A0A087XP16_POEFO Loading...

ITPR-interacting domain-containing protein

AlphaFold DB , UniProt , Accession A0A087XP16, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 587 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
1M37.5Very low54.6Low212 Ų212121.2 Ų121.2100%1.04458%0.583SS**  099.20-94.9-175.416200105.6L208M1-L208 HydrophobicContact CE-CD2 3.95Å; M1-L208 HydrophobicContact SD-CD2 4.19Å
2D40Very low55.2Low159 Ų159116 Ų11685%0.8558%0.575SS**PPolyproline II helixtrans-78.7130.4-169.8-49.8-55.3000109.5S4D2-S4 PolarHBondContact O-N 2.77Å
3R42.3Very low55.8Low221 Ų221121.1 Ų121.183%0.83458%0.584SS**PPolyproline II helixtrans-60.4124.4171.9-98.6179.5166.7167.8-4107.8S5R3-S5 PolarHBondContact O-N 2.59Å; R3-S5 VanDerWaalsContact O-N 3.11Å
4S49.4Very low56.1Low81 Ų81117.9 Ų117.957%0.56657%0.571SS**PPolyproline II helixtrans-56117.6173.1-54.30000109.8D2D2-S4 PolarHBondContact O-N 2.77Å
5S49.5Very low56.5Low81 Ų81116.6 Ų116.657%0.56657%0.568SS**PPolyproline II helixtrans-53.1148.5-173.5-45.10000112.4R3 T7 V8 R9R3-S5 PolarHBondContact O-N 2.59Å; R3-S5 VanDerWaalsContact O-N 3.11Å; S5-T7 PolarHBondContact O-N 2.99Å; S5-V8 WeakPolarHBondContact O-CB 3.48Å; S5-V8 PolarHBondContact O-N 3.21Å; S5-R9 PolarHBondContact O-N 3.4Å
6S56.9Low56.2Low12 Ų12113.3 Ų113.38%0.08456%0.56CS.*Hα-helixtrans-46.5-40.1-177.3-169.20000113.3V8 R9 R10 D151S6-V8 PolarHBondContact O-N 3.05Å; S6-R9 PolarHBondContact O-N 3.1Å; S6-R10 PolarHBondContact O-N 3.34Å; S6-D151 WeakPolarHBondContact CB-OD2 3.2Å
7T62.3Low55.7Low69 Ų69110.2 Ų110.242%0.42355%0.552SS.*Hα-helixtrans-61-34.7175.7-49.40000114.6S5 R11S5-T7 PolarHBondContact O-N 2.99Å; T7-R11 WeakPolarHBondContact O-CG 3.27Å; T7-R11 PolarHBondContact O-N 3.03Å; T7-R11 VanDerWaalsContact O-N 3.11Å
8V66.4Low55.4Low74 Ų74115.6 Ų115.645%0.44857%0.565SS.*Hα-helixtrans-70.6-45.4176.7-179.20000110.1S5 S6 R10 R11 A12S5-V8 WeakPolarHBondContact O-CB 3.48Å; S5-V8 PolarHBondContact O-N 3.21Å; S6-V8 PolarHBondContact O-N 3.05Å; V8-R10 VanDerWaalsContact C-N 3.35Å; V8-R10 PolarHBondContact O-N 2.93Å; V8-R11 PolarHBondContact O-N 3.32Å; V8-A12 PolarHBondContact O-N 3.44Å
9R69.3Low54.9Low123 Ų123117.3 Ų117.346%0.46457%0.571SS.*Hα-helixtrans-57.3-47.1175.1-60.8-172-71.5175.42.3110.9S5 S6 R11 A12 W13 E153S5-R9 PolarHBondContact O-N 3.4Å; S6-R9 PolarHBondContact O-N 3.1Å; R9-R11 PolarHBondContact O-N 2.92Å; R9-A12 PolarHBondContact O-N 2.83Å; R9-W13 PolarHBondContact O-N 3.47Å; R9-E153 IonicContact NH2-OE1 3.56Å; R9-E153 IonicContact NH2-OE2 3.73Å; R9-E153 PolarHBondContact NH2-OE2 2.93Å
10R60Low53.9Low147 Ų147122.3 Ų122.356%0.55558%0.584SS**Hα-helixtrans-61.2-40.7178.1-169.8176.2-68.8115.42.6113.1S6 V8 I14S6-R10 PolarHBondContact O-N 3.34Å; V8-R10 VanDerWaalsContact C-N 3.35Å; V8-R10 PolarHBondContact O-N 2.93Å; R10-I14 HydrophobicContact CG-CD1 4.37Å; R10-I14 WeakPolarHBondContact O-CG1 3.27Å; R10-I14 PolarHBondContact O-N 2.94Å
11R66.4Low53.1Low154 Ų154121.9 Ų121.958%0.58159%0.591SS**Hα-helixtrans-68.7-41.6175.3-71.5176.7-163.3151.23.1112.4T7 V8 R9 W13 I14 N15T7-R11 WeakPolarHBondContact O-CG 3.27Å; T7-R11 PolarHBondContact O-N 3.03Å; T7-R11 VanDerWaalsContact O-N 3.11Å; V8-R11 PolarHBondContact O-N 3.32Å; R9-R11 PolarHBondContact O-N 2.92Å; R11-W13 VanDerWaalsContact C-N 3.3Å; R11-W13 PolarHBondContact O-N 2.87Å; R11-I14 PolarHBondContact O-N 2.89Å; R11-N15 WeakPolarHBondContact O-CB 3.44Å; R11-N15 VanDerWaalsContact O-CG 3.27Å; R11-N15 PolarHBondContact O-N 3.43Å
12A62.3Low52.9Low59 Ų59117.8 Ų117.849%0.48858%0.578SS.*Hα-helixtrans-59.1-43.4176.300000111.3V8 R9 N15 S16V8-A12 PolarHBondContact O-N 3.44Å; R9-A12 PolarHBondContact O-N 2.83Å; A12-N15 PolarHBondContact O-N 3.33Å; A12-S16 VanDerWaalsContact O-CB 3.3Å; A12-S16 WeakPolarHBondContact O-CB 3.1Å; A12-S16 PolarHBondContact O-N 3.44Å
13W62.8Low52.6Low182 Ų182116.4 Ų116.469%0.68958%0.576SS**Hα-helixtrans-63-46176.5-171.781.2000113.1R9 R11 N15 S16 S17R9-W13 PolarHBondContact O-N 3.47Å; R11-W13 VanDerWaalsContact C-N 3.3Å; R11-W13 PolarHBondContact O-N 2.87Å; W13-N15 VanDerWaalsContact C-N 3.3Å; W13-N15 PolarHBondContact O-N 2.85Å; W13-S16 PolarHBondContact O-N 3.07Å; W13-S17 VanDerWaalsContact O-CB 3.31Å; W13-S17 WeakPolarHBondContact O-CB 3.49Å; W13-S17 PolarHBondContact O-N 3.47Å
14I60.8Low52.3Low77 Ų77114.5 Ų114.540%0.39558%0.576SS.*Hα-helixtrans-61.5-39.3176.7-68.2166.8000111.5R10 R11R10-I14 HydrophobicContact CG-CD1 4.37Å; R10-I14 WeakPolarHBondContact O-CG1 3.27Å; R10-I14 PolarHBondContact O-N 2.94Å; R11-I14 PolarHBondContact O-N 2.89Å
15N61.7Low51.4Low98 Ų98118.2 Ų118.252%0.52459%0.59SS.*Hα-helixtrans-72.9-38.2179.1-69.3-8.8000111.9R11 A12 W13 Q19R11-N15 WeakPolarHBondContact O-CB 3.44Å; R11-N15 VanDerWaalsContact O-CG 3.27Å; R11-N15 PolarHBondContact O-N 3.43Å; A12-N15 PolarHBondContact O-N 3.33Å; W13-N15 VanDerWaalsContact C-N 3.3Å; W13-N15 PolarHBondContact O-N 2.85Å; N15-Q19 PolarHBondContact O-NE2 3.19Å
16S52.2Low50.8Low63 Ų63122.4 Ų122.444%0.44161%0.605SS.*Hα-helixtrans-66.9-45.4176.1-177.70000111.5A12 W13 R18 Q19A12-S16 VanDerWaalsContact O-CB 3.3Å; A12-S16 WeakPolarHBondContact O-CB 3.1Å; A12-S16 PolarHBondContact O-N 3.44Å; W13-S16 PolarHBondContact O-N 3.07Å; S16-R18 PolarHBondContact O-N 3.47Å; S16-Q19 PolarHBondContact O-N 2.83Å
17S46.5Very low49.8Very low62 Ų62131.3 Ų131.343%0.43465%0.645SS.*THydrogen-bonded Turntrans-62.7-11.2-179.5-175.30000115.1W13W13-S17 VanDerWaalsContact O-CB 3.31Å; W13-S17 WeakPolarHBondContact O-CB 3.49Å; W13-S17 PolarHBondContact O-N 3.47Å
18R50.8Low48.2Very low207 Ų207130.8 Ų130.878%0.78165%0.654SS**THydrogen-bonded Turntrans-100.5-5.8175.8-68-176.8180-77.8-1.6113.6S16 W20S16-R18 PolarHBondContact O-N 3.47Å; R18-W20 PolarHBondContact O-N 3.05Å
19Q45.5Very low46.9Very low147 Ų147133.3 Ų133.369%0.68767%0.672SS**  trans-102.661.9-178.9-70.8171.777.900110.7N15 S16N15-Q19 PolarHBondContact O-NE2 3.19Å; S16-Q19 PolarHBondContact O-N 2.83Å
20W35.5Very low45Very low217 Ų217134.5 Ų134.582%0.82269%0.686SS**  trans-79.5128.4159.2-67.893.3000107.9R18 T22R18-W20 PolarHBondContact O-N 3.05Å; W20-T22 PolarHBondContact O-N 3.02Å
21P37.2Very low43.5Very low114 Ų114133.7 Ų133.774%0.7470%0.702SS**  trans-68.2107.7176.9-18.331.6000110.3V23P21-V23 PolarHBondContact O-N 2.92Å
22T33.2Very low41.6Very low126 Ų126133 Ų13377%0.77371%0.71SS**  trans-64.3117.4158.4-51.30000106.8W20 E24W20-T22 PolarHBondContact O-N 3.02Å; T22-E24 PolarHBondContact O-N 3.31Å; T22-E24 VanDerWaalsContact O-N 3.13Å
23V34.8Very low40Very low131 Ų131138.5 Ų138.579%0.79473%0.73SS**  trans-71107172.3175.60000107.2P21 D25P21-V23 PolarHBondContact O-N 2.92Å; V23-D25 PolarHBondContact O-N 2.81Å
24E34.3Very low38.5Very low180 Ų180134.4 Ų134.484%0.84174%0.735SS**  trans-72.1119172.3-64.8-172.3146.800109T22T22-E24 PolarHBondContact O-N 3.31Å; T22-E24 VanDerWaalsContact O-N 3.13Å
25D31.9Very low36.9Very low160 Ų160136.7 Ų136.786%0.85676%0.758SS**  trans-81.9138.4174.7-163.412.5000110.3V23 E27V23-D25 PolarHBondContact O-N 2.81Å; D25-E27 PolarHBondContact O-N 3.22Å
26L36.9Very low35.3Very low168 Ų168137.9 Ų137.988%0.8877%0.774SS**  trans-10083.2-164.1-164.480.3000111.2
27E34.3Very low34.1Very low199 Ų199139.8 Ų139.893%0.9379%0.793SS**  trans-73.6134.4-177.6-145.9-178.7-142.800113D25D25-E27 PolarHBondContact O-N 3.22Å
28G29.8Very low33.2Very low59 Ų59141.8 Ų141.861%0.60881%0.807SS**  trans-142157.3178.900000111.8
29P38.1Very low32.2Very low127 Ų127140 Ų14083%0.82581%0.811SS**  trans-92.5139.3-131.6-13.230.1000117.5
30L30.1Very low31.5Very low147 Ų147137.5 Ų137.577%0.7782%0.816SS**  trans22.1115.9142.5-89.4164000118.9
31C27.7Very low31.2Very low130 Ų130134.7 Ų134.788%0.87882%0.817SS**  trans-135.7112.1152.4-78.10000110.1
32N27.2Very low31.1Very low141 Ų141136 Ų13675%0.75482%0.818SS**  trans-71.6136174.7-64-64.4000111.1
33L29Very low31.2Very low174 Ų174137.4 Ų137.491%0.91182%0.82SS**  trans-152.4114.4144.8-140.675.2000111.1
34A30.3Very low31.5Very low95 Ų95139.3 Ų139.379%0.78583%0.826SS**  trans-82141.3172.300000110.3
35S28Very low32Very low126 Ų126135.2 Ų135.288%0.88181%0.813SS**  trans-156.5131.1151.8-83.70000110.6
36S27.7Very low32.2Very low123 Ų123136.9 Ų136.986%0.8681%0.813SS**  trans-86.7142.6-177.3171.70000111.6
37A28.3Very low32.2Very low102 Ų102134.8 Ų134.884%0.84381%0.813SS**  trans-156.7132.6145.200000110
38S26.9Very low32.4Very low104 Ų104132.3 Ų132.373%0.72781%0.806SS**  trans-87.2155179.756.70000113.1
39I28.8Very low32.7Very low170 Ų170133.5 Ų133.587%0.87281%0.81SS**  -162.7144.4124.6-94.9145.6000107
40A31.9Very low32.9Very low94 Ų94131.7 Ų131.778%0.77780%0.8SS**  trans-101.3153179.800000111.2
41D28.3Very low33.5Very low159 Ų159132.3 Ų132.385%0.8580%0.797SS**  trans-155.7159.3141.1-145.33.1000110
42D36.8Very low34.5Very low142 Ų142132.7 Ų132.776%0.75979%0.79SS**  trans-72.4148.2-166.4-69.8-73.1000116.1
43D34.5Very low35.6Very low155 Ų155127.3 Ų127.383%0.82977%0.768SS**  -170.9111.6120.9-111.7-28.2000111.6
44D41.2Very low37.4Very low171 Ų171126.1 Ų126.191%0.91476%0.755SS**  trans-96.992.4-177-151.1-3.8000109.5
45V45Very low38.7Very low94 Ų94127.8 Ų127.857%0.5775%0.75SS**  trans-130.9131.1-178.9-167.80000111.8
46F34.6Very low40.3Very low195 Ų195127.8 Ų127.886%0.85574%0.736SS**  trans90.681177.6-54.8-64.3000117.5D48F46-D48 PolarHBondContact O-N 3.49Å
47S37.9Very low41.9Very low124 Ų124127.9 Ų127.987%0.86773%0.727SS**  trans-62.8107.8152-48.50000111.3A49S47-A49 PolarHBondContact O-N 3.28Å
48D38Very low43.6Very low146 Ų146131.4 Ų131.478%0.78172%0.719SS**  trans35.877.1138.9-155.92.6000117.8F46 S50F46-D48 PolarHBondContact O-N 3.49Å; D48-S50 PolarHBondContact O-N 2.91Å
49A37.1Very low45.1Very low85 Ų85131.6 Ų131.670%0.70271%0.711SS**  trans-90.171.6164.700000110.5S47 F51S47-A49 PolarHBondContact O-N 3.28Å; A49-F51 PolarHBondContact O-N 3.44Å
50S41.1Very low46.6Very low88 Ų88129.5 Ų129.562%0.61570%0.7SS**  trans-52.4121.6178.4-175.60000112.5D48 N52D48-S50 PolarHBondContact O-N 2.91Å; S50-N52 PolarHBondContact O-N 2.75Å; S50-N52 VanDerWaalsContact O-N 3.08Å
51F44.3Very low47.5Very low161 Ų161128.3 Ų128.371%0.70670%0.698SS**  trans-71.82.5-179.6-75.1-91.7000114.1A49 G53 K54A49-F51 PolarHBondContact O-N 3.44Å; F51-G53 PolarHBondContact O-N 2.65Å; F51-K54 HydrophobicContact CD1-CD 4.3Å; F51-K54 PolarHBondContact O-N 2.93Å
52N47.3Very low48.5Very low137 Ų137125.3 Ų125.373%0.73369%0.688SS**THydrogen-bonded Turntrans-74.546.6-174-161.779.8000114.1S50S50-N52 PolarHBondContact O-N 2.75Å; S50-N52 VanDerWaalsContact O-N 3.08Å
53G51.7Low48.9Very low28 Ų28120.9 Ų120.929%0.28968%0.676SS.*THydrogen-bonded Turntrans-156.3-14.6178.600000115F51 I55 E56 N57F51-G53 PolarHBondContact O-N 2.65Å; G53-I55 PolarHBondContact O-N 3.07Å; G53-E56 PolarHBondContact O-N 3.21Å; G53-N57 WeakPolarHBondContact O-CB 3.42Å; G53-N57 PolarHBondContact O-N 3.2Å
54K66.7Low49.2Very low149 Ų149119 Ų11965%0.64868%0.675SS**Hα-helixtrans-62.6-40.5-176.4-82.5-174.4177.2177.80113.6F51 W58F51-K54 HydrophobicContact CD1-CD 4.3Å; F51-K54 PolarHBondContact O-N 2.93Å; K54-W58 VanDerWaalsContact O-CB 3.31Å; K54-W58 WeakPolarHBondContact O-CB 3.32Å; K54-W58 PolarHBondContact O-N 3.44Å; K54-W58 VanDerWaalsContact O-N 3.12Å
55I56.4Low49.2Very low130 Ų130118.5 Ų118.567%0.66767%0.672SS**Hα-helixtrans-74-40.1179-63.8171.4000110.5G53 W58 L59G53-I55 PolarHBondContact O-N 3.07Å; I55-W58 PolarHBondContact O-N 3.4Å; I55-L59 HydrophobicContact CG2-CD1 4Å; I55-L59 HydrophobicContact CG2-CG 4.44Å; I55-L59 WeakPolarHBondContact O-CB 3.39Å; I55-L59 VanDerWaalsContact O-CG 3.3Å; I55-L59 WeakPolarHBondContact O-CG 3.43Å; I55-L59 PolarHBondContact O-N 3.1Å
56E61.5Low48.8Very low127 Ų127120.4 Ų120.459%0.59368%0.684SS**Hα-helixtrans-66.1-44.1176.7-65.1-168.9153.100112G53 W58 L59 L60G53-E56 PolarHBondContact O-N 3.21Å; E56-W58 VanDerWaalsContact C-N 3.28Å; E56-W58 PolarHBondContact O-N 3.37Å; E56-L59 PolarHBondContact O-N 2.89Å; E56-L60 WeakPolarHBondContact O-CB 3.43Å; E56-L60 VanDerWaalsContact O-CG 3.27Å; E56-L60 WeakPolarHBondContact O-CG 3.38Å; E56-L60 PolarHBondContact O-N 3.23Å
57N62.7Low48.6Very low124 Ų124121.8 Ų121.866%0.66368%0.683SS**Hα-helixtrans-62.3-34.2173.4-105.440.1000112.6G53 G61G53-N57 WeakPolarHBondContact O-CB 3.42Å; G53-N57 PolarHBondContact O-N 3.2Å; N57-G61 PolarHBondContact O-N 3.11Å
58W63.6Low48.4Very low177 Ų177122.7 Ų122.767%0.6768%0.678SS**Hα-helixtrans-71.8-40.3177-175.577.2000111.9K54 I55 E56 G61 C62K54-W58 VanDerWaalsContact O-CB 3.31Å; K54-W58 WeakPolarHBondContact O-CB 3.32Å; K54-W58 PolarHBondContact O-N 3.44Å; K54-W58 VanDerWaalsContact O-N 3.12Å; I55-W58 PolarHBondContact O-N 3.4Å; E56-W58 VanDerWaalsContact C-N 3.28Å; E56-W58 PolarHBondContact O-N 3.37Å; W58-G61 PolarHBondContact O-N 3.22Å; W58-C62 PolarHBondContact O-N 3.11Å; W58-C62 PolarHBondContact O-SG 2.87Å
59L58.4Low48.2Very low107 Ų107122.9 Ų122.956%0.5667%0.674SS**Hα-helixtrans-65.1-39.2172.8-70.7169.8000112I55 E56 C62I55-L59 HydrophobicContact CG2-CD1 4Å; I55-L59 HydrophobicContact CG2-CG 4.44Å; I55-L59 WeakPolarHBondContact O-CB 3.39Å; I55-L59 VanDerWaalsContact O-CG 3.3Å; I55-L59 WeakPolarHBondContact O-CG 3.43Å; I55-L59 PolarHBondContact O-N 3.1Å; E56-L59 PolarHBondContact O-N 2.89Å; L59-C62 PolarHBondContact O-N 3.4Å
60L59.5Low47.9Very low126 Ų126126.2 Ų126.266%0.6668%0.68SS**Hα-helixtrans-66.9-38.8173.1-72.4166.4000112E56 C62 G63E56-L60 WeakPolarHBondContact O-CB 3.43Å; E56-L60 VanDerWaalsContact O-CG 3.27Å; E56-L60 WeakPolarHBondContact O-CG 3.38Å; E56-L60 PolarHBondContact O-N 3.23Å; L60-C62 VanDerWaalsContact C-N 3.26Å; L60-C62 PolarHBondContact O-N 2.67Å; L60-G63 PolarHBondContact O-N 2.87Å
61G51.5Low47.6Very low70 Ų70127.2 Ų127.272%0.72269%0.687SS**Hα-helixtrans-67.3-21.5178.100000114.8N57 W58 G63N57-G61 PolarHBondContact O-N 3.11Å; W58-G61 PolarHBondContact O-N 3.22Å; G61-G63 VanDerWaalsContact C-N 3.31Å
62C48.4Very low46.9Very low96 Ų96130.9 Ų130.965%0.64970%0.696SS**THydrogen-bonded Turntrans-83.1-6.3171.3-68.50000113.3W58 L59 L60W58-C62 PolarHBondContact O-N 3.11Å; W58-C62 PolarHBondContact O-SG 2.87Å; L59-C62 PolarHBondContact O-N 3.4Å; L60-C62 VanDerWaalsContact C-N 3.26Å; L60-C62 PolarHBondContact O-N 2.67Å
63G46.2Very low46.1Very low49 Ų49132.8 Ų132.851%0.50570%0.7SS.*SBendtrans-104.8116.2-175.300000113.7L60 G61L60-G63 PolarHBondContact O-N 2.87Å; G61-G63 VanDerWaalsContact C-N 3.31Å
64S40.9Very low45Very low114 Ų114139.1 Ų139.180%0.79773%0.727SS**  trans71.895.1164.8179.40000118
65D40.7Very low43.1Very low161 Ų161137.1 Ų137.186%0.86173%0.731SS**  trans-127.567.7143.7-151.2-0.2000111
66V35.8Very low41.9Very low135 Ų135141.3 Ų141.382%0.81875%0.745SS**  trans-131.591.7163.5-177.80000108.7
67R30Very low40.4Very low223 Ų223138.5 Ų138.584%0.84275%0.75SS**  trans-92.3111.3175.1-178.2-165.5-178.5170.32.1110.2
68L35.1Very low38.9Very low144 Ų144138.6 Ų138.675%0.75476%0.76SS**  -171.8130.2126.5-125.384.2000113
69E33.8Very low37.2Very low149 Ų149134.8 Ų134.870%0.69677%0.767SS**  trans32.7107.3134.2-62.7-67.3156.600119
70N30.7Very low36.5Very low156 Ų156138 Ų13883%0.83478%0.784SS**  -170.6133.8100.6-98.6-64.7000112.3
71S33.8Very low35.1Very low108 Ų108141.1 Ų141.176%0.75580%0.795SS**  trans-72.4132.1173.3-75.10000112.3
72R29.6Very low34.1Very low239 Ų239142.1 Ų142.190%0.90280%0.796SS**  trans-169.698.9140.7-102.5160.7-133.9-146.74.3111.4
73Q32.1Very low33.5Very low176 Ų176144.7 Ų144.782%0.82280%0.803SS**  32.9143.7127.4-163.2170.21.800120.4
74L28.4Very low33.1Very low162 Ų162148.1 Ų148.185%0.84882%0.815SS**  trans95132.4175-53.6172.2000113.1
