A0A087WUB1_HUMAN Loading...

Protein ITPRID1

AlphaFold DB , UniProt , Accession A0A087WUB1, Species HUMAN (Homo sapiens, Human), Gene ITPRID1, Length 1,054 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
1M34.8Very low33.2Very low200 Ų200143.9 Ų143.999%0.98578%0.779SS**  0144.70-72-174.8175.100109.2
2S29.4Very low33.4Very low93 Ų93146.3 Ų146.365%0.6578%0.784SS**  cis-169.2142.3-18.7-90.30000109.8
3V33.2Very low33.1Very low128 Ų128143.2 Ų143.278%0.77679%0.792SS**  trans47105147.6-1740000117
4S34.3Very low33.5Very low107 Ų107146.2 Ų146.275%0.74880%0.797SS**  80.7153.561.3-157.70000115.8
5L31.6Very low33.4Very low135 Ų135149.7 Ų149.771%0.70780%0.802SS**  trans74.894.3167.8-62.6170.2000120.9
6Q33.2Very low33.3Very low157 Ų157147.4 Ų147.473%0.73480%0.801SS**  55.7138.9108.1-88.1-178.5-18.700123.5
7N34.1Very low33.7Very low129 Ų129150.8 Ų150.869%0.6981%0.81SS**  trans73.5105.5144.3-60.2-16.8000120.1
8Y27.3Very low33.8Very low240 Ų240146.6 Ų146.694%0.94181%0.808SS**  trans-141.2148.5131.6-106.2-82.4000110.8
9S37.3Very low34.3Very low105 Ų105144.9 Ų144.973%0.73481%0.808SS**  trans-144.5148.8172.6-153.30000106.1
10P43.2Very low34.6Very low113 Ų113144.6 Ų144.673%0.73480%0.804SS**  -122.2-154.85934.4-15.1000110.7
11M27.1Very low34.9Very low176 Ų176144.8 Ų144.887%0.86780%0.804SS**  cis-155.4169.911.6-158.2164.56900112.3
12M35.5Very low35.3Very low172 Ų172142.8 Ų142.885%0.84780%0.796SS**  trans-87143.9-177.1-66.4-108.7-72.400114.3
13A29.8Very low36Very low107 Ų107145.2 Ų145.288%0.88480%0.798SS**  trans-145137.6151.400000109.2
14Q38.1Very low36.5Very low185 Ų185144.2 Ų144.286%0.86478%0.784SS**  trans-107.7136.5-166.6-167.8-179.721.900111.1
15K31.6Very low36.8Very low198 Ų198141.3 Ų141.386%0.86177%0.771SS**  trans-147.8121167.5-105.5179.5-179.2-179.10113
16S31.8Very low37.5Very low114 Ų114140.7 Ų140.780%0.79777%0.765SS**  trans21.1112154.454.20000119.9
17Q40.4Very low38.1Very low205 Ų205137.7 Ų137.796%0.95875%0.751SS**  trans-76.5150.6148.2-70.3177-63.700110.4
18G36.2Very low38.8Very low75 Ų75137 Ų13777%0.77374%0.742SS**  trans142.280.8156.300000116.8
19S42.5Very low39.7Very low114 Ų114128.6 Ų128.680%0.79772%0.718SS**SBendtrans-169.341.6147.6-167.70000115.3
20D40.3Very low40.4Very low138 Ų138129.7 Ų129.774%0.73871%0.709SS**  trans-118.3-4-173.8-59.6-74.4000115.9
21N41.8Very low40.8Very low149 Ų149131.6 Ų131.680%0.79770%0.702SS**THydrogen-bonded Turntrans-96.914.7-166.5-87.9-117000115.6
22L42.7Very low41.7Very low158 Ų158129.3 Ų129.383%0.82769%0.689SS**THydrogen-bonded Turntrans-100.8-32.9-177.3-115.3157.8000113.8
23Q43.6Very low42.3Very low145 Ų145126.2 Ų126.268%0.67868%0.675SS**Hα-helixtrans-72.1-49.4-179.8-154.183.4-2.500111.9G25 Q26 E27Q23-G25 VanDerWaalsContact C-N 3.3Å; Q23-G25 PolarHBondContact O-N 3.32Å; Q23-Q26 PolarHBondContact O-N 3.13Å; Q23-E27 PolarHBondContact O-N 2.91Å
24E44.2Very low43Very low106 Ų106127 Ų12750%0.49566%0.664SS.*Hα-helixtrans-64.6-31.7-170.5-158.3-167.3171.300113.2Q26 K28E24-Q26 VanDerWaalsContact C-N 3.34Å; E24-K28 HydrophobicContact CG-CD 4.47Å; E24-K28 WeakPolarHBondContact O-CG 3.46Å; E24-K28 PolarHBondContact O-N 3.31Å; E24-K28 VanDerWaalsContact OE1-CE 3.28Å; E24-K28 WeakPolarHBondContact OE1-CE 3.38Å; E24-K28 IonicContact OE1-NZ 2.68Å; E24-K28 PolarHBondContact OE1-NZ 3.3Å; E24-K28 IonicContact OE2-NZ 2.73Å
25G41.1Very low43.2Very low46 Ų46125.5 Ų125.547%0.47465%0.654SS.*Hα-helixtrans-68.4-31.3175.100000113.2Q23 S29Q23-G25 VanDerWaalsContact C-N 3.3Å; Q23-G25 PolarHBondContact O-N 3.32Å; G25-S29 WeakPolarHBondContact O-CB 3.46Å; G25-S29 PolarHBondContact O-N 3.11Å; G25-S29 VanDerWaalsContact O-N 3.13Å
26Q45.5Very low43.4Very low123 Ų123120.3 Ų120.358%0.57564%0.642SS**Hα-helixtrans-75.7-36.5-178.1-156.1-178.734.500111.8Q23 E24 K30Q23-Q26 PolarHBondContact O-N 3.13Å; E24-Q26 VanDerWaalsContact C-N 3.34Å; Q26-K30 WeakPolarHBondContact O-CG 3.4Å; Q26-K30 PolarHBondContact O-N 3.45Å
27E46.8Very low43.8Very low94 Ų94119.6 Ų119.644%0.43963%0.633SS.*Hα-helixtrans-68.8-43172.1-73.2-167.6-175.700113Q23 S29 K30 R31Q23-E27 PolarHBondContact O-N 2.91Å; E27-S29 VanDerWaalsContact C-N 3.27Å; E27-S29 PolarHBondContact O-N 2.84Å; E27-K30 PolarHBondContact O-N 2.89Å; E27-K30 VanDerWaalsContact O-N 3.11Å; E27-R31 WeakPolarHBondContact O-CG 3.5Å; E27-R31 PolarHBondContact O-N 2.73Å; E27-R31 IonicContact OE2-CZ 3.67Å; E27-R31 IonicContact OE2-NE 3.59Å; E27-R31 IonicContact OE2-NH2 3.16Å; E27-R31 PolarHBondContact OE2-NH2 3.24Å
28K48Very low43.6Very low115 Ų115118.2 Ų118.250%0.562%0.624SS.*Hα-helixtrans-59.6-41.6177.7-73.8172.2-178.1172.40110.9E24 K30 R31 E32E24-K28 HydrophobicContact CG-CD 4.47Å; E24-K28 WeakPolarHBondContact O-CG 3.46Å; E24-K28 PolarHBondContact O-N 3.31Å; E24-K28 VanDerWaalsContact OE1-CE 3.28Å; E24-K28 WeakPolarHBondContact OE1-CE 3.38Å; E24-K28 IonicContact OE1-NZ 2.68Å; E24-K28 PolarHBondContact OE1-NZ 3.3Å; E24-K28 IonicContact OE2-NZ 2.73Å; K28-K30 PolarHBondContact O-N 3.48Å; K28-R31 PolarHBondContact O-N 3.1Å; K28-E32 VanDerWaalsContact O-CG 3.31Å; K28-E32 WeakPolarHBondContact O-CG 3.45Å; K28-E32 PolarHBondContact O-N 3.49Å
29S46Very low43.7Very low62 Ų62119.5 Ų119.543%0.43462%0.621SS.*Hα-helixtrans-56.8-47.9171.5-176.10000112.8G25 E27 R31 E32 I33G25-S29 WeakPolarHBondContact O-CB 3.46Å; G25-S29 PolarHBondContact O-N 3.11Å; G25-S29 VanDerWaalsContact O-N 3.13Å; E27-S29 VanDerWaalsContact C-N 3.27Å; E27-S29 PolarHBondContact O-N 2.84Å; S29-R31 PolarHBondContact O-N 3.18Å; S29-E32 PolarHBondContact O-N 3.36Å; S29-I33 WeakPolarHBondContact O-CD1 3.5Å; S29-I33 VanDerWaalsContact O-CG1 3.28Å; S29-I33 WeakPolarHBondContact O-CG1 3.27Å; S29-I33 PolarHBondContact O-N 3.27Å; S29-I33 VanDerWaalsContact O-N 3.09Å
30K52.3Low43.4Very low128 Ų128117.5 Ų117.556%0.55761%0.611SS**Hα-helixtrans-60.5-43.6176.7-70.4173.5179.3-177.70112.7Q26 E27 K28 I33 L34Q26-K30 WeakPolarHBondContact O-CG 3.4Å; Q26-K30 PolarHBondContact O-N 3.45Å; E27-K30 PolarHBondContact O-N 2.89Å; E27-K30 VanDerWaalsContact O-N 3.11Å; K28-K30 PolarHBondContact O-N 3.48Å; K30-I33 PolarHBondContact O-N 3.19Å; K30-L34 PolarHBondContact O-N 2.97Å
31R51.9Low42.9Very low154 Ų154122.6 Ų122.658%0.58162%0.62SS**Hα-helixtrans-70.1-31.1-179.7-63.2178.6-151.6-105.97.3112.9E27 K28 S29 K35E27-R31 WeakPolarHBondContact O-CG 3.5Å; E27-R31 PolarHBondContact O-N 2.73Å; E27-R31 IonicContact OE2-CZ 3.67Å; E27-R31 IonicContact OE2-NE 3.59Å; E27-R31 IonicContact OE2-NH2 3.16Å; E27-R31 PolarHBondContact OE2-NH2 3.24Å; K28-R31 PolarHBondContact O-N 3.1Å; S29-R31 PolarHBondContact O-N 3.18Å; R31-K35 WeakPolarHBondContact O-CG 3.36Å; R31-K35 PolarHBondContact O-N 3.29Å
32E46Very low42.5Very low127 Ų127120 Ų12059%0.59362%0.62SS**Hα-helixtrans-68.3-44.2171.9-72.7-76.4114.200111.7K28 S29 L34 K35 C36K28-E32 VanDerWaalsContact O-CG 3.31Å; K28-E32 WeakPolarHBondContact O-CG 3.45Å; K28-E32 PolarHBondContact O-N 3.49Å; S29-E32 PolarHBondContact O-N 3.36Å; E32-L34 PolarHBondContact O-N 3.26Å; E32-K35 PolarHBondContact O-N 3.04Å; E32-C36 PolarHBondContact O-N 3.49Å; E32-C36 VanDerWaalsContact O-N 3.13Å; E32-C36 PolarHBondContact O-SG 3.14Å
33I48Very low42.2Very low108 Ų108118.2 Ų118.255%0.55462%0.618SS**Hα-helixtrans-59.8-46179.7-69.9163.8000111.1S29 K30 K35 C36S29-I33 WeakPolarHBondContact O-CD1 3.5Å; S29-I33 VanDerWaalsContact O-CG1 3.28Å; S29-I33 WeakPolarHBondContact O-CG1 3.27Å; S29-I33 PolarHBondContact O-N 3.27Å; S29-I33 VanDerWaalsContact O-N 3.09Å; K30-I33 PolarHBondContact O-N 3.19Å; I33-K35 VanDerWaalsContact C-N 3.31Å; I33-K35 PolarHBondContact O-N 3.04Å; I33-C36 PolarHBondContact O-N 3.36Å
34L44.4Very low41.5Very low124 Ų124119.5 Ų119.565%0.64963%0.628SS**Hα-helixtrans-67-27.7178.5-69.1169.1000113.5K30 E32 T37K30-L34 PolarHBondContact O-N 2.97Å; E32-L34 PolarHBondContact O-N 3.26Å; L34-T37 PolarHBondContact O-OG1 3.24Å
35K41.1Very low40.7Very low153 Ų153121.1 Ų121.167%0.66564%0.64SS**Hα-helixtrans-75.2-33.3175.3-77.5179.4177.5-174.60112.9R31 E32 I33 T37 K38R31-K35 WeakPolarHBondContact O-CG 3.36Å; R31-K35 PolarHBondContact O-N 3.29Å; E32-K35 PolarHBondContact O-N 3.04Å; I33-K35 VanDerWaalsContact C-N 3.31Å; I33-K35 PolarHBondContact O-N 3.04Å; K35-T37 VanDerWaalsContact C-N 3.28Å; K35-T37 PolarHBondContact O-N 3.28Å; K35-K38 PolarHBondContact O-N 3.28Å
36C37.6Very low40.2Very low88 Ų88126.9 Ų126.960%0.59566%0.655SS**Hα-helixtrans-64-33.3177.6-66.80000112.4E32 I33 K38 S39E32-C36 PolarHBondContact O-N 3.49Å; E32-C36 VanDerWaalsContact O-N 3.13Å; E32-C36 PolarHBondContact O-SG 3.14Å; I33-C36 PolarHBondContact O-N 3.36Å; C36-K38 PolarHBondContact O-N 2.93Å; C36-S39 PolarHBondContact O-OG 2.9Å; C36-S39 VanDerWaalsContact O-OG 3.06Å
37T39.3Very low39.3Very low100 Ų100132 Ų13261%0.61367%0.669SS**G310 helixtrans-72.2-19.8179.134.50000115.1L34 K35 S39L34-T37 PolarHBondContact O-OG1 3.24Å; K35-T37 VanDerWaalsContact C-N 3.28Å; K35-T37 PolarHBondContact O-N 3.28Å; T37-S39 VanDerWaalsContact C-N 3.27Å; T37-S39 PolarHBondContact O-N 3.43Å
38K37.1Very low38.5Very low175 Ų175135.2 Ų135.276%0.76169%0.689SS**G310 helixtrans-84.19.5-177.2-161.7161.5-178.1166.10114K35 C36 E912K35-K38 PolarHBondContact O-N 3.28Å; C36-K38 PolarHBondContact O-N 2.93Å; K38-E912 IonicContact NZ-OE1 3.17Å
39S36.7Very low37.6Very low102 Ų102135 Ų13571%0.71370%0.699SS**G310 helixtrans-122.35-174.165.30000115.4C36 T37C36-S39 PolarHBondContact O-OG 2.9Å; C36-S39 VanDerWaalsContact O-OG 3.06Å; T37-S39 VanDerWaalsContact C-N 3.27Å; T37-S39 PolarHBondContact O-N 3.43Å
40A36.5Very low37Very low72 Ų72138.1 Ų138.160%0.59572%0.717SS**SBendtrans-96.2-3.8-168.900000115.6
41W29.9Very low35.8Very low245 Ų245139.8 Ų139.893%0.92873%0.732SS**  trans-135.8105.7-175.5-63.697.9000111.4
42A33.4Very low35.2Very low95 Ų95137.5 Ų137.579%0.78574%0.738SS**  trans-140.9121160.500000106.3
43P36.6Very low34.3Very low121 Ų121140.8 Ų140.879%0.78675%0.753SS**  trans-78.6145.5-178.832.2-33.8000111
44L29.7Very low33.5Very low171 Ų171144.7 Ų144.790%0.89577%0.769SS**  trans-151.4147.1151-149.272.1000108.9
45D26.2Very low32.6Very low140 Ų140147 Ų14775%0.74978%0.776SS**  trans-89.8-171.7-154.4-57.9-85.4000115.3
46E31Very low32.2Very low168 Ų168145 Ų14579%0.78578%0.782SS**  trans79.9104.7145.6-136.6-173.7-106.100116.6
47W26.9Very low31.7Very low229 Ų229148.4 Ų148.487%0.86779%0.789SS**  -175.9139.7107.6-101.144.7000110.5
48L29.8Very low31.1Very low163 Ų163149 Ų14985%0.85380%0.797SS**PPolyproline II helixtrans-80143.7-179.7-76.6161.9000112.3
49P30.1Very low30.6Very low111 Ų111148.9 Ų148.972%0.72180%0.804SS**PPolyproline II helixtrans-83.2145167.334.2-32.7000111.6
50P32.6Very low30Very low126 Ų126149.4 Ų149.482%0.81880%0.803SS**PPolyproline II helixtrans-79.5148.816732.9-33.6000112
51D26.7Very low29.8Very low163 Ų163153.3 Ų153.387%0.87281%0.812SS**PPolyproline II helixtrans-82171.5178.1-129.515.4000112
52P39.3Very low29.9Very low107 Ų107147.4 Ų147.470%0.69581%0.806SS**PPolyproline II helixtrans-90.9152.8-154.535.4-38.3000115.9
53E26.4Very low29.8Very low196 Ų196149.1 Ų149.192%0.91680%0.799SS**PPolyproline II helixtrans-82149.6159.3-69.6-167.1144.400111.6
54E32Very low29.7Very low190 Ų190151.3 Ų151.389%0.88880%0.803SS**PPolyproline II helixtrans-71139.7178.5-53.7177.6107.200111.9
55E26.7Very low30.2Very low171 Ų171149.3 Ų149.380%0.79979%0.789SS**  trans-148.2103.1132.8-134.5179.7-15900112.6Q57E55-Q57 PolarHBondContact O-N 2.99Å
56S31.2Very low30.8Very low113 Ų113146.8 Ų146.879%0.7978%0.776SS**  trans-83111173.654.70000110.4
57Q27Very low31.2Very low159 Ų159144.1 Ų144.174%0.74378%0.776SS**  trans-140.9100.1168.5-111.2168.896.400112.3E55 L59E55-Q57 PolarHBondContact O-N 2.99Å; Q57-L59 PolarHBondContact O-N 2.96Å
58S28.2Very low32.1Very low112 Ų112141.3 Ų141.378%0.78377%0.77SS**  trans-72.3119.8175.755.50000111.6
59L24.8Very low32.7Very low172 Ų172139.3 Ų139.390%0.90176%0.756SS**  trans-125.4130.2165.1-97.1163.4000109.2Q57Q57-L59 PolarHBondContact O-N 2.96Å
60T25.2Very low33.1Very low114 Ų114139.8 Ų139.870%0.69975%0.749SS**  trans-132.1159.7-162.2-36.40000110.7
61I33Very low33.5Very low153 Ų153137.4 Ų137.479%0.78574%0.735SS**  trans78.1137.6171.4-52.8175.3000112.6
62P31.3Very low34.4Very low122 Ų122134.3 Ų134.379%0.79272%0.717SS**  cis-111165.114.7167.1000116.4
63M32.2Very low34.4Very low131 Ų131133.3 Ų133.365%0.64570%0.704SS**  trans-79.2153.6178.6-48.9-143.877.900112.7E65M63-E65 HydrophobicContact CB-CB 4.5Å; M63-E65 HydrophobicContact CE-CB 3.75Å; M63-E65 HydrophobicContact CE-CG 4.3Å; M63-E65 WeakPolarHBondContact CE-OE2 3.42Å
64L33.9Very low34.9Very low167 Ų167130.3 Ų130.387%0.87469%0.69SS**  trans-142.465148-174.166.2000107.5
65E38.7Very low35.3Very low128 Ų128131.4 Ų131.460%0.59869%0.686SS**  trans-117.26.1-166.1-149145.7177.600112.4M63 S67 K68M63-E65 HydrophobicContact CB-CB 4.5Å; M63-E65 HydrophobicContact CE-CB 3.75Å; M63-E65 HydrophobicContact CE-CG 4.3Å; M63-E65 WeakPolarHBondContact CE-OE2 3.42Å; E65-S67 VanDerWaalsContact C-N 3.34Å; E65-S67 PolarHBondContact O-N 3.38Å; E65-K68 PolarHBondContact O-N 3.2Å
66D38.9Very low36Very low87 Ų87129 Ų12947%0.46568%0.678SS.*Hα-helixtrans-69.2-29.7-167.6-49.7-62.6000112.9K68 Q69 E70D66-K68 PolarHBondContact O-N 3.36Å; D66-Q69 PolarHBondContact O-N 2.85Å; D66-E70 WeakPolarHBondContact O-CB 3.27Å; D66-E70 WeakPolarHBondContact O-CG 3.49Å; D66-E70 PolarHBondContact O-N 3.49Å
67S41.3Very low36.3Very low113 Ų113129.3 Ų129.379%0.7967%0.67SS**Hα-helixtrans-61.6-17.7-178.5179.70000114.9E65E65-S67 VanDerWaalsContact C-N 3.34Å; E65-S67 PolarHBondContact O-N 3.38Å
68K45.3Very low36.9Very low169 Ų169125.3 Ų125.374%0.73566%0.66SS**Hα-helixtrans-111.3-31.2173.5-72.5-173.1176.8-178.60112.5E65 D66 S71E65-K68 PolarHBondContact O-N 3.2Å; D66-K68 PolarHBondContact O-N 3.36Å; K68-S71 PolarHBondContact O-N 3.33Å
69Q42.8Very low37.7Very low121 Ų121123.1 Ų123.157%0.56566%0.655SS**Hα-helixtrans-68.8-39.4178-159.969.1-0.900112.1D66 S71 I72 Q73D66-Q69 PolarHBondContact O-N 2.85Å; Q69-S71 VanDerWaalsContact C-N 3.3Å; Q69-S71 PolarHBondContact O-N 3.03Å; Q69-I72 PolarHBondContact O-N 3.37Å; Q69-I72 VanDerWaalsContact O-N 3.16Å; Q69-Q73 PolarHBondContact O-N 3.48Å
70E37.8Very low38.1Very low121 Ų121124.4 Ų124.457%0.56565%0.654SS**Hα-helixtrans-60.6-37.4175.5-74.8-165.6129.600112.3D66 I72 Q73 Q74D66-E70 WeakPolarHBondContact O-CB 3.27Å; D66-E70 WeakPolarHBondContact O-CG 3.49Å; D66-E70 PolarHBondContact O-N 3.49Å; E70-I72 PolarHBondContact O-N 2.99Å; E70-Q73 PolarHBondContact O-N 2.92Å; E70-Q74 WeakPolarHBondContact O-CB 3.38Å; E70-Q74 VanDerWaalsContact O-CG 3.29Å; E70-Q74 WeakPolarHBondContact O-CG 3.32Å; E70-Q74 PolarHBondContact O-N 2.81Å
71S40.7Very low38.4Very low76 Ų76129 Ų12953%0.53167%0.665SS.*Hα-helixtrans-67.2-24.1179-173.40000113.4K68 Q69K68-S71 PolarHBondContact O-N 3.33Å; Q69-S71 VanDerWaalsContact C-N 3.3Å; Q69-S71 PolarHBondContact O-N 3.03Å
72I45.1Very low38.3Very low98 Ų98128.4 Ų128.450%0.50367%0.668SS.*Hα-helixtrans-87.8-41.5176-62.7172.3000109.5Q69 E70 W75 L76Q69-I72 PolarHBondContact O-N 3.37Å; Q69-I72 VanDerWaalsContact O-N 3.16Å; E70-I72 PolarHBondContact O-N 2.99Å; I72-W75 VanDerWaalsContact O-CB 3.32Å; I72-W75 WeakPolarHBondContact O-CB 3.47Å; I72-W75 PolarHBondContact O-N 3.45Å; I72-W75 VanDerWaalsContact O-N 3.15Å; I72-L76 HydrophobicContact CG2-CD1 4.46Å; I72-L76 PolarHBondContact O-N 3.33Å
73Q39.3Very low38.7Very low87 Ų87127.6 Ų127.641%0.40767%0.665SS.*Hα-helixtrans-66.1-40.6178.8-169.557.74300112.2Q69 E70 W75 L76 D77Q69-Q73 PolarHBondContact O-N 3.48Å; E70-Q73 PolarHBondContact O-N 2.92Å; Q73-W75 PolarHBondContact O-N 3.15Å; Q73-L76 PolarHBondContact O-N 2.75Å; Q73-D77 WeakPolarHBondContact CG-OD2 3.49Å; Q73-D77 VanDerWaalsContact NE2-CG 3.32Å; Q73-D77 PolarHBondContact NE2-OD1 2.9Å; Q73-D77 PolarHBondContact NE2-OD2 3.43Å; Q73-D77 PolarHBondContact O-N 3.49Å
74Q36.9Very low38.5Very low133 Ų133125.1 Ų125.162%0.62167%0.665SS**Hα-helixtrans-59.4-30.4172.6-75179.812.300112.9E70 S78E70-Q74 WeakPolarHBondContact O-CB 3.38Å; E70-Q74 VanDerWaalsContact O-CG 3.29Å; E70-Q74 WeakPolarHBondContact O-CG 3.32Å; E70-Q74 PolarHBondContact O-N 2.81Å; Q74-S78 WeakPolarHBondContact O-CB 3.47Å; Q74-S78 PolarHBondContact O-N 2.88Å; Q74-S78 VanDerWaalsContact O-N 3.15Å; Q74-S78 PolarHBondContact O-OG 3.46Å
75W40.8Very low38.7Very low213 Ų213123.8 Ų123.881%0.80766%0.659SS**Hα-helixtrans-75.2-25.5176.3-123.988.8000113.2I72 Q73 S78I72-W75 VanDerWaalsContact O-CB 3.32Å; I72-W75 WeakPolarHBondContact O-CB 3.47Å; I72-W75 PolarHBondContact O-N 3.45Å; I72-W75 VanDerWaalsContact O-N 3.15Å; Q73-W75 PolarHBondContact O-N 3.15Å; W75-S78 PolarHBondContact O-OG 3.18Å
76L41.1Very low38.7Very low121 Ų121126.2 Ų126.263%0.63467%0.67SS**Hα-helixtrans-86.4-35.6176.5-65.9172.7000111.9I72 Q73I72-L76 HydrophobicContact CG2-CD1 4.46Å; I72-L76 PolarHBondContact O-N 3.33Å; Q73-L76 PolarHBondContact O-N 2.75Å
77D37.5Very low38.4Very low118 Ų118127.8 Ų127.863%0.63168%0.679SS**Hα-helixtrans-83.8-12.9179.2-67.9-38.9000113.6Q73 G79Q73-D77 WeakPolarHBondContact CG-OD2 3.49Å; Q73-D77 VanDerWaalsContact NE2-CG 3.32Å; Q73-D77 PolarHBondContact NE2-OD1 2.9Å; Q73-D77 PolarHBondContact NE2-OD2 3.43Å; Q73-D77 PolarHBondContact O-N 3.49Å; D77-G79 PolarHBondContact O-N 2.71Å
78S39.8Very low37.9Very low75 Ų75129.7 Ų129.752%0.52467%0.673SS.*SBendtrans-75.165.9169.963.40000111.8Q74 W75 F80Q74-S78 WeakPolarHBondContact O-CB 3.47Å; Q74-S78 PolarHBondContact O-N 2.88Å; Q74-S78 VanDerWaalsContact O-N 3.15Å; Q74-S78 PolarHBondContact O-OG 3.46Å; W75-S78 PolarHBondContact O-OG 3.18Å; S78-F80 PolarHBondContact O-N 3.16Å
79G45.2Very low37.5Very low67 Ų67128.5 Ų128.569%0.69167%0.67SS**  trans-58.9102.7-166.200000115.8D77D77-G79 PolarHBondContact O-N 2.71Å
80F34.1Very low37.2Very low199 Ų199130.2 Ų130.287%0.87368%0.678SS**  trans-115.147.9171.5-153-94.3000112.7S78S78-F80 PolarHBondContact O-N 3.16Å
81F31.4Very low37Very low211 Ų211128.5 Ų128.593%0.92568%0.676SS**  trans-129.2103.3164.2-94.5-83.9000109.7
82V29.2Very low37Very low139 Ų139129 Ų12984%0.84267%0.672SS**  trans-123.1133.7168.7176.40000108.2
83S40.1Very low36.4Very low106 Ų106130 Ų13074%0.74168%0.678SS**  trans-60.5138.8-176.1-177.50000112.8N85S83-N85 PolarHBondContact OG-N 3.16Å
84A28.7Very low36.1Very low78 Ų78135.6 Ų135.665%0.64570%0.695SS**  trans-128.923.7163.900000112.3E86A84-E86 PolarHBondContact O-N 3.37Å
85N37.8Very low35.9Very low140 Ų140133 Ų13375%0.74969%0.689SS**  trans-78.870.6167.7179.250.2000110.5S83S83-N85 PolarHBondContact OG-N 3.16Å
86E38.7Very low35.7Very low178 Ų178128.1 Ų128.183%0.83268%0.682SS**SBendtrans-175.664.9164.6-112.3172.5-134.700111.6A84A84-E86 PolarHBondContact O-N 3.37Å
87N33.2Very low35.4Very low120 Ų120126.7 Ų126.764%0.64268%0.682SS**  trans-167.8-16.3159.8-119.5-81.5000118.2Q89 Q90N87-Q89 PolarHBondContact O-N 2.9Å; N87-Q90 PolarHBondContact O-N 3.35Å
88F30.8Very low35.1Very low154 Ų154127.9 Ų127.968%0.67569%0.688SS**G310 helixtrans-61-15.8-165.4-77.7-79.3000116.7Q90F88-Q90 PolarHBondContact O-N 3.38Å
89Q36Very low34.9Very low143 Ų143133.5 Ų133.567%0.66870%0.699SS**G310 helixtrans-73.6-16.5-179.2-156.9606600114.9N87N87-Q89 PolarHBondContact O-N 2.9Å
90Q37.9Very low34.5Very low157 Ų157139.6 Ų139.673%0.73471%0.709SS**G310 helixtrans-100.6-11.2-179.6-73.7-166.61.900115.3N87 F88N87-Q90 PolarHBondContact O-N 3.35Å; F88-Q90 PolarHBondContact O-N 3.38Å
91V33.5Very low34.7Very low85 Ų85138.6 Ų138.652%0.51571%0.707SS.*THydrogen-bonded Turntrans-88.2-41.8179.1-178.90000111D93 R94 T95V91-D93 PolarHBondContact O-N 2.83Å; V91-R94 PolarHBondContact O-N 2.69Å; V91-T95 PolarHBondContact O-N 2.88Å; V91-T95 VanDerWaalsContact O-N 3.14Å; V91-T95 PolarHBondContact O-OG1 2.93Å
92I40.5Very low35.5Very low88 Ų88132.1 Ų132.145%0.45170%0.7SS.*Hα-helixtrans-55-51-176.5-64.2170.8000111.2R94 T95 V96I92-R94 PolarHBondContact O-N 2.94Å; I92-T95 PolarHBondContact O-N 2.92Å; I92-T95 VanDerWaalsContact O-N 3.09Å; I92-V96 HydrophobicContact CG2-CG2 4.13Å; I92-V96 VanDerWaalsContact O-CG2 3.32Å; I92-V96 WeakPolarHBondContact O-CG2 3.4Å; I92-V96 PolarHBondContact O-N 2.9Å
93D32.7Very low35.7Very low117 Ų117133 Ų13363%0.62670%0.697SS**Hα-helixtrans-62.2-14.5-179.1-66.51.1000114.2V91V91-D93 PolarHBondContact O-N 2.83Å
94R32.5Very low35.9Very low206 Ų206134 Ų13478%0.77770%0.698SS**Hα-helixtrans-103.5-17.7176.3-108.6-177.2176.7178.70114.7V91 I92V91-R94 PolarHBondContact O-N 2.69Å; I92-R94 PolarHBondContact O-N 2.94Å
95T33.1Very low36.5Very low79 Ų79139.2 Ų139.249%0.48571%0.71SS.*Hα-helixtrans-88.7-32.1173.8-44.70000111.4V91 I92 S97 L98V91-T95 PolarHBondContact O-N 2.88Å; V91-T95 VanDerWaalsContact O-N 3.14Å; V91-T95 PolarHBondContact O-OG1 2.93Å; I92-T95 PolarHBondContact O-N 2.92Å; I92-T95 VanDerWaalsContact O-N 3.09Å; T95-S97 VanDerWaalsContact C-N 3.26Å; T95-S97 PolarHBondContact O-N 3.47Å; T95-L98 PolarHBondContact O-N 3.38Å
96V35.1Very low37.3Very low109 Ų109138.5 Ų138.566%0.66170%0.703SS**G310 helixtrans-62.2-29.5179.5169.30000112.8I92 L98I92-V96 HydrophobicContact CG2-CG2 4.13Å; I92-V96 VanDerWaalsContact O-CG2 3.32Å; I92-V96 WeakPolarHBondContact O-CG2 3.4Å; I92-V96 PolarHBondContact O-N 2.9Å; V96-L98 VanDerWaalsContact C-N 3.28Å; V96-L98 PolarHBondContact O-N 3.33Å
97S34.5Very low38.6Very low92 Ų92133.6 Ų133.664%0.64369%0.685SS**G310 helixtrans-83.712.4-179.277.10000115.3T95T95-S97 VanDerWaalsContact C-N 3.26Å; T95-S97 PolarHBondContact O-N 3.47Å
98L32.2Very low39.2Very low143 Ų143133.4 Ų133.475%0.74969%0.688SS**G310 helixtrans-130.64.5-178.4-97.9168.5000114.4T95 V96T95-L98 PolarHBondContact O-N 3.38Å; V96-L98 VanDerWaalsContact C-N 3.28Å; V96-L98 PolarHBondContact O-N 3.33Å
99Y36.5Very low40.3Very low193 Ų193131.4 Ų131.476%0.75768%0.679SS**SBendtrans-104.615.5-178.2-119.3-85.7000114.7
100E35.9Very low40.9Very low194 Ų194126.8 Ų126.891%0.90766%0.659SS**  trans-99.612.1179-153.6169.4-151.700113
101Q38Very low41.7Very low178 Ų178126 Ų12683%0.83265%0.651SS**SBendtrans-11464.1-175.5-163.780.352.800112.4
102G48.2Very low42.4Very low75 Ų75126.3 Ų126.377%0.77365%0.647SS**  trans4880.315700000118.4
103M34.2Very low43.3Very low157 Ų157129 Ų12977%0.77365%0.652SS**  trans-106.9118.3163.3-68-102.665.300109.5
104V43.6Very low43.9Very low127 Ų127125.7 Ų125.777%0.7764%0.638SS**  trans-73.1133.6172.4177.90000108.7M106V104-M106 PolarHBondContact O-N 2.97Å
105Q41.4Very low44.6Very low189 Ų189120.2 Ų120.288%0.88362%0.624SS**  trans-67.7103.6170.3-76.3-178.3-41.400109.3
106M54Low45.3Very low124 Ų124123.6 Ų123.661%0.61163%0.634SS**  trans-84.3117.6171.3-163.173.27600107.8V104 D110V104-M106 PolarHBondContact O-N 2.97Å; M106-D110 HydrophobicContact CG-CB 3.83Å; M106-D110 HydrophobicContact SD-CB 3.49Å; M106-D110 WeakPolarHBondContact SD-CB 3.15Å
107T67.4Low45.7Very low75 Ų75126.1 Ų126.146%0.4664%0.638SS.*  trans-73.3165.4176.672.20000110.6K109 D110 Y111T107-K109 PolarHBondContact O-N 3.38Å; T107-K109 PolarHBondContact OG1-N 2.97Å; T107-D110 WeakPolarHBondContact CB-OD2 3.47Å; T107-D110 PolarHBondContact N-OD2 3.29Å; T107-D110 VanDerWaalsContact N-OD2 3.1Å; T107-D110 PolarHBondContact O-N 3.4Å; T107-D110 PolarHBondContact OG1-N 3.02Å; T107-D110 PolarHBondContact OG1-OD2 3.23Å; T107-Y111 PolarHBondContact O-N 2.78Å
108V45.9Very low45.7Very low116 Ų116129.5 Ų129.570%0.70364%0.642SS**Hα-helixtrans-59-37.2174-177.50000110.9D110 Y111 M112V108-D110 VanDerWaalsContact C-N 3.29Å; V108-D110 PolarHBondContact O-N 3.19Å; V108-Y111 PolarHBondContact O-N 3.33Å; V108-M112 HydrophobicContact CG1-CG 4.36Å; V108-M112 WeakPolarHBondContact O-CB 3.4Å; V108-M112 VanDerWaalsContact O-CG 3.27Å; V108-M112 WeakPolarHBondContact O-CG 3.3Å; V108-M112 PolarHBondContact O-N 2.82Å
109K53.2Low46Very low112 Ų112127.5 Ų127.549%0.48764%0.64SS.*Hα-helixtrans-65.4-30.8175.9-163.9155.4-172155.90112T107 R113 E156T107-K109 PolarHBondContact O-N 3.38Å; T107-K109 PolarHBondContact OG1-N 2.97Å; K109-R113 WeakPolarHBondContact O-CB 3.39Å; K109-R113 PolarHBondContact O-N 3.08Å; K109-E156 IonicContact NZ-OE1 3.42Å; K109-E156 PolarHBondContact NZ-OE1 3.18Å
110D49.4Very low46.1Very low46 Ų46127.3 Ų127.325%0.24665%0.646CS.*Hα-helixtrans-79.6-36.4174.7-52.5-50.6000113M106 T107 V108 R113 S114M106-D110 HydrophobicContact CG-CB 3.83Å; M106-D110 HydrophobicContact SD-CB 3.49Å; M106-D110 WeakPolarHBondContact SD-CB 3.15Å; T107-D110 WeakPolarHBondContact CB-OD2 3.47Å; T107-D110 PolarHBondContact N-OD2 3.29Å; T107-D110 VanDerWaalsContact N-OD2 3.1Å; T107-D110 PolarHBondContact O-N 3.4Å; T107-D110 PolarHBondContact OG1-N 3.02Å; T107-D110 PolarHBondContact OG1-OD2 3.23Å; V108-D110 VanDerWaalsContact C-N 3.29Å; V108-D110 PolarHBondContact O-N 3.19Å; D110-R113 PolarHBondContact O-N 3.45Å; D110-R113 IonicContact OD1-CZ 3.56Å; D110-R113 IonicContact OD1-NH1 3.48Å; D110-R113 PolarHBondContact OD1-NH1 3.38Å; D110-R113 IonicContact OD1-NH2 2.69Å; D110-S114 WeakPolarHBondContact O-CB 3.43Å; D110-S114 PolarHBondContact O-N 3Å
111Y53.2Low45.9Very low142 Ų142124.3 Ų124.356%0.55764%0.641SS**Hα-helixtrans-63.4-45173.4177.8-103.6000111.7T107 V108 S114 L115T107-Y111 PolarHBondContact O-N 2.78Å; V108-Y111 PolarHBondContact O-N 3.33Å; Y111-S114 WeakPolarHBondContact O-CB 3.45Å; Y111-S114 PolarHBondContact O-N 3.31Å; Y111-S114 VanDerWaalsContact O-N 3.17Å; Y111-L115 HydrophobicContact CD1-CD1 4.08Å; Y111-L115 HydrophobicContact CE1-CD1 3.58Å; Y111-L115 HydrophobicContact CE1-CG 4.45Å; Y111-L115 PolarHBondContact O-N 3.38Å
112M49.6Very low45.7Very low90 Ų90121.1 Ų121.144%0.44364%0.635SS.*Hα-helixtrans-60.9-44.7173.9-69.5-66.2-73.200111.4V108 S114 L115V108-M112 HydrophobicContact CG1-CG 4.36Å; V108-M112 WeakPolarHBondContact O-CB 3.4Å; V108-M112 VanDerWaalsContact O-CG 3.27Å; V108-M112 WeakPolarHBondContact O-CG 3.3Å; V108-M112 PolarHBondContact O-N 2.82Å; M112-S114 VanDerWaalsContact C-N 3.27Å; M112-S114 PolarHBondContact O-N 2.89Å; M112-L115 PolarHBondContact O-N 3.42Å; M112-L115 VanDerWaalsContact O-N 3.14Å; M112-L115 HydrophobicContact SD-CD1 4.39Å
113R58.2Low44.9Very low145 Ų145125.7 Ų125.755%0.54764%0.64SS.*Hα-helixtrans-61.1-35.4174.4-161-175.8-53.5106.22.8112.5K109 D110K109-R113 WeakPolarHBondContact O-CB 3.39Å; K109-R113 PolarHBondContact O-N 3.08Å; D110-R113 PolarHBondContact O-N 3.45Å; D110-R113 IonicContact OD1-CZ 3.56Å; D110-R113 IonicContact OD1-NH1 3.48Å; D110-R113 PolarHBondContact OD1-NH1 3.38Å; D110-R113 IonicContact OD1-NH2 2.69Å
114S46.7Very low44.9Very low47 Ų47125.6 Ų125.633%0.32964%0.642SS.*Hα-helixtrans-71.1-26.5176.3-173.10000113.6D110 Y111 M112 Q117 F118D110-S114 WeakPolarHBondContact O-CB 3.43Å; D110-S114 PolarHBondContact O-N 3Å; Y111-S114 WeakPolarHBondContact O-CB 3.45Å; Y111-S114 PolarHBondContact O-N 3.31Å; Y111-S114 VanDerWaalsContact O-N 3.17Å; M112-S114 VanDerWaalsContact C-N 3.27Å; M112-S114 PolarHBondContact O-N 2.89Å; S114-Q117 PolarHBondContact O-N 2.99Å; S114-F118 VanDerWaalsContact O-CD2 3.27Å; S114-F118 WeakPolarHBondContact O-CD2 3.46Å
115L47Very low44.4Very low92 Ų92125.1 Ų125.148%0.48264%0.644SS.*Hα-helixtrans-69.2-40.7178.9-88.5163.2000112.1Y111 M112 Q117 F118Y111-L115 HydrophobicContact CD1-CD1 4.08Å; Y111-L115 HydrophobicContact CE1-CD1 3.58Å; Y111-L115 HydrophobicContact CE1-CG 4.45Å; Y111-L115 PolarHBondContact O-N 3.38Å; M112-L115 PolarHBondContact O-N 3.42Å; M112-L115 VanDerWaalsContact O-N 3.14Å; M112-L115 HydrophobicContact SD-CD1 4.39Å; L115-Q117 PolarHBondContact O-N 2.78Å; L115-F118 PolarHBondContact O-N 2.87Å
116H46.5Very low43.9Very low150 Ų150127.9 Ų127.969%0.69465%0.647SS**G310 helixtrans-67.7-12.3176.1-77.1-99.4000113.8F118H116-F118 VanDerWaalsContact C-N 3.32Å; H116-F118 PolarHBondContact O-N 3.36Å
117Q43.9Very low42.8Very low161 Ų161125.4 Ų125.475%0.75265%0.652SS**G310 helixtrans-86.63.6-178.1-162.7145.957.500114.3S114 L115S114-Q117 PolarHBondContact O-N 2.99Å; L115-Q117 PolarHBondContact O-N 2.78Å
118F34.6Very low41.1Very low164 Ų164128.6 Ų128.672%0.71967%0.672SS**G310 helixtrans-116-1.8-179-72.1-72.4000115.5S114 L115 H116 E120S114-F118 VanDerWaalsContact O-CD2 3.27Å; S114-F118 WeakPolarHBondContact O-CD2 3.46Å; L115-F118 PolarHBondContact O-N 2.87Å; H116-F118 VanDerWaalsContact C-N 3.32Å; H116-F118 PolarHBondContact O-N 3.36Å; F118-E120 PolarHBondContact O-N 3.41Å
