A0A087YKK5_POEFO Loading...

Fasciculation and elongation protein zeta 1 (zygin I)

AlphaFold DB , UniProt , Accession A0A087YKK5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 402 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
1M40Very low41.8Very low253 Ų253159.8 Ų159.8100%1.24687%0.868SS**  0115.20-78.1168.7-153.400105.6
2E40.8Very low41.6Very low194 Ų194161.3 Ų161.391%0.90786%0.86SS**PPolyproline II helixtrans-93.4139.2-161.7-164.2168.2-170.400108.8
3A40.7Very low41.9Very low92 Ų92163 Ų16376%0.7686%0.86SS**PPolyproline II helixtrans-74.7137.3-176.400000111.4
4P49.4Very low41.7Very low121 Ų121160.8 Ų160.879%0.78685%0.849SS**PPolyproline II helixtrans-87.8125.9168.6-3.122.2000111.4
5L45.5Very low41.5Very low170 Ų170159.5 Ų159.589%0.8984%0.842SS**PPolyproline II helixtrans-57139.7162.5-63157.1000110.1
6V37.4Very low41.3Very low142 Ų142163.6 Ų163.686%0.86184%0.842SS**  trans-129.1134.3167.4179.60000110.2
7C37.2Very low41.4Very low106 Ų106160.1 Ų160.172%0.71683%0.833SS**  trans-74.5154.6-163.7-56.20000114
8L38.9Very low40.5Very low163 Ų163158.1 Ų158.185%0.85383%0.833SS**  trans-78.2119.4159.8-64.2167.3000107.7
9D43.5Very low40.1Very low160 Ų160161.6 Ų161.686%0.85683%0.834SS**  trans-105.9106.4160.2-74.8-32.8000107.4
10E44.3Very low39.7Very low176 Ų176162.8 Ų162.882%0.82284%0.838SS**  trans-75.1113.3166.6-65.4173.1135.400108.2
11E42.1Very low39.3Very low181 Ų181161.5 Ų161.585%0.84683%0.832SS**  trans-114.5102.6161.9-116.7175.7-17800109.4
12F38.8Very low38.9Very low178 Ų178157.2 Ų157.278%0.78181%0.809SS**  trans-77.1119.1165.8-109.8-103.9000108.2
13E45.8Very low38.3Very low183 Ų183154.9 Ų154.986%0.85580%0.798SS**  trans-108.999164.4-85.4174.614800110.7
14D39.8Very low37.7Very low132 Ų132156.5 Ų156.571%0.70679%0.794SS**  trans-73.1117.5173.9-104.1-28.5000112
15L38.3Very low36.7Very low141 Ų141160.3 Ų160.374%0.73880%0.801SS**  44.7105127.9-74.8173.1000121.7
16R38Very low35.9Very low225 Ų225157.1 Ų157.185%0.84979%0.793SS**  trans90.4174.4134-50.3-153.3-60.8172.1-3.7119.2
17P42.5Very low35.8Very low105 Ų105154.5 Ų154.568%0.68278%0.781SS**  -133.2145.7-68.735.9-20000113.2
18C26.6Very low35.6Very low124 Ų124160.5 Ų160.584%0.83879%0.79SS**  trans-151.6112.6171.4-98.80000116.1
19R32.2Very low35.1Very low224 Ų224157.3 Ų157.385%0.84578%0.782SS**  trans46.1123.6133.9-53.5-160.5176-109.6-2.8120.9
20M31.7Very low34.6Very low186 Ų186155.7 Ų155.792%0.91678%0.783SS**  trans-102.3125.2156.6-90.3-92.2120.400108.4
21D31.2Very low34Very low135 Ų135153 Ų15372%0.72278%0.778SS**  trans-137.7135.1158.9-92.5-49.5000108.9
22E32.3Very low33.4Very low164 Ų164151 Ų15177%0.76678%0.779SS**  trans5.5134.9168.1-70.4171.677.200121.7
23Q27.9Very low33.1Very low144 Ų144147.9 Ų147.967%0.67377%0.774SS**  -178.9132.1104-156.271.44800113.6
24D28.8Very low32.2Very low127 Ų127145 Ų14568%0.67977%0.769SS**  trans-3.1141161.9-60.9-46.4000123.3
25H27.9Very low31.7Very low200 Ų200144.2 Ų144.293%0.92677%0.769SS**  trans-129.5123.8146.2-78.7-57000113
26S29.6Very low31.3Very low104 Ų104143.4 Ų143.473%0.72777%0.77SS**  trans-86.5133.8169.3-179.30000111.5
27S33.8Very low31.1Very low87 Ų87140.6 Ų140.661%0.60877%0.77SS**  trans18.8128.3143.8-30.50000120.1
28Y32.8Very low30.8Very low232 Ų232141.6 Ų141.691%0.9178%0.777SS**  172.6149.3103.5-89.2-70.5000112.8
29S30.3Very low31.1Very low96 Ų96144 Ų14467%0.67178%0.781SS**  trans-73.4151.3-170.1176.30000115.8
30S31.1Very low31.4Very low126 Ų126137.8 Ų137.888%0.88178%0.777SS**  trans-161.4137.1138.5-80.30000112.2
31V31.9Very low31.5Very low120 Ų120133.9 Ų133.973%0.72777%0.768SS**  trans-97.2141.6-172.2177.20000110.6
32T30.7Very low32Very low139 Ų139135.2 Ų135.285%0.85377%0.774SS**  trans-148130.7150-41.60000109.8
33T32.1Very low32.2Very low111 Ų111131.6 Ų131.668%0.68176%0.763SS**  trans-71.3154-179.148.50000111.3
34T27.3Very low33.2Very low123 Ų123136 Ų13676%0.75577%0.773SS**  -179.3148.371.4-36.90000111.1
35T29.3Very low33.8Very low115 Ų115136.5 Ų136.571%0.70677%0.771SS**  trans88.180.5151.8-40.60000121.4
36T29.8Very low34.5Very low124 Ų124133.4 Ų133.476%0.76176%0.762SS**  32.4111.8127.861.60000122.7
37I34.2Very low35Very low166 Ų166136.2 Ų136.285%0.85176%0.761SS**  -145.5129122.6-56.1-176000106.8
38P36.5Very low35.7Very low127 Ų127136.6 Ų136.683%0.82576%0.764SS**PPolyproline II helixtrans-88120.1-178.832.1-27.4000111.3
39L32.8Very low36.7Very low175 Ų175133 Ų13392%0.91676%0.755SS**PPolyproline II helixtrans-100.2126.3161.2-16863.9000108.1
40A37.2Very low37.5Very low92 Ų92134.7 Ų134.776%0.7676%0.756SS**PPolyproline II helixtrans-58.6136.7-176.500000111.8I42A40-I42 PolarHBondContact O-N 3.46Å
41S35.3Very low38.5Very low105 Ų105136 Ų13673%0.73475%0.748SS**PPolyproline II helixtrans-64.7118.6169.146.20000110.8T43S41-T43 PolarHBondContact O-N 3.4Å
42I40.1Very low39.4Very low163 Ų163135.8 Ų135.884%0.83674%0.743SS**PPolyproline II helixtrans-65.4119.6165.2-65.5168.8000107.5A40A40-I42 PolarHBondContact O-N 3.46Å
43T38Very low40.1Very low88 Ų88136.4 Ų136.454%0.5473%0.734SS.*PPolyproline II helixtrans-78.6151.5178.544.90000111.6S41 E45S41-T43 PolarHBondContact O-N 3.4Å; T43-E45 VanDerWaalsContact C-N 3.28Å; T43-E45 WeakPolarHBondContact CB-OE2 3.47Å; T43-E45 PolarHBondContact O-N 3.48Å; T43-E45 PolarHBondContact OG1-OE2 2.99Å
44R47.3Very low40.8Very low237 Ų237135.4 Ų135.489%0.89473%0.732SS**THydrogen-bonded Turntrans-80.763.1-171.2-169.2-169.3175.1-173-1.7111.3
45E42.7Very low41.7Very low136 Ų136136.6 Ų136.664%0.63673%0.729SS**THydrogen-bonded Turntrans-114.9-12.3174-74.5125.5176.100113.3T43 F47T43-E45 VanDerWaalsContact C-N 3.28Å; T43-E45 WeakPolarHBondContact CB-OE2 3.47Å; T43-E45 PolarHBondContact O-N 3.48Å; T43-E45 PolarHBondContact OG1-OE2 2.99Å; E45-F47 VanDerWaalsContact C-N 3.29Å; E45-F47 PolarHBondContact O-N 2.95Å
46D41.2Very low42.6Very low136 Ų136139.6 Ų139.673%0.72774%0.737SS**THydrogen-bonded Turntrans-79.62.4-174-117.512000115.8
47F41.3Very low43.7Very low163 Ų163141.9 Ų141.972%0.71574%0.741SS**THydrogen-bonded Turntrans-103.8-2.8-178-77.3-84.6000114.1E45E45-F47 VanDerWaalsContact C-N 3.29Å; E45-F47 PolarHBondContact O-N 2.95Å
48S49Very low44.8Very low95 Ų95137.2 Ų137.266%0.66472%0.723SS**SBendtrans-83-15.7-178.2-610000114.3
49E53.2Low45.6Very low155 Ų155140.6 Ų140.672%0.72473%0.725SS**Hα-helixtrans-81.3-21.3-179.5-66.4-170.3164.700113.5
50L46.2Very low47Very low132 Ų132138.2 Ų138.269%0.69171%0.707SS**Hα-helixtrans-80.7-20.9-176.4-156.765.9000113.1
51E52.4Low48.7Very low154 Ų154137.2 Ų137.272%0.7270%0.695SS**Hα-helixtrans-74.2-31.1176.4-136.6117.6-151.600111.5F53 S54 E55E51-F53 VanDerWaalsContact C-N 3.33Å; E51-F53 PolarHBondContact O-N 2.5Å; E51-S54 PolarHBondContact O-N 3.11Å; E51-E55 PolarHBondContact O-N 3.13Å
52N51Low50.8Low115 Ų115139.5 Ų139.562%0.61570%0.696SS**Hα-helixtrans-71.7-25.4179.7-161.350.5000112.9
53F44.5Very low52.7Low152 Ų152137.3 Ų137.367%0.66768%0.682SS**Hα-helixtrans-75-27.6174.4-96.2-86.9000113E51E51-F53 VanDerWaalsContact C-N 3.33Å; E51-F53 PolarHBondContact O-N 2.5Å
54S48.5Very low54.9Low91 Ų91137.1 Ų137.164%0.63668%0.678SS**Hα-helixtrans-81.2-21.3179.1-1520000112.7E51E51-S54 PolarHBondContact O-N 3.11Å
55E45.3Very low56.7Low148 Ų148130.4 Ų130.469%0.69266%0.659SS**Hα-helixtrans-81.1-31.9177.4-163.8160.4-163.600112.4E51 M57 S58E51-E55 PolarHBondContact O-N 3.13Å; E55-M57 VanDerWaalsContact C-N 3.32Å; E55-M57 PolarHBondContact O-N 3.4Å; E55-S58 PolarHBondContact O-N 3.35Å
56M47.8Very low58.7Low177 Ų177127.9 Ų127.987%0.87265%0.653SS**THydrogen-bonded Turntrans-73.1-18.4178.7-155.985.2133.100114.2
57M53.2Low60.7Low173 Ų173125.3 Ų125.385%0.85264%0.639SS**THydrogen-bonded Turntrans-95.44.8176.7-72.2-148.5-151.700113.8E55E55-M57 VanDerWaalsContact C-N 3.32Å; E55-M57 PolarHBondContact O-N 3.4Å
58S57Low62.7Low67 Ų67120.8 Ų120.847%0.46962%0.62SS.*SBendtrans-115.7115.9-178.6-159.90000110.4E55E55-S58 PolarHBondContact O-N 3.35Å
59F53.9Low64.3Low199 Ų199122.4 Ų122.487%0.87362%0.616SS**SBendtrans84.264.4174.2-52.9-79.5000118.8
60K61.9Low65.7Low124 Ų124119.5 Ų119.554%0.53961%0.605SS.*  trans-155.2126136.6-114.4173.6178.3179.30108.7D64 L65 E68K60-D64 HydrophobicContact CG-CB 4Å; K60-L65 HydrophobicContact CB-CD1 4.31Å; K60-E68 IonicContact NZ-OE2 3.75Å; K60-E68 PolarHBondContact NZ-OE2 3.13Å
61S72.9Confident67.4Low72 Ų72119.9 Ų119.950%0.50360%0.603SS.*  trans-63.4147.9175.6-177.20000109E63 D64 L65S61-E63 PolarHBondContact O-N 3.41Å; S61-D64 WeakPolarHBondContact O-CB 3.02Å; S61-D64 PolarHBondContact O-N 2.77Å; S61-L65 PolarHBondContact O-N 2.78Å
62M79.9Confident68.7Low153 Ų153118.2 Ų118.275%0.75459%0.594SS**Hα-helixtrans-50.5-33.7173.7-170.185.382.100111.5L65 V66M62-L65 PolarHBondContact O-N 3.26Å; M62-V66 WeakPolarHBondContact O-CG2 3.35Å; M62-V66 PolarHBondContact O-N 3.47Å; M62-V66 VanDerWaalsContact O-N 3.09Å
63E80.1Confident70.1Confident117 Ų117115.2 Ų115.255%0.54758%0.577SS.*Hα-helixtrans-61.5-40.6175.1-172.460.6-14900112.6S61 V66 N67S61-E63 PolarHBondContact O-N 3.41Å; E63-V66 PolarHBondContact O-N 3.43Å; E63-N67 WeakPolarHBondContact O-CB 3.34Å; E63-N67 VanDerWaalsContact O-CG 3.28Å; E63-N67 PolarHBondContact O-N 3.07Å; E63-N67 PolarHBondContact O-ND2 3.4Å; E63-N67 PolarHBondContact OE1-ND2 3.5Å
64D82.9Confident71.8Confident83 Ų83112.1 Ų112.144%0.44457%0.568SS.*Hα-helixtrans-72-32.7179.7-65.1-35.2000111.8K60 S61 E68K60-D64 HydrophobicContact CG-CB 4Å; S61-D64 WeakPolarHBondContact O-CB 3.02Å; S61-D64 PolarHBondContact O-N 2.77Å; D64-E68 WeakPolarHBondContact O-CB 3.41Å; D64-E68 PolarHBondContact O-N 2.82Å
65L85.8Confident73.1Confident97 Ų97112.7 Ų112.751%0.50857%0.567SS.*Hα-helixtrans-66.6-43.4173.9-91.4133.7000111.9K60 S61 M62 F69K60-L65 HydrophobicContact CB-CD1 4.31Å; S61-L65 PolarHBondContact O-N 2.78Å; M62-L65 PolarHBondContact O-N 3.26Å; L65-F69 WeakPolarHBondContact O-CB 3.2Å; L65-F69 PolarHBondContact O-N 3.21Å; L65-F69 VanDerWaalsContact O-N 3.08Å
66V84Confident74.2Confident83 Ų83110.2 Ų110.250%0.50357%0.565SS.*Hα-helixtrans-67.2-41.6177.6173.60000110.6M62 E63 F69 D70M62-V66 WeakPolarHBondContact O-CG2 3.35Å; M62-V66 PolarHBondContact O-N 3.47Å; M62-V66 VanDerWaalsContact O-N 3.09Å; E63-V66 PolarHBondContact O-N 3.43Å; V66-F69 WeakPolarHBondContact O-CB 3.47Å; V66-F69 PolarHBondContact O-N 2.79Å; V66-D70 PolarHBondContact O-N 3.3Å
67N83.1Confident75.3Confident82 Ų82107.8 Ų107.844%0.43955%0.55SS..Hα-helixtrans-66.5-39.8177.6-74.5-47.3000112.6E63 F69 D70 E71E63-N67 WeakPolarHBondContact O-CB 3.34Å; E63-N67 VanDerWaalsContact O-CG 3.28Å; E63-N67 PolarHBondContact O-N 3.07Å; E63-N67 PolarHBondContact O-ND2 3.4Å; E63-N67 PolarHBondContact OE1-ND2 3.5Å; N67-F69 VanDerWaalsContact C-N 3.3Å; N67-F69 PolarHBondContact O-N 3.46Å; N67-D70 PolarHBondContact O-N 2.89Å; N67-E71 WeakPolarHBondContact O-CB 3.43Å; N67-E71 PolarHBondContact O-N 3.09Å
68E84.7Confident75.5Confident68 Ų68106.6 Ų106.632%0.31854%0.542SS..Hα-helixtrans-64.3-36.3174.3-170.6-174.8148.300111.9K60 D64 K72K60-E68 IonicContact NZ-OE2 3.75Å; K60-E68 PolarHBondContact NZ-OE2 3.13Å; D64-E68 WeakPolarHBondContact O-CB 3.41Å; D64-E68 PolarHBondContact O-N 2.82Å; E68-K72 WeakPolarHBondContact O-CG 3.35Å; E68-K72 PolarHBondContact O-N 2.59Å; E68-K72 VanDerWaalsContact O-N 3.08Å; E68-K72 IonicContact OE1-NZ 3.61Å; E68-K72 PolarHBondContact OE1-NZ 2.82Å
69F82.3Confident75.5Confident129 Ų129107.9 Ų107.957%0.56654%0.544SS*.Hα-helixtrans-66.8-45.1175.7-179.6-103000111.8L65 V66 N67 K72 L73L65-F69 WeakPolarHBondContact O-CB 3.2Å; L65-F69 PolarHBondContact O-N 3.21Å; L65-F69 VanDerWaalsContact O-N 3.08Å; V66-F69 WeakPolarHBondContact O-CB 3.47Å; V66-F69 PolarHBondContact O-N 2.79Å; N67-F69 VanDerWaalsContact C-N 3.3Å; N67-F69 PolarHBondContact O-N 3.46Å; F69-K72 WeakPolarHBondContact O-CB 3.47Å; F69-K72 PolarHBondContact O-N 3.43Å; F69-L73 HydrophobicContact CD1-CD1 4.01Å; F69-L73 HydrophobicContact CD1-CG 4.41Å; F69-L73 HydrophobicContact CE1-CD1 3.47Å; F69-L73 VanDerWaalsContact CE1-CD1 3.47Å; F69-L73 HydrophobicContact CE1-CG 4.04Å; F69-L73 HydrophobicContact CZ-CD1 3.98Å; F69-L73 HydrophobicContact CZ-CD2 4.31Å; F69-L73 HydrophobicContact CZ-CG 4.19Å; F69-L73 PolarHBondContact O-N 3.37Å
70D81.8Confident75.9Confident94 Ų94106.1 Ų106.150%0.50353%0.532SS..Hα-helixtrans-68.4-35.9179.8-153.443000111.7V66 N67 K72 L73 N74V66-D70 PolarHBondContact O-N 3.3Å; N67-D70 PolarHBondContact O-N 2.89Å; D70-K72 PolarHBondContact O-N 3.47Å; D70-L73 PolarHBondContact O-N 2.99Å; D70-N74 WeakPolarHBondContact O-CB 3.5Å; D70-N74 PolarHBondContact O-N 2.78Å
71E81.8Confident75.8Confident140 Ų140107.3 Ų107.365%0.65455%0.545SS*.Hα-helixtrans-62.6-41.6172.3-166.2174.4-16900111.4N67 N74 V75N67-E71 WeakPolarHBondContact O-CB 3.43Å; N67-E71 PolarHBondContact O-N 3.09Å; E71-N74 PolarHBondContact O-N 3.32Å; E71-V75 VanDerWaalsContact O-CG2 3.32Å; E71-V75 WeakPolarHBondContact O-CG2 3.31Å; E71-V75 PolarHBondContact O-N 3.23Å
72K80.8Confident75.2Confident119 Ų119107.6 Ų107.652%0.51754%0.543SS..Hα-helixtrans-62.5-43.7172.8-82.5172.3179.7157.10112.2E68 F69 D70 N74 V75 C76E68-K72 WeakPolarHBondContact O-CG 3.35Å; E68-K72 PolarHBondContact O-N 2.59Å; E68-K72 VanDerWaalsContact O-N 3.08Å; E68-K72 IonicContact OE1-NZ 3.61Å; E68-K72 PolarHBondContact OE1-NZ 2.82Å; F69-K72 WeakPolarHBondContact O-CB 3.47Å; F69-K72 PolarHBondContact O-N 3.43Å; D70-K72 PolarHBondContact O-N 3.47Å; K72-N74 VanDerWaalsContact C-N 3.31Å; K72-N74 PolarHBondContact O-N 3.43Å; K72-V75 PolarHBondContact O-N 2.95Å; K72-C76 PolarHBondContact O-N 3.22Å; K72-C76 PolarHBondContact O-SG 2.92Å
73L80.1Confident74.2Confident52 Ų52109.1 Ų109.127%0.27255%0.546SS..Hα-helixtrans-61-42.6175.2-72.9-178.1000111.5F69 D70 V75 C76 F77F69-L73 HydrophobicContact CD1-CD1 4.01Å; F69-L73 HydrophobicContact CD1-CG 4.41Å; F69-L73 HydrophobicContact CE1-CD1 3.47Å; F69-L73 VanDerWaalsContact CE1-CD1 3.47Å; F69-L73 HydrophobicContact CE1-CG 4.04Å; F69-L73 HydrophobicContact CZ-CD1 3.98Å; F69-L73 HydrophobicContact CZ-CD2 4.31Å; F69-L73 HydrophobicContact CZ-CG 4.19Å; F69-L73 PolarHBondContact O-N 3.37Å; D70-L73 PolarHBondContact O-N 2.99Å; L73-V75 VanDerWaalsContact C-N 3.31Å; L73-V75 PolarHBondContact O-N 3.03Å; L73-C76 PolarHBondContact O-N 3.26Å; L73-F77 HydrophobicContact CD2-CD2 4.13Å; L73-F77 HydrophobicContact CD2-CE2 3.91Å; L73-F77 WeakPolarHBondContact O-CD2 3.39Å; L73-F77 PolarHBondContact O-N 3.16Å
74N79.2Confident73.2Confident86 Ų86108.6 Ų108.646%0.4655%0.551SS.*Hα-helixtrans-67.4-33.3-179.8-130.514.3000112.1D70 E71 K72 H78D70-N74 WeakPolarHBondContact O-CB 3.5Å; D70-N74 PolarHBondContact O-N 2.78Å; E71-N74 PolarHBondContact O-N 3.32Å; K72-N74 VanDerWaalsContact C-N 3.31Å; K72-N74 PolarHBondContact O-N 3.43Å; N74-H78 WeakPolarHBondContact O-CA 3.47Å; N74-H78 PolarHBondContact O-N 3.41Å; N74-H78 PolarHBondContact O-ND1 3.19Å
75V75.9Confident72.1Confident103 Ų103112.7 Ų112.762%0.62457%0.567SS**Hα-helixtrans-68.4-41.1172.4171.10000111.5E71 K72 L73E71-V75 VanDerWaalsContact O-CG2 3.32Å; E71-V75 WeakPolarHBondContact O-CG2 3.31Å; E71-V75 PolarHBondContact O-N 3.23Å; K72-V75 PolarHBondContact O-N 2.95Å; L73-V75 VanDerWaalsContact C-N 3.31Å; L73-V75 PolarHBondContact O-N 3.03Å
76C69.8Low70.8Confident96 Ų96111.3 Ų111.365%0.64958%0.576SS**Hα-helixtrans-73.6-37.9-179.1-69.30000113.7K72 L73K72-C76 PolarHBondContact O-N 3.22Å; K72-C76 PolarHBondContact O-SG 2.92Å; L73-C76 PolarHBondContact O-N 3.26Å
77F69.7Low69.6Low127 Ų127114.1 Ų114.156%0.55759%0.588SS**THydrogen-bonded Turntrans-11328.3-171.5-62.1-74.3000113L73 N79L73-F77 HydrophobicContact CD2-CD2 4.13Å; L73-F77 HydrophobicContact CD2-CE2 3.91Å; L73-F77 WeakPolarHBondContact O-CD2 3.39Å; L73-F77 PolarHBondContact O-N 3.16Å; F77-N79 PolarHBondContact O-N 3.1Å