75S26.2Very low33Very low106 Ų106151.7 Ų151.774%0.74182%0.816SS**  cis176.8137.6-13.2177.50000103.7
76F31.2Very low33Very low219 Ų219150.4 Ų150.496%0.96182%0.819SS**  trans-64.2148170.1-89.3-105.5000110.9
77G30.1Very low33.7Very low67 Ų67150.6 Ų150.669%0.69182%0.815SS**  trans158104.8163.700000116.2
78S30.1Very low34.3Very low126 Ų126146.1 Ų146.188%0.88181%0.808SS**  trans43.9123.3149.5-58.30000121.1
79A29.9Very low34.7Very low98 Ų98146.3 Ų146.381%0.8181%0.809SS**  165.512891.200000112
80L42.2Very low35.2Very low174 Ų174144 Ų14491%0.91181%0.809SS**  trans-70.8144.6152.4-71.5159000108.4
81Q31.6Very low35.9Very low192 Ų192144.7 Ų144.790%0.89781%0.812SS**  trans143.1144.1134.9-169.5170.742.700114.9
82A29.4Very low35.9Very low90 Ų90143.4 Ų143.474%0.74482%0.815SS**  trans76.4124.4159.100000120.9
83N35.2Very low36.8Very low150 Ų150136.6 Ų136.680%0.80281%0.811SS**  trans-40.6154.8146.6-65.1-15.6000112.6
84T37.8Very low37.2Very low121 Ų121136.2 Ų136.274%0.74281%0.814SS**  161.3126.5112.7-650000109.8
85F39.4Very low37.8Very low189 Ų189132.1 Ų132.183%0.82981%0.811SS**  trans22.7121.8161-73.7-110.2000119.8
86C40.1Very low38.3Very low135 Ų135132 Ų13291%0.91281%0.81SS**  -145124.1117.1-93.90000109.9
87D50.3Low38.4Very low138 Ų138127.7 Ų127.774%0.73880%0.802SS**  trans-92116.4171.3-177.423.6000106.7
88D42.8Very low38.6Very low129 Ų129130.9 Ų130.969%0.6981%0.808SS**  trans-138.384.3177.8-166.3-15.2000110.6S90D88-S90 VanDerWaalsContact C-N 3.33Å; D88-S90 PolarHBondContact O-N 3.38Å; D88-S90 PolarHBondContact OD1-OG 2.95Å
89L44.4Very low38.9Very low148 Ų148133.7 Ų133.778%0.77581%0.805SS**  trans-81.676.3170.1-71.6172.6000110.7L91L89-L91 PolarHBondContact O-N 3.1Å
90S45.1Very low39Very low102 Ų102139 Ų13971%0.71381%0.805SS**  trans-80.798.8168.1-770000111.1D88 G92D88-S90 VanDerWaalsContact C-N 3.33Å; D88-S90 PolarHBondContact O-N 3.38Å; D88-S90 PolarHBondContact OD1-OG 2.95Å; S90-G92 PolarHBondContact O-N 3.06Å
91L44Very low38.4Very low170 Ų170136.7 Ų136.789%0.8980%0.798SS**  trans-66.2114.4178.6-68.6162.8000112L89L89-L91 PolarHBondContact O-N 3.1Å
92G34.4Very low38.6Very low80 Ų80133.2 Ų133.283%0.82580%0.795SS**  trans-109.1107.4168.400000110.9S90S90-G92 PolarHBondContact O-N 3.06Å
93A47.8Very low38.7Very low97 Ų97140 Ų14080%0.80280%0.802SS**  trans-125.590.3-174.800000112.4
94D40.3Very low38.9Very low168 Ų168141.1 Ų141.190%0.89881%0.806SS**  trans-170.2174.6157.155.22.7000110.5
95G41.6Very low38.7Very low75 Ų75140.4 Ų140.477%0.77380%0.801SS**  trans128.93417800000117.2
96S35.9Very low38.3Very low105 Ų105138.3 Ų138.373%0.73480%0.799SS**  trans-80.5154.11631630000110.9
97T35Very low38Very low128 Ų128139.6 Ų139.679%0.78580%0.795SS**  trans70139.3-175.7670000114.2
98V34.3Very low37Very low134 Ų134138.7 Ų138.781%0.81280%0.799SS**  cis-140.8145.730.1169.30000112.1
99F35.4Very low36.8Very low185 Ų185138.2 Ų138.281%0.81180%0.801SS**  trans-68.2149.4168.3-85.9-113.3000112.2
100Y31.3Very low36.4Very low208 Ų208136.9 Ų136.982%0.81680%0.801SS**  175.3129.2116.4-105.5-74000114.3
101T31.5Very low36Very low127 Ų127139.7 Ų139.778%0.77981%0.807SS**  trans65.5142.8167.276.20000116.3
102S34.3Very low35.5Very low118 Ų118139.2 Ų139.283%0.82580%0.801SS**  cis-139.31647.4-101.80000112.3
103R32.5Very low35.3Very low234 Ų234145 Ų14588%0.88380%0.803SS**  trans-77.8127.3-173-66.8170.1-84.7-147.4-5.9113.1
104I39.4Very low34.6Very low172 Ų172147.5 Ų147.588%0.88280%0.802SS**  trans-131.7139.4139.7-63.9-174.4000107.5
105T34Very low34.3Very low106 Ų106144.5 Ų144.565%0.6579%0.793SS**  trans-101.4129.4-166.345.70000114.1
106N30.1Very low34.1Very low146 Ų146146.2 Ų146.278%0.78179%0.791SS**  trans81.8143.5139.7-57.9-15.4000121
107I33.8Very low34.2Very low162 Ų162146.7 Ų146.783%0.83179%0.791SS**  trans71.875.4170-40.7177.3000115
108S29.9Very low34.2Very low118 Ų118145.1 Ų145.183%0.82579%0.786SS**  trans-138.4119.3144.1-74.80000108.4
109T37.8Very low34.5Very low119 Ų119146.6 Ų146.673%0.7379%0.788SS**  trans-60.5130175.343.80000109.7L111T109-L111 PolarHBondContact O-N 2.9Å
110P36.5Very low34.6Very low120 Ų120144.2 Ų144.278%0.77978%0.784SS**  trans-67.5110171.228-31.5000108.1Q112P110-Q112 PolarHBondContact O-N 3.11Å
111L36.5Very low35.5Very low161 Ų161142.7 Ų142.784%0.84379%0.789SS**  trans-56.1113.7164.7-12083.1000106.7T109 K113T109-L111 PolarHBondContact O-N 2.9Å; L111-K113 PolarHBondContact O-N 2.94Å; L111-K113 VanDerWaalsContact O-N 3.1Å
112Q32.9Very low35.9Very low160 Ų160139.1 Ų139.175%0.74878%0.777SS**  trans-60.4119168.6-68.1178.87.900106.4P110 L114P110-Q112 PolarHBondContact O-N 3.11Å; Q112-L114 PolarHBondContact O-N 3.42Å
113K31Very low36.5Very low201 Ų201142.2 Ų142.287%0.87478%0.778SS**  trans-62.292.7161.4-80.4-176.6175.3-179.90106.3L111 C115L111-K113 PolarHBondContact O-N 2.94Å; L111-K113 VanDerWaalsContact O-N 3.1Å; K113-C115 PolarHBondContact O-N 3.24Å
114L31.8Very low36.8Very low151 Ų151136.6 Ų136.679%0.79178%0.775SS**  trans-67.685.3167.3-69.5171.5000106.8Q112Q112-L114 PolarHBondContact O-N 3.42Å
115C35.1Very low37.1Very low104 Ų104137.6 Ų137.670%0.70378%0.778SS**  trans-52.4131.2155.4-69.70000106.7K113K113-C115 PolarHBondContact O-N 3.24Å
116P37.1Very low37.7Very low111 Ų111137 Ų13772%0.72178%0.784SS**  trans-55.6144170.226-33.8000108.2S118P116-S118 PolarHBondContact O-N 2.65Å
117P38.1Very low37.8Very low115 Ų115135.9 Ų135.975%0.74779%0.788SS**  trans-61.4106.6-177.424.9-33000108.8L119P117-L119 PolarHBondContact O-N 2.87Å
118S35.5Very low38Very low96 Ų96133.8 Ų133.867%0.67179%0.787SS**  trans-61.4110.2171.951.30000107.4P116 N120P116-S118 PolarHBondContact O-N 2.65Å; S118-N120 PolarHBondContact O-N 3.1Å; S118-N120 PolarHBondContact O-ND2 3.02Å; S118-N120 PolarHBondContact OG-ND2 3.31Å
119L40.7Very low38.1Very low165 Ų165133.9 Ų133.986%0.86479%0.787SS**  trans-68.779.2179.8-64.5177.9000109.1P117 L121P117-L119 PolarHBondContact O-N 2.87Å; L119-L121 VanDerWaalsContact C-N 3.29Å; L119-L121 PolarHBondContact O-N 3.49Å
120N36.4Very low38.3Very low135 Ų135136.4 Ų136.472%0.72280%0.795SS**  trans-65.895.9166.7-80.8-82.7000107.1S118 G122S118-N120 PolarHBondContact O-N 3.1Å; S118-N120 PolarHBondContact O-ND2 3.02Å; S118-N120 PolarHBondContact OG-ND2 3.31Å; N120-G122 PolarHBondContact O-N 3.01Å
121L50.3Low38.2Very low176 Ų176135.8 Ų135.892%0.92179%0.794SS**  trans-71.460.4168.8-167.767.1000109L119L119-L121 VanDerWaalsContact C-N 3.29Å; L119-L121 PolarHBondContact O-N 3.49Å
122G39.3Very low38.4Very low52 Ų52134.3 Ų134.354%0.53680%0.797SS.*  trans-115110.8-175.300000109.8N120 S124N120-G122 PolarHBondContact O-N 3.01Å; G122-S124 PolarHBondContact O-N 2.83Å
123H47.1Very low38.6Very low182 Ų182130.7 Ų130.784%0.84379%0.789SS**  trans-49.4128.1-175.9-52.5-83.4000113.2
124S40.3Very low39.1Very low117 Ų117127 Ų12782%0.81878%0.784SS**  trans-130.793.7166.7-75.20000110.1G122 A126G122-S124 PolarHBondContact O-N 2.83Å; S124-A126 PolarHBondContact O-N 2.98Å
125M44.1Very low39.8Very low193 Ų193130.1 Ų130.195%0.95179%0.785SS**  trans-84.374176.7-7017452.500111.5
126A46.9Very low40.5Very low94 Ų94132.6 Ų132.678%0.77778%0.784SS**  trans-176.684.7159.100000113.3S124S124-A126 PolarHBondContact O-N 2.98Å
127S32.4Very low41Very low121 Ų121133.1 Ų133.185%0.84679%0.785SS**  trans-168.7124.2146.243.50000110.3
128S39.4Very low41.7Very low118 Ų118130.5 Ų130.583%0.82577%0.767SS**  trans-114.497.8-176.854.70000110.6
129C31Very low42.7Very low121 Ų121131.7 Ų131.782%0.81878%0.775SS**  trans-135.1138.4168.6-61.70000108.5S131C129-S131 PolarHBondContact O-N 2.7Å
130L42.8Very low44.2Very low171 Ų171126.3 Ų126.390%0.89575%0.751SS**  trans-63.2114.6-171.8-88.760.7000112.9
131S33.9Very low45.9Very low108 Ų108125 Ų12576%0.75575%0.748SS**  trans-113.7108.9152.6-81.70000109C129 S133C129-S131 PolarHBondContact O-N 2.7Å; S131-S133 PolarHBondContact O-N 3.08Å
132S39.7Very low47.1Very low130 Ų130120.6 Ų120.691%0.90973%0.732SS**  trans-75.753.1171.6-64.30000111.7
133S38.7Very low48.5Very low84 Ų84121.8 Ų121.859%0.58772%0.724SS**  trans-122103.1168.3-177.80000108.5S131 W135S131-S133 PolarHBondContact O-N 3.08Å; S133-W135 VanDerWaalsContact C-N 3.26Å; S133-W135 PolarHBondContact O-N 2.8Å
134T40.8Very low49.7Very low124 Ų124116.1 Ų116.176%0.76170%0.702SS**  trans-71.388.1167.154.40000107.9K136T134-K136 PolarHBondContact O-N 3.15Å
135W46.5Very low51.3Low216 Ų216115.7 Ų115.782%0.81869%0.69SS**  trans-65.691.3166.958.2-83.8000107.8S133S133-W135 VanDerWaalsContact C-N 3.26Å; S133-W135 PolarHBondContact O-N 2.8Å
136K49.6Very low52.4Low155 Ų155113.1 Ų113.167%0.67468%0.675SS**  trans-64.6136.3170.6-68.7177.1-179.8172.80107.2T134 V138T134-K136 PolarHBondContact O-N 3.15Å; K136-V138 PolarHBondContact O-N 3.37Å
137T48.5Very low53.2Low122 Ų122113.6 Ų113.675%0.74866%0.664SS**  trans-61.8100.8171.6-45.90000108.6S139T137-S139 PolarHBondContact O-N 2.83Å
138V50.9Low54.5Low60 Ų60112.4 Ų112.436%0.36465%0.654SS.*  trans-61.1108.7-178.7-71.30000109.7K136 E143 V144 I147K136-V138 PolarHBondContact O-N 3.37Å; V138-E143 HydrophobicContact CB-CB 4.47Å; V138-E143 HydrophobicContact CB-CG 4.47Å; V138-E143 HydrophobicContact CG1-CB 4.34Å; V138-E143 HydrophobicContact CG1-CG 3.86Å; V138-V144 HydrophobicContact CB-CG2 4.07Å; V138-V144 HydrophobicContact CG2-CG2 3.6Å; V138-I147 HydrophobicContact CG1-CD1 3.97Å
139S56.6Low55.7Low121 Ų121110.7 Ų110.785%0.84664%0.642SS**  trans-96.80.9-17565.50000113.1T137T137-S139 PolarHBondContact O-N 2.83Å
140S73.1Confident57.4Low52 Ų52110.3 Ų110.336%0.36463%0.629SS.*  trans-128.9134.2-178.2-178.20000111.6S142 E143 V144S140-S142 PolarHBondContact O-N 3.39Å; S140-S142 PolarHBondContact OG-N 2.85Å; S140-E143 PolarHBondContact O-N 3.42Å; S140-V144 PolarHBondContact O-N 3.06Å
141V71.4Confident59.1Low109 Ų109105.2 Ų105.266%0.66160%0.602SS**Hα-helixtrans-57.1-30.8170.8176.10000110.8E143 V144 L145V141-E143 PolarHBondContact O-N 3.04Å; V141-V144 PolarHBondContact O-N 3.37Å; V141-L145 HydrophobicContact CG1-CD1 3.86Å; V141-L145 HydrophobicContact CG1-CG 4.14Å; V141-L145 VanDerWaalsContact O-CB 3.3Å; V141-L145 WeakPolarHBondContact O-CB 3.49Å; V141-L145 VanDerWaalsContact O-CG 3.25Å; V141-L145 WeakPolarHBondContact O-CG 3.45Å; V141-L145 PolarHBondContact O-N 2.73Å
142S75.1Confident61Low83 Ų83103.2 Ų103.258%0.5859%0.592SS**Hα-helixtrans-68.2-31.7176.2-530000113.3S140 Q146S140-S142 PolarHBondContact O-N 3.39Å; S140-S142 PolarHBondContact OG-N 2.85Å; S142-Q146 VanDerWaalsContact O-CB 3.22Å; S142-Q146 WeakPolarHBondContact O-CB 3.28Å; S142-Q146 PolarHBondContact O-N 2.78Å
143E70.6Confident62.7Low76 Ų76102.3 Ų102.336%0.35557%0.573SS.*Hα-helixtrans-76.2-37.2178.5-162.4172.2-15700110.2V138 S140 V141 Q146 I147V138-E143 HydrophobicContact CB-CB 4.47Å; V138-E143 HydrophobicContact CB-CG 4.47Å; V138-E143 HydrophobicContact CG1-CB 4.34Å; V138-E143 HydrophobicContact CG1-CG 3.86Å; S140-E143 PolarHBondContact O-N 3.42Å; V141-E143 PolarHBondContact O-N 3.04Å; E143-Q146 PolarHBondContact O-N 2.91Å; E143-I147 WeakPolarHBondContact O-CG1 3.44Å; E143-I147 PolarHBondContact O-N 3.47Å
144V71.5Confident64.5Low63 Ų63102.9 Ų102.938%0.38257%0.567SS.*Hα-helixtrans-64.7-46.3168.9179.10000111.3V138 S140 V141 Q146 I147 C148V138-V144 HydrophobicContact CB-CG2 4.07Å; V138-V144 HydrophobicContact CG2-CG2 3.6Å; S140-V144 PolarHBondContact O-N 3.06Å; V141-V144 PolarHBondContact O-N 3.37Å; V144-Q146 PolarHBondContact O-N 3.29Å; V144-I147 PolarHBondContact O-N 3.31Å; V144-C148 WeakPolarHBondContact O-CB 3.44Å; V144-C148 PolarHBondContact O-N 3.2Å; V144-C148 PolarHBondContact O-SG 2.94Å; V144-C148 VanDerWaalsContact O-SG 3.32Å
145L73.1Confident66.3Low109 Ų10999.3 Ų99.357%0.57155%0.545SS*.Hα-helixtrans-65.8-24.6176-74.3174.8000112.5V141 C148 S149V141-L145 HydrophobicContact CG1-CD1 3.86Å; V141-L145 HydrophobicContact CG1-CG 4.14Å; V141-L145 VanDerWaalsContact O-CB 3.3Å; V141-L145 WeakPolarHBondContact O-CB 3.49Å; V141-L145 VanDerWaalsContact O-CG 3.25Å; V141-L145 WeakPolarHBondContact O-CG 3.45Å; V141-L145 PolarHBondContact O-N 2.73Å; L145-C148 CarbonylContact O-C 3.36Å; L145-S149 WeakPolarHBondContact O-CB 3.49Å; L145-S149 PolarHBondContact O-N 3.2Å
146Q68.8Low68Low138 Ų13893.1 Ų93.165%0.64553%0.527SS*.Hα-helixtrans-74.2-43.2172.9-175.6172-5.300111.3S142 E143 V144 C148 S149S142-Q146 VanDerWaalsContact O-CB 3.22Å; S142-Q146 WeakPolarHBondContact O-CB 3.28Å; S142-Q146 PolarHBondContact O-N 2.78Å; E143-Q146 PolarHBondContact O-N 2.91Å; V144-Q146 PolarHBondContact O-N 3.29Å; Q146-C148 VanDerWaalsContact C-N 3.27Å; Q146-C148 PolarHBondContact O-N 3.31Å; Q146-S149 WeakPolarHBondContact CA-OG 3.34Å; Q146-S149 WeakPolarHBondContact O-CB 3.46Å; Q146-S149 PolarHBondContact O-N 3.1Å; Q146-S149 PolarHBondContact O-OG 2.83Å
147I62.7Low69.4Low105 Ų10591.3 Ų91.354%0.53852%0.517SS..Hα-helixtrans-63.4-34.9170.9-65.3161.6000111V138 E143 V144 S149V138-I147 HydrophobicContact CG1-CD1 3.97Å; E143-I147 WeakPolarHBondContact O-CG1 3.44Å; E143-I147 PolarHBondContact O-N 3.47Å; V144-I147 PolarHBondContact O-N 3.31Å; I147-S149 VanDerWaalsContact C-N 3.29Å
148C59.5Low70.9Confident95 Ų9592.8 Ų92.864%0.64252%0.516SS*.THydrogen-bonded Turntrans-85.66.4172.2-61.20000113.7V144 L145 Q146V144-C148 WeakPolarHBondContact O-CB 3.44Å; V144-C148 PolarHBondContact O-N 3.2Å; V144-C148 PolarHBondContact O-SG 2.94Å; V144-C148 VanDerWaalsContact O-SG 3.32Å; L145-C148 CarbonylContact O-C 3.36Å; Q146-C148 VanDerWaalsContact C-N 3.27Å; Q146-C148 PolarHBondContact O-N 3.31Å
149S64.5Low72.5Confident82 Ų8295.4 Ų95.457%0.57353%0.527SS*.THydrogen-bonded Turntrans-97.12.3173.573.20000113.2L145 Q146 I147 D151L145-S149 WeakPolarHBondContact O-CB 3.49Å; L145-S149 PolarHBondContact O-N 3.2Å; Q146-S149 WeakPolarHBondContact CA-OG 3.34Å; Q146-S149 WeakPolarHBondContact O-CB 3.46Å; Q146-S149 PolarHBondContact O-N 3.1Å; Q146-S149 PolarHBondContact O-OG 2.83Å; I147-S149 VanDerWaalsContact C-N 3.29Å; S149-D151 PolarHBondContact O-N 3.49Å
150E67.4Low73.2Confident114 Ų11492.6 Ų92.653%0.53352%0.517SS..SBendtrans-45.4132166.1-136.963.2-10400109.4A152E150-A152 PolarHBondContact O-N 3.5Å
151D77.2Confident73.1Confident63 Ų6397.8 Ų97.834%0.33753%0.533SS..  trans-60134.2-176-158.9-34.6000108.2S6 S149 E153 E154 T155S6-D151 WeakPolarHBondContact CB-OD2 3.2Å; S149-D151 PolarHBondContact O-N 3.49Å; D151-E153 HydrophobicContact CB-CB 4.49Å; D151-E153 PolarHBondContact O-N 2.85Å; D151-E153 VanDerWaalsContact O-N 3.16Å; D151-E153 PolarHBondContact OD1-N 3.31Å; D151-E153 VanDerWaalsContact OD1-N 3.11Å; D151-E154 HydrophobicContact CB-CB 4.3Å; D151-E154 PolarHBondContact O-N 2.95Å; D151-T155 WeakPolarHBondContact O-CB 3.47Å; D151-T155 PolarHBondContact O-N 3.38Å; D151-T155 PolarHBondContact O-OG1 3.45Å
152A75.1Confident72.8Confident66 Ų6694.2 Ų94.255%0.54552%0.518SS..Hα-helixtrans-59.9-27.1175.900000110.6E150 L156E150-A152 PolarHBondContact O-N 3.5Å; A152-L156 WeakPolarHBondContact O-CB 3.43Å; A152-L156 WeakPolarHBondContact O-CD1 3.47Å; A152-L156 WeakPolarHBondContact O-CG 3.47Å; A152-L156 PolarHBondContact O-N 3.35Å
153E74.7Confident72Confident111 Ų11195.6 Ų95.652%0.51953%0.527SS..Hα-helixtrans-62-51.6171-165.5173.6157.700111.7R9 D151 L156 Y157R9-E153 IonicContact NH2-OE1 3.56Å; R9-E153 IonicContact NH2-OE2 3.73Å; R9-E153 PolarHBondContact NH2-OE2 2.93Å; D151-E153 HydrophobicContact CB-CB 4.49Å; D151-E153 PolarHBondContact O-N 2.85Å; D151-E153 VanDerWaalsContact O-N 3.16Å; D151-E153 PolarHBondContact OD1-N 3.31Å; D151-E153 VanDerWaalsContact OD1-N 3.11Å; E153-L156 PolarHBondContact O-N 2.89Å; E153-Y157 WeakPolarHBondContact O-CB 3.45Å; E153-Y157 PolarHBondContact O-N 2.89Å