119S37.8Very low40.4Very low101 Ų101128 Ų12871%0.70667%0.673SS**SBendtrans-9423.9-176.358.50000115.1
120E38.5Very low39.6Very low189 Ų189133 Ų13388%0.88370%0.696SS**  trans-136.6112.5172.9-121-175.1-169.700112F118F118-E120 PolarHBondContact O-N 3.41Å
121T31.8Very low38.9Very low131 Ų131137.9 Ų137.980%0.80472%0.721SS**  trans-115.5142.2171.452.60000110.7
122P35.3Very low37.9Very low110 Ų110136.5 Ų136.571%0.71473%0.732SS**  trans-94.7140.2-143.533.9-36.8000115.4
123I30Very low36.9Very low172 Ų172137.6 Ų137.688%0.88275%0.748SS**  trans-99.8110.6159.5-57.5-179000108.3S125I123-S125 PolarHBondContact O-N 3.16Å
124L36Very low36.1Very low154 Ų154142.3 Ų142.381%0.80677%0.767SS**  trans-73.7122.3-172.4-69.1169.7000112.8
125S31.7Very low35.5Very low117 Ų117145.2 Ų145.282%0.81879%0.788SS**  trans-149.756.6159.3-83.30000115I123I123-S125 PolarHBondContact O-N 3.16Å
126R31.8Very low35Very low248 Ų248147.2 Ų147.294%0.93680%0.804SS**  52.975.6128.3-165.4-173.1170.7161.5-2.7119.2
127G29.4Very low34.7Very low71 Ų71144 Ų14473%0.73280%0.803SS**  trans79.8152.4147.800000117.3
128T32.5Very low35Very low143 Ų143140.1 Ų140.188%0.87779%0.794SS**  cis-149.9178.521.652.80000112.6
129S30.7Very low36.4Very low104 Ų104137.4 Ų137.473%0.72779%0.791SS**  trans76.983.2161.5-162.80000119.1N131S129-N131 PolarHBondContact O-N 2.88Å; S129-N131 VanDerWaalsContact O-N 3.12Å
130F37Very low37.5Very low217 Ų217133.2 Ų133.295%0.95276%0.761SS**  trans-68.296.8150.8-92-98.2000109.8
131N35.9Very low38.8Very low147 Ų147132.8 Ų132.879%0.78676%0.759SS**  trans173.597144.5-96.5-16.4000111.5S129S129-N131 PolarHBondContact O-N 2.88Å; S129-N131 VanDerWaalsContact O-N 3.12Å
132S31.3Very low40.5Very low113 Ų113129.1 Ų129.179%0.7974%0.738SS**  trans-160.497.5154.9-680000109
133C27.9Very low42.1Very low113 Ų113130.1 Ų130.176%0.76474%0.737SS**  27.7136.6125.2-54.80000120.2S135C133-S135 PolarHBondContact O-N 2.98Å; C133-S135 PolarHBondContact O-OG 2.99Å
134Y43.1Very low44.1Very low245 Ų245126.1 Ų126.196%0.96172%0.722SS**  trans-26.6106.9158.5-60.7-92000112.8
135S34Very low45.8Very low108 Ų108122.3 Ų122.376%0.75570%0.7SS**  trans-100.7132.1168.2-65.60000107.9C133C133-S135 PolarHBondContact O-N 2.98Å; C133-S135 PolarHBondContact O-OG 2.99Å
136T34.8Very low47.6Very low133 Ų133121.9 Ų121.982%0.81668%0.68SS**  trans-42.5135177.347.50000112.2S138T136-S138 PolarHBondContact O-N 3.34Å
137A41.8Very low49.4Very low83 Ų83115.7 Ų115.769%0.68667%0.665SS**  trans-53.4112170.100000109.5V139A137-V139 PolarHBondContact O-N 3.21Å
138S50.2Low51.4Low79 Ų79119.1 Ų119.155%0.55266%0.662SS**PPolyproline II helixtrans-67128.4170.3420000108.1T136 P140T136-S138 PolarHBondContact O-N 3.34Å; S138-P140 WeakPolarHBondContact O-CD 3.42Å; S138-P140 VanDerWaalsContact O-N 3.15Å
139V62.3Low53Low108 Ų108118.6 Ų118.666%0.65565%0.648SS**PPolyproline II helixtrans-54.1121.4170.7179.70000107.7A137 Q141 W146A137-V139 PolarHBondContact O-N 3.21Å; V139-Q141 PolarHBondContact O-N 2.92Å; V139-W146 HydrophobicContact CG1-CZ2 3.9Å
140P62.1Low54.4Low12 Ų12122 Ų1228%0.07865%0.645CS.*PPolyproline II helixtrans-56.5129.4-177.5-27.235.1000111S138 E145 W146 F149S138-P140 WeakPolarHBondContact O-CD 3.42Å; S138-P140 VanDerWaalsContact O-N 3.15Å; P140-E145 HydrophobicContact CB-CB 4.03Å; P140-E145 HydrophobicContact CB-CG 3.83Å; P140-W146 HydrophobicContact CB-CB 4.39Å; P140-W146 HydrophobicContact CB-CD2 3.82Å; P140-W146 HydrophobicContact CB-CE3 4.47Å; P140-W146 HydrophobicContact CB-CG 3.72Å; P140-W146 HydrophobicContact CG-CD2 3.83Å; P140-W146 HydrophobicContact CG-CE3 4Å; P140-W146 HydrophobicContact CG-CG 4.2Å; P140-W146 HydrophobicContact CG-CZ2 4.45Å; P140-W146 HydrophobicContact CG-CZ3 4.4Å; P140-W146 PolarHBondContact O-NE1 3.22Å; P140-F149 HydrophobicContact CG-CB 4.23Å; P140-F149 HydrophobicContact CG-CD2 4.45Å; P140-F149 HydrophobicContact CG-CG 4.3Å
141Q65.6Low56.1Low180 Ų180119 Ų11984%0.84163%0.634SS**SBendtrans-92.8-4.1-173.4-59.3-169.96.100112.3V139 E145V139-Q141 PolarHBondContact O-N 2.92Å; Q141-E145 PolarHBondContact N-OE2 3.11Å
142S67.5Low57.7Low54 Ų54116.8 Ų116.838%0.37862%0.621SS.*SBendtrans-140.7154.817971.70000112.7E145 W146S142-E145 PolarHBondContact N-OE2 2.93Å; S142-E145 PolarHBondContact O-N 3.31Å; S142-E145 VanDerWaalsContact OG-CB 3.24Å; S142-E145 WeakPolarHBondContact OG-CB 3.46Å; S142-E145 PolarHBondContact OG-N 2.79Å; S142-W146 PolarHBondContact O-N 3.12Å
143I68.8Low60Low132 Ų132115.2 Ų115.268%0.67760%0.604SS**Hα-helixtrans-61-40.5179.1-63.6171.2000112.4E145 W146 L147I143-E145 PolarHBondContact O-N 2.87Å; I143-W146 PolarHBondContact O-N 3.07Å; I143-L147 HydrophobicContact CG2-CD1 4.03Å; I143-L147 HydrophobicContact CG2-CG 4.41Å; I143-L147 WeakPolarHBondContact O-CG 3.3Å; I143-L147 PolarHBondContact O-N 3.24Å
144P72.6Confident62Low88 Ų88113.9 Ų113.957%0.57159%0.594SS**Hα-helixtrans-61.1-41.6174.1-24.835.9000113.1W146 L147 E148P144-W146 VanDerWaalsContact C-N 3.33Å; P144-W146 PolarHBondContact O-N 2.95Å; P144-L147 CarbonylContact O-C 3.6Å; P144-L147 PolarHBondContact O-N 3.23Å; P144-L147 VanDerWaalsContact O-N 3.09Å; P144-E148 WeakPolarHBondContact O-CB 3.48Å; P144-E148 PolarHBondContact O-N 2.92Å
145E69.9Low63.5Low74 Ų74105.4 Ų105.435%0.34657%0.567SS.*Hα-helixtrans-68.2-31.9178.8-167.5-174.7-16400111.7P140 Q141 S142 I143 F149P140-E145 HydrophobicContact CB-CB 4.03Å; P140-E145 HydrophobicContact CB-CG 3.83Å; Q141-E145 PolarHBondContact N-OE2 3.11Å; S142-E145 PolarHBondContact N-OE2 2.93Å; S142-E145 PolarHBondContact O-N 3.31Å; S142-E145 VanDerWaalsContact OG-CB 3.24Å; S142-E145 WeakPolarHBondContact OG-CB 3.46Å; S142-E145 PolarHBondContact OG-N 2.79Å; I143-E145 PolarHBondContact O-N 2.87Å; E145-F149 VanDerWaalsContact O-CB 3.25Å; E145-F149 WeakPolarHBondContact O-CB 3.44Å; E145-F149 PolarHBondContact O-N 3.46Å
146W70.6Confident65.6Low107 Ų107104.4 Ų104.441%0.40555%0.551SS.*Hα-helixtrans-65.8-45.1165.7-84.9107.3000112V139 P140 S142 I143 P144 E148 F149 W150V139-W146 HydrophobicContact CG1-CZ2 3.9Å; P140-W146 HydrophobicContact CB-CB 4.39Å; P140-W146 HydrophobicContact CB-CD2 3.82Å; P140-W146 HydrophobicContact CB-CE3 4.47Å; P140-W146 HydrophobicContact CB-CG 3.72Å; P140-W146 HydrophobicContact CG-CD2 3.83Å; P140-W146 HydrophobicContact CG-CE3 4Å; P140-W146 HydrophobicContact CG-CG 4.2Å; P140-W146 HydrophobicContact CG-CZ2 4.45Å; P140-W146 HydrophobicContact CG-CZ3 4.4Å; P140-W146 PolarHBondContact O-NE1 3.22Å; S142-W146 PolarHBondContact O-N 3.12Å; I143-W146 PolarHBondContact O-N 3.07Å; P144-W146 VanDerWaalsContact C-N 3.33Å; P144-W146 PolarHBondContact O-N 2.95Å; W146-E148 VanDerWaalsContact C-N 3.32Å; W146-E148 PolarHBondContact O-N 2.75Å; W146-F149 PolarHBondContact O-N 3.09Å; W146-W150 AromaticContact CE3-CD1 3.73Å; W146-W150 AromaticContact CE3-NE1 3.38Å; W146-W150 AromaticContact CZ3-NE1 3.59Å; W146-W150 PolarHBondContact O-N 2.87Å
147L70.1Confident67.7Low119 Ų119101.4 Ų101.462%0.62353%0.529SS*.Hα-helixtrans-65-35.4-179.8-72168.1000112.3I143 P144 W150 E151I143-L147 HydrophobicContact CG2-CD1 4.03Å; I143-L147 HydrophobicContact CG2-CG 4.41Å; I143-L147 WeakPolarHBondContact O-CG 3.3Å; I143-L147 PolarHBondContact O-N 3.24Å; P144-L147 CarbonylContact O-C 3.6Å; P144-L147 PolarHBondContact O-N 3.23Å; P144-L147 VanDerWaalsContact O-N 3.09Å; L147-W150 CarbonylContact O-C 3.3Å; L147-W150 VanDerWaalsContact O-C 3.3Å; L147-W150 PolarHBondContact O-N 3.44Å; L147-E151 PolarHBondContact O-N 3.01Å
148E69.8Low69.5Low142 Ų142101.4 Ų101.466%0.66452%0.517SS*.Hα-helixtrans-70.8-37.9173.2-170.2172-169.800111.3P144 W146 W150 E151P144-E148 WeakPolarHBondContact O-CB 3.48Å; P144-E148 PolarHBondContact O-N 2.92Å; W146-E148 VanDerWaalsContact C-N 3.32Å; W146-E148 PolarHBondContact O-N 2.75Å; E148-W150 VanDerWaalsContact C-N 3.28Å; E148-W150 PolarHBondContact O-N 3.33Å; E148-E151 WeakPolarHBondContact O-CB 3.36Å; E148-E151 PolarHBondContact O-N 3.37Å
149F67.9Low70.9Confident132 Ų132100.8 Ų100.858%0.57951%0.507SS*.Hα-helixtrans-69-24.5172.6-164.7-87.1000113.5P140 E145 W146P140-F149 HydrophobicContact CG-CB 4.23Å; P140-F149 HydrophobicContact CG-CD2 4.45Å; P140-F149 HydrophobicContact CG-CG 4.3Å; E145-F149 VanDerWaalsContact O-CB 3.25Å; E145-F149 WeakPolarHBondContact O-CB 3.44Å; E145-F149 PolarHBondContact O-N 3.46Å; W146-F149 PolarHBondContact O-N 3.09Å
150W59.5Low71.7Confident175 Ų175102.4 Ų102.466%0.66351%0.512SS*.THydrogen-bonded Turntrans-103.615.9172.4-70.4103.5000112.8W146 L147 E148 I152W146-W150 AromaticContact CE3-CD1 3.73Å; W146-W150 AromaticContact CE3-NE1 3.38Å; W146-W150 AromaticContact CZ3-NE1 3.59Å; W146-W150 PolarHBondContact O-N 2.87Å; L147-W150 CarbonylContact O-C 3.3Å; L147-W150 VanDerWaalsContact O-C 3.3Å; L147-W150 PolarHBondContact O-N 3.44Å; E148-W150 VanDerWaalsContact C-N 3.28Å; E148-W150 PolarHBondContact O-N 3.33Å; W150-I152 PolarHBondContact O-N 2.75Å
151E72.1Confident72.5Confident154 Ų154107.5 Ų107.572%0.7254%0.538SS*.  trans-78.577.8174.5-169.4164.8-166.800109.4L147 E148 D153L147-E151 PolarHBondContact O-N 3.01Å; E148-E151 WeakPolarHBondContact O-CB 3.36Å; E148-E151 PolarHBondContact O-N 3.37Å; E151-D153 PolarHBondContact O-N 3.39Å
152I70.6Confident72.8Confident101 Ų101101.2 Ų101.252%0.51852%0.522SS..  trans-65.9119.5177.2-47.9174.9000108.2W150 I157W150-I152 PolarHBondContact O-N 2.75Å; I152-I157 HydrophobicContact CB-CD1 4.09Å; I152-I157 HydrophobicContact CB-CG1 4.13Å; I152-I157 HydrophobicContact CG2-CD1 4.07Å; I152-I157 HydrophobicContact CG2-CG1 3.53Å
153D78.2Confident72.7Confident80 Ų80105 Ų10543%0.42853%0.532SS..  trans-53.4122.4178.5-179.9-6.3000109.9E151 V155 E156 I157E151-D153 PolarHBondContact O-N 3.39Å; D153-V155 PolarHBondContact O-N 3.03Å; D153-V155 WeakPolarHBondContact OD1-CB 3.5Å; D153-V155 WeakPolarHBondContact OD1-CG2 3.22Å; D153-V155 PolarHBondContact OD1-N 3.32Å; D153-E156 HydrophobicContact CB-CB 4.32Å; D153-E156 HydrophobicContact CB-CG 4.09Å; D153-E156 PolarHBondContact O-N 3Å; D153-I157 PolarHBondContact O-N 3.23Å
154P70.7Confident72.5Confident86 Ų86102.2 Ų102.256%0.55854%0.535SS*.Hα-helixtrans-57.9-21.2177.224.3-35000113.1L158P154-L158 VanDerWaalsContact O-CB 3.31Å; P154-L158 WeakPolarHBondContact O-CB 3.42Å; P154-L158 WeakPolarHBondContact O-CD1 3.47Å; P154-L158 WeakPolarHBondContact O-CG 3.46Å; P154-L158 PolarHBondContact O-N 3.44Å
155V74.9Confident72.3Confident66 Ų66101.3 Ų101.340%0.454%0.535SS..Hα-helixtrans-72.2-40.3172.3-176.60000111.8D153 L158 L159D153-V155 PolarHBondContact O-N 3.03Å; D153-V155 WeakPolarHBondContact OD1-CB 3.5Å; D153-V155 WeakPolarHBondContact OD1-CG2 3.22Å; D153-V155 PolarHBondContact OD1-N 3.32Å; V155-L158 PolarHBondContact O-N 2.96Å; V155-L159 HydrophobicContact CG1-CD1 4.26Å; V155-L159 VanDerWaalsContact O-CG 3.28Å; V155-L159 WeakPolarHBondContact O-CG 3.45Å; V155-L159 PolarHBondContact O-N 3.1Å
156E78Confident72.4Confident87 Ų87105.5 Ų105.541%0.40756%0.56SS.*Hα-helixtrans-71-39.7175.3-62-91115.900109.9K109 D153 L158 L159 D160K109-E156 IonicContact NZ-OE1 3.42Å; K109-E156 PolarHBondContact NZ-OE1 3.18Å; D153-E156 HydrophobicContact CB-CB 4.32Å; D153-E156 HydrophobicContact CB-CG 4.09Å; D153-E156 PolarHBondContact O-N 3Å; E156-L158 VanDerWaalsContact C-N 3.31Å; E156-L158 PolarHBondContact O-N 2.85Å; E156-L159 PolarHBondContact O-N 2.96Å; E156-D160 PolarHBondContact O-N 3.45Å
157I79.2Confident72.3Confident70 Ų70108.9 Ų108.936%0.35958%0.58SS.*Hα-helixtrans-55.8-45.3170.5-59.5176.3000111.2I152 D153 D160 L161I152-I157 HydrophobicContact CB-CD1 4.09Å; I152-I157 HydrophobicContact CB-CG1 4.13Å; I152-I157 HydrophobicContact CG2-CD1 4.07Å; I152-I157 HydrophobicContact CG2-CG1 3.53Å; D153-I157 PolarHBondContact O-N 3.23Å; I157-D160 PolarHBondContact O-N 2.89Å; I157-L161 HydrophobicContact CG2-CD1 3.86Å; I157-L161 HydrophobicContact CG2-CG 4.41Å; I157-L161 WeakPolarHBondContact O-CB 3.48Å; I157-L161 VanDerWaalsContact O-CG 3.24Å; I157-L161 WeakPolarHBondContact O-CG 3.24Å; I157-L161 PolarHBondContact O-N 3.41Å
158L79.3Confident72.2Confident84 Ų84107.6 Ų107.644%0.4458%0.579SS.*Hα-helixtrans-65.6-40.2179.1-78.8168.1000111.9P154 V155 E156 L161 G162 F163P154-L158 VanDerWaalsContact O-CB 3.31Å; P154-L158 WeakPolarHBondContact O-CB 3.42Å; P154-L158 WeakPolarHBondContact O-CD1 3.47Å; P154-L158 WeakPolarHBondContact O-CG 3.46Å; P154-L158 PolarHBondContact O-N 3.44Å; V155-L158 PolarHBondContact O-N 2.96Å; E156-L158 VanDerWaalsContact C-N 3.31Å; E156-L158 PolarHBondContact O-N 2.85Å; L158-L161 CarbonylContact O-C 3.41Å; L158-L161 PolarHBondContact O-N 2.72Å; L158-G162 PolarHBondContact O-N 2.84Å; L158-F163 HydrophobicContact CB-CB 4.17Å; L158-F163 HydrophobicContact CD2-CB 4.11Å; L158-F163 HydrophobicContact CD2-CD2 3.76Å; L158-F163 HydrophobicContact CD2-CE2 4.36Å; L158-F163 HydrophobicContact CD2-CG 3.97Å; L158-F163 WeakPolarHBondContact O-CA 3.39Å; L158-F163 WeakPolarHBondContact O-CB 3.36Å; L158-F163 PolarHBondContact O-N 2.64Å
159L79.4Confident72Confident65 Ų65106.6 Ų106.634%0.3458%0.579SS.*Hα-helixtrans-65.2-42.8176.2-73.2167.9000112.3V155 E156 L161 G162V155-L159 HydrophobicContact CG1-CD1 4.26Å; V155-L159 VanDerWaalsContact O-CG 3.28Å; V155-L159 WeakPolarHBondContact O-CG 3.45Å; V155-L159 PolarHBondContact O-N 3.1Å; E156-L159 PolarHBondContact O-N 2.96Å; L159-L161 VanDerWaalsContact C-N 3.31Å; L159-L161 PolarHBondContact O-N 3.18Å; L159-G162 WeakPolarHBondContact O-CA 3.43Å; L159-G162 PolarHBondContact O-N 3.11Å
160D79.6Confident71.8Confident143 Ų143105.8 Ų105.877%0.76558%0.579SS**Hα-helixtrans-66.4-33176.2-75.6-14.1000112.1E156 I157 G162E156-D160 PolarHBondContact O-N 3.45Å; I157-D160 PolarHBondContact O-N 2.89Å; D160-G162 PolarHBondContact O-N 2.94Å
161L78.9Confident71.9Confident118 Ų118101.2 Ų101.262%0.61857%0.573SS**THydrogen-bonded Turntrans-76.54.8169.1-68.6174.3000113.5I157 L158 L159 F163I157-L161 HydrophobicContact CG2-CD1 3.86Å; I157-L161 HydrophobicContact CG2-CG 4.41Å; I157-L161 WeakPolarHBondContact O-CB 3.48Å; I157-L161 VanDerWaalsContact O-CG 3.24Å; I157-L161 WeakPolarHBondContact O-CG 3.24Å; I157-L161 PolarHBondContact O-N 3.41Å; L158-L161 CarbonylContact O-C 3.41Å; L158-L161 PolarHBondContact O-N 2.72Å; L159-L161 VanDerWaalsContact C-N 3.31Å; L159-L161 PolarHBondContact O-N 3.18Å; L161-F163 HydrophobicContact CB-CD2 3.76Å; L161-F163 HydrophobicContact CB-CE2 3.91Å
162G71.3Confident71.5Confident48 Ų48101.3 Ų101.350%0.49558%0.575SS.*THydrogen-bonded Turntrans82.81.9175.600000115.8L158 L159 D160 G164L158-G162 PolarHBondContact O-N 2.84Å; L159-G162 WeakPolarHBondContact O-CA 3.43Å; L159-G162 PolarHBondContact O-N 3.11Å; D160-G162 PolarHBondContact O-N 2.94Å; G162-G164 PolarHBondContact O-N 3.38Å
163F64.8Low71.4Confident134 Ų134103.8 Ų103.859%0.58858%0.584SS**THydrogen-bonded Turntrans-76.6122.4176.6-63.8-90.6000110.9L158 L161L158-F163 HydrophobicContact CB-CB 4.17Å; L158-F163 HydrophobicContact CD2-CB 4.11Å; L158-F163 HydrophobicContact CD2-CD2 3.76Å; L158-F163 HydrophobicContact CD2-CE2 4.36Å; L158-F163 HydrophobicContact CD2-CG 3.97Å; L158-F163 WeakPolarHBondContact O-CA 3.39Å; L158-F163 WeakPolarHBondContact O-CB 3.36Å; L158-F163 PolarHBondContact O-N 2.64Å; L161-F163 HydrophobicContact CB-CD2 3.76Å; L161-F163 HydrophobicContact CB-CE2 3.91Å
164G65.5Low71.1Confident73 Ų73103 Ų10375%0.75358%0.58SS**THydrogen-bonded Turntrans87.45.7178.700000114.8G162G162-G164 PolarHBondContact O-N 3.38Å
165A69.1Low71.5Confident69 Ų69101.5 Ų101.557%0.5757%0.57SS**SBendtrans-68.7146.5154.100000109.7E167A165-E167 PolarHBondContact O-N 2.82Å
166D70.7Confident71.1Confident163 Ų163102.1 Ų102.187%0.87258%0.582SS**PPolyproline II helixtrans-65.6121172.3-71.9-47.3000109.5
167E69.8Low70.9Confident177 Ų177106.1 Ų106.183%0.82759%0.593SS**PPolyproline II helixtrans-61.9125.2-179.3-171.5177-174.400109.9A165 D169A165-E167 PolarHBondContact O-N 2.82Å; E167-D169 PolarHBondContact O-N 3.48Å
168P66.8Low70.2Confident93 Ų93108.8 Ų108.860%0.60460%0.602SS**PPolyproline II helixtrans-66122.8-174.825.7-33.9000110.4I170P168-I170 PolarHBondContact O-N 3.36Å
169D65.3Low69.8Low121 Ų121110.2 Ų110.265%0.64761%0.61SS**  trans-41.3127.3-176.2-145.6-15000111.8E167 C171 M172E167-D169 PolarHBondContact O-N 3.48Å; D169-C171 PolarHBondContact O-N 3.14Å; D169-M172 HydrophobicContact CB-CG 4.42Å; D169-M172 WeakPolarHBondContact O-CB 3.16Å; D169-M172 PolarHBondContact O-N 3.17Å
170I65Low69.4Low115 Ų115110.4 Ų110.459%0.5963%0.627SS**Hα-helixtrans-55-30-168.3-51.5172.2000111.5P168 M172 Q173 I174P168-I170 PolarHBondContact O-N 3.36Å; I170-M172 VanDerWaalsContact C-N 3.26Å; I170-M172 PolarHBondContact O-N 2.77Å; I170-Q173 PolarHBondContact O-N 3.31Å; I170-Q173 VanDerWaalsContact O-N 3.17Å; I170-I174 HydrophobicContact CG2-CD1 4.3Å; I170-I174 WeakPolarHBondContact O-CG1 3.24Å; I170-I174 PolarHBondContact O-N 3.15Å; I170-I174 VanDerWaalsContact O-N 3.14Å
171C60Low69.1Low78 Ų78108 Ų10853%0.52762%0.621SS.*Hα-helixtrans-63.7-23.9176.1-61.10000114.5D169D169-C171 PolarHBondContact O-N 3.14Å
172M65.1Low68.6Low157 Ų157106.4 Ų106.477%0.77363%0.632SS**Hα-helixtrans-82.2-30.9173.7-64.5-61.3-64.500112.1D169 I170 I174D169-M172 HydrophobicContact CB-CG 4.42Å; D169-M172 WeakPolarHBondContact O-CB 3.16Å; D169-M172 PolarHBondContact O-N 3.17Å; I170-M172 VanDerWaalsContact C-N 3.26Å; I170-M172 PolarHBondContact O-N 2.77Å; M172-I174 VanDerWaalsContact C-N 3.32Å
173Q67.8Low68.5Low152 Ų152109.1 Ų109.171%0.7164%0.644SS**Hα-helixtrans-73.9-25.7175.5-159.1-17762.300111.9I170 P175I170-Q173 PolarHBondContact O-N 3.31Å; I170-Q173 VanDerWaalsContact O-N 3.17Å; Q173-P175 VanDerWaalsContact O-CD 3.27Å; Q173-P175 WeakPolarHBondContact O-CD 3.49Å
174I73.1Confident68.7Low64 Ų64107.6 Ų107.633%0.32866%0.656SS.*SBendtrans-77.4114.9173-65.7165.7000110I170 M172 A176 F178 L179I170-I174 HydrophobicContact CG2-CD1 4.3Å; I170-I174 WeakPolarHBondContact O-CG1 3.24Å; I170-I174 PolarHBondContact O-N 3.15Å; I170-I174 VanDerWaalsContact O-N 3.14Å; M172-I174 VanDerWaalsContact C-N 3.32Å; I174-A176 PolarHBondContact O-N 2.85Å; I174-F178 HydrophobicContact CG2-CB 3.87Å; I174-F178 HydrophobicContact CG2-CD2 4.24Å; I174-L179 HydrophobicContact CG2-CD2 4.26Å; I174-L179 HydrophobicContact CG2-CG 4.2Å
175P77.5Confident68.8Low55 Ų55107.8 Ų107.836%0.35765%0.651SS.*  trans-61.5131.6178.7-25.436.2000112Q173 R177 F178Q173-P175 VanDerWaalsContact O-CD 3.27Å; Q173-P175 WeakPolarHBondContact O-CD 3.49Å; P175-R177 HydrophobicContact CB-CG 4.22Å; P175-R177 PolarHBondContact O-N 3.17Å; P175-F178 HydrophobicContact CB-CD2 4.29Å; P175-F178 HydrophobicContact CB-CE2 4.44Å; P175-F178 HydrophobicContact CG-CD2 4.45Å; P175-F178 HydrophobicContact CG-CE2 4.31Å; P175-F178 WeakPolarHBondContact O-CD2 3.36Å; P175-F178 PolarHBondContact O-N 3.44Å
176A68.1Low68.7Low78 Ų78116.4 Ų116.465%0.64567%0.668SS**G310 helixtrans-51.3-22.8-169.900000116I174 F178 L179 G180I174-A176 PolarHBondContact O-N 2.85Å; A176-F178 PolarHBondContact O-N 3.12Å; A176-L179 PolarHBondContact O-N 3.42Å; A176-G180 PolarHBondContact O-N 2.84Å
177R72.4Confident68.9Low171 Ų171112 Ų11265%0.64566%0.661SS**G310 helixtrans-52-32.8170.668.5-173.3-177.9-115.53.1113.9P175P175-R177 HydrophobicContact CB-CG 4.22Å; P175-R177 PolarHBondContact O-N 3.17Å
178F65.4Low69.2Low126 Ų126110 Ų11055%0.55366%0.655SS**G310 helixtrans-82.3-18.5178.8-63-68.7000113.6I174 P175 A176I174-F178 HydrophobicContact CG2-CB 3.87Å; I174-F178 HydrophobicContact CG2-CD2 4.24Å; P175-F178 HydrophobicContact CB-CD2 4.29Å; P175-F178 HydrophobicContact CB-CE2 4.44Å; P175-F178 HydrophobicContact CG-CD2 4.45Å; P175-F178 HydrophobicContact CG-CE2 4.31Å; P175-F178 WeakPolarHBondContact O-CD2 3.36Å; P175-F178 PolarHBondContact O-N 3.44Å; A176-F178 PolarHBondContact O-N 3.12Å
179L71.4Confident69.9Low115 Ų115109.9 Ų109.960%0.60265%0.649SS**THydrogen-bonded Turntrans-92.6-26.4175.9-57.8177.4000111.8I174 A176I174-L179 HydrophobicContact CG2-CD2 4.26Å; I174-L179 HydrophobicContact CG2-CG 4.2Å; A176-L179 PolarHBondContact O-N 3.42Å
180G70.7Confident70.8Confident68 Ų68109.8 Ų109.870%0.70165%0.647SS**SBendtrans-82.1-12.5178.500000115.7A176A176-G180 PolarHBondContact O-N 2.84Å
181C71.8Confident71.6Confident94 Ų94113.8 Ų113.864%0.63566%0.655SS**SBendtrans-122.9129.7-178.8-65.50000111S183C181-S183 PolarHBondContact O-N 3.26Å
182G68.4Low72.9Confident83 Ų83114.1 Ų114.186%0.85666%0.655SS**  trans-64.9127.617400000111.2A184G182-A184 PolarHBondContact O-N 3.39Å
183S70.3Confident73.9Confident105 Ų105111.2 Ų111.273%0.73464%0.638SS**  trans-65.4127.5-177.8-175.40000112C181 A185C181-S183 PolarHBondContact O-N 3.26Å; S183-A185 VanDerWaalsContact C-N 3.3Å; S183-A185 WeakPolarHBondContact OG-CB 3.24Å; S183-A185 PolarHBondContact OG-N 3.36Å
184A67.9Low75Confident103 Ų103108.9 Ų108.985%0.85163%0.63SS**  trans-84.2-3.8171.400000113.1G182 R186G182-A184 PolarHBondContact O-N 3.39Å; A184-R186 PolarHBondContact O-N 3.1Å
185A68.4Low75.8Confident77 Ų77111.4 Ų111.464%0.63664%0.64SS**PPolyproline II helixtrans-68.4116.5-17700000111.2S183 G187S183-A185 VanDerWaalsContact C-N 3.3Å; S183-A185 WeakPolarHBondContact OG-CB 3.24Å; S183-A185 PolarHBondContact OG-N 3.36Å; A185-G187 PolarHBondContact O-N 2.89Å
186R67.1Low76.3Confident250 Ų250110.3 Ų110.394%0.94364%0.635SS**PPolyproline II helixtrans-65.2117.6161-73.3-175.1169.7-146.4-1.4107.8A184A184-R186 PolarHBondContact O-N 3.1Å
187G73.8Confident77.3Confident70 Ų70110.6 Ų110.672%0.72262%0.623SS**PPolyproline II helixtrans-59.2153.9-176.200000113.4A185 N189A185-G187 PolarHBondContact O-N 2.89Å; G187-N189 PolarHBondContact O-N 3.23Å
188I77.2Confident77.8Confident134 Ų134108.2 Ų108.269%0.68762%0.618SS**PPolyproline II helixtrans-55.2129.4-177.2-59.5172.2000110.4I190 F193I188-I190 PolarHBondContact O-N 3.14Å; I188-F193 HydrophobicContact CG2-CB 3.92Å; I188-F193 HydrophobicContact CG2-CG 4.46Å
189N82.1Confident78.5Confident91 Ų91107.6 Ų107.649%0.48762%0.616SS.*  trans-71.198.7170.3-175.7-8.8000109.4G187 R191 V192 F193G187-N189 PolarHBondContact O-N 3.23Å; N189-R191 PolarHBondContact O-N 2.85Å; N189-R191 PolarHBondContact OD1-N 2.89Å; N189-V192 HydrophobicContact CB-CB 4.42Å; N189-V192 HydrophobicContact CB-CG2 4.24Å; N189-V192 PolarHBondContact O-N 2.97Å; N189-V192 VanDerWaalsContact O-N 3.1Å; N189-F193 PolarHBondContact O-N 3.11Å
190I84Confident79Confident119 Ų119108.5 Ų108.561%0.6161%0.612SS**Hα-helixtrans-53.4-31.4-176-60.6172.2000112.1I188 L194I188-I190 PolarHBondContact O-N 3.14Å; I190-L194 HydrophobicContact CG2-CD1 3.74Å; I190-L194 HydrophobicContact CG2-CG 4.12Å; I190-L194 WeakPolarHBondContact O-CB 3.3Å; I190-L194 VanDerWaalsContact O-CG 3.26Å; I190-L194 WeakPolarHBondContact O-CG 3.44Å; I190-L194 PolarHBondContact O-N 3.09Å
191R82.3Confident79.5Confident200 Ų200110.7 Ų110.776%0.75561%0.605SS**Hα-helixtrans-63.7-54.1178-55.9-178.3-165.9-90.70.8111N189 F193 L194 E195N189-R191 PolarHBondContact O-N 2.85Å; N189-R191 PolarHBondContact OD1-N 2.89Å; R191-F193 VanDerWaalsContact C-N 3.3Å; R191-F193 PolarHBondContact O-N 3.46Å; R191-L194 PolarHBondContact O-N 2.95Å; R191-E195 WeakPolarHBondContact O-CB 3.2Å; R191-E195 PolarHBondContact O-N 2.95Å
192V85.6Confident79.6Confident85 Ų85110.3 Ų110.352%0.51560%0.597SS.*Hα-helixtrans-62.3-38.7179.2-1800000110.8N189 E195 A196N189-V192 HydrophobicContact CB-CB 4.42Å; N189-V192 HydrophobicContact CB-CG2 4.24Å; N189-V192 PolarHBondContact O-N 2.97Å; N189-V192 VanDerWaalsContact O-N 3.1Å; V192-E195 PolarHBondContact O-N 3.35Å; V192-A196 VanDerWaalsContact O-CB 3.29Å; V192-A196 WeakPolarHBondContact O-CB 3.25Å; V192-A196 PolarHBondContact O-N 3.44Å
193F87.7Confident79.9Confident96 Ų96112.9 Ų112.942%0.42159%0.59SS.*Hα-helixtrans-62.5-47.7174.7174.8-96.2000112.6I188 N189 R191 E195 A196 Q197I188-F193 HydrophobicContact CG2-CB 3.92Å; I188-F193 HydrophobicContact CG2-CG 4.46Å; N189-F193 PolarHBondContact O-N 3.11Å; R191-F193 VanDerWaalsContact C-N 3.3Å; R191-F193 PolarHBondContact O-N 3.46Å; F193-E195 VanDerWaalsContact C-N 3.35Å; F193-A196 PolarHBondContact O-N 2.95Å; F193-Q197 HydrophobicContact CD1-CG 4.25Å; F193-Q197 HydrophobicContact CE1-CG 3.84Å; F193-Q197 HydrophobicContact CE2-CG 4.2Å; F193-Q197 HydrophobicContact CZ-CG 3.81Å; F193-Q197 WeakPolarHBondContact O-CB 3.25Å; F193-Q197 VanDerWaalsContact O-CG 3.24Å; F193-Q197 WeakPolarHBondContact O-CG 3.45Å; F193-Q197 PolarHBondContact O-N 3.41Å
194L91.1Very high80.2Confident103 Ų103115.8 Ų115.854%0.53959%0.592SS.*Hα-helixtrans-68.2-34179.3-71174.4000112.4I190 R191 Q197 K198I190-L194 HydrophobicContact CG2-CD1 3.74Å; I190-L194 HydrophobicContact CG2-CG 4.12Å; I190-L194 WeakPolarHBondContact O-CB 3.3Å; I190-L194 VanDerWaalsContact O-CG 3.26Å; I190-L194 WeakPolarHBondContact O-CG 3.44Å; I190-L194 PolarHBondContact O-N 3.09Å; R191-L194 PolarHBondContact O-N 2.95Å; L194-Q197 PolarHBondContact O-N 3.48Å; L194-K198 WeakPolarHBondContact O-CB 3.35Å; L194-K198 PolarHBondContact O-N 2.94Å
195E88.8Confident80.2Confident117 Ų117115.6 Ų115.655%0.54758%0.576SS.*Hα-helixtrans-67.6-46.7175.7-171.2157.3-143.700111.4R191 V192 F193 Q197 K198 Q199R191-E195 WeakPolarHBondContact O-CB 3.2Å; R191-E195 PolarHBondContact O-N 2.95Å; V192-E195 PolarHBondContact O-N 3.35Å; F193-E195 VanDerWaalsContact C-N 3.35Å; E195-Q197 VanDerWaalsContact C-N 3.29Å; E195-Q197 PolarHBondContact O-N 3.27Å; E195-K198 PolarHBondContact O-N 2.66Å; E195-Q199 WeakPolarHBondContact O-CG 3.21Å; E195-Q199 PolarHBondContact O-N 3.34Å
196A88.9Confident80.1Confident31 Ų31115.4 Ų115.426%0.25657%0.568SS.*Hα-helixtrans-70.1-20.917400000113.9V192 F193 R200V192-A196 VanDerWaalsContact O-CB 3.29Å; V192-A196 WeakPolarHBondContact O-CB 3.25Å; V192-A196 PolarHBondContact O-N 3.44Å; F193-A196 PolarHBondContact O-N 2.95Å; A196-R200 PolarHBondContact O-N 2.92Å; A196-R200 PolarHBondContact O-NE 3.01Å; A196-R200 PolarHBondContact O-NH2 3.17Å
197Q87.4Confident80Confident85 Ų85109 Ų10940%0.39755%0.553SS.*Hα-helixtrans-74.3-46.3168-81.2-75.1-16.100110.7F193 L194 E195 R200 M201F193-Q197 HydrophobicContact CD1-CG 4.25Å; F193-Q197 HydrophobicContact CE1-CG 3.84Å; F193-Q197 HydrophobicContact CE2-CG 4.2Å; F193-Q197 HydrophobicContact CZ-CG 3.81Å; F193-Q197 WeakPolarHBondContact O-CB 3.25Å; F193-Q197 VanDerWaalsContact O-CG 3.24Å; F193-Q197 WeakPolarHBondContact O-CG 3.45Å; F193-Q197 PolarHBondContact O-N 3.41Å; L194-Q197 PolarHBondContact O-N 3.48Å; E195-Q197 VanDerWaalsContact C-N 3.29Å; E195-Q197 PolarHBondContact O-N 3.27Å; Q197-R200 PolarHBondContact O-N 2.81Å; Q197-M201 PolarHBondContact O-N 2.94Å
198K83.4Confident79.5Confident120 Ų120109.4 Ų109.452%0.52254%0.538SS..Hα-helixtrans-60.1-48.4177.1-168-151.6170.8-138.70111.5L194 E195 R200 M201 D202L194-K198 WeakPolarHBondContact O-CB 3.35Å; L194-K198 PolarHBondContact O-N 2.94Å; E195-K198 PolarHBondContact O-N 2.66Å; K198-R200 VanDerWaalsContact C-N 3.31Å; K198-R200 PolarHBondContact O-N 3.22Å; K198-M201 PolarHBondContact O-N 2.99Å; K198-M201 VanDerWaalsContact O-N 3.15Å; K198-D202 WeakPolarHBondContact CE-OD2 3.47Å; K198-D202 IonicContact NZ-OD2 2.73Å; K198-D202 PolarHBondContact NZ-OD2 2.92Å; K198-D202 VanDerWaalsContact NZ-OD2 3.12Å; K198-D202 WeakPolarHBondContact O-CB 3.43Å; K198-D202 PolarHBondContact O-N 3.06Å
199Q81.1Confident78.9Confident113 Ų113109.2 Ų109.253%0.52853%0.53SS..Hα-helixtrans-57.3-42.9177.5-74.4174-18.900112.2E195 D202 I203E195-Q199 WeakPolarHBondContact O-CG 3.21Å; E195-Q199 PolarHBondContact O-N 3.34Å; Q199-D202 PolarHBondContact O-N 3.2Å; Q199-I203 WeakPolarHBondContact O-CD1 3.46Å; Q199-I203 VanDerWaalsContact O-CG1 3.23Å; Q199-I203 WeakPolarHBondContact O-CG1 3.45Å; Q199-I203 PolarHBondContact O-N 2.89Å
200R82.3Confident78.2Confident134 Ų134106.6 Ų106.651%0.50652%0.524SS..Hα-helixtrans-62.8-45.5174.4-86.9176.5-76.1-178.2-8.5112.3A196 Q197 K198 D202 I203 E204A196-R200 PolarHBondContact O-N 2.92Å; A196-R200 PolarHBondContact O-NE 3.01Å; A196-R200 PolarHBondContact O-NH2 3.17Å; Q197-R200 PolarHBondContact O-N 2.81Å; K198-R200 VanDerWaalsContact C-N 3.31Å; K198-R200 PolarHBondContact O-N 3.22Å; R200-D202 VanDerWaalsContact C-N 3.34Å; R200-D202 PolarHBondContact O-N 3.38Å; R200-I203 PolarHBondContact O-N 2.91Å; R200-E204 WeakPolarHBondContact O-CB 3.48Å; R200-E204 PolarHBondContact O-N 3.24Å