78H57.5Low67.9Low147 Ų147113.5 Ų113.568%0.68159%0.594SS**  trans-40108.5-177.5-122.268.1000110.8N74N74-H78 WeakPolarHBondContact O-CA 3.47Å; N74-H78 PolarHBondContact O-N 3.41Å; N74-H78 PolarHBondContact O-ND1 3.19Å
79N57.9Low66.2Low95 Ų95115.7 Ų115.751%0.50861%0.614SS.*  trans88.277.1170.3-141.9-25.6000116.9F77 N81 T82F77-N79 PolarHBondContact O-N 3.1Å; N79-N81 PolarHBondContact O-N 2.95Å; N79-T82 HydrophobicContact CB-CG2 3.74Å; N79-T82 PolarHBondContact O-N 3Å; N79-T82 VanDerWaalsContact O-N 3.09Å; N79-T82 PolarHBondContact O-OG1 3.36Å
80Y61.9Low64.7Low161 Ų161117 Ų11763%0.63163%0.625SS**THydrogen-bonded Turntrans-53.2-13.9171.1-60.8-82.2000115.7
81N59.3Low63.5Low150 Ų150120 Ų12080%0.80263%0.629SS**THydrogen-bonded Turntrans-108.29.1-178.5-81.8-41.1000114N79 K83N79-N81 PolarHBondContact O-N 2.95Å; N81-K83 PolarHBondContact O-N 3.32Å
82T61Low62.1Low77 Ų77119.2 Ų119.247%0.47263%0.63SS.*SBendtrans-73.6124.217541.90000110.8N79 T84N79-T82 HydrophobicContact CB-CG2 3.74Å; N79-T82 PolarHBondContact O-N 3Å; N79-T82 VanDerWaalsContact O-N 3.09Å; N79-T82 PolarHBondContact O-OG1 3.36Å; T82-T84 PolarHBondContact O-N 3.25Å
83K59.1Low60.8Low185 Ų185121.9 Ų121.980%0.80464%0.644SS**  trans-62119.8179.9-65.2-179.8179.4-178.80109.6N81 E85N81-K83 PolarHBondContact O-N 3.32Å; K83-E85 PolarHBondContact O-N 3.41Å; K83-E85 VanDerWaalsContact O-N 3.16Å
84T58.9Low59.6Low106 Ų106124.1 Ų124.165%0.6566%0.66SS**G310 helixtrans-72-2.1-175.649.10000114.6T82 G86 L87T82-T84 PolarHBondContact O-N 3.25Å; T84-G86 PolarHBondContact O-N 3Å; T84-G86 VanDerWaalsContact O-N 3.12Å; T84-L87 PolarHBondContact O-N 3.4Å; T84-L87 VanDerWaalsContact O-N 3.12Å
85E59.5Low58.3Low170 Ų170123 Ų12379%0.79465%0.652SS**G310 helixtrans-62.3-19.5-177.4-155.3175-167.100113.7K83K83-E85 PolarHBondContact O-N 3.41Å; K83-E85 VanDerWaalsContact O-N 3.16Å
86G58.9Low57.4Low68 Ų68121.6 Ų121.670%0.70165%0.647SS**G310 helixtrans-98.5-6.4176.700000115.8T84T84-G86 PolarHBondContact O-N 3Å; T84-G86 VanDerWaalsContact O-N 3.12Å
87L58.5Low56.8Low142 Ų142123.2 Ų123.274%0.74365%0.645SS**THydrogen-bonded Turntrans-95.9-22.4-172.8-64174.1000113T84T84-L87 PolarHBondContact O-N 3.4Å; T84-L87 VanDerWaalsContact O-N 3.12Å
88A48.5Very low56.3Low69 Ų69123 Ų12357%0.5765%0.646SS**SBendtrans-152.297.417300000109.5I90A88-I90 PolarHBondContact O-N 3.44Å; A88-I90 VanDerWaalsContact O-N 3.07Å
89P48.9Very low56.5Low113 Ų113119 Ų11973%0.73463%0.629SS**  trans-60.6114.1172-20.432.2000109R91P89-R91 PolarHBondContact O-N 2.77Å
90I50.5Low56.6Low156 Ų156121.1 Ų121.180%0.864%0.636SS**  trans-66.3107.5173.8-53.3174.8000106.5A88 N92A88-I90 PolarHBondContact O-N 3.44Å; A88-I90 VanDerWaalsContact O-N 3.07Å; I90-N92 PolarHBondContact O-N 3.23Å
91R56Low56.6Low157 Ų157119.5 Ų119.559%0.59263%0.634SS**  trans-59.9124173.7-90.7165.163.7151.4-11108P89 H95 D99P89-R91 PolarHBondContact O-N 2.77Å; R91-H95 PolarHBondContact NE-CD2 3.49Å; R91-H95 PolarHBondContact NH2-CD2 3.35Å; R91-H95 PolarHBondContact NH2-CE1 2.95Å; R91-H95 PolarHBondContact NH2-NE2 3.42Å; R91-D99 IonicContact NH2-OD2 3.92Å; R91-D99 PolarHBondContact NH2-OD2 3.45Å
92N52.2Low56.6Low125 Ų125120.5 Ų120.567%0.66863%0.627SS**  trans-63.2146.9-179-65.9-44.1000110.9I90 T94 H95I90-N92 PolarHBondContact O-N 3.23Å; N92-T94 PolarHBondContact O-N 3.46Å; N92-H95 PolarHBondContact O-N 3.5Å
93Q53.5Low56.4Low174 Ų174121.3 Ų121.381%0.81363%0.628SS**Hα-helixtrans-50.3-22.1-175-145.3167.238.300115.1H95Q93-H95 VanDerWaalsContact C-N 3.32Å; Q93-H95 PolarHBondContact O-N 3.04Å
94T55.6Low56.4Low99 Ų99120 Ų12061%0.60762%0.624SS**Hα-helixtrans-67.6-29176.147.20000113.3N92N92-T94 PolarHBondContact O-N 3.46Å
95H51.3Low56.4Low64 Ų64121.9 Ų121.930%0.29663%0.631SS.*Hα-helixtrans-75.8-31.6-179.9-162.8-7000112.1R91 N92 Q93 Q97 E98 D99R91-H95 PolarHBondContact NE-CD2 3.49Å; R91-H95 PolarHBondContact NH2-CD2 3.35Å; R91-H95 PolarHBondContact NH2-CE1 2.95Å; R91-H95 PolarHBondContact NH2-NE2 3.42Å; N92-H95 PolarHBondContact O-N 3.5Å; Q93-H95 VanDerWaalsContact C-N 3.32Å; Q93-H95 PolarHBondContact O-N 3.04Å; H95-Q97 VanDerWaalsContact C-N 3.29Å; H95-Q97 PolarHBondContact O-N 2.87Å; H95-E98 PolarHBondContact O-N 3.38Å; H95-D99 IonicContact CE1-OD1 3.69Å; H95-D99 IonicContact CE1-OD2 2.85Å; H95-D99 IonicContact ND1-OD1 3.5Å; H95-D99 IonicContact ND1-OD2 2.71Å; H95-D99 PolarHBondContact ND1-OD2 2.99Å; H95-D99 PolarHBondContact O-N 3.16Å
96S56Low56.6Low73 Ų73118.5 Ų118.551%0.5162%0.615SS.*Hα-helixtrans-65.6-32.8177.9-53.10000112.6E100S96-E100 WeakPolarHBondContact O-CB 3.07Å; S96-E100 PolarHBondContact O-N 3.37Å
97Q57.3Low56.8Low129 Ų129121.8 Ų121.860%0.60362%0.616SS**Hα-helixtrans-73.5-36.3180-170169.68.200112.4H95 E100 E101H95-Q97 VanDerWaalsContact C-N 3.29Å; H95-Q97 PolarHBondContact O-N 2.87Å; Q97-E100 PolarHBondContact O-N 3.01Å; Q97-E101 PolarHBondContact O-N 2.97Å; Q97-E101 VanDerWaalsContact O-N 3.1Å
98E60.2Low57.2Low124 Ų124119.9 Ų119.958%0.57961%0.61SS**Hα-helixtrans-70.3-34.8175.6-67.2177.4-178.900112.2H95 E100 R102H95-E98 PolarHBondContact O-N 3.38Å; E98-E100 VanDerWaalsContact C-N 3.34Å; E98-R102 WeakPolarHBondContact O-CB 3.29Å; E98-R102 PolarHBondContact O-N 2.89Å; E98-R102 VanDerWaalsContact O-N 3.09Å
99D60.9Low58.1Low62 Ų62122 Ų12233%0.33260%0.604SS.*Hα-helixtrans-69.6-32.9175.5-67.7-29.3000111R91 H95 L103R91-D99 IonicContact NH2-OD2 3.92Å; R91-D99 PolarHBondContact NH2-OD2 3.45Å; H95-D99 IonicContact CE1-OD1 3.69Å; H95-D99 IonicContact CE1-OD2 2.85Å; H95-D99 IonicContact ND1-OD1 3.5Å; H95-D99 IonicContact ND1-OD2 2.71Å; H95-D99 PolarHBondContact ND1-OD2 2.99Å; H95-D99 PolarHBondContact O-N 3.16Å; D99-L103 WeakPolarHBondContact O-CB 2.81Å; D99-L103 WeakPolarHBondContact O-CD1 3.28Å; D99-L103 WeakPolarHBondContact O-CG 3.5Å; D99-L103 PolarHBondContact O-N 2.96Å; D99-L103 VanDerWaalsContact O-N 3.09Å
100E61.3Low59Low140 Ų140121.6 Ų121.665%0.65460%0.595SS**Hα-helixtrans-73.2-41.7177.4-160.1171.4-161.800112.5S96 Q97 E98 L103 Q104S96-E100 WeakPolarHBondContact O-CB 3.07Å; S96-E100 PolarHBondContact O-N 3.37Å; Q97-E100 PolarHBondContact O-N 3.01Å; E98-E100 VanDerWaalsContact C-N 3.34Å; E100-L103 PolarHBondContact O-N 2.84Å; E100-Q104 PolarHBondContact O-N 3.37Å
101E61.3Low60.1Low126 Ų126117.8 Ų117.859%0.58959%0.587SS**Hα-helixtrans-63.5-40.2171.7-92-176.7167.400111.8Q97 L103 Q104Q97-E101 PolarHBondContact O-N 2.97Å; Q97-E101 VanDerWaalsContact O-N 3.1Å; E101-L103 VanDerWaalsContact C-N 3.34Å; E101-L103 PolarHBondContact O-N 2.77Å; E101-Q104 PolarHBondContact O-N 2.87Å
102R58.4Low60.8Low172 Ų172115.7 Ų115.765%0.64959%0.587SS**Hα-helixtrans-66-35.7176.9-88.1-175.266.6152.61.1113.5E98 Q104 E106E98-R102 WeakPolarHBondContact O-CB 3.29Å; E98-R102 PolarHBondContact O-N 2.89Å; E98-R102 VanDerWaalsContact O-N 3.09Å; R102-Q104 VanDerWaalsContact C-N 3.3Å; R102-E106 WeakPolarHBondContact O-CG 3.45Å
103L58.4Low61.5Low93 Ų93111.4 Ų111.449%0.48757%0.565SS.*Hα-helixtrans-68.6-35.1177.6-76166.5000110.5D99 E100 E101 D105 E106D99-L103 WeakPolarHBondContact O-CB 2.81Å; D99-L103 WeakPolarHBondContact O-CD1 3.28Å; D99-L103 WeakPolarHBondContact O-CG 3.5Å; D99-L103 PolarHBondContact O-N 2.96Å; D99-L103 VanDerWaalsContact O-N 3.09Å; E100-L103 PolarHBondContact O-N 2.84Å; E101-L103 VanDerWaalsContact C-N 3.34Å; E101-L103 PolarHBondContact O-N 2.77Å; L103-D105 PolarHBondContact O-N 3Å; L103-E106 PolarHBondContact O-N 3.19Å
104Q57.9Low61.9Low158 Ų158108.1 Ų108.174%0.73855%0.553SS**Hα-helixtrans-65.8-23.6-179.4-147.1162.642.600114E100 E101 R102E100-Q104 PolarHBondContact O-N 3.37Å; E101-Q104 PolarHBondContact O-N 2.87Å; R102-Q104 VanDerWaalsContact C-N 3.3Å
105D58.4Low62.1Low146 Ų146109.9 Ų109.978%0.78156%0.559SS**THydrogen-bonded Turntrans-91.1-3.5179.1-77.4-19.8000114.1L103L103-D105 PolarHBondContact O-N 3Å
106E64.5Low62.4Low98 Ų98115.5 Ų115.546%0.45858%0.579SS.*SBendtrans-87.5122-179.7-66.5-76.8162.800109.9R102 L103 V108 W109R102-E106 WeakPolarHBondContact O-CG 3.45Å; L103-E106 PolarHBondContact O-N 3.19Å; E106-V108 HydrophobicContact CB-CB 4.38Å; E106-V108 HydrophobicContact CB-CG2 4.48Å; E106-V108 PolarHBondContact O-N 3.05Å; E106-W109 PolarHBondContact O-N 3.1Å
107D62.3Low62.5Low138 Ų138117.4 Ų117.474%0.73858%0.582SS**Hα-helixtrans-49.8-14.8174.1-61-52.7000113.7A111D107-A111 WeakPolarHBondContact O-CB 3.44Å; D107-A111 PolarHBondContact O-N 3.43Å
108V68.3Low62.5Low101 Ų101115.2 Ų115.261%0.61258%0.581SS**Hα-helixtrans-66-36.5173.4-176.20000112.3E106 A111 L112E106-V108 HydrophobicContact CB-CB 4.38Å; E106-V108 HydrophobicContact CB-CG2 4.48Å; E106-V108 PolarHBondContact O-N 3.05Å; V108-A111 PolarHBondContact O-N 3.22Å; V108-L112 WeakPolarHBondContact O-CB 3.23Å; V108-L112 PolarHBondContact O-N 3.26Å
109W66.8Low61.9Low115 Ų115114.4 Ų114.444%0.43659%0.585SS.*Hα-helixtrans-71.5-39.3178.6-100.8108.6000112.1E106 L112 T113E106-W109 PolarHBondContact O-N 3.1Å; W109-L112 HydrophobicContact CE3-CD2 4.11Å; W109-L112 HydrophobicContact CH2-CD2 4.29Å; W109-L112 HydrophobicContact CZ3-CD2 3.82Å; W109-L112 PolarHBondContact O-N 3.48Å; W109-T113 HydrophobicContact CE3-CG2 3.71Å; W109-T113 HydrophobicContact CZ3-CG2 3.92Å; W109-T113 WeakPolarHBondContact O-CB 3.32Å; W109-T113 WeakPolarHBondContact O-CG2 3.26Å; W109-T113 PolarHBondContact O-N 3.35Å; W109-T113 PolarHBondContact O-OG1 3.36Å
110D68.3Low61.5Low104 Ų104122.1 Ų122.156%0.55661%0.609SS**Hα-helixtrans-62.7-46.8171.1-75.7-14.7000110L112 T113 D114D110-L112 VanDerWaalsContact C-N 3.29Å; D110-L112 PolarHBondContact O-N 2.87Å; D110-T113 PolarHBondContact O-N 3.39Å; D110-T113 VanDerWaalsContact O-N 3.15Å; D110-D114 VanDerWaalsContact O-CB 3.25Å; D110-D114 WeakPolarHBondContact O-CB 3.38Å; D110-D114 PolarHBondContact O-N 2.92Å
111A73.4Confident60.7Low76 Ų76121.9 Ų121.963%0.62861%0.613SS**Hα-helixtrans-61.3-32.8176.800000114.2D107 V108D107-A111 WeakPolarHBondContact O-CB 3.44Å; D107-A111 PolarHBondContact O-N 3.43Å; V108-A111 PolarHBondContact O-N 3.22Å
112L71.2Confident59.7Low112 Ų112118.2 Ų118.259%0.58661%0.609SS**Hα-helixtrans-76.7-29.8178.2-174.263000112.3V108 W109 D110V108-L112 WeakPolarHBondContact O-CB 3.23Å; V108-L112 PolarHBondContact O-N 3.26Å; W109-L112 HydrophobicContact CE3-CD2 4.11Å; W109-L112 HydrophobicContact CH2-CD2 4.29Å; W109-L112 HydrophobicContact CZ3-CD2 3.82Å; W109-L112 PolarHBondContact O-N 3.48Å; D110-L112 VanDerWaalsContact C-N 3.29Å; D110-L112 PolarHBondContact O-N 2.87Å
113T65.5Low59.2Low36 Ų36116.3 Ų116.322%0.22162%0.619CS.*Hα-helixtrans-105-13.1-173.359.70000114.2W109 D110 N115 Y116 I117W109-T113 HydrophobicContact CE3-CG2 3.71Å; W109-T113 HydrophobicContact CZ3-CG2 3.92Å; W109-T113 WeakPolarHBondContact O-CB 3.32Å; W109-T113 WeakPolarHBondContact O-CG2 3.26Å; W109-T113 PolarHBondContact O-N 3.35Å; W109-T113 PolarHBondContact O-OG1 3.36Å; D110-T113 PolarHBondContact O-N 3.39Å; D110-T113 VanDerWaalsContact O-N 3.15Å; T113-N115 PolarHBondContact O-N 3.04Å; T113-N115 VanDerWaalsContact O-N 3.14Å; T113-Y116 WeakPolarHBondContact O-CA 3.38Å; T113-Y116 PolarHBondContact O-N 2.76Å; T113-I117 WeakPolarHBondContact O-CG1 3.38Å; T113-I117 PolarHBondContact O-N 2.79Å
114D63Low58.5Low104 Ų104119.9 Ų119.956%0.55664%0.639SS**Hα-helixtrans-55.7-35.7-178.4-125.37.1000112.8D110 S118D110-D114 VanDerWaalsContact O-CB 3.25Å; D110-D114 WeakPolarHBondContact O-CB 3.38Å; D110-D114 PolarHBondContact O-N 2.92Å; D114-S118 WeakPolarHBondContact O-CB 3.34Å; D114-S118 PolarHBondContact O-N 3.39Å; D114-S118 PolarHBondContact O-OG 3.12Å
115N59.7Low57.8Low137 Ų137116.9 Ų116.973%0.73364%0.635SS**Hα-helixtrans-76.3-24.1178.9-131.97.8000112.8T113 T119T113-N115 PolarHBondContact O-N 3.04Å; T113-N115 VanDerWaalsContact O-N 3.14Å; N115-T119 PolarHBondContact O-OG1 2.66Å
116Y57Low56.8Low182 Ų182119.3 Ų119.371%0.71464%0.642SS**Hα-helixtrans-89.7-31.1179.5-81.7-84.7000112.6T113T113-Y116 WeakPolarHBondContact O-CA 3.38Å; T113-Y116 PolarHBondContact O-N 2.76Å
117I58.9Low55.2Low112 Ų112118.1 Ų118.157%0.57466%0.656SS**Hα-helixtrans-82.4-38.3-176.2-63.2168.7000111.6T113 T119 W120T113-I117 WeakPolarHBondContact O-CG1 3.38Å; T113-I117 PolarHBondContact O-N 2.79Å; I117-T119 PolarHBondContact O-N 2.87Å; I117-T119 VanDerWaalsContact O-N 3.12Å; I117-W120 PolarHBondContact O-N 3.43Å
118S56.2Low53.8Low83 Ų83119.6 Ų119.658%0.5866%0.663SS**THydrogen-bonded Turntrans-65.9-15.6-178.8-56.10000114.6D114D114-S118 WeakPolarHBondContact O-CB 3.34Å; D114-S118 PolarHBondContact O-N 3.39Å; D114-S118 PolarHBondContact O-OG 3.12Å
119T49Very low52.1Low108 Ų108121.9 Ų121.966%0.66367%0.672SS**THydrogen-bonded Turntrans-86.3-18.5-175.1-57.10000112.9N115 I117N115-T119 PolarHBondContact O-OG1 2.66Å; I117-T119 PolarHBondContact O-N 2.87Å; I117-T119 VanDerWaalsContact O-N 3.12Å
120W50.7Low50.4Low223 Ų223119.7 Ų119.785%0.84569%0.685SS**THydrogen-bonded Turntrans-99.6-11.7-177.3-64.591.6000114.1I117 G122I117-W120 PolarHBondContact O-N 3.43Å; W120-G122 PolarHBondContact O-N 3.34Å
121D46.2Very low48.9Very low135 Ų135122 Ų12272%0.72270%0.697SS**SBendtrans-92.688.7171.3-132.44.5000108.7
122G39.5Very low46.9Very low50 Ų50126.2 Ų126.252%0.51571%0.708SS.*  trans-59.5156.7177.800000112.1W120 N124W120-G122 PolarHBondContact O-N 3.34Å; G122-N124 PolarHBondContact O-N 3.04Å
123P48.1Very low45.2Very low132 Ų132125.9 Ų125.986%0.85772%0.715SS**SBendtrans-75.878179.433-32.8000108.9
124N43.1Very low44.1Very low168 Ų168132.1 Ų132.190%0.89875%0.747SS**  trans-162.460.9167.6-99.4-14.5000110.4G122G122-N124 PolarHBondContact O-N 3.04Å
125S42.9Very low42.7Very low95 Ų95134.8 Ų134.866%0.66476%0.756SS**SBendtrans-142.3141.2149.3730000110
126E37.4Very low41.6Very low196 Ų196135.6 Ų135.692%0.91676%0.756SS**  trans89.894.2176.2-51.6-164.1139.600117.6
127G31Very low40.7Very low74 Ų74134.4 Ų134.476%0.76376%0.76SS**  trans-176.740.4172.900000118.9
128L33.6Very low39.2Very low168 Ų168136 Ų13688%0.8876%0.764SS**  trans70.1105.5146.2-132.281.1000120.2
129N33.8Very low38.6Very low150 Ų150139.5 Ų139.580%0.80277%0.772SS**  66121.1120.3-163.925000121.3
130G29.9Very low38Very low69 Ų69144.3 Ų144.371%0.71178%0.783SS**  trans16287.8155.800000115
131N37.7Very low37.4Very low151 Ų151143.2 Ų143.281%0.80779%0.788SS**  trans-43.5144.4165.8-67.8-78.8000113
132L31.3Very low37.1Very low166 Ų166146 Ų14687%0.86980%0.797SS**  trans179.5112135.1-91.2159.3000111.6
133S35.2Very low37.3Very low104 Ų104153 Ų15373%0.72782%0.815SS**  trans24.8134.9147.457.90000123.8
134D42.9Very low37Very low168 Ų168156.1 Ų156.190%0.89882%0.819SS**  trans-28.1122.8144.4-98.6-25.3000114.9
135H32.3Very low36.9Very low160 Ų160156.3 Ų156.374%0.74182%0.816SS**  trans-177.2120.3133-135.1-3.6000110.8
136E37Very low36.9Very low154 Ų154158.5 Ų158.572%0.7282%0.821SS**  trans50.4158.5130.9-155.4163.3173.100121.5
137I37.7Very low37.4Very low156 Ų156158 Ų15880%0.882%0.818SS**  trans96.890.5171.2-39149.7000113.3
138H28.7Very low38.2Very low145 Ų145164.4 Ų164.467%0.67183%0.825SS**  75.7121.567.7-149.5-87.1000113.7
139E42.3Very low38.8Very low157 Ų157163.1 Ų163.173%0.73482%0.819SS**  trans35.7100.6154.4-67.7174.617600118
140K37Very low39.4Very low209 Ų209164.8 Ų164.891%0.90982%0.822SS**  trans-17481.5146.4-109.6169-178-177.20111.3
141E37.6Very low39.7Very low200 Ų200168.5 Ų168.594%0.93583%0.826SS**SBendtrans-152.922155.3-141.6173-171.300112.7
142E40Very low40.2Very low195 Ų195166 Ų16691%0.91183%0.826SS**SBendtrans-105.710179.9-140.2-179.6-174.200113.8
143E43.1Very low40.3Very low195 Ų195165.7 Ų165.791%0.91183%0.825SS**  trans-131.359179.4-73.5-170.6158.800113.3
144E42.2Very low40.3Very low199 Ų199165.5 Ų165.593%0.9382%0.823SS**  trans-137.351.5159-149.9177.1-175.800111
145M40.6Very low40.4Very low171 Ų171164.3 Ų164.384%0.84282%0.816SS**  trans-95.2117.3163.1-153.7-154.3-4900107.8