154E76.4Confident71.7Confident96 Ų9699.6 Ų99.645%0.44955%0.546SS..Hα-helixtrans-68.8-43.5-179.8-163.468-16200111.4D151 L156 Y157 E158D151-E154 HydrophobicContact CB-CB 4.3Å; D151-E154 PolarHBondContact O-N 2.95Å; E154-L156 VanDerWaalsContact C-N 3.3Å; E154-L156 PolarHBondContact O-N 3.35Å; E154-Y157 CarbonylContact O-C 3.59Å; E154-Y157 WeakPolarHBondContact O-CA 3.4Å; E154-Y157 WeakPolarHBondContact O-CB 3.49Å; E154-Y157 PolarHBondContact O-N 2.86Å; E154-E158 PolarHBondContact O-N 3.35Å
155T78.5Confident71.5Confident49 Ų49103.8 Ų103.830%0.30156%0.561SS.*Hα-helixtrans-59.1-42.1177.1-510000111.3D151 Y157 L159D151-T155 WeakPolarHBondContact O-CB 3.47Å; D151-T155 PolarHBondContact O-N 3.38Å; D151-T155 PolarHBondContact O-OG1 3.45Å; T155-Y157 VanDerWaalsContact C-N 3.35Å; T155-L159 HydrophobicContact CG2-CD1 4.09Å; T155-L159 WeakPolarHBondContact O-CB 3.09Å; T155-L159 WeakPolarHBondContact O-CD1 3.38Å; T155-L159 WeakPolarHBondContact O-CG 3.04Å; T155-L159 PolarHBondContact O-N 3.03Å; T155-L159 VanDerWaalsContact O-N 3.09Å
156L81.8Confident70.8Confident86 Ų86103.4 Ų103.445%0.4557%0.565SS.*Hα-helixtrans-71.4-30.2175.7-72.9171.3000112.2A152 E153 E154 G160 F161 G162A152-L156 WeakPolarHBondContact O-CB 3.43Å; A152-L156 WeakPolarHBondContact O-CD1 3.47Å; A152-L156 WeakPolarHBondContact O-CG 3.47Å; A152-L156 PolarHBondContact O-N 3.35Å; E153-L156 PolarHBondContact O-N 2.89Å; E154-L156 VanDerWaalsContact C-N 3.3Å; E154-L156 PolarHBondContact O-N 3.35Å; L156-G160 PolarHBondContact O-N 2.91Å; L156-F161 HydrophobicContact CB-CB 4.23Å; L156-F161 HydrophobicContact CD2-CB 4.11Å; L156-F161 HydrophobicContact CD2-CD2 3.73Å; L156-F161 HydrophobicContact CD2-CE2 4.49Å; L156-F161 HydrophobicContact CD2-CG 4.13Å; L156-F161 WeakPolarHBondContact O-CA 3.11Å; L156-F161 WeakPolarHBondContact O-CB 3.38Å; L156-F161 PolarHBondContact O-N 3.05Å; L156-G162 PolarHBondContact O-N 3.03Å
157Y80.3Confident70.2Confident118 Ų118100.8 Ų100.846%0.46355%0.553SS.*Hα-helixtrans-68-48.5173.9-174.6-103.1000111.8E153 E154 T155 L159 G160E153-Y157 WeakPolarHBondContact O-CB 3.45Å; E153-Y157 PolarHBondContact O-N 2.89Å; E154-Y157 CarbonylContact O-C 3.59Å; E154-Y157 WeakPolarHBondContact O-CA 3.4Å; E154-Y157 WeakPolarHBondContact O-CB 3.49Å; E154-Y157 PolarHBondContact O-N 2.86Å; T155-Y157 VanDerWaalsContact C-N 3.35Å; Y157-L159 VanDerWaalsContact C-N 3.31Å; Y157-L159 PolarHBondContact O-N 3.39Å; Y157-G160 WeakPolarHBondContact O-CA 3.29Å; Y157-G160 PolarHBondContact O-N 2.95Å
158E80.8Confident70Confident152 Ų15299.3 Ų99.371%0.7155%0.548SS*.Hα-helixtrans-60.7-38.3175.4-69.9-168.2155.200112.7E154 G160E154-E158 PolarHBondContact O-N 3.35Å; E158-G160 PolarHBondContact O-N 3.42Å
159L82.4Confident69.8Low116 Ų11699.1 Ų99.161%0.60754%0.544SS*.THydrogen-bonded Turntrans-73.4-1.7174.2-69.9171.8000113.7T155 Y157 F161T155-L159 HydrophobicContact CG2-CD1 4.09Å; T155-L159 WeakPolarHBondContact O-CB 3.09Å; T155-L159 WeakPolarHBondContact O-CD1 3.38Å; T155-L159 WeakPolarHBondContact O-CG 3.04Å; T155-L159 PolarHBondContact O-N 3.03Å; T155-L159 VanDerWaalsContact O-N 3.09Å; Y157-L159 VanDerWaalsContact C-N 3.31Å; Y157-L159 PolarHBondContact O-N 3.39Å; L159-F161 HydrophobicContact CB-CD2 3.6Å; L159-F161 HydrophobicContact CB-CE2 3.75Å; L159-F161 HydrophobicContact CD1-CE2 4.29Å
160G73.3Confident69.4Low61 Ų61100.4 Ų100.463%0.62955%0.548SS*.THydrogen-bonded Turntrans77.913.3176.600000115.3L156 Y157 E158L156-G160 PolarHBondContact O-N 2.91Å; Y157-G160 WeakPolarHBondContact O-CA 3.29Å; Y157-G160 PolarHBondContact O-N 2.95Å; E158-G160 PolarHBondContact O-N 3.42Å
161F70.5Confident69Low162 Ų162104.5 Ų104.571%0.71156%0.559SS**SBendtrans-81.3-16.9172.1-63.7-75.5000112.8L156 L159L156-F161 HydrophobicContact CB-CB 4.23Å; L156-F161 HydrophobicContact CD2-CB 4.11Å; L156-F161 HydrophobicContact CD2-CD2 3.73Å; L156-F161 HydrophobicContact CD2-CE2 4.49Å; L156-F161 HydrophobicContact CD2-CG 4.13Å; L156-F161 WeakPolarHBondContact O-CA 3.11Å; L156-F161 WeakPolarHBondContact O-CB 3.38Å; L156-F161 PolarHBondContact O-N 3.05Å; L159-F161 HydrophobicContact CB-CD2 3.6Å; L159-F161 HydrophobicContact CB-CE2 3.75Å; L159-F161 HydrophobicContact CD1-CE2 4.29Å
162G63.9Low68.6Low33 Ų33104.7 Ų104.734%0.3456%0.559SS.*  trans-108.9150.6174.200000112.8L156L156-G162 PolarHBondContact O-N 3.03Å
163C59.8Low68.7Low113 Ų113104 Ų10476%0.76455%0.55SS*.  trans-133.2143.9161.252.40000107.9E165C163-E165 PolarHBondContact O-N 2.79Å; C163-E165 VanDerWaalsContact O-N 3.16Å
164E63.9Low68.4Low160 Ų160103.4 Ų103.475%0.74856%0.555SS**PPolyproline II helixtrans-57.2120.9-176.1-174.7178.6-152.600110P166E164-P166 VanDerWaalsContact O-CD 3.29Å; E164-P166 WeakPolarHBondContact O-CD 3.14Å; E164-P166 VanDerWaalsContact O-N 3.14Å
165E66.1Low68.3Low150 Ų150106.5 Ų106.570%0.70156%0.563SS**PPolyproline II helixtrans-63.7116.8-170.4-175.4168.2-173.200110.5C163 Q167C163-E165 PolarHBondContact O-N 2.79Å; C163-E165 VanDerWaalsContact O-N 3.16Å; E165-Q167 PolarHBondContact O-N 3.01Å
166P58.8Low67.9Low102 Ų102109 Ų10966%0.66257%0.57SS**PPolyproline II helixtrans-69.2123.5-177.126.8-33.2000109.9E164 V168E164-P166 VanDerWaalsContact O-CD 3.29Å; E164-P166 WeakPolarHBondContact O-CD 3.14Å; E164-P166 VanDerWaalsContact O-N 3.14Å; P166-V168 PolarHBondContact O-N 2.94Å
167Q56.8Low67.4Low83 Ų83111.3 Ų111.339%0.38858%0.576SS.*  trans-36.7129.4-172.9-64.7-178400114.1E165 T169 V170E165-Q167 PolarHBondContact O-N 3.01Å; Q167-T169 PolarHBondContact O-N 3.1Å; Q167-V170 WeakPolarHBondContact O-CG2 3.38Å; Q167-V170 PolarHBondContact O-N 2.81Å
168V57.8Low67Low73 Ų73110.1 Ų110.144%0.44258%0.581SS.*G310 helixtrans-50-27.8-175.1-175.40000113.7P166 V170 R171P166-V168 PolarHBondContact O-N 2.94Å; V168-V170 PolarHBondContact O-N 3.27Å; V168-R171 WeakPolarHBondContact O-CB 3.48Å; V168-R171 PolarHBondContact O-N 3.32Å
169T56.2Low66.8Low91 Ų91109.8 Ų109.856%0.55858%0.578SS**G310 helixtrans-60.8-23.8177.255.50000114.5Q167 R171Q167-T169 PolarHBondContact O-N 3.1Å; T169-R171 VanDerWaalsContact C-N 3.3Å
170V55.4Low66.2Low109 Ų109110.3 Ų110.366%0.66159%0.588SS**G310 helixtrans-81.1-11.8177.8-163.20000111.9Q167 V168Q167-V170 WeakPolarHBondContact O-CG2 3.38Å; Q167-V170 PolarHBondContact O-N 2.81Å; V168-V170 PolarHBondContact O-N 3.27Å
171R59.6Low66.1Low201 Ų201110.5 Ų110.576%0.75858%0.58SS**G310 helixtrans-90.5-7.2-168.6-158.6173.2178.7-179.70.2115.2V168 T169 P173V168-R171 WeakPolarHBondContact O-CB 3.48Å; V168-R171 PolarHBondContact O-N 3.32Å; T169-R171 VanDerWaalsContact C-N 3.3Å; R171-P173 VanDerWaalsContact O-CD 3.32Å; R171-P173 WeakPolarHBondContact O-CD 3.35Å
172I69.6Low66.2Low66 Ų66112.2 Ų112.234%0.33859%0.59SS.*SBendtrans-101.9109.4-179.6-53.1178000110.3F176 F177I172-F176 HydrophobicContact CG2-CB 4.09Å; I172-F176 HydrophobicContact CG2-CD2 4.2Å; I172-F177 HydrophobicContact CB-CE2 3.97Å; I172-F177 HydrophobicContact CB-CZ 4.26Å; I172-F177 HydrophobicContact CD1-CZ 4.15Å; I172-F177 HydrophobicContact CG2-CD2 4.32Å; I172-F177 HydrophobicContact CG2-CE2 3.47Å; I172-F177 VanDerWaalsContact CG2-CE2 3.47Å; I172-F177 HydrophobicContact CG2-CZ 3.74Å
173P75.9Confident66.5Low53 Ų53113 Ų11334%0.34459%0.593SS.*  trans-55.8133.9175.4-30.137000113R171 R175 F176R171-P173 VanDerWaalsContact O-CD 3.32Å; R171-P173 WeakPolarHBondContact O-CD 3.35Å; P173-R175 HydrophobicContact CB-CG 3.64Å; P173-R175 PolarHBondContact O-N 3.09Å; P173-F176 HydrophobicContact CB-CD2 3.97Å; P173-F176 HydrophobicContact CB-CE2 4.14Å; P173-F176 HydrophobicContact CG-CD2 4.18Å; P173-F176 HydrophobicContact CG-CE2 3.98Å; P173-F176 WeakPolarHBondContact O-CD2 3.37Å; P173-F176 PolarHBondContact O-N 2.84Å
174P69.1Low67Low97 Ų97117 Ų11763%0.6360%0.601SS**THydrogen-bonded Turntrans-53.1-28.1-177.7-30.936.2000115.4F176 F177 T178P174-F176 PolarHBondContact O-N 2.84Å; P174-F176 VanDerWaalsContact O-N 3.1Å; P174-F177 PolarHBondContact O-N 2.95Å; P174-T178 PolarHBondContact O-N 2.85Å; P174-T178 VanDerWaalsContact O-N 3.07Å; P174-T178 PolarHBondContact O-OG1 3Å
175R74.1Confident67.3Low161 Ų161113.3 Ų113.361%0.60861%0.606SS**Hα-helixtrans-52.2-26.117355.3-173.3-89.8-106.46.2114.9P173 F177 F179P173-R175 HydrophobicContact CB-CG 3.64Å; P173-R175 PolarHBondContact O-N 3.09Å; R175-F177 VanDerWaalsContact C-N 3.32Å; R175-F179 HydrophobicContact CB-CD2 4.35Å; R175-F179 PolarHBondContact O-N 3.39Å
176F69.8Low67.9Low103 Ų103111 Ų11145%0.45260%0.597SS.*Hα-helixtrans-78.6-13.7175.2-69.5-71.8000113.9I172 P173 P174I172-F176 HydrophobicContact CG2-CB 4.09Å; I172-F176 HydrophobicContact CG2-CD2 4.2Å; P173-F176 HydrophobicContact CB-CD2 3.97Å; P173-F176 HydrophobicContact CB-CE2 4.14Å; P173-F176 HydrophobicContact CG-CD2 4.18Å; P173-F176 HydrophobicContact CG-CE2 3.98Å; P173-F176 WeakPolarHBondContact O-CD2 3.37Å; P173-F176 PolarHBondContact O-N 2.84Å; P174-F176 PolarHBondContact O-N 2.84Å; P174-F176 VanDerWaalsContact O-N 3.1Å
177F70.4Confident69Low134 Ų134110.4 Ų110.459%0.58859%0.589SS**Hα-helixtrans-104.6-26.3175.1-59.8-69.2000112.7I172 P174 R175I172-F177 HydrophobicContact CB-CE2 3.97Å; I172-F177 HydrophobicContact CB-CZ 4.26Å; I172-F177 HydrophobicContact CD1-CZ 4.15Å; I172-F177 HydrophobicContact CG2-CD2 4.32Å; I172-F177 HydrophobicContact CG2-CE2 3.47Å; I172-F177 VanDerWaalsContact CG2-CE2 3.47Å; I172-F177 HydrophobicContact CG2-CZ 3.74Å; P174-F177 PolarHBondContact O-N 2.95Å; R175-F177 VanDerWaalsContact C-N 3.32Å
178T73.3Confident70.2Confident93 Ų93110.4 Ų110.457%0.57159%0.587SS**Hα-helixtrans-90.9-15.5-17659.50000114.7P174P174-T178 PolarHBondContact O-N 2.85Å; P174-T178 VanDerWaalsContact O-N 3.07Å; P174-T178 PolarHBondContact O-OG1 3Å
179F76.6Confident71.3Confident145 Ų145117.2 Ų117.264%0.63661%0.605SS**SBendtrans-129.9135.8-178.3-61-72.8000111R175 S181R175-F179 HydrophobicContact CB-CD2 4.35Å; R175-F179 PolarHBondContact O-N 3.39Å; F179-S181 PolarHBondContact O-N 2.88Å
180P70.4Confident72.8Confident126 Ų126118.2 Ų118.282%0.81861%0.607SS**  trans-64.3126173.127.6-33.2000109.6
181S70Confident74.2Confident65 Ų65117.6 Ų117.646%0.45560%0.595SS.*  trans-74.2138174.5-174.40000110.3F179 A183F179-S181 PolarHBondContact O-N 2.88Å; S181-A183 VanDerWaalsContact OG-CB 3.26Å; S181-A183 WeakPolarHBondContact OG-CB 3.42Å; S181-A183 PolarHBondContact OG-N 3.05Å; S181-A183 VanDerWaalsContact OG-N 3.14Å
182Q73.8Confident75.5Confident198 Ų198111.2 Ų111.293%0.92558%0.576SS**  trans-84.46.7168.6-64-1750.700112.7Q184Q182-Q184 PolarHBondContact O-N 3.12Å
183A68.8Low76.3Confident50 Ų50111.5 Ų111.541%0.41358%0.578SS.*  trans-67.9104.9178.700000111.2S181S181-A183 VanDerWaalsContact OG-CB 3.26Å; S181-A183 WeakPolarHBondContact OG-CB 3.42Å; S181-A183 PolarHBondContact OG-N 3.05Å; S181-A183 VanDerWaalsContact OG-N 3.14Å
184Q69.9Low76.7Confident196 Ų196110.5 Ų110.592%0.91657%0.574SS**THydrogen-bonded Turntrans-73.6145.8171.3-164.8168-1.300110Q182Q182-Q184 PolarHBondContact O-N 3.12Å
185G72Confident77.4Confident83 Ų83107.9 Ų107.986%0.85655%0.553SS**THydrogen-bonded Turntrans91.6-9.417600000116.9
186I77.2Confident77.8Confident101 Ų101104.1 Ų104.152%0.51854%0.544SS..  trans-113.2110.7174.8-57.4179000110.6F188I186-F188 WeakPolarHBondContact O-CD2 3.34Å; I186-F188 PolarHBondContact O-N 3.38Å; I186-F188 VanDerWaalsContact O-N 3.09Å
187N83.4Confident78.4Confident91 Ų91105.4 Ų105.449%0.48755%0.546SS..  trans-76.296.7170.3-173.6-39.4000109.9R189 L190 F191N187-R189 PolarHBondContact O-N 3.45Å; N187-R189 WeakPolarHBondContact OD1-CB 3.46Å; N187-R189 PolarHBondContact OD1-N 3.23Å; N187-R189 VanDerWaalsContact OD1-N 3.07Å; N187-L190 HydrophobicContact CB-CB 4.14Å; N187-L190 HydrophobicContact CB-CD1 3.98Å; N187-L190 HydrophobicContact CB-CG 4.15Å; N187-L190 PolarHBondContact O-N 2.95Å; N187-L190 VanDerWaalsContact O-N 3.13Å; N187-L190 PolarHBondContact OD1-N 3.41Å; N187-F191 PolarHBondContact O-N 3.18Å
188F80.3Confident79Confident82 Ų82105.3 Ų105.336%0.3654%0.542SS..Hα-helixtrans-56.3-31.2-179.9-74.3-82.8000113.8I186 L192I186-F188 WeakPolarHBondContact O-CD2 3.34Å; I186-F188 PolarHBondContact O-N 3.38Å; I186-F188 VanDerWaalsContact O-N 3.09Å; F188-L192 WeakPolarHBondContact O-CB 3.48Å; F188-L192 VanDerWaalsContact O-CG 3.23Å; F188-L192 WeakPolarHBondContact O-CG 3.47Å; F188-L192 PolarHBondContact O-N 3.24Å
189R82.7Confident79.4Confident217 Ų217103.5 Ų103.582%0.81953%0.528SS*.Hα-helixtrans-68.3-45.3177-178.2177.8175172.9-2.4111.3N187 D193N187-R189 PolarHBondContact O-N 3.45Å; N187-R189 WeakPolarHBondContact OD1-CB 3.46Å; N187-R189 PolarHBondContact OD1-N 3.23Å; N187-R189 VanDerWaalsContact OD1-N 3.07Å; R189-D193 WeakPolarHBondContact O-CB 3.41Å; R189-D193 PolarHBondContact O-N 2.91Å
190L86.1Confident79.6Confident112 Ų112103.8 Ų103.859%0.58653%0.525SS*.Hα-helixtrans-66.4-38.7174.9-67.7177.6000111.9N187 A194N187-L190 HydrophobicContact CB-CB 4.14Å; N187-L190 HydrophobicContact CB-CD1 3.98Å; N187-L190 HydrophobicContact CB-CG 4.15Å; N187-L190 PolarHBondContact O-N 2.95Å; N187-L190 VanDerWaalsContact O-N 3.13Å; N187-L190 PolarHBondContact OD1-N 3.41Å; L190-A194 WeakPolarHBondContact O-CB 3.29Å; L190-A194 PolarHBondContact O-N 3.32Å
191F86.3Confident80Confident96 Ų96104.7 Ų104.742%0.42152%0.519SS..Hα-helixtrans-62.1-49.2175.1173.4-99.1000112.1N187 A194 Q195N187-F191 PolarHBondContact O-N 3.18Å; F191-A194 WeakPolarHBondContact O-CB 3.09Å; F191-A194 PolarHBondContact O-N 2.91Å; F191-Q195 HydrophobicContact CD1-CG 4.33Å; F191-Q195 HydrophobicContact CE1-CG 3.84Å; F191-Q195 HydrophobicContact CE2-CG 4.18Å; F191-Q195 HydrophobicContact CZ-CG 3.75Å; F191-Q195 WeakPolarHBondContact O-CG 3.46Å; F191-Q195 PolarHBondContact O-N 3.37Å
192L86.9Confident80.2Confident67 Ų67107.3 Ų107.335%0.35152%0.523SS..Hα-helixtrans-64.6-40.2179.1-72.4171.5000111.8F188 A194 Q195 I196F188-L192 WeakPolarHBondContact O-CB 3.48Å; F188-L192 VanDerWaalsContact O-CG 3.23Å; F188-L192 WeakPolarHBondContact O-CG 3.47Å; F188-L192 PolarHBondContact O-N 3.24Å; L192-A194 VanDerWaalsContact C-N 3.35Å; L192-Q195 PolarHBondContact O-N 2.9Å; L192-I196 VanDerWaalsContact O-CG1 3.29Å; L192-I196 WeakPolarHBondContact O-CG1 3.48Å; L192-I196 PolarHBondContact O-N 3.14Å
193D84.7Confident80.1Confident72 Ų72101.2 Ų101.239%0.38550%0.497SS..Hα-helixtrans-61.1-42.8172.9-179.275.5000111.8R189 Q195 I196 R197R189-D193 WeakPolarHBondContact O-CB 3.41Å; R189-D193 PolarHBondContact O-N 2.91Å; D193-Q195 PolarHBondContact O-N 2.84Å; D193-I196 PolarHBondContact O-N 3.02Å; D193-R197 WeakPolarHBondContact O-CB 3.29Å; D193-R197 WeakPolarHBondContact O-CG 3.47Å; D193-R197 PolarHBondContact O-N 3.41Å; D193-R197 IonicContact OD2-CZ 3.57Å; D193-R197 IonicContact OD2-NE 2.76Å; D193-R197 PolarHBondContact OD2-NE 2.87Å; D193-R197 IonicContact OD2-NH2 2.65Å; D193-R197 PolarHBondContact OD2-NH2 3.06Å
194A85.6Confident80.4Confident32 Ų32102.9 Ų102.926%0.26450%0.504SS..Hα-helixtrans-61.8-39.6174.200000112.9L190 F191 L192 R197 R198L190-A194 WeakPolarHBondContact O-CB 3.29Å; L190-A194 PolarHBondContact O-N 3.32Å; F191-A194 WeakPolarHBondContact O-CB 3.09Å; F191-A194 PolarHBondContact O-N 2.91Å; L192-A194 VanDerWaalsContact C-N 3.35Å; A194-R197 PolarHBondContact O-N 3.41Å; A194-R198 WeakPolarHBondContact O-CB 3.38Å; A194-R198 PolarHBondContact O-N 3.32Å