201M79.6Confident77.4Confident115 Ų115107.4 Ų107.457%0.56752%0.52SS*.Hα-helixtrans-62.6-38176.4-177174.658.800112.9Q197 K198 I203 N205Q197-M201 PolarHBondContact O-N 2.94Å; K198-M201 PolarHBondContact O-N 2.99Å; K198-M201 VanDerWaalsContact O-N 3.15Å; M201-I203 VanDerWaalsContact C-N 3.32Å; M201-N205 WeakPolarHBondContact O-CB 3.45Å; M201-N205 PolarHBondContact O-N 3.07Å
202D73.7Confident76.6Confident86 Ų86104.1 Ų104.146%0.4651%0.511SS..Hα-helixtrans-67.8-30176.7-70.9-22.9000111.8K198 Q199 R200K198-D202 WeakPolarHBondContact CE-OD2 3.47Å; K198-D202 IonicContact NZ-OD2 2.73Å; K198-D202 PolarHBondContact NZ-OD2 2.92Å; K198-D202 VanDerWaalsContact NZ-OD2 3.12Å; K198-D202 WeakPolarHBondContact O-CB 3.43Å; K198-D202 PolarHBondContact O-N 3.06Å; Q199-D202 PolarHBondContact O-N 3.2Å; R200-D202 VanDerWaalsContact C-N 3.34Å; R200-D202 PolarHBondContact O-N 3.38Å
203I75.7Confident76Confident136 Ų136106 Ų10670%0.69751%0.509SS*.Hα-helixtrans-82.5-46.2176-68.1163.9000112Q199 R200 M201 N205Q199-I203 WeakPolarHBondContact O-CD1 3.46Å; Q199-I203 VanDerWaalsContact O-CG1 3.23Å; Q199-I203 WeakPolarHBondContact O-CG1 3.45Å; Q199-I203 PolarHBondContact O-N 2.89Å; R200-I203 PolarHBondContact O-N 2.91Å; M201-I203 VanDerWaalsContact C-N 3.32Å; I203-N205 VanDerWaalsContact C-N 3.35Å
204E76.9Confident75.5Confident166 Ų166107.8 Ų107.878%0.77652%0.519SS*.Hα-helixtrans-71.4-29-176.2-172.5-179.617000112.2R200 P206R200-E204 WeakPolarHBondContact O-CB 3.48Å; R200-E204 PolarHBondContact O-N 3.24Å; E204-P206 WeakPolarHBondContact O-CD 3.46Å
205N66.6Low75Confident99 Ų99107.9 Ų107.953%0.52952%0.519SS..SBendtrans-115.667.4179.1-158.5-20.8000111.9M201 I203 N207M201-N205 WeakPolarHBondContact O-CB 3.45Å; M201-N205 PolarHBondContact O-N 3.07Å; I203-N205 VanDerWaalsContact C-N 3.35Å; N205-N207 PolarHBondContact O-N 3.21Å
206P66.4Low74.7Confident73 Ų73107.7 Ų107.747%0.47452%0.518SS..  trans-61.3112.6-176.125.1-34000110.4E204 L208E204-P206 WeakPolarHBondContact O-CD 3.46Å; P206-L208 PolarHBondContact O-N 3.24Å; P206-L208 VanDerWaalsContact O-N 3.12Å
207N64.8Low74.6Confident116 Ų116111.5 Ų111.562%0.6253%0.533SS*.  trans-43.7108.8-156.4-174.9-2.6000114.2N205 Y209 G210N205-N207 PolarHBondContact O-N 3.21Å; N207-Y209 PolarHBondContact O-N 3.32Å; N207-Y209 WeakPolarHBondContact OD1-CB 3.14Å; N207-Y209 PolarHBondContact OD1-N 3.02Å; N207-G210 PolarHBondContact O-N 3.3Å
208L63.6Low74.6Confident79 Ų79112.2 Ų112.241%0.41454%0.539SS..Hα-helixtrans-55.1-27.4-179.3-58.3-177.3000113.2P206 G210 R211 F212P206-L208 PolarHBondContact O-N 3.24Å; P206-L208 VanDerWaalsContact O-N 3.12Å; L208-G210 PolarHBondContact O-N 3.36Å; L208-R211 PolarHBondContact O-N 3.43Å; L208-F212 HydrophobicContact CB-CD2 4.07Å; L208-F212 HydrophobicContact CB-CE2 3.91Å; L208-F212 WeakPolarHBondContact O-CD2 3.42Å; L208-F212 PolarHBondContact O-N 3.16Å
209Y65.1Low74.8Confident130 Ų130110.2 Ų110.251%0.5153%0.534SS..Hα-helixtrans-56-32.7175.2-175.7-117.5000113N207 F212 R213N207-Y209 PolarHBondContact O-N 3.32Å; N207-Y209 WeakPolarHBondContact OD1-CB 3.14Å; N207-Y209 PolarHBondContact OD1-N 3.02Å; Y209-F212 PolarHBondContact O-N 3.01Å; Y209-R213 HydrophobicContact CD2-CG 4.45Å; Y209-R213 HydrophobicContact CE1-CG 4.39Å; Y209-R213 VanDerWaalsContact CE1-CZ 3.44Å; Y209-R213 VanDerWaalsContact CE1-NH1 3.31Å; Y209-R213 HydrophobicContact CE2-CG 4.09Å; Y209-R213 WeakPolarHBondContact O-CG 3.27Å; Y209-R213 PolarHBondContact O-N 2.93Å; Y209-R213 PolarHBondContact OH-NH1 3.21Å
210G67.2Low74.9Confident36 Ų36110.7 Ų110.737%0.37154%0.536SS..Hα-helixtrans-62.5-45.9173.400000112.3N207 L208 R213 Q214N207-G210 PolarHBondContact O-N 3.3Å; L208-G210 PolarHBondContact O-N 3.36Å; G210-R213 PolarHBondContact O-N 3.16Å; G210-Q214 VanDerWaalsContact O-CG 3.32Å; G210-Q214 WeakPolarHBondContact O-CG 3.42Å; G210-Q214 PolarHBondContact O-N 3.32Å
211R66.6Low75.3Confident135 Ų135107.5 Ų107.551%0.50953%0.531SS..Hα-helixtrans-68.9-37.5176.7-72.2-173.8-88-167.6-7112.2L208 Q214 L215L208-R211 PolarHBondContact O-N 3.43Å; R211-Q214 WeakPolarHBondContact O-CB 3.34Å; R211-Q214 PolarHBondContact O-N 3.27Å; R211-L215 PolarHBondContact O-N 2.91Å
212F65.8Low75.6Confident131 Ų131105.2 Ų105.258%0.57552%0.524SS*.Hα-helixtrans-67.1-39.3174.8-74.4-62000112.8L208 Y209 L215 E216L208-F212 HydrophobicContact CB-CD2 4.07Å; L208-F212 HydrophobicContact CB-CE2 3.91Å; L208-F212 WeakPolarHBondContact O-CD2 3.42Å; L208-F212 PolarHBondContact O-N 3.16Å; Y209-F212 PolarHBondContact O-N 3.01Å; F212-L215 HydrophobicContact CD1-CD1 4.35Å; F212-L215 WeakPolarHBondContact O-CB 3.35Å; F212-L215 PolarHBondContact O-N 3.42Å; F212-E216 WeakPolarHBondContact O-CB 3.37Å; F212-E216 PolarHBondContact O-N 2.92Å
213R73.3Confident76.1Confident124 Ų124105.3 Ų105.347%0.46852%0.524SS..Hα-helixtrans-68.2-32.8172.2-70.4-152.5-61.4-152.97.7113.1Y209 G210 L215 E216 I217Y209-R213 HydrophobicContact CD2-CG 4.45Å; Y209-R213 HydrophobicContact CE1-CG 4.39Å; Y209-R213 VanDerWaalsContact CE1-CZ 3.44Å; Y209-R213 VanDerWaalsContact CE1-NH1 3.31Å; Y209-R213 HydrophobicContact CE2-CG 4.09Å; Y209-R213 WeakPolarHBondContact O-CG 3.27Å; Y209-R213 PolarHBondContact O-N 2.93Å; Y209-R213 PolarHBondContact OH-NH1 3.21Å; G210-R213 PolarHBondContact O-N 3.16Å; R213-L215 VanDerWaalsContact C-N 3.34Å; R213-E216 PolarHBondContact O-N 2.92Å; R213-I217 WeakPolarHBondContact O-CB 3.45Å; R213-I217 WeakPolarHBondContact O-CD1 3.38Å; R213-I217 WeakPolarHBondContact O-CG1 3.23Å; R213-I217 PolarHBondContact O-N 3.42Å
214Q77.3Confident76.5Confident134 Ų134101.4 Ų101.463%0.62651%0.512SS*.Hα-helixtrans-62.4-40.9170.6-73.7166.8-18.900111.7G210 R211 L218G210-Q214 VanDerWaalsContact O-CG 3.32Å; G210-Q214 WeakPolarHBondContact O-CG 3.42Å; G210-Q214 PolarHBondContact O-N 3.32Å; R211-Q214 WeakPolarHBondContact O-CB 3.34Å; R211-Q214 PolarHBondContact O-N 3.27Å; Q214-L218 VanDerWaalsContact O-CB 3.3Å; Q214-L218 WeakPolarHBondContact O-CB 3.38Å; Q214-L218 PolarHBondContact O-N 2.83Å
215L81.8Confident76.7Confident105 Ų10599.9 Ų99.955%0.5550%0.504SS..Hα-helixtrans-65.9-42.4173.6-83.9158.3000113R211 F212 R213 L218 D219R211-L215 PolarHBondContact O-N 2.91Å; F212-L215 HydrophobicContact CD1-CD1 4.35Å; F212-L215 WeakPolarHBondContact O-CB 3.35Å; F212-L215 PolarHBondContact O-N 3.42Å; R213-L215 VanDerWaalsContact C-N 3.34Å; L215-L218 PolarHBondContact O-N 3.37Å; L215-D219 PolarHBondContact O-N 2.96Å
216E81.8Confident77.3Confident113 Ų11398.3 Ų98.353%0.52850%0.5SS..Hα-helixtrans-63.6-42.4177.1-174.7175.6-144.600112F212 R213 D219 H220F212-E216 WeakPolarHBondContact O-CB 3.37Å; F212-E216 PolarHBondContact O-N 2.92Å; R213-E216 PolarHBondContact O-N 2.92Å; E216-D219 PolarHBondContact O-N 2.72Å; E216-H220 PolarHBondContact O-N 2.73Å; E216-H220 PolarHBondContact O-ND1 2.68Å
217I85.4Confident77.9Confident111 Ų11198 Ų9857%0.56950%0.5SS*.Hα-helixtrans-63.9-42.3172.8-68.6164.4000110.7R213 H220 V221R213-I217 WeakPolarHBondContact O-CB 3.45Å; R213-I217 WeakPolarHBondContact O-CD1 3.38Å; R213-I217 WeakPolarHBondContact O-CG1 3.23Å; R213-I217 PolarHBondContact O-N 3.42Å; I217-H220 PolarHBondContact O-N 2.73Å; I217-V221 WeakPolarHBondContact O-CB 3.44Å; I217-V221 VanDerWaalsContact O-CG2 3.3Å; I217-V221 WeakPolarHBondContact O-CG2 3.06Å; I217-V221 PolarHBondContact O-N 2.8Å
218L88.6Confident78.4Confident101 Ų10197.4 Ų97.453%0.52950%0.496SS..Hα-helixtrans-66.5-38.6178.8-176.861.5000112.4Q214 L215 T222Q214-L218 VanDerWaalsContact O-CB 3.3Å; Q214-L218 WeakPolarHBondContact O-CB 3.38Å; Q214-L218 PolarHBondContact O-N 2.83Å; L215-L218 PolarHBondContact O-N 3.37Å; L218-T222 VanDerWaalsContact O-CB 3.27Å; L218-T222 WeakPolarHBondContact O-CB 3.27Å; L218-T222 PolarHBondContact O-N 2.91Å; L218-T222 PolarHBondContact O-OG1 2.78Å
219D87.1Confident78.7Confident77 Ų77100 Ų10041%0.41251%0.51SS..Hα-helixtrans-57.8-53.3170.2166.588.4000110.7L215 E216 V221 T222 N223L215-D219 PolarHBondContact O-N 2.96Å; E216-D219 PolarHBondContact O-N 2.72Å; D219-V221 VanDerWaalsContact C-N 3.29Å; D219-V221 PolarHBondContact O-N 3.18Å; D219-T222 CarbonylContact O-C 3.58Å; D219-T222 PolarHBondContact O-N 3.22Å; D219-N223 WeakPolarHBondContact O-CB 3.49Å; D219-N223 PolarHBondContact O-N 2.94Å; D219-N223 PolarHBondContact O-ND2 3.17Å; D219-N223 PolarHBondContact OD1-ND2 3.5Å; D219-N223 PolarHBondContact OD2-ND2 2.94Å
220H84.2Confident78.8Confident124 Ų12496.3 Ų96.357%0.57450%0.503SS*.Hα-helixtrans-61.1-38.4-177.7-79.422.5000112.4E216 I217 A224E216-H220 PolarHBondContact O-N 2.73Å; E216-H220 PolarHBondContact O-ND1 2.68Å; I217-H220 PolarHBondContact O-N 2.73Å; H220-A224 WeakPolarHBondContact O-CB 3.46Å; H220-A224 PolarHBondContact O-N 2.91Å
221V90.1Very high78.5Confident66 Ų66100 Ų10040%0.451%0.514SS..Hα-helixtrans-65.6-44.1172.9169.30000111.2I217 D219 A224 F225I217-V221 WeakPolarHBondContact O-CB 3.44Å; I217-V221 VanDerWaalsContact O-CG2 3.3Å; I217-V221 WeakPolarHBondContact O-CG2 3.06Å; I217-V221 PolarHBondContact O-N 2.8Å; D219-V221 VanDerWaalsContact C-N 3.29Å; D219-V221 PolarHBondContact O-N 3.18Å; V221-A224 PolarHBondContact O-N 3.1Å; V221-F225 HydrophobicContact CG1-CD2 3.66Å; V221-F225 HydrophobicContact CG1-CE2 3.5Å; V221-F225 VanDerWaalsContact O-CD2 3.22Å; V221-F225 WeakPolarHBondContact O-CD2 3.41Å; V221-F225 PolarHBondContact O-N 3.42Å
222T85.3Confident78.4Confident68 Ų6898.3 Ų98.342%0.41752%0.519SS..Hα-helixtrans-66.5-39.2179.6-57.60000112L218 D219 F225 S226L218-T222 VanDerWaalsContact O-CB 3.27Å; L218-T222 WeakPolarHBondContact O-CB 3.27Å; L218-T222 PolarHBondContact O-N 2.91Å; L218-T222 PolarHBondContact O-OG1 2.78Å; D219-T222 CarbonylContact O-C 3.58Å; D219-T222 PolarHBondContact O-N 3.22Å; T222-F225 PolarHBondContact O-N 3.29Å; T222-S226 WeakPolarHBondContact O-CB 3.05Å; T222-S226 PolarHBondContact O-N 3.4Å; T222-S226 PolarHBondContact O-OG 3.06Å
223N85.1Confident77.9Confident87 Ų8795.1 Ų95.147%0.46551%0.513SS..Hα-helixtrans-69-38.1175.2-75.6-40.9000111.7D219 S226 S227D219-N223 WeakPolarHBondContact O-CB 3.49Å; D219-N223 PolarHBondContact O-N 2.94Å; D219-N223 PolarHBondContact O-ND2 3.17Å; D219-N223 PolarHBondContact OD1-ND2 3.5Å; D219-N223 PolarHBondContact OD2-ND2 2.94Å; N223-S226 PolarHBondContact O-N 3.45Å; N223-S227 PolarHBondContact O-N 3.25Å
224A82.6Confident77.1Confident54 Ų5493.3 Ų93.345%0.44651%0.511SS..Hα-helixtrans-63.7-44.617200000112.2H220 V221 S227 L228H220-A224 WeakPolarHBondContact O-CB 3.46Å; H220-A224 PolarHBondContact O-N 2.91Å; V221-A224 PolarHBondContact O-N 3.1Å; A224-S227 PolarHBondContact O-N 3.5Å; A224-L228 WeakPolarHBondContact O-CG 3.32Å; A224-L228 PolarHBondContact O-N 3.31Å
225F82.5Confident76Confident134 Ų13493.4 Ų93.459%0.58852%0.515SS*.Hα-helixtrans-63.8-38.9173.5-80.1-59.1000112.5V221 T222 L228 L229V221-F225 HydrophobicContact CG1-CD2 3.66Å; V221-F225 HydrophobicContact CG1-CE2 3.5Å; V221-F225 VanDerWaalsContact O-CD2 3.22Å; V221-F225 WeakPolarHBondContact O-CD2 3.41Å; V221-F225 PolarHBondContact O-N 3.42Å; T222-F225 PolarHBondContact O-N 3.29Å; F225-L228 HydrophobicContact CD1-CD1 4.39Å; F225-L228 PolarHBondContact O-N 2.96Å; F225-L229 WeakPolarHBondContact O-CB 3.41Å; F225-L229 PolarHBondContact O-N 3.11Å
226S78.6Confident74.5Confident66 Ų6692.3 Ų92.346%0.46252%0.515SS..Hα-helixtrans-65.4-39176.5-60.30000112T222 N223 L229 S230T222-S226 WeakPolarHBondContact O-CB 3.05Å; T222-S226 PolarHBondContact O-N 3.4Å; T222-S226 PolarHBondContact O-OG 3.06Å; N223-S226 PolarHBondContact O-N 3.45Å; S226-L229 PolarHBondContact O-N 3.49Å; S226-S230 WeakPolarHBondContact O-CB 3.49Å; S226-S230 PolarHBondContact O-N 2.93Å; S226-S230 PolarHBondContact O-OG 3.33Å
227S78.7Confident73.1Confident67 Ų6793 Ų9347%0.46952%0.522SS..Hα-helixtrans-61.8-43.3171.7-169.20000111.4N223 A224 S230 D231N223-S227 PolarHBondContact O-N 3.25Å; A224-S227 PolarHBondContact O-N 3.5Å; S227-S230 PolarHBondContact O-N 2.93Å; S227-S230 PolarHBondContact O-OG 3.3Å; S227-D231 PolarHBondContact O-N 3.45Å
228L76.1Confident71.5Confident103 Ų10397.7 Ų97.754%0.53953%0.533SS..Hα-helixtrans-65.2-42.1176.7-75163.3000112.4A224 F225 S230 D231 V232A224-L228 WeakPolarHBondContact O-CG 3.32Å; A224-L228 PolarHBondContact O-N 3.31Å; F225-L228 HydrophobicContact CD1-CD1 4.39Å; F225-L228 PolarHBondContact O-N 2.96Å; L228-S230 VanDerWaalsContact C-N 3.33Å; L228-S230 PolarHBondContact O-N 3.1Å; L228-D231 PolarHBondContact O-N 2.92Å; L228-V232 VanDerWaalsContact O-CG2 3.31Å; L228-V232 WeakPolarHBondContact O-CG2 3.34Å; L228-V232 PolarHBondContact O-N 3.27Å
229L70.4Confident69.7Low135 Ų13596.9 Ų96.971%0.70754%0.541SS*.Hα-helixtrans-66.2-35.9177.8-135.479.2000111.8F225 S226 V232 S233F225-L229 WeakPolarHBondContact O-CB 3.41Å; F225-L229 PolarHBondContact O-N 3.11Å; S226-L229 PolarHBondContact O-N 3.49Å; L229-V232 PolarHBondContact O-N 3.04Å; L229-S233 WeakPolarHBondContact O-CB 3.49Å; L229-S233 PolarHBondContact O-N 3.37Å; L229-S233 PolarHBondContact O-OG 2.95Å
230S65.3Low68Low52 Ų52101.7 Ų101.736%0.36456%0.561SS.*Hα-helixtrans-72.5-41176.470.60000113.1S226 S227 L228 V232 S233 I234S226-S230 WeakPolarHBondContact O-CB 3.49Å; S226-S230 PolarHBondContact O-N 2.93Å; S226-S230 PolarHBondContact O-OG 3.33Å; S227-S230 PolarHBondContact O-N 2.93Å; S227-S230 PolarHBondContact O-OG 3.3Å; L228-S230 VanDerWaalsContact C-N 3.33Å; L228-S230 PolarHBondContact O-N 3.1Å; S230-V232 VanDerWaalsContact C-N 3.25Å; S230-V232 PolarHBondContact O-N 3.25Å; S230-S233 PolarHBondContact O-N 3.31Å; S230-S233 PolarHBondContact O-OG 2.93Å; S230-I234 WeakPolarHBondContact O-CD1 3.36Å; S230-I234 VanDerWaalsContact O-CG1 3.23Å; S230-I234 WeakPolarHBondContact O-CG1 3.34Å; S230-I234 PolarHBondContact O-N 3.49Å
231D62.4Low66.4Low113 Ų113104 Ų10460%0.60457%0.571SS**Hα-helixtrans-59.7-37.8171.6-96.6-13.7000111.3S227 L228S227-D231 PolarHBondContact O-N 3.45Å; L228-D231 PolarHBondContact O-N 2.92Å
232V63.6Low64.3Low99 Ų99110.4 Ų110.460%0.659%0.594SS**Hα-helixtrans-71.8-40.8175.5171.70000112L228 L229 S230 I234 L235 P236L228-V232 VanDerWaalsContact O-CG2 3.31Å; L228-V232 WeakPolarHBondContact O-CG2 3.34Å; L228-V232 PolarHBondContact O-N 3.27Å; L229-V232 PolarHBondContact O-N 3.04Å; S230-V232 VanDerWaalsContact C-N 3.25Å; S230-V232 PolarHBondContact O-N 3.25Å; V232-I234 VanDerWaalsContact C-N 3.29Å; V232-I234 PolarHBondContact O-N 2.84Å; V232-L235 WeakPolarHBondContact O-CB 3.43Å; V232-L235 PolarHBondContact O-N 3.45Å; V232-L235 VanDerWaalsContact O-N 3.13Å; V232-P236 WeakPolarHBondContact O-CD 3.39Å
233S56.3Low62.5Low65 Ų65112.3 Ų112.346%0.45562%0.617SS.*Hα-helixtrans-73.9-16.9-179.774.10000114.1L229 S230 L235 N237L229-S233 WeakPolarHBondContact O-CB 3.49Å; L229-S233 PolarHBondContact O-N 3.37Å; L229-S233 PolarHBondContact O-OG 2.95Å; S230-S233 PolarHBondContact O-N 3.31Å; S230-S233 PolarHBondContact O-OG 2.93Å; S233-L235 VanDerWaalsContact C-N 3.31Å; S233-N237 PolarHBondContact O-ND2 2.97Å
234I55.5Low60.3Low85 Ų85112 Ų11244%0.43663%0.634SS.*THydrogen-bonded Turntrans-75.6-18.8169.9-70.3164.7000112S230 V232S230-I234 WeakPolarHBondContact O-CD1 3.36Å; S230-I234 VanDerWaalsContact O-CG1 3.23Å; S230-I234 WeakPolarHBondContact O-CG1 3.34Å; S230-I234 PolarHBondContact O-N 3.49Å; V232-I234 VanDerWaalsContact C-N 3.29Å; V232-I234 PolarHBondContact O-N 2.84Å
235L55Low57.9Low136 Ų136113.5 Ų113.571%0.71265%0.654SS**THydrogen-bonded Turntrans-74.6-44-175.7-165.268000114.4V232 S233V232-L235 WeakPolarHBondContact O-CB 3.43Å; V232-L235 PolarHBondContact O-N 3.45Å; V232-L235 VanDerWaalsContact O-N 3.13Å; S233-L235 VanDerWaalsContact C-N 3.31Å
236P50.8Low56Low83 Ų83116.3 Ų116.354%0.53967%0.67SS.*G310 helixtrans-61.1-44.9173.2-23.833.2000112.6V232 R238 A239V232-P236 WeakPolarHBondContact O-CD 3.39Å; P236-R238 PolarHBondContact O-N 2.85Å; P236-A239 WeakPolarHBondContact O-CB 3.4Å; P236-A239 PolarHBondContact O-N 2.93Å
237N51.2Low53.8Low128 Ų128118.6 Ų118.668%0.68469%0.686SS**G310 helixtrans-71.76.5-172.4-65.6-47.6000114.5S233S233-N237 PolarHBondContact O-ND2 2.97Å
238R52.1Low51.8Low209 Ų209121.6 Ų121.679%0.78970%0.701SS**G310 helixtrans-115.68.5171.8-70.2-177.3176.3-107.9-0.6113.5P236P236-R238 PolarHBondContact O-N 2.85Å
239A50.7Low50.1Low84 Ų84123.5 Ų123.569%0.69471%0.707SS**SBendtrans-90.6-30.5177.800000114P236P236-A239 WeakPolarHBondContact O-CB 3.4Å; P236-A239 PolarHBondContact O-N 2.93Å
240E51Low48.6Very low178 Ų178126.9 Ų126.983%0.83271%0.71SS**SBendtrans-89.5-33.2-173.2-62-167.9128.200113.8K242E240-K242 VanDerWaalsContact C-N 3.33Å; E240-K242 PolarHBondContact O-N 2.85Å
241E51.6Low47.4Very low171 Ų171131 Ų13180%0.79973%0.733SS**SBendtrans-83.266.4-178.7-163.8-164.1-141.500112.9
242K46.3Very low46.2Very low202 Ų202130.1 Ų130.188%0.87874%0.736SS**  trans-168.466.7147.4-82-136.4-178.9-74.30112.8E240E240-K242 VanDerWaalsContact C-N 3.33Å; E240-K242 PolarHBondContact O-N 2.85Å
243A46.6Very low45.4Very low108 Ų108131.6 Ų131.689%0.89375%0.745SS**  trans-97.2108.5161.400000110.4
244G38.5Very low45.2Very low81 Ų81132.1 Ų132.184%0.83575%0.748SS**  trans159.5109.3173.500000115.4
245G32.3Very low44.8Very low84 Ų84131.4 Ų131.487%0.86676%0.756SS**  trans105115.1170.600000114.6
246E42.1Very low44.6Very low194 Ų194128.9 Ų128.991%0.90775%0.754SS**  trans-83.3140.9176.4-58.4176106.300112.1
247S33.3Very low44.6Very low114 Ų114131.9 Ų131.980%0.79776%0.759SS**  -17912612934.40000115.3
248V37.4Very low44.7Very low129 Ų129130.2 Ų130.278%0.78275%0.747SS**  trans50.4104.8132.9-170.10000120.3
249Q38.9Very low44.9Very low143 Ų143125.7 Ų125.767%0.66874%0.735SS**  trans68124146.2-68.6-171.515.800122.8
250R39.4Very low45.2Very low207 Ų207131.8 Ų131.878%0.78174%0.739SS**  trans65.5105.8141.6-64.8170.7172.2147.7-11.1119
251T40.8Very low45.7Very low138 Ų138132.3 Ų132.385%0.84773%0.734SS**  151108.1113.1-63.30000112.1
252S37.6Very low46.1Very low95 Ų95131.4 Ų131.466%0.66472%0.723SS**  trans-154.330.7175.658.70000116.2S254S252-S254 PolarHBondContact O-N 2.98Å
253V46.1Very low46.3Very low129 Ų129126 Ų12678%0.78270%0.702SS**THydrogen-bonded Turntrans-68.29.1173.3-172.40000112.8
254S51.3Low47Very low76 Ų76122.7 Ų122.753%0.53168%0.678SS.*THydrogen-bonded Turntrans-84.2-42.3-178.345.40000113.9S252 A256 K257 E258S252-S254 PolarHBondContact O-N 2.98Å; S254-A256 PolarHBondContact O-N 2.74Å; S254-K257 CarbonylContact O-C 3.55Å; S254-K257 WeakPolarHBondContact O-CA 3.21Å; S254-K257 WeakPolarHBondContact O-CB 3.48Å; S254-K257 PolarHBondContact O-N 2.9Å; S254-K257 VanDerWaalsContact O-N 3.09Å; S254-E258 PolarHBondContact O-N 3.39Å
255A48.7Very low48Very low71 Ų71126.2 Ų126.259%0.58767%0.671SS**Hα-helixtrans-57.3-56.1-164.900000113.9K257 E258 H259A255-K257 VanDerWaalsContact C-N 3.28Å; A255-K257 PolarHBondContact O-N 3.15Å; A255-E258 PolarHBondContact O-N 3Å; A255-E258 VanDerWaalsContact O-N 3.15Å; A255-H259 PolarHBondContact O-N 3.41Å
256A49.1Very low49.1Very low83 Ų83127.7 Ų127.769%0.68666%0.658SS**Hα-helixtrans-63.5-32.9177.900000112.8S254 R260S254-A256 PolarHBondContact O-N 2.74Å; A256-R260 PolarHBondContact O-N 3.29Å; A256-R260 VanDerWaalsContact O-N 3.14Å
257K52.2Low49.7Very low146 Ų146124.3 Ų124.364%0.63565%0.646SS**Hα-helixtrans-70.7-32.5176.4-117.5173.1-176.2170.90112S254 A255 R261S254-K257 CarbonylContact O-C 3.55Å; S254-K257 WeakPolarHBondContact O-CA 3.21Å; S254-K257 WeakPolarHBondContact O-CB 3.48Å; S254-K257 PolarHBondContact O-N 2.9Å; S254-K257 VanDerWaalsContact O-N 3.09Å; A255-K257 VanDerWaalsContact C-N 3.28Å; A255-K257 PolarHBondContact O-N 3.15Å; K257-R261 WeakPolarHBondContact O-CB 3.32Å; K257-R261 WeakPolarHBondContact O-CG 3.48Å; K257-R261 PolarHBondContact O-N 3.09Å; K257-R261 VanDerWaalsContact O-N 3.16Å
258E53.2Low50.6Low92 Ų92127.1 Ų127.143%0.4364%0.639SS.*Hα-helixtrans-76-42.5175.1-169.7168.7155.300112S254 A255 R260 R261 R262S254-E258 PolarHBondContact O-N 3.39Å; A255-E258 PolarHBondContact O-N 3Å; A255-E258 VanDerWaalsContact O-N 3.15Å; E258-R260 VanDerWaalsContact C-N 3.31Å; E258-R260 PolarHBondContact O-N 3.37Å; E258-R261 CarbonylContact O-C 3.42Å; E258-R261 WeakPolarHBondContact O-CA 3.11Å; E258-R261 WeakPolarHBondContact O-CB 3.32Å; E258-R261 PolarHBondContact O-N 3.06Å; E258-R262 HydrophobicContact CG-CG 4.28Å; E258-R262 WeakPolarHBondContact O-CG 3.39Å; E258-R262 PolarHBondContact O-N 3.03Å; E258-R262 IonicContact OE1-CZ 3.24Å; E258-R262 VanDerWaalsContact OE1-CZ 3.24Å; E258-R262 IonicContact OE1-NE 2.95Å; E258-R262 PolarHBondContact OE1-NE 3.13Å; E258-R262 IonicContact OE1-NH2 2.69Å; E258-R262 PolarHBondContact OE1-NH2 2.91Å
259H55.4Low51.2Low115 Ų115130.1 Ų130.153%0.53264%0.636SS.*Hα-helixtrans-55.8-46.5173.8-174.234000111.3A255 R261 R262 M263A255-H259 PolarHBondContact O-N 3.41Å; H259-R261 VanDerWaalsContact C-N 3.29Å; H259-R261 PolarHBondContact O-N 3.02Å; H259-R262 PolarHBondContact O-N 2.91Å; H259-M263 WeakPolarHBondContact CE1-CE 3.26Å; H259-M263 VanDerWaalsContact CE1-SD 3.51Å; H259-M263 WeakPolarHBondContact NE2-CE 3.29Å; H259-M263 PolarHBondContact O-N 3.22Å
260R58.6Low51.5Low211 Ų211126.5 Ų126.580%0.79663%0.63SS**Hα-helixtrans-61.1-33.9173.6-156.7175.7-165.4-178.45.5113.1A256 E258 G264A256-R260 PolarHBondContact O-N 3.29Å; A256-R260 VanDerWaalsContact O-N 3.14Å; E258-R260 VanDerWaalsContact C-N 3.31Å; E258-R260 PolarHBondContact O-N 3.37Å; R260-G264 PolarHBondContact O-N 3.42Å
261R59.5Low51.8Low189 Ų189120.8 Ų120.871%0.71362%0.623SS**Hα-helixtrans-76-24.9173.2-80178.9167.3-165.6-3.5113.9K257 E258 H259 K265K257-R261 WeakPolarHBondContact O-CB 3.32Å; K257-R261 WeakPolarHBondContact O-CG 3.48Å; K257-R261 PolarHBondContact O-N 3.09Å; K257-R261 VanDerWaalsContact O-N 3.16Å; E258-R261 CarbonylContact O-C 3.42Å; E258-R261 WeakPolarHBondContact O-CA 3.11Å; E258-R261 WeakPolarHBondContact O-CB 3.32Å; E258-R261 PolarHBondContact O-N 3.06Å; H259-R261 VanDerWaalsContact C-N 3.29Å; H259-R261 PolarHBondContact O-N 3.02Å; R261-K265 VanDerWaalsContact O-CG 3.25Å; R261-K265 WeakPolarHBondContact O-CG 3.39Å; R261-K265 PolarHBondContact O-N 3.31Å
262R60.3Low52.1Low152 Ų152121 Ų12157%0.57461%0.612SS**Hα-helixtrans-77.6-48.4173.2-69-179.2-172.3-169.65.5110.4E258 H259 G264 K265 L266E258-R262 HydrophobicContact CG-CG 4.28Å; E258-R262 WeakPolarHBondContact O-CG 3.39Å; E258-R262 PolarHBondContact O-N 3.03Å; E258-R262 IonicContact OE1-CZ 3.24Å; E258-R262 VanDerWaalsContact OE1-CZ 3.24Å; E258-R262 IonicContact OE1-NE 2.95Å; E258-R262 PolarHBondContact OE1-NE 3.13Å; E258-R262 IonicContact OE1-NH2 2.69Å; E258-R262 PolarHBondContact OE1-NH2 2.91Å; H259-R262 PolarHBondContact O-N 2.91Å; R262-G264 VanDerWaalsContact C-N 3.34Å; R262-G264 PolarHBondContact O-N 3.29Å; R262-K265 WeakPolarHBondContact O-CA 3.24Å; R262-K265 WeakPolarHBondContact O-CB 3.37Å; R262-K265 PolarHBondContact O-N 3.28Å; R262-L266 PolarHBondContact O-N 3.31Å
263M51.5Low52.6Low90 Ų90124.9 Ų124.944%0.44362%0.619SS.*Hα-helixtrans-55.8-48170.9-118.289.598.700111.6H259 K265 L266 L267H259-M263 WeakPolarHBondContact CE1-CE 3.26Å; H259-M263 VanDerWaalsContact CE1-SD 3.51Å; H259-M263 WeakPolarHBondContact NE2-CE 3.29Å; H259-M263 PolarHBondContact O-N 3.22Å; M263-K265 PolarHBondContact O-N 2.86Å; M263-K265 VanDerWaalsContact O-N 3.12Å; M263-L266 PolarHBondContact O-N 2.89Å; M263-L266 VanDerWaalsContact O-N 3.09Å; M263-L267 PolarHBondContact O-N 3.39Å
264G60.5Low52.4Low38 Ų38125.9 Ų125.939%0.39262%0.62SS.*Hα-helixtrans-66.3-817600000115.3R260 R262 R268R260-G264 PolarHBondContact O-N 3.42Å; R262-G264 VanDerWaalsContact C-N 3.34Å; R262-G264 PolarHBondContact O-N 3.29Å; G264-R268 WeakPolarHBondContact O-CB 3.29Å
265K59.6Low51.9Low154 Ų154129.4 Ų129.467%0.6763%0.631SS**Hα-helixtrans-97.2-31.5168.8-80.7174.4177.6-175.20112.5R261 R262 M263 R268 R269R261-K265 VanDerWaalsContact O-CG 3.25Å; R261-K265 WeakPolarHBondContact O-CG 3.39Å; R261-K265 PolarHBondContact O-N 3.31Å; R262-K265 WeakPolarHBondContact O-CA 3.24Å; R262-K265 WeakPolarHBondContact O-CB 3.37Å; R262-K265 PolarHBondContact O-N 3.28Å; M263-K265 PolarHBondContact O-N 2.86Å; M263-K265 VanDerWaalsContact O-N 3.12Å; K265-R268 CarbonylContact O-C 3.58Å; K265-R269 PolarHBondContact O-N 2.98Å; K265-R269 VanDerWaalsContact O-N 3.07Å
266L55.6Low51.1Low116 Ų116135.5 Ų135.561%0.60764%0.639SS**Hα-helixtrans-69.5-53.1173.4-83.4160.3000111.3R262 M263 R268 R269 A270R262-L266 PolarHBondContact O-N 3.31Å; M263-L266 PolarHBondContact O-N 2.89Å; M263-L266 VanDerWaalsContact O-N 3.09Å; L266-R268 PolarHBondContact O-N 3.47Å; L266-R269 WeakPolarHBondContact O-CA 3.49Å; L266-R269 WeakPolarHBondContact O-CB 3.33Å; L266-R269 PolarHBondContact O-N 3.04Å; L266-A270 PolarHBondContact O-N 3.25Å
267L55.3Low50.2Low122 Ų122140.6 Ų140.664%0.63964%0.641SS**Hα-helixtrans-58.4-37.1175.1-67.7168.7000111.4M263 R269 S271M263-L267 PolarHBondContact O-N 3.39Å; L267-R269 VanDerWaalsContact C-N 3.28Å; L267-R269 PolarHBondContact O-N 2.6Å; L267-S271 WeakPolarHBondContact O-CB 3.48Å; L267-S271 PolarHBondContact O-N 3.43Å
268R51.1Low49.1Very low174 Ų174140.7 Ų140.766%0.65765%0.648SS**Hα-helixtrans-81.21.2175.7-152.7178.9-157.5-141.65.4114.5G264 K265 L266 K272G264-R268 WeakPolarHBondContact O-CB 3.29Å; K265-R268 CarbonylContact O-C 3.58Å; L266-R268 PolarHBondContact O-N 3.47Å; R268-K272 WeakPolarHBondContact O-CB 3.24Å; R268-K272 WeakPolarHBondContact O-CG 3.44Å
269R51.5Low47.8Very low191 Ų191141.8 Ų141.872%0.72167%0.665SS**Hα-helixtrans-92.9-51.5163.2-90.3179.5164.7174.7-6.7109.9K265 L266 L267 S271 K272 Q273K265-R269 PolarHBondContact O-N 2.98Å; K265-R269 VanDerWaalsContact O-N 3.07Å; L266-R269 WeakPolarHBondContact O-CA 3.49Å; L266-R269 WeakPolarHBondContact O-CB 3.33Å; L266-R269 PolarHBondContact O-N 3.04Å; L267-R269 VanDerWaalsContact C-N 3.28Å; L267-R269 PolarHBondContact O-N 2.6Å; R269-S271 PolarHBondContact O-N 3.1Å; R269-K272 PolarHBondContact O-N 3.47Å; R269-Q273 PolarHBondContact O-N 3.23Å
270A45Very low46.8Very low67 Ų67143.9 Ų143.955%0.55468%0.68SS**Hα-helixtrans-56.2-52.3175.800000112L266 K272 Q273L266-A270 PolarHBondContact O-N 3.25Å; A270-K272 PolarHBondContact O-N 2.81Å; A270-Q273 PolarHBondContact O-N 3.32Å
271S45.8Very low45.7Very low88 Ų88139 Ų13962%0.61568%0.676SS**THydrogen-bonded Turntrans-60.3-13.3175.6166.60000114.4L267 R269L267-S271 WeakPolarHBondContact O-CB 3.48Å; L267-S271 PolarHBondContact O-N 3.43Å; R269-S271 PolarHBondContact O-N 3.1Å
272K46.3Very low44.1Very low142 Ų142138.2 Ų138.262%0.61768%0.68SS**THydrogen-bonded Turntrans-101-1.4-179.8-85.9-162.9167.5-153.90115.2R268 R269 A270R268-K272 WeakPolarHBondContact O-CB 3.24Å; R268-K272 WeakPolarHBondContact O-CG 3.44Å; R269-K272 PolarHBondContact O-N 3.47Å; A270-K272 PolarHBondContact O-N 2.81Å
273Q48.3Very low42.5Very low177 Ų177137.6 Ų137.683%0.82769%0.693SS**THydrogen-bonded Turntrans-92.2-14.2173.1-72-172.4-8700113.6R269 A270R269-Q273 PolarHBondContact O-N 3.23Å; A270-Q273 PolarHBondContact O-N 3.32Å
274N40.9Very low41.7Very low150 Ų150138 Ų13880%0.80270%0.704SS**SBendtrans-101.88.2-177-142.2-11.9000114.8
275I42.2Very low40.1Very low149 Ų149145.4 Ų145.476%0.76473%0.729SS**SBendtrans-145.392.4170.4-52.5177.8000108.9
276R30.8Very low38.5Very low200 Ų200143 Ų14376%0.75573%0.732SS**SBendtrans164.675.8147.2-172.9178.2-173.4-150.62.8113.5
277R29.8Very low37Very low189 Ų189146.8 Ų146.871%0.71374%0.743SS**  165.4120.5121.7-95.7-178.9-162.291.3-15.9112.9
278D29.8Very low35.9Very low149 Ų149149.5 Ų149.580%0.79775%0.75SS**  trans-76.9174.4134.5-61-71000110.4
279C25.4Very low34.7Very low114 Ų114147 Ų14777%0.7775%0.754SS**  trans69107.9169.7-53.50000116.9
280N34.6Very low33.7Very low160 Ų160145.8 Ų145.886%0.85675%0.754SS**  trans-62.3153.3139.4-75.4-37.5000108.8
281P35.8Very low32.9Very low108 Ų108147.7 Ų147.770%0.70176%0.755SS**  -145.3163.790.938.4-22.5000116.4
282E25.2Very low32.1Very low173 Ų173151.8 Ų151.881%0.80876%0.764SS**  trans67.6116.4145-75.3168.7176.600122.9
283V28.6Very low31.2Very low138 Ų138151 Ų15184%0.83677%0.771SS**  51.4139.6113.3-175.90000120.2