146N43.7Very low40.6Very low141 Ų141164.7 Ų164.775%0.75482%0.823SS**  trans148.2-2.2133.682.659.1000118.6K148N146-K148 PolarHBondContact O-N 3.25Å; N146-K148 VanDerWaalsContact O-N 3.11Å
147E47.5Very low41.1Very low185 Ų185165.8 Ų165.886%0.86483%0.828SS**THydrogen-bonded Turntrans-90.330.5-161.2-137.8179.1-154.600118.2
148K48.5Very low41.5Very low210 Ų210166.5 Ų166.591%0.91383%0.828SS**THydrogen-bonded Turntrans-13924.2174-69.5-176.8179.9163.70116.2N146N146-K148 PolarHBondContact O-N 3.25Å; N146-K148 VanDerWaalsContact O-N 3.11Å
149N46.8Very low43.1Very low140 Ų140164.5 Ų164.575%0.74983%0.828SS**  trans-103.680.8165.817227000110.2
150E45.1Very low43.6Very low186 Ų186164.7 Ų164.787%0.86983%0.833SS**  trans-160.769.5164-84.6-65.413800108.1
151N37.3Very low45Very low146 Ų146159.6 Ų159.678%0.78182%0.815SS**  trans-144.848.2156.282.2-6.3000112.5N153N151-N153 PolarHBondContact O-N 2.85Å
152A46.6Very low46.9Very low98 Ų98153.7 Ų153.781%0.8179%0.793SS**  trans-64.881.3158.100000109.6
153N35.2Very low48.5Very low160 Ų160147.7 Ų147.786%0.85678%0.776SS**  trans-114.497.3158.7-147.963.9000107.7N151N151-N153 PolarHBondContact O-N 2.85Å
154C33.9Very low50Low100 Ų100143.9 Ų143.968%0.67676%0.762SS**  trans-52.2158172.7-55.30000112.8
155L45.3Very low51.9Low144 Ų144139.3 Ų139.375%0.75474%0.741SS**  trans80.278.9161.1-49.7175.6000116.5
156N36.8Very low53.9Low168 Ų168133.8 Ų133.890%0.89872%0.716SS**  -126.5103.2121.3-72.1-63.4000106.3E158N156-E158 VanDerWaalsContact C-N 3.33Å; N156-E158 PolarHBondContact O-N 2.93Å
157E47.2Very low55.8Low176 Ų176131.6 Ų131.682%0.82270%0.704SS**  trans-57.698.6163.8-75.9177133.500107.7
158E45.6Very low57.6Low172 Ų172129.3 Ų129.380%0.80469%0.693SS**  trans-73.7117.7144.6-166.5161.2-165.900104.6N156 L160N156-E158 VanDerWaalsContact C-N 3.33Å; N156-E158 PolarHBondContact O-N 2.93Å; E158-L160 PolarHBondContact O-N 3.22Å
159P63.7Low59.3Low102 Ų102124.1 Ų124.166%0.66267%0.672SS**  trans-52.2122.7-179.4-22.331.4000107.8I161P159-I161 PolarHBondContact O-N 3.31Å
160L52.8Low61.1Low161 Ų161121.5 Ų121.584%0.84366%0.657SS**  trans-54.7113.2169.2-68.2173.7000105.7E158 T162E158-L160 PolarHBondContact O-N 3.22Å; L160-T162 PolarHBondContact O-N 2.99Å
161I64.7Low62.7Low102 Ų102115.5 Ų115.552%0.52363%0.633SS.*  trans-51.3116.4-177.7-132.5155.5000106.2P159 Q165 V166P159-I161 PolarHBondContact O-N 3.31Å; I161-Q165 HydrophobicContact CG1-CB 4.38Å; I161-Q165 HydrophobicContact CG1-CG 4.17Å; I161-V166 HydrophobicContact CG2-CG2 3.3Å
162T79.3Confident64.7Low77 Ų77114 Ų11447%0.47262%0.621SS.*  trans-69.4148.1-171.7-61.60000107.5L160 D164 Q165 V166L160-T162 PolarHBondContact O-N 2.99Å; T162-D164 HydrophobicContact CG2-CB 4.22Å; T162-D164 PolarHBondContact O-N 3.2Å; T162-Q165 WeakPolarHBondContact O-CA 3.49Å; T162-Q165 WeakPolarHBondContact O-CB 3.49Å; T162-Q165 PolarHBondContact O-N 3.31Å; T162-V166 PolarHBondContact O-N 3.37Å; T162-V166 VanDerWaalsContact O-N 3.11Å
163A72.4Confident66.2Low68 Ų68115.6 Ų115.656%0.56261%0.613SS**Hα-helixtrans-51.9-34.8178.100000111.5Q165 V166 I167A163-Q165 VanDerWaalsContact C-N 3.33Å; A163-Q165 PolarHBondContact O-N 3.22Å; A163-V166 PolarHBondContact O-N 3.45Å; A163-I167 WeakPolarHBondContact O-CB 3.49Å; A163-I167 VanDerWaalsContact O-CD1 3.3Å; A163-I167 WeakPolarHBondContact O-CD1 3.49Å; A163-I167 WeakPolarHBondContact O-CG1 3.41Å; A163-I167 PolarHBondContact O-N 2.79Å
164D75.4Confident68Low116 Ų116114.1 Ų114.162%0.6260%0.603SS**Hα-helixtrans-64.7-33.2175.1-59.3-34.1000113.1T162 I167 E168T162-D164 HydrophobicContact CG2-CB 4.22Å; T162-D164 PolarHBondContact O-N 3.2Å; D164-I167 PolarHBondContact O-N 2.71Å; D164-E168 VanDerWaalsContact O-CB 3.27Å; D164-E168 WeakPolarHBondContact O-CB 3.2Å; D164-E168 PolarHBondContact O-N 2.97Å
165Q81.6Confident69.6Low103 Ų103116.8 Ų116.848%0.48161%0.606SS.*Hα-helixtrans-76.6-34.6178.1-166.4161.415.600112.2I161 T162 A163 I167 E168 E169I161-Q165 HydrophobicContact CG1-CB 4.38Å; I161-Q165 HydrophobicContact CG1-CG 4.17Å; T162-Q165 WeakPolarHBondContact O-CA 3.49Å; T162-Q165 WeakPolarHBondContact O-CB 3.49Å; T162-Q165 PolarHBondContact O-N 3.31Å; A163-Q165 VanDerWaalsContact C-N 3.33Å; A163-Q165 PolarHBondContact O-N 3.22Å; Q165-I167 VanDerWaalsContact C-N 3.35Å; Q165-E168 PolarHBondContact O-N 3.16Å; Q165-E169 WeakPolarHBondContact O-CB 3.2Å; Q165-E169 PolarHBondContact O-N 3.27Å
166V82.5Confident70.3Confident54 Ų54115.8 Ų115.833%0.32760%0.601SS.*Hα-helixtrans-67.1-40.5169.3-173.90000110.4I161 T162 A163 E168 E169 I170I161-V166 HydrophobicContact CG2-CG2 3.3Å; T162-V166 PolarHBondContact O-N 3.37Å; T162-V166 VanDerWaalsContact O-N 3.11Å; A163-V166 PolarHBondContact O-N 3.45Å; V166-E168 VanDerWaalsContact C-N 3.34Å; V166-E169 PolarHBondContact O-N 3.43Å; V166-I170 HydrophobicContact CG1-CD1 3.76Å; V166-I170 HydrophobicContact CG1-CG1 4.36Å; V166-I170 WeakPolarHBondContact O-CB 3.37Å; V166-I170 WeakPolarHBondContact O-CG1 3.24Å; V166-I170 PolarHBondContact O-N 2.91Å
167I83.6Confident71Confident96 Ų96110.9 Ų110.949%0.49258%0.58SS.*Hα-helixtrans-65.5-41.1177.4-69.6162.3000110A163 D164 Q165 I170 V171A163-I167 WeakPolarHBondContact O-CB 3.49Å; A163-I167 VanDerWaalsContact O-CD1 3.3Å; A163-I167 WeakPolarHBondContact O-CD1 3.49Å; A163-I167 WeakPolarHBondContact O-CG1 3.41Å; A163-I167 PolarHBondContact O-N 2.79Å; D164-I167 PolarHBondContact O-N 2.71Å; Q165-I167 VanDerWaalsContact C-N 3.35Å; I167-I170 PolarHBondContact O-N 3.4Å; I167-V171 HydrophobicContact CG2-CG2 4.3Å; I167-V171 WeakPolarHBondContact O-CB 3.32Å; I167-V171 WeakPolarHBondContact O-CG2 3.46Å; I167-V171 PolarHBondContact O-N 3.11Å
168E85.4Confident71.4Confident137 Ų137107 Ų10764%0.6457%0.57SS**Hα-helixtrans-66.1-41.3176-165.8165.2-151.100111.6D164 Q165 V166 V171 E172D164-E168 VanDerWaalsContact O-CB 3.27Å; D164-E168 WeakPolarHBondContact O-CB 3.2Å; D164-E168 PolarHBondContact O-N 2.97Å; Q165-E168 PolarHBondContact O-N 3.16Å; V166-E168 VanDerWaalsContact C-N 3.34Å; E168-V171 PolarHBondContact O-N 3.05Å; E168-E172 WeakPolarHBondContact O-CB 3.41Å; E168-E172 PolarHBondContact O-N 2.82Å
169E84.6Confident71.5Confident101 Ų101104.1 Ų104.147%0.47256%0.56SS.*Hα-helixtrans-64.4-39.4173.9-175.2177.717800112.2Q165 V166 E172 M173Q165-E169 WeakPolarHBondContact O-CB 3.2Å; Q165-E169 PolarHBondContact O-N 3.27Å; V166-E169 PolarHBondContact O-N 3.43Å; E169-E172 PolarHBondContact O-N 2.91Å; E169-M173 WeakPolarHBondContact O-CB 3.41Å; E169-M173 WeakPolarHBondContact O-CG 3.41Å; E169-M173 PolarHBondContact O-N 3.48Å
170I83.8Confident71Confident85 Ų85105.4 Ų105.444%0.43657%0.569SS.*Hα-helixtrans-70-40.2175.3-69.1168.8000110.9V166 I167 E172 M173 M174V166-I170 HydrophobicContact CG1-CD1 3.76Å; V166-I170 HydrophobicContact CG1-CG1 4.36Å; V166-I170 WeakPolarHBondContact O-CB 3.37Å; V166-I170 WeakPolarHBondContact O-CG1 3.24Å; V166-I170 PolarHBondContact O-N 2.91Å; I167-I170 PolarHBondContact O-N 3.4Å; I170-E172 VanDerWaalsContact C-N 3.33Å; I170-M173 PolarHBondContact O-N 3.31Å; I170-M174 HydrophobicContact CG2-CG 4.42Å; I170-M174 HydrophobicContact CG2-SD 3.98Å; I170-M174 WeakPolarHBondContact O-CB 3.43Å; I170-M174 WeakPolarHBondContact O-CG 3.27Å; I170-M174 PolarHBondContact O-N 2.9Å
171V79.3Confident70.8Confident59 Ų59100.5 Ų100.536%0.35856%0.556SS.*Hα-helixtrans-64.7-41.2174.9167.60000109.8I167 E168 M173 M174 E175I167-V171 HydrophobicContact CG2-CG2 4.3Å; I167-V171 WeakPolarHBondContact O-CB 3.32Å; I167-V171 WeakPolarHBondContact O-CG2 3.46Å; I167-V171 PolarHBondContact O-N 3.11Å; E168-V171 PolarHBondContact O-N 3.05Å; V171-M173 PolarHBondContact O-N 3.47Å; V171-M174 CarbonylContact O-C 3.04Å; V171-M174 PolarHBondContact O-N 3.47Å; V171-M174 VanDerWaalsContact O-N 3.12Å; V171-E175 HydrophobicContact CG1-CG 4.16Å; V171-E175 WeakPolarHBondContact O-CB 3.36Å; V171-E175 WeakPolarHBondContact O-CG 3.48Å; V171-E175 PolarHBondContact O-N 3.25Å
172E80.2Confident70.1Confident116 Ų116104.1 Ų104.154%0.54257%0.571SS.*Hα-helixtrans-63.3-40.5174.3-175.4171.7-156.300111.2E168 E169 I170 M174 E175 N176E168-E172 WeakPolarHBondContact O-CB 3.41Å; E168-E172 PolarHBondContact O-N 2.82Å; E169-E172 PolarHBondContact O-N 2.91Å; I170-E172 VanDerWaalsContact C-N 3.33Å; E172-M174 VanDerWaalsContact C-N 3.32Å; E172-M174 PolarHBondContact O-N 2.99Å; E172-E175 PolarHBondContact O-N 2.98Å; E172-N176 VanDerWaalsContact CG-ND2 3.29Å; E172-N176 WeakPolarHBondContact CG-ND2 3.37Å; E172-N176 VanDerWaalsContact O-CB 3.23Å; E172-N176 WeakPolarHBondContact O-CB 3.45Å; E172-N176 VanDerWaalsContact O-CG 3.27Å; E172-N176 PolarHBondContact O-N 3.49Å; E172-N176 PolarHBondContact O-ND2 3.45Å
173M77.9Confident68.5Low130 Ų130103.2 Ų103.264%0.6457%0.566SS**Hα-helixtrans-66.4-31.5171.8-76.8179.348.500113.5E169 I170 V171 S177E169-M173 WeakPolarHBondContact O-CB 3.41Å; E169-M173 WeakPolarHBondContact O-CG 3.41Å; E169-M173 PolarHBondContact O-N 3.48Å; I170-M173 PolarHBondContact O-N 3.31Å; V171-M173 PolarHBondContact O-N 3.47Å; M173-S177 PolarHBondContact O-N 3.32Å
174M71.3Confident67.3Low129 Ų129109 Ų10964%0.63558%0.581SS**Hα-helixtrans-78.5-34177.4-73.2177.66400112.2I170 V171 E172 S177I170-M174 HydrophobicContact CG2-CG 4.42Å; I170-M174 HydrophobicContact CG2-SD 3.98Å; I170-M174 WeakPolarHBondContact O-CB 3.43Å; I170-M174 WeakPolarHBondContact O-CG 3.27Å; I170-M174 PolarHBondContact O-N 2.9Å; V171-M174 CarbonylContact O-C 3.04Å; V171-M174 PolarHBondContact O-N 3.47Å; V171-M174 VanDerWaalsContact O-N 3.12Å; E172-M174 VanDerWaalsContact C-N 3.32Å; E172-M174 PolarHBondContact O-N 2.99Å; M174-S177 PolarHBondContact O-OG 3.48Å
175E68Low66Low157 Ų157112 Ų11273%0.73459%0.591SS**Hα-helixtrans-79.8-23.5175.9-70.9-176.5171.200112.5V171 E172V171-E175 HydrophobicContact CG1-CG 4.16Å; V171-E175 WeakPolarHBondContact O-CB 3.36Å; V171-E175 WeakPolarHBondContact O-CG 3.48Å; V171-E175 PolarHBondContact O-N 3.25Å; E172-E175 PolarHBondContact O-N 2.98Å
176N60.2Low64.3Low122 Ų122115.5 Ų115.565%0.65261%0.608SS**SBendtrans-93.13170.4-67.8-56.1000113.5E172E172-N176 VanDerWaalsContact CG-ND2 3.29Å; E172-N176 WeakPolarHBondContact CG-ND2 3.37Å; E172-N176 VanDerWaalsContact O-CB 3.23Å; E172-N176 WeakPolarHBondContact O-CB 3.45Å; E172-N176 VanDerWaalsContact O-CG 3.27Å; E172-N176 PolarHBondContact O-N 3.49Å; E172-N176 PolarHBondContact O-ND2 3.45Å
177S52.2Low62.3Low66 Ų66118.9 Ų118.946%0.46262%0.624SS.*SBendtrans-73.7131.5166.181.30000108.1M173 M174 D179M173-S177 PolarHBondContact O-N 3.32Å; M174-S177 PolarHBondContact O-OG 3.48Å; S177-D179 PolarHBondContact O-N 2.89Å
178P55.1Low60.6Low94 Ų94123 Ų12361%0.6164%0.641SS**PPolyproline II helixtrans-60116.7175-14.627000107.8T183P178-T183 HydrophobicContact CB-CG2 4.49Å
179D46.9Very low58.9Low112 Ų112124.2 Ų124.260%0.59965%0.647SS**PPolyproline II helixtrans-57.6126.7170.4-176.531.3000107.5S177 G181 E182 T183S177-D179 PolarHBondContact O-N 2.89Å; D179-G181 PolarHBondContact O-N 3.25Å; D179-E182 PolarHBondContact O-N 2.87Å; D179-T183 PolarHBondContact O-OG1 3.36Å
180P54.3Low57Low129 Ų129128.2 Ų128.284%0.83867%0.666SS**THydrogen-bonded Turntrans-66.615.8-177.827-36.7000114.3
181G49.2Very low54.8Low57 Ų57129.2 Ų129.259%0.58868%0.68SS**THydrogen-bonded Turntrans-104.6-18.3-179.500000115.9D179D179-G181 PolarHBondContact O-N 3.25Å
182E49.6Very low53.2Low178 Ų178130.2 Ų130.283%0.83269%0.689SS**SBendtrans-133.114.1-169.9-65.3-94.8145.200113.8D179D179-E182 PolarHBondContact O-N 2.87Å
183T45.5Very low51.4Low58 Ų58132.3 Ų132.336%0.35670%0.704SS.*  trans-11017.1-175.7-32.10000114.7P178 D179 D187P178-T183 HydrophobicContact CB-CG2 4.49Å; D179-T183 PolarHBondContact O-OG1 3.36Å; T183-D187 WeakPolarHBondContact CG2-OD2 3.32Å
184E46.8Very low49.3Very low190 Ų190131.7 Ų131.789%0.88871%0.711SS**SBendtrans-86.71.7175.4-66.7-135.4163.400114.6
185E48.3Very low47.6Very low179 Ų179130.3 Ų130.384%0.83671%0.714SS**SBendtrans-134.6-6.3-173-63.7-85.9159.400117.6
186E46.1Very low46.1Very low176 Ų176129.4 Ų129.482%0.82273%0.725SS**SBendtrans-131.1-2.8-170.7-65.3-170.117400118.5
187D40.5Very low45.4Very low126 Ų126130.7 Ų130.767%0.67472%0.721SS**THydrogen-bonded Turntrans-94.613.7-177-86.7-24.6000115.8T183T183-D187 WeakPolarHBondContact CG2-OD2 3.32Å
188E47.5Very low45.1Very low182 Ų182134 Ų13485%0.8574%0.738SS**THydrogen-bonded Turntrans-85.3-10.7175.7-67.8-162.3171.600114.4
189E50.4Low45Very low162 Ų162134.8 Ų134.876%0.75774%0.737SS**SBendtrans-98.5-22.4-167.6-62.7-154.6170.200116.8S192E189-S192 WeakPolarHBondContact O-CB 3.3Å; E189-S192 PolarHBondContact O-OG 3.26Å
190E44.9Very low45.5Very low186 Ų186131.8 Ų131.887%0.86972%0.724SS**SBendtrans-96-12.6-173-78.7-108.9149.900115.5S192E190-S192 VanDerWaalsContact C-N 3.26Å; E190-S192 PolarHBondContact O-N 2.84Å
191S35.8Very low46.4Very low105 Ų105129.6 Ų129.673%0.73471%0.712SS**SBendtrans-84.3-1.317172.40000113.6L193S191-L193 VanDerWaalsContact C-N 3.29Å; S191-L193 PolarHBondContact O-N 3.2Å
192S45.8Very low47.1Very low80 Ų80132 Ų13256%0.55971%0.71SS**G310 helixtrans-74.6-4-171.168.20000115.6E189 E190E189-S192 WeakPolarHBondContact O-CB 3.3Å; E189-S192 PolarHBondContact O-OG 3.26Å; E190-S192 VanDerWaalsContact C-N 3.26Å; E190-S192 PolarHBondContact O-N 2.84Å
193L42.9Very low48Very low161 Ų161129.6 Ų129.684%0.84370%0.703SS**G310 helixtrans-97.53.8-172.4-73.8167000116S191S191-L193 VanDerWaalsContact C-N 3.29Å; S191-L193 PolarHBondContact O-N 3.2Å
194C34.7Very low49.3Very low117 Ų117130.6 Ų130.679%0.79170%0.703SS**G310 helixtrans-141.447.1170.5-160.70000114.4
195S35.6Very low50.4Low100 Ų100123.8 Ų123.870%0.69967%0.671SS**  trans-154.575.9157.6-81.80000110.1R197S195-R197 PolarHBondContact O-N 2.85Å
196S36.9Very low51.4Low138 Ų138119.7 Ų119.797%0.96565%0.654SS**  trans-72.548.6165.3-155.70000111
197R45.2Very low52.5Low148 Ų148118.6 Ų118.656%0.55864%0.643SS**  trans-127.789.4167.7-162.4170.3172.1-111.62.6104.8S195 N199 E243S195-R197 PolarHBondContact O-N 2.85Å; R197-N199 PolarHBondContact O-N 2.98Å; R197-E243 IonicContact NH2-OE1 2.6Å
198T44.8Very low53.7Low135 Ų135117 Ų11783%0.82863%0.631SS**  trans-5491.9168.448.10000107.8P200T198-P200 VanDerWaalsContact O-CD 3.26Å; T198-P200 WeakPolarHBondContact O-CD 3.11Å
199N53.3Low54.2Low112 Ų112112 Ų11260%0.59961%0.61SS**  trans-72.9111.4164.6-66.4-33.9000105R197R197-N199 PolarHBondContact O-N 2.98Å
200P57.9Low54.9Low48 Ų48107.4 Ų107.431%0.31260%0.595SS.*  trans-59.7148.9173-5.820.5000108.1T198 L202 E204 E205T198-P200 VanDerWaalsContact O-CD 3.26Å; T198-P200 WeakPolarHBondContact O-CD 3.11Å; P200-L202 PolarHBondContact O-N 2.88Å; P200-E204 HydrophobicContact CB-CB 3.85Å; P200-E204 HydrophobicContact CB-CG 3.94Å; P200-E205 HydrophobicContact CB-CG 3.91Å; P200-E205 WeakPolarHBondContact CD-OE1 3.39Å; P200-E205 HydrophobicContact CG-CG 3.81Å
201S73Confident55.7Low84 Ų84103 Ų10359%0.58758%0.575SS**  trans-49.1140.7166.5171.40000109.1L203 E204 E205S201-L203 CarbonylContact O-C 3.55Å; S201-L203 PolarHBondContact O-N 3.14Å; S201-E204 WeakPolarHBondContact O-CA 3.41Å; S201-E204 VanDerWaalsContact O-CB 3.3Å; S201-E204 WeakPolarHBondContact O-CB 3.4Å; S201-E204 PolarHBondContact O-N 2.8Å; S201-E205 PolarHBondContact O-N 3.03Å
202L63Low56.6Low106 Ų106101 Ų10156%0.55557%0.565SS**Hα-helixtrans-49-31.8178.4175.8140.9000112.1P200 E205 I206P200-L202 PolarHBondContact O-N 2.88Å; L202-E205 PolarHBondContact O-N 3Å; L202-I206 HydrophobicContact CD2-CD1 3.53Å; L202-I206 HydrophobicContact CG-CD1 4.18Å; L202-I206 WeakPolarHBondContact O-CD1 3.41Å; L202-I206 WeakPolarHBondContact O-CG1 3.46Å; L202-I206 PolarHBondContact O-N 2.88Å
203L68.5Low57.1Low129 Ų129100.9 Ų100.968%0.67556%0.564SS**Hα-helixtrans-65.6-40.6173.5-173.866.3000113.1S201 I206 R207S201-L203 CarbonylContact O-C 3.55Å; S201-L203 PolarHBondContact O-N 3.14Å; L203-I206 PolarHBondContact O-N 2.91Å; L203-R207 VanDerWaalsContact O-CB 3.27Å; L203-R207 WeakPolarHBondContact O-CB 3.25Å; L203-R207 PolarHBondContact O-N 3.41Å