195Q83.9Confident80.4Confident42 Ų4296.6 Ų96.620%0.19648%0.481CS..Hα-helixtrans-65.2-42.3173.4-62.5-44.5-64.800111.7F191 L192 D193 R198 I199F191-Q195 HydrophobicContact CD1-CG 4.33Å; F191-Q195 HydrophobicContact CE1-CG 3.84Å; F191-Q195 HydrophobicContact CE2-CG 4.18Å; F191-Q195 HydrophobicContact CZ-CG 3.75Å; F191-Q195 WeakPolarHBondContact O-CG 3.46Å; F191-Q195 PolarHBondContact O-N 3.37Å; L192-Q195 PolarHBondContact O-N 2.9Å; D193-Q195 PolarHBondContact O-N 2.84Å; Q195-R198 PolarHBondContact O-N 3.23Å; Q195-I199 WeakPolarHBondContact O-CD1 3.43Å; Q195-I199 VanDerWaalsContact O-CG1 3.28Å; Q195-I199 WeakPolarHBondContact O-CG1 3.22Å; Q195-I199 PolarHBondContact O-N 3.04Å
196I81.5Confident80.3Confident81 Ų8196.3 Ų96.342%0.41546%0.46SS..Hα-helixtrans-64.5-41.3177.9-69.8164.4000111L192 D193 R200L192-I196 VanDerWaalsContact O-CG1 3.29Å; L192-I196 WeakPolarHBondContact O-CG1 3.48Å; L192-I196 PolarHBondContact O-N 3.14Å; D193-I196 PolarHBondContact O-N 3.02Å; I196-R200 VanDerWaalsContact O-CG 3.29Å; I196-R200 WeakPolarHBondContact O-CG 3.18Å; I196-R200 PolarHBondContact O-N 3.16Å; I196-R200 VanDerWaalsContact O-N 3.11Å
197R83.1Confident80Confident130 Ų13094 Ų9449%0.49145%0.452SS..Hα-helixtrans-63.2-47.4175.3-76-173.9-71105.8-5.6111.7D193 A194 I199 R200 E201D193-R197 WeakPolarHBondContact O-CB 3.29Å; D193-R197 WeakPolarHBondContact O-CG 3.47Å; D193-R197 PolarHBondContact O-N 3.41Å; D193-R197 IonicContact OD2-CZ 3.57Å; D193-R197 IonicContact OD2-NE 2.76Å; D193-R197 PolarHBondContact OD2-NE 2.87Å; D193-R197 IonicContact OD2-NH2 2.65Å; D193-R197 PolarHBondContact OD2-NH2 3.06Å; A194-R197 PolarHBondContact O-N 3.41Å; R197-I199 PolarHBondContact O-N 3.47Å; R197-R200 WeakPolarHBondContact O-CB 3.39Å; R197-R200 PolarHBondContact O-N 3.26Å; R197-R200 VanDerWaalsContact O-N 3.16Å; R197-E201 PolarHBondContact O-N 2.84Å; R197-E201 VanDerWaalsContact O-N 3.11Å
198R83.3Confident79.6Confident132 Ų13291.7 Ų91.750%0.49844%0.44SS..Hα-helixtrans-53.8-52174.9179.3-176.1-66.5176.7-2.7111.6A194 Q195 R200 E201 E202A194-R198 WeakPolarHBondContact O-CB 3.38Å; A194-R198 PolarHBondContact O-N 3.32Å; Q195-R198 PolarHBondContact O-N 3.23Å; R198-R200 VanDerWaalsContact C-N 3.27Å; R198-R200 PolarHBondContact O-N 3.02Å; R198-E201 PolarHBondContact O-N 3.34Å; R198-E202 VanDerWaalsContact CD-OE1 3.27Å; R198-E202 WeakPolarHBondContact CD-OE1 3.45Å; R198-E202 HydrophobicContact CG-CG 4.06Å; R198-E202 WeakPolarHBondContact CG-OE1 3.4Å; R198-E202 VanDerWaalsContact CG-OE2 3.32Å; R198-E202 WeakPolarHBondContact CG-OE2 3.42Å; R198-E202 WeakPolarHBondContact O-CB 3.36Å; R198-E202 WeakPolarHBondContact O-CG 3.44Å; R198-E202 PolarHBondContact O-N 3Å
199I80.7Confident79.2Confident56 Ų5688.6 Ų88.629%0.28743%0.429SS..Hα-helixtrans-60.3-35.9-179.5-67.7163.6000111.9Q195 R197 E201 D203 L206Q195-I199 WeakPolarHBondContact O-CD1 3.43Å; Q195-I199 VanDerWaalsContact O-CG1 3.28Å; Q195-I199 WeakPolarHBondContact O-CG1 3.22Å; Q195-I199 PolarHBondContact O-N 3.04Å; R197-I199 PolarHBondContact O-N 3.47Å; I199-E201 VanDerWaalsContact C-N 3.34Å; I199-D203 CarbonylContact O-C 3.56Å; I199-D203 PolarHBondContact O-N 3.05Å; I199-L206 HydrophobicContact CG2-CD1 3.97Å
200R80.1Confident78.7Confident150 Ų15081.3 Ų81.357%0.56641%0.412SS*.Hα-helixtrans-69.5-29.8176.9-73.7170.4177.1-175.31.7113.5I196 R197 R198I196-R200 VanDerWaalsContact O-CG 3.29Å; I196-R200 WeakPolarHBondContact O-CG 3.18Å; I196-R200 PolarHBondContact O-N 3.16Å; I196-R200 VanDerWaalsContact O-N 3.11Å; R197-R200 WeakPolarHBondContact O-CB 3.39Å; R197-R200 PolarHBondContact O-N 3.26Å; R197-R200 VanDerWaalsContact O-N 3.16Å; R198-R200 VanDerWaalsContact C-N 3.27Å; R198-R200 PolarHBondContact O-N 3.02Å
201E80Confident78.1Confident146 Ų14683.3 Ų83.368%0.68241%0.412SS*.Hα-helixtrans-87.2-40.1-178.7-169.9172.5-17700111.8R197 R198 I199R197-E201 PolarHBondContact O-N 2.84Å; R197-E201 VanDerWaalsContact O-N 3.11Å; R198-E201 PolarHBondContact O-N 3.34Å; I199-E201 VanDerWaalsContact C-N 3.34Å
202E74.6Confident77.6Confident119 Ų11981.7 Ų81.756%0.55641%0.405SS*.Hα-helixtrans-70.9-42.8175.6-70.6173.4174.100112.1R198R198-E202 VanDerWaalsContact CD-OE1 3.27Å; R198-E202 WeakPolarHBondContact CD-OE1 3.45Å; R198-E202 HydrophobicContact CG-CG 4.06Å; R198-E202 WeakPolarHBondContact CG-OE1 3.4Å; R198-E202 VanDerWaalsContact CG-OE2 3.32Å; R198-E202 WeakPolarHBondContact CG-OE2 3.42Å; R198-E202 WeakPolarHBondContact O-CB 3.36Å; R198-E202 WeakPolarHBondContact O-CG 3.44Å; R198-E202 PolarHBondContact O-N 3Å
203D71.4Confident77.3Confident71 Ų7185.3 Ų85.338%0.3841%0.414SS..  trans-128.980.8-179.6-87.9-43.6000112.8I199 S205 L206I199-D203 CarbonylContact O-C 3.56Å; I199-D203 PolarHBondContact O-N 3.05Å; D203-S205 PolarHBondContact O-N 2.9Å; D203-S205 VanDerWaalsContact O-N 3.08Å; D203-L206 HydrophobicContact CB-CB 4.32Å; D203-L206 HydrophobicContact CB-CD1 3.7Å; D203-L206 HydrophobicContact CB-CG 3.84Å; D203-L206 PolarHBondContact O-N 2.85Å
204P74.2Confident77.2Confident85 Ų8587.9 Ų87.955%0.55242%0.423SS*.Hα-helixtrans-57.4-24.9173.6-25.635.1000113.7L206 S207 L208P204-L206 VanDerWaalsContact C-N 3.33Å; P204-L206 PolarHBondContact O-N 3.22Å; P204-S207 WeakPolarHBondContact O-CB 3.45Å; P204-S207 PolarHBondContact O-N 3.35Å; P204-L208 PolarHBondContact O-N 3.32Å
205S69.9Low77.2Confident63 Ų6389.6 Ų89.644%0.44143%0.43SS..Hα-helixtrans-62.6-34.4175.560.30000112.9D203 L208 A209D203-S205 PolarHBondContact O-N 2.9Å; D203-S205 VanDerWaalsContact O-N 3.08Å; S205-L208 PolarHBondContact O-N 3.44Å; S205-A209 WeakPolarHBondContact O-CB 3.48Å; S205-A209 PolarHBondContact O-N 2.82Å
206L70.6Confident77.2Confident78 Ų7890.2 Ų90.241%0.40843%0.433SS..Hα-helixtrans-72.6-35.5176.6-66176.9000111.5I199 D203 P204 A209 S210I199-L206 HydrophobicContact CG2-CD1 3.97Å; D203-L206 HydrophobicContact CB-CB 4.32Å; D203-L206 HydrophobicContact CB-CD1 3.7Å; D203-L206 HydrophobicContact CB-CG 3.84Å; D203-L206 PolarHBondContact O-N 2.85Å; P204-L206 VanDerWaalsContact C-N 3.33Å; P204-L206 PolarHBondContact O-N 3.22Å; L206-A209 PolarHBondContact O-N 3.26Å; L206-S210 PolarHBondContact O-N 2.67Å
207S71.7Confident77.6Confident51 Ų5190 Ų9036%0.35744%0.435SS..Hα-helixtrans-63.1-43170.7-170.80000111.2P204 S210 R211P204-S207 WeakPolarHBondContact O-CB 3.45Å; P204-S207 PolarHBondContact O-N 3.35Å; S207-S210 WeakPolarHBondContact O-CB 3.35Å; S207-S210 PolarHBondContact O-N 3.33Å; S207-R211 PolarHBondContact O-N 3.18Å
208L73.8Confident78Confident44 Ų4489 Ų8923%0.2344%0.439CS..Hα-helixtrans-64.2-44.5175.3-171.669.1000112.2M1 P204 S205 S210 R211 F212M1-L208 HydrophobicContact CE-CD2 3.95Å; M1-L208 HydrophobicContact SD-CD2 4.19Å; P204-L208 PolarHBondContact O-N 3.32Å; S205-L208 PolarHBondContact O-N 3.44Å; L208-S210 VanDerWaalsContact C-N 3.27Å; L208-S210 PolarHBondContact O-N 3.24Å; L208-R211 PolarHBondContact O-N 3.47Å; L208-F212 HydrophobicContact CD1-CE2 4.06Å; L208-F212 HydrophobicContact CD1-CZ 4.49Å; L208-F212 HydrophobicContact CD2-CE2 3.83Å; L208-F212 HydrophobicContact CG-CD2 4.01Å; L208-F212 HydrophobicContact CG-CE2 3.56Å; L208-F212 HydrophobicContact CG-CZ 4.42Å; L208-F212 WeakPolarHBondContact O-CD2 3.22Å; L208-F212 PolarHBondContact O-N 3.23Å
209A71.6Confident78.2Confident16 Ų1683.6 Ų83.613%0.13242%0.421CS..Hα-helixtrans-60.7-34.7175.300000112.3S205 L206 F212 R213 F247S205-A209 WeakPolarHBondContact O-CB 3.48Å; S205-A209 PolarHBondContact O-N 2.82Å; L206-A209 PolarHBondContact O-N 3.26Å; A209-F212 PolarHBondContact O-N 3.01Å; A209-R213 WeakPolarHBondContact O-CB 3.44Å; A209-R213 PolarHBondContact O-N 3.49Å; A209-F247 HydrophobicContact CB-CD1 4.08Å; A209-F247 HydrophobicContact CB-CD2 4.09Å; A209-F247 HydrophobicContact CB-CE1 4.27Å; A209-F247 HydrophobicContact CB-CE2 4.28Å; A209-F247 HydrophobicContact CB-CG 3.99Å; A209-F247 HydrophobicContact CB-CZ 4.37Å
210S72.5Confident78.6Confident64 Ų6483.7 Ų83.745%0.44843%0.43SS..Hα-helixtrans-61.4-41.3172.1-169.90000112.3L206 S207 L208 R213 Q214L206-S210 PolarHBondContact O-N 2.67Å; S207-S210 WeakPolarHBondContact O-CB 3.35Å; S207-S210 PolarHBondContact O-N 3.33Å; L208-S210 VanDerWaalsContact C-N 3.27Å; L208-S210 PolarHBondContact O-N 3.24Å; S210-R213 PolarHBondContact O-N 3.03Å; S210-Q214 WeakPolarHBondContact O-CG 3.4Å; S210-Q214 PolarHBondContact O-N 3.1Å
211R73.8Confident79.3Confident155 Ų15581 Ų8159%0.58543%0.425SS*.Hα-helixtrans-67-40.7174-63.7-160.7-62-171.20.6112.2S207 L208 R213 Q214 V215S207-R211 PolarHBondContact O-N 3.18Å; L208-R211 PolarHBondContact O-N 3.47Å; R211-R213 VanDerWaalsContact C-N 3.29Å; R211-R213 PolarHBondContact O-N 3.09Å; R211-Q214 WeakPolarHBondContact O-CB 3.32Å; R211-Q214 PolarHBondContact O-N 3.5Å; R211-Q214 VanDerWaalsContact O-N 3.14Å; R211-V215 PolarHBondContact O-N 3.4Å
212F76.2Confident79.7Confident62 Ų6275.7 Ų75.727%0.27241%0.406SS..Hα-helixtrans-63.3-35.7173.6-72.2-55.8000112.6L208 A209 Q214 V215 Q216 F245 F247L208-F212 HydrophobicContact CD1-CE2 4.06Å; L208-F212 HydrophobicContact CD1-CZ 4.49Å; L208-F212 HydrophobicContact CD2-CE2 3.83Å; L208-F212 HydrophobicContact CG-CD2 4.01Å; L208-F212 HydrophobicContact CG-CE2 3.56Å; L208-F212 HydrophobicContact CG-CZ 4.42Å; L208-F212 WeakPolarHBondContact O-CD2 3.22Å; L208-F212 PolarHBondContact O-N 3.23Å; A209-F212 PolarHBondContact O-N 3.01Å; F212-Q214 VanDerWaalsContact C-N 3.35Å; F212-V215 WeakPolarHBondContact O-CB 3.42Å; F212-V215 PolarHBondContact O-N 3.07Å; F212-Q216 WeakPolarHBondContact O-CG 3.37Å; F212-Q216 PolarHBondContact O-N 3.1Å; F212-F245 HydrophobicContact CB-CD2 4.06Å; F212-F245 HydrophobicContact CB-CE2 4.41Å; F212-F245 AromaticContact CD1-CD2 3.9Å; F212-F245 HydrophobicContact CD1-CD2 3.9Å; F212-F245 HydrophobicContact CD1-CE1 4.46Å; F212-F245 AromaticContact CD1-CE2 3.4Å; F212-F245 HydrophobicContact CD1-CE2 3.4Å; F212-F245 AromaticContact CD1-CZ 3.73Å; F212-F245 HydrophobicContact CD1-CZ 3.73Å; F212-F245 HydrophobicContact CE1-CE1 4.25Å; F212-F245 AromaticContact CE1-CE2 3.78Å; F212-F245 HydrophobicContact CE1-CE2 3.78Å; F212-F245 AromaticContact CE1-CZ 3.59Å; F212-F245 HydrophobicContact CE1-CZ 3.59Å; F212-F245 HydrophobicContact CG-CD2 4.04Å; F212-F245 HydrophobicContact CG-CE2 4.01Å; F212-F245 HydrophobicContact CG-CG 4.46Å; F212-F245 HydrophobicContact CG-CZ 4.42Å; F212-F245 HydrophobicContact CZ-CE1 4.38Å; F212-F245 HydrophobicContact CZ-CZ 4.15Å; F212-F247 HydrophobicContact CD2-CE2 4.1Å
213R79.8Confident80.5Confident143 Ų14371 Ų7154%0.5438%0.384SS..Hα-helixtrans-64.9-36.7172.2-168.4177.1-177.4-170.10.1112.3A209 S210 R211 Q216 V217A209-R213 WeakPolarHBondContact O-CB 3.44Å; A209-R213 PolarHBondContact O-N 3.49Å; S210-R213 PolarHBondContact O-N 3.03Å; R211-R213 VanDerWaalsContact C-N 3.29Å; R211-R213 PolarHBondContact O-N 3.09Å; R213-Q216 PolarHBondContact O-N 2.96Å; R213-V217 WeakPolarHBondContact O-CB 3.38Å; R213-V217 VanDerWaalsContact O-CG2 3.29Å; R213-V217 WeakPolarHBondContact O-CG2 3.33Å; R213-V217 PolarHBondContact O-N 2.89Å
214Q82.9Confident81.4Confident126 Ų12670.1 Ų70.159%0.58939%0.387SS*.Hα-helixtrans-62.2-42.7172-68.9166.6-8.100111.4S210 R211 F212 V217 L218S210-Q214 WeakPolarHBondContact O-CG 3.4Å; S210-Q214 PolarHBondContact O-N 3.1Å; R211-Q214 WeakPolarHBondContact O-CB 3.32Å; R211-Q214 PolarHBondContact O-N 3.5Å; R211-Q214 VanDerWaalsContact O-N 3.14Å; F212-Q214 VanDerWaalsContact C-N 3.35Å; Q214-V217 PolarHBondContact O-N 3.07Å; Q214-L218 WeakPolarHBondContact O-CB 3.36Å; Q214-L218 PolarHBondContact O-N 3.36Å
215V85.8Confident82.1Confident67 Ų6772.8 Ų72.841%0.40639%0.391SS..Hα-helixtrans-60.9-47.8173.81770000110.9R211 F212 V217 L218 T219 P243R211-V215 PolarHBondContact O-N 3.4Å; F212-V215 WeakPolarHBondContact O-CB 3.42Å; F212-V215 PolarHBondContact O-N 3.07Å; V215-V217 PolarHBondContact O-N 3.28Å; V215-L218 PolarHBondContact O-N 3.31Å; V215-T219 PolarHBondContact O-N 2.97Å; V215-T219 PolarHBondContact O-OG1 2.85Å; V215-T219 VanDerWaalsContact O-OG1 3.05Å; V215-P243 HydrophobicContact CG1-CG 4.31Å
216Q84.4Confident82.9Confident56 Ų5673.2 Ų73.226%0.26238%0.383SS..Hα-helixtrans-59.3-42.5177.1-72.9171.9-2300112.8F212 R213 T219 A220 P243F212-Q216 WeakPolarHBondContact O-CG 3.37Å; F212-Q216 PolarHBondContact O-N 3.1Å; R213-Q216 PolarHBondContact O-N 2.96Å; Q216-T219 PolarHBondContact O-N 2.88Å; Q216-A220 WeakPolarHBondContact O-CB 3.1Å; Q216-A220 PolarHBondContact O-N 3.38Å; Q216-P243 PolarHBondContact NE2-O 3.07Å
217V89.1Confident83.7Confident76 Ų7671.6 Ų71.646%0.46138%0.378SS..Hα-helixtrans-65.2-40.4175.9169.80000111.1R213 Q214 V215 A220 M221R213-V217 WeakPolarHBondContact O-CB 3.38Å; R213-V217 VanDerWaalsContact O-CG2 3.29Å; R213-V217 WeakPolarHBondContact O-CG2 3.33Å; R213-V217 PolarHBondContact O-N 2.89Å; Q214-V217 PolarHBondContact O-N 3.07Å; V215-V217 PolarHBondContact O-N 3.28Å; V217-A220 PolarHBondContact O-N 3.01Å; V217-M221 HydrophobicContact CG1-CE 4.15Å; V217-M221 WeakPolarHBondContact O-CG 3.21Å; V217-M221 PolarHBondContact O-N 3.01Å
218L91.2Very high84.5Confident109 Ų10974.5 Ų74.557%0.57139%0.389SS*.Hα-helixtrans-64.4-44.8174.9-176.562.4000111.8Q214 V215 A220 M221 A222Q214-L218 WeakPolarHBondContact O-CB 3.36Å; Q214-L218 PolarHBondContact O-N 3.36Å; V215-L218 PolarHBondContact O-N 3.31Å; L218-A220 VanDerWaalsContact C-N 3.32Å; L218-A220 PolarHBondContact O-N 3.3Å; L218-M221 HydrophobicContact CD1-CE 4.16Å; L218-M221 PolarHBondContact O-N 3.11Å; L218-A222 WeakPolarHBondContact O-CB 3.46Å; L218-A222 PolarHBondContact O-N 3.16Å
219T89.1Confident85Confident18 Ų1879.6 Ų79.611%0.1141%0.406CS..Hα-helixtrans-60.9-40.1174.1-56.60000111.5V215 Q216 A222 N223 L240V215-T219 PolarHBondContact O-N 2.97Å; V215-T219 PolarHBondContact O-OG1 2.85Å; V215-T219 VanDerWaalsContact O-OG1 3.05Å; Q216-T219 PolarHBondContact O-N 2.88Å; T219-A222 PolarHBondContact O-N 3.2Å; T219-N223 VanDerWaalsContact O-CB 3.29Å; T219-N223 WeakPolarHBondContact O-CB 3.39Å; T219-N223 PolarHBondContact O-N 2.99Å; T219-N223 PolarHBondContact O-ND2 3.45Å; T219-L240 HydrophobicContact CG2-CB 3.99Å
220A89.1Confident85.8Confident58 Ų5880.3 Ų80.348%0.47941%0.41SS..Hα-helixtrans-65-44.517600000112.3Q216 V217 L218 N223 A224Q216-A220 WeakPolarHBondContact O-CB 3.1Å; Q216-A220 PolarHBondContact O-N 3.38Å; V217-A220 PolarHBondContact O-N 3.01Å; L218-A220 VanDerWaalsContact C-N 3.32Å; L218-A220 PolarHBondContact O-N 3.3Å; A220-N223 PolarHBondContact O-N 3.47Å; A220-A224 PolarHBondContact O-N 3.03Å
221M93.6Very high86.4Confident95 Ų9584.8 Ų84.847%0.46842%0.424SS..Hα-helixtrans-62.9-46.8174.5-72.3-172.1-60.300111.7V217 L218 N223 A224 F225V217-M221 HydrophobicContact CG1-CE 4.15Å; V217-M221 WeakPolarHBondContact O-CG 3.21Å; V217-M221 PolarHBondContact O-N 3.01Å; L218-M221 HydrophobicContact CD1-CE 4.16Å; L218-M221 PolarHBondContact O-N 3.11Å; M221-N223 VanDerWaalsContact C-N 3.31Å; M221-N223 PolarHBondContact O-N 3.26Å; M221-A224 WeakPolarHBondContact O-CA 3.25Å; M221-A224 WeakPolarHBondContact O-CB 3.3Å; M221-A224 PolarHBondContact O-N 3.28Å; M221-F225 HydrophobicContact CB-CE2 4.29Å; M221-F225 WeakPolarHBondContact O-CD2 3.29Å; M221-F225 PolarHBondContact O-N 3.19Å
222A89.2Confident87.2Confident34 Ų3483.3 Ų83.328%0.28143%0.432SS..Hα-helixtrans-56.8-45.8175.500000111.1L218 T219 A224 F225 Y226 L240L218-A222 WeakPolarHBondContact O-CB 3.46Å; L218-A222 PolarHBondContact O-N 3.16Å; T219-A222 PolarHBondContact O-N 3.2Å; A222-A224 VanDerWaalsContact C-N 3.29Å; A222-A224 PolarHBondContact O-N 3.38Å; A222-F225 PolarHBondContact O-N 2.91Å; A222-Y226 WeakPolarHBondContact O-CB 3.47Å; A222-Y226 PolarHBondContact O-N 3.01Å; A222-L240 HydrophobicContact CB-CD1 3.82Å