284S34.2Very low30Very low98 Ų98151.4 Ų151.469%0.68577%0.77SS**SBendtrans-54.9150174.2-49.90000115.8
285E26.7Very low29.3Very low194 Ų194150 Ų15091%0.90777%0.767SS**  trans61.3142.7157.3-65.5-170.9113.300119.3
286S24.6Very low29Very low105 Ų105148.1 Ų148.173%0.73477%0.765SS**  trans-84.1118173.958.30000111.5
287F25.7Very low28.6Very low194 Ų194147.4 Ų147.485%0.85177%0.767SS**  trans-149.8106.4147.5-99.2-66.2000114.5
288K30.4Very low28.3Very low179 Ų179144.5 Ų144.578%0.77877%0.77SS**  trans29.4118.6146.2-74.8-174.8173.5179.30121.4
289V27.8Very low28.5Very low122 Ų122146.9 Ų146.974%0.73977%0.774SS**  87.2111.7118.4173.80000119.7
290K29.6Very low29.3Very low166 Ų166146.9 Ų146.972%0.72277%0.772SS**  trans106136.4136.1-98.1-178.3150.8-71.10122.4
291D28.7Very low28.7Very low106 Ų106149.8 Ų149.857%0.56777%0.772SS**  trans77.4108.4144.3-57.8-20.6000123.3
292E29Very low28.3Very low174 Ų174150.6 Ų150.681%0.81377%0.77SS**  87.9101.9128.3-63.9-174.6162.900124.1
293V27.2Very low28.1Very low126 Ų126148 Ų14876%0.76477%0.769SS**  67112.7127.2-171.60000122.3
294F22.8Very low27.9Very low185 Ų185145.3 Ų145.381%0.81177%0.77SS**  trans4.2131.1145.9-65.9-94000123
295V26.1Very low27.5Very low122 Ų122145.2 Ų145.274%0.73978%0.775SS**  -4.2149.4126-105.80000117.1
296P36.2Very low27.4Very low109 Ų109144 Ų14471%0.70877%0.77SS**  cis-157.6173.149.544.4-23.2000121.4
297F23.1Very low27.5Very low185 Ų185145.7 Ų145.781%0.81177%0.769SS**  trans84.7158.9137.3-113.7-115.9000124.3
298T23.5Very low27.5Very low127 Ų127140.6 Ų140.678%0.77976%0.763SS**  trans77.5130.2167.559.10000121.4
299K32.2Very low27.4Very low200 Ų200136.3 Ų136.387%0.8776%0.761SS**  trans-73.2168.1151.5-59.7179.9178.4179.60108.6
300P42.5Very low27.3Very low114 Ų114136.9 Ų136.974%0.7477%0.765SS**  cis-144.8-154.120.342.2-19.5000114.7
301W22.6Very low27.1Very low221 Ų221133.3 Ų133.384%0.83776%0.761SS**  trans82.6101.1155.2-149.1-82.6000119.7
302D26.8Very low27.2Very low125 Ų125134.5 Ų134.567%0.66877%0.766SS**  41.2152121.1-137.3-17.5000123.3
303C22.3Very low27.1Very low117 Ų117132.6 Ų132.679%0.79176%0.761SS**  trans68.2155.2164.8-69.40000119.1
304G23Very low27.4Very low82 Ų82133.7 Ų133.785%0.84576%0.758SS**  trans130.8107.3170.600000113.7
305A25.6Very low27.7Very low97 Ų97132.4 Ų132.480%0.80275%0.752SS**  trans-113.7-177.4177.100000111.9
306E25Very low27.9Very low169 Ų169132.2 Ų132.279%0.7974%0.743SS**  trans92.1130.2153.1-76.3-150.7123.700122.6
307L27.1Very low27.3Very low140 Ų140132.2 Ų132.273%0.73374%0.737SS**  trans70.7121147.6-59.8163.5000118.6
308A25.3Very low27.5Very low87 Ų87130.6 Ų130.672%0.71973%0.732SS**  cis83.3151.245.200000113.6
309A28.6Very low27.6Very low88 Ų88131 Ų13173%0.72773%0.728SS**  cis-172.8175.6-18.100000109.3
310T26.2Very low27.3Very low134 Ų134125.9 Ų125.982%0.82272%0.718SS**  trans-176.915214914.50000109
311S25.2Very low26.3Very low92 Ų92127.2 Ų127.264%0.64372%0.718SS**  cis-148.5113.3-4.7173.40000108.1
312I30.1Very low26.3Very low130 Ų130121.4 Ų121.467%0.66771%0.711SS**  56118.693.4-48.7156.7000115.4
313N28.4Very low26.3Very low135 Ų135120.8 Ų120.872%0.72271%0.712SS**  159.6141.1127.3-90.2-68.8000111.8
314H32.2Very low26.4Very low149 Ų149122.9 Ų122.969%0.6971%0.71SS**  cis-168.1174.5-15.4-155.217.7000112.4
315K29.2Very low26.6Very low158 Ų158128.3 Ų128.369%0.68771%0.712SS**  trans79.1134.5165.6-67.9-177.1173.4-87.40119.6
316Q30.6Very low26.5Very low117 Ų117132.3 Ų132.355%0.54772%0.715SS.*  cis-165.5146.4-19.5-129.9-171.9-79.200111.9
317N24.8Very low26.7Very low109 Ų109129.6 Ų129.658%0.58371%0.714SS**  trans67.9150.5162.9-47.3-17.5000115.9
318H25.6Very low26.7Very low152 Ų152130.6 Ų130.670%0.70472%0.72SS**  cis-174.1151.9-16.7-92-24.5000105.7
319L27Very low26.6Very low134 Ų134134.4 Ų134.470%0.70272%0.723SS**  cis-161143.1-2.2-101.5160.6000109
320S24.8Very low26.4Very low93 Ų93134.6 Ų134.665%0.6572%0.724SS**  46.3146128.1-560000123.1
321L22.1Very low26.4Very low143 Ų143132.9 Ų132.975%0.74972%0.716SS**  cis-164.1155.2-1.1-144.478.9000110.7
322S23.6Very low26.5Very low99 Ų99135 Ų13569%0.69272%0.72SS**  trans54.4159.8141.7-75.90000122.8
323V25.2Very low26.3Very low112 Ų112135.2 Ų135.268%0.67972%0.723SS**  cis-166.3-174.5-31.993.90000108.1
324E24.7Very low26.3Very low161 Ų161136.2 Ų136.275%0.75273%0.728SS**  trans73.3115.4161.5-92.3147.2-155.700120.2
325H26.6Very low26.4Very low195 Ų195136.7 Ų136.790%0.90373%0.734SS**  trans-81.8149.2140-96-96.6000109
326Q24.9Very low26.7Very low182 Ų182134.4 Ų134.485%0.8574%0.736SS**  trans-137.5131.3171.5-168.5175.1102.500110.2
327S28.6Very low26.4Very low111 Ų111139.7 Ų139.778%0.77675%0.752SS**  trans-152.1128.3172.857.80000109.7
328L26.5Very low27.6Very low162 Ų162139.6 Ų139.685%0.84876%0.757SS**  trans-167.3134.1158.8-108.1168000111.8
329Q23.9Very low28.1Very low167 Ų167138.4 Ų138.478%0.7876%0.763SS**  trans78.490.1133.8-155.416117.100122.3
330A24.8Very low28.1Very low92 Ų92141.6 Ų141.676%0.7677%0.774SS**  -161.2115.9125.200000106.7
331C26Very low28.1Very low97 Ų97140.8 Ų140.866%0.65578%0.781SS**  68.1128.479-67.20000114.3
332D26.2Very low28.4Very low136 Ų136141.4 Ų141.473%0.72778%0.784SS**  cis-158.4159.7-12.2-86.8-41.1000110.1
333D27.1Very low28.7Very low135 Ų135144.1 Ų144.172%0.72279%0.79SS**  trans34.4116.4154-65.8-19.3000125
334L28.9Very low28.6Very low157 Ų157142.3 Ų142.382%0.82278%0.782SS**  64.4143.6120-57.9173.4000124.5
335L32.7Very low28.8Very low159 Ų159143.4 Ų143.483%0.83278%0.784SS**  trans-43.8169.4167.8-55.1165.9000115.7
336P35.8Very low28.7Very low110 Ų110142.6 Ų142.671%0.71478%0.781SS**  cis-152.2162.223.843.9-22.9000121
337Y24.2Very low28.6Very low227 Ų227144.4 Ų144.489%0.8978%0.78SS**  trans55.8174.5143.9-86.4-53.4000122.6
338P50.9Low28.9Very low107 Ų107144.4 Ų144.470%0.69578%0.778SS**  trans-116.4-175.6-141.445.7-34.2000116
339P36.1Very low28.8Very low128 Ų128141.2 Ų141.283%0.83177%0.768SS**  -148.5172.4126.138.9-23.3000117.4
340H26.9Very low28.8Very low201 Ų201138.4 Ų138.493%0.93177%0.766SS**  trans-67.8162.4171.8-83.1-112.4000115.1
341G25.4Very low28.8Very low76 Ų76139.5 Ų139.578%0.78477%0.769SS**  trans-174.9115.7159.700000116.6
342L28.1Very low28.9Very low155 Ų155143 Ų14381%0.81278%0.777SS**  trans-72.3153.7172.3-82.276.2000113
343L29.1Very low29.5Very low156 Ų156142 Ų14282%0.81778%0.779SS**  -168.8114.9116.1-128.572.4000117.5
344S23.7Very low29.5Very low74 Ų74139.7 Ų139.752%0.51778%0.778SS.*  trans54.4135.4133.376.80000125.3
345K29Very low29.5Very low184 Ų184141.5 Ų141.580%0.878%0.779SS**  trans73147.8147.7-63.7156.2-175173.50117
346Q24.2Very low29.2Very low178 Ų178142.9 Ų142.983%0.83278%0.781SS**  cis-154154-2.1-140.6170.3-45.700111.5
347W23Very low28.7Very low221 Ų221142.2 Ų142.284%0.83779%0.785SS**  trans-89.7169.8162.2-104.921.2000110.3
348P35.7Very low30.3Very low111 Ų111137 Ų13772%0.72178%0.779SS**  cis-146.7165.531.541.5-20.8000120.4
349C23.5Very low29.5Very low95 Ų95138.2 Ų138.264%0.64279%0.787SS**  trans26.2133.3140.8-47.30000123.3
350S23.7Very low28.9Very low108 Ų108137.3 Ų137.376%0.75578%0.784SS**  154.5157.591.262.20000117.1
351S24.9Very low28.6Very low115 Ų115133.1 Ų133.180%0.80478%0.776SS**  trans79.7131.2150.874.30000122.8
352M28.2Very low28.5Very low169 Ų169136.3 Ų136.383%0.83378%0.78SS**  trans-86.6160.4155.2-71.1-11973.300109.1
353P38.2Very low28.4Very low117 Ų117133.2 Ų133.276%0.7677%0.771SS**  -162174.980.544.2-22.7000119.9
354A27.3Very low28.2Very low86 Ų86134.5 Ų134.571%0.71177%0.773SS**  trans73.8103.7137.500000124.5
355K29.1Very low28.4Very low195 Ų195134.3 Ų134.385%0.84878%0.782SS**  74140.5104.4-143.9-175.9-172.8178.40121.7
356Q26.6Very low28.2Very low188 Ų188131.4 Ų131.488%0.87979%0.785SS**  trans99.8157.4159.3-55-16584.700118.5
357A24.6Very low28.4Very low95 Ų95128.7 Ų128.779%0.78578%0.78SS**  trans-134.9-149.7-164.100000111.9
358P57.3Low28.9Very low117 Ų117128.1 Ų128.176%0.7678%0.784SS**  -113.4170.3-11240.3-27.3000115.3
359P34.9Very low28.4Very low133 Ų133126.5 Ų126.586%0.86479%0.788SS**  trans-121.1-178.9156.337.6-25.6000113.5
360S23.4Very low28.8Very low110 Ų110133.2 Ų133.277%0.76980%0.799SS**  trans-126-152.6-163.461.50000113.8
361C20.1Very low29Very low113 Ų113133.9 Ų133.976%0.76480%0.799SS**  trans77.8128.3-177.5-57.20000115.3
362V23.9Very low29.1Very low143 Ų143137.4 Ų137.487%0.86780%0.803SS**  cis86.8108.127.3-176.70000114.6
363S25.2Very low29.2Very low89 Ų89137.2 Ų137.262%0.62280%0.797SS**  trans-164.5125.7153.1-179.10000110.7
364E25.8Very low28.8Very low184 Ų184137.9 Ų137.986%0.8679%0.79SS**  trans24.4153.1133.4-56.4141.9117.100122.5
365G27Very low28.8Very low69 Ų69140.6 Ų140.671%0.71179%0.793SS**  cis161.8171.6-5.800000114.5
366S26.6Very low28.8Very low123 Ų123137.1 Ų137.186%0.8678%0.783SS**  trans69.9151.3169.3-91.40000120.1
367V27.2Very low28.9Very low122 Ų122137.4 Ų137.474%0.73978%0.782SS**  cis-169.3164.2-24.1115.50000110.7
368K33.4Very low29.1Very low208 Ų208140.7 Ų140.790%0.90478%0.781SS**  trans78.2139.1179.9-66.5172.8179171.80116.7
369G26.1Very low27.6Very low78 Ų78141.9 Ų141.980%0.80479%0.786SS**  cis166.8137.4-13.500000116.9
370R31.2Very low27.1Very low236 Ų236143.1 Ų143.189%0.89179%0.785SS**  trans81.9103.1161.5-98.2-169.1177.2-170.4-1.7122.1
371T29Very low27.8Very low122 Ų122147.1 Ų147.175%0.74879%0.789SS**  84.7131.4124.340.60000124.3
372Q27.1Very low28.2Very low189 Ų189148.8 Ų148.888%0.88379%0.789SS**  trans81.3135.4148.6-157.1176.9-0.300117.8
373K29.6Very low28.4Very low165 Ų165150.1 Ų150.172%0.71778%0.783SS**  cis-162.6160.6-32.9-169-174.9175.1-147.30107.4
374E29.1Very low28.7Very low130 Ų130151.2 Ų151.261%0.60779%0.791SS**  trans79.5130.3161.1-90.4147.8-135.200120.4
375N28Very low28.7Very low144 Ų144149.4 Ų149.477%0.7779%0.787SS**  trans71.173.7145.5-54.4-12.6000120.4
376L28.6Very low29.2Very low122 Ų122150.7 Ų150.764%0.63979%0.785SS**  1.9121.3120.6-179.469.6000116.5
377F29.5Very low29.2Very low194 Ų194152.8 Ų152.885%0.85178%0.781SS**  -161166.9106.8-98.1-64.2000111.2
378Q27.8Very low29.3Very low164 Ų164154.2 Ų154.277%0.76678%0.783SS**  trans-137.5102.1-148.5179.4-177.5-6.300113.1
379T26.2Very low28.9Very low142 Ų142149 Ų14987%0.87178%0.78SS**  trans-138.547.6172.947.50000112.3K381T379-K381 PolarHBondContact O-N 2.94Å
380N24.8Very low28.9Very low159 Ų159148.8 Ų148.885%0.8578%0.777SS**  trans-72.9112178.6-97-40000112.3
381K37.2Very low28.8Very low194 Ų194147.7 Ų147.784%0.84378%0.778SS**  trans-63.1137.5166.4-62.5-176.4179.2-1750111.1T379T379-K381 PolarHBondContact O-N 2.94Å
382L28.3Very low28.9Very low147 Ų147145 Ų14577%0.7778%0.776SS**  trans-141143.8156.4-67.2176.2000108.5
383K28.6Very low29.7Very low171 Ų171141.9 Ų141.974%0.74377%0.772SS**  cis-170.9134.5-32.8-124.1-179.8-157.3169.20104.7
384S31.6Very low30Very low113 Ų113141.5 Ų141.579%0.7978%0.777SS**  trans-77.1135.5158.5179.40000108.5
385L25.6Very low30.3Very low146 Ų146139.8 Ų139.876%0.76478%0.779SS**  trans-159.9126.1152.1-120.7165.1000109.9
386S36.8Very low30.4Very low96 Ų96142.8 Ų142.867%0.67179%0.786SS**  trans-106139.1-173.5450000112.2
387H27.9Very low30.6Very low167 Ų167145.8 Ų145.877%0.77380%0.797SS**  trans-160.6148.9168.1-79-62.8000108.4
388L27.9Very low30.9Very low151 Ų151145.1 Ų145.179%0.79180%0.798SS**  cis-168.1133.6-17.2175.464.1000109.7
389A25.8Very low31.3Very low100 Ų100145.3 Ų145.383%0.82680%0.799SS**  trans62150.4164.700000119.6
390G26.3Very low31.9Very low72 Ų72147 Ų14774%0.74280%0.797SS**  trans-168.3-30.7-179.200000120.4
391K29.9Very low32.4Very low213 Ų213145.8 Ų145.893%0.92680%0.795SS**  trans69.2154.6-171.4-57.6179.2173.6-178.20115.7
392G30.9Very low32.1Very low67 Ų67144.7 Ų144.769%0.69179%0.794SS**  trans-91.4-152.8167.700000112.4
393P43.6Very low32.3Very low123 Ų123143.5 Ų143.580%0.79980%0.797SS**  cis-102.8165.229.737.8-36.3000115.5
394D34.6Very low32.3Very low157 Ų157143.3 Ų143.384%0.8480%0.797SS**  trans-104.4130.2159.8-175.27.8000107.1
395S35.5Very low32.8Very low93 Ų93147.2 Ų147.265%0.6580%0.803SS**  trans-165.793-173.8-65.50000110.8
396F30.3Very low33.2Very low208 Ų208147.7 Ų147.791%0.91280%0.801SS**  trans-119.4109.5152.8-92.2-81.4000108.9
397E33Very low33.1Very low184 Ų184151.9 Ų151.986%0.8681%0.81SS**  trans-77.4135.2175.2-172.9162.6-161.900108.6E399E397-E399 PolarHBondContact O-N 3.38Å
398M35.5Very low33.4Very low180 Ų180150.7 Ų150.789%0.88782%0.815SS**  trans-86.497.3172.6-79.4-70-62.800107.9E400M398-E400 PolarHBondContact O-N 2.7Å
399E37.1Very low33.3Very low168 Ų168146.9 Ų146.979%0.78581%0.811SS**  trans-78.1116.6177.6-164166.8-146.600109.7E397 V401E397-E399 PolarHBondContact O-N 3.38Å; E399-V401 PolarHBondContact O-N 2.98Å
400E39.2Very low33.4Very low177 Ų177149.6 Ų149.683%0.82781%0.812SS**  trans-72.588.4177.5-69.9-175.2143.100110.3M398 Q402M398-E400 PolarHBondContact O-N 2.7Å; E400-Q402 PolarHBondContact O-N 3.48Å
401V34.8Very low33.8Very low134 Ų134151.4 Ų151.481%0.81281%0.811SS**  trans-69.991.8173.8-75.80000111.1E399 S403E399-V401 PolarHBondContact O-N 2.98Å; V401-S403 PolarHBondContact O-N 2.89Å
402Q30.1Very low33.8Very low172 Ų172148.8 Ų148.880%0.80481%0.806SS**  trans-59.9121.5170.5-65173.7-6.300109.9E400 F404E400-Q402 PolarHBondContact O-N 3.48Å; Q402-F404 PolarHBondContact O-N 3.49Å
403S32.8Very low33.6Very low121 Ų121152.9 Ų152.985%0.84681%0.812SS**  trans-75.4113.5171.551.90000109.9V401V401-S403 PolarHBondContact O-N 2.89Å
404F29Very low32.9Very low167 Ų167153.9 Ų153.973%0.73281%0.808SS**  trans-93.6150.616677.9-82.5000110.3Q402 E406Q402-F404 PolarHBondContact O-N 3.49Å; F404-E406 HydrophobicContact CD2-CB 4.05Å; F404-E406 HydrophobicContact CE2-CB 3.7Å
405E42.8Very low32.4Very low196 Ų196152.1 Ų152.192%0.91680%0.803SS**  trans-95.4123.8174.5-61.2168.6122.900109.1
406E34.5Very low32.2Very low155 Ų155153.5 Ų153.572%0.72481%0.812SS**  trans-151.398.8162.5-158.5165.3-167.400110.8F404F404-E406 HydrophobicContact CD2-CB 4.05Å; F404-E406 HydrophobicContact CE2-CB 3.7Å
407E32.9Very low32.1Very low184 Ų184147 Ų14786%0.8680%0.804SS**  49.9127.5122.5-151.8172.7152.500120.7G409E407-G409 PolarHBondContact O-N 3.17Å
408T34.2Very low31.8Very low143 Ų143144.6 Ų144.688%0.87780%0.802SS**  trans-75.1111.6-171.2-53.30000114.2
409G26.7Very low31.4Very low70 Ų70143.1 Ų143.172%0.72280%0.803SS**  trans-133.9105173.800000115E407E407-G409 PolarHBondContact O-N 3.17Å
410N28.9Very low31.1Very low157 Ų157138.5 Ų138.584%0.8480%0.8SS**  trans-71.3139.4164.9-79.2-61.5000110.2
411P34.2Very low30.8Very low110 Ų110135 Ų13571%0.71480%0.802SS**  -154.9149.897.338.9-20.8000118.3
412L29.5Very low30.5Very low158 Ų158139.4 Ų139.483%0.82780%0.804SS**  trans45107.5138-67.5164.8000122.2
413D27.1Very low30.7Very low153 Ų153138 Ų13882%0.81881%0.807SS**  82.6154.8115-145.40.3000121.9
414M27.6Very low30.6Very low145 Ų145139.4 Ų139.471%0.71481%0.805SS**  trans8578.1154.9-157.4148.855.900122.7
415T25.9Very low31.1Very low120 Ų120142.1 Ų142.174%0.73681%0.81SS**  trans74.5148130.168.10000125
416S30.5Very low30.5Very low121 Ų121137.7 Ų137.785%0.84681%0.807SS**  trans75.6132.2150.5-53.80000119.6
417G27.1Very low30.4Very low71 Ų71137 Ų13773%0.73281%0.808SS**  trans-173.8-24.6173.500000123
418T27.1Very low30.4Very low135 Ų135133.8 Ų133.883%0.82881%0.806SS**  trans54.4110.7161.6-55.30000120.1
419V27.3Very low30.3Very low149 Ų149133.1 Ų133.190%0.90381%0.806SS**  trans72.5116.2151.9176.50000119.1
420G30.5Very low30.7Very low70 Ų70138.3 Ų138.372%0.72281%0.811SS**  trans-174.872.3166.400000111.7R422G420-R422 PolarHBondContact O-N 2.98Å
421A32.6Very low30.9Very low104 Ų104136.2 Ų136.286%0.8681%0.809SS**  trans-63.6121.6-174.600000112.3
422R30.2Very low30.9Very low227 Ų227137.6 Ų137.686%0.85781%0.81SS**  trans-117.4155.8162.6-75.7-167.7170.4-140.2-0.5109.8G420G420-R422 PolarHBondContact O-N 2.98Å
423V34.5Very low31Very low143 Ų143134.9 Ų134.987%0.86781%0.805SS**  trans-112.5101.4-175.5177.40000107.2
424D29.9Very low31.6Very low150 Ų150133.5 Ų133.580%0.80281%0.807SS**  trans-78.6125.1-179-62.4-45.8000110.5A426D424-A426 PolarHBondContact O-N 3.26Å
425R38.3Very low31.8Very low224 Ų224130 Ų13085%0.84581%0.808SS**  trans-93.598.7-174.5179.7-167.8-179.497.50.7108.8N427R425-N427 PolarHBondContact O-N 3.35Å; R425-N427 PolarHBondContact O-OD1 2.84Å
426A30.6Very low31.9Very low103 Ų103134.5 Ų134.585%0.85182%0.818SS**  trans-57128.8172.700000111.4D424D424-A426 PolarHBondContact O-N 3.26Å
427N32.9Very low32.2Very low140 Ų140136.4 Ų136.475%0.74982%0.817SS**  trans-130.7100173.259-56.7000109.9R425R425-N427 PolarHBondContact O-N 3.35Å; R425-N427 PolarHBondContact O-OD1 2.84Å
428S32.5Very low32.6Very low117 Ų117141.9 Ų141.982%0.81882%0.824SS**  trans-80.8127.6167.8-179.90000110.1
429C32.5Very low33.1Very low129 Ų129143.4 Ų143.487%0.87282%0.822SS**  trans-151.6152.6160.1-87.20000107.4
430Q35.7Very low33.5Very low178 Ų178142.2 Ų142.283%0.83282%0.817SS**  trans-100.8147.9-163.3-60.2168.7-9100113.6
431S32.3Very low33.6Very low114 Ų114146.2 Ų146.280%0.79782%0.821SS**  trans66.5150.6157-53.20000116.7
432D33.7Very low33.7Very low138 Ų138149.4 Ų149.474%0.73882%0.818SS**  cis-149.7166.426.368.8-53.3000117.1
433S33Very low33.7Very low102 Ų102144.5 Ų144.571%0.71382%0.816SS**  trans64.8107.9148.8-53.20000123
434S38.3Very low33.6Very low124 Ų124144.3 Ų144.387%0.86781%0.809SS**  trans84.385.7131.6-168.10000122.3
435G33.6Very low33.6Very low71 Ų71142.8 Ų142.873%0.73281%0.808SS**  99114.6106.400000120.8
436F27.4Very low33Very low214 Ų214140.2 Ų140.294%0.93981%0.81SS**  -156.6172127.5-136.3-105.9000110.7
437L36.8Very low33Very low161 Ų161144.3 Ų144.384%0.84381%0.811SS**  trans-86.5136.9170-97.2160.9000110.2
438E34.2Very low32.6Very low187 Ų187145.7 Ų145.787%0.87482%0.815SS**  trans-126.8125.5159.1-169167.1-160.900108.3
439E38.2Very low32.4Very low167 Ų167145.4 Ų145.478%0.7881%0.81SS**  trans-93.5118.5-168.1-179.6176.1-149.200110.7L441E439-L441 PolarHBondContact O-N 3.25Å; E439-L441 VanDerWaalsContact O-N 3.15Å
440P36.5Very low32.1Very low123 Ų123145 Ų14580%0.79981%0.809SS**  trans-74.1107.2175.229.3-32.4000110.3
441L32.1Very low31.8Very low155 Ų155144.6 Ų144.681%0.81281%0.812SS**  trans-51.5137.3177.4-68.1168.3000113E439 P443E439-L441 PolarHBondContact O-N 3.25Å; E439-L441 VanDerWaalsContact O-N 3.15Å; L441-P443 WeakPolarHBondContact O-CD 3.34Å
442E34.5Very low32Very low171 Ų171144.6 Ų144.680%0.79981%0.809SS**  trans-57123172.3-72.2-174.5105.400112.2L444E442-L444 PolarHBondContact O-N 2.98Å; E442-L444 VanDerWaalsContact O-N 3.17Å
443P31.2Very low31.5Very low124 Ų124145.2 Ų145.281%0.80581%0.812SS**  trans-79.994.9165.931.7-31.3000109.9L441L441-P443 WeakPolarHBondContact O-CD 3.34Å
444L30.9Very low31.2Very low139 Ų139144.6 Ų144.673%0.72881%0.808SS**  trans-53.7144.5167.1-109.380.1000110.5E442 L446E442-L444 PolarHBondContact O-N 2.98Å; E442-L444 VanDerWaalsContact O-N 3.17Å; L444-L446 PolarHBondContact O-N 3.14Å; L444-L446 VanDerWaalsContact O-N 3.1Å
445P30.4Very low30.8Very low118 Ų118147.7 Ų147.777%0.76681%0.809SS**  trans-71.7109.4-155.825.9-35.4000113.8Q447P445-Q447 VanDerWaalsContact C-N 3.32Å; P445-Q447 PolarHBondContact O-N 3.27Å
446L26.6Very low30.5Very low170 Ų170149.5 Ų149.589%0.8981%0.81SS**  trans-74.387.6166.1-77.3179.1000111L444 M448L444-L446 PolarHBondContact O-N 3.14Å; L444-L446 VanDerWaalsContact O-N 3.1Å; L446-M448 PolarHBondContact O-N 3.06Å; L446-M448 VanDerWaalsContact O-N 3.07Å
447Q29.6Very low31.3Very low188 Ų188144.8 Ų144.888%0.87980%0.801SS**  trans-41.8103.2168-178.317494.400112.9P445P445-Q447 VanDerWaalsContact C-N 3.32Å; P445-Q447 PolarHBondContact O-N 3.27Å
448M25.7Very low30.9Very low170 Ų170141.5 Ų141.584%0.83780%0.797SS**PPolyproline II helixtrans-74.3130.1176.5-81.4-70-75.500111.6L446L446-M448 PolarHBondContact O-N 3.06Å; L446-M448 VanDerWaalsContact O-N 3.07Å
449P27.9Very low30.7Very low110 Ų110140.6 Ų140.671%0.71479%0.793SS**PPolyproline II helixtrans-82.3135.8-176.731.7-34.6000112.8
450S26.7Very low30.3Very low122 Ų122139.4 Ų139.485%0.85379%0.792SS**PPolyproline II helixtrans-75.5135172.9-48.80000112.1
451L28Very low30Very low169 Ų169137.7 Ų137.789%0.88580%0.797SS**PPolyproline II helixtrans-77.7166.9170.5-84.4161.2000111.4
452P36.1Very low29.8Very low113 Ų113133.8 Ų133.873%0.73479%0.793SS**  trans-105.7167.2-136.739.4-38.8000115.7
453N23.3Very low29.7Very low151 Ų151137.4 Ų137.481%0.80780%0.8SS**  trans-149.7163130.9-143.5-30.8000112.8
454S28.3Very low29.6Very low89 Ų89141 Ų14162%0.62280%0.803SS**  trans-60.6165.7171.363.10000113
455Q28.9Very low30.2Very low189 Ų189139.6 Ų139.688%0.88380%0.802SS**  cis-144.4169.228.1-63.5173.6-15.800113.4
456S26.6Very low30Very low109 Ų109143.6 Ų143.676%0.76280%0.802SS**  trans-107.7-173.6173.263.40000111.5
457P44.1Very low29.9Very low116 Ų116139.8 Ų139.875%0.75378%0.782SS**  cis-130.3178-16.138.6-22.6000113.7
458A29.6Very low29.8Very low92 Ų92138.5 Ų138.576%0.7678%0.777SS**  170.1126.9126.900000115.7
459E30.3Very low29.8Very low168 Ų168133.8 Ų133.879%0.78576%0.76SS**  trans42118.4139.1-63.8-153.980.300125.4
460N29.4Very low29.7Very low142 Ų142137.1 Ų137.176%0.75977%0.766SS**  65116.9122.4-68.9-44.4000123.2
461G30.1Very low29.6Very low87 Ų87135.6 Ų135.690%0.89776%0.755SS**  trans87.8153.5158.200000115.2
462G27.5Very low29.6Very low72 Ų72135 Ų13574%0.74275%0.752SS**  cis156.6138.8-5.900000111.7
463R32.2Very low29Very low248 Ų248136.7 Ų136.794%0.93676%0.76SS**  trans69.2119.2174.9-63.3-177.9176.3-87.5-0.8118.6
464K28.7Very low29.2Very low199 Ų199134.7 Ų134.787%0.86576%0.758SS**  trans-63.5166.2139-79.1-176.3175.5178.70110
465P44Very low29.1Very low110 Ų110135.9 Ų135.971%0.71477%0.766SS**  cis-139.8-166.71038.8-18.2000115.5
466R26Very low28.9Very low201 Ų201133 Ų13376%0.75875%0.753SS**  trans90.4122.6137.5-93.8-154.9175.5-133.96120.7
467D24.6Very low28.8Very low90 Ų90134 Ų13448%0.48175%0.75SS.*  75.4127.3124.1-73.319.1000122.7
468Q28.1Very low27.9Very low162 Ų162133.9 Ų133.976%0.75775%0.75SS**  trans70.8142.8134.9-66.2174.266.200117.9
469S25.3Very low27.8Very low70 Ų70138.3 Ų138.349%0.4976%0.755SS.*  cis-178.3151.9-15.252.60000109
470H26.8Very low27.8Very low180 Ų180137.2 Ų137.283%0.83375%0.754SS**  trans66.9154.1160.7-53.4-46.5000115.3
471S23.9Very low27.6Very low91 Ų91139.2 Ų139.264%0.63676%0.759SS**  cis-167.7-167-16.750.40000109.2
472L27.4Very low27.5Very low157 Ų157139.5 Ų139.582%0.82275%0.747SS**  trans72.387.4158.9-68.8162.5000117.7
473V24.4Very low27.5Very low148 Ų148143.2 Ų143.290%0.89775%0.75SS**  trans-61.4122.8138172.50000108.8
474S26Very low27.3Very low108 Ų108135.1 Ų135.176%0.75574%0.743SS**  trans-179.6113.5135-171.50000110.5
475S27.1Very low28.1Very low114 Ų114131 Ų13180%0.79774%0.736SS**  trans-86.6129.7175.850.70000111.8
476Q24.7Very low27.3Very low129 Ų129132.6 Ų132.660%0.60374%0.739SS**  trans-146.695.6165.9-171.4113.9116.200112
477D24.2Very low27.6Very low131 Ų131126.8 Ų126.870%0.70173%0.729SS**  trans32.6121.7144.6-66.9-63.7000123.9
478C25.6Very low27.8Very low112 Ų112131.7 Ų131.776%0.75775%0.746SS**  65.8109.3121.3-61.90000122.2
479Q26.7Very low27.8Very low185 Ų185130.3 Ų130.386%0.86475%0.754SS**  trans-152.5156.6134.7-81.2-153.7-33.300109.7
480L31.4Very low27.8Very low145 Ų145138 Ų13876%0.75977%0.773SS**  cis-168.9-174.7-40.6-128.9165.8000108.6
481E25.2Very low27.7Very low185 Ų185133.8 Ų133.886%0.86477%0.769SS**  trans83.2130.5176.3-56.7-166.6116.600116.9
482S27.3Very low27.7Very low92 Ų92134.6 Ų134.664%0.64378%0.775SS**  cis-152.8136.3-6.1158.50000112.5
483D28.1Very low27.5Very low151 Ų151135.1 Ų135.181%0.80778%0.775SS**  trans47.4108.2149.4-56.5-68000122.5
484G27.9Very low27.4Very low77 Ų77133 Ų13379%0.79477%0.766SS**  trans-63.2-125.1169.300000116.7
485P45.2Very low27.6Very low112 Ų112136.8 Ų136.873%0.72777%0.77SS**  cis-120.7170.510.841.8-29.4000115.4
486D27.5Very low27.5Very low145 Ų145137 Ų13778%0.77577%0.771SS**  trans57.6141.2149.9-81-51.5000122
487S31.3Very low27.6Very low79 Ų79136 Ų13655%0.55278%0.779SS**  cis-158.9154.9-10.7-138.90000112.6
488K29.7Very low27.8Very low193 Ų193137.6 Ų137.684%0.83978%0.782SS**  trans17.2118.1152.3-60.4161.6-175.6162.40119.2
489S27.6Very low27.9Very low132 Ų132140 Ų14092%0.92378%0.782SS**  -157.5165.6107.1-161.50000110.8
490R25.1Very low28.1Very low232 Ų232135.3 Ų135.388%0.87578%0.775SS**  trans-117.1136.7-169.2-173.7177.872.5170.73.7112.1
491A25.9Very low27.8Very low91 Ų91136.1 Ų136.175%0.75278%0.78SS**  trans5479163.900000115.7M493A491-M493 PolarHBondContact O-N 3.18Å
492S23.3Very low27.9Very low109 Ų109131.3 Ų131.376%0.76277%0.772SS**  trans-65.3109.8164.7-57.70000111.3S494S492-S494 WeakPolarHBondContact CB-OG 3.45Å
493M22.9Very low28.6Very low168 Ų168134.9 Ų134.983%0.82878%0.783SS**  trans-70.1127.8130.9-70-171.9-175.600106.6A491 F495A491-M493 PolarHBondContact O-N 3.18Å; M493-F495 HydrophobicContact CB-CE2 4.49Å; M493-F495 HydrophobicContact SD-CE2 4.17Å
494S23.5Very low29.3Very low102 Ų102136.9 Ų136.971%0.71379%0.787SS**  trans-130.682.4171.6-70.40000109.9S492S492-S494 WeakPolarHBondContact CB-OG 3.45Å
495F29.1Very low29.6Very low189 Ų189142.1 Ų142.183%0.82979%0.791SS**  trans-58.5131.6152.2-62.8-96.5000108.8M493M493-F495 HydrophobicContact CB-CE2 4.49Å; M493-F495 HydrophobicContact SD-CE2 4.17Å
496S25Very low29.3Very low117 Ų117148 Ų14882%0.81880%0.799SS**  trans-161118.1145.5-1620000110
497S27.1Very low29.4Very low110 Ų110145 Ų14577%0.76979%0.794SS**  trans-72.5149.2153.245.20000109.5
498Q27.9Very low29.3Very low164 Ų164146.2 Ų146.277%0.76680%0.803SS**  170.498121.4-171.8152.125.500113.9
499E28.9Very low29Very low163 Ų163144 Ų14476%0.76280%0.804SS**  trans65.1154.7138-63.4179.9113.700124.9
500A29.3Very low28.9Very low86 Ų86142.9 Ų142.971%0.71180%0.797SS**  trans67.5114.3167.900000117.8
501N25.4Very low29.1Very low161 Ų161137.6 Ų137.686%0.86179%0.79SS**  cis-154.8175.414-91.3-41.9000112.6
502A27.7Very low29.4Very low85 Ų85140.4 Ų140.470%0.70279%0.79SS**SBendtrans92.168.3163.700000119
503L42.5Very low29.7Very low167 Ų167142.4 Ų142.487%0.87479%0.787SS**SBendtrans5766.4145.5-139.174.3000117.7
504E43.4Very low30.1Very low192 Ų192142.9 Ų142.990%0.89779%0.787SS**  trans55.399.3154.8-60.9-175.514200117.3
505Q34Very low30.5Very low187 Ų187145.8 Ų145.887%0.87479%0.789SS**  trans-93.8161.7-175.4-70.6-170.5-2.600115.2
506R38.8Very low30.2Very low237 Ų237146.4 Ų146.489%0.89479%0.792SS**  trans-53.4169.2170.1-47.5-62.1-178.8124.3-4.2112.4
507A28.3Very low30.2Very low80 Ų80147.7 Ų147.766%0.66179%0.789SS**  cis-153156.618.800000111.6
508S29.6Very low30.2Very low106 Ų106148.5 Ų148.574%0.74178%0.784SS**  39.5108.698.1-46.40000113.7
509V24.6Very low30.1Very low145 Ų145147.5 Ų147.588%0.87978%0.779SS**  cis76.597.441.7-171.40000114.5
510S24.5Very low30.2Very low109 Ų109141.4 Ų141.476%0.76276%0.757SS**  trans-157.1109.5158.453.40000106.4
511V29.6Very low30.2Very low122 Ų122143.8 Ų143.874%0.73976%0.755SS**  84.5115.976.21670000112.4
512M31Very low30.5Very low150 Ų150140.7 Ų140.774%0.73974%0.735SS**  trans64.4145.3170.7-67.515972.400115.9
513E30.5Very low30.5Very low151 Ų151139.4 Ų139.471%0.70673%0.73SS**  cis-156.5166.42.3-131.1161.5-17900111.9
514E32Very low30.3Very low177 Ų177137.6 Ų137.683%0.82773%0.729SS**  trans63.4155159.2-62.2-164.1131.100123.8
515E30.6Very low29.9Very low164 Ų164134.5 Ų134.577%0.76673%0.725SS**  trans39.5129.9165-65.2-160.5128.800123.9
516F23.9Very low29.5Very low201 Ų201133.9 Ų133.988%0.88272%0.722SS**  trans-164.5129.3130.6-103.7-78000106.9
517L24.8Very low28.9Very low145 Ų145129.2 Ų129.276%0.75971%0.714SS**  63.712154.3-84.9172.3000115.7
518L26.7Very low28.9Very low126 Ų126134.9 Ų134.966%0.6672%0.72SS**  trans-88.8141173.1-79.8158.8000111.1F590L518-F590 HydrophobicContact CD1-CD2 4.01Å; L518-F590 HydrophobicContact CD1-CE2 3.85Å; L518-F590 HydrophobicContact CD1-CZ 4.23Å
519E26.8Very low29.1Very low143 Ų143137 Ų13767%0.66872%0.721SS**  172125.2107.9-175.2156.5-143.300113.5F590E519-F590 HydrophobicContact CG-CD1 4.34Å; E519-F590 WeakPolarHBondContact OE1-CD1 3.32Å
520A29.3Very low29.4Very low35 Ų35135.7 Ų135.729%0.28972%0.716SS.*  trans52.2127.8152.700000124.5V591 R592A520-V591 HydrophobicContact CB-CB 4.26Å; A520-V591 HydrophobicContact CB-CG1 3.75Å; A520-V591 HydrophobicContact CB-CG2 4.05Å; A520-R592 WeakPolarHBondContact CB-O 3.44Å