204E73.3Confident57.8Low78 Ų7899.2 Ų99.236%0.36456%0.556SS.*Hα-helixtrans-71.2-34.3177.7-169.457.7-150.300111.3P200 S201 R207 Q208P200-E204 HydrophobicContact CB-CB 3.85Å; P200-E204 HydrophobicContact CB-CG 3.94Å; S201-E204 WeakPolarHBondContact O-CA 3.41Å; S201-E204 VanDerWaalsContact O-CB 3.3Å; S201-E204 WeakPolarHBondContact O-CB 3.4Å; S201-E204 PolarHBondContact O-N 2.8Å; E204-R207 PolarHBondContact O-N 2.74Å; E204-Q208 WeakPolarHBondContact O-CB 3.38Å; E204-Q208 VanDerWaalsContact O-CG 3.27Å; E204-Q208 WeakPolarHBondContact O-CG 3.32Å; E204-Q208 PolarHBondContact O-N 3.2Å
205E70.3Confident59Low47 Ų4799.5 Ų99.522%0.2255%0.549CS..Hα-helixtrans-65.1-46.5170.5-69-173172.400112P200 S201 L202 R207 Q208 L209P200-E205 HydrophobicContact CB-CG 3.91Å; P200-E205 WeakPolarHBondContact CD-OE1 3.39Å; P200-E205 HydrophobicContact CG-CG 3.81Å; S201-E205 PolarHBondContact O-N 3.03Å; L202-E205 PolarHBondContact O-N 3Å; E205-R207 VanDerWaalsContact C-N 3.26Å; E205-R207 PolarHBondContact O-N 3.33Å; E205-Q208 PolarHBondContact O-N 3.09Å; E205-L209 WeakPolarHBondContact O-CB 3.36Å; E205-L209 WeakPolarHBondContact O-CG 3.44Å; E205-L209 PolarHBondContact O-N 3.16Å
206I68.4Low60.1Low93 Ų9399.4 Ų99.448%0.47754%0.541SS..Hα-helixtrans-59.9-40.1174.4-68.8166.1000110.7L202 L203 L209 S210L202-I206 HydrophobicContact CD2-CD1 3.53Å; L202-I206 HydrophobicContact CG-CD1 4.18Å; L202-I206 WeakPolarHBondContact O-CD1 3.41Å; L202-I206 WeakPolarHBondContact O-CG1 3.46Å; L202-I206 PolarHBondContact O-N 2.88Å; L203-I206 PolarHBondContact O-N 2.91Å; I206-L209 PolarHBondContact O-N 3.36Å; I206-S210 WeakPolarHBondContact O-CB 3.47Å; I206-S210 PolarHBondContact O-N 3.06Å
207R70.2Confident61.1Low154 Ų15496.4 Ų96.458%0.58152%0.519SS*.Hα-helixtrans-67-39.3178-162.6-163.3166.5147.5-0.7111.8L203 E204 E205 Q211L203-R207 VanDerWaalsContact O-CB 3.27Å; L203-R207 WeakPolarHBondContact O-CB 3.25Å; L203-R207 PolarHBondContact O-N 3.41Å; E204-R207 PolarHBondContact O-N 2.74Å; E205-R207 VanDerWaalsContact C-N 3.26Å; E205-R207 PolarHBondContact O-N 3.33Å; R207-Q211 WeakPolarHBondContact O-CB 3.47Å; R207-Q211 VanDerWaalsContact O-CG 3.24Å; R207-Q211 WeakPolarHBondContact O-CG 3.48Å; R207-Q211 PolarHBondContact O-N 3.18Å; R207-Q211 PolarHBondContact O-NE2 3.48Å; R207-Q211 VanDerWaalsContact O-NE2 3.13Å
208Q65.7Low62.4Low92 Ų9293.1 Ų93.143%0.4352%0.519SS..Hα-helixtrans-68.7-40.4175.7-76176.159.400111.9E204 E205 Q211 A212E204-Q208 WeakPolarHBondContact O-CB 3.38Å; E204-Q208 VanDerWaalsContact O-CG 3.27Å; E204-Q208 WeakPolarHBondContact O-CG 3.32Å; E204-Q208 PolarHBondContact O-N 3.2Å; E205-Q208 PolarHBondContact O-N 3.09Å; Q208-Q211 PolarHBondContact O-N 2.85Å; Q208-A212 WeakPolarHBondContact O-CB 3.25Å; Q208-A212 PolarHBondContact O-N 3.15Å
209L58.3Low63.8Low78 Ų7895.4 Ų95.441%0.40851%0.514SS..Hα-helixtrans-59.9-46.1173.5-80.5166.4000112E205 I206 A212 S213 Y244E205-L209 WeakPolarHBondContact O-CB 3.36Å; E205-L209 WeakPolarHBondContact O-CG 3.44Å; E205-L209 PolarHBondContact O-N 3.16Å; I206-L209 PolarHBondContact O-N 3.36Å; L209-A212 PolarHBondContact O-N 3.04Å; L209-S213 WeakPolarHBondContact O-CB 3.5Å; L209-S213 PolarHBondContact O-N 2.91Å; L209-Y244 HydrophobicContact CD1-CE2 4.45Å; L209-Y244 HydrophobicContact CD2-CD2 4.01Å; L209-Y244 HydrophobicContact CD2-CE2 3.39Å; L209-Y244 HydrophobicContact CG-CE2 4.18Å
210S63.8Low64.9Low64 Ų6496.3 Ų96.345%0.44851%0.514SS..Hα-helixtrans-62.5-43176.4-179.30000112.1I206 S213 N214I206-S210 WeakPolarHBondContact O-CB 3.47Å; I206-S210 PolarHBondContact O-N 3.06Å; S210-S213 PolarHBondContact O-N 3.22Å; S210-N214 WeakPolarHBondContact O-CB 3.48Å; S210-N214 PolarHBondContact O-N 3.2Å; S210-N214 VanDerWaalsContact O-N 3.14Å
211Q61.7Low65.8Low94 Ų9495.6 Ų95.644%0.43952%0.516SS..Hα-helixtrans-68-35.9177.6-75.7175.476.400113.3R207 Q208 N215R207-Q211 WeakPolarHBondContact O-CB 3.47Å; R207-Q211 VanDerWaalsContact O-CG 3.24Å; R207-Q211 WeakPolarHBondContact O-CG 3.48Å; R207-Q211 PolarHBondContact O-N 3.18Å; R207-Q211 PolarHBondContact O-NE2 3.48Å; R207-Q211 VanDerWaalsContact O-NE2 3.13Å; Q208-Q211 PolarHBondContact O-N 2.85Å; Q211-N215 PolarHBondContact O-ND2 3Å
212A55.1Low66.2Low64 Ų6494 Ų9453%0.52950%0.5SS..Hα-helixtrans-69.9-37.1175.500000112Q208 L209Q208-A212 WeakPolarHBondContact O-CB 3.25Å; Q208-A212 PolarHBondContact O-N 3.15Å; L209-A212 PolarHBondContact O-N 3.04Å
213S56.3Low66.9Low76 Ų7692.4 Ų92.453%0.53150%0.498SS..Hα-helixtrans-68.9-32.7177.5-176.40000113.2L209 S210L209-S213 WeakPolarHBondContact O-CB 3.5Å; L209-S213 PolarHBondContact O-N 2.91Å; S210-S213 PolarHBondContact O-N 3.22Å
214N57.9Low67.7Low126 Ų12691.3 Ų91.367%0.67450%0.5SS*.Hα-helixtrans-86.4-20.3-169.8-96.5-16.7000115.8S210S210-N214 WeakPolarHBondContact O-CB 3.48Å; S210-N214 PolarHBondContact O-N 3.2Å; S210-N214 VanDerWaalsContact O-N 3.14Å
215N60.5Low68.2Low123 Ų12390.7 Ų90.766%0.65850%0.498SS*.SBendtrans-104.1-4.4-166.7-74.3-50.6000116.4Q211Q211-N215 PolarHBondContact O-ND2 3Å
216N57.3Low69.2Low98 Ų9892.4 Ų92.452%0.52451%0.513SS..SBendtrans-139.45.5-179.5-74.8-61.8000116.2
217C58.5Low70.3Confident75 Ų7593 Ų9351%0.50753%0.526SS..  trans-107.725.5-168.6-60.70000114.7
218S72.6Confident71.3Confident79 Ų7989.3 Ų89.355%0.55252%0.523SS*.  trans-69.8133.5166.8178.30000109.2E220 G221 L222S218-E220 PolarHBondContact O-N 3.07Å; S218-G221 WeakPolarHBondContact O-CA 3.31Å; S218-G221 PolarHBondContact O-N 2.91Å; S218-L222 PolarHBondContact O-N 3.45Å
219Y73.3Confident72.3Confident184 Ų18486.3 Ų86.372%0.72252%0.515SS*.Hα-helixtrans-50.7-43.2177.7174.5-97000112G221 L222 S223Y219-G221 VanDerWaalsContact C-N 3.33Å; Y219-G221 PolarHBondContact O-N 3.45Å; Y219-L222 PolarHBondContact O-N 3.02Å; Y219-S223 WeakPolarHBondContact O-CB 3.37Å; Y219-S223 PolarHBondContact O-N 2.86Å; Y219-S223 PolarHBondContact O-OG 3.32Å
220E76.5Confident73.7Confident130 Ų13086.4 Ų86.461%0.60752%0.515SS*.Hα-helixtrans-61.2-42176.4-12972.7-162.900111.7S218 S223 C224S218-E220 PolarHBondContact O-N 3.07Å; E220-S223 PolarHBondContact O-N 3.46Å; E220-S223 PolarHBondContact O-OG 3.44Å; E220-C224 PolarHBondContact O-N 2.81Å; E220-C224 PolarHBondContact O-SG 2.88Å
221G78.2Confident75Confident33 Ų3390 Ų9034%0.3453%0.526SS..Hα-helixtrans-66.2-43.6179.100000112.6S218 Y219 C224 M225S218-G221 WeakPolarHBondContact O-CA 3.31Å; S218-G221 PolarHBondContact O-N 2.91Å; Y219-G221 VanDerWaalsContact C-N 3.33Å; Y219-G221 PolarHBondContact O-N 3.45Å; G221-C224 PolarHBondContact O-N 3.41Å; G221-M225 WeakPolarHBondContact O-CG 3.31Å; G221-M225 PolarHBondContact O-N 3.44Å
222L80Confident76.3Confident50 Ų5092.1 Ų92.126%0.26254%0.536SS..Hα-helixtrans-65.9-38.1176.2-66.7171.1000111.9S218 Y219 C224 M225 L230 L233S218-L222 PolarHBondContact O-N 3.45Å; Y219-L222 PolarHBondContact O-N 3.02Å; L222-C224 VanDerWaalsContact C-N 3.25Å; L222-C224 PolarHBondContact O-N 2.73Å; L222-M225 PolarHBondContact O-N 3Å; L222-L230 HydrophobicContact CD2-CD1 4.17Å; L222-L233 HydrophobicContact CD2-CD2 3.75Å
223S78.5Confident77.9Confident73 Ų7391.3 Ų91.351%0.5152%0.523SS..Hα-helixtrans-68-25.4178.7760000113.4Y219 E220Y219-S223 WeakPolarHBondContact O-CB 3.37Å; Y219-S223 PolarHBondContact O-N 2.86Å; Y219-S223 PolarHBondContact O-OG 3.32Å; E220-S223 PolarHBondContact O-N 3.46Å; E220-S223 PolarHBondContact O-OG 3.44Å
224C84.4Confident79.3Confident107 Ų10792.2 Ų92.272%0.72352%0.521SS*.THydrogen-bonded Turntrans-90.1-6.1179.6-69.60000113.2E220 G221 L222E220-C224 PolarHBondContact O-N 2.81Å; E220-C224 PolarHBondContact O-SG 2.88Å; G221-C224 PolarHBondContact O-N 3.41Å; L222-C224 VanDerWaalsContact C-N 3.25Å; L222-C224 PolarHBondContact O-N 2.73Å
225M85.2Confident80.9Confident65 Ų6591.7 Ų91.732%0.3252%0.515SS..SBendtrans-78.6144.3176.2-75.2-169.7177.700111.8G221 L222 A229G221-M225 WeakPolarHBondContact O-CG 3.31Å; G221-M225 PolarHBondContact O-N 3.44Å; L222-M225 PolarHBondContact O-N 3Å; M225-A229 HydrophobicContact CB-CB 4.5Å
226P91.1Very high82.3Confident82 Ų8294.7 Ų94.753%0.53252%0.517SS..  trans-65.5149.1171.328.3-33.1000110.3S228 A229 L230P226-S228 PolarHBondContact O-N 2.88Å; P226-A229 HydrophobicContact CG-CB 3.81Å; P226-A229 PolarHBondContact O-N 3.5Å; P226-L230 PolarHBondContact O-N 3.34Å; P226-L230 VanDerWaalsContact O-N 3.14Å
227S90.4Very high83.8Confident106 Ų10693.4 Ų93.474%0.74151%0.512SS*.Hα-helixtrans-55.7-31-175.5-48.40000113.9M231S227-M231 WeakPolarHBondContact O-CB 3.48Å; S227-M231 PolarHBondContact O-N 2.77Å; S227-M231 VanDerWaalsContact O-N 3.08Å
228S91.8Very high85.4Confident76 Ų7694 Ų9453%0.53151%0.508SS..Hα-helixtrans-66.7-43175.2570000112.7P226 L230 M231 E232P226-S228 PolarHBondContact O-N 2.88Å; S228-L230 VanDerWaalsContact C-N 3.34Å; S228-M231 PolarHBondContact O-N 3.3Å; S228-E232 WeakPolarHBondContact O-CG 3.32Å; S228-E232 PolarHBondContact O-N 3.29Å
229A87.4Confident86.2Confident30 Ų3092 Ų9225%0.24850%0.495CS..Hα-helixtrans-68.3-35.517800000111.6M225 P226 E232 L233M225-A229 HydrophobicContact CB-CB 4.5Å; P226-A229 HydrophobicContact CG-CB 3.81Å; P226-A229 PolarHBondContact O-N 3.5Å; A229-E232 PolarHBondContact O-N 2.83Å; A229-L233 WeakPolarHBondContact O-CB 3.35Å; A229-L233 PolarHBondContact O-N 2.91Å
230L87.8Confident87Confident79 Ų7984.6 Ų84.641%0.41447%0.472SS..Hα-helixtrans-66.1-39.5174.7-173.962.5000111.9L222 P226 S228 L233 L234L222-L230 HydrophobicContact CD2-CD1 4.17Å; P226-L230 PolarHBondContact O-N 3.34Å; P226-L230 VanDerWaalsContact O-N 3.14Å; S228-L230 VanDerWaalsContact C-N 3.34Å; L230-L233 PolarHBondContact O-N 3.28Å; L230-L234 WeakPolarHBondContact O-CB 3.17Å; L230-L234 PolarHBondContact O-N 3.39Å
231M90.1Very high87.8Confident139 Ų13983.3 Ų83.369%0.68547%0.469SS*.Hα-helixtrans-67.1-41.9175.8-178174.6-76.300112.2S227 S228 L233 L234 H235S227-M231 WeakPolarHBondContact O-CB 3.48Å; S227-M231 PolarHBondContact O-N 2.77Å; S227-M231 VanDerWaalsContact O-N 3.08Å; S228-M231 PolarHBondContact O-N 3.3Å; M231-L233 VanDerWaalsContact C-N 3.34Å; M231-L234 PolarHBondContact O-N 3.34Å; M231-H235 WeakPolarHBondContact O-CB 3.18Å; M231-H235 PolarHBondContact O-N 3.47Å
232E88.6Confident88.6Confident140 Ų14088.5 Ų88.565%0.65448%0.478SS*.Hα-helixtrans-62.8-41.1174.2-74.4175.1-171.900111.8S228 A229 H235 R236S228-E232 WeakPolarHBondContact O-CG 3.32Å; S228-E232 PolarHBondContact O-N 3.29Å; A229-E232 PolarHBondContact O-N 2.83Å; E232-H235 PolarHBondContact O-N 2.89Å; E232-R236 WeakPolarHBondContact O-CB 3.21Å; E232-R236 PolarHBondContact O-N 3.45Å
233L88.3Confident89.1Confident47 Ų4791.2 Ų91.225%0.24649%0.49CS..Hα-helixtrans-63.8-45.1175.1179.961.5000111.5L222 A229 L230 M231 R236 V237L222-L233 HydrophobicContact CD2-CD2 3.75Å; A229-L233 WeakPolarHBondContact O-CB 3.35Å; A229-L233 PolarHBondContact O-N 2.91Å; L230-L233 PolarHBondContact O-N 3.28Å; M231-L233 VanDerWaalsContact C-N 3.34Å; L233-R236 PolarHBondContact O-N 2.78Å; L233-V237 HydrophobicContact CD1-CG2 4.3Å; L233-V237 WeakPolarHBondContact O-CG2 3.45Å; L233-V237 PolarHBondContact O-N 2.97Å
234L87.6Confident89.8Confident95 Ų9591.9 Ų91.950%0.49748%0.482SS..Hα-helixtrans-57.9-50.8175.6-179.569.1000110.6L230 M231 R236 V237 E238L230-L234 WeakPolarHBondContact O-CB 3.17Å; L230-L234 PolarHBondContact O-N 3.39Å; M231-L234 PolarHBondContact O-N 3.34Å; L234-R236 VanDerWaalsContact C-N 3.29Å; L234-R236 PolarHBondContact O-N 2.91Å; L234-V237 PolarHBondContact O-N 3.28Å; L234-V237 VanDerWaalsContact O-N 3.13Å; L234-E238 HydrophobicContact CD1-CG 4.3Å; L234-E238 HydrophobicContact CG-CG 4.32Å; L234-E238 WeakPolarHBondContact O-CB 3.32Å; L234-E238 WeakPolarHBondContact O-CG 3.34Å; L234-E238 PolarHBondContact O-N 2.94Å
235H91.3Very high90.4Very high115 Ų11589.6 Ų89.653%0.53247%0.467SS..Hα-helixtrans-60.4-38.8179.1-177.9-99.9000112.1M231 E232 A239M231-H235 WeakPolarHBondContact O-CB 3.18Å; M231-H235 PolarHBondContact O-N 3.47Å; E232-H235 PolarHBondContact O-N 2.89Å; H235-A239 VanDerWaalsContact O-CB 3.24Å; H235-A239 WeakPolarHBondContact O-CB 3.39Å; H235-A239 PolarHBondContact O-N 2.95Å
236R89.6Confident90.9Very high185 Ų18592.7 Ų92.770%0.69848%0.48SS*.Hα-helixtrans-63.3-45175-179.7179.1175.6179.5-1111.8E232 L233 L234 A239 A240E232-R236 WeakPolarHBondContact O-CB 3.21Å; E232-R236 PolarHBondContact O-N 3.45Å; L233-R236 PolarHBondContact O-N 2.78Å; L234-R236 VanDerWaalsContact C-N 3.29Å; L234-R236 PolarHBondContact O-N 2.91Å; R236-A239 PolarHBondContact O-N 3.36Å; R236-A240 WeakPolarHBondContact O-CB 3.37Å; R236-A240 PolarHBondContact O-N 3.15Å
237V88Confident91Very high71 Ų7191.6 Ų91.643%0.4347%0.468SS..Hα-helixtrans-66-44.3178171.10000110.4L233 L234 A239 A240 I241L233-V237 HydrophobicContact CD1-CG2 4.3Å; L233-V237 WeakPolarHBondContact O-CG2 3.45Å; L233-V237 PolarHBondContact O-N 2.97Å; L234-V237 PolarHBondContact O-N 3.28Å; L234-V237 VanDerWaalsContact O-N 3.13Å; V237-A239 VanDerWaalsContact C-N 3.34Å; V237-A239 PolarHBondContact O-N 3.07Å; V237-A240 PolarHBondContact O-N 3.04Å; V237-I241 HydrophobicContact CG1-CD1 3.71Å; V237-I241 HydrophobicContact CG1-CG1 4.31Å; V237-I241 WeakPolarHBondContact O-CB 3.29Å; V237-I241 VanDerWaalsContact O-CG1 3.23Å; V237-I241 WeakPolarHBondContact O-CG1 3.39Å; V237-I241 PolarHBondContact O-N 2.87Å
238E91.8Very high91.4Very high88 Ų8891.4 Ų91.441%0.41146%0.458SS..Hα-helixtrans-63.2-36.9176.2-72.5174.7163.100112.8L234 R242L234-E238 HydrophobicContact CD1-CG 4.3Å; L234-E238 HydrophobicContact CG-CG 4.32Å; L234-E238 WeakPolarHBondContact O-CB 3.32Å; L234-E238 WeakPolarHBondContact O-CG 3.34Å; L234-E238 PolarHBondContact O-N 2.94Å; E238-R242 WeakPolarHBondContact O-CG 3.4Å; E238-R242 PolarHBondContact O-N 3.26Å; E238-R242 VanDerWaalsContact O-N 3.12Å; E238-R242 PolarHBondContact O-NE 3.39Å
239A90.3Very high91.7Very high36 Ų3692.3 Ų92.330%0.29846%0.46SS..Hα-helixtrans-67.4-45.5174.400000111.2H235 R236 V237 R242 E243H235-A239 VanDerWaalsContact O-CB 3.24Å; H235-A239 WeakPolarHBondContact O-CB 3.39Å; H235-A239 PolarHBondContact O-N 2.95Å; R236-A239 PolarHBondContact O-N 3.36Å; V237-A239 VanDerWaalsContact C-N 3.34Å; V237-A239 PolarHBondContact O-N 3.07Å; A239-R242 PolarHBondContact O-N 3.46Å; A239-E243 PolarHBondContact O-N 3.1Å
240A90.1Very high92.1Very high29 Ų2994.8 Ų94.824%0.2447%0.47CS..Hα-helixtrans-62.5-44.617700000111.7R236 V237 R242 E243 Y244R236-A240 WeakPolarHBondContact O-CB 3.37Å; R236-A240 PolarHBondContact O-N 3.15Å; V237-A240 PolarHBondContact O-N 3.04Å; A240-R242 VanDerWaalsContact C-N 3.29Å; A240-R242 PolarHBondContact O-N 3.24Å; A240-E243 PolarHBondContact O-N 3.41Å; A240-Y244 HydrophobicContact CB-CD2 4.27Å; A240-Y244 HydrophobicContact CB-CE2 3.89Å; A240-Y244 WeakPolarHBondContact O-CD2 3.33Å; A240-Y244 PolarHBondContact O-N 2.85Å
241I92.7Very high92.6Very high104 Ų10495.1 Ų95.153%0.53347%0.469SS..Hα-helixtrans-57.2-44.8175.3-71.3167000110.5V237 S245V237-I241 HydrophobicContact CG1-CD1 3.71Å; V237-I241 HydrophobicContact CG1-CG1 4.31Å; V237-I241 WeakPolarHBondContact O-CB 3.29Å; V237-I241 VanDerWaalsContact O-CG1 3.23Å; V237-I241 WeakPolarHBondContact O-CG1 3.39Å; V237-I241 PolarHBondContact O-N 2.87Å; I241-S245 WeakPolarHBondContact O-CB 3.36Å; I241-S245 PolarHBondContact O-N 2.93Å; I241-S245 PolarHBondContact O-OG 3.23Å
242R95Very high93Very high142 Ų14292 Ų9254%0.53645%0.454SS..Hα-helixtrans-61.4-49.7177.7-79.3-178.9-76.2155.6-8.3111.7E238 A239 A240 Y244 S245 E246E238-R242 WeakPolarHBondContact O-CG 3.4Å; E238-R242 PolarHBondContact O-N 3.26Å; E238-R242 VanDerWaalsContact O-N 3.12Å; E238-R242 PolarHBondContact O-NE 3.39Å; A239-R242 PolarHBondContact O-N 3.46Å; A240-R242 VanDerWaalsContact C-N 3.29Å; A240-R242 PolarHBondContact O-N 3.24Å; R242-Y244 PolarHBondContact O-N 3.25Å; R242-S245 WeakPolarHBondContact CA-OG 3.32Å; R242-S245 PolarHBondContact O-N 3.29Å; R242-S245 PolarHBondContact O-OG 3.21Å; R242-E246 WeakPolarHBondContact O-CB 3.44Å; R242-E246 PolarHBondContact O-N 3.47Å