223N90.4Very high87.6Confident19 Ų1982.4 Ų82.410%0.10243%0.433CS..Hα-helixtrans-64.4-28.4175.4-80-27.2000113.8T219 A220 M221 S227 K239 L240T219-N223 VanDerWaalsContact O-CB 3.29Å; T219-N223 WeakPolarHBondContact O-CB 3.39Å; T219-N223 PolarHBondContact O-N 2.99Å; T219-N223 PolarHBondContact O-ND2 3.45Å; A220-N223 PolarHBondContact O-N 3.47Å; M221-N223 VanDerWaalsContact C-N 3.31Å; M221-N223 PolarHBondContact O-N 3.26Å; N223-S227 WeakPolarHBondContact O-CB 3.28Å; N223-S227 PolarHBondContact O-N 3.43Å; N223-S227 PolarHBondContact O-OG 3.33Å; N223-K239 WeakPolarHBondContact OD1-CB 3.5Å; N223-L240 PolarHBondContact ND2-O 3.38Å; N223-L240 PolarHBondContact OD1-N 3.29Å
224A90.1Very high87.8Confident53 Ų5386.4 Ų86.444%0.43845%0.448SS..Hα-helixtrans-71-50.3172.100000111.3A220 M221 A222 Y226 S227 L228A220-A224 PolarHBondContact O-N 3.03Å; M221-A224 WeakPolarHBondContact O-CA 3.25Å; M221-A224 WeakPolarHBondContact O-CB 3.3Å; M221-A224 PolarHBondContact O-N 3.28Å; A222-A224 VanDerWaalsContact C-N 3.29Å; A222-A224 PolarHBondContact O-N 3.38Å; A224-Y226 VanDerWaalsContact C-N 3.25Å; A224-Y226 PolarHBondContact O-N 3.11Å; A224-S227 WeakPolarHBondContact O-CB 3.29Å; A224-S227 PolarHBondContact O-N 2.88Å; A224-S227 VanDerWaalsContact O-N 3.1Å; A224-L228 WeakPolarHBondContact O-CG 3.41Å; A224-L228 PolarHBondContact O-N 2.81Å
225F89.1Confident87.4Confident142 Ų14283.6 Ų83.662%0.62344%0.44SS*.Hα-helixtrans-57.2-40.3174.3-70.5-61.5000112.4M221 A222 L228 Y229M221-F225 HydrophobicContact CB-CE2 4.29Å; M221-F225 WeakPolarHBondContact O-CD2 3.29Å; M221-F225 PolarHBondContact O-N 3.19Å; A222-F225 PolarHBondContact O-N 2.91Å; F225-L228 WeakPolarHBondContact O-CB 3.45Å; F225-L228 PolarHBondContact O-N 3.21Å; F225-Y229 PolarHBondContact O-N 3.22Å
226Y86.9Confident86.5Confident72 Ų7286.3 Ų86.328%0.28246%0.459SS..Hα-helixtrans-69.4-33.2178.5-163.7-106.3000112.6A222 A224 S230 L237 Q238 K239A222-Y226 WeakPolarHBondContact O-CB 3.47Å; A222-Y226 PolarHBondContact O-N 3.01Å; A224-Y226 VanDerWaalsContact C-N 3.25Å; A224-Y226 PolarHBondContact O-N 3.11Å; Y226-S230 VanDerWaalsContact O-CB 3.28Å; Y226-S230 WeakPolarHBondContact O-CB 3.42Å; Y226-S230 PolarHBondContact O-N 3.1Å; Y226-L237 HydrophobicContact CD1-CB 4.02Å; Y226-L237 HydrophobicContact CD2-CD1 4.18Å; Y226-L237 HydrophobicContact CE1-CB 3.41Å; Y226-L237 VanDerWaalsContact CE1-CB 3.41Å; Y226-L237 HydrophobicContact CE1-CG 4.5Å; Y226-L237 WeakPolarHBondContact CE1-O 3.48Å; Y226-L237 HydrophobicContact CE2-CB 4.03Å; Y226-L237 HydrophobicContact CE2-CD1 3.9Å; Y226-L237 HydrophobicContact CE2-CD2 4.25Å; Y226-L237 HydrophobicContact CE2-CG 4.3Å; Y226-L237 VanDerWaalsContact CZ-CB 3.42Å; Y226-Q238 VanDerWaalsContact CE1-N 3.31Å; Y226-Q238 WeakPolarHBondContact CE1-O 3.44Å; Y226-Q238 VanDerWaalsContact CZ-O 3.29Å; Y226-Q238 PolarHBondContact OH-N 2.85Å; Y226-Q238 PolarHBondContact OH-O 3.27Å; Y226-K239 HydrophobicContact CD1-CG 4.03Å; Y226-K239 HydrophobicContact CE1-CG 4.41Å
227S87.8Confident85.9Confident44 Ų4486.6 Ų86.631%0.30846%0.462SS..Hα-helixtrans-66.6-41.7169.3-55.60000111.8N223 A224 H231 K239N223-S227 WeakPolarHBondContact O-CB 3.28Å; N223-S227 PolarHBondContact O-N 3.43Å; N223-S227 PolarHBondContact O-OG 3.33Å; A224-S227 WeakPolarHBondContact O-CB 3.29Å; A224-S227 PolarHBondContact O-N 2.88Å; A224-S227 VanDerWaalsContact O-N 3.1Å; S227-H231 PolarHBondContact O-N 2.99Å; S227-H231 VanDerWaalsContact O-N 3.1Å; S227-K239 WeakPolarHBondContact OG-CE 3.48Å; S227-K239 PolarHBondContact OG-NZ 2.92Å
228L88.1Confident85.1Confident112 Ų11291.3 Ų91.359%0.58648%0.479SS*.Hα-helixtrans-64.3-47.6176.3-69.6170.2000111.3A224 F225 S230 H231 V232A224-L228 WeakPolarHBondContact O-CG 3.41Å; A224-L228 PolarHBondContact O-N 2.81Å; F225-L228 WeakPolarHBondContact O-CB 3.45Å; F225-L228 PolarHBondContact O-N 3.21Å; L228-S230 PolarHBondContact O-N 3.42Å; L228-H231 WeakPolarHBondContact O-CB 3.45Å; L228-H231 PolarHBondContact O-N 2.9Å; L228-V232 WeakPolarHBondContact O-CG2 3.23Å; L228-V232 PolarHBondContact O-N 2.91Å; L228-V232 VanDerWaalsContact O-N 3.1Å
229Y85.6Confident84.3Confident151 Ų15192.1 Ų92.159%0.59248%0.478SS*.Hα-helixtrans-60-48.8177.5-172.6-81.1000110.8F225 H231 V232 S233 L237F225-Y229 PolarHBondContact O-N 3.22Å; Y229-H231 PolarHBondContact O-N 3.18Å; Y229-V232 PolarHBondContact O-N 3.4Å; Y229-S233 WeakPolarHBondContact O-CB 3.35Å; Y229-S233 PolarHBondContact O-N 3.32Å; Y229-S233 PolarHBondContact O-OG 3Å; Y229-L237 HydrophobicContact CD1-CD1 3.46Å; Y229-L237 VanDerWaalsContact CD1-CD1 3.46Å; Y229-L237 HydrophobicContact CE1-CD1 4Å; Y229-L237 HydrophobicContact CG-CD1 4.44Å
230S86.4Confident83.6Confident31 Ų3196.1 Ų96.122%0.21750%0.498CS..Hα-helixtrans-57.1-35177.6-170.90000113.2Y226 L228 R234 T235Y226-S230 VanDerWaalsContact O-CB 3.28Å; Y226-S230 WeakPolarHBondContact O-CB 3.42Å; Y226-S230 PolarHBondContact O-N 3.1Å; L228-S230 PolarHBondContact O-N 3.42Å; S230-R234 WeakPolarHBondContact O-CA 3.26Å; S230-R234 PolarHBondContact O-N 3.31Å; S230-R234 VanDerWaalsContact O-N 3.11Å; S230-T235 WeakPolarHBondContact CA-O 3.14Å; S230-T235 WeakPolarHBondContact CB-O 3.47Å; S230-T235 PolarHBondContact OG-O 3.27Å
231H85.9Confident82.7Confident157 Ų15797.6 Ų97.673%0.72751%0.51SS*.Hα-helixtrans-68.5-41.2175.4-173.473000112.6S227 L228 Y229S227-H231 PolarHBondContact O-N 2.99Å; S227-H231 VanDerWaalsContact O-N 3.1Å; L228-H231 WeakPolarHBondContact O-CB 3.45Å; L228-H231 PolarHBondContact O-N 2.9Å; Y229-H231 PolarHBondContact O-N 3.18Å
232V90.2Very high81.1Confident124 Ų12496.6 Ų96.675%0.75251%0.509SS*.Hα-helixtrans-77.6-44.8-179.1176.70000112L228 Y229 R234L228-V232 WeakPolarHBondContact O-CG2 3.23Å; L228-V232 PolarHBondContact O-N 2.91Å; L228-V232 VanDerWaalsContact O-N 3.1Å; Y229-V232 PolarHBondContact O-N 3.4Å; V232-R234 VanDerWaalsContact C-N 3.28Å; V232-R234 PolarHBondContact O-N 3.11Å
233S84.8Confident79.5Confident44 Ų4496.8 Ų96.831%0.30851%0.508SS..Hα-helixtrans-74-18.6-179.968.50000113.4Y229 T235Y229-S233 WeakPolarHBondContact O-CB 3.35Å; Y229-S233 PolarHBondContact O-N 3.32Å; Y229-S233 PolarHBondContact O-OG 3Å; S233-T235 WeakPolarHBondContact CB-OG1 3.42Å; S233-T235 PolarHBondContact O-N 3.41Å; S233-T235 VanDerWaalsContact O-N 3.11Å; S233-T235 PolarHBondContact OG-N 3.43Å; S233-T235 VanDerWaalsContact OG-N 3.08Å; S233-T235 PolarHBondContact OG-OG1 3.08Å
234R84.9Confident77.5Confident227 Ų227103.9 Ų103.986%0.85754%0.54SS*.  trans5516.5-166.8-59-176.2177.1155.40.6114.2S230 V232S230-R234 WeakPolarHBondContact O-CA 3.26Å; S230-R234 PolarHBondContact O-N 3.31Å; S230-R234 VanDerWaalsContact O-N 3.11Å; V232-R234 VanDerWaalsContact C-N 3.28Å; V232-R234 PolarHBondContact O-N 3.11Å
235T74.4Confident75.7Confident67 Ų67105.4 Ų105.441%0.41154%0.537SS..  trans-93123.5173550000109.4S230 S233 L237S230-T235 WeakPolarHBondContact CA-O 3.14Å; S230-T235 WeakPolarHBondContact CB-O 3.47Å; S230-T235 PolarHBondContact OG-O 3.27Å; S233-T235 WeakPolarHBondContact CB-OG1 3.42Å; S233-T235 PolarHBondContact O-N 3.41Å; S233-T235 VanDerWaalsContact O-N 3.11Å; S233-T235 PolarHBondContact OG-N 3.43Å; S233-T235 VanDerWaalsContact OG-N 3.08Å; S233-T235 PolarHBondContact OG-OG1 3.08Å; T235-L237 PolarHBondContact O-N 2.99Å
236P66.4Low73.3Confident123 Ų123104.6 Ų104.680%0.79955%0.549SS*.  trans-68130.3174.429-33.1000108.5
237L71.8Confident71.3Confident63 Ų63106.5 Ų106.533%0.3356%0.559SS.*  trans-128137.3-170-87.8-173.7000108.4Y226 Y229 T235Y226-L237 HydrophobicContact CD1-CB 4.02Å; Y226-L237 HydrophobicContact CD2-CD1 4.18Å; Y226-L237 HydrophobicContact CE1-CB 3.41Å; Y226-L237 VanDerWaalsContact CE1-CB 3.41Å; Y226-L237 HydrophobicContact CE1-CG 4.5Å; Y226-L237 WeakPolarHBondContact CE1-O 3.48Å; Y226-L237 HydrophobicContact CE2-CB 4.03Å; Y226-L237 HydrophobicContact CE2-CD1 3.9Å; Y226-L237 HydrophobicContact CE2-CD2 4.25Å; Y226-L237 HydrophobicContact CE2-CG 4.3Å; Y226-L237 VanDerWaalsContact CZ-CB 3.42Å; Y229-L237 HydrophobicContact CD1-CD1 3.46Å; Y229-L237 VanDerWaalsContact CD1-CD1 3.46Å; Y229-L237 HydrophobicContact CE1-CD1 4Å; Y229-L237 HydrophobicContact CG-CD1 4.44Å; T235-L237 PolarHBondContact O-N 2.99Å
238Q73.1Confident68.8Low174 Ų174107.7 Ų107.781%0.81357%0.567SS**  trans-88.1106.5-171.7-165175.464.100112.9Y226Y226-Q238 VanDerWaalsContact CE1-N 3.31Å; Y226-Q238 WeakPolarHBondContact CE1-O 3.44Å; Y226-Q238 VanDerWaalsContact CZ-O 3.29Å; Y226-Q238 PolarHBondContact OH-N 2.85Å; Y226-Q238 PolarHBondContact OH-O 3.27Å
239K74.3Confident66.4Low127 Ų127103.6 Ų103.655%0.55255%0.548SS*.PPolyproline II helixtrans-60.5146.3-171.7-74.7-178.3177.7-171.50112.7N223 Y226 S227 A241N223-K239 WeakPolarHBondContact OD1-CB 3.5Å; Y226-K239 HydrophobicContact CD1-CG 4.03Å; Y226-K239 HydrophobicContact CE1-CG 4.41Å; S227-K239 WeakPolarHBondContact OG-CE 3.48Å; S227-K239 PolarHBondContact OG-NZ 2.92Å; K239-A241 PolarHBondContact O-N 2.98Å
240L74.4Confident64.3Low101 Ų10198.6 Ų98.653%0.52953%0.534SS..PPolyproline II helixtrans-62.9129.2173-61.2176.1000109.4T219 A222 N223 T242T219-L240 HydrophobicContact CG2-CB 3.99Å; A222-L240 HydrophobicContact CB-CD1 3.82Å; N223-L240 PolarHBondContact ND2-O 3.38Å; N223-L240 PolarHBondContact OD1-N 3.29Å; L240-T242 PolarHBondContact O-N 3.01Å
241A69.4Low62.2Low90 Ų90101.1 Ų101.174%0.74455%0.548SS*.PPolyproline II helixtrans-63.4129.2176.600000110.3K239 P243K239-A241 PolarHBondContact O-N 2.98Å; A241-P243 WeakPolarHBondContact O-CD 3.27Å
242T59.3Low60.1Low73 Ų7398.9 Ų98.945%0.44854%0.538SS..PPolyproline II helixtrans-71.2129.4175.2-53.40000109.3L240 E244L240-T242 PolarHBondContact O-N 3.01Å; T242-E244 PolarHBondContact O-N 2.8Å
243P57.3Low57.8Low38 Ų3897.3 Ų97.325%0.24752%0.519CS..  trans-67.4107.2173.6-2234.8000111.2V215 Q216 A241 F245V215-P243 HydrophobicContact CG1-CG 4.31Å; Q216-P243 PolarHBondContact NE2-O 3.07Å; A241-P243 WeakPolarHBondContact O-CD 3.27Å; P243-F245 VanDerWaalsContact C-N 3.34Å; P243-F245 HydrophobicContact CB-CD2 3.66Å; P243-F245 HydrophobicContact CB-CE2 3.38Å; P243-F245 HydrophobicContact CB-CZ 4.3Å; P243-F245 HydrophobicContact CG-CE2 4.47Å; P243-F245 PolarHBondContact O-N 3.08Å
244E48.3Very low56Low168 Ų168100.9 Ų100.979%0.78553%0.533SS*.  trans-70.284.4175.8-67.9-62.4156.100110.6T242T242-E244 PolarHBondContact O-N 2.8Å
245F51Low53.8Low85 Ų8597.2 Ų97.237%0.37353%0.526SS..  trans-105107.7171.1-67.2-67.1000109.9F212 P243 F247F212-F245 HydrophobicContact CB-CD2 4.06Å; F212-F245 HydrophobicContact CB-CE2 4.41Å; F212-F245 AromaticContact CD1-CD2 3.9Å; F212-F245 HydrophobicContact CD1-CD2 3.9Å; F212-F245 HydrophobicContact CD1-CE1 4.46Å; F212-F245 AromaticContact CD1-CE2 3.4Å; F212-F245 HydrophobicContact CD1-CE2 3.4Å; F212-F245 AromaticContact CD1-CZ 3.73Å; F212-F245 HydrophobicContact CD1-CZ 3.73Å; F212-F245 HydrophobicContact CE1-CE1 4.25Å; F212-F245 AromaticContact CE1-CE2 3.78Å; F212-F245 HydrophobicContact CE1-CE2 3.78Å; F212-F245 AromaticContact CE1-CZ 3.59Å; F212-F245 HydrophobicContact CE1-CZ 3.59Å; F212-F245 HydrophobicContact CG-CD2 4.04Å; F212-F245 HydrophobicContact CG-CE2 4.01Å; F212-F245 HydrophobicContact CG-CG 4.46Å; F212-F245 HydrophobicContact CG-CZ 4.42Å; F212-F245 HydrophobicContact CZ-CE1 4.38Å; F212-F245 HydrophobicContact CZ-CZ 4.15Å; P243-F245 VanDerWaalsContact C-N 3.34Å; P243-F245 HydrophobicContact CB-CD2 3.66Å; P243-F245 HydrophobicContact CB-CE2 3.38Å; P243-F245 HydrophobicContact CB-CZ 4.3Å; P243-F245 HydrophobicContact CG-CE2 4.47Å; P243-F245 PolarHBondContact O-N 3.08Å; F245-F247 HydrophobicContact CB-CD2 3.78Å; F245-F247 HydrophobicContact CB-CE2 3.89Å; F245-F247 HydrophobicContact CG-CE2 4.43Å; F245-F247 PolarHBondContact O-N 3.39Å
246S39.4Very low52Low126 Ų126100 Ų10088%0.88153%0.529SS*.  trans-71.258.5-178.1-54.90000114.1
247F43.9Very low50.7Low112 Ų112102.2 Ų102.249%0.49153%0.526SS..  trans-93.7105.6167.9-65.2-70.6000109.1A209 F212 F245 S249A209-F247 HydrophobicContact CB-CD1 4.08Å; A209-F247 HydrophobicContact CB-CD2 4.09Å; A209-F247 HydrophobicContact CB-CE1 4.27Å; A209-F247 HydrophobicContact CB-CE2 4.28Å; A209-F247 HydrophobicContact CB-CG 3.99Å; A209-F247 HydrophobicContact CB-CZ 4.37Å; F212-F247 HydrophobicContact CD2-CE2 4.1Å; F245-F247 HydrophobicContact CB-CD2 3.78Å; F245-F247 HydrophobicContact CB-CE2 3.89Å; F245-F247 HydrophobicContact CG-CE2 4.43Å; F245-F247 PolarHBondContact O-N 3.39Å; F247-S249 PolarHBondContact O-N 3.45Å
248S35.9Very low49.5Very low68 Ų68110 Ų11048%0.47655%0.551SS.*  trans-63.4102.6-177.7-167.40000111.1
249S37Very low47.7Very low26 Ų26107 Ų10718%0.18255%0.545CS..  trans-62.1127.4-178.1176.70000110.7F247 V251 E252F247-S249 PolarHBondContact O-N 3.45Å; S249-V251 PolarHBondContact O-N 3.04Å; S249-V251 VanDerWaalsContact O-N 3.1Å; S249-V251 PolarHBondContact OG-N 2.98Å; S249-E252 PolarHBondContact O-N 2.89Å
250P42.5Very low45.7Very low46 Ų46105.6 Ų105.630%0.29955%0.551SS.*Hα-helixtrans-62.5-20.3178.423.3-31.9000113.1R253P250-R253 PolarHBondContact O-N 3.14Å
251V41.8Very low43.9Very low84 Ų84106.9 Ų106.951%0.50956%0.563SS.*Hα-helixtrans-63.2-41.9176.3174.70000111.9S249 R253 I254S249-V251 PolarHBondContact O-N 3.04Å; S249-V251 VanDerWaalsContact O-N 3.1Å; S249-V251 PolarHBondContact OG-N 2.98Å; V251-R253 PolarHBondContact O-N 2.85Å; V251-I254 PolarHBondContact O-N 3.37Å
252E42.7Very low42.2Very low110 Ų110113.3 Ų113.351%0.51457%0.568SS.*Hα-helixtrans-69.4-23.9-179-64.6171.3-171.900113.1S249 I254 R256S249-E252 PolarHBondContact O-N 2.89Å; E252-I254 VanDerWaalsContact C-N 3.35Å; E252-R256 PolarHBondContact O-NE 3.45Å; E252-R256 VanDerWaalsContact O-NE 3.15Å; E252-R256 IonicContact OE2-NH2 3.64Å
253R41.4Very low41.5Very low91 Ų91115.6 Ų115.634%0.34359%0.587SS.*Hα-helixtrans-72.9-31.6176.8-163.9-177.3-73.1103.2-3.1111P250 V251 F257P250-R253 PolarHBondContact O-N 3.14Å; V251-R253 PolarHBondContact O-N 2.85Å; R253-F257 HydrophobicContact CG-CE2 4.01Å; R253-F257 WeakPolarHBondContact O-CD2 3.12Å; R253-F257 WeakPolarHBondContact O-CE2 3.32Å
254I46.4Very low41.2Very low119 Ų119121.7 Ų121.761%0.6161%0.612SS**Hα-helixtrans-73.1-37.9-178-64.8166000111.4V251 E252 F257V251-I254 PolarHBondContact O-N 3.37Å; E252-I254 VanDerWaalsContact C-N 3.35Å; I254-F257 PolarHBondContact O-N 2.91Å
255E38.3Very low41.4Very low151 Ų151118.5 Ų118.571%0.70661%0.606SS**Hα-helixtrans-69.6-34174.9-66.2-140.9140.800113.1F257 R258 T259E255-F257 PolarHBondContact O-N 2.94Å; E255-F257 VanDerWaalsContact O-N 3.11Å; E255-R258 PolarHBondContact O-N 3.45Å; E255-T259 PolarHBondContact O-N 3.27Å
256R38.4Very low42Very low126 Ų126121.3 Ų121.348%0.47561%0.614SS.*Hα-helixtrans-59.3-22.2175.9-96.8175-87.1147.6-12.7114.1E252E252-R256 PolarHBondContact O-NE 3.45Å; E252-R256 VanDerWaalsContact O-NE 3.15Å; E252-R256 IonicContact OE2-NH2 3.64Å
257F38.3Very low43.5Very low168 Ų168117.8 Ų117.874%0.73759%0.589SS**Hα-helixtrans-84.2-2.8173.8-68.2-64.3000114.5R253 I254 E255R253-F257 HydrophobicContact CG-CE2 4.01Å; R253-F257 WeakPolarHBondContact O-CD2 3.12Å; R253-F257 WeakPolarHBondContact O-CE2 3.32Å; I254-F257 PolarHBondContact O-N 2.91Å; E255-F257 PolarHBondContact O-N 2.94Å; E255-F257 VanDerWaalsContact O-N 3.11Å
258R46.3Very low44.9Very low226 Ų226117.2 Ų117.285%0.85360%0.597SS**Hα-helixtrans-116.7-9.3178.7-72.1-171.6170.4178.7-2.5115.3E255E255-R258 PolarHBondContact O-N 3.45Å
259T34.6Very low46.8Very low112 Ų112118.4 Ų118.469%0.68760%0.601SS**Hα-helixtrans-116.40.9174.553.40000114.4E255 V261E255-T259 PolarHBondContact O-N 3.27Å; T259-V261 PolarHBondContact O-N 3.23Å
260S32.8Very low48.8Very low98 Ų98121.7 Ų121.769%0.68561%0.614SS**  trans-7750.1170.7-160.90000112.8R262S260-R262 PolarHBondContact O-N 3.22Å