521M30.4Very low29.6Very low136 Ų136137.7 Ų137.767%0.6772%0.718SS**  -161.5156.4117.3-90.8-145.975.600114.7P593M521-P593 VanDerWaalsContact CA-CG 3.5Å; M521-P593 HydrophobicContact CB-CG 3.95Å; M521-P593 HydrophobicContact CE-CB 3.88Å; M521-P593 HydrophobicContact CE-CG 3.64Å; M521-P593 HydrophobicContact CG-CG 3.66Å; M521-P593 HydrophobicContact SD-CG 4.45Å
522E31.6Very low29.4Very low97 Ų97140.4 Ų140.445%0.45373%0.725SS.*  trans-39.4162.6179.5-110.6146.4151.900118P593 E594 G595E522-P593 HydrophobicContact CB-CG 4.19Å; E522-P593 HydrophobicContact CG-CG 4.28Å; E522-P593 VanDerWaalsContact N-CG 3.34Å; E522-P593 VanDerWaalsContact OE2-C 3.3Å; E522-P593 WeakPolarHBondContact OE2-CB 3.48Å; E522-E594 PolarHBondContact OE1-N 3.34Å; E522-E594 PolarHBondContact OE2-N 3.23Å; E522-G595 PolarHBondContact OE1-N 2.94Å; E522-G595 VanDerWaalsContact OE2-CA 3.31Å; E522-G595 WeakPolarHBondContact OE2-CA 3.44Å; E522-G595 PolarHBondContact OE2-N 2.92Å
523G27.5Very low29.1Very low58 Ų58137.3 Ų137.360%0.59872%0.723SS**  cis171.4161.62.200000111.4
524P37.3Very low28.9Very low129 Ų129136.6 Ų136.684%0.83873%0.733SS**  trans-100150.6-158.736.7-35.7000116.4
525P35.5Very low28.5Very low127 Ų127132.3 Ų132.383%0.82573%0.728SS**  trans-113.6128.8150.734.1-24.2000112.3
526E27.1Very low28.4Very low174 Ų174134.4 Ų134.481%0.81374%0.735SS**  trans-58.1149.7178.8-51161.4124.700114.1
527L26.3Very low28.4Very low138 Ų138130.8 Ų130.872%0.72373%0.729SS**  167.4152.7107.7-90.1169.6000115.4
528Y27.5Very low28.3Very low199 Ų199129.7 Ų129.778%0.7873%0.729SS**  trans55.893.3161.5-71-62.1000120.8
529I34.1Very low28.2Very low151 Ų151129.7 Ų129.777%0.77473%0.734SS**  trans-58.3142.9137.5-60.9164.5000109.3
530P30.6Very low28Very low117 Ų117132.8 Ų132.876%0.7674%0.74SS**  trans-129.8127.3137.532.1-20.1000112.5
531D27.9Very low27.8Very low151 Ų151134.9 Ų134.981%0.80776%0.764SS**  trans-52.5151.1157.7-80.3-60.8000110.9
532M26.3Very low27.5Very low179 Ų179135 Ų13588%0.88276%0.763SS**  trans-149.1105.9145.9-159.8135.557.900113.2
533A24.7Very low27.1Very low86 Ų86136.3 Ų136.371%0.71178%0.782SS**  trans-62148.916500000111.1A535A533-A535 PolarHBondContact O-N 3.2Å
534C25.6Very low27.9Very low135 Ų135138.8 Ų138.891%0.91279%0.788SS**  trans-75.259.4174.8-69.70000113.4K536C534-K536 PolarHBondContact O-N 3.44Å
535A24Very low27.3Very low88 Ų88143 Ų14373%0.72779%0.787SS**  trans-74.6111.7169.200000110.5A533 T537A533-A535 PolarHBondContact O-N 3.2Å; A535-T537 PolarHBondContact O-N 3.02Å
536K29.3Very low26.9Very low208 Ų208143.9 Ų143.990%0.90478%0.778SS**  trans-83.7108.9179.3-71.6177.4177.4172.70112.1C534C534-K536 PolarHBondContact O-N 3.44Å
537T22.4Very low27Very low124 Ų124141.1 Ų141.176%0.76177%0.768SS**  trans-143.411016048.50000113.5A535A535-T537 PolarHBondContact O-N 3.02Å
538T24.3Very low27.1Very low122 Ų122138.4 Ų138.475%0.74876%0.761SS**  43.3132.8126.4-19.90000118
539T24.2Very low27.3Very low126 Ų126137.1 Ų137.177%0.77376%0.762SS**  -176.715167.8-50.50000114.2
540R23Very low27.1Very low209 Ų209136.4 Ų136.479%0.78976%0.759SS**  trans100.995.4148-145.3172.7-174.4-175.8-0.9120.4E542R540-E542 IonicContact CZ-OE1 3.18Å; R540-E542 IonicContact NE-OE1 2.83Å; R540-E542 PolarHBondContact NE-OE1 3.49Å; R540-E542 IonicContact NH2-OE1 3.82Å; R540-E542 PolarHBondContact NH2-OE1 3.49Å
541G25.2Very low26.9Very low78 Ų78140.6 Ų140.680%0.80476%0.76SS**  trans-145.3141.6146.600000107.7
542E23.2Very low27Very low138 Ų138140.3 Ų140.365%0.64575%0.754SS**  trans-111.2135.9-161.7-72.3176.3-168.900115.4R540R540-E542 IonicContact CZ-OE1 3.18Å; R540-E542 IonicContact NE-OE1 2.83Å; R540-E542 PolarHBondContact NE-OE1 3.49Å; R540-E542 IonicContact NH2-OE1 3.82Å; R540-E542 PolarHBondContact NH2-OE1 3.49Å
543C24Very low27Very low126 Ų126138.5 Ų138.585%0.85175%0.747SS**  trans71.2162153-93.40000119.4
544P43.6Very low27.3Very low110 Ų110140.5 Ų140.571%0.71475%0.745SS**  cis-132.5164.91.338.9-22.4000117.8
545R25.2Very low28Very low218 Ų218139.9 Ų139.982%0.82374%0.739SS**  trans75.4103148.4-80.6-171.5167.2-161.2-2122.4
546K26.9Very low28.2Very low144 Ų144142.5 Ų142.563%0.62674%0.738SS**  100.6127.1105.7-86.2-172.7143.4-69.10122.4
547D27.8Very low28.6Very low116 Ų116138 Ų13862%0.6273%0.73SS**  trans67.1139.3141.1-47.9-16000120.4
548S29.9Very low28.8Very low81 Ų81140.1 Ų140.157%0.56673%0.731SS**  cis-170.9128.4-18.5-88.50000112.6
549H31.2Very low29.1Very low173 Ų173139.1 Ų139.180%0.80174%0.735SS**  trans64.9169.9153.7-48.6-43000118.3
550L29.7Very low29.2Very low136 Ų136141.7 Ų141.771%0.71274%0.738SS**  cis-154.9121.316.3-170.978.7000114.5
551W27.2Very low29.4Very low204 Ų204142.3 Ų142.377%0.77374%0.742SS**  trans44.8-155.9162.6-68.878.8000116.7
552Q29.6Very low29.5Very low146 Ų146146.5 Ų146.568%0.68274%0.741SS**  cis-163.3149.6-4-139.7136.137.100107.8
553L26Very low29.7Very low141 Ų141145.2 Ų145.274%0.73874%0.742SS**  cis-158.2-164.4-9.7-132.8179000109.2
554L30.8Very low29.9Very low128 Ų128145.3 Ų145.367%0.6774%0.739SS**  trans-133.1169.8171.2-139.9157.3000108.2
555P40.8Very low29Very low121 Ų121150.5 Ų150.579%0.78674%0.744SS**  -151150116.636.7-19.8000117.3
556M28.8Very low29.6Very low143 Ų143145.2 Ų145.270%0.70474%0.738SS**  trans-85.4156.6161.1-84.9-80.4-67.900111.4
557P37.4Very low29.7Very low113 Ų113144.1 Ų144.173%0.73474%0.744SS**  trans-93.5130.3156.634.1-27.2000111.6
558H26.8Very low29.7Very low169 Ų169142.5 Ų142.578%0.78275%0.746SS**  trans-110.7151.4160.4-99.3-92.2000109.1
559A29.3Very low29.5Very low101 Ų101145.1 Ų145.184%0.83576%0.759SS**  trans-140.2135.8160.800000108.6
560E27.1Very low29.5Very low181 Ų181142.7 Ų142.785%0.84676%0.762SS**  trans-117.6131.9-174-58.2177.9130.100110.8
561Y27.4Very low29.6Very low221 Ų221143.6 Ų143.687%0.86776%0.76SS**  trans-175.7152.9147.187.7-82.2000107.5
562E26.9Very low29.6Very low167 Ų167142.7 Ų142.778%0.7876%0.758SS**  cis-160.9172.4-26.2-134.2-167.7147.600108.5
563V28Very low29.5Very low110 Ų110142.3 Ų142.367%0.66776%0.76SS**  trans62.9104.1149.1174.80000119.8
564T26.9Very low29.6Very low129 Ų129144.4 Ų144.479%0.79177%0.766SS**  trans82.3126.9135.8-590000122.4
565R25.1Very low30.2Very low218 Ų218143.8 Ų143.882%0.82377%0.77SS**  trans-95.2139.9168.5-165.3-154.2-67.9141-4.3109.8
566P39Very low29.8Very low108 Ų108145.6 Ų145.670%0.70177%0.772SS**  -123.315397.9-1.423.3000112.3
567T28.2Very low29.7Very low120 Ų120141.8 Ų141.874%0.73677%0.769SS**  61130.768.3-18.80000111.8
568A27.7Very low29.1Very low82 Ų82144.4 Ų144.468%0.67877%0.769SS**  cis-153.5159.425.500000115.9
569T26.2Very low29.2Very low137 Ų137143.3 Ų143.384%0.8477%0.766SS**  trans0.8139.1148.157.20000121.8
570S31.6Very low29.1Very low121 Ų121145 Ų14585%0.84677%0.766SS**  -146.1166.9125.8-162.60000110.9
571K30.5Very low29.2Very low155 Ų155141.3 Ų141.367%0.67476%0.756SS**  trans-127.8170.3178.4-82.4-168.9171-1680110.3
572Y26.4Very low29.1Very low186 Ų186139.8 Ų139.873%0.72976%0.756SS**  trans74.2146.7164.6-63-68.3000114.5
573D28.5Very low29.1Very low138 Ų138138.1 Ų138.174%0.73876%0.757SS**  cis-133.6162.914.6-92.3-57000115.2
574H28.5Very low29.1Very low184 Ų184139 Ų13985%0.85276%0.763SS**  trans-106.3138.5149-73.1-37.7000107.7
575P43.3Very low29.1Very low116 Ų116141.8 Ų141.875%0.75377%0.767SS**  -135.9137.4102.411.510.8000112
576L31Very low29.3Very low158 Ų158139.3 Ų139.383%0.82777%0.767SS**  82.2115.366.8-17474.7000113.4
577G27Very low28.7Very low63 Ų63143.6 Ų143.665%0.64978%0.777SS**  trans127.3140157.900000115.7
578F25.6Very low28.5Very low169 Ų169144.9 Ų144.974%0.74178%0.78SS**  cis-151.5162.2-12.3-124.1-79.5000111.9
579M28Very low28.5Very low146 Ų146145.7 Ų145.772%0.71978%0.781SS**  trans-60.4148.8-174.8-41.1168.7-53.300114
580V28.3Very low28.6Very low135 Ų135145.2 Ų145.282%0.81877%0.767SS**  trans-13383.9148.3-176.70000109.5
581T29.5Very low28.4Very low104 Ų104143.2 Ų143.264%0.63875%0.75SS**  trans26108.5142.455.80000119.4
582H24.6Very low28.4Very low190 Ų190143.6 Ų143.688%0.8875%0.747SS**  trans-76.5142.7133.6-64.2-91.1000108.3
583V28Very low28.7Very low132 Ų132136.2 Ų136.280%0.872%0.722SS**  trans-106.5126168.2175.40000107.8
584T27.6Very low28.8Very low128 Ų128135.8 Ų135.879%0.78572%0.715SS**  trans-113125.8170.849.80000109.4
585E26.1Very low28.9Very low188 Ų188129.7 Ų129.788%0.87970%0.702SS**  trans-122.996.8163.5-171163.9-13600104.3
586M29.1Very low28.2Very low165 Ų165129 Ų12981%0.81371%0.706SS**  72.391.162.3-169.5-177.5168.900112.8
587Q26Very low28Very low198 Ų198125.1 Ų125.193%0.92570%0.704SS**  trans-155.3122.1136.4-129.1172.391.300110.5
588D25.2Very low27.9Very low147 Ų147131.7 Ų131.779%0.78671%0.714SS**  trans-156.6142.7148.2-163.77.9000110.9
589S28.3Very low27.9Very low100 Ų100129.5 Ų129.570%0.69972%0.715SS**  trans55.3139.8161.867.50000121.7
590F27Very low27.7Very low127 Ų127129.4 Ų129.456%0.55771%0.713SS**  trans-85.5-176.8-174.5-86.8-109.7000114.2L518 E519L518-F590 HydrophobicContact CD1-CD2 4.01Å; L518-F590 HydrophobicContact CD1-CE2 3.85Å; L518-F590 HydrophobicContact CD1-CZ 4.23Å; E519-F590 HydrophobicContact CG-CD1 4.34Å; E519-F590 WeakPolarHBondContact OE1-CD1 3.32Å
591V28.3Very low27.7Very low79 Ų79128.9 Ų128.948%0.47972%0.715SS.*  trans95.294.2156.7-172.80000117A520A520-V591 HydrophobicContact CB-CB 4.26Å; A520-V591 HydrophobicContact CB-CG1 3.75Å; A520-V591 HydrophobicContact CB-CG2 4.05Å
592R30.3Very low27.5Very low163 Ų163131.4 Ų131.462%0.61572%0.719SS**  trans-100.3145.1148.2-166.3-142.9173.1-152.7-8.3108.5A520 E594A520-R592 WeakPolarHBondContact CB-O 3.44Å; R592-E594 IonicContact CZ-OE1 2.71Å; R592-E594 IonicContact CZ-OE2 3.38Å; R592-E594 IonicContact NH1-OE1 2.6Å; R592-E594 PolarHBondContact NH1-OE1 3.47Å; R592-E594 IonicContact NH1-OE2 3.69Å; R592-E594 PolarHBondContact NH1-OE2 3Å; R592-E594 IonicContact NH2-OE1 3.82Å; R592-E594 PolarHBondContact NH2-OE1 3.03Å; R592-E594 IonicContact NH2-OE2 3.87Å
593P33.1Very low27.6Very low31 Ų31130 Ų13020%0.20171%0.712CS.*  -137.5-173.9109.513.49.7000111.3M521 E522M521-P593 VanDerWaalsContact CA-CG 3.5Å; M521-P593 HydrophobicContact CB-CG 3.95Å; M521-P593 HydrophobicContact CE-CB 3.88Å; M521-P593 HydrophobicContact CE-CG 3.64Å; M521-P593 HydrophobicContact CG-CG 3.66Å; M521-P593 HydrophobicContact SD-CG 4.45Å; E522-P593 HydrophobicContact CB-CG 4.19Å; E522-P593 HydrophobicContact CG-CG 4.28Å; E522-P593 VanDerWaalsContact N-CG 3.34Å; E522-P593 VanDerWaalsContact OE2-C 3.3Å; E522-P593 WeakPolarHBondContact OE2-CB 3.48Å
594E30.9Very low27.5Very low129 Ų129129.4 Ų129.460%0.60371%0.705SS**  cis100.745.85.4-155.5117-90.700119.2E522 R592E522-E594 PolarHBondContact OE1-N 3.34Å; E522-E594 PolarHBondContact OE2-N 3.23Å; R592-E594 IonicContact CZ-OE1 2.71Å; R592-E594 IonicContact CZ-OE2 3.38Å; R592-E594 IonicContact NH1-OE1 2.6Å; R592-E594 PolarHBondContact NH1-OE1 3.47Å; R592-E594 IonicContact NH1-OE2 3.69Å; R592-E594 PolarHBondContact NH1-OE2 3Å; R592-E594 IonicContact NH2-OE1 3.82Å; R592-E594 PolarHBondContact NH2-OE1 3.03Å; R592-E594 IonicContact NH2-OE2 3.87Å
595G30Very low27.4Very low55 Ų55130.8 Ų130.857%0.56770%0.702SS**  trans-109.435.6-179.500000116.8E522E522-G595 PolarHBondContact OE1-N 2.94Å; E522-G595 VanDerWaalsContact OE2-CA 3.31Å; E522-G595 WeakPolarHBondContact OE2-CA 3.44Å; E522-G595 PolarHBondContact OE2-N 2.92Å
596A27.8Very low27.4Very low103 Ų103126 Ų12685%0.85169%0.69SS**  trans-0.7126.6174.300000121.3
597G26.7Very low27.4Very low75 Ų75124.6 Ų124.677%0.77368%0.681SS**  trans-15885.5174.100000118.5
598K24.7Very low27.2Very low201 Ų201124.8 Ų124.887%0.87467%0.673SS**  trans48.1109.8156.1-74.4175.7179.8170.80119.4
599V27.2Very low27.3Very low123 Ų123122.6 Ų122.675%0.74567%0.67SS**  77.1107.984.1169.80000115.3
600Q24Very low28.1Very low145 Ų145124 Ų12468%0.67868%0.677SS**  trans41.7122.9147.1-62.7179.7-33.900121.1H602Q600-H602 PolarHBondContact NE2-NE2 2.89Å
601S26.5Very low28.2Very low123 Ų123121.5 Ų121.586%0.8669%0.687SS**  -138133117.966.60000110.5
602H25.8Very low28.2Very low158 Ų158125.2 Ų125.273%0.73170%0.704SS**  trans-84.4169.8180-67.9-103.2000112.5Q600Q600-H602 PolarHBondContact NE2-NE2 2.89Å
603H27.5Very low28Very low159 Ų159124.2 Ų124.274%0.73671%0.711SS**  trans117.6134.7130.1-89-65.8000119.5
604N25.7Very low27.9Very low120 Ų120131.7 Ų131.764%0.64274%0.742SS**  trans76.6145.9140.4-71.56.3000119.6
605E24.6Very low27.8Very low157 Ų157131.4 Ų131.473%0.73475%0.75SS**  cis-170174.1-28.3-135.7-173.8164.300108.4
606S27Very low27.8Very low88 Ų88136.8 Ų136.862%0.61576%0.76SS**  trans68.9145.8163.4-72.60000117.3
607Q28Very low27.9Very low135 Ų135137.2 Ų137.263%0.63175%0.748SS**  cis-158.5153.5-10.9-123.4173.478.900111.8
608R23.5Very low28.4Very low202 Ų202140.7 Ų140.776%0.76274%0.742SS**  trans51.7106.4146.1-77.9175.7169.7140.5-9.3120.2
609S26.9Very low28.7Very low102 Ų102138.8 Ų138.871%0.71373%0.734SS**  47.2165.995.277.90000120.3
610P44.7Very low29.2Very low130 Ų130139.6 Ų139.684%0.84473%0.733SS**  cis-127.6-167.90.739.3-21000113
611G28.3Very low29.6Very low74 Ų74140.1 Ų140.176%0.76374%0.735SS**  trans177.94.7174.600000119.9
612N29.3Very low29.9Very low156 Ų156139.8 Ų139.883%0.83473%0.728SS**  trans-75.4138.2169.4-71.9-10.1000110.1
613D26.8Very low30.1Very low143 Ų143138.5 Ų138.577%0.76573%0.727SS**  trans168.8119.4130.7-90.5-18000111.6
614H30.7Very low30.5Very low187 Ų187135.9 Ų135.987%0.86673%0.726SS**  -166.1138.7111.8-105.330000112.6
615T27.3Very low30.7Very low123 Ų123139.9 Ų139.976%0.75574%0.741SS**  trans-102.1-172177.351.10000110.5
616Q29.9Very low30.7Very low168 Ų168136.4 Ų136.479%0.78574%0.739SS**  trans82.7117.5169.2-73.3-172.2-16.900116
617D30.6Very low31.7Very low112 Ų112137.5 Ų137.560%0.59974%0.744SS**  84.9115.266.2-176.150.9000109.4
618K37.4Very low31.7Very low148 Ų148141.4 Ų141.464%0.64375%0.753SS**  -161.6140.185.8-95.8165.9-178.61500117.8
619F30.9Very low31.9Very low162 Ų162139.4 Ų139.471%0.71175%0.752SS**  trans74.1133150.3-56-33.3000119
620L36.8Very low31.9Very low140 Ų140142.2 Ų142.273%0.73375%0.754SS**  cis-158.7128.9-0.9-110.2171.4000115.1
621H32.6Very low31Very low155 Ų155144 Ų14472%0.71875%0.751SS**  trans82.1138135.4-128.8-45.6000125.9
622V32.5Very low30.8Very low116 Ų116144.4 Ų144.470%0.70374%0.742SS**  trans97.978.8154.1-160.70000120.4
623D31.3Very low30.6Very low132 Ų132142.7 Ų142.771%0.70674%0.742SS**  55.4130.8117.6-63.2-45.4000127.3
624S35.3Very low30.6Very low104 Ų104139.5 Ų139.573%0.72774%0.743SS**  104.6102.9129.6-70.80000124.2
625E30.1Very low30.3Very low203 Ų203140.3 Ų140.395%0.94975%0.745SS**  trans74.6167.5134.1-145.6152.1-166.100121.2
626A25.4Very low30.2Very low85 Ų85139.8 Ų139.870%0.70275%0.745SS**  trans-116.4-163.3-15900000111.1
627P46.4Very low31Very low110 Ų110137 Ų13771%0.71474%0.741SS**  cis-146.6179.51.745.9-26.9000118.6
628R28Very low30.7Very low217 Ų217139.4 Ų139.482%0.81975%0.749SS**  trans67.3171.1143.4-72.3-103.3-73-126.3-3121.5
629E27.6Very low30.2Very low160 Ų160137.1 Ų137.175%0.74875%0.747SS**  trans70.7158.4168.2-73.9160.2-143.600117.9
630E27.7Very low29.9Very low161 Ų161136.6 Ų136.675%0.75275%0.752SS**  cis-162.9161.8-44.3-140.2171.9-16700109.8
631E26.2Very low29.5Very low168 Ų168138.7 Ų138.779%0.78576%0.758SS**  trans52.8-174.3163.2-67.1-155.7166.500119.3
632S24.2Very low29.2Very low82 Ų82137 Ų13757%0.57376%0.763SS**  cis161.9148.1-46.499.90000108.7
633S24.3Very low28.8Very low120 Ų120139 Ų13984%0.83977%0.769SS**  trans67.3170.1167.186.10000119.2
634G26.6Very low28.6Very low76 Ų76141.1 Ų141.178%0.78478%0.779SS**  trans110.7119.2164.300000116.4
635F25.3Very low28.2Very low205 Ų205142 Ų14290%0.89978%0.78SS**  trans-101.7151.3174.2-105.2-89.3000112
636C24.1Very low29Very low112 Ų112137.1 Ų137.176%0.75777%0.766SS**  trans70.9159155.5-73.70000119.2
637P46.8Very low29.1Very low109 Ų109141.2 Ų141.271%0.70877%0.77SS**  cis-141.6174.1-29.438.1-20.7000115.7
638H24.9Very low28.2Very low163 Ų163140.8 Ų140.876%0.75577%0.77SS**  trans72.2112.6143.7-109.6-73.7000123.1
639T26.5Very low28.1Very low99 Ų99135.8 Ų135.861%0.60777%0.769SS**  trans65.5117.1138.937.10000123.3
640N26Very low28Very low152 Ų152132.8 Ų132.881%0.81377%0.765SS**  trans91.1130.6130.2-65.8-7.8000120.9
641H27.7Very low28Very low184 Ų184133.8 Ų133.885%0.85277%0.77SS**  trans-65.7142.7173.8-56.5-101.8000112.4
642S26.4Very low27.8Very low119 Ų119130.8 Ų130.883%0.83277%0.766SS**  -169137.5116-81.60000111.3
643L23.8Very low27.9Very low158 Ų158134.2 Ų134.283%0.82778%0.776SS**  trans-122.6105.9162.2-92.5176.3000108.8
644L28Very low28.8Very low177 Ų177133.3 Ų133.393%0.92777%0.768SS**  trans-139.2111.3148-78.6-175.3000109.9
645V25.5Very low28.9Very low121 Ų121139.1 Ų139.173%0.73377%0.772SS**  trans-73.6153.9162.7153.80000107.3
646P47Very low28.9Very low101 Ų101138.5 Ų138.566%0.65677%0.771SS**  cis-143.4168.942.919.98.3000121.1
647E27.7Very low29Very low171 Ų171136.6 Ų136.680%0.79976%0.759SS**  trans71.9107.9136.4-73.8172.715200124.9
648S28.1Very low28Very low101 Ų101139.2 Ų139.271%0.70676%0.762SS**  104.4130.3110.1760000122.2
649S25.1Very low28Very low113 Ų113138.4 Ų138.479%0.7976%0.762SS**  trans67.2153.7152.474.80000120
650S26.4Very low28.2Very low96 Ų96139.8 Ų139.867%0.67177%0.77SS**  cis-169.9141.8-28.253.50000113.2
651Q27Very low29.3Very low182 Ų182137.4 Ų137.485%0.8576%0.763SS**  trans72.1146.5146.9-74.3-179.1-12.100124
652C21.5Very low29.1Very low106 Ų106139.2 Ų139.272%0.71676%0.764SS**  trans70.9121.4158-65.20000120.3
653I26.9Very low29.2Very low153 Ų153137.1 Ų137.179%0.78575%0.754SS**  cis73.813429.5-50.1172.1000112.5
654P44.3Very low29.3Very low102 Ų102135.7 Ų135.766%0.66275%0.752SS**  cis-137.1175.8-7.836.5-17.1000118.1
655K27.7Very low29.1Very low198 Ų198133.7 Ų133.786%0.86174%0.742SS**  trans53.8122.5141.9-75171.7179.3-1780122.3
656H25Very low29.3Very low191 Ų191134.8 Ų134.888%0.88474%0.743SS**  -151.5172.2123-133.6-88.8000112.2
657S26.7Very low28.4Very low73 Ų73133.9 Ų133.951%0.5174%0.744SS.*  trans-129.4167.8-173.155.70000113.8
658E25.3Very low28.5Very low164 Ų164133.8 Ų133.877%0.76674%0.744SS**  trans69.3162.3157.2-71.1160.1134.500116.5
659I25.5Very low28.5Very low146 Ų146135 Ų13575%0.74975%0.747SS**  cis-155.1165.51.8-129.6159.6000110.4
660T30.9Very low28.7Very low127 Ų127134.9 Ų134.978%0.77975%0.746SS**  trans-110.714915941.90000109.1
661P49.2Very low28.9Very low103 Ų103138.5 Ų138.567%0.66975%0.752SS**  -160.5-171.653.843.7-21.1000119.4
662Y24.1Very low28.9Very low221 Ų221140 Ų14087%0.86776%0.756SS**  trans78130.4144.7-97.3-69.5000124.9
663A26.8Very low29.1Very low75 Ų75141.4 Ų141.462%0.6276%0.756SS**  trans98.7129.6133.600000122.7
664T25.9Very low29.3Very low129 Ų129141.3 Ų141.379%0.79176%0.756SS**  trans68.3140.8153.831.30000119.4
665D25.3Very low29.4Very low134 Ų134140.9 Ų140.972%0.71775%0.753SS**  cis-156162.9-3.1-150.81.8000115.4
666L29.1Very low29.3Very low144 Ų144139.2 Ų139.275%0.75475%0.748SS**  trans59.9128.8149.8-122.678.1000124.9
667A27.5Very low29.3Very low82 Ų82137.1 Ų137.168%0.67874%0.742SS**  trans71148.8141.100000119.9
668Q30.6Very low29.3Very low170 Ų170140.5 Ų140.579%0.79475%0.75SS**  cis-156.3147.9-6-127.5171-7.200111.7
669T26.7Very low29.3Very low125 Ų125141 Ų14177%0.76775%0.749SS**  trans21.2144.5148.753.70000121.9
670S29.9Very low29.6Very low112 Ų112141.6 Ų141.678%0.78375%0.753SS**  cis-154143.426.258.40000115.7
671E30.1Very low29.9Very low171 Ų171141.6 Ų141.680%0.79976%0.755SS**  trans-97.2164.9154.2-53.2174.2127.400110.7
672K27.2Very low28.8Very low213 Ų213140.3 Ų140.393%0.92676%0.761SS**  trans-157.2167.2132.8-126.2178.6179.9178.80114.2
673L26.2Very low28.9Very low137 Ų137137.2 Ų137.272%0.71776%0.759SS**  trans-123.7164.2-154.3-70.5156.5000114
674I32Very low29.7Very low151 Ų151139 Ų13977%0.77477%0.765SS**  trans-34.3174.6150.721.1171.7000115.6
675P45.3Very low29.9Very low93 Ų93136.4 Ų136.460%0.60476%0.756SS**  cis-142.3-1662.5218.2000116.4
676H25.1Very low30.1Very low163 Ų163138.5 Ų138.576%0.75576%0.761SS**  trans117109.5141.8-73-62.7000122.7
677L26.1Very low30.1Very low146 Ų146136.4 Ų136.476%0.76475%0.754SS**  52.5123.9116.6-124.280.7000123.9
678H25.8Very low30.2Very low145 Ų145141.5 Ų141.567%0.67176%0.761SS**  trans92.8128.8130.4-140.6-29000122
679K26.3Very low30Very low175 Ų175138.1 Ų138.176%0.76176%0.756SS**  trans109.6119.1133.5-127.3153-170.3169.80120
680L30.6Very low30Very low158 Ų158143.4 Ų143.483%0.82776%0.762SS**  trans-54.8174.1150-104.484.1000112.1
681P39Very low29.9Very low126 Ų126143.6 Ų143.682%0.81876%0.763SS**  cis-141.4-173.926.542.5-23.6000116.4
682G25Very low29.7Very low76 Ų76138.2 Ų138.278%0.78475%0.754SS**  trans162.155.7162.200000120
683D26.9Very low29.7Very low157 Ų157134.6 Ų134.684%0.8475%0.75SS**  trans-92.9161.5154.7-137.13.2000107.4
684P43.7Very low29.8Very low113 Ų113136 Ų13673%0.73476%0.757SS**  cis-145.617538.837.5-14.5000118.1
685A30.3Very low29.4Very low73 Ų73132.4 Ų132.460%0.60376%0.757SS**  140.4130.4105.500000118.6
686Q29.7Very low28.6Very low178 Ų178136.3 Ų136.383%0.83277%0.768SS**  trans72.9146.9148.3-49.6-11418.700116.8
687V28.4Very low28.7Very low100 Ų100136 Ų13661%0.60677%0.77SS**  cis-159.1150.8-0.791.70000112.4
688K29.3Very low28.7Very low189 Ų189136.7 Ų136.782%0.82277%0.774SS**  trans30.8152.8150.1-69.7167.8-174.8175.30122.5
689S25.7Very low29.3Very low99 Ų99135.6 Ų135.669%0.69278%0.779SS**  cis-178.2144.2-13.454.40000114
690R28.2Very low29.1Very low236 Ų236130.3 Ų130.389%0.89177%0.774SS**  trans59.1112.9132.2-168.1174.2-167.7-162.74.5122
691S26.4Very low28.8Very low116 Ų116128.7 Ų128.781%0.81177%0.771SS**  trans78.1126.1135.3-168.20000122.2
692G26.2Very low28.2Very low59 Ų59131.2 Ų131.261%0.60877%0.772SS**  129.3117.7107.900000120.3
693T27.4Very low28.2Very low136 Ų136132.1 Ų132.183%0.83477%0.772SS**  trans80.8114.1133-48.90000121.5
694L27.5Very low28.1Very low167 Ų167132.9 Ų132.987%0.87477%0.771SS**  trans42.3122.8139.2-160.274.4000121.1
695G25.5Very low27.3Very low75 Ų75134 Ų13477%0.77377%0.767SS**  trans-153.7142.8161.900000111.6
696Q28.7Very low27Very low176 Ų176137.4 Ų137.482%0.82277%0.771SS**  trans-109.1177.2179.9-90.9-81.918.200111
697I26.2Very low26.9Very low155 Ų155134.9 Ų134.980%0.79576%0.763SS**  trans98.8124.4165.4-54.9164.2000116.3
698L27.1Very low26.9Very low162 Ų162136.8 Ų136.885%0.84877%0.769SS**  trans-100.4141.4166.9-162.581.5000108.1
699P36.6Very low27.2Very low122 Ų122133.7 Ų133.779%0.79277%0.769SS**  -154.4149.9103.737.1-18.9000116.9
700G22.5Very low27.3Very low63 Ų63134.9 Ų134.965%0.64977%0.767SS**  trans111.4141.313400000121.2
701T25Very low27.5Very low124 Ų124129.8 Ų129.876%0.76176%0.757SS**  trans68.9104.7154360000122.3
702E25.5Very low27.7Very low180 Ų180130.7 Ų130.784%0.84176%0.758SS**  73163.2126.8-68.5174.8-163.100122.1
703A26Very low27.8Very low95 Ų95131 Ų13179%0.78576%0.762SS**  trans70.4149.217800000117.4
704E25.4Very low27.9Very low173 Ų173130 Ų13081%0.80876%0.76SS**  cis-167.4162.2-27.5-153.3176.4179.800109
705M26Very low28Very low135 Ų135128.2 Ų128.267%0.66576%0.761SS**  trans62.8109.6148.5-136.9160.2-170.900123.4
706E24.7Very low28.3Very low145 Ų145135.9 Ų135.968%0.67877%0.767SS**  49.2160.7129.8-55.4180168.100126
707N26.5Very low28.4Very low126 Ų126133.2 Ų133.267%0.67477%0.768SS**  trans94.486.9145.5-63.5-50.3000121.5
708L28.6Very low28.6Very low139 Ų139132.6 Ų132.673%0.72877%0.771SS**  25141.7106.9-77.8174.2000119.2L710L708-L710 HydrophobicContact CD2-CD1 3.96Å
709P35.4Very low28.6Very low125 Ų125133.2 Ų133.281%0.81277%0.771SS**  -149.6167.568.441.1-22.5000120.4
710L28.6Very low28.2Very low124 Ų124133.8 Ų133.865%0.64977%0.773SS**  trans-46.6167.1157-80.858.8000113.4L708L708-L710 HydrophobicContact CD2-CD1 3.96Å
711N32.2Very low28.5Very low129 Ų129139.4 Ų139.469%0.6978%0.782SS**  cis-160.5155.6-4.9-110.8-11.7000106.3
712T29.9Very low28.5Very low134 Ų134142.3 Ų142.382%0.82279%0.789SS**  150.2143.798.5-43.10000105.1
713G29.3Very low28.6Very low67 Ų67139.2 Ų139.269%0.69179%0.787SS**  cis129.996.80.100000111.9
714S29.1Very low28.8Very low115 Ų115140.3 Ų140.380%0.80479%0.789SS**  trans-170.5118.2162.7177.40000111.8
715S30Very low29Very low128 Ų128137.7 Ų137.790%0.89579%0.79SS**  trans-109137.6164.8-56.10000108.9
716R31.2Very low29.1Very low237 Ų237139.6 Ų139.689%0.89480%0.802SS**  trans-121.9111.9177.6-116.8-176.7174.2-168.5-3.3110.1
717S29.8Very low29.4Very low120 Ų120138.3 Ų138.384%0.83980%0.804SS**  trans-76.1142.4168.348.90000110.6
718V30.4Very low29.5Very low142 Ų142138.3 Ų138.386%0.86181%0.814SS**  trans-86.6141.8171.7177.40000109.3
719M28.9Very low29.3Very low175 Ų175136.4 Ų136.486%0.86282%0.818SS**  trans-122.9116.7175-174.9-171.6-59.600107.9Q721M719-Q721 PolarHBondContact O-N 3.45Å
720T27.1Very low28.8Very low134 Ų134134.7 Ų134.782%0.82282%0.815SS**  trans-75.4120.4177.325.20000110.4
721Q28.7Very low28.8Very low181 Ų181137.8 Ų137.885%0.84683%0.826SS**  trans-95.9106.4-175.7-176.6178.93.800110.7M719M719-Q721 PolarHBondContact O-N 3.45Å
722M24.6Very low28.3Very low184 Ų184143.9 Ų143.991%0.90684%0.839SS**  trans-79.7130.5166.2-71.3-70.1-80.100109.8
723S29.2Very low28.2Very low115 Ų115142 Ų14280%0.80484%0.837SS**  trans-107.5109.8-17858.60000112.3
724S29.1Very low28.1Very low118 Ų118145.6 Ų145.683%0.82585%0.845SS**  trans-119.1102.5168.560.20000110.3
725S29.6Very low28.1Very low119 Ų119144.4 Ų144.483%0.83284%0.842SS**  trans-91.2113.5177.856.10000111.6
726L27.2Very low28Very low174 Ų174146.5 Ų146.591%0.91184%0.843SS**  trans-150.5152.9153.2-114171.2000110.8
727V32.1Very low27.7Very low118 Ų118138.4 Ų138.472%0.71583%0.833SS**  trans-106.6139.4-163.8174.40000111.3A729V727-A729 HydrophobicContact CG1-CB 4.31Å
728S27.5Very low27.6Very low126 Ų126139.9 Ų139.988%0.88184%0.837SS**  trans-147.277.4158.9-81.70000110.6A730S728-A730 PolarHBondContact O-N 3.35Å
729A25.1Very low27.4Very low99 Ų99136.6 Ų136.682%0.81883%0.832SS**  trans-86.896175.900000110.7V727V727-A729 HydrophobicContact CG1-CB 4.31Å
730A25.6Very low28.3Very low90 Ų90134.3 Ų134.374%0.74483%0.83SS**  trans-117.999.2175.800000112.2S728S728-A730 PolarHBondContact O-N 3.35Å
731Q27.4Very low28.4Very low188 Ų188139.9 Ų139.988%0.87984%0.836SS**  trans59.293.7149.1-56.3179.71.700119.4
732R23.1Very low28.3Very low257 Ų257134.3 Ų134.397%0.9783%0.827SS**  trans-139.388.6143.8-77.4-162.2-179.2-175.62.6112.7
733A27.3Very low28.5Very low94 Ų94132.7 Ų132.778%0.77783%0.828SS**  trans-155.6154.7158.800000106.1
734V27.9Very low28.2Very low143 Ų143132.1 Ų132.187%0.86782%0.824SS**  cis-154.4143.943.1162.90000111.5
735A27.3Very low28.1Very low90 Ų90134.7 Ų134.774%0.74483%0.827SS**  trans-167.1142.1151.100000108.1
736L29.2Very low28Very low173 Ų173136.8 Ų136.891%0.90682%0.824SS**  cis-158.7147.3-0.1-15886.5000110.9
737G24.3Very low27.9Very low66 Ų66134.9 Ų134.968%0.6882%0.823SS**  trans78.5153.5164.300000117.1
738T28.8Very low27.5Very low152 Ų152134.5 Ų134.593%0.93382%0.822SS**  cis-157149.9-5.72.90000109.7
739G25.6Very low27.4Very low73 Ų73133.5 Ų133.575%0.75381%0.81SS**  trans-87.6-152.1-175.800000115.7
740P47.7Very low27.4Very low127 Ų127134.7 Ų134.783%0.82581%0.811SS**  cis-142.7-164.312.144.5-24.8000116.8
741R28.8Very low27.3Very low251 Ų251137.1 Ų137.195%0.94781%0.811SS**  trans81.5135-177.8-66.6-176.3163.5-137-1.3115.8
742G26.9Very low28.2Very low63 Ų63133.6 Ų133.665%0.64981%0.805SS**  cis165148.2-11.800000114.1
743T27.9Very low28.3Very low150 Ų150128.1 Ų128.192%0.9280%0.8SS**  trans61.5151.4176.1540000117.8
744S24Very low28.4Very low103 Ų103129.6 Ų129.672%0.7280%0.799SS**  cis-175.8116.1-23171.20000110.9
745L27.4Very low28.3Very low173 Ų173126.8 Ų126.891%0.90679%0.791SS**  trans-166.2155.4140.4-138.271.9000111.2
746E26.6Very low28.3Very low163 Ų163128 Ų12876%0.76279%0.79SS**  trans-98153.9-179.6-63.1167.693.800112.1
747C24.3Very low28.1Very low133 Ų133127.6 Ų127.690%0.89978%0.783SS**  -154121.5122.6-120.30000111.6
748T25.7Very low28.1Very low110 Ų110130.1 Ų130.168%0.67579%0.785SS**  trans-62.9167.9177.346.90000113.5
749V24.2Very low27.8Very low105 Ų105133.4 Ų133.464%0.63678%0.781SS**  cis-164.2154-8.8124.90000108.5