243E91.9Very high93.4Very high107 Ų10788.1 Ų88.150%0.545%0.446SS..Hα-helixtrans-59.6-47.6179.3-173.6173.6-170.300111.9R197 A239 A240 S245 E246 E247R197-E243 IonicContact NH2-OE1 2.6Å; A239-E243 PolarHBondContact O-N 3.1Å; A240-E243 PolarHBondContact O-N 3.41Å; E243-S245 VanDerWaalsContact C-N 3.34Å; E243-S245 PolarHBondContact O-N 3.34Å; E243-E246 PolarHBondContact O-N 3.17Å; E243-E247 WeakPolarHBondContact O-CB 3.5Å; E243-E247 PolarHBondContact O-N 3.44Å
244Y92.4Very high93.9Very high87 Ų8794.5 Ų94.534%0.34147%0.467SS..Hα-helixtrans-67.5-34177.7-63.2-49.3000112.9L209 A240 R242 L248L209-Y244 HydrophobicContact CD1-CE2 4.45Å; L209-Y244 HydrophobicContact CD2-CD2 4.01Å; L209-Y244 HydrophobicContact CD2-CE2 3.39Å; L209-Y244 HydrophobicContact CG-CE2 4.18Å; A240-Y244 HydrophobicContact CB-CD2 4.27Å; A240-Y244 HydrophobicContact CB-CE2 3.89Å; A240-Y244 WeakPolarHBondContact O-CD2 3.33Å; A240-Y244 PolarHBondContact O-N 2.85Å; R242-Y244 PolarHBondContact O-N 3.25Å; Y244-L248 WeakPolarHBondContact O-CB 3.43Å; Y244-L248 PolarHBondContact O-N 3.26Å
245S96.3Very high94.4Very high59 Ų5996.7 Ų96.741%0.41347%0.469SS..Hα-helixtrans-67.5-38.6175.670.80000112I241 R242 E243 L248 V249I241-S245 WeakPolarHBondContact O-CB 3.36Å; I241-S245 PolarHBondContact O-N 2.93Å; I241-S245 PolarHBondContact O-OG 3.23Å; R242-S245 WeakPolarHBondContact CA-OG 3.32Å; R242-S245 PolarHBondContact O-N 3.29Å; R242-S245 PolarHBondContact O-OG 3.21Å; E243-S245 VanDerWaalsContact C-N 3.34Å; E243-S245 PolarHBondContact O-N 3.34Å; S245-L248 PolarHBondContact O-N 3.02Å; S245-V249 VanDerWaalsContact O-CG2 3.32Å; S245-V249 WeakPolarHBondContact O-CG2 3.33Å; S245-V249 PolarHBondContact O-N 2.78Å
246E95.4Very high94.7Very high129 Ų12994.9 Ų94.960%0.60346%0.463SS*.Hα-helixtrans-66.5-45.5175.4-176.3178.2171.700110.7R242 E243 L248 V249 N250R242-E246 WeakPolarHBondContact O-CB 3.44Å; R242-E246 PolarHBondContact O-N 3.47Å; E243-E246 PolarHBondContact O-N 3.17Å; E246-L248 VanDerWaalsContact C-N 3.33Å; E246-L248 PolarHBondContact O-N 2.84Å; E246-V249 PolarHBondContact O-N 3.31Å; E246-N250 PolarHBondContact O-N 3.44Å; E246-N250 PolarHBondContact O-ND2 3.21Å
247E95.1Very high95.1Very high59 Ų5991.8 Ų91.828%0.27646%0.457SS..Hα-helixtrans-60.3-42.7175.8-175.355.8-144.200111.7E243 V249 N250 Q251E243-E247 WeakPolarHBondContact O-CB 3.5Å; E243-E247 PolarHBondContact O-N 3.44Å; E247-V249 VanDerWaalsContact C-N 3.35Å; E247-V249 PolarHBondContact O-N 2.9Å; E247-N250 PolarHBondContact O-N 2.76Å; E247-Q251 WeakPolarHBondContact O-CG 3.29Å; E247-Q251 PolarHBondContact O-N 3.32Å; E247-Q251 WeakPolarHBondContact OE1-CG 3.41Å; E247-Q251 PolarHBondContact OE1-NE2 3.42Å
248L97.3Very high95.6Very high103 Ų10392.9 Ų92.954%0.53946%0.46SS..Hα-helixtrans-59.8-44.5175.1177.562.7000111.9Y244 S245 E246 N250 Q251 L252Y244-L248 WeakPolarHBondContact O-CB 3.43Å; Y244-L248 PolarHBondContact O-N 3.26Å; S245-L248 PolarHBondContact O-N 3.02Å; E246-L248 VanDerWaalsContact C-N 3.33Å; E246-L248 PolarHBondContact O-N 2.84Å; L248-N250 VanDerWaalsContact C-N 3.34Å; L248-Q251 PolarHBondContact O-N 2.88Å; L248-L252 HydrophobicContact CD1-CD1 4.28Å; L248-L252 HydrophobicContact CD1-CG 4.3Å; L248-L252 HydrophobicContact CG-CD1 4.16Å; L248-L252 WeakPolarHBondContact O-CB 3.31Å; L248-L252 VanDerWaalsContact O-CG 3.3Å; L248-L252 WeakPolarHBondContact O-CG 3.16Å; L248-L252 PolarHBondContact O-N 2.93Å
249V98.1Very high95.9Very high94 Ų9494.5 Ų94.557%0.5747%0.467SS*.Hα-helixtrans-61.7-44.1176.9170.10000110.7S245 E246 E247 Q251 L252 A253S245-V249 VanDerWaalsContact O-CG2 3.32Å; S245-V249 WeakPolarHBondContact O-CG2 3.33Å; S245-V249 PolarHBondContact O-N 2.78Å; E246-V249 PolarHBondContact O-N 3.31Å; E247-V249 VanDerWaalsContact C-N 3.35Å; E247-V249 PolarHBondContact O-N 2.9Å; V249-Q251 PolarHBondContact O-N 3.42Å; V249-L252 PolarHBondContact O-N 3.48Å; V249-A253 WeakPolarHBondContact O-CB 3.33Å; V249-A253 PolarHBondContact O-N 3.46Å
250N96.9Very high96.3Very high83 Ų8398.4 Ų98.444%0.44448%0.478SS..Hα-helixtrans-62.5-42.4177.4-71.9-30.1000112.1E246 E247 L248 A253 R254E246-N250 PolarHBondContact O-N 3.44Å; E246-N250 PolarHBondContact O-ND2 3.21Å; E247-N250 PolarHBondContact O-N 2.76Å; L248-N250 VanDerWaalsContact C-N 3.34Å; N250-A253 PolarHBondContact O-N 3.12Å; N250-R254 WeakPolarHBondContact O-CB 3.36Å; N250-R254 PolarHBondContact O-N 3.49Å
251Q97.8Very high96.7Very high85 Ų85101 Ų10140%0.39749%0.485SS..Hα-helixtrans-66.4-39.3177-72.6-171.333.300112.4E247 L248 V249 R254 R255E247-Q251 WeakPolarHBondContact O-CG 3.29Å; E247-Q251 PolarHBondContact O-N 3.32Å; E247-Q251 WeakPolarHBondContact OE1-CG 3.41Å; E247-Q251 PolarHBondContact OE1-NE2 3.42Å; L248-Q251 PolarHBondContact O-N 2.88Å; V249-Q251 PolarHBondContact O-N 3.42Å; Q251-R254 PolarHBondContact O-N 3.46Å; Q251-R255 WeakPolarHBondContact O-CB 3.06Å; Q251-R255 PolarHBondContact O-N 3.11Å
252L97.8Very high97Very high73 Ų73102.5 Ų102.538%0.38249%0.488SS..Hα-helixtrans-63.7-45.7174.5-72.9172.4000111.4L248 V249 R254 R255 D256L248-L252 HydrophobicContact CD1-CD1 4.28Å; L248-L252 HydrophobicContact CD1-CG 4.3Å; L248-L252 HydrophobicContact CG-CD1 4.16Å; L248-L252 WeakPolarHBondContact O-CB 3.31Å; L248-L252 VanDerWaalsContact O-CG 3.3Å; L248-L252 WeakPolarHBondContact O-CG 3.16Å; L248-L252 PolarHBondContact O-N 2.93Å; V249-L252 PolarHBondContact O-N 3.48Å; L252-R254 PolarHBondContact O-N 3.42Å; L252-R255 WeakPolarHBondContact O-CB 3.23Å; L252-R255 PolarHBondContact O-N 2.86Å; L252-D256 VanDerWaalsContact O-CG 3.28Å; L252-D256 PolarHBondContact O-N 2.81Å
253A98Very high97.1Very high59 Ų59101.5 Ų101.549%0.48849%0.489SS..Hα-helixtrans-60.3-44.2176.300000111.9V249 N250 R255 D256 E257V249-A253 WeakPolarHBondContact O-CB 3.33Å; V249-A253 PolarHBondContact O-N 3.46Å; N250-A253 PolarHBondContact O-N 3.12Å; A253-R255 VanDerWaalsContact C-N 3.33Å; A253-R255 PolarHBondContact O-N 2.9Å; A253-D256 PolarHBondContact O-N 3.33Å; A253-E257 PolarHBondContact O-N 2.86Å
254R98Very high97.5Very high181 Ų18199.8 Ų99.868%0.68349%0.486SS*.Hα-helixtrans-62.5-39.9176.1-174.7179.7-179.8103.10.2112N250 Q251 L252 L258N250-R254 WeakPolarHBondContact O-CB 3.36Å; N250-R254 PolarHBondContact O-N 3.49Å; Q251-R254 PolarHBondContact O-N 3.46Å; L252-R254 PolarHBondContact O-N 3.42Å; R254-L258 HydrophobicContact CG-CD1 4.35Å; R254-L258 VanDerWaalsContact O-CG 3.32Å; R254-L258 WeakPolarHBondContact O-CG 3.22Å; R254-L258 PolarHBondContact O-N 2.86Å; R254-L258 VanDerWaalsContact O-N 3.09Å
255R98.2Very high97.8Very high141 Ų141101.1 Ų101.153%0.53249%0.493SS..Hα-helixtrans-63.3-44.6177.3-178.4-16266.7148.84.6111.2Q251 L252 A253 E257 L258 E259Q251-R255 WeakPolarHBondContact O-CB 3.06Å; Q251-R255 PolarHBondContact O-N 3.11Å; L252-R255 WeakPolarHBondContact O-CB 3.23Å; L252-R255 PolarHBondContact O-N 2.86Å; A253-R255 VanDerWaalsContact C-N 3.33Å; A253-R255 PolarHBondContact O-N 2.9Å; R255-E257 VanDerWaalsContact C-N 3.35Å; R255-L258 PolarHBondContact O-N 3.09Å; R255-E259 PolarHBondContact O-N 3.09Å
256D98.4Very high97.8Very high77 Ų77102.1 Ų102.141%0.41249%0.494SS..Hα-helixtrans-66-38.7-179.5-64.6-2.8000111.1L252 A253 E259 F260L252-D256 VanDerWaalsContact O-CG 3.28Å; L252-D256 PolarHBondContact O-N 2.81Å; A253-D256 PolarHBondContact O-N 3.33Å; D256-E259 PolarHBondContact O-N 3.25Å; D256-F260 WeakPolarHBondContact O-CB 3.18Å; D256-F260 PolarHBondContact O-N 3.18Å
257E98.4Very high98Very high121 Ų121100 Ų10057%0.56549%0.49SS*.Hα-helixtrans-60.9-45.1173.1-174.563.1-145.900111.9A253 R255 E259 F260 E261A253-E257 PolarHBondContact O-N 2.86Å; R255-E257 VanDerWaalsContact C-N 3.35Å; E257-E259 VanDerWaalsContact C-N 3.34Å; E257-E259 PolarHBondContact O-N 3.41Å; E257-F260 WeakPolarHBondContact O-CB 3.41Å; E257-F260 PolarHBondContact O-N 2.79Å; E257-E261 PolarHBondContact O-N 2.78Å
258L98.3Very high98.1Very high94 Ų94103.6 Ų103.649%0.49251%0.505SS..Hα-helixtrans-66.3-36177.4-70.4172.4000112.3R254 R255 K262R254-L258 HydrophobicContact CG-CD1 4.35Å; R254-L258 VanDerWaalsContact O-CG 3.32Å; R254-L258 WeakPolarHBondContact O-CG 3.22Å; R254-L258 PolarHBondContact O-N 2.86Å; R254-L258 VanDerWaalsContact O-N 3.09Å; R255-L258 PolarHBondContact O-N 3.09Å; L258-K262 VanDerWaalsContact O-CB 3.25Å; L258-K262 WeakPolarHBondContact O-CB 3.25Å; L258-K262 PolarHBondContact O-N 3.48Å
259E98.2Very high98.2Very high122 Ų122103.2 Ų103.257%0.5750%0.502SS*.Hα-helixtrans-64.6-43.5174.3-176164.3-14700111R255 D256 E257 K262 E263R255-E259 PolarHBondContact O-N 3.09Å; D256-E259 PolarHBondContact O-N 3.25Å; E257-E259 VanDerWaalsContact C-N 3.34Å; E257-E259 PolarHBondContact O-N 3.41Å; E259-K262 PolarHBondContact O-N 2.96Å; E259-E263 WeakPolarHBondContact O-CB 3.5Å; E259-E263 PolarHBondContact O-N 3.03Å
260F98.4Very high98.2Very high118 Ų118102.7 Ų102.752%0.51850%0.499SS..Hα-helixtrans-60.6-49.3173.8175.3-103.1000111.8D256 E257 K262 E263 V264D256-F260 WeakPolarHBondContact O-CB 3.18Å; D256-F260 PolarHBondContact O-N 3.18Å; E257-F260 WeakPolarHBondContact O-CB 3.41Å; E257-F260 PolarHBondContact O-N 2.79Å; F260-K262 VanDerWaalsContact C-N 3.28Å; F260-K262 PolarHBondContact O-N 2.92Å; F260-E263 PolarHBondContact O-N 2.95Å; F260-E263 VanDerWaalsContact O-N 3.11Å; F260-V264 HydrophobicContact CD1-CG2 4.23Å; F260-V264 HydrophobicContact CD2-CG2 4.27Å; F260-V264 HydrophobicContact CE1-CG2 3.78Å; F260-V264 HydrophobicContact CE2-CG2 3.84Å; F260-V264 HydrophobicContact CG-CG2 4.46Å; F260-V264 HydrophobicContact CZ-CG2 3.57Å; F260-V264 WeakPolarHBondContact O-CG2 3.44Å; F260-V264 PolarHBondContact O-N 2.6Å
261E98.4Very high98.2Very high82 Ų82101 Ų10138%0.38350%0.497SS..Hα-helixtrans-60.1-40.9179-166-169.4154.800111.5E257 V264 K265E257-E261 PolarHBondContact O-N 2.78Å; E261-V264 PolarHBondContact O-N 3.46Å; E261-K265 HydrophobicContact CG-CD 4.35Å; E261-K265 WeakPolarHBondContact O-CB 3.33Å; E261-K265 WeakPolarHBondContact O-CG 3.4Å; E261-K265 PolarHBondContact O-N 3.44Å; E261-K265 WeakPolarHBondContact OE1-CE 3.33Å; E261-K265 IonicContact OE1-NZ 3.47Å; E261-K265 PolarHBondContact OE1-NZ 3.37Å
262K98.4Very high98.2Very high137 Ų137100.7 Ų100.760%0.59650%0.497SS*.Hα-helixtrans-62.9-43.9174.3179-175.5175.1-173.70111.7L258 E259 F260 K265 N266L258-K262 VanDerWaalsContact O-CB 3.25Å; L258-K262 WeakPolarHBondContact O-CB 3.25Å; L258-K262 PolarHBondContact O-N 3.48Å; E259-K262 PolarHBondContact O-N 2.96Å; F260-K262 VanDerWaalsContact C-N 3.28Å; F260-K262 PolarHBondContact O-N 2.92Å; K262-K265 PolarHBondContact O-N 3.47Å; K262-N266 VanDerWaalsContact O-CB 3.31Å; K262-N266 WeakPolarHBondContact O-CB 3.43Å; K262-N266 VanDerWaalsContact O-CG 3.29Å; K262-N266 PolarHBondContact O-N 2.96Å; K262-N266 PolarHBondContact O-ND2 2.59Å
263E98.4Very high98.2Very high121 Ų121102.1 Ų102.157%0.56550%0.504SS*.Hα-helixtrans-62.3-44.4176.8-175.3176.9-177.500111.1E259 F260 N266 T267E259-E263 WeakPolarHBondContact O-CB 3.5Å; E259-E263 PolarHBondContact O-N 3.03Å; F260-E263 PolarHBondContact O-N 2.95Å; F260-E263 VanDerWaalsContact O-N 3.11Å; E263-N266 PolarHBondContact O-N 3.33Å; E263-T267 VanDerWaalsContact O-CB 3.29Å; E263-T267 WeakPolarHBondContact O-CB 3.17Å; E263-T267 PolarHBondContact O-N 3.05Å; E263-T267 PolarHBondContact O-OG1 3.34Å
264V98.7Very high98.1Very high71 Ų71103.9 Ų103.943%0.4350%0.502SS..Hα-helixtrans-60.2-48.4176171.10000110.8F260 E261 N266 T267 F268F260-V264 HydrophobicContact CD1-CG2 4.23Å; F260-V264 HydrophobicContact CD2-CG2 4.27Å; F260-V264 HydrophobicContact CE1-CG2 3.78Å; F260-V264 HydrophobicContact CE2-CG2 3.84Å; F260-V264 HydrophobicContact CG-CG2 4.46Å; F260-V264 HydrophobicContact CZ-CG2 3.57Å; F260-V264 WeakPolarHBondContact O-CG2 3.44Å; F260-V264 PolarHBondContact O-N 2.6Å; E261-V264 PolarHBondContact O-N 3.46Å; V264-N266 PolarHBondContact O-N 3.09Å; V264-T267 PolarHBondContact O-N 3.3Å; V264-F268 WeakPolarHBondContact O-CB 3.47Å; V264-F268 PolarHBondContact O-N 2.99Å
265K98.3Very high98.1Very high115 Ų11598.9 Ų98.950%0.549%0.491SS..Hα-helixtrans-60.6-45.4176.6-76.9172.2170.4170.10111.7E261 K262 T267 F268 I269E261-K265 HydrophobicContact CG-CD 4.35Å; E261-K265 WeakPolarHBondContact O-CB 3.33Å; E261-K265 WeakPolarHBondContact O-CG 3.4Å; E261-K265 PolarHBondContact O-N 3.44Å; E261-K265 WeakPolarHBondContact OE1-CE 3.33Å; E261-K265 IonicContact OE1-NZ 3.47Å; E261-K265 PolarHBondContact OE1-NZ 3.37Å; K262-K265 PolarHBondContact O-N 3.47Å; K265-T267 VanDerWaalsContact C-N 3.33Å; K265-T267 PolarHBondContact O-N 2.89Å; K265-F268 PolarHBondContact O-N 3.45Å; K265-I269 VanDerWaalsContact O-CG1 3.25Å; K265-I269 WeakPolarHBondContact O-CG1 3.31Å; K265-I269 PolarHBondContact O-N 2.93Å
266N98.1Very high98Very high80 Ų8097.6 Ų97.643%0.42849%0.491SS..Hα-helixtrans-64-38.5177.2-78.9-21.5000112.5K262 E263 V264 I269 T270K262-N266 VanDerWaalsContact O-CB 3.31Å; K262-N266 WeakPolarHBondContact O-CB 3.43Å; K262-N266 VanDerWaalsContact O-CG 3.29Å; K262-N266 PolarHBondContact O-N 2.96Å; K262-N266 PolarHBondContact O-ND2 2.59Å; E263-N266 PolarHBondContact O-N 3.33Å; V264-N266 PolarHBondContact O-N 3.09Å; N266-I269 PolarHBondContact O-N 3.3Å; N266-T270 WeakPolarHBondContact O-CB 3.45Å; N266-T270 PolarHBondContact O-N 3.5Å; N266-T270 PolarHBondContact O-OG1 3.12Å
267T98.4Very high97.8Very high85 Ų8598.3 Ų98.352%0.52150%0.495SS..Hα-helixtrans-64.3-45.3175.8-61.70000110.3E263 V264 K265 T270 A271E263-T267 VanDerWaalsContact O-CB 3.29Å; E263-T267 WeakPolarHBondContact O-CB 3.17Å; E263-T267 PolarHBondContact O-N 3.05Å; E263-T267 PolarHBondContact O-OG1 3.34Å; V264-T267 PolarHBondContact O-N 3.3Å; K265-T267 VanDerWaalsContact C-N 3.33Å; K265-T267 PolarHBondContact O-N 2.89Å; T267-T270 PolarHBondContact O-N 2.9Å; T267-A271 WeakPolarHBondContact O-CB 3.32Å; T267-A271 PolarHBondContact O-N 3.1Å
268F98.5Very high97.7Very high134 Ų13499.7 Ų99.759%0.58850%0.495SS*.Hα-helixtrans-60.5-47.5175.6176.3-99.8000112V264 K265 T270 A271 L272V264-F268 WeakPolarHBondContact O-CB 3.47Å; V264-F268 PolarHBondContact O-N 2.99Å; K265-F268 PolarHBondContact O-N 3.45Å; F268-T270 VanDerWaalsContact C-N 3.29Å; F268-T270 PolarHBondContact O-N 2.92Å; F268-A271 PolarHBondContact O-N 3.31Å; F268-L272 HydrophobicContact CE1-CD2 4.28Å; F268-L272 WeakPolarHBondContact O-CB 3.48Å; F268-L272 PolarHBondContact O-N 3.43Å
269I97.9Very high97.4Very high94 Ų94100.6 Ų100.648%0.48250%0.497SS..Hα-helixtrans-58.6-44.3177-69163.8000110.5K265 N266 L272 M273K265-I269 VanDerWaalsContact O-CG1 3.25Å; K265-I269 WeakPolarHBondContact O-CG1 3.31Å; K265-I269 PolarHBondContact O-N 2.93Å; N266-I269 PolarHBondContact O-N 3.3Å; I269-L272 PolarHBondContact O-N 3.34Å; I269-M273 WeakPolarHBondContact O-CB 3.37Å; I269-M273 PolarHBondContact O-N 3.05Å
270T98.1Very high97.2Very high83 Ų83100.3 Ų100.351%0.50949%0.493SS..Hα-helixtrans-62.2-46.7178.9-58.50000111.4N266 T267 F268 M273 E274N266-T270 WeakPolarHBondContact O-CB 3.45Å; N266-T270 PolarHBondContact O-N 3.5Å; N266-T270 PolarHBondContact O-OG1 3.12Å; T267-T270 PolarHBondContact O-N 2.9Å; F268-T270 VanDerWaalsContact C-N 3.29Å; F268-T270 PolarHBondContact O-N 2.92Å; T270-M273 PolarHBondContact O-N 2.93Å; T270-E274 PolarHBondContact O-N 3.21Å
271A97.6Very high96.8Very high47 Ų47101.1 Ų101.139%0.38850%0.499SS..Hα-helixtrans-62.5-42.8176.300000112T267 F268 M273 E274 V275T267-A271 WeakPolarHBondContact O-CB 3.32Å; T267-A271 PolarHBondContact O-N 3.1Å; F268-A271 PolarHBondContact O-N 3.31Å; A271-M273 VanDerWaalsContact C-N 3.34Å; A271-M273 PolarHBondContact O-N 3.28Å; A271-E274 PolarHBondContact O-N 3.46Å; A271-V275 WeakPolarHBondContact O-CG2 3.48Å; A271-V275 PolarHBondContact O-N 2.77Å