261V36.1Very low50.7Low128 Ų128126 Ų12678%0.77662%0.624SS**  trans-73.6111.41501780000104.6T259 S263T259-V261 PolarHBondContact O-N 3.23Å; V261-S263 PolarHBondContact O-N 2.91Å
262R35Very low52.4Low225 Ų225127.3 Ų127.385%0.84963%0.627SS**  trans-45.6120.4175.4-79.1179163.7159.2-4.5109S260 E264S260-R262 PolarHBondContact O-N 3.22Å; R262-E264 VanDerWaalsContact C-N 3.31Å; R262-E264 PolarHBondContact O-N 2.93Å
263S45Very low54.2Low120 Ų120129 Ų12984%0.83963%0.633SS**  trans-61.2104.8155.939.80000106.4V261V261-S263 PolarHBondContact O-N 2.91Å
264E50.6Low55.8Low166 Ų166127.7 Ų127.778%0.77663%0.633SS**  trans-49.6138.3178-164.2167.8-174.100108.9R262 R266R262-E264 VanDerWaalsContact C-N 3.31Å; R262-E264 PolarHBondContact O-N 2.93Å; E264-R266 PolarHBondContact O-N 2.84Å
265P51.2Low57.6Low102 Ų102125.6 Ų125.666%0.66263%0.626SS**  trans-64.198.2-171.424.9-34.2000110S267P265-S267 PolarHBondContact O-N 3.5Å
266R63.3Low59.3Low143 Ų143120 Ų12054%0.5460%0.601SS.*  trans-38.5129.8-180-88.1-172.9173.2168.32.6110.5E264 E270 R271 D274E264-R266 PolarHBondContact O-N 2.84Å; R266-E270 WeakPolarHBondContact CA-OE2 3.39Å; R266-E270 HydrophobicContact CB-CB 4.24Å; R266-R271 HydrophobicContact CB-CG 4.19Å; R266-R271 PolarHBondContact O-NE 3.41Å; R266-R271 PolarHBondContact O-NH1 2.95Å; R266-D274 IonicContact CZ-OD2 3.61Å; R266-D274 IonicContact NH1-OD1 3.2Å; R266-D274 IonicContact NH1-OD2 3.83Å; R266-D274 PolarHBondContact NH1-OD2 2.98Å
267S72.3Confident61.1Low52 Ų52119.2 Ų119.236%0.36461%0.607SS.*  trans-52.2145.9-175.7169.10000110.1P265 V269 E270 R271P265-S267 PolarHBondContact O-N 3.5Å; S267-V269 PolarHBondContact O-N 3.11Å; S267-V269 PolarHBondContact OG-N 3.16Å; S267-E270 PolarHBondContact N-OE2 3.11Å; S267-E270 WeakPolarHBondContact O-CA 3.35Å; S267-E270 WeakPolarHBondContact O-CB 3.34Å; S267-E270 PolarHBondContact O-N 3.43Å; S267-R271 PolarHBondContact O-N 3.01Å
268P73.3Confident62.9Low101 Ų101120 Ų12066%0.65661%0.61SS**Hα-helixtrans-50.2-32.4174.1-27.935.6000113L272P268-L272 WeakPolarHBondContact O-CB 3.31Å; P268-L272 PolarHBondContact O-N 3.46Å
269V76.1Confident64Low92 Ų92115 Ų11556%0.55860%0.598SS**Hα-helixtrans-68.6-38.9174.6179.90000112.1S267 L272 K273S267-V269 PolarHBondContact O-N 3.11Å; S267-V269 PolarHBondContact OG-N 3.16Å; V269-L272 PolarHBondContact O-N 3.06Å; V269-K273 HydrophobicContact CG1-CD 4.23Å; V269-K273 WeakPolarHBondContact O-CB 3.41Å; V269-K273 VanDerWaalsContact O-CG 3.27Å; V269-K273 WeakPolarHBondContact O-CG 3.5Å; V269-K273 PolarHBondContact O-N 3.11Å
270E77.5Confident65.5Low96 Ų96114.5 Ų114.545%0.44960%0.598SS.*Hα-helixtrans-71.3-39.8176.1-66.1176.6140.300111.6R266 S267 L272 K273 D274R266-E270 WeakPolarHBondContact CA-OE2 3.39Å; R266-E270 HydrophobicContact CB-CB 4.24Å; S267-E270 PolarHBondContact N-OE2 3.11Å; S267-E270 WeakPolarHBondContact O-CA 3.35Å; S267-E270 WeakPolarHBondContact O-CB 3.34Å; S267-E270 PolarHBondContact O-N 3.43Å; E270-L272 VanDerWaalsContact C-N 3.33Å; E270-L272 PolarHBondContact O-N 3.27Å; E270-K273 PolarHBondContact O-N 3.17Å; E270-D274 WeakPolarHBondContact O-CB 3.38Å; E270-D274 PolarHBondContact O-N 3.44Å
271R83.6Confident66.8Low137 Ų137115.6 Ų115.652%0.51760%0.595SS.*Hα-helixtrans-60.2-43.5171.8-70.9177.6169.3139.2-5.3111.3R266 S267 D274 T275R266-R271 HydrophobicContact CB-CG 4.19Å; R266-R271 PolarHBondContact O-NE 3.41Å; R266-R271 PolarHBondContact O-NH1 2.95Å; S267-R271 PolarHBondContact O-N 3.01Å; R271-D274 PolarHBondContact O-N 2.85Å; R271-T275 WeakPolarHBondContact O-CB 3.36Å; R271-T275 PolarHBondContact O-N 3.06Å; R271-T275 PolarHBondContact O-OG1 3.28Å; R271-T275 VanDerWaalsContact O-OG1 3.07Å
272L78.3Confident67.5Low110 Ų110118.9 Ų118.958%0.57660%0.595SS**Hα-helixtrans-61.9-44.7174-179.462.1000111.4P268 V269 E270 T275 V276P268-L272 WeakPolarHBondContact O-CB 3.31Å; P268-L272 PolarHBondContact O-N 3.46Å; V269-L272 PolarHBondContact O-N 3.06Å; E270-L272 VanDerWaalsContact C-N 3.33Å; E270-L272 PolarHBondContact O-N 3.27Å; L272-T275 PolarHBondContact O-N 3.06Å; L272-V276 HydrophobicContact CD1-CG2 3.9Å; L272-V276 HydrophobicContact CG-CG2 4.28Å; L272-V276 VanDerWaalsContact O-CB 3.27Å; L272-V276 WeakPolarHBondContact O-CB 3.39Å; L272-V276 WeakPolarHBondContact O-CG2 3.27Å; L272-V276 PolarHBondContact O-N 2.79Å
273K78.6Confident68.3Low145 Ų145115.2 Ų115.263%0.6360%0.598SS**Hα-helixtrans-63.7-42.3177.4-72.617374.2-178.60112.2V269 E270 N277V269-K273 HydrophobicContact CG1-CD 4.23Å; V269-K273 WeakPolarHBondContact O-CB 3.41Å; V269-K273 VanDerWaalsContact O-CG 3.27Å; V269-K273 WeakPolarHBondContact O-CG 3.5Å; V269-K273 PolarHBondContact O-N 3.11Å; E270-K273 PolarHBondContact O-N 3.17Å; K273-N277 WeakPolarHBondContact O-CB 3.31Å; K273-N277 PolarHBondContact O-N 3.07Å
274D76.8Confident68.2Low64 Ų64112.6 Ų112.634%0.34259%0.59SS.*Hα-helixtrans-61.4-44.6173.2-89.5-18.1000111.8R266 E270 R271 N277 K278R266-D274 IonicContact CZ-OD2 3.61Å; R266-D274 IonicContact NH1-OD1 3.2Å; R266-D274 IonicContact NH1-OD2 3.83Å; R266-D274 PolarHBondContact NH1-OD2 2.98Å; E270-D274 WeakPolarHBondContact O-CB 3.38Å; E270-D274 PolarHBondContact O-N 3.44Å; R271-D274 PolarHBondContact O-N 2.85Å; D274-N277 PolarHBondContact O-N 3.09Å; D274-K278 WeakPolarHBondContact O-CB 3.3Å; D274-K278 WeakPolarHBondContact O-CG 3.45Å; D274-K278 PolarHBondContact O-N 3.05Å
275T82.5Confident68Low75 Ų75109.9 Ų109.946%0.4659%0.59SS.*Hα-helixtrans-66.6-43.6178.9-64.10000111.7R271 L272 K278 M279R271-T275 WeakPolarHBondContact O-CB 3.36Å; R271-T275 PolarHBondContact O-N 3.06Å; R271-T275 PolarHBondContact O-OG1 3.28Å; R271-T275 VanDerWaalsContact O-OG1 3.07Å; L272-T275 PolarHBondContact O-N 3.06Å; T275-K278 PolarHBondContact O-N 3.07Å; T275-M279 WeakPolarHBondContact O-CG 3.46Å; T275-M279 PolarHBondContact O-N 2.94Å
276V74.1Confident67.9Low33 Ų33110.2 Ų110.220%0.259%0.592CS.*Hα-helixtrans-67.1-36.6177.7167.90000111.6L272 M279 C280 L281 Y282L272-V276 HydrophobicContact CD1-CG2 3.9Å; L272-V276 HydrophobicContact CG-CG2 4.28Å; L272-V276 VanDerWaalsContact O-CB 3.27Å; L272-V276 WeakPolarHBondContact O-CB 3.39Å; L272-V276 WeakPolarHBondContact O-CG2 3.27Å; L272-V276 PolarHBondContact O-N 2.79Å; V276-M279 PolarHBondContact O-N 3.13Å; V276-C280 PolarHBondContact O-N 3.34Å; V276-L281 HydrophobicContact CG1-CB 4.27Å; V276-L281 PolarHBondContact O-N 3.47Å; V276-Y282 HydrophobicContact CG1-CD2 3.52Å; V276-Y282 HydrophobicContact CG1-CE2 3.86Å
277N77.8Confident67.1Low111 Ų111115.1 Ų115.159%0.59461%0.61SS**Hα-helixtrans-67.7-43172.9-170.137.2000111.3K273 D274 M279 C280K273-N277 WeakPolarHBondContact O-CB 3.31Å; K273-N277 PolarHBondContact O-N 3.07Å; D274-N277 PolarHBondContact O-N 3.09Å; N277-M279 VanDerWaalsContact C-N 3.32Å; N277-M279 PolarHBondContact O-N 3.18Å; N277-C280 PolarHBondContact O-N 3Å
278K75.7Confident65.3Low184 Ų184115.7 Ų115.780%0.863%0.625SS**Hα-helixtrans-62.5-34.1173-85.7-172.4169.2-171.20113.7D274 T275D274-K278 WeakPolarHBondContact O-CB 3.3Å; D274-K278 WeakPolarHBondContact O-CG 3.45Å; D274-K278 PolarHBondContact O-N 3.05Å; T275-K278 PolarHBondContact O-N 3.07Å
279M70.1Confident63.7Low120 Ų120116.2 Ų116.259%0.59163%0.63SS**THydrogen-bonded Turntrans-85.86.5174.6-62.9-148.4-60.200113T275 V276 N277 L281T275-M279 WeakPolarHBondContact O-CG 3.46Å; T275-M279 PolarHBondContact O-N 2.94Å; V276-M279 PolarHBondContact O-N 3.13Å; N277-M279 VanDerWaalsContact C-N 3.32Å; N277-M279 PolarHBondContact O-N 3.18Å; M279-L281 HydrophobicContact CB-CD1 4.26Å; M279-L281 HydrophobicContact CB-CG 3.94Å; M279-L281 HydrophobicContact CE-CD1 3.99Å; M279-L281 PolarHBondContact O-N 2.76Å
280C65.7Low61.6Low102 Ų102119.2 Ų119.269%0.68964%0.643SS**THydrogen-bonded Turntrans51.126.5176.9-62.20000114.7V276 N277 Y282V276-C280 PolarHBondContact O-N 3.34Å; N277-C280 PolarHBondContact O-N 3Å; C280-Y282 VanDerWaalsContact C-N 3.25Å; C280-Y282 PolarHBondContact O-N 2.88Å
281L60.1Low59.6Low121 Ų121120.2 Ų120.263%0.63466%0.661SS**  trans-76.3-12.7-174-63.2-179.3000113.2V276 M279V276-L281 HydrophobicContact CG1-CB 4.27Å; V276-L281 PolarHBondContact O-N 3.47Å; M279-L281 HydrophobicContact CB-CD1 4.26Å; M279-L281 HydrophobicContact CB-CG 3.94Å; M279-L281 HydrophobicContact CE-CD1 3.99Å; M279-L281 PolarHBondContact O-N 2.76Å
282Y50.1Low57.1Low197 Ų197120.8 Ų120.877%0.77368%0.68SS**SBendtrans-98.9116.4163.5-85.6-90.1000110.3V276 C280 G284V276-Y282 HydrophobicContact CG1-CD2 3.52Å; V276-Y282 HydrophobicContact CG1-CE2 3.86Å; C280-Y282 VanDerWaalsContact C-N 3.25Å; C280-Y282 PolarHBondContact O-N 2.88Å; Y282-G284 PolarHBondContact O-N 3.32Å; Y282-G284 VanDerWaalsContact O-N 3.1Å
283T52.1Low55Low148 Ų148120.3 Ų120.391%0.90869%0.686SS**  trans-66.6100.4168.953.70000110.1
284G42.5Very low53.3Low65 Ų65118.8 Ų118.867%0.6769%0.691SS**  trans172.297.7176.400000114.5Y282 P286Y282-G284 PolarHBondContact O-N 3.32Å; Y282-G284 VanDerWaalsContact O-N 3.1Å; G284-P286 WeakPolarHBondContact O-CD 3.3Å
285S47.5Very low51.1Low110 Ų110123.1 Ų123.177%0.76971%0.709SS**PPolyproline II helixtrans-58.4135.4175.61690000113.3
286P47.3Very low49Very low109 Ų109125.6 Ų125.671%0.70873%0.726SS**PPolyproline II helixtrans-92.7136.2140.932.8-25.6000109.9G284G284-P286 WeakPolarHBondContact O-CD 3.3Å
287R47.6Very low47Very low245 Ų245128.7 Ų128.793%0.92575%0.749SS**PPolyproline II helixtrans-71.2149.5173.7-83.2173.5153.3175.8-7.8111.7
288G34.8Very low45.6Very low65 Ų65128.9 Ų128.967%0.6776%0.757SS**  trans105.4102.1168.800000111.8
289S39.1Very low43.8Very low111 Ų111132.1 Ų132.178%0.77676%0.764SS**  74.4123.578.3-80.90000112
290D32.2Very low42.1Very low155 Ų155135.1 Ų135.183%0.82977%0.774SS**  cis-139.9137.111.3-69.3-56.5000113.1
291S34.9Very low40.7Very low117 Ų117141.2 Ų141.282%0.81878%0.782SS**  trans-108.1114172.656.90000110.7
292T32.3Very low39.2Very low149 Ų149140.6 Ų140.691%0.91479%0.788SS**  trans-97.194172.3167.80000111
293S34.2Very low38.3Very low101 Ų101137.1 Ų137.171%0.70679%0.792SS**  trans178.8127.7160-175.90000106.9
294P42Very low37.6Very low113 Ų113138.1 Ų138.173%0.73479%0.791SS**  -156.6151.799.238.3-19.3000117.7
295Q31.4Very low37.8Very low154 Ų154140.6 Ų140.672%0.7280%0.796SS**  trans-144.9142.6144.1-87.5-50.3-71.200107.6
296P37.4Very low36.9Very low127 Ų127143.1 Ų143.183%0.82580%0.801SS**  -134.4179.273.733.5-15.4000115.7
297S31.8Very low36.5Very low98 Ų98143.5 Ų143.569%0.68580%0.8SS**  trans-109.2-157.3-159.453.90000113.5
298P49.4Very low35.9Very low115 Ų115138.5 Ų138.575%0.74780%0.797SS**  -128.2159.3-87.538.8-23.5000115.3
299R37.1Very low35.6Very low252 Ų252142.6 Ų142.695%0.95180%0.804SS**  trans-143.9107.8163.2-85.8-163.1163.4-151.4-3116.1
300K34.6Very low35.4Very low184 Ų184142.3 Ų142.380%0.880%0.797SS**  trans21.8126.5147.1-70.2178.3175.4175.30122.1
301R36.3Very low35.4Very low230 Ų230143.2 Ų143.287%0.86880%0.798SS**  trans66142.4137.8-66.8-179.2176.8179.1-2.9116.8
302S27.8Very low35.3Very low107 Ų107144.5 Ų144.575%0.74880%0.795SS**  cis-163.717519.6410000113.4
303S31.8Very low35.2Very low124 Ų124145.6 Ų145.687%0.86779%0.787SS**  trans91.3152.5157.473.80000119.5
304L36.9Very low35Very low170 Ų170150.5 Ų150.589%0.8980%0.796SS**  trans-99.5170.6-159.4-89.6167.7000112.6
305P47.7Very low34.5Very low117 Ų117154.3 Ų154.376%0.7680%0.801SS**  trans-86.1157.3-162.435.3-37000114.2
306D28.9Very low34.4Very low163 Ų163153.9 Ų153.987%0.87281%0.809SS**  trans-124.4163.2167.7-163.213.4000111.1
307V38.2Very low34Very low116 Ų116151.3 Ų151.370%0.70381%0.805SS**  trans-114.6128.4-148.41660000111.9
308V35.1Very low34Very low140 Ų140152 Ų15285%0.84881%0.811SS**  trans56.792.9152.8-175.80000117.8
309D29.2Very low33.2Very low152 Ų152150.6 Ų150.681%0.81381%0.809SS**  trans-156.6136.4143.4-154.117000104.8
310V33.6Very low33.5Very low105 Ų105148.2 Ų148.264%0.63681%0.805SS**  cis-152.313328.4176.80000108.1
311M33.3Very low33.5Very low174 Ų174148.1 Ų148.186%0.85781%0.805SS**  trans-163.257.5140.6-158.174.378.600111.9
312L33.3Very low33.3Very low144 Ų144144 Ų14475%0.75480%0.799SS**  trans-64.7141157.1-161.383.7000108.7
313K28.6Very low33.4Very low172 Ų172145.6 Ų145.675%0.74880%0.799SS**  trans79.997.1171-51.3170.2178.8170.90117.4
314F30.3Very low33.6Very low203 Ų203147.5 Ų147.589%0.8980%0.799SS**  -168.5134.9100-113.8-99.1000105.1
315K32Very low33.3Very low194 Ų194143.3 Ų143.384%0.84380%0.797SS**  -170.114359.3-178.9164.2176.9172.20110.2
316T30.2Very low32.7Very low145 Ų145145.7 Ų145.789%0.8980%0.798SS**  trans-92.3144.6-175.8-55.50000112.9
317G28.2Very low33Very low72 Ų72144.6 Ų144.674%0.74279%0.787SS**  trans93.3138.6159.200000115.4
318S31.9Very low32.8Very low114 Ų114143.8 Ų143.880%0.79778%0.779SS**  cis-160.7146.84.461.50000113.6
319A31.4Very low32.9Very low85 Ų85146.3 Ų146.370%0.70277%0.773SS**  trans49.9114.5145.300000120.6
320K43.6Very low33.2Very low201 Ų201144.7 Ų144.787%0.87477%0.773SS**  -179.5145.299-92154.3-171.7174.60112.7
321K35.1Very low33.1Very low182 Ų182143.3 Ų143.379%0.79178%0.779SS**  trans19.9134.8153-81.1-173.1158.7-168.60121
322L31.5Very low33.5Very low144 Ų144140.1 Ų140.175%0.75477%0.774SS**  50.3135.4127.4-47.9171.6000117.3
323D31.3Very low33.5Very low141 Ų141138.4 Ų138.475%0.75477%0.773SS**  -166.618053.8-161.110.4000112.7
324L34.9Very low33.7Very low163 Ų163138 Ų13885%0.85377%0.773SS**  trans-46.5153174.6-87.454.1000115.6
325G32Very low33.7Very low83 Ų83133.3 Ų133.386%0.85676%0.758SS**  trans-178.467.7173.300000112.8
326E34.1Very low33.6Very low167 Ų167131 Ų13178%0.7875%0.748SS**  trans-85.8148.7-172.3-106.7-169.1163.200114.7
327H34.4Very low33.7Very low139 Ų139132.6 Ų132.664%0.64474%0.738SS**  trans64.8153.1156-68.184.4000117.3
328D34.4Very low33.8Very low99 Ų99135.9 Ų135.953%0.52974%0.738SS.*  cis-155.8167.97.6-142.6-17.4000113.7
329R38.5Very low33.8Very low194 Ų194137.6 Ų137.673%0.73274%0.737SS**  trans27.1149.7141.8-93.4172.8-84.2-106.5-9.4122
330C34.3Very low33.8Very low118 Ų118138.2 Ų138.280%0.79774%0.736SS**  cis-166.6157.96.5-1680000110.5
331G32.2Very low33.1Very low75 Ų75136.7 Ų136.777%0.77374%0.738SS**  trans45.1145.813900000121.5
332S42.4Very low32.9Very low108 Ų108131 Ų13176%0.75573%0.731SS**  cis-162.9142.929-179.80000107.3
333C31.4Very low32.8Very low107 Ų107127.9 Ų127.972%0.72373%0.733SS**  50.5131.176.8-127.80000112.6
334E34.1Very low32.9Very low163 Ų163128.2 Ų128.276%0.76274%0.735SS**  cis-143155.129.6-68.6166.9161.300110.1
335D28.9Very low32.8Very low106 Ų106127.3 Ų127.357%0.56773%0.73SS**  77.5154.853.9-156.227000116.2R337D335-R337 IonicContact OD1-NE 3.67Å; D335-R337 IonicContact OD2-CZ 3.95Å; D335-R337 IonicContact OD2-NE 3.02Å; D335-R337 IonicContact OD2-NH2 3.78Å; D335-R337 PolarHBondContact OD2-NH2 3.39Å
336F31Very low32.8Very low145 Ų145128.1 Ų128.164%0.63673%0.728SS**  trans92.3106.5179.8-64.4-91.8000116.2
337R32.8Very low32.6Very low178 Ų178128.7 Ų128.767%0.67273%0.731SS**  75.7143.759.6-72-176.7-137.6-162.37.7112.9D335D335-R337 IonicContact OD1-NE 3.67Å; D335-R337 IonicContact OD2-CZ 3.95Å; D335-R337 IonicContact OD2-NE 3.02Å; D335-R337 IonicContact OD2-NH2 3.78Å; D335-R337 PolarHBondContact OD2-NH2 3.39Å
338L30Very low32.4Very low141 Ų141127.8 Ų127.874%0.73874%0.735SS**  cis-177163.7-18.9-132.8177.5000106.7
339L30.5Very low32.3Very low151 Ų151132.9 Ų132.979%0.79175%0.752SS**  trans70.6155.2166.3-53.8164000115.8
340S33.1Very low31.8Very low97 Ų97131.8 Ų131.868%0.67876%0.756SS**  cis-161.4162.4-0.8-136.10000111.2
341D28.7Very low31.5Very low169 Ų169132.5 Ų132.590%0.90476%0.757SS**  trans55148.1143.4-124.817.4000120.7