750C24.8Very low27.9Very low125 Ų125137.8 Ų137.885%0.84579%0.786SS**  trans-161.4123.5143.3-98.20000110
751D23.7Very low26.9Very low140 Ų140135.4 Ų135.475%0.74978%0.784SS**PPolyproline II helixtrans-88141.5-176.5-70-59000113.5
752P45.9Very low26.8Very low115 Ų115129.8 Ų129.875%0.74778%0.778SS**PPolyproline II helixtrans-91.7128.8155.634.1-27.7000110.5
753V26.3Very low26.8Very low141 Ų141136.9 Ų136.986%0.85579%0.791SS**PPolyproline II helixtrans-102.3134.3175-179.50000110.9
754T29.4Very low26.9Very low125 Ų125134.5 Ų134.577%0.76779%0.786SS**  trans-104.8-170.2-168.149.70000112.5
755A26.3Very low27.1Very low84 Ų84141.1 Ų141.169%0.69480%0.795SS**  trans92.3152160.900000116.8
756T26.1Very low27.2Very low117 Ų117139.8 Ų139.872%0.71879%0.785SS**  cis-146.9151.110.1-27.10000114
757E24.8Very low27.2Very low164 Ų164140.5 Ų140.577%0.76679%0.793SS**  trans6.4138.3155.4-63.3175.3120.800123.6
758T23.8Very low27.4Very low119 Ų119141 Ų14173%0.7379%0.786SS**  33.2146.4128.384.40000120.9
759R24Very low27.4Very low221 Ų221143.7 Ų143.783%0.83480%0.797SS**  cis-175.8154.442.3-155.9-176.3175.4-173.6-0.3111.9
760L26.5Very low27.5Very low165 Ų165142.9 Ų142.986%0.86480%0.801SS**  trans68.1106.1153-15173000119.7
761G26.5Very low27.6Very low76 Ų76142.5 Ų142.578%0.78480%0.8SS**  trans-166.4145.1166.600000110.4
762T28Very low27.7Very low134 Ų134143.8 Ų143.882%0.82281%0.805SS**  trans-120.5148.8-164.7-50.30000114.1
763K27Very low26.8Very low212 Ų212147 Ų14792%0.92281%0.81SS**  trans76.6143.8174.7-89179.1176.1-179.70116.8
764A30Very low26.7Very low99 Ų99147.2 Ų147.282%0.81881%0.812SS**  trans-111.5138.5-165.200000113.7
765R28.7Very low26.4Very low242 Ų242146.1 Ų146.191%0.91381%0.809SS**  trans-175.7143.5160.2-94.2177.9-174.9-168.6-1.3104.4
766Q28.5Very low26.2Very low146 Ų146146.8 Ų146.868%0.68282%0.815SS**  cis-166.2125.7-9.4167.6-175.8-2.900106.2
767L26.7Very low26.2Very low177 Ų177149.7 Ų149.793%0.92783%0.825SS**  trans-146.1142165.6-74.4178.9000107.5
768N28Very low26Very low143 Ų143147 Ų14777%0.76582%0.824SS**  trans-120.5140.7-175.6-69.92.4000110.6
769D26.2Very low26.1Very low168 Ų168148.4 Ų148.490%0.89883%0.827SS**  trans-89.4147.4165.4-66.8-60.2000111.7
770A26.8Very low26.2Very low88 Ų88148 Ų14873%0.72783%0.831SS**  trans179.4118.8148.600000106.3
771S26.6Very low26.2Very low117 Ų117146 Ų14682%0.81883%0.826SS**  cis60.998.545.5-158.20000112
772I26.3Very low26.2Very low167 Ų167150.3 Ų150.386%0.85683%0.831SS**  trans-107.4126.5178-62.7177000108.4
773Q26.2Very low26.1Very low183 Ų183149.2 Ų149.286%0.85582%0.824SS**  trans-129.5164.9168.3-103-170.9-2100110.8
774T24.4Very low26Very low145 Ų145148.3 Ų148.389%0.8982%0.823SS**  trans-72.2140.7-162.8-3.20000114.7
775S23.1Very low25.8Very low102 Ų102146.9 Ų146.971%0.71382%0.818SS**  trans-146.2141.2152.655.30000107
776A22.6Very low26Very low98 Ų98141.6 Ų141.681%0.8181%0.814SS**  cis7184.232.300000113.2
777L25.1Very low25.9Very low177 Ų177143.7 Ų143.793%0.92782%0.824SS**  trans-131.7133.3168.7-159.776.2000111.5
778S21.5Very low26.5Very low107 Ų107140 Ų14075%0.74881%0.811SS**  trans-94.8158.5174.4-172.20000111.5
779N25.2Very low26.3Very low150 Ų150140.3 Ų140.380%0.80281%0.812SS**  trans-57.2138.1-175.2-63.2-62000114
780K26.1Very low26.3Very low211 Ų211137.7 Ų137.792%0.91780%0.802SS**  trans-137.5130.5152.4-75.3-167.6177.5174.50111.9
781T26.7Very low26.3Very low124 Ų124143.1 Ų143.176%0.76181%0.809SS**  trans-90150.9-176.8-41.40000111.5
782L25.8Very low26.3Very low167 Ų167143.3 Ų143.387%0.87481%0.81SS**  trans-141.6144.9146-148.779.7000111.6
783T25.8Very low26.3Very low111 Ų111141.3 Ų141.368%0.68181%0.806SS**  trans-100.9146.6-173.351.40000112.5
784H26.3Very low26.4Very low193 Ų193137.8 Ų137.889%0.89480%0.802SS**  trans-144151.1144.6-97.3-73.7000111
785G25.1Very low26.6Very low69 Ų69139.1 Ų139.171%0.71180%0.802SS**  trans-91176-164.500000116.5
786P32.8Very low26.8Very low130 Ų130141.5 Ų141.584%0.84481%0.807SS**  trans-97.3146-165.736.4-34.9000114.9
787Q26.7Very low27.3Very low191 Ų191141.6 Ų141.689%0.89380%0.802SS**  trans-150156.4149.5-94.3-97-32.500108.5
788P39.6Very low27.4Very low98 Ų98136.3 Ų136.364%0.63679%0.79SS**  trans-104.9168.3-154.639.5-35.8000114.9
789L24.4Very low27.6Very low150 Ų150141.2 Ų141.279%0.78580%0.798SS**  -175124.4119.4-99.1170.8000113.8
790T25.2Very low27.7Very low114 Ų114139 Ų13970%0.69979%0.794SS**  trans23.4118.4147.957.30000120.7
791K27.8Very low27.6Very low201 Ų201134.5 Ų134.587%0.87479%0.79SS**  -172.9113.1116.1-100.7156.9-174.41760111.6
792S25.2Very low27.6Very low121 Ų121135.8 Ų135.885%0.84679%0.79SS**  trans-90.6123.9163.753.20000109.4
793V26.8Very low27.6Very low126 Ų126133.2 Ų133.276%0.76479%0.785SS**  trans-121.9118.1165.2178.40000107.2
794S28.4Very low27.7Very low109 Ų109134.2 Ų134.276%0.76279%0.794SS**  trans-75.5128.1174480000110.1
795L29.1Very low27.6Very low172 Ų172134.3 Ų134.390%0.90180%0.797SS**  trans-90.2105.7163.8-73.1174.9000108.8
796D27.2Very low27.7Very low152 Ų152134.3 Ų134.381%0.81380%0.796SS**  trans-104.8103.2169.9-176.415.5000107.1G798D796-G798 VanDerWaalsContact C-N 3.31Å; D796-G798 PolarHBondContact O-N 3.46Å
797S31.9Very low27.4Very low101 Ų101134.5 Ų134.571%0.70680%0.795SS**  trans-85.866.2-166.259.60000112.5F799S797-F799 PolarHBondContact O-N 2.8Å
798G27.9Very low27.2Very low66 Ų66131.6 Ų131.668%0.6880%0.795SS**  trans-68.8116.9170.400000112.1D796 S800D796-G798 VanDerWaalsContact C-N 3.31Å; D796-G798 PolarHBondContact O-N 3.46Å; G798-S800 PolarHBondContact O-N 3.19Å
799F26.3Very low26.5Very low209 Ų209135.8 Ų135.892%0.91781%0.805SS**  trans-70.9113.4177.2-72.1-92.1000111.7S797S797-F799 PolarHBondContact O-N 2.8Å
800S26.1Very low26.6Very low103 Ų103132.2 Ų132.272%0.7280%0.798SS**  trans-98.2109.3169.969.90000111.6G798 I802G798-S800 PolarHBondContact O-N 3.19Å; S800-I802 PolarHBondContact O-N 2.81Å
801S24.9Very low26.8Very low118 Ų118134.7 Ų134.783%0.82581%0.805SS**  trans-81.9110.216956.40000110.7
802I26.5Very low27.5Very low150 Ų150130.6 Ų130.677%0.76980%0.799SS**  trans-111.1120169.8-62.5-179.8000108.4S800S800-I802 PolarHBondContact O-N 2.81Å
803C25Very low27.5Very low114 Ų114129.2 Ų129.277%0.7780%0.795SS**  trans-69.6138.3179.4-56.40000111.3
804P28.6Very low27.6Very low132 Ų132131.2 Ų131.286%0.85780%0.795SS**  trans-75.4136.2172.531.3-33.7000110.7
805M25.2Very low27.5Very low195 Ų195131.6 Ų131.696%0.96180%0.797SS**  trans-147.9130.5168.7-170.4174.8-17200112.3
806G26.5Very low27.9Very low68 Ų68129.2 Ų129.270%0.70179%0.793SS**  trans123.692.1147.100000117.7
807T25.4Very low27.9Very low134 Ų134129.8 Ų129.882%0.82279%0.794SS**  trans-136.180.6150.228.10000110.2
808C24.3Very low27.7Very low130 Ų130130.2 Ų130.288%0.87880%0.797SS**  trans-13796170-79.90000110.2
809H23.8Very low28.1Very low186 Ų186132.3 Ų132.386%0.86180%0.8SS**  trans-81.1146.9162.4-61.6-63.1000109.1
810A26.9Very low28.2Very low76 Ų76129.7 Ų129.763%0.62879%0.79SS**  cis-167.9171.9-12.400000111.4
811I28.7Very low28.3Very low166 Ų166132.4 Ų132.485%0.85179%0.791SS**  trans83.5145149.5-79.6159.6000119.4
812P42.2Very low28.7Very low114 Ų114135.3 Ų135.374%0.7479%0.791SS**  trans-134.3169.1-153.842.1-23.4000117.3
813A26.6Very low29.3Very low92 Ų92132.8 Ų132.876%0.7678%0.784SS**  trans-178.2157.2158.200000110.4
814H28.5Very low29.5Very low168 Ų168135.4 Ų135.478%0.77879%0.785SS**  cis-166.2148.8-31.3-128.9-78.4000108.4
815C26.6Very low29.5Very low118 Ų118135 Ų13580%0.79778%0.783SS**  trans62.8137.6161.7-60.30000120.6
816C36Very low29.8Very low122 Ų122134.7 Ų134.782%0.82478%0.78SS**  trans-75.9150.8162.8-44.70000111
817I27.6Very low30.2Very low163 Ų163134.8 Ų134.884%0.83678%0.78SS**  trans-163.8142.4146.2-115.4160.4000113.7
818C28.6Very low30.4Very low111 Ų111136.8 Ų136.875%0.7578%0.78SS**  trans55.6134.3161.1-67.60000123.2
819C36.6Very low30.8Very low110 Ų110139.6 Ų139.674%0.74377%0.772SS**  trans-48.8161.9150.9-37.90000112.9
820H27.6Very low31.1Very low154 Ų154138.5 Ų138.571%0.71377%0.768SS**  -174146117-97.7-70.7000112.6
821H27.6Very low31.2Very low159 Ų159140.3 Ų140.374%0.73678%0.775SS**  trans38.8110.9155.3-57-56000121.8
822H34.3Very low31.9Very low180 Ų180138.6 Ų138.683%0.83378%0.775SS**  trans-67.2153.2131.6-113.838000109.7
823P38.9Very low31.3Very low97 Ų97136.5 Ų136.563%0.6378%0.775SS**  -149165.2103.841.7-27.4000116.9
824H28.2Very low32Very low169 Ų169138 Ų13878%0.78278%0.776SS**  trans65.6103.5158.1-58.5-50.4000120.5
825C30.1Very low32.2Very low122 Ų122139 Ų13982%0.82478%0.781SS**  trans-131.6137.3132.4-87.60000110.1
826H31.9Very low32.5Very low190 Ų190139.5 Ų139.588%0.8878%0.783SS**  trans85.1139.7178.9-66.8-80.7000119.5
827G33.2Very low32.2Very low69 Ų69139.2 Ų139.271%0.71178%0.782SS**  trans-114.5176.6178.100000112.6
828E30.1Very low32.4Very low177 Ų177137.8 Ų137.883%0.82778%0.781SS**  trans63.985.6170-58.2-141.190.300118.9
829R33.8Very low32.3Very low189 Ų189137.2 Ų137.271%0.71378%0.777SS**  74.7118.4116.1-86.5-178166.5-94-1121
830Q30.3Very low32.4Very low163 Ų163143.2 Ų143.276%0.76278%0.784SS**  trans95.8117.1139.3-65.3171.5122.400118.5
831S29Very low32.7Very low113 Ų113143.3 Ų143.379%0.7979%0.785SS**  trans-84.3-177.3170.3-22.70000111.1
832P42.6Very low33.1Very low130 Ų130139.9 Ų139.984%0.84478%0.777SS**  cis-130.3163.5-8.638.4-23000114.7
833G28.3Very low33.2Very low71 Ų71139.6 Ų139.673%0.73278%0.781SS**  trans-166.7145.616800000111.7
834P42.9Very low33.4Very low122 Ų122139.9 Ų139.979%0.79278%0.784SS**  trans-90.7158.6-176.835.9-35.2000114.2
835E31.3Very low34.2Very low189 Ų189136.9 Ų136.988%0.88378%0.782SS**  trans57.4111.2166.2-62-163.9135.700120.1
836P32.7Very low34.8Very low129 Ų129137.9 Ų137.984%0.83878%0.779SS**  trans-86.5144.7151.334.9-30.3000111.4
837S31.7Very low35.6Very low116 Ų116133.2 Ų133.281%0.81176%0.764SS**  trans-72.5143.1-174.452.60000114.7C839S837-C839 PolarHBondContact O-N 3.48Å
838V29.8Very low36.4Very low133 Ų133131.9 Ų131.981%0.80675%0.75SS**  trans-70.9106.3169.8177.80000110.4R840V838-R840 PolarHBondContact O-N 3.47Å; V838-R840 VanDerWaalsContact O-N 3.1Å
839C27.7Very low37.6Very low99 Ų99129.6 Ų129.667%0.66974%0.739SS**  trans-76.492.4173.1-170.60000111S837 H841S837-C839 PolarHBondContact O-N 3.48Å; C839-H841 PolarHBondContact O-N 3.32Å; C839-H841 VanDerWaalsContact SG-CD2 3.54Å
840R39.1Very low38.6Very low237 Ų237127.3 Ų127.389%0.89474%0.737SS**  trans-79.898.6164-87.7-172.3171-177.1-1.2109.4V838V838-R840 PolarHBondContact O-N 3.47Å; V838-R840 VanDerWaalsContact O-N 3.1Å
841H33.4Very low40.2Very low156 Ų156125.9 Ų125.972%0.72273%0.73SS**  trans-108.9112.9167.5-102.6-49.6000112.8C839C839-H841 PolarHBondContact O-N 3.32Å; C839-H841 VanDerWaalsContact SG-CD2 3.54Å
842C36.8Very low42.2Very low86 Ų86123.3 Ų123.358%0.58172%0.715SS**  trans43.397.8143.2-53.30000119.2C844C842-C844 VanDerWaalsContact C-N 3.34Å
843L36.3Very low43.5Very low174 Ų174122.2 Ų122.291%0.91170%0.699SS**SBendtrans-97.726.8154.2-75.3172.5000111.9
844C42.7Very low45.7Very low103 Ų103125 Ų12570%0.69669%0.692SS**  trans-105.22.6-167.1-54.30000114.7C842C842-C844 VanDerWaalsContact C-N 3.34Å
845S44.4Very low47.3Very low106 Ų106124.2 Ų124.274%0.74168%0.678SS**SBendtrans-100.1-4.9-173-540000114.8
846L42.8Very low49.4Very low143 Ų143119.7 Ų119.775%0.74966%0.664SS**SBendtrans-94.6-32.9-174.8-166.763.7000113.2
847T48.2Very low51.4Low92 Ų92117.2 Ų117.256%0.56465%0.647SS**Hα-helixtrans-65.9-48.4-178.916.40000112.8H849 Q850 E851T847-H849 VanDerWaalsContact C-N 3.27Å; T847-H849 PolarHBondContact O-N 3Å; T847-Q850 PolarHBondContact O-N 3.12Å; T847-E851 PolarHBondContact O-N 3.22Å
848G50.2Low53.6Low42 Ų42114.6 Ų114.643%0.43362%0.623SS.*Hα-helixtrans-62-29-174.300000114.6A852G848-A852 VanDerWaalsContact O-CB 3.27Å; G848-A852 WeakPolarHBondContact O-CB 3.43Å; G848-A852 PolarHBondContact O-N 3.37Å
849H55.8Low55.9Low128 Ų128114 Ų11459%0.59361%0.61SS**Hα-helixtrans-68.8-41.3172.4-173.3-59.2000111.3T847 Q853T847-H849 VanDerWaalsContact C-N 3.27Å; T847-H849 PolarHBondContact O-N 3Å; H849-Q853 PolarHBondContact CE1-OE1 2.93Å; H849-Q853 PolarHBondContact ND1-OE1 2.79Å; H849-Q853 WeakPolarHBondContact O-CB 3.35Å; H849-Q853 PolarHBondContact O-N 3.19Å
850Q54.1Low58.2Low141 Ų141111.8 Ų111.866%0.65960%0.599SS**Hα-helixtrans-72.1-34.6-177.7-159.7165.929.300111.6T847 F854T847-Q850 PolarHBondContact O-N 3.12Å; Q850-F854 VanDerWaalsContact O-CB 3.32Å; Q850-F854 WeakPolarHBondContact O-CB 3.4Å; Q850-F854 PolarHBondContact O-N 3.39Å
851E64.6Low59.8Low134 Ų134105.3 Ų105.363%0.62658%0.581SS**Hα-helixtrans-68.9-45.6173.9-169161.8-14000112.1T847 Q853 F854 M855T847-E851 PolarHBondContact O-N 3.22Å; E851-Q853 VanDerWaalsContact C-N 3.33Å; E851-Q853 PolarHBondContact O-N 3.14Å; E851-F854 WeakPolarHBondContact O-CB 3.43Å; E851-F854 PolarHBondContact O-N 2.84Å; E851-M855 WeakPolarHBondContact O-CG 3.35Å; E851-M855 PolarHBondContact O-N 3.15Å
852A70.6Confident61.5Low58 Ų5899.4 Ų99.448%0.47955%0.554SS.*Hα-helixtrans-64-35.7172.800000112.9G848 M855 T856G848-A852 VanDerWaalsContact O-CB 3.27Å; G848-A852 WeakPolarHBondContact O-CB 3.43Å; G848-A852 PolarHBondContact O-N 3.37Å; A852-M855 PolarHBondContact O-N 3.05Å; A852-T856 WeakPolarHBondContact O-CG2 3.21Å; A852-T856 PolarHBondContact O-N 3.32Å; A852-T856 PolarHBondContact O-OG1 3.05Å
853Q69.5Low63Low107 Ų10799.1 Ų99.150%0.555%0.547SS..Hα-helixtrans-73.4-32.8177.2-168.4168.518.300111.8H849 E851 T856 T857H849-Q853 PolarHBondContact CE1-OE1 2.93Å; H849-Q853 PolarHBondContact ND1-OE1 2.79Å; H849-Q853 WeakPolarHBondContact O-CB 3.35Å; H849-Q853 PolarHBondContact O-N 3.19Å; E851-Q853 VanDerWaalsContact C-N 3.33Å; E851-Q853 PolarHBondContact O-N 3.14Å; Q853-T856 WeakPolarHBondContact CA-OG1 3.39Å; Q853-T856 PolarHBondContact O-OG1 3.38Å; Q853-T857 WeakPolarHBondContact O-CB 3.46Å; Q853-T857 PolarHBondContact O-N 3.43Å; Q853-T857 VanDerWaalsContact O-N 3.16Å; Q853-T857 PolarHBondContact O-OG1 3.03Å
854F74.4Confident64.9Low131 Ų13192.7 Ų92.758%0.57552%0.515SS*.Hα-helixtrans-65.5-48169.6177.9-111.2000110.6Q850 E851 T856 T857 L858Q850-F854 VanDerWaalsContact O-CB 3.32Å; Q850-F854 WeakPolarHBondContact O-CB 3.4Å; Q850-F854 PolarHBondContact O-N 3.39Å; E851-F854 WeakPolarHBondContact O-CB 3.43Å; E851-F854 PolarHBondContact O-N 2.84Å; F854-T856 PolarHBondContact O-N 3.32Å; F854-T857 WeakPolarHBondContact O-CB 3.35Å; F854-T857 PolarHBondContact O-N 2.9Å; F854-L858 HydrophobicContact CD1-CD1 4.4Å; F854-L858 HydrophobicContact CE1-CD1 3.66Å; F854-L858 HydrophobicContact CE2-CD1 4.45Å; F854-L858 HydrophobicContact CZ-CD1 3.68Å; F854-L858 HydrophobicContact CZ-CG 4.43Å; F854-L858 WeakPolarHBondContact O-CB 3.32Å; F854-L858 PolarHBondContact O-N 3.39Å
855M77.7Confident66Low104 Ų10490.6 Ų90.651%0.51250%0.498SS..Hα-helixtrans-66.8-36.4-179.2-71.1-92.158.900114E851 A852 T857 L858 K859E851-M855 WeakPolarHBondContact O-CG 3.35Å; E851-M855 PolarHBondContact O-N 3.15Å; A852-M855 PolarHBondContact O-N 3.05Å; M855-T857 VanDerWaalsContact C-N 3.35Å; M855-L858 HydrophobicContact CE-CB 3.93Å; M855-L858 HydrophobicContact CE-CD1 3.73Å; M855-L858 HydrophobicContact CE-CG 4.48Å; M855-L858 PolarHBondContact O-N 3.18Å; M855-K859 WeakPolarHBondContact O-CB 3.28Å; M855-K859 PolarHBondContact O-N 2.89Å
856T74.1Confident67Low94 Ų9486.9 Ų86.958%0.57747%0.471SS*.Hα-helixtrans-67.7-35.1171.846.40000112.1A852 Q853 F854 A860A852-T856 WeakPolarHBondContact O-CG2 3.21Å; A852-T856 PolarHBondContact O-N 3.32Å; A852-T856 PolarHBondContact O-OG1 3.05Å; Q853-T856 WeakPolarHBondContact CA-OG1 3.39Å; Q853-T856 PolarHBondContact O-OG1 3.38Å; F854-T856 PolarHBondContact O-N 3.32Å; T856-A860 WeakPolarHBondContact O-CB 3.31Å; T856-A860 PolarHBondContact O-N 3.32Å
857T76Confident68.2Low78 Ų7887.9 Ų87.948%0.47947%0.465SS..Hα-helixtrans-68.4-42.3173.4-54.50000111.3Q853 F854 M855 A860 L861Q853-T857 WeakPolarHBondContact O-CB 3.46Å; Q853-T857 PolarHBondContact O-N 3.43Å; Q853-T857 VanDerWaalsContact O-N 3.16Å; Q853-T857 PolarHBondContact O-OG1 3.03Å; F854-T857 WeakPolarHBondContact O-CB 3.35Å; F854-T857 PolarHBondContact O-N 2.9Å; M855-T857 VanDerWaalsContact C-N 3.35Å; T857-A860 PolarHBondContact O-N 3Å; T857-L861 WeakPolarHBondContact O-CB 3.38Å; T857-L861 PolarHBondContact O-N 3.4Å
858L76.7Confident69Low60 Ų6089 Ų8931%0.31446%0.464SS..Hα-helixtrans-64.2-42.7177.1-124.8174.9000111.4F854 M855 L861 Q862F854-L858 HydrophobicContact CD1-CD1 4.4Å; F854-L858 HydrophobicContact CE1-CD1 3.66Å; F854-L858 HydrophobicContact CE2-CD1 4.45Å; F854-L858 HydrophobicContact CZ-CD1 3.68Å; F854-L858 HydrophobicContact CZ-CG 4.43Å; F854-L858 WeakPolarHBondContact O-CB 3.32Å; F854-L858 PolarHBondContact O-N 3.39Å; M855-L858 HydrophobicContact CE-CB 3.93Å; M855-L858 HydrophobicContact CE-CD1 3.73Å; M855-L858 HydrophobicContact CE-CG 4.48Å; M855-L858 PolarHBondContact O-N 3.18Å; L858-L861 WeakPolarHBondContact O-CB 3.36Å; L858-L861 PolarHBondContact O-N 2.99Å; L858-Q862 PolarHBondContact O-N 3.5Å
859K79.5Confident69.6Low121 Ų12192.6 Ų92.653%0.52647%0.473SS..Hα-helixtrans-63.6-43.1173.6-175.9167.7-177.8169.50111.9M855 L861 Q862 D863M855-K859 WeakPolarHBondContact O-CB 3.28Å; M855-K859 PolarHBondContact O-N 2.89Å; K859-L861 VanDerWaalsContact C-N 3.25Å; K859-L861 PolarHBondContact O-N 2.93Å; K859-Q862 WeakPolarHBondContact O-CB 3.37Å; K859-Q862 PolarHBondContact O-N 3.12Å; K859-Q862 VanDerWaalsContact O-N 3.16Å; K859-D863 WeakPolarHBondContact O-CB 3.45Å; K859-D863 VanDerWaalsContact O-CG 3.27Å; K859-D863 PolarHBondContact O-N 3.36Å
860A75.3Confident69.9Low53 Ų5387.7 Ų87.744%0.43845%0.453SS..Hα-helixtrans-62.3-32.6174.200000112.8T856 T857 T864T856-A860 WeakPolarHBondContact O-CB 3.31Å; T856-A860 PolarHBondContact O-N 3.32Å; T857-A860 PolarHBondContact O-N 3Å; A860-T864 WeakPolarHBondContact O-CB 3.17Å; A860-T864 WeakPolarHBondContact O-CG2 3.33Å; A860-T864 PolarHBondContact O-N 2.97Å; A860-T864 PolarHBondContact O-OG1 3.43Å
861L71.8Confident70.4Confident100 Ų10083.9 Ų83.952%0.52444%0.442SS..Hα-helixtrans-70.7-37.1172.8-107159000112.8T857 L858 K859 T864 T865T857-L861 WeakPolarHBondContact O-CB 3.38Å; T857-L861 PolarHBondContact O-N 3.4Å; L858-L861 WeakPolarHBondContact O-CB 3.36Å; L858-L861 PolarHBondContact O-N 2.99Å; K859-L861 VanDerWaalsContact C-N 3.25Å; K859-L861 PolarHBondContact O-N 2.93Å; L861-T864 WeakPolarHBondContact CA-OG1 3.46Å; L861-T864 PolarHBondContact O-OG1 3.34Å; L861-T865 WeakPolarHBondContact O-CB 3.42Å; L861-T865 WeakPolarHBondContact O-CG2 3.31Å; L861-T865 PolarHBondContact O-N 3.41Å; L861-T865 PolarHBondContact O-OG1 2.9Å
862Q69Low70.6Confident33 Ų3381 Ų8115%0.15444%0.435CS..Hα-helixtrans-68.1-46171.8-80.6176.6-24.400111.6L858 K859 T864 T865 V866 L953 L956 T957L858-Q862 PolarHBondContact O-N 3.5Å; K859-Q862 WeakPolarHBondContact O-CB 3.37Å; K859-Q862 PolarHBondContact O-N 3.12Å; K859-Q862 VanDerWaalsContact O-N 3.16Å; Q862-T864 VanDerWaalsContact C-N 3.32Å; Q862-T864 PolarHBondContact O-N 2.59Å; Q862-T865 PolarHBondContact O-N 2.84Å; Q862-T865 PolarHBondContact O-OG1 3.4Å; Q862-V866 WeakPolarHBondContact O-CB 3.35Å; Q862-V866 WeakPolarHBondContact O-CG2 3.16Å; Q862-V866 PolarHBondContact O-N 2.85Å; Q862-L953 HydrophobicContact CB-CD1 3.79Å; Q862-L953 HydrophobicContact CG-CD1 4.1Å; Q862-L956 PolarHBondContact NE2-O 3.42Å; Q862-T957 VanDerWaalsContact OE1-CG2 3.28Å
863D70.3Confident71Confident80 Ų8081.4 Ų81.443%0.42843%0.432SS..Hα-helixtrans-65.6-32.1177.7-67.3-19.7000111.9K859 R867K859-D863 WeakPolarHBondContact O-CB 3.45Å; K859-D863 VanDerWaalsContact O-CG 3.27Å; K859-D863 PolarHBondContact O-N 3.36Å; D863-R867 WeakPolarHBondContact O-CB 3.47Å; D863-R867 PolarHBondContact O-N 3.49Å
864T75Confident71.8Confident39 Ų3976.6 Ų76.624%0.23941%0.41CS..Hα-helixtrans-71.5-50.917137.30000112.1A860 L861 Q862 V866 R867 E868A860-T864 WeakPolarHBondContact O-CB 3.17Å; A860-T864 WeakPolarHBondContact O-CG2 3.33Å; A860-T864 PolarHBondContact O-N 2.97Å; A860-T864 PolarHBondContact O-OG1 3.43Å; L861-T864 WeakPolarHBondContact CA-OG1 3.46Å; L861-T864 PolarHBondContact O-OG1 3.34Å; Q862-T864 VanDerWaalsContact C-N 3.32Å; Q862-T864 PolarHBondContact O-N 2.59Å; T864-V866 PolarHBondContact O-N 2.95Å; T864-R867 WeakPolarHBondContact O-CB 3.23Å; T864-R867 PolarHBondContact O-N 2.86Å; T864-E868 WeakPolarHBondContact O-CB 3.19Å; T864-E868 WeakPolarHBondContact O-CG 3.27Å; T864-E868 PolarHBondContact O-N 3.46Å
865T65.6Low72.4Confident58 Ų5876.2 Ų76.236%0.35641%0.409SS..Hα-helixtrans-65.9-36.3-178.649.40000113L861 Q862 E868 L869L861-T865 WeakPolarHBondContact O-CB 3.42Å; L861-T865 WeakPolarHBondContact O-CG2 3.31Å; L861-T865 PolarHBondContact O-N 3.41Å; L861-T865 PolarHBondContact O-OG1 2.9Å; Q862-T865 PolarHBondContact O-N 2.84Å; Q862-T865 PolarHBondContact O-OG1 3.4Å; T865-E868 PolarHBondContact O-N 3.05Å; T865-L869 VanDerWaalsContact O-CB 3.24Å; T865-L869 WeakPolarHBondContact O-CB 3.47Å; T865-L869 WeakPolarHBondContact O-CD1 3.31Å; T865-L869 WeakPolarHBondContact O-CG 3.49Å; T865-L869 PolarHBondContact O-N 2.99Å
866V66.2Low73Confident29 Ų2977 Ų7718%0.17641%0.412CS..Hα-helixtrans-65-43.1171.7164.10000111.5Q862 T864 C870 I949 L953Q862-V866 WeakPolarHBondContact O-CB 3.35Å; Q862-V866 WeakPolarHBondContact O-CG2 3.16Å; Q862-V866 PolarHBondContact O-N 2.85Å; T864-V866 PolarHBondContact O-N 2.95Å; V866-C870 VanDerWaalsContact O-CB 3.25Å; V866-C870 WeakPolarHBondContact O-CB 3.41Å; V866-C870 PolarHBondContact O-N 3.36Å; V866-C870 PolarHBondContact O-SG 3.48Å; V866-I949 HydrophobicContact CB-CG2 4.31Å; V866-I949 HydrophobicContact CG1-CG2 3.86Å; V866-I949 HydrophobicContact CG2-CG2 3.88Å; V866-L953 HydrophobicContact CG2-CB 4.28Å; V866-L953 HydrophobicContact CG2-CD1 3.45Å; V866-L953 VanDerWaalsContact CG2-CD1 3.45Å; V866-L953 HydrophobicContact CG2-CD2 3.99Å; V866-L953 HydrophobicContact CG2-CG 4.09Å
867R67.5Low73.8Confident164 Ų16473.2 Ų73.262%0.61939%0.388SS*.Hα-helixtrans-60-47.2174.9175.2170.652.9169.9-3.6111.2D863 T864 S871D863-R867 WeakPolarHBondContact O-CB 3.47Å; D863-R867 PolarHBondContact O-N 3.49Å; T864-R867 WeakPolarHBondContact O-CB 3.23Å; T864-R867 PolarHBondContact O-N 2.86Å; R867-S871 WeakPolarHBondContact O-CA 3.44Å; R867-S871 WeakPolarHBondContact O-CB 3.24Å; R867-S871 PolarHBondContact O-N 3.41Å; R867-S871 PolarHBondContact O-OG 2.94Å; R867-S871 VanDerWaalsContact O-OG 3.09Å
868E65.1Low74.5Confident115 Ų11573.4 Ų73.454%0.53738%0.383SS..Hα-helixtrans-65.8-48.7-179.3-73.9166.4-163.400112.1T864 T865 C870 S871T864-E868 WeakPolarHBondContact O-CB 3.19Å; T864-E868 WeakPolarHBondContact O-CG 3.27Å; T864-E868 PolarHBondContact O-N 3.46Å; T865-E868 PolarHBondContact O-N 3.05Å; E868-C870 PolarHBondContact O-N 3.33Å; E868-S871 WeakPolarHBondContact CA-OG 3.33Å; E868-S871 PolarHBondContact O-N 2.83Å; E868-S871 VanDerWaalsContact O-N 3.12Å; E868-S871 PolarHBondContact O-OG 3.28Å
869L63Low75.2Confident117 Ų11772.3 Ų72.361%0.61338%0.383SS*.Hα-helixtrans-65-35.3179.9-69.3168.6000113T865T865-L869 VanDerWaalsContact O-CB 3.24Å; T865-L869 WeakPolarHBondContact O-CB 3.47Å; T865-L869 WeakPolarHBondContact O-CD1 3.31Å; T865-L869 WeakPolarHBondContact O-CG 3.49Å; T865-L869 PolarHBondContact O-N 2.99Å
870C61.4Low75.9Confident26 Ų2671.3 Ų71.318%0.17638%0.381CS..Hα-helixtrans-69.9-44.5169.1-73.10000111.8V866 E868 C872 V874 I949V866-C870 VanDerWaalsContact O-CB 3.25Å; V866-C870 WeakPolarHBondContact O-CB 3.41Å; V866-C870 PolarHBondContact O-N 3.36Å; V866-C870 PolarHBondContact O-SG 3.48Å; E868-C870 PolarHBondContact O-N 3.33Å; C870-C872 VanDerWaalsContact C-N 3.29Å; C870-C872 PolarHBondContact O-N 3.06Å; C870-C872 VanDerWaalsContact O-N 3.14Å; C870-V874 HydrophobicContact CB-CG2 4.35Å; C870-V874 WeakPolarHBondContact O-CB 3.16Å; C870-V874 WeakPolarHBondContact O-CG2 3.28Å; C870-V874 PolarHBondContact O-N 2.7Å; C870-V874 VanDerWaalsContact O-N 3.11Å; C870-I949 VanDerWaalsContact SG-CD1 3.58Å
871S65.8Low76.8Confident61 Ų6171.6 Ų71.643%0.42737%0.373SS..Hα-helixtrans-65.7-18.5-164.363.80000116.7R867 E868 H875R867-S871 WeakPolarHBondContact O-CA 3.44Å; R867-S871 WeakPolarHBondContact O-CB 3.24Å; R867-S871 PolarHBondContact O-N 3.41Å; R867-S871 PolarHBondContact O-OG 2.94Å; R867-S871 VanDerWaalsContact O-OG 3.09Å; E868-S871 WeakPolarHBondContact CA-OG 3.33Å; E868-S871 PolarHBondContact O-N 2.83Å; E868-S871 VanDerWaalsContact O-N 3.12Å; E868-S871 PolarHBondContact O-OG 3.28Å; S871-H875 WeakPolarHBondContact O-CB 3.16Å
872C68Low77.8Confident73 Ų7370.9 Ų70.949%0.49337%0.373SS..THydrogen-bonded Turntrans-89-76.9171.7-58.40000110C870 V874 H875 E876C870-C872 VanDerWaalsContact C-N 3.29Å; C870-C872 PolarHBondContact O-N 3.06Å; C870-C872 VanDerWaalsContact O-N 3.14Å; C872-V874 PolarHBondContact O-N 2.99Å; C872-H875 PolarHBondContact O-N 3.01Å; C872-H875 VanDerWaalsContact O-N 3.1Å; C872-E876 WeakPolarHBondContact O-CG 3.48Å; C872-E876 PolarHBondContact O-N 3.47Å
873T80.1Confident79.1Confident67 Ų6774 Ų7441%0.41139%0.39SS..Hα-helixtrans-63.9-32.5-168.162.80000115M877T873-M877 VanDerWaalsContact O-CG 3.27Å; T873-M877 WeakPolarHBondContact O-CG 3.29Å; T873-M877 PolarHBondContact O-N 3.34Å
874V86.1Confident80.3Confident6 Ų670.8 Ų70.84%0.03637%0.373CS..Hα-helixtrans-75.9-40.4176.5-176.60000110.2C870 C872 M877 E878 A942 I945 R946C870-V874 HydrophobicContact CB-CG2 4.35Å; C870-V874 WeakPolarHBondContact O-CB 3.16Å; C870-V874 WeakPolarHBondContact O-CG2 3.28Å; C870-V874 PolarHBondContact O-N 2.7Å; C870-V874 VanDerWaalsContact O-N 3.11Å; C872-V874 PolarHBondContact O-N 2.99Å; V874-M877 PolarHBondContact O-N 3.17Å; V874-E878 WeakPolarHBondContact O-CG 3.34Å; V874-E878 PolarHBondContact O-N 2.83Å; V874-A942 HydrophobicContact CG1-CB 4.21Å; V874-I945 HydrophobicContact CG2-CB 4.17Å; V874-I945 HydrophobicContact CG2-CG2 3.58Å; V874-R946 HydrophobicContact CB-CG 4.48Å; V874-R946 HydrophobicContact CG1-CG 3.64Å; V874-R946 HydrophobicContact CG2-CG 4.07Å
875H86.9Confident81.2Confident122 Ų12272.3 Ų72.357%0.56538%0.377SS*.Hα-helixtrans-69.3-40.6-179-171.549.9000112.1S871 C872 M877 E878 A879S871-H875 WeakPolarHBondContact O-CB 3.16Å; C872-H875 PolarHBondContact O-N 3.01Å; C872-H875 VanDerWaalsContact O-N 3.1Å; H875-M877 VanDerWaalsContact C-N 3.25Å; H875-M877 PolarHBondContact O-N 3.39Å; H875-E878 PolarHBondContact O-N 3.14Å; H875-A879 WeakPolarHBondContact O-CB 3.37Å; H875-A879 PolarHBondContact O-N 3.07Å
876E89.4Confident82.6Confident120 Ų12072.5 Ų72.556%0.56138%0.381SS*.Hα-helixtrans-55.2-42.2170.6-73.3164.8-179.900111.4C872 M880C872-E876 WeakPolarHBondContact O-CG 3.48Å; C872-E876 PolarHBondContact O-N 3.47Å; E876-M880 WeakPolarHBondContact O-CB 3.45Å; E876-M880 PolarHBondContact O-N 3.31Å
877M90.6Very high84Confident16 Ų1675.5 Ų75.58%0.07939%0.392CS..Hα-helixtrans-72.8-36.4177.9-74.4-175.972.300113.5T873 V874 H875 M880 K881 L938 R941 A942 I945T873-M877 VanDerWaalsContact O-CG 3.27Å; T873-M877 WeakPolarHBondContact O-CG 3.29Å; T873-M877 PolarHBondContact O-N 3.34Å; V874-M877 PolarHBondContact O-N 3.17Å; H875-M877 VanDerWaalsContact C-N 3.25Å; H875-M877 PolarHBondContact O-N 3.39Å; M877-M880 PolarHBondContact O-N 3.06Å; M877-K881 WeakPolarHBondContact O-CB 3.47Å; M877-K881 PolarHBondContact O-N 3.45Å; M877-L938 HydrophobicContact CE-CD2 4.12Å; M877-L938 VanDerWaalsContact CE-O 3.3Å; M877-L938 WeakPolarHBondContact CE-O 3.4Å; M877-R941 HydrophobicContact CE-CB 3.59Å; M877-R941 HydrophobicContact CE-CG 3.61Å; M877-R941 HydrophobicContact SD-CG 4.32Å; M877-R941 PolarHBondContact SD-NH1 3.12Å; M877-A942 HydrophobicContact CB-CB 3.95Å; M877-A942 HydrophobicContact CE-CB 4.27Å; M877-A942 HydrophobicContact SD-CB 4.46Å; M877-I945 HydrophobicContact SD-CD1 3.88Å
878E90.9Very high85.3Confident81 Ų8170.1 Ų70.138%0.37937%0.372SS..Hα-helixtrans-69.1-37.3173.3-73.4-177.1149.500111.9V874 H875 K881 T882 A942 R946V874-E878 WeakPolarHBondContact O-CG 3.34Å; V874-E878 PolarHBondContact O-N 2.83Å; H875-E878 PolarHBondContact O-N 3.14Å; E878-K881 VanDerWaalsContact O-CB 3.32Å; E878-K881 WeakPolarHBondContact O-CB 3.45Å; E878-K881 PolarHBondContact O-N 3.19Å; E878-T882 PolarHBondContact O-N 3.2Å; E878-T882 PolarHBondContact O-OG1 2.83Å; E878-A942 HydrophobicContact CG-CB 4.46Å; E878-R946 IonicContact OE1-CZ 2.69Å; E878-R946 IonicContact OE1-NH1 3.72Å; E878-R946 PolarHBondContact OE1-NH1 3.02Å; E878-R946 IonicContact OE1-NH2 3.42Å