272L98.1Very high96.3Very high79 Ų79103.8 Ų103.841%0.41451%0.511SS..Hα-helixtrans-61.2-44.7177.1-173.267.9000111.1F268 I269 E274 V275 Q276F268-L272 HydrophobicContact CE1-CD2 4.28Å; F268-L272 WeakPolarHBondContact O-CB 3.48Å; F268-L272 PolarHBondContact O-N 3.43Å; I269-L272 PolarHBondContact O-N 3.34Å; L272-E274 VanDerWaalsContact C-N 3.33Å; L272-E274 PolarHBondContact O-N 3.43Å; L272-V275 PolarHBondContact O-N 3.49Å; L272-Q276 WeakPolarHBondContact O-CG 3.3Å; L272-Q276 PolarHBondContact O-N 2.88Å
273M97Very high95.8Very high104 Ų104104.9 Ų104.951%0.51251%0.512SS..Hα-helixtrans-64.2-37.3177.4-169.3168.957.400111.8I269 T270 A271 Q276 N277I269-M273 WeakPolarHBondContact O-CB 3.37Å; I269-M273 PolarHBondContact O-N 3.05Å; T270-M273 PolarHBondContact O-N 2.93Å; A271-M273 VanDerWaalsContact C-N 3.34Å; A271-M273 PolarHBondContact O-N 3.28Å; M273-Q276 PolarHBondContact O-N 2.93Å; M273-N277 VanDerWaalsContact O-CB 3.32Å; M273-N277 WeakPolarHBondContact O-CB 3.25Å; M273-N277 PolarHBondContact O-N 2.94Å
274E97.3Very high95.1Very high96 Ų96102.4 Ų102.445%0.44950%0.503SS..Hα-helixtrans-64.2-45.6174-167.1-173170.500112T270 A271 L272 Q276 N277 R278T270-E274 PolarHBondContact O-N 3.21Å; A271-E274 PolarHBondContact O-N 3.46Å; L272-E274 VanDerWaalsContact C-N 3.33Å; L272-E274 PolarHBondContact O-N 3.43Å; E274-Q276 VanDerWaalsContact C-N 3.34Å; E274-Q276 PolarHBondContact O-N 3.42Å; E274-N277 PolarHBondContact O-N 3.33Å; E274-R278 WeakPolarHBondContact O-CB 3.46Å; E274-R278 WeakPolarHBondContact O-CG 3.34Å; E274-R278 PolarHBondContact O-N 3.2Å; E274-R278 IonicContact OE1-CZ 2.77Å; E274-R278 IonicContact OE1-NE 3.17Å; E274-R278 PolarHBondContact OE1-NE 2.94Å; E274-R278 IonicContact OE1-NH2 3.04Å; E274-R278 PolarHBondContact OE1-NH2 3.21Å
275V97.4Very high94.1Very high75 Ų75102 Ų10246%0.45550%0.503SS..Hα-helixtrans-60.1-46177.1171.60000110.6A271 L272 R278 Q279A271-V275 WeakPolarHBondContact O-CG2 3.48Å; A271-V275 PolarHBondContact O-N 2.77Å; L272-V275 PolarHBondContact O-N 3.49Å; V275-R278 PolarHBondContact O-N 3.37Å; V275-Q279 WeakPolarHBondContact O-CG 3.32Å; V275-Q279 PolarHBondContact O-N 2.92Å
276Q96.1Very high92.7Very high114 Ų114100 Ų10053%0.53350%0.503SS..Hα-helixtrans-63-42.1177-72.1-176.8-4.400112.1L272 M273 E274 Q279 K280L272-Q276 WeakPolarHBondContact O-CG 3.3Å; L272-Q276 PolarHBondContact O-N 2.88Å; M273-Q276 PolarHBondContact O-N 2.93Å; E274-Q276 VanDerWaalsContact C-N 3.34Å; E274-Q276 PolarHBondContact O-N 3.42Å; Q276-Q279 PolarHBondContact O-N 3.45Å; Q276-K280 WeakPolarHBondContact O-CB 3.42Å; Q276-K280 PolarHBondContact O-N 3.24Å
277N94.9Very high91.6Very high93 Ų93101.6 Ų101.650%0.49751%0.506SS..Hα-helixtrans-62.6-44.4175.6-84.4-21.1000111.9M273 E274 Q279 K280 E281M273-N277 VanDerWaalsContact O-CB 3.32Å; M273-N277 WeakPolarHBondContact O-CB 3.25Å; M273-N277 PolarHBondContact O-N 2.94Å; E274-N277 PolarHBondContact O-N 3.33Å; N277-Q279 PolarHBondContact O-N 3.44Å; N277-K280 PolarHBondContact O-N 3.02Å; N277-E281 WeakPolarHBondContact O-CB 3.49Å; N277-E281 PolarHBondContact O-N 3.07Å
278R94.6Very high90.2Very high150 Ų150106.4 Ų106.457%0.56652%0.515SS*.Hα-helixtrans-62.2-41.6174.6-73.8-179-177.1-1592.6111.8E274 V275 E281 Q282E274-R278 WeakPolarHBondContact O-CB 3.46Å; E274-R278 WeakPolarHBondContact O-CG 3.34Å; E274-R278 PolarHBondContact O-N 3.2Å; E274-R278 IonicContact OE1-CZ 2.77Å; E274-R278 IonicContact OE1-NE 3.17Å; E274-R278 PolarHBondContact OE1-NE 2.94Å; E274-R278 IonicContact OE1-NH2 3.04Å; E274-R278 PolarHBondContact OE1-NH2 3.21Å; V275-R278 PolarHBondContact O-N 3.37Å; R278-E281 PolarHBondContact O-N 3.44Å; R278-Q282 WeakPolarHBondContact O-CG 3.45Å; R278-Q282 PolarHBondContact O-N 3.06Å
279Q93.1Very high88.6Confident112 Ų112107.5 Ų107.552%0.52352%0.519SS..Hα-helixtrans-64.1-40.9175.3-75.3-17319.100112.2V275 Q276 N277 Q282 R283V275-Q279 WeakPolarHBondContact O-CG 3.32Å; V275-Q279 PolarHBondContact O-N 2.92Å; Q276-Q279 PolarHBondContact O-N 3.45Å; N277-Q279 PolarHBondContact O-N 3.44Å; Q279-Q282 PolarHBondContact O-N 3.49Å; Q279-R283 PolarHBondContact O-N 2.96Å
280K93Very high86.8Confident116 Ų116113 Ų11350%0.50453%0.534SS..Hα-helixtrans-62.6-46174.7-175.4179.4177.4-1780110.7Q276 N277 Q282 R283 D284Q276-K280 WeakPolarHBondContact O-CB 3.42Å; Q276-K280 PolarHBondContact O-N 3.24Å; N277-K280 PolarHBondContact O-N 3.02Å; K280-Q282 VanDerWaalsContact C-N 3.34Å; K280-Q282 PolarHBondContact O-N 3.01Å; K280-R283 PolarHBondContact O-N 2.72Å; K280-D284 WeakPolarHBondContact O-CB 3.21Å; K280-D284 PolarHBondContact O-N 3.49Å
281E90.7Very high85Confident136 Ų136117.6 Ų117.664%0.63654%0.542SS*.Hα-helixtrans-61.9-39175.9-171.6176.6-163.500112.2N277 R278 D284 S285N277-E281 WeakPolarHBondContact O-CB 3.49Å; N277-E281 PolarHBondContact O-N 3.07Å; R278-E281 PolarHBondContact O-N 3.44Å; E281-D284 PolarHBondContact O-N 2.93Å; E281-S285 WeakPolarHBondContact O-CB 3.49Å; E281-S285 PolarHBondContact O-N 3.23Å; E281-S285 PolarHBondContact O-OG 3.24Å
282Q88.3Confident83.1Confident138 Ų138120 Ų12065%0.64555%0.549SS*.Hα-helixtrans-64-41.7173.4-76-164.617.300112.6R278 Q279 K280 S285 S286R278-Q282 WeakPolarHBondContact O-CG 3.45Å; R278-Q282 PolarHBondContact O-N 3.06Å; Q279-Q282 PolarHBondContact O-N 3.49Å; K280-Q282 VanDerWaalsContact C-N 3.34Å; K280-Q282 PolarHBondContact O-N 3.01Å; Q282-S285 WeakPolarHBondContact CA-OG 3.49Å; Q282-S285 PolarHBondContact O-OG 3.17Å; Q282-S285 VanDerWaalsContact O-OG 3.05Å; Q282-S286 VanDerWaalsContact O-CB 3.31Å; Q282-S286 WeakPolarHBondContact O-CB 3.46Å; Q282-S286 PolarHBondContact O-N 3.27Å; Q282-S286 VanDerWaalsContact O-N 3.1Å; Q282-S286 PolarHBondContact O-OG 3.44Å
283R86.6Confident81.1Confident159 Ų159123.5 Ų123.560%0.656%0.56SS**Hα-helixtrans-64.4-40.8174.3-77.9-169.4-71.2151.6-4111.8Q279 K280 K287Q279-R283 PolarHBondContact O-N 2.96Å; K280-R283 PolarHBondContact O-N 2.72Å; R283-K287 WeakPolarHBondContact O-CG 3.32Å; R283-K287 PolarHBondContact O-N 2.88Å
284D84.9Confident79.1Confident70 Ų70121.5 Ų121.537%0.37456%0.56SS.*Hα-helixtrans-78.3-36.8-176.8-70.8-21.6000112.9K280 E281 S286 K287 R288K280-D284 WeakPolarHBondContact O-CB 3.21Å; K280-D284 PolarHBondContact O-N 3.49Å; E281-D284 PolarHBondContact O-N 2.93Å; D284-S286 VanDerWaalsContact C-N 3.33Å; D284-S286 PolarHBondContact O-N 2.94Å; D284-K287 PolarHBondContact O-N 2.91Å; D284-K287 IonicContact OD1-NZ 2.66Å; D284-K287 PolarHBondContact OD1-NZ 3.47Å; D284-R288 PolarHBondContact O-N 3.16Å
285S77Confident77.2Confident62 Ų62123 Ų12343%0.43457%0.571SS.*Hα-helixtrans-64.1-36.5171.359.30000112E281 Q282 R288 K289E281-S285 WeakPolarHBondContact O-CB 3.49Å; E281-S285 PolarHBondContact O-N 3.23Å; E281-S285 PolarHBondContact O-OG 3.24Å; Q282-S285 WeakPolarHBondContact CA-OG 3.49Å; Q282-S285 PolarHBondContact O-OG 3.17Å; Q282-S285 VanDerWaalsContact O-OG 3.05Å; S285-R288 PolarHBondContact O-N 3.12Å; S285-K289 WeakPolarHBondContact O-CB 3.35Å; S285-K289 PolarHBondContact O-N 3.12Å
286S69.5Low75.1Confident73 Ų73124.2 Ų124.251%0.5158%0.583SS.*Hα-helixtrans-64.5-38.7173.3-64.20000112.7Q282 D284 R290Q282-S286 VanDerWaalsContact O-CB 3.31Å; Q282-S286 WeakPolarHBondContact O-CB 3.46Å; Q282-S286 PolarHBondContact O-N 3.27Å; Q282-S286 VanDerWaalsContact O-N 3.1Å; Q282-S286 PolarHBondContact O-OG 3.44Å; D284-S286 VanDerWaalsContact C-N 3.33Å; D284-S286 PolarHBondContact O-N 2.94Å; S286-R290 PolarHBondContact O-N 3.31Å
287K73.8Confident73.2Confident113 Ų113125.9 Ų125.949%0.49160%0.595SS.*Hα-helixtrans-69.9-39.3174.7-69168.4-171.2167.30111.9R283 D284 R290 R291R283-K287 WeakPolarHBondContact O-CG 3.32Å; R283-K287 PolarHBondContact O-N 2.88Å; D284-K287 PolarHBondContact O-N 2.91Å; D284-K287 IonicContact OD1-NZ 2.66Å; D284-K287 PolarHBondContact OD1-NZ 3.47Å; K287-R290 PolarHBondContact O-N 2.7Å; K287-R291 PolarHBondContact O-N 3.44Å
288R70.8Confident71Confident186 Ų186129.9 Ų129.970%0.70261%0.61SS**Hα-helixtrans-62-48.6174.8-110.6174.3149.9163-6.1111.7D284 S285 R290 R291 D292D284-R288 PolarHBondContact O-N 3.16Å; S285-R288 PolarHBondContact O-N 3.12Å; R288-R290 PolarHBondContact O-N 2.82Å; R288-R291 WeakPolarHBondContact O-CA 3.22Å; R288-R291 WeakPolarHBondContact O-CB 3.41Å; R288-R291 PolarHBondContact O-N 2.86Å; R288-D292 PolarHBondContact O-N 3.37Å
289K64Low68.5Low157 Ų157126.1 Ų126.168%0.68362%0.619SS**Hα-helixtrans-60.4-30.8179.1-165.1169.5-178.81760113.3S285 K293S285-K289 WeakPolarHBondContact O-CB 3.35Å; S285-K289 PolarHBondContact O-N 3.12Å; K289-K293 WeakPolarHBondContact O-CB 3.24Å; K289-K293 PolarHBondContact O-N 3.16Å
290R60.4Low66.3Low210 Ų210124.6 Ų124.679%0.79263%0.633SS**Hα-helixtrans-72.2-37.6171.7-77.4-173.5178.3-173.41113S286 K287 R288 A294S286-R290 PolarHBondContact O-N 3.31Å; K287-R290 PolarHBondContact O-N 2.7Å; R288-R290 PolarHBondContact O-N 2.82Å; R290-A294 PolarHBondContact O-N 2.81Å
291R59.6Low64Low179 Ų179122.2 Ų122.268%0.67564%0.641SS**Hα-helixtrans-67.2-41.6174.4-87.8-171.3-129.2170.81112.4K287 R288 K293 A294 L295K287-R291 PolarHBondContact O-N 3.44Å; R288-R291 WeakPolarHBondContact O-CA 3.22Å; R288-R291 WeakPolarHBondContact O-CB 3.41Å; R288-R291 PolarHBondContact O-N 2.86Å; R291-K293 VanDerWaalsContact C-N 3.3Å; R291-K293 PolarHBondContact O-N 3.29Å; R291-A294 PolarHBondContact O-N 2.96Å; R291-A294 VanDerWaalsContact O-N 3.16Å; R291-L295 WeakPolarHBondContact O-CG 3.48Å; R291-L295 PolarHBondContact O-N 3.44Å
292D58.4Low61.6Low98 Ų98122.8 Ų122.852%0.52465%0.654SS.*Hα-helixtrans-67.2-32.6178.9-62.9-39.3000112R288 S296R288-D292 PolarHBondContact O-N 3.37Å; D292-S296 WeakPolarHBondContact O-CB 2.96Å; D292-S296 PolarHBondContact O-N 2.9Å; D292-S296 VanDerWaalsContact O-N 3.1Å
293K56.6Low59.2Low152 Ų152121 Ų12166%0.66166%0.662SS**Hα-helixtrans-68.9-32.8173.2-142.983.9172.8-176.60112.8K289 R291K289-K293 WeakPolarHBondContact O-CB 3.24Å; K289-K293 PolarHBondContact O-N 3.16Å; R291-K293 VanDerWaalsContact C-N 3.3Å; R291-K293 PolarHBondContact O-N 3.29Å
294A55.2Low57.4Low62 Ų62119 Ų11951%0.51267%0.67SS.*Hα-helixtrans-76.6-35.8177.500000112.3R290 R291 L297R290-A294 PolarHBondContact O-N 2.81Å; R291-A294 PolarHBondContact O-N 2.96Å; R291-A294 VanDerWaalsContact O-N 3.16Å; A294-L297 PolarHBondContact O-N 3.24Å
295L55.9Low55.1Low127 Ų127120.2 Ų120.267%0.66568%0.684SS**Hα-helixtrans-74.5-28.2176.4-68.7168.4000112.9R291 L297R291-L295 WeakPolarHBondContact O-CG 3.48Å; R291-L295 PolarHBondContact O-N 3.44Å; L295-L297 VanDerWaalsContact C-N 3.3Å; L295-L297 PolarHBondContact O-N 3.12Å
296S54.5Low53.1Low102 Ų102125.2 Ų125.271%0.71371%0.706SS**THydrogen-bonded Turntrans-72.9-17.7173.3-175.40000114D292D292-S296 WeakPolarHBondContact O-CB 2.96Å; D292-S296 PolarHBondContact O-N 2.9Å; D292-S296 VanDerWaalsContact O-N 3.1Å
297L54.6Low51.3Low149 Ų149125.5 Ų125.578%0.7872%0.721SS**THydrogen-bonded Turntrans-93.2-12.5177.1-85.3160.3000113.2A294 L295A294-L297 PolarHBondContact O-N 3.24Å; L295-L297 VanDerWaalsContact C-N 3.3Å; L295-L297 PolarHBondContact O-N 3.12Å
298Q49.8Very low49.3Very low176 Ų176123.7 Ų123.782%0.82273%0.734SS**SBendtrans-108.730.8179.4-157.476.149.500111.9
299G42.4Very low47.5Very low72 Ų72120.8 Ų120.874%0.74274%0.742SS**  trans-122.238.2178.900000112.8
300G45.6Very low46Very low80 Ų80117.9 Ų117.983%0.82575%0.748SS**  trans-135.576.5179.100000110.8
301G46.3Very low44.7Very low65 Ų65112.5 Ų112.567%0.6775%0.748SS**  trans-162.7106.3-179.300000113.3
302T38.9Very low43.5Very low149 Ų149109.8 Ų109.891%0.91476%0.757SS**  trans80.899.8158.671.20000119.4
303A38Very low42.5Very low99 Ų99111.1 Ų111.182%0.81877%0.774SS**  -161.8152.6121.200000110.1
304P48.5Very low41.3Very low117 Ų117107.3 Ų107.376%0.7678%0.778SS**  trans-106.4163.2-144.338.4-31.2000115.8
305S38Very low40.5Very low97 Ų97113.4 Ų113.468%0.67880%0.796SS**  trans40.4113.4147.865.20000119.7
306N34.5Very low39.5Very low166 Ų166116.6 Ų116.689%0.88880%0.804SS**  178.5134.999.2-109.5-9.4000113.1
307G31.1Very low38.7Very low80 Ų80118.2 Ų118.283%0.82581%0.81SS**  trans99.8110.4135.700000118.5
308G31.9Very low37.7Very low75 Ų75114.9 Ų114.977%0.77381%0.812SS**  trans108.384.2132.900000118
309S32.9Very low37.1Very low124 Ų124112.9 Ų112.987%0.86781%0.811SS**  trans25.1138.1131.4-51.30000122.5
310A32.3Very low37Very low97 Ų97117.8 Ų117.880%0.80282%0.817SS**  trans108.4100.213600000118.7
311A34.4Very low36.9Very low96 Ų96119.6 Ų119.679%0.79381%0.814SS**  trans25.6127.9131.600000120.3
312S34.4Very low37.1Very low122 Ų122123 Ų12385%0.85382%0.822SS**  172.7144.1105.548.70000113.1
313S36.4Very low37.3Very low126 Ų126125.3 Ų125.388%0.88182%0.819SS**  trans-59.7145.7171152.70000113.2
314G31.4Very low37.5Very low73 Ų73131.4 Ų131.475%0.75382%0.821SS**  trans-175.981.217100000115.2
315Q38Very low37.2Very low189 Ų189136.1 Ų136.188%0.88383%0.83SS**  trans-60.7131.2165.6-169.4179.982.800110.9
316K35.8Very low37.6Very low195 Ų195135 Ų13585%0.84882%0.822SS**  trans-164.7106.7161.2-108166.9-171.7-177.20112.9
317T37.3Very low38.4Very low136 Ų136134.8 Ų134.883%0.83482%0.818SS**  trans23.8112.5135.859.90000118.7
318G33.7Very low39.6Very low79 Ų79137 Ų13781%0.81481%0.806SS**  trans-130.3110.3164.100000110.1
319T37.5Very low40.4Very low133 Ų133135.3 Ų135.382%0.81679%0.789SS**  trans-62.9134.5-176.951.20000113.1P321T319-P321 WeakPolarHBondContact O-CD 3.32Å
320M40.2Very low41.1Very low175 Ų175134.7 Ų134.786%0.86278%0.776SS**  trans-68.6123.7166.9-69.9-79.4-77.300110.1V322M320-V322 PolarHBondContact O-N 2.84Å
321P44.1Very low41.8Very low118 Ų118133.4 Ų133.477%0.76676%0.761SS**  trans-83.4110.416630.5-25.2000108.9T319 K323T319-P321 WeakPolarHBondContact O-CD 3.32Å; P321-K323 VanDerWaalsContact C-N 3.34Å; P321-K323 PolarHBondContact O-N 3.43Å
322V50.2Low42.5Very low136 Ų136133.5 Ų133.582%0.82475%0.748SS**  trans-62.295.5163179.30000107.4M320 R324M320-V322 PolarHBondContact O-N 2.84Å; V322-R324 PolarHBondContact O-N 3.22Å
323K43.2Very low43.2Very low199 Ų199132.9 Ų132.987%0.86573%0.734SS**  trans-90.7104.1172.8-146.5166.1-175.1174.80107.6P321 F325P321-K323 VanDerWaalsContact C-N 3.34Å; P321-K323 PolarHBondContact O-N 3.43Å; K323-F325 PolarHBondContact O-N 3.04Å
324R41.4Very low43.9Very low226 Ų226133.1 Ų133.185%0.85373%0.725SS**  trans-43.3132.5174-56.8-180-170160.81.5109.6V322 S326V322-R324 PolarHBondContact O-N 3.22Å; R324-S326 PolarHBondContact O-N 3.49Å
325F42.2Very low44.8Very low216 Ų216135.8 Ų135.895%0.94772%0.718SS**  trans-51109.2164.6-78.5-90.1000107.9K323K323-F325 PolarHBondContact O-N 3.04Å
326S46.9Very low45.3Very low74 Ų74130.2 Ų130.252%0.51770%0.697SS.*  trans-82.9130.8173.288.70000108R324 E328R324-S326 PolarHBondContact O-N 3.49Å; S326-E328 WeakPolarHBondContact CB-OE2 3.44Å; S326-E328 PolarHBondContact O-N 2.71Å; S326-E328 VanDerWaalsContact O-N 3.13Å; S326-E328 PolarHBondContact OG-OE2 3.39Å
327M51.1Low45.5Very low161 Ų161122.7 Ų122.779%0.79367%0.674SS**THydrogen-bonded Turntrans-82.519.1-169.9-161.2166.867.900111.5G329M327-G329 VanDerWaalsContact C-N 3.33Å
328E56.5Low46.2Very low126 Ų126121.4 Ų121.459%0.58966%0.661SS**THydrogen-bonded Turntrans-84.4-10.2174.3-56.292.3-128.400112.3S326 L330 S331S326-E328 WeakPolarHBondContact CB-OE2 3.44Å; S326-E328 PolarHBondContact O-N 2.71Å; S326-E328 VanDerWaalsContact O-N 3.13Å; S326-E328 PolarHBondContact OG-OE2 3.39Å; E328-L330 VanDerWaalsContact C-N 3.33Å; E328-L330 PolarHBondContact O-N 3.45Å; E328-S331 PolarHBondContact O-N 3.27Å
329G48.4Very low46.9Very low40 Ų40126.5 Ų126.541%0.41266%0.656SS.*Hα-helixtrans-67.4-26.1178.700000114.8M327 I333M327-G329 VanDerWaalsContact C-N 3.33Å; G329-I333 WeakPolarHBondContact O-CD1 3.48Å; G329-I333 WeakPolarHBondContact O-CG1 3.23Å; G329-I333 PolarHBondContact O-N 2.95Å