342G30.3Very low31.4Very low63 Ų63133.9 Ų133.965%0.64975%0.75SS**  cis157.2119.4-4.500000111.7
343G29.5Very low30.9Very low78 Ų78137.1 Ų137.180%0.80475%0.753SS**  trans65.4170.9170.900000117.6
344D33.2Very low30.8Very low148 Ų148138.4 Ų138.479%0.79175%0.753SS**  cis-157.2162.9-24.5-144.4-3.5000111.2
345I32.9Very low30.7Very low144 Ų144136 Ų13674%0.73875%0.75SS**  trans-22.4132.8176-58.4146.8000119.2
346A32.9Very low30.7Very low100 Ų100137.3 Ų137.383%0.82676%0.756SS**  trans-156.3131.5139.500000112.8
347Q30.1Very low30.7Very low179 Ų179137 Ų13784%0.83676%0.76SS**  trans-87.9163.6170.2-59.7172.48.100110.6
348V29.3Very low30.4Very low121 Ų121134.3 Ų134.373%0.73377%0.767SS**  156.3138125.9159.80000113.4
349K32.3Very low30.4Very low205 Ų205136.8 Ų136.889%0.89177%0.772SS**  trans91.1149158.6-89.7164-171-176.60121.6
350Q28.9Very low30.3Very low171 Ų171137.8 Ų137.880%0.79977%0.773SS**  trans-149.2132.2-156.6161.3-166.36.700106.9
351T26.4Very low30.1Very low134 Ų134142 Ų14282%0.82278%0.782SS**  trans177.7121.3157.728.40000105.7
352V30.8Very low30.3Very low104 Ų104139.8 Ų139.863%0.6377%0.774SS**  86.912654172.10000112.5
353E31.2Very low30.8Very low176 Ų176142.7 Ų142.782%0.82278%0.781SS**  trans66.8149.2164.3-77.7164.7-155.300118.9
354D29.6Very low30.7Very low133 Ų133145.4 Ų145.471%0.71178%0.778SS**  cis-165.5168.7-20.6-1591.1000109.3
355T32.7Very low30.6Very low114 Ų114146 Ų14670%0.69978%0.781SS**  trans57.4160163.759.70000118.5
356D29.5Very low30.6Very low133 Ų133148 Ų14871%0.71179%0.787SS**  cis-162.7169.917.7-144.8-14.5000114.2
357I30.9Very low30.4Very low138 Ų138152.8 Ų152.871%0.70879%0.792SS**  trans74.6126.2153.8-64.5154.4000121.8
358C26.5Very low30.5Very low122 Ų122148.3 Ų148.382%0.82479%0.786SS**  trans-96.9155170.7-55.80000114.1
359K29.5Very low30.5Very low192 Ų192149.6 Ų149.684%0.83579%0.789SS**  trans-148.4121148.7-68-164.2179.3-1780108.3
360E29Very low30.6Very low173 Ų173146.7 Ų146.781%0.80878%0.783SS**  60.2103.782.4-85.1-75.1169.800113.2
361E27.3Very low30.9Very low186 Ų186142.5 Ų142.587%0.86978%0.777SS**  -179.2132123.7-100176.1-169.200111.7
362T33.6Very low31.1Very low122 Ų122143.3 Ų143.375%0.74878%0.777SS**  trans-104.1158.7157.953.60000108.2
363P41.7Very low31.2Very low123 Ų123145 Ų14580%0.79978%0.783SS**  -147.7164.1107.436.2-20000116.7
364N26.6Very low31.1Very low136 Ų136142.4 Ų142.473%0.72778%0.778SS**  trans-55162.9172.3-41.2-55.7000114.4
365N30.3Very low31.1Very low160 Ų160146.1 Ų146.186%0.85678%0.782SS**  -170.8153109.1-90.5-15.2000113.2
366E32.6Very low30.8Very low186 Ų186148 Ų14887%0.86978%0.783SS**  trans-80.3158.1174.7-50173136.500111.1
367E29.9Very low30.7Very low201 Ų201148.1 Ų148.194%0.93978%0.779SS**  -165.9163.2122.1-137.7158.717900112.3
368A32.2Very low30.6Very low85 Ų85151.8 Ų151.870%0.70279%0.786SS**  trans-100.1166.7-177.300000112.2
369D29.7Very low30.7Very low148 Ų148151.6 Ų151.679%0.79179%0.785SS**  170.7172.895.5-133.8-29.9000114.4
370N32.7Very low30.5Very low143 Ų143151.8 Ų151.877%0.76579%0.788SS**  trans-55154.2-167.1-93.5-77.9000123.9
371A35.9Very low30.7Very low83 Ų83155 Ų15569%0.68679%0.793SS**  94.9145125.800000125.6
372D30.8Very low30.6Very low152 Ų152153.2 Ų153.281%0.81380%0.795SS**  trans7381.2151.4-66.4-16.2000123.9
373N32.9Very low30.4Very low140 Ų140152.3 Ų152.375%0.74979%0.794SS**  34.6119.6106.7-155.2-1.4000120.2
374V29.8Very low29.9Very low120 Ų120153.7 Ų153.773%0.72779%0.793SS**  179.7120.8122148.30000112.5
375R29.6Very low29.9Very low212 Ų212155.6 Ų155.680%0.880%0.798SS**  trans29.5135.1141.8-41.7169.979.3169.73.2118.4
376Q26.5Very low29.8Very low152 Ų152152.1 Ų152.171%0.7179%0.786SS**  -176.6136.561.3-179.8158.3-23.200113.7
377E27.7Very low29.5Very low137 Ų137148 Ų14864%0.6478%0.778SS**  trans51.6117142.3-158.1168.7-148.700121.5
378Y27.4Very low29.5Very low215 Ų215146.3 Ų146.384%0.84377%0.774SS**  -167.5155.6104.7-116.8-92.9000110.8
379C28.4Very low29.3Very low118 Ų118146.9 Ų146.980%0.79777%0.773SS**  trans-81.9145.1176.1-65.10000112
380E27.1Very low29.6Very low195 Ų195150 Ų15091%0.91177%0.774SS**  -163.7166.3126.5-114.6173.9-159.700113.5
381R32.2Very low29.6Very low242 Ų242149.5 Ų149.591%0.91377%0.767SS**  trans-71.8139.7-179.9-71.5170.4157.1122.6-9.4111.4
382T25.9Very low29.5Very low148 Ų148151.3 Ų151.391%0.90877%0.77SS**  trans-139.3157149.638.90000112.1
383S28.1Very low29.3Very low103 Ų103150.6 Ų150.672%0.7277%0.771SS**  trans-115163.7173.4-161.60000108.5
384L32.5Very low29.5Very low151 Ų151151.1 Ų151.179%0.79177%0.772SS**  trans75.9153.7164.5-59.1172000119.5
385E26.9Very low29.4Very low177 Ų177154.5 Ų154.583%0.82778%0.78SS**  trans72.3148.6157.2-80.9-172.811400118.7
386S27.2Very low29.5Very low87 Ų87149.7 Ų149.761%0.60877%0.774SS**  cis-163175.3-9.6-135.40000111.7
387S26.1Very low29.9Very low99 Ų99150.3 Ų150.369%0.69278%0.777SS**  trans59.6131.5144.4-62.40000123.4
388L29.4Very low30Very low166 Ų166149.1 Ų149.187%0.86978%0.779SS**  173110122.9-89.5152.7000106.2
389S29.3Very low30.1Very low97 Ų97147.1 Ų147.168%0.67878%0.782SS**  100.2117.655.6-83.20000112.7
390R34.9Very low30.2Very low212 Ų212149.4 Ų149.480%0.879%0.786SS**  trans58.3151.1147.3-92.5176.3173.4-125.92.9118.5
391E32.6Very low30.2Very low134 Ų134144.2 Ų144.263%0.62678%0.776SS**  cis-151172.2-2.5-156143.5-175.600110.4
392T34.6Very low29.8Very low120 Ų120138.7 Ų138.774%0.73677%0.769SS**  trans-84.4161.1-173.2480000114.9
393V27.1Very low29.8Very low138 Ų138138.9 Ų138.984%0.83677%0.765SS**  -177.9158.4114.1152.10000109.9
394I36.5Very low29.6Very low151 Ų151146 Ų14677%0.77478%0.775SS**  trans-112.9143.3-169.8-57.1159.9000109.1
395E27.6Very low29.6Very low191 Ų191143.6 Ų143.689%0.89377%0.771SS**  trans-151.9136.9148.9-132172-17300114.1
396T31.3Very low29.5Very low110 Ų110143.3 Ų143.368%0.67577%0.77SS**  trans-87.4159.9163.744.30000108
397E35.4Very low29.7Very low166 Ų166145.9 Ų145.978%0.77678%0.776SS**  cis-174166.144.2-147.8164.8-133.100110.6
398T29.9Very low29.7Very low111 Ų111147.2 Ų147.268%0.68178%0.776SS**  trans6.1134.1161.653.70000122.7
399L30Very low29.6Very low173 Ų173144.1 Ų144.191%0.90677%0.768SS**  179.4154.499.4-93.5177.3000114.2
400L29Very low29.5Very low167 Ų167144.8 Ų144.887%0.87477%0.771SS**  trans-94.9141.3175.1-89.6156.9000111.7
401A27.1Very low29.2Very low85 Ų85141.4 Ų141.470%0.70277%0.768SS**  140145.5116.800000117.6
402T24.5Very low29.1Very low126 Ų126140.8 Ų140.877%0.77377%0.774SS**  trans91.598.6147.3-40.30000121.1
403N26.8Very low28.9Very low153 Ų153142.3 Ų142.382%0.81877%0.773SS**  trans-3141.9140.3-57.5-55.6000119.9
404R24Very low29Very low251 Ų251147 Ų14795%0.94778%0.775SS**  -168.9162.199.8-143.5167.3-179.9173.5-2.1112.9
405S30.6Very low28.7Very low101 Ų101146.8 Ų146.871%0.70678%0.776SS**  trans-113.6152.9-175.2169.40000112.1
406E26.1Very low28.9Very low172 Ų172142.8 Ų142.880%0.80477%0.765SS**  trans-166117.5150.2-106.3161.4-175.600108.9
407L31.5Very low28.9Very low140 Ų140149.3 Ų149.373%0.73378%0.777SS**  69.9142101.5-64.7-174000114.5
408D25.5Very low28.9Very low127 Ų127147.4 Ų147.468%0.67978%0.777SS**  cis-163.6-178.317.7-141.6-27.5000114.4
409S27.1Very low29.3Very low102 Ų102148 Ų14871%0.71378%0.782SS**  trans83.8112.2163.8-60.90000119.4
410C28Very low29.2Very low110 Ų110144 Ų14474%0.74377%0.774SS**  88.3134.756.6-75.60000113.5
411L28.5Very low29.3Very low141 Ų141140.7 Ų140.774%0.73877%0.771SS**  cis-165.9176.5-6.9-155.9115.8000110.2
412T29.8Very low29.5Very low122 Ų122146.4 Ų146.475%0.74878%0.78SS**  trans85.4139168.372.30000119.2
413Q30.3Very low30Very low151 Ų151146.8 Ų146.871%0.70678%0.782SS**  cis-165.5123.7-28.1-168.5176.250.200110.2
414R30.7Very low30.3Very low237 Ų237144.5 Ų144.589%0.89478%0.778SS**  trans171.2125.6130.3-93.5-179.2-156.61082.8112
415D29.4Very low30.7Very low146 Ų146143.4 Ų143.478%0.78178%0.775SS**  trans-81.3172.9-174.6-77.6-74.2000115.5
416T30.8Very low30.8Very low107 Ų107146 Ų14666%0.65678%0.782SS**  cis-179.7132.7-31.5-87.50000108.3
417R32.2Very low31.4Very low248 Ų248145.3 Ų145.394%0.93678%0.783SS**  trans-169.7103140.6-114.6178.6-178.6168.31.5112.3
418T34.4Very low32Very low126 Ų126146.5 Ų146.577%0.77379%0.788SS**  trans-106.4-175.71622.60000108
419P39.6Very low32.2Very low122 Ų122145 Ų14579%0.79279%0.787SS**  cis-121.4-170.614.943.6-25.8000112.2
420A27.7Very low32.6Very low90 Ų90145.7 Ų145.774%0.74479%0.788SS**  cis-149.215311.400000111.3
421A30.2Very low33Very low97 Ų97145.8 Ų145.880%0.80279%0.787SS**  trans-88.713016800000110.5
422K32.4Very low33.4Very low205 Ų205146.7 Ų146.789%0.89179%0.792SS**  trans-103.7114.8155.8-80.8-175.6176.7177.40107.6S424K422-S424 PolarHBondContact O-N 3.35Å
423V33.8Very low33.7Very low135 Ų135146.1 Ų146.182%0.81879%0.787SS**PPolyproline II helixtrans-67.3126.1169.8174.20000107.8
424S33Very low34Very low105 Ų105147.1 Ų147.173%0.73479%0.792SS**PPolyproline II helixtrans-68.6140.7174-59.20000110.3K422K422-S424 PolarHBondContact O-N 3.35Å
425Y33.9Very low34.2Very low227 Ų227145.1 Ų145.189%0.8978%0.784SS**PPolyproline II helixtrans-71.5133.7165.7-77.4-90.8000109.6L427Y425-L427 PolarHBondContact O-N 3.35Å
426D31.1Very low34.5Very low157 Ų157144.3 Ų144.384%0.8479%0.785SS**PPolyproline II helixtrans-64.1116.9177-81-48000111.6I428D426-I428 PolarHBondContact O-N 3Å
427L39.5Very low34.7Very low157 Ų157146.9 Ų146.982%0.82279%0.789SS**  trans-76.998.6167.4-68.9169.9000108.8Y425 C429Y425-L427 PolarHBondContact O-N 3.35Å; L427-C429 PolarHBondContact O-N 3.44Å
428I43.3Very low35Very low165 Ų165144 Ų14485%0.84679%0.786SS**  trans-73.570.4164.5-53.3178.8000108.7D426D426-I428 PolarHBondContact O-N 3Å
429C30.9Very low34.7Very low96 Ų96140.7 Ų140.765%0.64977%0.772SS**SBendtrans-150.5107.3169.6-86.10000106.2L427 P431L427-C429 PolarHBondContact O-N 3.44Å; C429-P431 WeakPolarHBondContact O-CD 3.5Å
430P35.8Very low34.2Very low116 Ų116140.7 Ų140.775%0.75377%0.774SS**  trans-62.5125.917925.3-32.6000109.2I432P430-I432 PolarHBondContact O-N 2.87Å; P430-I432 VanDerWaalsContact O-N 3.09Å
431P36.3Very low34.4Very low111 Ų111145 Ų14572%0.72178%0.777SS**  trans-66.7113.9174.426.9-32.4000108.3C429 V433C429-P431 WeakPolarHBondContact O-CD 3.5Å; P431-V433 VanDerWaalsContact C-N 3.25Å; P431-V433 PolarHBondContact O-N 3.01Å
432I37.1Very low34.5Very low161 Ų161145.8 Ų145.883%0.82678%0.775SS**  trans-69.693.1167.3-61.4175.4000106.3P430 E434P430-I432 PolarHBondContact O-N 2.87Å; P430-I432 VanDerWaalsContact O-N 3.09Å; I432-E434 VanDerWaalsContact C-N 3.35Å; I432-E434 PolarHBondContact O-N 2.81Å
433V35.1Very low34.2Very low109 Ų109141.5 Ų141.566%0.66177%0.77SS**  trans-66.599.1168.8176.90000107P431 R435P431-V433 VanDerWaalsContact C-N 3.25Å; P431-V433 PolarHBondContact O-N 3.01Å; V433-R435 HydrophobicContact CG1-CG 4.18Å; V433-R435 PolarHBondContact O-N 2.97Å
434E35.9Very low34.2Very low172 Ų172142.9 Ų142.980%0.80477%0.767SS**  trans-6784173.1-171.5169.2-151.800109.1I432 V436I432-E434 VanDerWaalsContact C-N 3.35Å; I432-E434 PolarHBondContact O-N 2.81Å; E434-V436 PolarHBondContact O-N 2.88Å
435R35.7Very low34Very low195 Ų195144.5 Ų144.574%0.73677%0.768SS**  trans-67.1104.4168.4-66.8-169.6-1601526.2107.8V433 H437V433-R435 HydrophobicContact CG1-CG 4.18Å; V433-R435 PolarHBondContact O-N 2.97Å; R435-H437 VanDerWaalsContact C-N 3.34Å; R435-H437 PolarHBondContact O-N 3.09Å; R435-H437 PolarHBondContact O-ND1 3.18Å
436V35.5Very low33.9Very low129 Ų129141 Ų14178%0.78276%0.759SS**  trans-52.199.5164177.70000108.1E434 Q438E434-V436 PolarHBondContact O-N 2.88Å; V436-Q438 PolarHBondContact O-N 2.8Å
437H34.4Very low34Very low162 Ų162139.3 Ų139.375%0.7575%0.751SS**  trans-74.697.4166.9-77.577.2000106.7R435 A439R435-H437 VanDerWaalsContact C-N 3.34Å; R435-H437 PolarHBondContact O-N 3.09Å; R435-H437 PolarHBondContact O-ND1 3.18Å; H437-A439 PolarHBondContact O-N 2.97Å
438Q39Very low33.5Very low186 Ų186143 Ų14387%0.86975%0.753SS**  trans-71.370.4169.4-166.9175.827.100109.4V436 S440V436-Q438 PolarHBondContact O-N 2.8Å; Q438-S440 PolarHBondContact O-N 2.95Å
439A28.1Very low32.8Very low58 Ų58143.2 Ų143.248%0.47975%0.749SS.*  trans-85.4105173.500000109H437 F441H437-A439 PolarHBondContact O-N 2.97Å; A439-F441 HydrophobicContact CB-CD2 3.96Å; A439-F441 HydrophobicContact CB-CE2 3.53Å; A439-F441 HydrophobicContact CB-CZ 4.32Å; A439-F441 WeakPolarHBondContact O-CD2 3.38Å; A439-F441 PolarHBondContact O-N 2.84Å
440S30.3Very low32.9Very low121 Ų121146.7 Ų146.785%0.84676%0.76SS**  trans-72.785.6175.1410000111.1Q438 C442Q438-S440 PolarHBondContact O-N 2.95Å; S440-C442 PolarHBondContact O-N 3.21Å
441F31.3Very low32.6Very low181 Ų181149.4 Ų149.479%0.79476%0.762SS**  trans-74.994.7173.7-76.7-77.3000111.6A439 C443A439-F441 HydrophobicContact CB-CD2 3.96Å; A439-F441 HydrophobicContact CB-CE2 3.53Å; A439-F441 HydrophobicContact CB-CZ 4.32Å; A439-F441 WeakPolarHBondContact O-CD2 3.38Å; A439-F441 PolarHBondContact O-N 2.84Å; F441-C443 PolarHBondContact O-N 3.23Å
442C31.4Very low32.4Very low114 Ų114152 Ų15277%0.7777%0.768SS**  trans-75104.8163.7-175.20000109.5S440 Q444S440-C442 PolarHBondContact O-N 3.21Å; C442-Q444 PolarHBondContact O-N 3.02Å; C442-Q444 VanDerWaalsContact O-N 3.1Å
443C27.4Very low32Very low115 Ų115150 Ų15078%0.77777%0.769SS**  trans-72.698.9174.1-66.10000110.6F441 N445F441-C443 PolarHBondContact O-N 3.23Å; C443-N445 PolarHBondContact O-N 3.43Å; C443-N445 VanDerWaalsContact O-N 3.1Å
444Q32Very low31.7Very low163 Ų163148.2 Ų148.276%0.76277%0.772SS**  trans-67.9106.6167-80-168.8-3.600110.2C442 Q446C442-Q444 PolarHBondContact O-N 3.02Å; C442-Q444 VanDerWaalsContact O-N 3.1Å; Q444-Q446 PolarHBondContact O-N 3.34Å; Q444-Q446 VanDerWaalsContact O-N 3.09Å
445N29.9Very low31.5Very low139 Ų139146.6 Ų146.674%0.74377%0.774SS**  trans-77.990.7179.8-1655.4000110.9C443 N447C443-N445 PolarHBondContact O-N 3.43Å; C443-N445 VanDerWaalsContact O-N 3.1Å; N445-N447 PolarHBondContact O-N 3.5Å
446Q31.3Very low31.3Very low153 Ų153145.1 Ų145.172%0.71578%0.775SS**  trans-91.791.8172-71.2-165.919.100111.3Q444 R448Q444-Q446 PolarHBondContact O-N 3.34Å; Q444-Q446 VanDerWaalsContact O-N 3.09Å; Q446-R448 PolarHBondContact O-N 3.22Å; Q446-R448 VanDerWaalsContact O-N 3.12Å
447N33.4Very low31.1Very low123 Ų123144.8 Ų144.866%0.65878%0.779SS**  trans-59.3110.6165.8-87.5-29.5000110.8N445N445-N447 PolarHBondContact O-N 3.5Å
448R29.1Very low31Very low234 Ų234146.6 Ų146.688%0.88378%0.779SS**  trans-116.688.5160.4-92.9-172.4138.2145.6-2.8110.3Q446 L450Q446-R448 PolarHBondContact O-N 3.22Å; Q446-R448 VanDerWaalsContact O-N 3.12Å; R448-L450 PolarHBondContact O-N 3.32Å
449F29.4Very low30.7Very low170 Ų170145.9 Ų145.975%0.74678%0.781SS**  trans-62.2127.7164.1-85.2-101.1000109.9
450L33.3Very low31Very low168 Ų168154.3 Ų154.388%0.8880%0.801SS**  trans-96.1108.2162.5-76.4171.6000108.5R448R448-L450 PolarHBondContact O-N 3.32Å
451H28.3Very low31.3Very low173 Ų173155.6 Ų155.680%0.80180%0.803SS**  trans-71.5131.4167.8-92.2-97.1000110.1
452I31.6Very low31.3Very low165 Ų165155 Ų15585%0.84681%0.808SS**  trans-108.7127.2159.5-62.8179.4000107.1
453S30.4Very low31.2Very low121 Ų121152.6 Ų152.685%0.84680%0.803SS**  trans-78.3136.3-172-51.10000112.7
454G28.1Very low31.5Very low70 Ų70153.3 Ų153.372%0.72281%0.809SS**  trans-143.689175.200000112.2
455T32.6Very low31.5Very low139 Ų139149.3 Ų149.385%0.85381%0.812SS**  trans16.9108.7159.6550000120.5
456E30.7Very low31.6Very low163 Ų163148.5 Ų148.576%0.76282%0.817SS**  trans22.7120132.5-131.4-179.8159.700120.8