879A91.8Very high86.7Confident37 Ų3769.3 Ų69.331%0.30637%0.368SS..Hα-helixtrans-62.2-48.1170.700000110.7H875 K881 T882 I883H875-A879 WeakPolarHBondContact O-CB 3.37Å; H875-A879 PolarHBondContact O-N 3.07Å; A879-K881 VanDerWaalsContact C-N 3.26Å; A879-K881 PolarHBondContact O-N 3.35Å; A879-T882 PolarHBondContact O-N 2.9Å; A879-T882 VanDerWaalsContact O-N 3.16Å; A879-T882 PolarHBondContact O-OG1 3.04Å; A879-I883 WeakPolarHBondContact O-CG1 3.21Å; A879-I883 PolarHBondContact O-N 3.38Å
880M93.4Very high88.2Confident100 Ų10070 Ų7049%0.49336%0.363SS..Hα-helixtrans-58.3-38.3174.1-160.77267.800111.9E876 M877 I883 C884 L938E876-M880 WeakPolarHBondContact O-CB 3.45Å; E876-M880 PolarHBondContact O-N 3.31Å; M877-M880 PolarHBondContact O-N 3.06Å; M880-I883 PolarHBondContact O-N 3.13Å; M880-C884 PolarHBondContact O-N 3.4Å; M880-C884 PolarHBondContact O-SG 2.9Å; M880-L938 HydrophobicContact CB-CD1 3.9Å; M880-L938 HydrophobicContact CB-CD2 4.16Å; M880-L938 HydrophobicContact CG-CD1 3.51Å; M880-L938 HydrophobicContact CG-CD2 4.03Å; M880-L938 HydrophobicContact CG-CG 4.44Å
881K95.1Very high89.7Confident60 Ų6070.1 Ų70.126%0.26136%0.362SS..Hα-helixtrans-60.8-50.4173.9-166.6-169.2-179.3-78.40111.4M877 E878 A879 I883 C884 Q885 E935 L938M877-K881 WeakPolarHBondContact O-CB 3.47Å; M877-K881 PolarHBondContact O-N 3.45Å; E878-K881 VanDerWaalsContact O-CB 3.32Å; E878-K881 WeakPolarHBondContact O-CB 3.45Å; E878-K881 PolarHBondContact O-N 3.19Å; A879-K881 VanDerWaalsContact C-N 3.26Å; A879-K881 PolarHBondContact O-N 3.35Å; K881-I883 VanDerWaalsContact C-N 3.3Å; K881-I883 PolarHBondContact O-N 2.88Å; K881-C884 PolarHBondContact O-N 3.26Å; K881-Q885 PolarHBondContact O-N 3.24Å; K881-E935 HydrophobicContact CD-CG 4.36Å; K881-E935 WeakPolarHBondContact CE-OE1 3.48Å; K881-E935 HydrophobicContact CG-CG 3.41Å; K881-E935 VanDerWaalsContact CG-CG 3.41Å; K881-E935 IonicContact NZ-OE1 2.85Å; K881-E935 PolarHBondContact NZ-OE1 3.48Å; K881-L938 HydrophobicContact CB-CB 4.32Å
882T93.4Very high90.9Very high85 Ų8571.8 Ų71.852%0.52136%0.363SS..Hα-helixtrans-65-33178.755.90000112.9E878 A879 Q885 S886E878-T882 PolarHBondContact O-N 3.2Å; E878-T882 PolarHBondContact O-OG1 2.83Å; A879-T882 PolarHBondContact O-N 2.9Å; A879-T882 VanDerWaalsContact O-N 3.16Å; A879-T882 PolarHBondContact O-OG1 3.04Å; T882-Q885 PolarHBondContact O-N 3.01Å; T882-S886 PolarHBondContact O-N 3.23Å; T882-S886 PolarHBondContact O-OG 3.05Å
883I96.3Very high92.2Very high99 Ų9974.4 Ų74.451%0.50837%0.368SS..Hα-helixtrans-63.7-49.2171.7-68.5164.6000110.1A879 M880 K881 Q885 S886 F887A879-I883 WeakPolarHBondContact O-CG1 3.21Å; A879-I883 PolarHBondContact O-N 3.38Å; M880-I883 PolarHBondContact O-N 3.13Å; K881-I883 VanDerWaalsContact C-N 3.3Å; K881-I883 PolarHBondContact O-N 2.88Å; I883-Q885 VanDerWaalsContact C-N 3.3Å; I883-Q885 PolarHBondContact O-N 3.46Å; I883-S886 PolarHBondContact O-N 2.93Å; I883-S886 PolarHBondContact O-OG 3.43Å; I883-F887 WeakPolarHBondContact O-CB 3.35Å; I883-F887 PolarHBondContact O-N 3.29Å
884C94.8Very high92.8Very high12 Ų1274.1 Ų74.18%0.08136%0.363CS..Hα-helixtrans-59.3-39.8176.6-65.20000112.4M880 K881 F887 R888 V931 E935M880-C884 PolarHBondContact O-N 3.4Å; M880-C884 PolarHBondContact O-SG 2.9Å; K881-C884 PolarHBondContact O-N 3.26Å; C884-F887 PolarHBondContact O-N 2.83Å; C884-R888 PolarHBondContact O-N 3.42Å; C884-V931 HydrophobicContact CB-CG1 4.26Å; C884-V931 WeakPolarHBondContact O-CG1 3.3Å; C884-E935 HydrophobicContact CB-CB 4.07Å; C884-E935 HydrophobicContact CB-CG 4.35Å
885Q94.1Very high93Very high70 Ų7074.6 Ų74.633%0.32737%0.365SS..Hα-helixtrans-59.5-54.9173.8175.2166.4-2.100111.5K881 T882 I883 F887 R888 E889 E935K881-Q885 PolarHBondContact O-N 3.24Å; T882-Q885 PolarHBondContact O-N 3.01Å; I883-Q885 VanDerWaalsContact C-N 3.3Å; I883-Q885 PolarHBondContact O-N 3.46Å; Q885-F887 VanDerWaalsContact C-N 3.25Å; Q885-F887 PolarHBondContact O-N 3.38Å; Q885-R888 PolarHBondContact O-N 2.96Å; Q885-R888 VanDerWaalsContact O-N 3.13Å; Q885-E889 WeakPolarHBondContact CG-OE1 3.43Å; Q885-E889 PolarHBondContact NE2-OE1 3.03Å; Q885-E889 WeakPolarHBondContact O-CG 3.48Å; Q885-E889 PolarHBondContact O-N 3.38Å; Q885-E935 WeakPolarHBondContact CA-OE2 3.27Å; Q885-E935 WeakPolarHBondContact CB-OE2 3.16Å
886S94.8Very high93.1Very high62 Ų6274.7 Ų74.743%0.43437%0.366SS..Hα-helixtrans-60.9-33.3179.768.20000113.1T882 I883 Y890T882-S886 PolarHBondContact O-N 3.23Å; T882-S886 PolarHBondContact O-OG 3.05Å; I883-S886 PolarHBondContact O-N 2.93Å; I883-S886 PolarHBondContact O-OG 3.43Å; S886-Y890 WeakPolarHBondContact O-CB 3.47Å; S886-Y890 PolarHBondContact O-N 3.36Å
887F95.7Very high93.2Very high92 Ų9274.3 Ų74.340%0.40436%0.364SS..Hα-helixtrans-70.1-38.7176.3-179.3-120.8000112.3I883 C884 Q885 Y890 L891 V931I883-F887 WeakPolarHBondContact O-CB 3.35Å; I883-F887 PolarHBondContact O-N 3.29Å; C884-F887 PolarHBondContact O-N 2.83Å; Q885-F887 VanDerWaalsContact C-N 3.25Å; Q885-F887 PolarHBondContact O-N 3.38Å; F887-Y890 PolarHBondContact O-N 3.43Å; F887-L891 HydrophobicContact CD1-CD1 4.13Å; F887-L891 HydrophobicContact CE1-CD1 3.68Å; F887-L891 HydrophobicContact CE1-CG 4.31Å; F887-L891 HydrophobicContact CE2-CD1 4.4Å; F887-L891 HydrophobicContact CE2-CD2 4.3Å; F887-L891 HydrophobicContact CE2-CG 4.15Å; F887-L891 HydrophobicContact CZ-CD1 3.82Å; F887-L891 HydrophobicContact CZ-CD2 4.15Å; F887-L891 HydrophobicContact CZ-CG 4.04Å; F887-L891 WeakPolarHBondContact O-CG 3.39Å; F887-L891 PolarHBondContact O-N 3.22Å; F887-V931 HydrophobicContact CD1-CG1 4.01Å; F887-V931 HydrophobicContact CD1-CG2 3.68Å; F887-V931 HydrophobicContact CE1-CG2 3.69Å
888R94.6Very high93.1Very high52 Ų5276.1 Ų76.120%0.19637%0.374CS..Hα-helixtrans-64.9-45.5172.4179.6-176.858.3-101.7-2.4111.5C884 Q885 Y890 L891 E892 V931 E935C884-R888 PolarHBondContact O-N 3.42Å; Q885-R888 PolarHBondContact O-N 2.96Å; Q885-R888 VanDerWaalsContact O-N 3.13Å; R888-Y890 VanDerWaalsContact C-N 3.27Å; R888-Y890 PolarHBondContact O-N 3.29Å; R888-L891 PolarHBondContact O-N 2.69Å; R888-L891 VanDerWaalsContact O-N 3.15Å; R888-E892 PolarHBondContact O-N 2.69Å; R888-V931 HydrophobicContact CB-CG1 3.94Å; R888-E935 IonicContact CZ-OE2 3.58Å; R888-E935 IonicContact NH1-OE2 2.84Å; R888-E935 PolarHBondContact NH1-OE2 2.91Å; R888-E935 IonicContact NH2-OE2 3.55Å; R888-E935 PolarHBondContact NH2-OE2 3.04Å
889E94.1Very high92.8Very high98 Ų9876.9 Ų76.946%0.45838%0.378SS..Hα-helixtrans-58.8-41.2178.4-70.5165.9-17400110.8Q885 E892 E893Q885-E889 WeakPolarHBondContact CG-OE1 3.43Å; Q885-E889 PolarHBondContact NE2-OE1 3.03Å; Q885-E889 WeakPolarHBondContact O-CG 3.48Å; Q885-E889 PolarHBondContact O-N 3.38Å; E889-E892 PolarHBondContact O-N 2.88Å; E889-E893 PolarHBondContact O-N 2.8Å
890Y94.8Very high92.5Very high132 Ų13277 Ų7752%0.51838%0.382SS..Hα-helixtrans-68.3-37.9173.6-177.6-120.9000114S886 F887 R888 E892 E893 I894S886-Y890 WeakPolarHBondContact O-CB 3.47Å; S886-Y890 PolarHBondContact O-N 3.36Å; F887-Y890 PolarHBondContact O-N 3.43Å; R888-Y890 VanDerWaalsContact C-N 3.27Å; R888-Y890 PolarHBondContact O-N 3.29Å; Y890-E892 VanDerWaalsContact C-N 3.3Å; Y890-E892 PolarHBondContact O-N 3.35Å; Y890-E893 PolarHBondContact O-N 2.93Å; Y890-I894 HydrophobicContact CD1-CD1 3.9Å; Y890-I894 HydrophobicContact CD2-CD1 4.43Å; Y890-I894 HydrophobicContact CE1-CD1 3.49Å; Y890-I894 VanDerWaalsContact CE1-CD1 3.49Å; Y890-I894 HydrophobicContact CE2-CD1 4.06Å; Y890-I894 HydrophobicContact CE2-CG1 4.28Å; Y890-I894 HydrophobicContact CG-CD1 4.36Å; Y890-I894 WeakPolarHBondContact O-CG1 3.14Å; Y890-I894 PolarHBondContact O-N 2.94Å
891L92.7Very high92.1Very high28 Ų2876.6 Ų76.615%0.14738%0.38CS..Hα-helixtrans-63.3-36.9172.2-76.2175.7000111.8F887 R888 E895 L927 R928 V931F887-L891 HydrophobicContact CD1-CD1 4.13Å; F887-L891 HydrophobicContact CE1-CD1 3.68Å; F887-L891 HydrophobicContact CE1-CG 4.31Å; F887-L891 HydrophobicContact CE2-CD1 4.4Å; F887-L891 HydrophobicContact CE2-CD2 4.3Å; F887-L891 HydrophobicContact CE2-CG 4.15Å; F887-L891 HydrophobicContact CZ-CD1 3.82Å; F887-L891 HydrophobicContact CZ-CD2 4.15Å; F887-L891 HydrophobicContact CZ-CG 4.04Å; F887-L891 WeakPolarHBondContact O-CG 3.39Å; F887-L891 PolarHBondContact O-N 3.22Å; R888-L891 PolarHBondContact O-N 2.69Å; R888-L891 VanDerWaalsContact O-N 3.15Å; L891-E895 WeakPolarHBondContact O-CB 3.45Å; L891-E895 PolarHBondContact O-N 3.35Å; L891-L927 HydrophobicContact CD1-CD2 3.94Å; L891-L927 HydrophobicContact CD1-CG 4Å; L891-L927 HydrophobicContact CD2-CD2 4.12Å; L891-R928 HydrophobicContact CB-CG 4.05Å; L891-R928 HydrophobicContact CD1-CG 4.23Å; L891-V931 HydrophobicContact CD1-CG2 4.34Å
892E92.6Very high91.6Very high95 Ų9576.8 Ų76.844%0.44438%0.381SS..Hα-helixtrans-68.8-42.7177.3-164.6178.4153.600111.6R888 E889 Y890 I894 E895 Q896R888-E892 PolarHBondContact O-N 2.69Å; E889-E892 PolarHBondContact O-N 2.88Å; Y890-E892 VanDerWaalsContact C-N 3.3Å; Y890-E892 PolarHBondContact O-N 3.35Å; E892-I894 PolarHBondContact O-N 3.16Å; E892-E895 PolarHBondContact O-N 3.22Å; E892-Q896 WeakPolarHBondContact O-CG 3.27Å; E892-Q896 PolarHBondContact O-N 2.96Å
893E94.5Very high91Very high128 Ų12875.7 Ų75.760%0.59838%0.381SS*.Hα-helixtrans-58.8-46.3172.2-174.6-175.6-16700111.8E889 Y890 E895 Q896 H897E889-E893 PolarHBondContact O-N 2.8Å; Y890-E893 PolarHBondContact O-N 2.93Å; E893-E895 VanDerWaalsContact C-N 3.32Å; E893-E895 PolarHBondContact O-N 3.15Å; E893-Q896 PolarHBondContact O-N 3.22Å; E893-H897 PolarHBondContact O-N 3.04Å
894I91.8Very high90.4Very high61 Ų6177.6 Ų77.631%0.31339%0.391SS..Hα-helixtrans-59.4-43.7174.6-73.4168.7000110.9Y890 E892 H897 L898Y890-I894 HydrophobicContact CD1-CD1 3.9Å; Y890-I894 HydrophobicContact CD2-CD1 4.43Å; Y890-I894 HydrophobicContact CE1-CD1 3.49Å; Y890-I894 VanDerWaalsContact CE1-CD1 3.49Å; Y890-I894 HydrophobicContact CE2-CD1 4.06Å; Y890-I894 HydrophobicContact CE2-CG1 4.28Å; Y890-I894 HydrophobicContact CG-CD1 4.36Å; Y890-I894 WeakPolarHBondContact O-CG1 3.14Å; Y890-I894 PolarHBondContact O-N 2.94Å; E892-I894 PolarHBondContact O-N 3.16Å; I894-H897 PolarHBondContact O-N 3.04Å; I894-L898 HydrophobicContact CG2-CD1 3.67Å; I894-L898 HydrophobicContact CG2-CG 4.16Å; I894-L898 WeakPolarHBondContact O-CB 3.36Å; I894-L898 VanDerWaalsContact O-CG 3.29Å; I894-L898 WeakPolarHBondContact O-CG 3.5Å; I894-L898 PolarHBondContact O-N 3.23Å
895E90.3Very high89.7Confident16 Ų1682.8 Ų82.88%0.07541%0.413CS..Hα-helixtrans-69.7-39.2-177.6-167.5168.2151.100112.3L891 E892 E893 H897 L898 M899 R924 R928L891-E895 WeakPolarHBondContact O-CB 3.45Å; L891-E895 PolarHBondContact O-N 3.35Å; E892-E895 PolarHBondContact O-N 3.22Å; E893-E895 VanDerWaalsContact C-N 3.32Å; E893-E895 PolarHBondContact O-N 3.15Å; E895-H897 VanDerWaalsContact C-N 3.33Å; E895-H897 PolarHBondContact O-N 3.31Å; E895-L898 PolarHBondContact O-N 3.25Å; E895-M899 WeakPolarHBondContact O-CB 3.25Å; E895-M899 PolarHBondContact O-N 3.01Å; E895-R924 WeakPolarHBondContact OE2-CB 3.28Å; E895-R928 IonicContact OE1-CZ 3.84Å; E895-R928 IonicContact OE1-NE 3.12Å; E895-R928 IonicContact OE1-NH2 3.77Å; E895-R928 PolarHBondContact OE1-NH2 3.04Å; E895-R928 IonicContact OE2-CZ 2.66Å; E895-R928 VanDerWaalsContact OE2-CZ 3.28Å; E895-R928 IonicContact OE2-NE 2.72Å; E895-R928 PolarHBondContact OE2-NE 2.84Å; E895-R928 IonicContact OE2-NH2 3.39Å; E895-R928 PolarHBondContact OE2-NH2 3.27Å
896Q89.9Confident88.9Confident124 Ų12483 Ų8358%0.57942%0.422SS*.Hα-helixtrans-59-44.6171.6-70.617622.500111.2E892 E893 G900E892-Q896 WeakPolarHBondContact O-CG 3.27Å; E892-Q896 PolarHBondContact O-N 2.96Å; E893-Q896 PolarHBondContact O-N 3.22Å; Q896-G900 PolarHBondContact O-N 3.12Å
897H91.4Very high88.1Confident113 Ų11391 Ų9152%0.52344%0.443SS..Hα-helixtrans-65.8-44.4176.4174.9-102.3000112.6E893 I894 E895 G900 Q901E893-H897 PolarHBondContact O-N 3.04Å; I894-H897 PolarHBondContact O-N 3.04Å; E895-H897 VanDerWaalsContact C-N 3.33Å; E895-H897 PolarHBondContact O-N 3.31Å; H897-G900 PolarHBondContact O-N 3.48Å; H897-Q901 PolarHBondContact CE1-NE2 3.45Å; H897-Q901 PolarHBondContact NE2-NE2 3.37Å; H897-Q901 WeakPolarHBondContact O-CG 3.43Å; H897-Q901 PolarHBondContact O-N 3.31Å
898L87.4Confident87.5Confident54 Ų5493 Ų9328%0.28346%0.457SS..Hα-helixtrans-63.7-45.3176.9-74.5174000111.8I894 E895 G900 Q901 Q902I894-L898 HydrophobicContact CG2-CD1 3.67Å; I894-L898 HydrophobicContact CG2-CG 4.16Å; I894-L898 WeakPolarHBondContact O-CB 3.36Å; I894-L898 VanDerWaalsContact O-CG 3.29Å; I894-L898 WeakPolarHBondContact O-CG 3.5Å; I894-L898 PolarHBondContact O-N 3.23Å; E895-L898 PolarHBondContact O-N 3.25Å; L898-G900 VanDerWaalsContact C-N 3.33Å; L898-G900 PolarHBondContact O-N 3.19Å; L898-Q901 PolarHBondContact O-N 3.4Å; L898-Q902 WeakPolarHBondContact O-CB 3.09Å; L898-Q902 PolarHBondContact O-N 2.97Å
899M86.4Confident86.9Confident97 Ų9793.3 Ų93.348%0.47846%0.462SS..Hα-helixtrans-62.9-40.5177.3-170.1-176.5-61.100111.1E895 Q902 A903E895-M899 WeakPolarHBondContact O-CB 3.25Å; E895-M899 PolarHBondContact O-N 3.01Å; M899-Q902 PolarHBondContact O-N 3.45Å; M899-A903 WeakPolarHBondContact O-CB 3.34Å; M899-A903 PolarHBondContact O-N 2.94Å
900G85.5Confident86.6Confident38 Ų3891 Ų9139%0.39246%0.456SS..Hα-helixtrans-60.3-46172.900000113Q896 H897 L898 L904Q896-G900 PolarHBondContact O-N 3.12Å; H897-G900 PolarHBondContact O-N 3.48Å; L898-G900 VanDerWaalsContact C-N 3.33Å; L898-G900 PolarHBondContact O-N 3.19Å; G900-L904 WeakPolarHBondContact O-CG 3.33Å; G900-L904 PolarHBondContact O-N 3.46Å
901Q85.1Confident86.2Confident93 Ų9391.5 Ų91.544%0.43546%0.464SS..Hα-helixtrans-65.5-41174.4-69.4-163.9-2.600112.3H897 L898 A903 L904 F905H897-Q901 PolarHBondContact CE1-NE2 3.45Å; H897-Q901 PolarHBondContact NE2-NE2 3.37Å; H897-Q901 WeakPolarHBondContact O-CG 3.43Å; H897-Q901 PolarHBondContact O-N 3.31Å; L898-Q901 PolarHBondContact O-N 3.4Å; Q901-A903 PolarHBondContact O-N 3.49Å; Q901-L904 WeakPolarHBondContact O-CB 3.48Å; Q901-L904 PolarHBondContact O-N 3.09Å; Q901-F905 WeakPolarHBondContact O-CD2 3.46Å; Q901-F905 PolarHBondContact O-N 2.84Å
902Q82.9Confident86Confident63 Ų6396.4 Ų96.429%0.29449%0.486SS..Hα-helixtrans-68.3-34.3-178.5-165.8145.44500112L898 M899 F905 S906L898-Q902 WeakPolarHBondContact O-CB 3.09Å; L898-Q902 PolarHBondContact O-N 2.97Å; M899-Q902 PolarHBondContact O-N 3.45Å; Q902-F905 PolarHBondContact O-N 3.32Å; Q902-S906 WeakPolarHBondContact O-CA 3.32Å; Q902-S906 WeakPolarHBondContact O-CB 3.11Å; Q902-S906 PolarHBondContact O-N 2.92Å
903A82.4Confident85.7Confident62 Ų6296.2 Ų96.251%0.51249%0.485SS..Hα-helixtrans-62.5-40.2171.300000112.5M899 Q901 F905 S906M899-A903 WeakPolarHBondContact O-CB 3.34Å; M899-A903 PolarHBondContact O-N 2.94Å; Q901-A903 PolarHBondContact O-N 3.49Å; A903-F905 VanDerWaalsContact C-N 3.34Å; A903-F905 PolarHBondContact O-N 3.09Å; A903-S906 WeakPolarHBondContact O-CB 3.28Å; A903-S906 PolarHBondContact O-N 3.47Å; A903-S906 PolarHBondContact O-OG 2.71Å
904L83.9Confident85.3Confident139 Ų13995.1 Ų95.173%0.72848%0.475SS*.Hα-helixtrans-63.8-36.2179.3-69.3169.7000113.2G900 Q901G900-L904 WeakPolarHBondContact O-CG 3.33Å; G900-L904 PolarHBondContact O-N 3.46Å; Q901-L904 WeakPolarHBondContact O-CB 3.48Å; Q901-L904 PolarHBondContact O-N 3.09Å
905F79.7Confident85.1Confident122 Ų12297.7 Ų97.754%0.53549%0.486SS..Hα-helixtrans-98.1-2.6179.5-63.3-69.9000114.2Q901 Q902 A903 R907 D908 M909Q901-F905 WeakPolarHBondContact O-CD2 3.46Å; Q901-F905 PolarHBondContact O-N 2.84Å; Q902-F905 PolarHBondContact O-N 3.32Å; A903-F905 VanDerWaalsContact C-N 3.34Å; A903-F905 PolarHBondContact O-N 3.09Å; F905-R907 PolarHBondContact O-N 3.32Å; F905-D908 PolarHBondContact O-N 2.99Å; F905-M909 WeakPolarHBondContact O-CG 3.31Å; F905-M909 PolarHBondContact O-N 3.48Å
906S76.9Confident85.1Confident75 Ų75102.6 Ų102.652%0.52451%0.509SS..THydrogen-bonded Turntrans-48.8-26.5-174.959.80000116.1Q902 A903Q902-S906 WeakPolarHBondContact O-CA 3.32Å; Q902-S906 WeakPolarHBondContact O-CB 3.11Å; Q902-S906 PolarHBondContact O-N 2.92Å; A903-S906 WeakPolarHBondContact O-CB 3.28Å; A903-S906 PolarHBondContact O-N 3.47Å; A903-S906 PolarHBondContact O-OG 2.71Å
907R77.8Confident84.9Confident230 Ų23097.2 Ų97.287%0.86849%0.486SS*.THydrogen-bonded Turntrans-81.1-26.2177.8-177.5174.4-179.5171.91.8114.3F905F905-R907 PolarHBondContact O-N 3.32Å
908D82.3Confident84.8Confident132 Ų13297 Ų9771%0.70649%0.485SS*.THydrogen-bonded Turntrans-97.5-13.8-175.7-61.8-27.4000112.1F905F905-D908 PolarHBondContact O-N 2.99Å
909M81.9Confident85Confident59 Ų59100.1 Ų100.129%0.29150%0.498SS..  trans-65.1136.9172.6-59.4-66.2-79.900111.5F905 E913F905-M909 WeakPolarHBondContact O-CG 3.31Å; F905-M909 PolarHBondContact O-N 3.48Å; M909-E913 HydrophobicContact CE-CB 3.78Å; M909-E913 WeakPolarHBondContact CE-O 3.41Å
910S87.7Confident85.2Confident49 Ų4999.2 Ų99.234%0.34350%0.495SS..  trans-73.2-179.6169.869.20000112.7E913 R914S910-E913 WeakPolarHBondContact CB-OE2 3.41Å; S910-E913 PolarHBondContact N-OE2 3.42Å; S910-E913 VanDerWaalsContact OG-CD 3.24Å; S910-E913 VanDerWaalsContact OG-CG 3.28Å; S910-E913 WeakPolarHBondContact OG-CG 3.35Å; S910-E913 PolarHBondContact OG-N 3.32Å; S910-E913 PolarHBondContact OG-OE2 2.94Å; S910-R914 WeakPolarHBondContact O-CB 3.24Å; S910-R914 PolarHBondContact O-N 3.26Å
911E86.3Confident85.4Confident144 Ų144101.5 Ų101.567%0.67350%0.495SS*.Hα-helixtrans-72.9-45.8179.7-171.6147.4-119.800112.2E913 R914 E915E911-E913 PolarHBondContact O-N 3.47Å; E911-R914 PolarHBondContact O-N 3.26Å; E911-R914 IonicContact OE1-NH1 2.69Å; E911-E915 PolarHBondContact O-N 3.46Å
912E88.9Confident85.8Confident131 Ų131101.8 Ų101.861%0.61250%0.504SS*.Hα-helixtrans-60.7-44.3174-68.4166.8117.400110.8K38 R914 E915 E916K38-E912 IonicContact NZ-OE1 3.17Å; E912-R914 PolarHBondContact O-N 2.75Å; E912-E915 PolarHBondContact O-N 3.29Å; E912-E916 PolarHBondContact O-N 2.4Å
913E86.1Confident86.3Confident91 Ų91104.3 Ų104.343%0.42552%0.519SS..Hα-helixtrans-67.9-19.1177.9-67.4164.113600113.9M909 S910 E911 A917M909-E913 HydrophobicContact CE-CB 3.78Å; M909-E913 WeakPolarHBondContact CE-O 3.41Å; S910-E913 WeakPolarHBondContact CB-OE2 3.41Å; S910-E913 PolarHBondContact N-OE2 3.42Å; S910-E913 VanDerWaalsContact OG-CD 3.24Å; S910-E913 VanDerWaalsContact OG-CG 3.28Å; S910-E913 WeakPolarHBondContact OG-CG 3.35Å; S910-E913 PolarHBondContact OG-N 3.32Å; S910-E913 PolarHBondContact OG-OE2 2.94Å; E911-E913 PolarHBondContact O-N 3.47Å; E913-A917 WeakPolarHBondContact O-CB 3.49Å; E913-A917 PolarHBondContact O-N 3.22Å
914R87Confident86.8Confident104 Ų104104.6 Ų104.639%0.39251%0.507SS..Hα-helixtrans-84.3-38.8174-164.2-163.9-41.3106.910.7111.4S910 E911 E912 A917 E918S910-R914 WeakPolarHBondContact O-CB 3.24Å; S910-R914 PolarHBondContact O-N 3.26Å; E911-R914 PolarHBondContact O-N 3.26Å; E911-R914 IonicContact OE1-NH1 2.69Å; E912-R914 PolarHBondContact O-N 2.75Å; R914-A917 VanDerWaalsContact O-CB 3.31Å; R914-A917 WeakPolarHBondContact O-CB 3.45Å; R914-A917 PolarHBondContact O-N 3.03Å; R914-A917 VanDerWaalsContact O-N 3.14Å; R914-E918 WeakPolarHBondContact O-CG 3.29Å; R914-E918 PolarHBondContact O-N 3.47Å
915E88.3Confident87.2Confident115 Ų115102.2 Ų102.254%0.53749%0.492SS..Hα-helixtrans-63.7-43.7173.1-164-177.5159.200110.7E911 E912 A917 E918 Q919E911-E915 PolarHBondContact O-N 3.46Å; E912-E915 PolarHBondContact O-N 3.29Å; E915-A917 VanDerWaalsContact C-N 3.26Å; E915-A917 PolarHBondContact O-N 3.05Å; E915-E918 PolarHBondContact O-N 2.86Å; E915-Q919 WeakPolarHBondContact O-CB 3.35Å; E915-Q919 VanDerWaalsContact O-CG 3.29Å; E915-Q919 WeakPolarHBondContact O-CG 3.33Å; E915-Q919 PolarHBondContact O-N 2.93Å; E915-Q919 PolarHBondContact OE1-NE2 3.15Å
916E88.9Confident87.9Confident119 Ų11998.4 Ų98.456%0.55648%0.482SS*.Hα-helixtrans-58.3-37170.6-72.9-176.2-176.200112.2E912 L920E912-E916 PolarHBondContact O-N 2.4Å; E916-L920 WeakPolarHBondContact O-CB 3.5Å; E916-L920 WeakPolarHBondContact O-CG 3.21Å; E916-L920 PolarHBondContact O-N 3.47Å
917A86.8Confident88.8Confident12 Ų1298.3 Ų98.310%0.09948%0.476CS..Hα-helixtrans-65.6-45175.700000112.9E913 R914 E915 L920 Q921E913-A917 WeakPolarHBondContact O-CB 3.49Å; E913-A917 PolarHBondContact O-N 3.22Å; R914-A917 VanDerWaalsContact O-CB 3.31Å; R914-A917 WeakPolarHBondContact O-CB 3.45Å; R914-A917 PolarHBondContact O-N 3.03Å; R914-A917 VanDerWaalsContact O-N 3.14Å; E915-A917 VanDerWaalsContact C-N 3.26Å; E915-A917 PolarHBondContact O-N 3.05Å; A917-L920 PolarHBondContact O-N 3Å; A917-Q921 WeakPolarHBondContact O-CB 3.45Å; A917-Q921 PolarHBondContact O-N 3.03Å
918E88.6Confident89.5Confident109 Ų10989.1 Ų89.151%0.50944%0.441SS..Hα-helixtrans-66.8-38.2178.4-70.7170.1-150.100111.3R914 E915 Q921 T922R914-E918 WeakPolarHBondContact O-CG 3.29Å; R914-E918 PolarHBondContact O-N 3.47Å; E915-E918 PolarHBondContact O-N 2.86Å; E918-Q921 PolarHBondContact O-N 2.9Å; E918-T922 WeakPolarHBondContact O-CB 3.47Å; E918-T922 PolarHBondContact O-N 3.47Å; E918-T922 PolarHBondContact O-OG1 3.46Å
919Q91.2Very high90.1Very high118 Ų11888.3 Ų88.355%0.55143%0.433SS*.Hα-helixtrans-63.5-44.7171-69.4176.822.200111.8E915 T922 L923E915-Q919 WeakPolarHBondContact O-CB 3.35Å; E915-Q919 VanDerWaalsContact O-CG 3.29Å; E915-Q919 WeakPolarHBondContact O-CG 3.33Å; E915-Q919 PolarHBondContact O-N 2.93Å; E915-Q919 PolarHBondContact OE1-NE2 3.15Å; Q919-T922 WeakPolarHBondContact O-CB 3.43Å; Q919-T922 PolarHBondContact O-N 3.34Å; Q919-L923 PolarHBondContact O-N 3.04Å
920L90.6Very high90.8Very high79 Ų7991.9 Ų91.941%0.41445%0.449SS..Hα-helixtrans-66.5-34.9176.6-75.9170.4000112.9E916 A917 L923 R924E916-L920 WeakPolarHBondContact O-CB 3.5Å; E916-L920 WeakPolarHBondContact O-CG 3.21Å; E916-L920 PolarHBondContact O-N 3.47Å; A917-L920 PolarHBondContact O-N 3Å; L920-L923 PolarHBondContact O-N 3.2Å; L920-R924 WeakPolarHBondContact O-CD 3.5Å; L920-R924 VanDerWaalsContact O-CG 3.24Å; L920-R924 WeakPolarHBondContact O-CG 3.32Å; L920-R924 PolarHBondContact O-N 3.13Å; L920-R924 VanDerWaalsContact O-N 3.1Å
921Q89.5Confident91.2Very high85 Ų8590.1 Ų90.140%0.39744%0.436SS..Hα-helixtrans-65.5-45.9172.2-174.3176.42.400110.8A917 E918 L923 R924 E925A917-Q921 WeakPolarHBondContact O-CB 3.45Å; A917-Q921 PolarHBondContact O-N 3.03Å; E918-Q921 PolarHBondContact O-N 2.9Å; Q921-L923 VanDerWaalsContact C-N 3.27Å; Q921-L923 PolarHBondContact O-N 3.11Å; Q921-R924 PolarHBondContact O-N 3.38Å; Q921-R924 VanDerWaalsContact O-N 3.11Å; Q921-E925 PolarHBondContact O-N 3.45Å
922T93.8Very high91.5Very high99 Ų9984.8 Ų84.861%0.60742%0.417SS*.Hα-helixtrans-57.9-39.2176-56.40000111.9E918 Q919 A926E918-T922 WeakPolarHBondContact O-CB 3.47Å; E918-T922 PolarHBondContact O-N 3.47Å; E918-T922 PolarHBondContact O-OG1 3.46Å; Q919-T922 WeakPolarHBondContact O-CB 3.43Å; Q919-T922 PolarHBondContact O-N 3.34Å; T922-A926 WeakPolarHBondContact O-CB 3.36Å; T922-A926 PolarHBondContact O-N 3.04Å
923L94.3Very high91.9Very high117 Ų11782.6 Ų82.661%0.61341%0.406SS*.Hα-helixtrans-68.6-36.8176-176.761.4000113.1Q919 L920 Q921 L927Q919-L923 PolarHBondContact O-N 3.04Å; L920-L923 PolarHBondContact O-N 3.2Å; Q921-L923 VanDerWaalsContact C-N 3.27Å; Q921-L923 PolarHBondContact O-N 3.11Å; L923-L927 PolarHBondContact O-N 2.6Å
924R91.8Very high92.3Very high68 Ų6882.3 Ų82.326%0.25741%0.407SS..Hα-helixtrans-69.6-41.5176.2-69.2163.2-168.3147.94.5111.9E895 L920 Q921 L927 R928E895-R924 WeakPolarHBondContact OE2-CB 3.28Å; L920-R924 WeakPolarHBondContact O-CD 3.5Å; L920-R924 VanDerWaalsContact O-CG 3.24Å; L920-R924 WeakPolarHBondContact O-CG 3.32Å; L920-R924 PolarHBondContact O-N 3.13Å; L920-R924 VanDerWaalsContact O-N 3.1Å; Q921-R924 PolarHBondContact O-N 3.38Å; Q921-R924 VanDerWaalsContact O-N 3.11Å; R924-L927 PolarHBondContact O-N 2.95Å; R924-R928 PolarHBondContact O-N 2.98Å
925E92.7Very high92.8Very high89 Ų8978.5 Ų78.542%0.41639%0.394SS..Hα-helixtrans-58.3-49.2171.5-173.463.5-110.300111Q921 L927 R928 Q929Q921-E925 PolarHBondContact O-N 3.45Å; E925-L927 VanDerWaalsContact C-N 3.29Å; E925-L927 PolarHBondContact O-N 3.42Å; E925-R928 VanDerWaalsContact CD-NH2 3.32Å; E925-R928 PolarHBondContact O-N 2.89Å; E925-R928 IonicContact OE1-CZ 2.74Å; E925-R928 IonicContact OE1-NH1 2.64Å; E925-R928 PolarHBondContact OE1-NH1 3.25Å; E925-R928 IonicContact OE1-NH2 2.7Å; E925-R928 IonicContact OE2-CZ 3.99Å; E925-R928 IonicContact OE2-NH1 2.98Å; E925-R928 PolarHBondContact OE2-NH1 3.23Å; E925-R928 VanDerWaalsContact OE2-NH1 3.17Å; E925-R928 IonicContact OE2-NH2 3.28Å; E925-R928 PolarHBondContact OE2-NH2 3.44Å; E925-Q929 WeakPolarHBondContact O-CB 3.41Å; E925-Q929 PolarHBondContact O-N 3.47Å
926A95.4Very high93.1Very high41 Ų4179.3 Ų79.334%0.33940%0.396SS..Hα-helixtrans-60-36.7176.600000112.9T922 Q930T922-A926 WeakPolarHBondContact O-CB 3.36Å; T922-A926 PolarHBondContact O-N 3.04Å; A926-Q930 WeakPolarHBondContact O-CG 3.45Å; A926-Q930 PolarHBondContact O-N 2.88Å
927L95.1Very high93.4Very high73 Ų7378.7 Ų78.738%0.38239%0.393SS..Hα-helixtrans-67-48.2174.1-179.964.3000111.7L891 L923 R924 E925 Q929 Q930 V931L891-L927 HydrophobicContact CD1-CD2 3.94Å; L891-L927 HydrophobicContact CD1-CG 4Å; L891-L927 HydrophobicContact CD2-CD2 4.12Å; L923-L927 PolarHBondContact O-N 2.6Å; R924-L927 PolarHBondContact O-N 2.95Å; E925-L927 VanDerWaalsContact C-N 3.29Å; E925-L927 PolarHBondContact O-N 3.42Å; L927-Q929 VanDerWaalsContact C-N 3.29Å; L927-Q929 PolarHBondContact O-N 3.17Å; L927-Q930 PolarHBondContact O-N 3.04Å; L927-V931 WeakPolarHBondContact O-CG2 3.4Å; L927-V931 PolarHBondContact O-N 3.25Å
928R92.9Very high93.7Very high38 Ų3879.3 Ų79.314%0.14339%0.394CS..Hα-helixtrans-58.7-41176.3-77.8-170.4-75.290.2-1.7111.5L891 E895 R924 E925 V931 A932L891-R928 HydrophobicContact CB-CG 4.05Å; L891-R928 HydrophobicContact CD1-CG 4.23Å; E895-R928 IonicContact OE1-CZ 3.84Å; E895-R928 IonicContact OE1-NE 3.12Å; E895-R928 IonicContact OE1-NH2 3.77Å; E895-R928 PolarHBondContact OE1-NH2 3.04Å; E895-R928 IonicContact OE2-CZ 2.66Å; E895-R928 VanDerWaalsContact OE2-CZ 3.28Å; E895-R928 IonicContact OE2-NE 2.72Å; E895-R928 PolarHBondContact OE2-NE 2.84Å; E895-R928 IonicContact OE2-NH2 3.39Å; E895-R928 PolarHBondContact OE2-NH2 3.27Å; R924-R928 PolarHBondContact O-N 2.98Å; E925-R928 VanDerWaalsContact CD-NH2 3.32Å; E925-R928 PolarHBondContact O-N 2.89Å; E925-R928 IonicContact OE1-CZ 2.74Å; E925-R928 IonicContact OE1-NH1 2.64Å; E925-R928 PolarHBondContact OE1-NH1 3.25Å; E925-R928 IonicContact OE1-NH2 2.7Å; E925-R928 IonicContact OE2-CZ 3.99Å; E925-R928 IonicContact OE2-NH1 2.98Å; E925-R928 PolarHBondContact OE2-NH1 3.23Å; E925-R928 VanDerWaalsContact OE2-NH1 3.17Å; E925-R928 IonicContact OE2-NH2 3.28Å; E925-R928 PolarHBondContact OE2-NH2 3.44Å; R928-V931 PolarHBondContact O-N 2.98Å; R928-A932 WeakPolarHBondContact O-CB 3.2Å; R928-A932 PolarHBondContact O-N 3.3Å
929Q94.8Very high93.9Very high115 Ų11574.7 Ų74.754%0.53738%0.377SS..Hα-helixtrans-64.6-39.3176.2-173.859.936.800112.6E925 L927 A932 E933E925-Q929 WeakPolarHBondContact O-CB 3.41Å; E925-Q929 PolarHBondContact O-N 3.47Å; L927-Q929 VanDerWaalsContact C-N 3.29Å; L927-Q929 PolarHBondContact O-N 3.17Å; Q929-A932 PolarHBondContact O-N 3.48Å; Q929-E933 WeakPolarHBondContact O-CB 3.46Å; Q929-E933 PolarHBondContact O-N 2.7Å
930Q96.3Very high94.1Very high133 Ų13373.1 Ų73.162%0.62137%0.372SS*.Hα-helixtrans-65.4-38.3174.2-74.8175.33800112.5A926 L927 L934A926-Q930 WeakPolarHBondContact O-CG 3.45Å; A926-Q930 PolarHBondContact O-N 2.88Å; L927-Q930 PolarHBondContact O-N 3.04Å; Q930-L934 WeakPolarHBondContact O-CB 3.3Å; Q930-L934 PolarHBondContact O-N 3.47Å
931V95.4Very high94.1Very high12 Ų1276 Ų767%0.07338%0.377CS..Hα-helixtrans-68.6-38.2175.8177.80000111.4C884 F887 R888 L891 L927 R928 L934 E935C884-V931 HydrophobicContact CB-CG1 4.26Å; C884-V931 WeakPolarHBondContact O-CG1 3.3Å; F887-V931 HydrophobicContact CD1-CG1 4.01Å; F887-V931 HydrophobicContact CD1-CG2 3.68Å; F887-V931 HydrophobicContact CE1-CG2 3.69Å; R888-V931 HydrophobicContact CB-CG1 3.94Å; L891-V931 HydrophobicContact CD1-CG2 4.34Å; L927-V931 WeakPolarHBondContact O-CG2 3.4Å; L927-V931 PolarHBondContact O-N 3.25Å; R928-V931 PolarHBondContact O-N 2.98Å; V931-L934 PolarHBondContact O-N 3.39Å; V931-E935 PolarHBondContact O-N 3Å