330L48.5Very low47.4Very low112 Ų112127.5 Ų127.559%0.58665%0.651SS**Hα-helixtrans-77.4-25.7177.7-61.4176.5000112.5E328 I333 L334E328-L330 VanDerWaalsContact C-N 3.33Å; E328-L330 PolarHBondContact O-N 3.45Å; L330-I333 HydrophobicContact CD2-CD1 4.12Å; L330-I333 PolarHBondContact O-N 2.92Å; L330-L334 PolarHBondContact O-N 3.32Å; L330-L334 VanDerWaalsContact O-N 3.13Å
331S47.2Very low47.6Very low70 Ų70124.2 Ų124.249%0.4964%0.641SS.*Hα-helixtrans-69.9-38.1177.8-169.70000111.5E328 I333 L334 Q335E328-S331 PolarHBondContact O-N 3.27Å; S331-I333 VanDerWaalsContact C-N 3.33Å; S331-I333 PolarHBondContact O-N 3.23Å; S331-L334 PolarHBondContact O-N 2.91Å; S331-Q335 PolarHBondContact O-N 3.37Å; S331-Q335 VanDerWaalsContact O-N 3.07Å
332N48.7Very low47.8Very low97 Ų97123.6 Ų123.652%0.51963%0.627SS.*Hα-helixtrans-68.6-31.8171.8-77.8-39.8000112.3L334 Q335 T336N332-L334 VanDerWaalsContact C-N 3.34Å; N332-Q335 PolarHBondContact O-N 2.91Å; N332-T336 WeakPolarHBondContact O-CB 3.46Å; N332-T336 PolarHBondContact O-N 3.48Å; N332-T336 PolarHBondContact O-OG1 3.01Å
333I49.4Very low47.3Very low109 Ų109118.8 Ų118.856%0.55960%0.604SS**Hα-helixtrans-68.5-34.6177.3-69.4162000111.1G329 L330 S331 G337G329-I333 WeakPolarHBondContact O-CD1 3.48Å; G329-I333 WeakPolarHBondContact O-CG1 3.23Å; G329-I333 PolarHBondContact O-N 2.95Å; L330-I333 HydrophobicContact CD2-CD1 4.12Å; L330-I333 PolarHBondContact O-N 2.92Å; S331-I333 VanDerWaalsContact C-N 3.33Å; S331-I333 PolarHBondContact O-N 3.23Å; I333-G337 WeakPolarHBondContact O-CA 3.26Å; I333-G337 PolarHBondContact O-N 3.37Å
334L49.6Very low47.5Very low132 Ų132114.9 Ų114.969%0.69160%0.602SS**Hα-helixtrans-74.6-37.4173.8-71.9165000112.7L330 S331 N332 I338L330-L334 PolarHBondContact O-N 3.32Å; L330-L334 VanDerWaalsContact O-N 3.13Å; S331-L334 PolarHBondContact O-N 2.91Å; N332-L334 VanDerWaalsContact C-N 3.34Å; L334-I338 PolarHBondContact O-N 2.91Å
335Q51.8Low47.6Very low128 Ų128109.2 Ų109.260%0.59859%0.593SS**Hα-helixtrans-69.3-32.3173-79.3-175.93.200113.2S331 N332S331-Q335 PolarHBondContact O-N 3.37Å; S331-Q335 VanDerWaalsContact O-N 3.07Å; N332-Q335 PolarHBondContact O-N 2.91Å
336T46.8Very low48Very low73 Ų73101.9 Ų101.945%0.44858%0.578SS.*Hα-helixtrans-86-28178.8-42.80000111.7N332 I338 R339 Q340N332-T336 WeakPolarHBondContact O-CB 3.46Å; N332-T336 PolarHBondContact O-N 3.48Å; N332-T336 PolarHBondContact O-OG1 3.01Å; T336-I338 VanDerWaalsContact C-N 3.33Å; T336-I338 PolarHBondContact O-N 2.82Å; T336-R339 CarbonylContact O-C 3.51Å; T336-R339 WeakPolarHBondContact O-CA 3.3Å; T336-R339 PolarHBondContact O-N 3.13Å; T336-R339 VanDerWaalsContact O-N 3.09Å; T336-Q340 WeakPolarHBondContact O-CG 3.33Å; T336-Q340 PolarHBondContact O-N 2.92Å
337G41.7Very low47.9Very low36 Ų36106.6 Ų106.637%0.37160%0.597SS.*Hα-helixtrans-63.4-37.8175.700000112.5I333 Q340 T341I333-G337 WeakPolarHBondContact O-CA 3.26Å; I333-G337 PolarHBondContact O-N 3.37Å; G337-Q340 PolarHBondContact O-N 2.79Å; G337-T341 PolarHBondContact O-N 3.09Å
338I50.3Low47.6Very low110 Ų110106.6 Ų106.656%0.56460%0.595SS**Hα-helixtrans-68.2-37.2171.7-63.1168.7000110.4L334 T336 Q340 T341 F342L334-I338 PolarHBondContact O-N 2.91Å; T336-I338 VanDerWaalsContact C-N 3.33Å; T336-I338 PolarHBondContact O-N 2.82Å; I338-Q340 VanDerWaalsContact C-N 3.31Å; I338-Q340 PolarHBondContact O-N 2.89Å; I338-T341 PolarHBondContact O-N 3.39Å; I338-T341 PolarHBondContact O-OG1 3.46Å; I338-F342 HydrophobicContact CG2-CD2 3.9Å; I338-F342 HydrophobicContact CG2-CE2 4Å; I338-F342 WeakPolarHBondContact O-CD2 3.45Å; I338-F342 PolarHBondContact O-N 2.89Å
339R48.3Very low47.5Very low186 Ų186109 Ų10970%0.70260%0.604SS**Hα-helixtrans-68.9-24.3174-78.3-175.3166.8-83.80.3113.9T336 F342 G343T336-R339 CarbonylContact O-C 3.51Å; T336-R339 WeakPolarHBondContact O-CA 3.3Å; T336-R339 PolarHBondContact O-N 3.13Å; T336-R339 VanDerWaalsContact O-N 3.09Å; R339-F342 CarbonylContact O-C 3.33Å; R339-F342 PolarHBondContact O-N 3.34Å; R339-G343 PolarHBondContact O-N 2.93Å
340Q49.5Very low47.9Very low154 Ų154112.6 Ų112.672%0.7261%0.61SS**Hα-helixtrans-81.6-18.2177.7-74.4-78.32500113.2T336 G337 I338 F342T336-Q340 WeakPolarHBondContact O-CG 3.33Å; T336-Q340 PolarHBondContact O-N 2.92Å; G337-Q340 PolarHBondContact O-N 2.79Å; I338-Q340 VanDerWaalsContact C-N 3.31Å; I338-Q340 PolarHBondContact O-N 2.89Å; Q340-F342 VanDerWaalsContact C-N 3.33Å
341T44.6Very low48.1Very low106 Ų106117 Ų11765%0.6562%0.62SS**SBendtrans-87.5-6.7164.459.70000112.6G337 I338G337-T341 PolarHBondContact O-N 3.09Å; I338-T341 PolarHBondContact O-N 3.39Å; I338-T341 PolarHBondContact O-OG1 3.46Å
342F46.5Very low48.6Very low105 Ų105117.1 Ų117.146%0.46162%0.615SS.*SBendtrans-128.464.2175.9-61.7-65.8000110.3I338 R339 Q340 T354I338-F342 HydrophobicContact CG2-CD2 3.9Å; I338-F342 HydrophobicContact CG2-CE2 4Å; I338-F342 WeakPolarHBondContact O-CD2 3.45Å; I338-F342 PolarHBondContact O-N 2.89Å; R339-F342 CarbonylContact O-C 3.33Å; R339-F342 PolarHBondContact O-N 3.34Å; Q340-F342 VanDerWaalsContact C-N 3.33Å; F342-T354 HydrophobicContact CE1-CG2 4.08Å
343G41.6Very low49.1Very low34 Ų34119.5 Ų119.535%0.35163%0.628SS.*  trans52.8104.1144.400000119.2R339R339-G343 PolarHBondContact O-N 2.93Å
344S46.9Very low49.8Very low117 Ų117116 Ų11682%0.81861%0.611SS**  trans-145.183.2156.7-158.90000111.5
345T43Very low50.7Low107 Ų107115.8 Ų115.866%0.65662%0.615SS**  trans-141.1120.1154.144.70000106.7
346G50.3Low51.9Low62 Ų62111.3 Ų111.364%0.63960%0.595SS**THydrogen-bonded Turntrans-58.9145.2-175.900000112
347N45.2Very low53Low173 Ų173110.3 Ų110.393%0.92559%0.59SS**THydrogen-bonded Turntrans99.1-2.4158.5-37.7-22.2000117.5
348E44.2Very low54.5Low161 Ų161116.3 Ų116.375%0.75260%0.603SS**SBendtrans-105.9131.1169.3-70.9179.7179.200109.7Q350E348-Q350 VanDerWaalsContact C-N 3.34Å; E348-Q350 PolarHBondContact O-N 2.97Å
349K54.8Low55.5Low177 Ų177115.7 Ų115.777%0.7760%0.597SS**  trans-6497.6174.2-66.2-179.4-178.8-179.20107.5Y351K349-Y351 WeakPolarHBondContact O-CD2 3.38Å; K349-Y351 PolarHBondContact O-N 3.03Å
350Q56.3Low56.4Low115 Ų115115.9 Ų115.954%0.53760%0.603SS.*  trans-68.5100.7176.9-70.7178.1-15.200108.4E348 L352E348-Q350 VanDerWaalsContact C-N 3.34Å; E348-Q350 PolarHBondContact O-N 2.97Å; Q350-L352 PolarHBondContact O-N 2.9Å; Q350-L352 VanDerWaalsContact O-N 3.09Å
351Y52.3Low57.3Low205 Ų205112.7 Ų112.780%0.80459%0.587SS**  trans-64.1112.3172.3-61-78.8000108.4K349 N353K349-Y351 WeakPolarHBondContact O-CD2 3.38Å; K349-Y351 PolarHBondContact O-N 3.03Å; Y351-N353 PolarHBondContact O-N 2.95Å
352L59.7Low58.2Low72 Ų72115 Ų11538%0.37760%0.601SS.*  trans-65.6104.4176.5-171.678.1000108.6Q350 T354 M380 V387Q350-L352 PolarHBondContact O-N 2.9Å; Q350-L352 VanDerWaalsContact O-N 3.09Å; L352-T354 HydrophobicContact CD1-CG2 4.17Å; L352-T354 WeakPolarHBondContact CD2-OG1 3.38Å; L352-T354 HydrophobicContact CG-CG2 4.39Å; L352-T354 VanDerWaalsContact CG-OG1 3.24Å; L352-T354 WeakPolarHBondContact CG-OG1 3.37Å; L352-T354 PolarHBondContact O-N 3.33Å; L352-M380 HydrophobicContact CD2-CE 4.45Å; L352-V387 HydrophobicContact CD2-CB 4.27Å; L352-V387 HydrophobicContact CD2-CG1 3.36Å
353N57.2Low59.2Low148 Ų148114.2 Ų114.279%0.79161%0.605SS**  trans-78.3-0.5178.893.2-9.4000113.8Y351 V355Y351-N353 PolarHBondContact O-N 2.95Å; N353-V355 PolarHBondContact O-N 2.99Å
354T64.4Low60.6Low35 Ų35118 Ų11822%0.21562%0.624CS.*  trans-76.1114.1-167.560.20000110.5F342 L352F342-T354 HydrophobicContact CE1-CG2 4.08Å; L352-T354 HydrophobicContact CD1-CG2 4.17Å; L352-T354 WeakPolarHBondContact CD2-OG1 3.38Å; L352-T354 HydrophobicContact CG-CG2 4.39Å; L352-T354 VanDerWaalsContact CG-OG1 3.24Å; L352-T354 WeakPolarHBondContact CG-OG1 3.37Å; L352-T354 PolarHBondContact O-N 3.33Å
355V69.6Low62Low127 Ų127115.8 Ų115.877%0.7761%0.606SS**PPolyproline II helixtrans-66.7132.8169.1-178.90000108.7N353 P357N353-V355 PolarHBondContact O-N 2.99Å; V355-P357 WeakPolarHBondContact O-CD 3.43Å
356I76.3Confident63.9Low34 Ų34113.1 Ų113.117%0.17459%0.592CS.*PPolyproline II helixtrans-65.1116.2173.3-54.4178.5000107.2Y358 L373 I376 L377 M380 L391 Y394I356-Y358 PolarHBondContact O-N 3.06Å; I356-L373 HydrophobicContact CD1-CD1 3.79Å; I356-L373 HydrophobicContact CG2-CD1 3.8Å; I356-I376 HydrophobicContact CD1-CG2 3.75Å; I356-I376 HydrophobicContact CG1-CG2 4.24Å; I356-L377 HydrophobicContact CD1-CD2 3.79Å; I356-L377 HydrophobicContact CD1-CG 4.37Å; I356-M380 HydrophobicContact CD1-SD 4.08Å; I356-M380 HydrophobicContact CG1-SD 4.33Å; I356-L391 HydrophobicContact CB-CD2 4.42Å; I356-L391 HydrophobicContact CG1-CD2 4.18Å; I356-L391 HydrophobicContact CG2-CD2 4.19Å; I356-Y394 HydrophobicContact CG2-CE1 4.32Å
357P71.1Confident65.6Low52 Ų52115.1 Ų115.134%0.33859%0.591SS.*PPolyproline II helixtrans-63.7133.2-177.4-19.132.3000109.7V355 Y394 I395 L399V355-P357 WeakPolarHBondContact O-CD 3.43Å; P357-Y394 WeakPolarHBondContact O-CE1 3.44Å; P357-I395 HydrophobicContact CG-CD1 4.19Å; P357-I395 HydrophobicContact CG-CG1 4.19Å; P357-L399 HydrophobicContact CB-CD1 3.59Å; P357-L399 HydrophobicContact CG-CD1 4.45Å
358Y72.9Confident67.6Low163 Ų163112.5 Ų112.564%0.63958%0.577SS**  trans-127.7127.8-178.8175.3-100.1000109.7I356 K360I356-Y358 PolarHBondContact O-N 3.06Å; Y358-K360 HydrophobicContact CE1-CB 3.97Å; Y358-K360 HydrophobicContact CE1-CG 4.43Å
359E70.6Confident69.5Low97 Ų97106.7 Ų106.745%0.45355%0.551SS.*  trans-102.1120.3171.7-174.6179.6-171.300108.9K361 L399E359-K361 HydrophobicContact CB-CG 4.43Å; E359-K361 VanDerWaalsContact CD-CE 3.43Å; E359-K361 HydrophobicContact CG-CG 3.98Å; E359-K361 PolarHBondContact O-N 3.08Å; E359-K361 WeakPolarHBondContact OE2-CE 3.2Å; E359-K361 IonicContact OE2-NZ 3.05Å; E359-L399 HydrophobicContact CB-CD2 3.56Å
360K67.1Low71.1Confident190 Ų190102.2 Ų102.283%0.82654%0.536SS*.  trans-73.678.4175.6-168.7-179.7-178.3179.40109.5Y358Y358-K360 HydrophobicContact CE1-CB 3.97Å; Y358-K360 HydrophobicContact CE1-CG 4.43Å
361K69.3Low72.6Confident86 Ų86101.4 Ų101.437%0.37453%0.532SS..  trans-72.4143.9171.8-61.6-175.9-178176.60109.2E359 T363 V398E359-K361 HydrophobicContact CB-CG 4.43Å; E359-K361 VanDerWaalsContact CD-CE 3.43Å; E359-K361 HydrophobicContact CG-CG 3.98Å; E359-K361 PolarHBondContact O-N 3.08Å; E359-K361 WeakPolarHBondContact OE2-CE 3.2Å; E359-K361 IonicContact OE2-NZ 3.05Å; K361-T363 PolarHBondContact O-N 3.45Å; K361-V398 PolarHBondContact NZ-O 2.96Å
362T63.1Low74.2Confident154 Ų15492.8 Ų92.895%0.94550%0.499SS*.SBendtrans-69.2-11.7174.654.50000112.6
363T66.5Low75.6Confident89 Ų8991.9 Ų91.955%0.54649%0.494SS..SBendtrans-99.4138.1174.652.90000110.6K361K361-T363 PolarHBondContact O-N 3.45Å
364P71.3Confident77.2Confident115 Ų11589 Ų8975%0.74748%0.483SS*.PPolyproline II helixtrans-58.2145175.524.4-32.8000111
365P76.6Confident78.4Confident70 Ų7093.3 Ų93.346%0.45550%0.498SS..PPolyproline II helixtrans-59.9143.4179.724.2-32.7000110.7D369 L370P365-D369 HydrophobicContact CB-CB 4.32Å; P365-L370 HydrophobicContact CB-CG 4.31Å; P365-L370 HydrophobicContact CG-CD1 4.48Å; P365-L370 HydrophobicContact CG-CD2 4.12Å; P365-L370 HydrophobicContact CG-CG 4.22Å
366S84.2Confident79.3Confident50 Ų5087.2 Ų87.235%0.3546%0.461SS..PPolyproline II helixtrans-69.9161.2179.375.30000111.1D368 D369 L370S366-D368 PolarHBondContact O-N 3.14Å; S366-D369 WeakPolarHBondContact CB-OD2 3.42Å; S366-D369 PolarHBondContact N-OD2 3.45Å; S366-D369 PolarHBondContact O-N 3.4Å; S366-D369 VanDerWaalsContact O-N 3.16Å; S366-D369 PolarHBondContact OG-N 3.3Å; S366-D369 PolarHBondContact OG-OD1 3.23Å; S366-D369 PolarHBondContact OG-OD2 3.3Å; S366-L370 WeakPolarHBondContact O-CG 3.41Å; S366-L370 PolarHBondContact O-N 2.88Å
367V85.8Confident80Confident104 Ų10490.1 Ų90.163%0.6348%0.477SS*.Hα-helixtrans-58.6-35.2176.1177.20000111L370 Q371V367-L370 PolarHBondContact O-N 3.43Å; V367-Q371 VanDerWaalsContact O-CG 3.31Å; V367-Q371 WeakPolarHBondContact O-CG 3.48Å; V367-Q371 PolarHBondContact O-N 3.48Å
368D85.6Confident80.9Confident118 Ų11894 Ų9463%0.63149%0.486SS*.Hα-helixtrans-69.1-39.5178.3-65.3-33.3000111.6S366 Q371 M372S366-D368 PolarHBondContact O-N 3.14Å; D368-Q371 PolarHBondContact O-N 2.98Å; D368-M372 WeakPolarHBondContact O-CB 3.27Å; D368-M372 PolarHBondContact O-N 2.89Å
369D85.1Confident81.6Confident39 Ų3986.6 Ų86.621%0.20946%0.458CS..Hα-helixtrans-63.7-43.2175.6-55.1-33.5000111.2P365 S366 M372 L373 V398P365-D369 HydrophobicContact CB-CB 4.32Å; S366-D369 WeakPolarHBondContact CB-OD2 3.42Å; S366-D369 PolarHBondContact N-OD2 3.45Å; S366-D369 PolarHBondContact O-N 3.4Å; S366-D369 VanDerWaalsContact O-N 3.16Å; S366-D369 PolarHBondContact OG-N 3.3Å; S366-D369 PolarHBondContact OG-OD1 3.23Å; S366-D369 PolarHBondContact OG-OD2 3.3Å; D369-M372 WeakPolarHBondContact O-CB 3.44Å; D369-M372 PolarHBondContact O-N 2.86Å; D369-L373 PolarHBondContact O-N 2.98Å; D369-V398 HydrophobicContact CB-CG1 4.2Å; D369-V398 HydrophobicContact CB-CG2 4.49Å; D369-V398 WeakPolarHBondContact OD1-CG1 3.48Å; D369-V398 VanDerWaalsContact OD1-CG2 3.23Å; D369-V398 WeakPolarHBondContact OD1-CG2 3.39Å
370L87.6Confident82.4Confident84 Ų8485 Ų8544%0.4445%0.451SS..Hα-helixtrans-64.4-40.8177.5-73.6165.2000112P365 S366 V367 M372 L373 T374P365-L370 HydrophobicContact CB-CG 4.31Å; P365-L370 HydrophobicContact CG-CD1 4.48Å; P365-L370 HydrophobicContact CG-CD2 4.12Å; P365-L370 HydrophobicContact CG-CG 4.22Å; S366-L370 WeakPolarHBondContact O-CG 3.41Å; S366-L370 PolarHBondContact O-N 2.88Å; V367-L370 PolarHBondContact O-N 3.43Å; L370-M372 VanDerWaalsContact C-N 3.28Å; L370-M372 PolarHBondContact O-N 3.3Å; L370-L373 PolarHBondContact O-N 2.74Å; L370-T374 WeakPolarHBondContact O-CB 3.35Å; L370-T374 PolarHBondContact O-N 3.14Å; L370-T374 PolarHBondContact O-OG1 3.27Å
371Q88.3Confident83.3Confident97 Ų9784.2 Ų84.245%0.45345%0.448SS..Hα-helixtrans-63.6-36.6174.4-75.8179.515.200111.9V367 D368 K375V367-Q371 VanDerWaalsContact O-CG 3.31Å; V367-Q371 WeakPolarHBondContact O-CG 3.48Å; V367-Q371 PolarHBondContact O-N 3.48Å; D368-Q371 PolarHBondContact O-N 2.98Å; Q371-K375 VanDerWaalsContact O-CG 3.31Å; Q371-K375 WeakPolarHBondContact O-CG 3.43Å; Q371-K375 PolarHBondContact O-N 2.96Å; Q371-K375 VanDerWaalsContact O-N 3.07Å
372M87.3Confident84.3Confident25 Ų2585.3 Ų85.312%0.12345%0.454CS..Hα-helixtrans-69.6-44.6177.8-165.1165-163.100112.1D368 D369 L370 T374 K375 I376 D393 Y394 K397 V398D368-M372 WeakPolarHBondContact O-CB 3.27Å; D368-M372 PolarHBondContact O-N 2.89Å; D369-M372 WeakPolarHBondContact O-CB 3.44Å; D369-M372 PolarHBondContact O-N 2.86Å; L370-M372 VanDerWaalsContact C-N 3.28Å; L370-M372 PolarHBondContact O-N 3.3Å; M372-T374 VanDerWaalsContact C-N 3.31Å; M372-T374 PolarHBondContact O-N 3.42Å; M372-K375 WeakPolarHBondContact O-CB 3.35Å; M372-K375 PolarHBondContact O-N 3.31Å; M372-I376 WeakPolarHBondContact O-CG1 3.38Å; M372-I376 PolarHBondContact O-N 2.95Å; M372-D393 HydrophobicContact CE-CB 3.42Å; M372-D393 VanDerWaalsContact CE-CB 3.42Å; M372-Y394 HydrophobicContact CB-CD2 4.26Å; M372-Y394 HydrophobicContact CG-CD2 3.95Å; M372-Y394 HydrophobicContact SD-CD2 3.9Å; M372-Y394 HydrophobicContact SD-CG 4.43Å; M372-K397 HydrophobicContact CE-CD 4.26Å; M372-V398 HydrophobicContact SD-CG2 4.13Å
373L88.8Confident85.3Confident52 Ų5285.2 Ų85.227%0.27245%0.448SS..Hα-helixtrans-60.5-42.2174-174.462.2000111.4I356 D369 L370 K375 I376 L377I356-L373 HydrophobicContact CD1-CD1 3.79Å; I356-L373 HydrophobicContact CG2-CD1 3.8Å; D369-L373 PolarHBondContact O-N 2.98Å; L370-L373 PolarHBondContact O-N 2.74Å; L373-K375 VanDerWaalsContact C-N 3.33Å; L373-K375 PolarHBondContact O-N 3.13Å; L373-I376 PolarHBondContact O-N 3.39Å; L373-L377 HydrophobicContact CG-CD1 4.23Å; L373-L377 WeakPolarHBondContact O-CG 3.24Å; L373-L377 PolarHBondContact O-N 3.24Å