932A93.8Very high94.2Very high32 Ų3272 Ų7226%0.26436%0.359SS..Hα-helixtrans-65.5-43.3174.600000112.4R928 Q929 E935 F936R928-A932 WeakPolarHBondContact O-CB 3.2Å; R928-A932 PolarHBondContact O-N 3.3Å; Q929-A932 PolarHBondContact O-N 3.48Å; A932-E935 PolarHBondContact O-N 3.34Å; A932-F936 PolarHBondContact O-N 3.06Å
933E96.4Very high94Very high85 Ų8571.6 Ų71.640%0.39735%0.35SS..Hα-helixtrans-62.4-42.7174179.860.7-151.100111.5Q929 F936 Q937Q929-E933 WeakPolarHBondContact O-CB 3.46Å; Q929-E933 PolarHBondContact O-N 2.7Å; E933-F936 PolarHBondContact O-N 3.41Å; E933-Q937 WeakPolarHBondContact O-CG 3.49Å; E933-Q937 PolarHBondContact O-N 3.34Å; E933-Q937 PolarHBondContact OE1-NE2 2.78Å
934L96Very high93.9Very high85 Ų8572 Ų7245%0.44535%0.349SS..Hα-helixtrans-63.6-41.9175.6-179.260.8000112.1Q930 V931 F936 Q937 L938Q930-L934 WeakPolarHBondContact O-CB 3.3Å; Q930-L934 PolarHBondContact O-N 3.47Å; V931-L934 PolarHBondContact O-N 3.39Å; L934-F936 VanDerWaalsContact C-N 3.33Å; L934-F936 PolarHBondContact O-N 2.9Å; L934-Q937 PolarHBondContact O-N 2.99Å; L934-L938 HydrophobicContact CD1-CD1 4.15Å; L934-L938 HydrophobicContact CD1-CG 4.27Å; L934-L938 HydrophobicContact CG-CD1 3.98Å; L934-L938 WeakPolarHBondContact O-CB 3.45Å; L934-L938 WeakPolarHBondContact O-CD1 3.22Å; L934-L938 VanDerWaalsContact O-CG 3.23Å; L934-L938 WeakPolarHBondContact O-CG 3.33Å; L934-L938 PolarHBondContact O-N 2.84Å
935E95.9Very high93.6Very high24 Ų2470.7 Ų70.711%0.11235%0.346CS..Hα-helixtrans-60.3-43.8173.8-165.5-156.712200111.5K881 C884 Q885 R888 V931 A932 L938 G939K881-E935 HydrophobicContact CD-CG 4.36Å; K881-E935 WeakPolarHBondContact CE-OE1 3.48Å; K881-E935 HydrophobicContact CG-CG 3.41Å; K881-E935 VanDerWaalsContact CG-CG 3.41Å; K881-E935 IonicContact NZ-OE1 2.85Å; K881-E935 PolarHBondContact NZ-OE1 3.48Å; C884-E935 HydrophobicContact CB-CB 4.07Å; C884-E935 HydrophobicContact CB-CG 4.35Å; Q885-E935 WeakPolarHBondContact CA-OE2 3.27Å; Q885-E935 WeakPolarHBondContact CB-OE2 3.16Å; R888-E935 IonicContact CZ-OE2 3.58Å; R888-E935 IonicContact NH1-OE2 2.84Å; R888-E935 PolarHBondContact NH1-OE2 2.91Å; R888-E935 IonicContact NH2-OE2 3.55Å; R888-E935 PolarHBondContact NH2-OE2 3.04Å; V931-E935 PolarHBondContact O-N 3Å; A932-E935 PolarHBondContact O-N 3.34Å; E935-L938 PolarHBondContact O-N 3.26Å; E935-G939 PolarHBondContact O-N 2.99Å
936F94.8Very high93.3Very high133 Ų13369.9 Ų69.958%0.58334%0.339SS*.Hα-helixtrans-62.5-49178179-100.8000111.5A932 E933 L934 L938 G939 D940A932-F936 PolarHBondContact O-N 3.06Å; E933-F936 PolarHBondContact O-N 3.41Å; L934-F936 VanDerWaalsContact C-N 3.33Å; L934-F936 PolarHBondContact O-N 2.9Å; F936-L938 VanDerWaalsContact C-N 3.34Å; F936-L938 PolarHBondContact O-N 3.07Å; F936-G939 PolarHBondContact O-N 2.92Å; F936-D940 WeakPolarHBondContact O-CB 3.34Å; F936-D940 PolarHBondContact O-N 3.44Å
937Q95.6Very high92.9Very high105 Ų10572.5 Ų72.549%0.49135%0.345SS..Hα-helixtrans-62.1-38.1177.9-71.2-179.618.800112.8E933 L934 R941E933-Q937 WeakPolarHBondContact O-CG 3.49Å; E933-Q937 PolarHBondContact O-N 3.34Å; E933-Q937 PolarHBondContact OE1-NE2 2.78Å; L934-Q937 PolarHBondContact O-N 2.99Å; Q937-R941 VanDerWaalsContact O-CB 3.24Å; Q937-R941 WeakPolarHBondContact O-CB 3.17Å; Q937-R941 PolarHBondContact O-N 2.78Å
938L94Very high92.4Very high25 Ų2570.8 Ų70.813%0.13134%0.344CS..Hα-helixtrans-65.3-43.7174-73.4166.1000111.4M877 M880 K881 L934 E935 F936 A942M877-L938 HydrophobicContact CE-CD2 4.12Å; M877-L938 VanDerWaalsContact CE-O 3.3Å; M877-L938 WeakPolarHBondContact CE-O 3.4Å; M880-L938 HydrophobicContact CB-CD1 3.9Å; M880-L938 HydrophobicContact CB-CD2 4.16Å; M880-L938 HydrophobicContact CG-CD1 3.51Å; M880-L938 HydrophobicContact CG-CD2 4.03Å; M880-L938 HydrophobicContact CG-CG 4.44Å; K881-L938 HydrophobicContact CB-CB 4.32Å; L934-L938 HydrophobicContact CD1-CD1 4.15Å; L934-L938 HydrophobicContact CD1-CG 4.27Å; L934-L938 HydrophobicContact CG-CD1 3.98Å; L934-L938 WeakPolarHBondContact O-CB 3.45Å; L934-L938 WeakPolarHBondContact O-CD1 3.22Å; L934-L938 VanDerWaalsContact O-CG 3.23Å; L934-L938 WeakPolarHBondContact O-CG 3.33Å; L934-L938 PolarHBondContact O-N 2.84Å; E935-L938 PolarHBondContact O-N 3.26Å; F936-L938 VanDerWaalsContact C-N 3.34Å; F936-L938 PolarHBondContact O-N 3.07Å; L938-A942 WeakPolarHBondContact O-CB 3.4Å; L938-A942 PolarHBondContact O-N 3.3Å
939G92.8Very high91.9Very high13 Ų1370.3 Ų70.313%0.13434%0.344CS..Hα-helixtrans-63.8-49.9176.700000113.6E935 F936 A942 Q943E935-G939 PolarHBondContact O-N 2.99Å; F936-G939 PolarHBondContact O-N 2.92Å; G939-A942 PolarHBondContact O-N 2.98Å; G939-Q943 WeakPolarHBondContact O-CB 3.4Å; G939-Q943 PolarHBondContact O-N 2.91Å
940D93.8Very high91.2Very high84 Ų8470 Ų7045%0.44935%0.346SS..Hα-helixtrans-62.7-50179.8178.674.7000111.5F936 A942 Q943 Q944F936-D940 WeakPolarHBondContact O-CB 3.34Å; F936-D940 PolarHBondContact O-N 3.44Å; D940-A942 VanDerWaalsContact C-N 3.32Å; D940-A942 PolarHBondContact O-N 3Å; D940-Q943 CarbonylContact O-C 3.5Å; D940-Q943 WeakPolarHBondContact O-CB 3.34Å; D940-Q943 PolarHBondContact O-N 2.81Å; D940-Q943 VanDerWaalsContact O-N 3.11Å; D940-Q944 WeakPolarHBondContact O-CB 3.41Å; D940-Q944 PolarHBondContact O-N 3.09Å
941R92.3Very high90.5Very high140 Ų14068.5 Ų68.553%0.52834%0.342SS..Hα-helixtrans-67-32178.9178.9-176.1-177.1-90.23.7112.1M877 Q937 I945M877-R941 HydrophobicContact CE-CB 3.59Å; M877-R941 HydrophobicContact CE-CG 3.61Å; M877-R941 HydrophobicContact SD-CG 4.32Å; M877-R941 PolarHBondContact SD-NH1 3.12Å; Q937-R941 VanDerWaalsContact O-CB 3.24Å; Q937-R941 WeakPolarHBondContact O-CB 3.17Å; Q937-R941 PolarHBondContact O-N 2.78Å; R941-I945 HydrophobicContact CG-CD1 4.24Å; R941-I945 WeakPolarHBondContact O-CD1 3.25Å; R941-I945 VanDerWaalsContact O-CG1 3.25Å; R941-I945 WeakPolarHBondContact O-CG1 3.48Å; R941-I945 PolarHBondContact O-N 2.99Å; R941-I945 VanDerWaalsContact O-N 3.08Å
942A90.7Very high89.6Confident1 Ų174.3 Ų74.31%0.00837%0.368CS..Hα-helixtrans-66.3-40.4171.600000111.6V874 M877 E878 L938 G939 D940 I945 R946V874-A942 HydrophobicContact CG1-CB 4.21Å; M877-A942 HydrophobicContact CB-CB 3.95Å; M877-A942 HydrophobicContact CE-CB 4.27Å; M877-A942 HydrophobicContact SD-CB 4.46Å; E878-A942 HydrophobicContact CG-CB 4.46Å; L938-A942 WeakPolarHBondContact O-CB 3.4Å; L938-A942 PolarHBondContact O-N 3.3Å; G939-A942 PolarHBondContact O-N 2.98Å; D940-A942 VanDerWaalsContact C-N 3.32Å; D940-A942 PolarHBondContact O-N 3Å; A942-I945 PolarHBondContact O-N 3.41Å; A942-R946 WeakPolarHBondContact O-CG 3.49Å; A942-R946 PolarHBondContact O-N 3.22Å; A942-R946 VanDerWaalsContact O-N 3.12Å
943Q90Very high88.5Confident90 Ų9074.1 Ų74.142%0.42136%0.362SS..Hα-helixtrans-64.7-46173.8-179.2166.9-21.700112.1G939 D940 I945 R946 E947G939-Q943 WeakPolarHBondContact O-CB 3.4Å; G939-Q943 PolarHBondContact O-N 2.91Å; D940-Q943 CarbonylContact O-C 3.5Å; D940-Q943 WeakPolarHBondContact O-CB 3.34Å; D940-Q943 PolarHBondContact O-N 2.81Å; D940-Q943 VanDerWaalsContact O-N 3.11Å; Q943-I945 VanDerWaalsContact C-N 3.27Å; Q943-I945 PolarHBondContact O-N 2.83Å; Q943-R946 WeakPolarHBondContact O-CB 3.43Å; Q943-R946 PolarHBondContact O-N 3.4Å; Q943-R946 VanDerWaalsContact O-N 3.11Å; Q943-E947 HydrophobicContact CG-CG 4.29Å; Q943-E947 VanDerWaalsContact CG-OE1 3.24Å; Q943-E947 WeakPolarHBondContact CG-OE1 3.42Å; Q943-E947 PolarHBondContact NE2-OE1 3.23Å; Q943-E947 WeakPolarHBondContact O-CG 3.47Å; Q943-E947 PolarHBondContact O-N 2.92Å
944Q90.8Very high87.4Confident127 Ų12776 Ų7659%0.59337%0.371SS*.Hα-helixtrans-58.1-37.8176.4-175.7-179.679.300112.3D940 G948D940-Q944 WeakPolarHBondContact O-CB 3.41Å; D940-Q944 PolarHBondContact O-N 3.09Å; Q944-G948 PolarHBondContact O-N 3.25Å
945I86.7Confident86.3Confident39 Ų3977.5 Ų77.520%0.238%0.383CS..Hα-helixtrans-67.8-45.1175.1-68.5164.4000110.8V874 M877 R941 A942 Q943 G948 I949V874-I945 HydrophobicContact CG2-CB 4.17Å; V874-I945 HydrophobicContact CG2-CG2 3.58Å; M877-I945 HydrophobicContact SD-CD1 3.88Å; R941-I945 HydrophobicContact CG-CD1 4.24Å; R941-I945 WeakPolarHBondContact O-CD1 3.25Å; R941-I945 VanDerWaalsContact O-CG1 3.25Å; R941-I945 WeakPolarHBondContact O-CG1 3.48Å; R941-I945 PolarHBondContact O-N 2.99Å; R941-I945 VanDerWaalsContact O-N 3.08Å; A942-I945 PolarHBondContact O-N 3.41Å; Q943-I945 VanDerWaalsContact C-N 3.27Å; Q943-I945 PolarHBondContact O-N 2.83Å; I945-G948 PolarHBondContact O-N 3.36Å; I945-I949 HydrophobicContact CG2-CD1 3.81Å; I945-I949 VanDerWaalsContact O-CG1 3.3Å; I945-I949 WeakPolarHBondContact O-CG1 3.3Å; I945-I949 PolarHBondContact O-N 3.37Å
946R85.6Confident84.6Confident73 Ų7381.6 Ų81.628%0.27541%0.406SS..Hα-helixtrans-58.9-48.8175.3-70.8-176.4-67.1-99.712.3112.3V874 E878 A942 Q943 I949 L950V874-R946 HydrophobicContact CB-CG 4.48Å; V874-R946 HydrophobicContact CG1-CG 3.64Å; V874-R946 HydrophobicContact CG2-CG 4.07Å; E878-R946 IonicContact OE1-CZ 2.69Å; E878-R946 IonicContact OE1-NH1 3.72Å; E878-R946 PolarHBondContact OE1-NH1 3.02Å; E878-R946 IonicContact OE1-NH2 3.42Å; A942-R946 WeakPolarHBondContact O-CG 3.49Å; A942-R946 PolarHBondContact O-N 3.22Å; A942-R946 VanDerWaalsContact O-N 3.12Å; Q943-R946 WeakPolarHBondContact O-CB 3.43Å; Q943-R946 PolarHBondContact O-N 3.4Å; Q943-R946 VanDerWaalsContact O-N 3.11Å; R946-I949 PolarHBondContact O-N 2.89Å; R946-L950 WeakPolarHBondContact O-CB 3.31Å; R946-L950 WeakPolarHBondContact O-CG 3.39Å; R946-L950 PolarHBondContact O-N 2.78Å
947E87.2Confident82.8Confident96 Ų9678.6 Ų78.645%0.44940%0.398SS..Hα-helixtrans-66.3-39.7-179.5-70.9178.4-170.100111.6Q943 L950 L951Q943-E947 HydrophobicContact CG-CG 4.29Å; Q943-E947 VanDerWaalsContact CG-OE1 3.24Å; Q943-E947 WeakPolarHBondContact CG-OE1 3.42Å; Q943-E947 PolarHBondContact NE2-OE1 3.23Å; Q943-E947 WeakPolarHBondContact O-CG 3.47Å; Q943-E947 PolarHBondContact O-N 2.92Å; E947-L950 PolarHBondContact O-N 2.95Å; E947-L951 WeakPolarHBondContact O-CB 3.41Å; E947-L951 VanDerWaalsContact O-CG 3.3Å; E947-L951 WeakPolarHBondContact O-CG 3.23Å; E947-L951 PolarHBondContact O-N 3.06Å
948G85.9Confident80.7Confident36 Ų3677.1 Ų77.137%0.37140%0.404SS..Hα-helixtrans-61.5-42.217400000113.1Q944 I945 Q952Q944-G948 PolarHBondContact O-N 3.25Å; I945-G948 PolarHBondContact O-N 3.36Å; G948-Q952 WeakPolarHBondContact O-CB 3.4Å; G948-Q952 PolarHBondContact O-N 3.32Å
949I81.4Confident78.6Confident29 Ų2984.4 Ų84.415%0.14944%0.437CS..Hα-helixtrans-69.3-40.1176.4-66.7168.3000110.9V866 C870 I945 R946 Q952 L953V866-I949 HydrophobicContact CB-CG2 4.31Å; V866-I949 HydrophobicContact CG1-CG2 3.86Å; V866-I949 HydrophobicContact CG2-CG2 3.88Å; C870-I949 VanDerWaalsContact SG-CD1 3.58Å; I945-I949 HydrophobicContact CG2-CD1 3.81Å; I945-I949 VanDerWaalsContact O-CG1 3.3Å; I945-I949 WeakPolarHBondContact O-CG1 3.3Å; I945-I949 PolarHBondContact O-N 3.37Å; R946-I949 PolarHBondContact O-N 2.89Å; I949-Q952 PolarHBondContact O-N 3.16Å; I949-L953 PolarHBondContact O-N 3.36Å
950L80.2Confident76.2Confident107 Ų10789.4 Ų89.456%0.5647%0.467SS*.Hα-helixtrans-60-48.4174-84.6162.9000112.2R946 E947 Q952 L953 E954R946-L950 WeakPolarHBondContact O-CB 3.31Å; R946-L950 WeakPolarHBondContact O-CG 3.39Å; R946-L950 PolarHBondContact O-N 2.78Å; E947-L950 PolarHBondContact O-N 2.95Å; L950-Q952 VanDerWaalsContact C-N 3.32Å; L950-Q952 PolarHBondContact O-N 2.91Å; L950-L953 WeakPolarHBondContact O-CB 3.48Å; L950-L953 PolarHBondContact O-N 3.14Å; L950-L953 VanDerWaalsContact O-N 3.15Å; L950-E954 PolarHBondContact O-N 3.35Å
951L82.3Confident73.7Confident103 Ų10390.4 Ų90.454%0.53948%0.478SS..Hα-helixtrans-63.3-37.6176.7-72.3167.1000111.9E947 L953 E954 V955E947-L951 WeakPolarHBondContact O-CB 3.41Å; E947-L951 VanDerWaalsContact O-CG 3.3Å; E947-L951 WeakPolarHBondContact O-CG 3.23Å; E947-L951 PolarHBondContact O-N 3.06Å; L951-L953 VanDerWaalsContact C-N 3.31Å; L951-E954 PolarHBondContact O-N 2.97Å; L951-V955 WeakPolarHBondContact O-CG2 3.45Å; L951-V955 PolarHBondContact O-N 2.99Å
952Q76.3Confident71.4Confident133 Ų13392.2 Ų92.262%0.62149%0.493SS*.Hα-helixtrans-67.8-32.6175.1-168168.612.900112G948 I949 L950 L956G948-Q952 WeakPolarHBondContact O-CB 3.4Å; G948-Q952 PolarHBondContact O-N 3.32Å; I949-Q952 PolarHBondContact O-N 3.16Å; L950-Q952 VanDerWaalsContact C-N 3.32Å; L950-Q952 PolarHBondContact O-N 2.91Å; Q952-L956 WeakPolarHBondContact O-CD1 3.12Å; Q952-L956 VanDerWaalsContact O-CG 3.27Å; Q952-L956 WeakPolarHBondContact O-CG 3.37Å; Q952-L956 PolarHBondContact O-N 3.2Å
953L70.3Confident69.2Low28 Ų2899.8 Ų99.815%0.14753%0.528CS..Hα-helixtrans-71-39.9172.2-160.871.5000112.2Q862 V866 I949 L950 L951 V955 L956 T957Q862-L953 HydrophobicContact CB-CD1 3.79Å; Q862-L953 HydrophobicContact CG-CD1 4.1Å; V866-L953 HydrophobicContact CG2-CB 4.28Å; V866-L953 HydrophobicContact CG2-CD1 3.45Å; V866-L953 VanDerWaalsContact CG2-CD1 3.45Å; V866-L953 HydrophobicContact CG2-CD2 3.99Å; V866-L953 HydrophobicContact CG2-CG 4.09Å; I949-L953 PolarHBondContact O-N 3.36Å; L950-L953 WeakPolarHBondContact O-CB 3.48Å; L950-L953 PolarHBondContact O-N 3.14Å; L950-L953 VanDerWaalsContact O-N 3.15Å; L951-L953 VanDerWaalsContact C-N 3.31Å; L953-V955 VanDerWaalsContact C-N 3.34Å; L953-V955 PolarHBondContact O-N 3.02Å; L953-L956 CarbonylContact O-C 3.58Å; L953-L956 WeakPolarHBondContact O-CA 3.4Å; L953-L956 PolarHBondContact O-N 3.24Å; L953-T957 HydrophobicContact CG-CG2 4.47Å; L953-T957 WeakPolarHBondContact O-CB 3.46Å; L953-T957 WeakPolarHBondContact O-CG2 3.45Å; L953-T957 PolarHBondContact O-N 2.9Å; L953-T957 PolarHBondContact O-OG1 3.49Å
954E73.4Confident66.7Low125 Ų125105.9 Ų105.958%0.58455%0.548SS*.Hα-helixtrans-60.8-43.8176-170171.1-15700110.8L950 L951 L956 T957 A958L950-E954 PolarHBondContact O-N 3.35Å; L951-E954 PolarHBondContact O-N 2.97Å; E954-L956 PolarHBondContact O-N 3.49Å; E954-T957 WeakPolarHBondContact CA-OG1 3.5Å; E954-T957 PolarHBondContact O-N 2.88Å; E954-T957 VanDerWaalsContact O-N 3.14Å; E954-T957 PolarHBondContact O-OG1 3.06Å; E954-A958 WeakPolarHBondContact O-CB 3.39Å; E954-A958 PolarHBondContact O-N 3.5Å
955V72.4Confident64.3Low116 Ų116104.8 Ų104.870%0.70356%0.555SS**Hα-helixtrans-63.6-26.9172.6172.20000113.1L951 L953L951-V955 WeakPolarHBondContact O-CG2 3.45Å; L951-V955 PolarHBondContact O-N 2.99Å; L953-V955 VanDerWaalsContact C-N 3.34Å; L953-V955 PolarHBondContact O-N 3.02Å
956L60.4Low61.9Low111 Ų111109.5 Ų109.558%0.58158%0.58SS**Hα-helixtrans-90.9-4.6176.3-71.1171.4000114.3Q862 Q952 L953 E954Q862-L956 PolarHBondContact NE2-O 3.42Å; Q952-L956 WeakPolarHBondContact O-CD1 3.12Å; Q952-L956 VanDerWaalsContact O-CG 3.27Å; Q952-L956 WeakPolarHBondContact O-CG 3.37Å; Q952-L956 PolarHBondContact O-N 3.2Å; L953-L956 CarbonylContact O-C 3.58Å; L953-L956 WeakPolarHBondContact O-CA 3.4Å; L953-L956 PolarHBondContact O-N 3.24Å; E954-L956 PolarHBondContact O-N 3.49Å
957T57.4Low59.5Low70 Ų70113.8 Ų113.843%0.42961%0.608SS.*Hα-helixtrans-121.2-8.5178.950.10000113.4Q862 L953 E954 E959Q862-T957 VanDerWaalsContact OE1-CG2 3.28Å; L953-T957 HydrophobicContact CG-CG2 4.47Å; L953-T957 WeakPolarHBondContact O-CB 3.46Å; L953-T957 WeakPolarHBondContact O-CG2 3.45Å; L953-T957 PolarHBondContact O-N 2.9Å; L953-T957 PolarHBondContact O-OG1 3.49Å; E954-T957 WeakPolarHBondContact CA-OG1 3.5Å; E954-T957 PolarHBondContact O-N 2.88Å; E954-T957 VanDerWaalsContact O-N 3.14Å; E954-T957 PolarHBondContact O-OG1 3.06Å; T957-E959 PolarHBondContact O-N 3.39Å
958A51.3Low56.9Low74 Ų74116.8 Ų116.861%0.61262%0.622SS**SBendtrans-58.8114.2165.200000110.4E954E954-A958 WeakPolarHBondContact O-CB 3.39Å; E954-A958 PolarHBondContact O-N 3.5Å
959E49.3Very low54.4Low178 Ų178123 Ų12383%0.83264%0.641SS**PPolyproline II helixtrans-60.7144.5175.1-70.3-170.613900111T957T957-E959 PolarHBondContact O-N 3.39Å
960P43.2Very low51.8Low117 Ų117132 Ų13276%0.7667%0.674SS**PPolyproline II helixtrans-62.1129.8171.327.5-33.7000109.2E962P960-E962 PolarHBondContact O-N 2.69Å
961P39.7Very low49.5Very low105 Ų105132.7 Ų132.768%0.68268%0.679SS**PPolyproline II helixtrans-61.4139.8-174.123.6-34000111.9H963P961-H963 VanDerWaalsContact C-N 3.25Å; P961-H963 PolarHBondContact O-N 2.95Å
962E44.8Very low46.9Very low179 Ų179139.6 Ų139.684%0.83670%0.698SS**  trans-65.473.5-178.9-68.7-163136.500113.1P960P960-E962 PolarHBondContact O-N 2.69Å
963H44Very low44.6Very low159 Ų159139.8 Ų139.874%0.73670%0.702SS**  trans-120.133.9-172.4-90.5-14.1000115.1P961P961-H963 VanDerWaalsContact C-N 3.25Å; P961-H963 PolarHBondContact O-N 2.95Å
964Y37.1Very low42.7Very low218 Ų218146.6 Ų146.686%0.85573%0.733SS**  trans-131.526.1164.4-86.4-70000116.3N966Y964-N966 PolarHBondContact O-N 3.09Å
965S40.8Very low40.5Very low104 Ų104150.1 Ų150.173%0.72775%0.749SS**  trans-74.539.1168.2-62.20000113.7
966N37.9Very low38.5Very low138 Ų138148.6 Ų148.674%0.73874%0.744SS**  trans-155.569.9177.6-100.7-55.5000112.3Y964Y964-N966 PolarHBondContact O-N 3.09Å
967L34.2Very low37Very low163 Ų163151 Ų15185%0.85376%0.757SS**  trans-110109.9156.8-154.877.7000109Q969L967-Q969 PolarHBondContact O-N 3.33Å
968H33.6Very low35.7Very low159 Ų159151.2 Ų151.274%0.73677%0.774SS**  trans-62.1134.9-174.3-111.5-79.1000112Y970H968-Y970 PolarHBondContact O-N 3.45Å
969Q31.9Very low34.7Very low167 Ų167156.6 Ų156.678%0.7879%0.786SS**  trans-63.883.2-179-173.5-178.3900112.5L967 N971L967-Q969 PolarHBondContact O-N 3.33Å; Q969-N971 PolarHBondContact O-N 3.15Å
970Y27.2Very low33.7Very low217 Ų217154.5 Ų154.585%0.85179%0.786SS**  trans-77.8106.3168.5-88.1-83.4000110.2H968 W972H968-Y970 PolarHBondContact O-N 3.45Å; Y970-W972 PolarHBondContact O-N 2.99Å; Y970-W972 VanDerWaalsContact O-N 3.11Å
971N32.3Very low33Very low122 Ų122153.9 Ų153.965%0.65278%0.784SS**  trans-64.4107.5176.4-70.2-62.7000111Q969 I973Q969-N971 PolarHBondContact O-N 3.15Å; N971-I973 HydrophobicContact CB-CG1 4.35Å; N971-I973 PolarHBondContact O-N 2.83Å
972W26.5Very low32.2Very low248 Ų248154.4 Ų154.494%0.93979%0.789SS**  trans-86.487.6162.1-158.9-92.2000109.1Y970 E974Y970-W972 PolarHBondContact O-N 2.99Å; Y970-W972 VanDerWaalsContact O-N 3.11Å; W972-E974 PolarHBondContact O-N 3.13Å
973I28.4Very low31.4Very low138 Ų138150.6 Ų150.671%0.70878%0.782SS**  trans-73.8124.4172.1-64.2178.6000108N971 E975N971-I973 HydrophobicContact CB-CG1 4.35Å; N971-I973 PolarHBondContact O-N 2.83Å; I973-E975 PolarHBondContact O-N 3.39Å; I973-E975 VanDerWaalsContact O-N 3.13Å
974E30.1Very low30.7Very low171 Ų171151.8 Ų151.880%0.79979%0.785SS**  trans-72.1101.8179.1-171.3168.8-151.500110.2W972 S976W972-E974 PolarHBondContact O-N 3.13Å; E974-S976 PolarHBondContact O-N 2.92Å
975E27.2Very low30.2Very low198 Ų198148.2 Ų148.293%0.92578%0.779SS**  trans-64.995174.2-76.4-163.4134.400110.7I973I973-E975 PolarHBondContact O-N 3.39Å; I973-E975 VanDerWaalsContact O-N 3.13Å
976S31.9Very low29.7Very low85 Ų85152.1 Ų152.159%0.59479%0.786SS**  trans-110.6131.4164.567.20000110.9E974E974-S976 PolarHBondContact O-N 2.92Å
977N29.1Very low30Very low161 Ų161151.4 Ų151.486%0.86179%0.789SS**SBendtrans70.5121.5173.6-46.3-63.5000115.6
978G30Very low29.6Very low75 Ų75147.3 Ų147.377%0.77379%0.786SS**  trans-91.5172.7-176.600000115.1
979Q29Very low29.5Very low187 Ų187147.6 Ų147.687%0.87479%0.789SS**  trans65.486.8144.5-169.4179.6-9.600117.7
980T28.5Very low29.2Very low134 Ų134143.7 Ų143.782%0.82279%0.786SS**  -166.8136.6120.911.80000116
981S28.4Very low29.9Very low103 Ų103138.5 Ų138.572%0.7278%0.779SS**  trans34.4107149.858.10000121.1
982C23.9Very low29.6Very low116 Ų116142.5 Ų142.578%0.78478%0.784SS**  85.8137.879.4-170.80000116.5
983S27.9Very low29.6Very low99 Ų99136.4 Ų136.469%0.69278%0.775SS**  trans77.8150.6165.7-5.90000117.2
984K28.3Very low29.6Very low185 Ų185135.9 Ų135.980%0.80478%0.778SS**  cis-168165.3-10.2-129.2177177.8175.70111.6
985I26.8Very low29.6Very low142 Ų142137.2 Ų137.273%0.72878%0.782SS**  trans71.698153.3-61.9158.6000118
986H30Very low30.6Very low187 Ų187133.3 Ų133.387%0.86677%0.773SS**  -74.9155.3126.8-69.5-63.7000108.2
987P45.9Very low31.4Very low123 Ų123133.9 Ų133.980%0.79978%0.775SS**  -152.7-178.958.541.9-20.6000117.7
988G24.3Very low31.4Very low77 Ų77133.2 Ų133.279%0.79477%0.771SS**  trans-172.580.6173.100000113
989M31.8Very low31.7Very low164 Ų164137.6 Ų137.681%0.80878%0.777SS**  trans-50.9144.9-179.8-61.9176.471.300113.1
990A26Very low31.7Very low86 Ų86132.3 Ų132.371%0.71177%0.773SS**  64.6168.350.200000113.1
991P42.3Very low31.9Very low107 Ų107135 Ų13570%0.69578%0.776SS**  cis-114.3-132.7-524.12.2000110.5
992R26.1Very low32.1Very low206 Ų206138.8 Ų138.878%0.77778%0.782SS**  cis-168.2123.76.5-158.7-163.3176.3168.9-0.4114.3
993T25.3Very low32.4Very low120 Ų120137.9 Ų137.974%0.73678%0.783SS**  trans62.2168.9154.251.50000117.2
994V28.5Very low32.7Very low128 Ų128138.7 Ų138.778%0.77679%0.786SS**  cis-148.4136.626.4176.10000111.6
995F30.3Very low32.6Very low199 Ų199136.2 Ų136.287%0.87379%0.791SS**  trans-101.3168.9151.5-61.3-95.8000107.8
996P49.4Very low32.8Very low115 Ų115135.8 Ų135.875%0.74780%0.8SS**  cis-136.4-129.313.836.1-9.3000109.8
997P46.8Very low32.7Very low98 Ų98129.9 Ų129.964%0.63679%0.79SS**  cis-136.2166.7-24.231.9-9.9000118.4
998D30.3Very low31.7Very low146 Ų146128.1 Ų128.178%0.78179%0.794SS**  trans45.7136.1139.1-52.6-15.6000126
999D35.1Very low32Very low168 Ų168130.5 Ų130.590%0.89879%0.793SS**  trans59.7111.3144.4-70.6-6.7000123.3
1000G29.9Very low31.7Very low76 Ų76131.1 Ų131.178%0.78479%0.794SS**  trans-156.9152.1160.400000109.9
1001Q33Very low31.9Very low190 Ų190135.2 Ų135.289%0.88880%0.803SS**  trans-92.5168.9-170.4-65.9-175.9-2900114.7
1002E31.6Very low31Very low183 Ų183135.1 Ų135.186%0.85581%0.812SS**  trans84.9132.8158.5-55.6-161.9126.700121.5
1003A30Very low30.9Very low97 Ų97129.4 Ų129.480%0.80281%0.808SS**  trans68.1148.915400000120
1004P34.3Very low31Very low116 Ų116133.4 Ų133.475%0.75382%0.816SS**  trans-97.9137.3-155.236.1-35000116.6
1005C27.7Very low31Very low133 Ų133133.5 Ų133.590%0.89982%0.817SS**  trans39.497.9140.5-57.60000119.1
1006S30Very low31Very low132 Ų132129.5 Ų129.592%0.92381%0.811SS**  trans-152.5161.8160.1-172.40000111.3
1007G27.6Very low30.2Very low63 Ų63130.1 Ų130.165%0.64982%0.815SS**  trans103.632.1158.300000119.2T1009G1007-T1009 PolarHBondContact O-N 2.9Å
1008G25.9Very low29.3Very low87 Ų87131.6 Ų131.690%0.89782%0.822SS**  trans-80.794.5165.500000112
1009T30.5Very low29.4Very low126 Ų126133 Ų13377%0.77383%0.829SS**  trans-77.9123.9-175.4-46.70000113G1007G1007-T1009 PolarHBondContact O-N 2.9Å
1010Q25.7Very low29.1Very low178 Ų178133.3 Ų133.383%0.83283%0.825SS**  169156.1124-93.2179.333.700113.8
1011L28.9Very low29Very low171 Ų171136.8 Ų136.890%0.89583%0.826SS**  trans60.594150.9-148.279000120
1012A24.1Very low28.6Very low105 Ų105133.4 Ų133.487%0.86882%0.823SS**  trans-160.1135145.800000111
1013A24.6Very low28.4Very low86 Ų86129.9 Ų129.971%0.71181%0.814SS**  trans-154.1118.2164.600000110
1014F27.2Very low28.3Very low204 Ų204135.5 Ų135.590%0.89581%0.814SS**  trans59.872.2170.3-54.1-70.1000117.9
1015T27.4Very low27.9Very low131 Ų131138.9 Ų138.980%0.80482%0.823SS**PPolyproline II helixtrans-75.2139.2140.147.90000109.8
1016P30.8Very low27.8Very low114 Ų114137.1 Ų137.174%0.7481%0.812SS**PPolyproline II helixtrans-68.4153.6161.931.7-33.8000110.2
1017P33.5Very low27.8Very low128 Ų128137.3 Ų137.383%0.83181%0.81SS**PPolyproline II helixtrans-74.3141.1-179.630.3-34.4000112.2
1018T27.1Very low27.7Very low129 Ų129140 Ų14079%0.79182%0.818SS**PPolyproline II helixtrans-71.4138.6168.943.30000111.4
1019L33.6Very low27.8Very low177 Ų177141 Ų14193%0.92781%0.812SS**  trans-10694.3159.6-17967.5000107.5
1020E27.8Very low27.7Very low173 Ų173141 Ų14181%0.80882%0.817SS**  trans-123.4137.5177.8-161172.2-151.800111.5
1021N26.8Very low27.7Very low150 Ų150136.7 Ų136.780%0.80281%0.812SS**  trans-70.4143.3-165.4-68.5-62.1000114.1
1022S25.3Very low27.6Very low118 Ų118140.4 Ų140.483%0.82581%0.814SS**  trans-144.486145.8-129.80000113.1
1023T28.3Very low27.8Very low109 Ų109139.7 Ų139.767%0.66981%0.809SS**  48.2113.4128.8-53.70000119.3
1024R27.3Very low28Very low215 Ų215144.9 Ų144.981%0.81182%0.815SS**  trans74.2108145.5-172.1-157.8-53.2-119.7-2.1118.2
1025M25Very low28Very low188 Ų188143.5 Ų143.593%0.92682%0.816SS**  trans-137.9143.5132.5-94-59.5-167.600110.4
1026S26.6Very low28Very low95 Ų95140.1 Ų140.166%0.66481%0.807SS**  trans-95.9160.2169.5-60.90000109.2
1027P29.6Very low28.1Very low137 Ų137141 Ų14189%0.8981%0.813SS**  trans-66.4147.9-174.727.5-35.5000112.4
1028S26.2Very low27.9Very low118 Ų118141.6 Ų141.683%0.82582%0.815SS**  trans-126.4140.6170.6550000110
1029S26.7Very low28.2Very low110 Ų110140.8 Ų140.877%0.76981%0.811SS**  trans-68.4131.3-171.253.40000113.3A1031S1029-A1031 VanDerWaalsContact C-N 3.25Å; S1029-A1031 PolarHBondContact O-N 3.02Å
1030S28.9Very low27.9Very low125 Ų125139.8 Ų139.887%0.87481%0.806SS**  trans-78.164.8171.344.70000112.7W1032S1030-W1032 PolarHBondContact O-N 2.94Å
1031A26.1Very low27.9Very low88 Ų88137.2 Ų137.273%0.72781%0.807SS**  trans-68121.6169.400000110.4S1029 A1033S1029-A1031 VanDerWaalsContact C-N 3.25Å; S1029-A1031 PolarHBondContact O-N 3.02Å; A1031-A1033 PolarHBondContact O-N 2.97Å
1032W27.7Very low28Very low248 Ų248136.1 Ų136.194%0.93980%0.801SS**  trans-85.798.6-170.7-158.7-4.8000111.8S1030S1030-W1032 PolarHBondContact O-N 2.94Å
1033A27.2Very low28.1Very low91 Ų91136 Ų13675%0.75280%0.799SS**  trans-104.8115.9175.800000111.6A1031A1031-A1033 PolarHBondContact O-N 2.97Å
1034K28.6Very low28.8Very low195 Ų195135.9 Ų135.985%0.84880%0.8SS**PPolyproline II helixtrans-72.1134.7171.6-75.3176177.9170.50110.2
1035L28.5Very low28.8Very low174 Ų174132.8 Ų132.891%0.91181%0.805SS**PPolyproline II helixtrans-68.6130174.5-74.8162.3000111.3
1036G27Very low29Very low60 Ų60127 Ų12762%0.61979%0.794SS**PPolyproline II helixtrans-76.5153.916000000111.3
1037P33.3Very low29.2Very low132 Ų132130 Ų13086%0.85780%0.797SS**PPolyproline II helixtrans-75.1136.5-173.729.9-34.9000112.8
1038T28.7Very low29.3Very low142 Ų142130.9 Ų130.987%0.87179%0.787SS**PPolyproline II helixtrans-87.4137.6171.413.10000111.2
1039P32.5Very low29.5Very low111 Ų111132 Ų13272%0.72178%0.784SS**PPolyproline II helixtrans-93.5142.1174.135-32.1000112.1
1040L27.4Very low29.7Very low157 Ų157131.3 Ų131.382%0.82278%0.784SS**  -174.1128.1129.7-126.779.2000112.1
1041S28.8Very low29.8Very low119 Ų119132.7 Ų132.783%0.83278%0.782SS**  trans-157.8154.6147.4-167.60000109
1042N28Very low30Very low126 Ų126133.8 Ų133.867%0.67478%0.78SS**  trans-105.2130.7-163.2-64-69.9000113.3
1043C28.3Very low30.1Very low115 Ų115130.8 Ų130.878%0.77777%0.773SS**  trans53.6159131.7-65.70000121.7
1044P41.6Very low30.4Very low107 Ų107137.8 Ų137.870%0.69580%0.797SS**  cis-144.1-173.7-35.540.7-22.9000114.3
1045V28.2Very low30.5Very low151 Ų151135 Ų13592%0.91580%0.795SS**  trans76.7137.9160178.80000118.8
1046G29Very low30.6Very low67 Ų67132.9 Ų132.969%0.69179%0.789SS**  trans121.177.8170.100000113.1
1047E29.9Very low30.8Very low158 Ų158136.9 Ų136.974%0.73880%0.798SS**  63112.698.1-80.7-149113.300117.7
1048K32.1Very low30.7Very low154 Ų154137.2 Ų137.267%0.6780%0.795SS**  trans73.2125.5135.9-72.3177.9176.8142.30123.1
1049D31.1Very low30.8Very low143 Ų143136.9 Ų136.977%0.76579%0.79SS**  67.2149.8128.9-58.4-36.2000122.2
1050A30.7Very low30.7Very low94 Ų94138.7 Ų138.778%0.77779%0.794SS**  trans66.4131.4176.500000115.9
1051D30.1Very low30.9Very low155 Ų155137.4 Ų137.483%0.82979%0.792SS**  cis76.9150.636.2-148.5-1.8000113.2
1052V30.9Very low31.1Very low111 Ų111138.8 Ų138.867%0.67379%0.789SS**  trans82.4107178.6178.50000119.2
1053F29.6Very low31.4Very low184 Ų184139.8 Ų139.881%0.80780%0.799SS**  trans32.7123.3139.2-64.1-101.4000121.2
1054L34.7Very low31.6Very low239 Ų239142.1 Ų142.1100%1.25180%0.801SS**  -160.8090-107166.8000112.9

Retrieved 1,054 of 1,054 residues in 513 ms (Link to these results)