374T89.3Confident86.1Confident89 Ų8982.7 Ų82.755%0.54643%0.434SS..Hα-helixtrans-60.7-41.5176.1-56.90000111.7L370 M372 I376 L377 Y378L370-T374 WeakPolarHBondContact O-CB 3.35Å; L370-T374 PolarHBondContact O-N 3.14Å; L370-T374 PolarHBondContact O-OG1 3.27Å; M372-T374 VanDerWaalsContact C-N 3.31Å; M372-T374 PolarHBondContact O-N 3.42Å; T374-I376 VanDerWaalsContact C-N 3.35Å; T374-L377 PolarHBondContact O-N 2.94Å; T374-Y378 WeakPolarHBondContact O-CB 3.42Å; T374-Y378 PolarHBondContact O-N 3.44Å
375K89.6Confident86.8Confident124 Ų12486.3 Ų86.354%0.53944%0.441SS..Hα-helixtrans-64.2-38.3176.1-73.9168.9-175.6170.70112.2Q371 M372 L373 A379Q371-K375 VanDerWaalsContact O-CG 3.31Å; Q371-K375 WeakPolarHBondContact O-CG 3.43Å; Q371-K375 PolarHBondContact O-N 2.96Å; Q371-K375 VanDerWaalsContact O-N 3.07Å; M372-K375 WeakPolarHBondContact O-CB 3.35Å; M372-K375 PolarHBondContact O-N 3.31Å; L373-K375 VanDerWaalsContact C-N 3.33Å; L373-K375 PolarHBondContact O-N 3.13Å; K375-A379 VanDerWaalsContact O-CB 3.25Å; K375-A379 WeakPolarHBondContact O-CB 3.27Å; K375-A379 PolarHBondContact O-N 3.37Å
376I89.6Confident87.3Confident0 Ų089.8 Ų89.80%045%0.449CS..Hα-helixtrans-65.6-50.3175.7-66.5162.3000110.1I356 M372 L373 T374 Y378 A379 M380 L390 L391 Y394I356-I376 HydrophobicContact CD1-CG2 3.75Å; I356-I376 HydrophobicContact CG1-CG2 4.24Å; M372-I376 WeakPolarHBondContact O-CG1 3.38Å; M372-I376 PolarHBondContact O-N 2.95Å; L373-I376 PolarHBondContact O-N 3.39Å; T374-I376 VanDerWaalsContact C-N 3.35Å; I376-Y378 VanDerWaalsContact C-N 3.3Å; I376-Y378 PolarHBondContact O-N 3.4Å; I376-A379 PolarHBondContact O-N 2.85Å; I376-A379 VanDerWaalsContact O-N 3.15Å; I376-M380 HydrophobicContact CG2-CG 4.41Å; I376-M380 HydrophobicContact CG2-SD 4.02Å; I376-M380 WeakPolarHBondContact O-CG 3.47Å; I376-M380 PolarHBondContact O-N 3.25Å; I376-L390 HydrophobicContact CG1-CB 3.66Å; I376-L391 HydrophobicContact CD1-CD2 4.37Å; I376-L391 HydrophobicContact CG2-CD2 4.16Å; I376-L391 HydrophobicContact CG2-CG 4.32Å; I376-Y394 HydrophobicContact CD1-CD2 4.44Å; I376-Y394 HydrophobicContact CD1-CG 4.02Å
377L90Very high87.5Confident95 Ų9587.7 Ų87.750%0.49743%0.434SS..Hα-helixtrans-60.9-39.5179.9-69173.8000112.2I356 L373 T374 M380 K381I356-L377 HydrophobicContact CD1-CD2 3.79Å; I356-L377 HydrophobicContact CD1-CG 4.37Å; L373-L377 HydrophobicContact CG-CD1 4.23Å; L373-L377 WeakPolarHBondContact O-CG 3.24Å; L373-L377 PolarHBondContact O-N 3.24Å; T374-L377 PolarHBondContact O-N 2.94Å; L377-M380 PolarHBondContact O-N 3.08Å; L377-K381 WeakPolarHBondContact O-CB 3.38Å; L377-K381 PolarHBondContact O-N 3.38Å
378Y90.4Very high87.5Confident134 Ų13485.7 Ų85.753%0.52542%0.423SS..Hα-helixtrans-66-43.4175.1-166.7-94.6000111.8T374 I376 M380 K381 E382T374-Y378 WeakPolarHBondContact O-CB 3.42Å; T374-Y378 PolarHBondContact O-N 3.44Å; I376-Y378 VanDerWaalsContact C-N 3.3Å; I376-Y378 PolarHBondContact O-N 3.4Å; Y378-M380 VanDerWaalsContact C-N 3.31Å; Y378-M380 PolarHBondContact O-N 3.08Å; Y378-K381 PolarHBondContact O-N 3.3Å; Y378-E382 HydrophobicContact CD1-CG 4.3Å; Y378-E382 HydrophobicContact CE1-CG 3.93Å; Y378-E382 WeakPolarHBondContact CE1-OE1 3.38Å; Y378-E382 WeakPolarHBondContact CE1-OE2 3.47Å; Y378-E382 PolarHBondContact O-N 3.29Å; Y378-E382 PolarHBondContact OH-OE1 2.98Å
379A88.5Confident87.6Confident6 Ų684.4 Ų84.45%0.0542%0.419CS..Hα-helixtrans-64.1-35.1176.100000112.5K375 I376 D383 S384 V387 L390K375-A379 VanDerWaalsContact O-CB 3.25Å; K375-A379 WeakPolarHBondContact O-CB 3.27Å; K375-A379 PolarHBondContact O-N 3.37Å; I376-A379 PolarHBondContact O-N 2.85Å; I376-A379 VanDerWaalsContact O-N 3.15Å; A379-D383 PolarHBondContact O-N 3.49Å; A379-S384 VanDerWaalsContact O-CB 3.31Å; A379-S384 WeakPolarHBondContact O-CB 3.48Å; A379-S384 PolarHBondContact O-N 2.93Å; A379-V387 VanDerWaalsContact C-CG2 3.44Å; A379-V387 HydrophobicContact CB-CG2 3.6Å; A379-L390 HydrophobicContact CB-CD1 3.69Å
380M86.9Confident87.8Confident64 Ų6484.6 Ų84.632%0.31542%0.42SS..Hα-helixtrans-68.8-42.8173.1-71.3177.371.900111.6L352 I356 I376 L377 Y378 E382 D383 V387L352-M380 HydrophobicContact CD2-CE 4.45Å; I356-M380 HydrophobicContact CD1-SD 4.08Å; I356-M380 HydrophobicContact CG1-SD 4.33Å; I376-M380 HydrophobicContact CG2-CG 4.41Å; I376-M380 HydrophobicContact CG2-SD 4.02Å; I376-M380 WeakPolarHBondContact O-CG 3.47Å; I376-M380 PolarHBondContact O-N 3.25Å; L377-M380 PolarHBondContact O-N 3.08Å; Y378-M380 VanDerWaalsContact C-N 3.31Å; Y378-M380 PolarHBondContact O-N 3.08Å; M380-E382 PolarHBondContact O-N 3.45Å; M380-D383 PolarHBondContact O-N 3.09Å; M380-V387 HydrophobicContact CB-CG2 4.49Å; M380-V387 HydrophobicContact CG-CG1 3.84Å; M380-V387 HydrophobicContact CG-CG2 3.83Å
381K85.6Confident87.7Confident173 Ų17381.3 Ų81.375%0.75240%0.403SS*.Hα-helixtrans-61.3-33.7176.6-178.2-177.4174.4-173.70112.6L377 Y378L377-K381 WeakPolarHBondContact O-CB 3.38Å; L377-K381 PolarHBondContact O-N 3.38Å; Y378-K381 PolarHBondContact O-N 3.3Å
382E90.6Very high87.7Confident109 Ų10980.2 Ų80.251%0.50940%0.403SS..THydrogen-bonded Turntrans-93.29.6179.8-67.1-167154.500114.1Y378 M380 S384Y378-E382 HydrophobicContact CD1-CG 4.3Å; Y378-E382 HydrophobicContact CE1-CG 3.93Å; Y378-E382 WeakPolarHBondContact CE1-OE1 3.38Å; Y378-E382 WeakPolarHBondContact CE1-OE2 3.47Å; Y378-E382 PolarHBondContact O-N 3.29Å; Y378-E382 PolarHBondContact OH-OE1 2.98Å; M380-E382 PolarHBondContact O-N 3.45Å; E382-S384 PolarHBondContact O-N 3.36Å; E382-S384 VanDerWaalsContact O-N 3.17Å
383D83.3Confident87.6Confident153 Ų15381.9 Ų81.982%0.81841%0.413SS*.THydrogen-bonded Turntrans5039.1-175.5-65.5-41.5000113A379 M380A379-D383 PolarHBondContact O-N 3.49Å; M380-D383 PolarHBondContact O-N 3.09Å
384S84.9Confident87.6Confident36 Ų3680.1 Ų80.125%0.25240%0.402SS..  trans-77131.9-174.3-169.70000112.1A379 E382 K386 V387A379-S384 VanDerWaalsContact O-CB 3.31Å; A379-S384 WeakPolarHBondContact O-CB 3.48Å; A379-S384 PolarHBondContact O-N 2.93Å; E382-S384 PolarHBondContact O-N 3.36Å; E382-S384 VanDerWaalsContact O-N 3.17Å; S384-K386 PolarHBondContact O-N 2.93Å; S384-V387 VanDerWaalsContact O-CG2 3.32Å; S384-V387 WeakPolarHBondContact O-CG2 3.47Å; S384-V387 PolarHBondContact O-N 2.98Å; S384-V387 VanDerWaalsContact O-N 3.16Å
385E85.8Confident87.4Confident190 Ų19078.9 Ų78.989%0.88839%0.392SS*.THydrogen-bonded Turntrans-59.5-8172.4-62.9-176.1176.300114.1P388E385-P388 WeakPolarHBondContact O-CD 3.49Å
386K86.4Confident87.2Confident143 Ų14377.4 Ų77.462%0.62239%0.389SS*.THydrogen-bonded Turntrans-80.7-11.9178.9-64.3178.8-177.7171.30113.8S384 T389 L390S384-K386 PolarHBondContact O-N 2.93Å; K386-T389 PolarHBondContact O-N 3.35Å; K386-L390 HydrophobicContact CB-CD1 4.32Å; K386-L390 WeakPolarHBondContact O-CG 3.34Å; K386-L390 PolarHBondContact O-N 3.21Å
387V87.4Confident86.7Confident7 Ų783.4 Ų83.44%0.04242%0.415CS..Hα-helixtrans-55.3-46.8-176.6175.90000113L352 A379 M380 S384 T389 L390 L391L352-V387 HydrophobicContact CD2-CB 4.27Å; L352-V387 HydrophobicContact CD2-CG1 3.36Å; A379-V387 VanDerWaalsContact C-CG2 3.44Å; A379-V387 HydrophobicContact CB-CG2 3.6Å; M380-V387 HydrophobicContact CB-CG2 4.49Å; M380-V387 HydrophobicContact CG-CG1 3.84Å; M380-V387 HydrophobicContact CG-CG2 3.83Å; S384-V387 VanDerWaalsContact O-CG2 3.32Å; S384-V387 WeakPolarHBondContact O-CG2 3.47Å; S384-V387 PolarHBondContact O-N 2.98Å; S384-V387 VanDerWaalsContact O-N 3.16Å; V387-T389 VanDerWaalsContact C-N 3.3Å; V387-T389 PolarHBondContact O-N 3.4Å; V387-L390 PolarHBondContact O-N 2.77Å; V387-L391 HydrophobicContact CG1-CD1 3.79Å; V387-L391 HydrophobicContact CG1-CG 4.29Å; V387-L391 PolarHBondContact O-N 2.91Å
388P85.8Confident86.1Confident62 Ų6279.4 Ų79.440%0.40340%0.395SS..Hα-helixtrans-60.2-39.1179-24.535.4000113.1E385 T392E385-P388 WeakPolarHBondContact O-CD 3.49Å; P388-T392 WeakPolarHBondContact O-CB 3.44Å; P388-T392 PolarHBondContact O-N 3.23Å; P388-T392 PolarHBondContact O-OG1 3.22Å
389T87.6Confident85.5Confident90 Ų9074.6 Ų74.655%0.55238%0.378SS*.Hα-helixtrans-67.5-44.1177.8-52.20000111.2K386 V387 T392 D393K386-T389 PolarHBondContact O-N 3.35Å; V387-T389 VanDerWaalsContact C-N 3.3Å; V387-T389 PolarHBondContact O-N 3.4Å; T389-T392 PolarHBondContact O-N 3.43Å; T389-D393 WeakPolarHBondContact O-CB 3.43Å; T389-D393 PolarHBondContact O-N 3.49Å
390L89.3Confident85Confident43 Ų4378 Ų7823%0.22540%0.401CS..Hα-helixtrans-66.5-38.3179.5-68.3171.1000112.2I376 A379 K386 V387 Y394I376-L390 HydrophobicContact CG1-CB 3.66Å; A379-L390 HydrophobicContact CB-CD1 3.69Å; K386-L390 HydrophobicContact CB-CD1 4.32Å; K386-L390 WeakPolarHBondContact O-CG 3.34Å; K386-L390 PolarHBondContact O-N 3.21Å; V387-L390 PolarHBondContact O-N 2.77Å; L390-Y394 WeakPolarHBondContact O-CB 3.32Å; L390-Y394 PolarHBondContact O-N 3.29Å
391L87.3Confident84.3Confident15 Ų1579.1 Ų79.18%0.07941%0.413CS..Hα-helixtrans-63.3-46.6173.3-80.7168.4000111.8I356 I376 V387 D393 Y394 I395I356-L391 HydrophobicContact CB-CD2 4.42Å; I356-L391 HydrophobicContact CG1-CD2 4.18Å; I356-L391 HydrophobicContact CG2-CD2 4.19Å; I376-L391 HydrophobicContact CD1-CD2 4.37Å; I376-L391 HydrophobicContact CG2-CD2 4.16Å; I376-L391 HydrophobicContact CG2-CG 4.32Å; V387-L391 HydrophobicContact CG1-CD1 3.79Å; V387-L391 HydrophobicContact CG1-CG 4.29Å; V387-L391 PolarHBondContact O-N 2.91Å; L391-D393 VanDerWaalsContact C-N 3.33Å; L391-D393 PolarHBondContact O-N 2.99Å; L391-Y394 PolarHBondContact O-N 2.85Å; L391-Y394 VanDerWaalsContact O-N 3.16Å; L391-I395 VanDerWaalsContact O-CG1 3.29Å; L391-I395 WeakPolarHBondContact O-CG1 3.44Å; L391-I395 PolarHBondContact O-N 3.45Å
392T87.4Confident83Confident75 Ų7580.4 Ų80.446%0.4644%0.435SS..Hα-helixtrans-59.2-46.9178-56.50000111P388 T389 Y394 I395 L396P388-T392 WeakPolarHBondContact O-CB 3.44Å; P388-T392 PolarHBondContact O-N 3.23Å; P388-T392 PolarHBondContact O-OG1 3.22Å; T389-T392 PolarHBondContact O-N 3.43Å; T392-Y394 VanDerWaalsContact C-N 3.28Å; T392-Y394 PolarHBondContact O-N 3.06Å; T392-I395 PolarHBondContact O-N 3.44Å; T392-L396 HydrophobicContact CG2-CD1 4.04Å; T392-L396 WeakPolarHBondContact O-CG 3.41Å; T392-L396 PolarHBondContact O-N 3.39Å
393D86.2Confident82.6Confident59 Ų5979 Ų7932%0.31643%0.432SS..Hα-helixtrans-60.9-38.4177.3-102.833000111.6M372 T389 L391 L396 K397M372-D393 HydrophobicContact CE-CB 3.42Å; M372-D393 VanDerWaalsContact CE-CB 3.42Å; T389-D393 WeakPolarHBondContact O-CB 3.43Å; T389-D393 PolarHBondContact O-N 3.49Å; L391-D393 VanDerWaalsContact C-N 3.33Å; L391-D393 PolarHBondContact O-N 2.99Å; D393-L396 PolarHBondContact O-N 2.71Å; D393-K397 VanDerWaalsContact O-CB 3.26Å; D393-K397 WeakPolarHBondContact O-CB 3.41Å; D393-K397 WeakPolarHBondContact O-CG 3.41Å; D393-K397 PolarHBondContact O-N 2.72Å; D393-K397 IonicContact OD2-NZ 3.51Å; D393-K397 PolarHBondContact OD2-NZ 3.01Å
394Y87.1Confident82.6Confident15 Ų1575.1 Ų75.16%0.05941%0.411CS..Hα-helixtrans-68.5-43.2179.9174.2-98000111.4I356 P357 M372 I376 L390 L391 T392 L396 K397 V398 L399I356-Y394 HydrophobicContact CG2-CE1 4.32Å; P357-Y394 WeakPolarHBondContact O-CE1 3.44Å; M372-Y394 HydrophobicContact CB-CD2 4.26Å; M372-Y394 HydrophobicContact CG-CD2 3.95Å; M372-Y394 HydrophobicContact SD-CD2 3.9Å; M372-Y394 HydrophobicContact SD-CG 4.43Å; I376-Y394 HydrophobicContact CD1-CD2 4.44Å; I376-Y394 HydrophobicContact CD1-CG 4.02Å; L390-Y394 WeakPolarHBondContact O-CB 3.32Å; L390-Y394 PolarHBondContact O-N 3.29Å; L391-Y394 PolarHBondContact O-N 2.85Å; L391-Y394 VanDerWaalsContact O-N 3.16Å; T392-Y394 VanDerWaalsContact C-N 3.28Å; T392-Y394 PolarHBondContact O-N 3.06Å; Y394-L396 PolarHBondContact O-N 3.33Å; Y394-K397 PolarHBondContact O-N 2.84Å; Y394-V398 HydrophobicContact CD2-CB 3.96Å; Y394-V398 HydrophobicContact CD2-CG1 4.48Å; Y394-V398 HydrophobicContact CD2-CG2 3.56Å; Y394-V398 HydrophobicContact CE2-CB 3.77Å; Y394-V398 HydrophobicContact CE2-CG1 3.79Å; Y394-V398 HydrophobicContact CE2-CG2 3.67Å; Y394-V398 HydrophobicContact CG-CG2 4.37Å; Y394-V398 VanDerWaalsContact O-CB 3.28Å; Y394-V398 WeakPolarHBondContact O-CB 3.37Å; Y394-V398 PolarHBondContact O-N 3.04Å; Y394-L399 HydrophobicContact CD1-CD1 4.33Å; Y394-L399 HydrophobicContact CE1-CD1 3.98Å; Y394-L399 HydrophobicContact CE1-CG 4.12Å
395I86.2Confident82.4Confident64 Ų6477.2 Ų77.233%0.32842%0.42SS..Iπ-helixtrans-59.5-48.1175.4-65.7161.9000110.2P357 L391 T392 K397 L399 C400P357-I395 HydrophobicContact CG-CD1 4.19Å; P357-I395 HydrophobicContact CG-CG1 4.19Å; L391-I395 VanDerWaalsContact O-CG1 3.29Å; L391-I395 WeakPolarHBondContact O-CG1 3.44Å; L391-I395 PolarHBondContact O-N 3.45Å; T392-I395 PolarHBondContact O-N 3.44Å; I395-K397 PolarHBondContact O-N 3.37Å; I395-L399 HydrophobicContact CG1-CD1 4.18Å; I395-L399 WeakPolarHBondContact O-CB 3.35Å; I395-L399 PolarHBondContact O-N 3.24Å; I395-C400 PolarHBondContact O-N 3.45Å
396L84.1Confident82.2Confident93 Ų9370.6 Ų70.649%0.48739%0.393SS..Iπ-helixtrans-71-30.6-177-66.8175.5000113.7T392 D393 Y394 C400T392-L396 HydrophobicContact CG2-CD1 4.04Å; T392-L396 WeakPolarHBondContact O-CG 3.41Å; T392-L396 PolarHBondContact O-N 3.39Å; D393-L396 PolarHBondContact O-N 2.71Å; Y394-L396 PolarHBondContact O-N 3.33Å; L396-C400 CarbonylContact O-C 3.58Å
397K80.3Confident82Confident125 Ų12566.1 Ų66.154%0.54338%0.378SS..Iπ-helixtrans-95.4-31.1-175.5-69.3171.6179.7160.70113.7M372 D393 Y394 I395M372-K397 HydrophobicContact CE-CD 4.26Å; D393-K397 VanDerWaalsContact O-CB 3.26Å; D393-K397 WeakPolarHBondContact O-CB 3.41Å; D393-K397 WeakPolarHBondContact O-CG 3.41Å; D393-K397 PolarHBondContact O-N 2.72Å; D393-K397 IonicContact OD2-NZ 3.51Å; D393-K397 PolarHBondContact OD2-NZ 3.01Å; Y394-K397 PolarHBondContact O-N 2.84Å; I395-K397 PolarHBondContact O-N 3.37Å
398V78.1Confident81.6Confident11 Ų1170 Ų707%0.06740%0.401CS..Iπ-helixtrans-109.9-41.9-170.7-174.60000112.3K361 D369 M372 Y394K361-V398 PolarHBondContact NZ-O 2.96Å; D369-V398 HydrophobicContact CB-CG1 4.2Å; D369-V398 HydrophobicContact CB-CG2 4.49Å; D369-V398 WeakPolarHBondContact OD1-CG1 3.48Å; D369-V398 VanDerWaalsContact OD1-CG2 3.23Å; D369-V398 WeakPolarHBondContact OD1-CG2 3.39Å; M372-V398 HydrophobicContact SD-CG2 4.13Å; Y394-V398 HydrophobicContact CD2-CB 3.96Å; Y394-V398 HydrophobicContact CD2-CG1 4.48Å; Y394-V398 HydrophobicContact CD2-CG2 3.56Å; Y394-V398 HydrophobicContact CE2-CB 3.77Å; Y394-V398 HydrophobicContact CE2-CG1 3.79Å; Y394-V398 HydrophobicContact CE2-CG2 3.67Å; Y394-V398 HydrophobicContact CG-CG2 4.37Å; Y394-V398 VanDerWaalsContact O-CB 3.28Å; Y394-V398 WeakPolarHBondContact O-CB 3.37Å; Y394-V398 PolarHBondContact O-N 3.04Å
399L76.7Confident81.3Confident34 Ų3470.6 Ų70.618%0.17840%0.4CS..Iπ-helixtrans-93.3-37.1-176.1-59.9175.5000112.6P357 E359 Y394 I395P357-L399 HydrophobicContact CB-CD1 3.59Å; P357-L399 HydrophobicContact CG-CD1 4.45Å; E359-L399 HydrophobicContact CB-CD2 3.56Å; Y394-L399 HydrophobicContact CD1-CD1 4.33Å; Y394-L399 HydrophobicContact CE1-CD1 3.98Å; Y394-L399 HydrophobicContact CE1-CG 4.12Å; I395-L399 HydrophobicContact CG1-CD1 4.18Å; I395-L399 WeakPolarHBondContact O-CB 3.35Å; I395-L399 PolarHBondContact O-N 3.24Å
400C78.8Confident80.9Confident78 Ų7869.1 Ų69.153%0.52739%0.389SS..SBendtrans-126.754.9179.7-65.70000111.6I395 L396 T402I395-C400 PolarHBondContact O-N 3.45Å; L396-C400 CarbonylContact O-C 3.58Å; C400-T402 PolarHBondContact O-N 3.28Å
401P72.5Confident80.2Confident87 Ų8771.3 Ų71.357%0.56540%0.402SS*.  trans-58.8125.2178.726.3-33000109.6
402T57.2Low79.5Confident199 Ų19976.4 Ų76.4100%1.22143%0.432SS*.  trans-84.20179.1-28.60000112C400C400-T402 PolarHBondContact O-N 3.28Å

Retrieved 402 of 402 residues in 637 ms (Link to these results)