457S31.6Very low32.1Very low122 Ų122146.5 Ų146.585%0.85382%0.818SS**  -151.9146.4129.9-1700000109.7
458R31.9Very low31.9Very low200 Ų200148.1 Ų148.176%0.75583%0.825SS**  trans-110.6136-174-64.715679.1152.10.2109.2
459D32.7Very low31.9Very low171 Ų171142.7 Ų142.791%0.91482%0.818SS**  trans-158.6157.6132.9-109.3-29.2000112.2
460R35.3Very low32Very low235 Ų235142.7 Ų142.789%0.88783%0.825SS**  trans-116.5148.5-171.6-69178.1161.1-159.8-5.3111.6
461V35.1Very low31.9Very low149 Ų149143.2 Ų143.290%0.90382%0.823SS**  trans-157147.5136.8152.50000109.4
462D32.8Very low32.3Very low167 Ų167140.3 Ų140.389%0.89382%0.819SS**  trans-74.5168.3-177.1-91.9-58.4000116
463G29.3Very low32.4Very low65 Ų65143.9 Ų143.967%0.6782%0.822SS**  trans168.941.3163.700000122.4
464S32.8Very low32.5Very low129 Ų129145.4 Ų145.490%0.90282%0.821SS**  trans34.2127.7153.463.60000122.9
465G31.3Very low33Very low79 Ų79147.5 Ų147.581%0.81483%0.825SS**  trans154.299153.900000115.9
466S33.4Very low33.1Very low122 Ų122146.5 Ų146.585%0.85381%0.814SS**  trans-89.2-178.1-178.3-42.10000112.7
467P41.4Very low33.4Very low112 Ų112142.9 Ų142.973%0.72781%0.812SS**  -119.6-176.4-10535.8-17000113.3
468L28.3Very low33.6Very low156 Ų156144.1 Ų144.182%0.81780%0.804SS**  171.2138.3124.1-90.7167.6000113.5
469V28.7Very low33.7Very low121 Ų121140.6 Ų140.673%0.73381%0.809SS**  trans53101.3157.1-170.10000118.7
470L31.9Very low33.9Very low169 Ų169137.5 Ų137.589%0.88580%0.799SS**  trans-129.9124.8146.8-74.6173.3000108.1
471E32.7Very low34Very low179 Ų179133.6 Ų133.684%0.83679%0.794SS**  trans-70.1137.4171.2-72.3-162.2135.600110.8R473E471-R473 PolarHBondContact O-N 3.5Å
472P35.3Very low34.1Very low113 Ų113132.5 Ų132.573%0.73479%0.788SS**  trans-70.1124.1169.3-1530.2000110.6D474P472-D474 PolarHBondContact O-N 2.86Å
473R33.3Very low34.2Very low239 Ų239130.6 Ų130.690%0.90278%0.782SS**  trans-76.4102.6164-72.4-176174.7-138.30.1109.4E471 S475E471-R473 PolarHBondContact O-N 3.5Å; R473-S475 VanDerWaalsContact C-N 3.33Å; R473-S475 PolarHBondContact O-N 3.46Å
474D33.9Very low34.6Very low153 Ų153133.7 Ų133.782%0.81879%0.788SS**  trans-73.588.9165.6-76.1-30.8000109.9P472 N476P472-D474 PolarHBondContact O-N 2.86Å; D474-N476 PolarHBondContact O-N 2.86Å
475S38.9Very low34.5Very low115 Ų115130.3 Ų130.380%0.80477%0.774SS**  trans-75.869.1175.560.80000111.4R473 A477R473-S475 VanDerWaalsContact C-N 3.33Å; R473-S475 PolarHBondContact O-N 3.46Å; S475-A477 PolarHBondContact O-N 3.3Å
476N34.5Very low35.5Very low117 Ų117136.8 Ų136.863%0.62678%0.78SS**  trans-77.698169.7-159.734.3000109.3D474 H478D474-N476 PolarHBondContact O-N 2.86Å; N476-H478 VanDerWaalsContact C-N 3.3Å; N476-H478 PolarHBondContact ND2-CE1 2.92Å; N476-H478 PolarHBondContact ND2-NE2 3.29Å; N476-H478 PolarHBondContact O-CD2 3.36Å; N476-H478 PolarHBondContact O-N 2.84Å
477A36.7Very low35.6Very low88 Ų88139 Ų13973%0.72778%0.777SS**  trans-71.782.3-178.700000111.3S475 C479S475-A477 PolarHBondContact O-N 3.3Å; A477-C479 PolarHBondContact O-N 3.12Å; A477-C479 VanDerWaalsContact O-N 3.11Å
478H35.8Very low35.1Very low148 Ų148141.3 Ų141.369%0.68578%0.783SS**  trans-68.8101.7167.7-70.7-85.4000109.5N476 C480N476-H478 VanDerWaalsContact C-N 3.3Å; N476-H478 PolarHBondContact ND2-CE1 2.92Å; N476-H478 PolarHBondContact ND2-NE2 3.29Å; N476-H478 PolarHBondContact O-CD2 3.36Å; N476-H478 PolarHBondContact O-N 2.84Å; H478-C480 VanDerWaalsContact C-N 3.26Å; H478-C480 PolarHBondContact O-N 3.35Å
479C33.9Very low35.3Very low126 Ų126141.9 Ų141.985%0.85178%0.781SS**  trans-70.881.8168.8-64.80000110.3A477A477-C479 PolarHBondContact O-N 3.12Å; A477-C479 VanDerWaalsContact O-N 3.11Å
480C36Very low35.3Very low105 Ų105144 Ų14471%0.70979%0.788SS**  trans-78.7118167.743.10000110H478 T482H478-C480 VanDerWaalsContact C-N 3.26Å; H478-C480 PolarHBondContact O-N 3.35Å; C480-T482 PolarHBondContact O-N 3.39Å
481I38.7Very low35.2Very low153 Ų153139.9 Ų139.979%0.78578%0.779SS**  trans-86.8101.9166.8-60175.5000106.7V483I481-V483 HydrophobicContact CG2-CG2 4.26Å; I481-V483 PolarHBondContact O-N 3.26Å
482T36.1Very low35Very low126 Ų126137.5 Ų137.577%0.77378%0.782SS**  trans-78104.5167.723.20000109.4C480C480-T482 PolarHBondContact O-N 3.39Å
483V34.3Very low34.9Very low128 Ų128137.8 Ų137.878%0.77679%0.787SS**  trans-83.8108.9159.8-179.20000106.4I481 G485I481-V483 HydrophobicContact CG2-CG2 4.26Å; I481-V483 PolarHBondContact O-N 3.26Å; V483-G485 PolarHBondContact O-N 3.07Å
484T38.3Very low34.4Very low129 Ų129132.1 Ų132.179%0.79178%0.784SS**  trans-70.4107170.348.80000108.4
485G31.8Very low34Very low58 Ų58129.5 Ų129.560%0.59878%0.777SS**  trans-66.3151.217200000111.6V483V483-G485 PolarHBondContact O-N 3.07Å
486F51Low33.3Very low216 Ų216131.3 Ų131.395%0.94778%0.775SS**  trans-85.5125.8157.9-86.3-103.7000107.5
487E35.5Very low32.9Very low169 Ų169132.3 Ų132.379%0.7978%0.781SS**  trans-139.1134.3173.3-62.1177.7158.900103.3
488D32.3Very low32.3Very low159 Ų159132.9 Ų132.985%0.8578%0.779SS**  cis-132.7169.720.5-72.9-65.5000114.5
489E32.3Very low31.8Very low169 Ų169130.3 Ų130.379%0.7978%0.777SS**  trans-60163.7165.7-55.5-85.8125.100110.9
490D28.5Very low31.5Very low164 Ų164132.7 Ų132.788%0.87778%0.775SS**  -159.1157.976.6-94.5-38.3000113.7
491A29.1Very low31Very low84 Ų84132.6 Ų132.669%0.69478%0.782SS**  trans-74.3153.9-177.100000114.3
492S27.7Very low30.6Very low128 Ų128130.7 Ų130.790%0.89578%0.782SS**  174.9143.6114.6-77.90000113.4
493S33.4Very low30.6Very low119 Ų119131 Ų13183%0.83279%0.786SS**  trans-101.3130.8-178.549.90000113.2
494S23.8Very low30.2Very low121 Ų121128.5 Ų128.585%0.84679%0.787SS**  trans-172.6161.115359.30000108.3
495S24.6Very low29.8Very low97 Ų97130.2 Ų130.268%0.67879%0.79SS**  cis174.3139.3-24.7-178.60000104.6
496M25.8Very low29.5Very low154 Ų154133.1 Ų133.176%0.75980%0.801SS**  trans68144.7156-76-177.388.700122.7
497N25.9Very low28.5Very low138 Ų138131.3 Ų131.374%0.73879%0.793SS**  trans76.1141.1154-58.5-24.5000116.3
498S23.6Very low27.9Very low100 Ų100135.1 Ų135.170%0.69980%0.8SS**  cis160.3145.210.21660000103.6
499C25.9Very low27.6Very low93 Ų93133.7 Ų133.763%0.62880%0.797SS**  cis-172.3178.5-1.9-111.80000110.9
500H26.7Very low28.2Very low176 Ų176131.4 Ų131.482%0.81580%0.797SS**  trans67.5118.2151.9-55.7-36.9000121.3
501A26.6Very low27.9Very low103 Ų103127.9 Ų127.985%0.85179%0.79SS**  -156.3123.2104.800000111.7
502S29.3Very low27.7Very low113 Ų113132.2 Ų132.279%0.7980%0.797SS**  trans-120.5156.3166-52.60000108.9
503P36Very low27.6Very low133 Ų133133 Ų13386%0.86479%0.79SS**  -140.1145.4103.832.5-17.1000111.9
504G26.7Very low27.2Very low76 Ų76132.4 Ų132.478%0.78479%0.785SS**  101.1144.269.400000109.1
505L29.6Very low27.4Very low165 Ų165133.5 Ų133.586%0.86478%0.781SS**  cis-168.9137.68.3172.975.3000109.1
506S26.1Very low27.6Very low119 Ų119135.2 Ų135.283%0.83278%0.782SS**  trans-171.7147.8136.8-162.20000111.8
507K28.9Very low27.8Very low178 Ų178134.3 Ų134.377%0.77478%0.781SS**  trans-132148.5-176.9-65.4177.2176.5179.30110.7
508R23.6Very low28.2Very low248 Ų248139.6 Ų139.694%0.93679%0.79SS**  trans-168.4168.9131.7-107.5171.4-174.9-157.10.6112.2
509T25Very low28.7Very low130 Ų130143.1 Ų143.180%0.79880%0.796SS**  trans-121.6-156.3-148.554.80000112.6
510P44.6Very low29.3Very low120 Ų120148.2 Ų148.278%0.77981%0.81SS**  -125.7172-116.737.1-16.3000116
511A23.3Very low29.5Very low90 Ų90145.5 Ų145.574%0.74481%0.806SS**  trans-175151.9148.700000113.3
512E24.1Very low30.1Very low176 Ų176148 Ų14882%0.82281%0.805SS**  trans1.1144.4152.3-60.1171.8118.100119.3
513L25.5Very low30.7Very low144 Ų144147.8 Ų147.875%0.75480%0.803SS**  -174.1166.354.1-161.275000111.4
514C26.4Very low30.6Very low107 Ų107150.1 Ų150.172%0.72380%0.8SS**  trans76.5105.9160.4-74.30000121.3
515N27.5Very low31.2Very low143 Ų143155.2 Ų155.277%0.76580%0.804SS**  -10.3153.4124.3-49.5-10.6000115.8
516D28.4Very low31.7Very low133 Ų133154.4 Ų154.471%0.71180%0.8SS**  cis-157.9171.845.1-129.3-48.7000116.3
517N30Very low32.8Very low135 Ų135157.5 Ų157.572%0.72280%0.801SS**  trans-65148.2-176.5-61-91.6000113.6
518R33.9Very low33.5Very low249 Ų249156.4 Ų156.494%0.9480%0.799SS**  trans-122.2114.4149.6-69.7-163.686.7-170.15.6110.1
519Q33.9Very low34.9Very low175 Ų175150.6 Ų150.682%0.81879%0.79SS**  trans-67145.1177-78.5156.2-56.800111.8V521Q519-V521 PolarHBondContact O-N 3.13Å
520Q39.2Very low35.4Very low199 Ų199151.5 Ų151.593%0.9379%0.785SS**  trans-61.3121.9161.1-171176.361.700108.4
521V31.3Very low35.3Very low120 Ų120151.7 Ų151.773%0.72779%0.789SS**  trans-132.8127.7170.4-146.20000108.7Q519Q519-V521 PolarHBondContact O-N 3.13Å
522N39.3Very low36.2Very low154 Ų154152 Ų15282%0.82479%0.792SS**  trans-85126.6-178.2-158.85.4000108.2
523S42Very low36.8Very low109 Ų109147.3 Ų147.376%0.76279%0.791SS**  trans-135.697.6179.3-61.50000109.4
524F33.9Very low37.8Very low182 Ų182149.6 Ų149.680%0.79880%0.798SS**  trans-105.2109.9168.6-146-86.6000106.2L526F524-L526 HydrophobicContact CD1-CD2 4.13Å; F524-L526 HydrophobicContact CD1-CG 4.47Å; F524-L526 HydrophobicContact CE1-CD2 4.13Å
525E39.3Very low38.4Very low184 Ų184153.2 Ų153.286%0.8680%0.804SS**  trans-99.6125.5-179-167.3161.6-160.800108.3
526L40.4Very low38.9Very low148 Ų148152.5 Ų152.578%0.77580%0.8SS**  trans-107.9110.8179.6-68.5172.3000108F524 E528F524-L526 HydrophobicContact CD1-CD2 4.13Å; F524-L526 HydrophobicContact CD1-CG 4.47Å; F524-L526 HydrophobicContact CE1-CD2 4.13Å; L526-E528 PolarHBondContact O-N 3.47Å
527E47.5Very low39.2Very low184 Ų184155.2 Ų155.286%0.8681%0.806SS**  trans-75.2121.2172.2-79.5-171.1132.800110.9V529E527-V529 PolarHBondContact O-N 2.8Å
528E43.9Very low39.2Very low155 Ų155152.6 Ų152.672%0.72481%0.811SS**  trans-81102.5175.2-177173.6-168.700110.1L526 H530L526-E528 PolarHBondContact O-N 3.47Å; E528-H530 PolarHBondContact O-N 3.42Å; E528-H530 IonicContact OE1-CE1 3.47Å; E528-H530 PolarHBondContact OE1-CE1 3.49Å; E528-H530 IonicContact OE1-NE2 3.08Å
529V52.5Low39Very low126 Ų126149.8 Ų149.876%0.76481%0.809SS**  trans-9293.2176.4-74.10000111.7E527 S531E527-V529 PolarHBondContact O-N 2.8Å; V529-S531 PolarHBondContact O-N 3.22Å
530H35.4Very low39.8Very low149 Ų149146.2 Ų146.269%0.6980%0.801SS**  trans-65113.9170.8-62-76.4000111E528 A532E528-H530 PolarHBondContact O-N 3.42Å; E528-H530 IonicContact OE1-CE1 3.47Å; E528-H530 PolarHBondContact OE1-CE1 3.49Å; E528-H530 IonicContact OE1-NE2 3.08Å; H530-A532 PolarHBondContact O-N 3.08Å
531S43.6Very low39.3Very low124 Ų124145.5 Ų145.587%0.86780%0.797SS**  trans-83.189167.6-65.10000109.9V529V529-S531 PolarHBondContact O-N 3.22Å
532A41.4Very low39.2Very low97 Ų97144 Ų14480%0.80280%0.797SS**  trans-76.7123.6162.500000108.7H530H530-A532 PolarHBondContact O-N 3.08Å
533G38.1Very low38.7Very low77 Ų77142.2 Ų142.279%0.79480%0.797SS**  trans-95.6142.8170.400000110.5
534E44.8Very low38Very low192 Ų192143.2 Ų143.290%0.89780%0.798SS**  trans-158.4165.8152.754.1-167.9148.200109.7
535E39.2Very low37.8Very low183 Ų183140.3 Ų140.386%0.85580%0.796SS**  trans-128.3139-154.658-152.5126.900113.1
536D38.2Very low37.3Very low127 Ų127137.8 Ų137.868%0.67979%0.793SS**  trans80.6151.9149.7-130.7-14.4000122.5
537F34.6Very low36.6Very low190 Ų190135.3 Ų135.383%0.83379%0.788SS**  trans43.7127.8164.9-61.5-60.8000123.3
538G31.1Very low35.8Very low81 Ų81131.2 Ų131.284%0.83578%0.779SS**  trans134.7108.9134.900000118.6
539Q30.2Very low35.1Very low190 Ų190131.4 Ų131.489%0.88879%0.785SS**  trans-101170.8154.2-110-168.7-24.900108.8
540P50.1Low34.1Very low100 Ų100129.6 Ų129.665%0.64978%0.777SS**  cis-141.2-170.6-11.527.7-2000115.3
541E28.9Very low34Very low184 Ų184132.6 Ų132.686%0.8678%0.783SS**  trans99.5148.6148.8-56.8-142.8161.300123.8
542A28.9Very low33.4Very low87 Ų87136.2 Ų136.272%0.71978%0.783SS**  trans84.583.6152.600000122.2
543S27.9Very low33.1Very low118 Ų118139.2 Ų139.283%0.82578%0.78SS**  43.2129.2116.9-52.50000122.2
544T27.6Very low32.8Very low129 Ų129140.4 Ų140.479%0.79178%0.776SS**  176.8112.6111.8-74.50000114.8
545V29.6Very low32.2Very low122 Ų122141.4 Ų141.474%0.73977%0.772SS**  trans44.3109.4138.2-169.80000119.4
546T29.6Very low32.1Very low131 Ų131142.4 Ų142.480%0.80477%0.773SS**  -174.5161.899.928.60000110
547S26.5Very low31.8Very low95 Ų95139.9 Ų139.966%0.66478%0.777SS**  cis-171.2137.3-24.852.30000111.9
548S28.9Very low31.8Very low98 Ų98139.6 Ų139.669%0.68578%0.778SS**  trans50.3119.5150.365.40000120.3
549L30.1Very low32.5Very low160 Ų160142.1 Ų142.184%0.83878%0.777SS**  180170.566.3-103.4133.2000109.1
550S30.9Very low33Very low87 Ų87139.1 Ų139.161%0.60877%0.771SS**  cis-154.1123.90.7-167.20000113.9
551R32.9Very low32.5Very low212 Ų212145.5 Ų145.580%0.878%0.783SS**  trans40.8111.1136.7-163173.375.9-173.37.2121.8
552K32.7Very low33Very low201 Ų201140.4 Ų140.487%0.87478%0.779SS**  -160.1136.2111.6-111.5174.7-178.7179.80113.9
553H33.5Very low33.4Very low160 Ų160143.3 Ų143.374%0.74178%0.782SS**  trans-77.7166.6172.6-71.2-119.4000110.1
554S31.9Very low34Very low102 Ų102143 Ų14371%0.71378%0.78SS**  cis-158.8135.237.7179.10000109.9
555R33.7Very low34.7Very low213 Ų213143 Ų14380%0.80478%0.78SS**  34.9136.295.1-55.6-175.6177.6-162.8-2.5113.7
556K36.8Very low35.5Very low204 Ų204145 Ų14589%0.88778%0.781SS**  cis-165.3149.528.5-149.3176.9178.5-170.20104.8
557G31.8Very low36.1Very low73 Ų73144.5 Ų144.575%0.75378%0.783SS**  cis113.4105.823.400000109.1
558E35.2Very low37.1Very low185 Ų185146.3 Ų146.386%0.86479%0.785SS**  trans-144.7147.5172.4-170.1158-170.900111.1
559V44.2Very low37.9Very low133 Ų133147.8 Ų147.881%0.80680%0.795SS**  trans-134.2124.5-172.9172.50000108.1
560V40.5Very low38.8Very low127 Ų127145.8 Ų145.877%0.7780%0.795SS**  trans-138.5130169.3174.30000110.1
561R40.5Very low39.4Very low235 Ų235145.4 Ų145.489%0.88780%0.804SS**  trans-80.4153.1167.2-70.3174.9173159.8-5.1110.1
562G38.7Very low39.5Very low76 Ų76145.1 Ų145.178%0.78481%0.805SS**  trans-164.5116.1163.900000111.1
563D37.5Very low40.4Very low148 Ų148140 Ų14079%0.79180%0.8SS**  trans-81.6-173.4178.8-52.2-69.5000112.1
564S40.4Very low40.7Very low111 Ų111139 Ų13978%0.77680%0.8SS**  trans81.8144.7160.6-52.90000117.3
565V44Very low41.7Very low129 Ų129143.1 Ų143.178%0.78281%0.808SS**  cis-155.3171.3-18-990000107.7
566Q45.5Very low42.1Very low164 Ų164139.8 Ų139.877%0.76680%0.802SS**  trans-50.8152165.8-63.2166.7-104.200112.5
567S42.4Very low42.2Very low122 Ų122134 Ų13485%0.85380%0.8SS**  trans-148.2118.8161-75.40000109.7
568D47.6Very low42.5Very low133 Ų133137 Ų13771%0.71179%0.792SS**  trans-103.8142.4-176.7-21.5-57.2000107.8
569S45.9Very low42.6Very low128 Ų128134.7 Ų134.790%0.89579%0.786SS**  trans-149108.2165.9-84.60000112.2
570S48.6Very low42Very low119 Ų119135.8 Ų135.883%0.83279%0.787SS**  trans-73.4152.3160.6-175.70000109.9
571G44.1Very low42.1Very low78 Ų78138.2 Ų138.280%0.80479%0.788SS**  trans-16164.3-17800000112.3
572Y34.8Very low41.8Very low207 Ų207134.3 Ų134.381%0.81278%0.784SS**  trans-77.4142.6164.5-115.8-104.7000109.5
573A50Low42Very low92 Ų92135 Ų13576%0.7678%0.778SS**  trans-133.5101.7168.200000109.1
574D40Very low42.3Very low141 Ų141138.9 Ų138.975%0.75478%0.783SS**  trans-86.5130.4162.7-79.8-50.5000108.5
575E53.3Low42.8Very low188 Ų188143.1 Ų143.188%0.87979%0.787SS**  trans-117.1101.3170.1-82.6-66.9166.400109.6G577E575-G577 PolarHBondContact O-N 3.37Å
576E43.3Very low42.9Very low143 Ų143146.2 Ų146.267%0.66879%0.79SS**  trans-94.888.3-176.1-165.7-162.1-169.700111.2K578E576-K578 PolarHBondContact O-N 3.33Å; E576-K578 IonicContact OE1-NZ 2.77Å; E576-K578 PolarHBondContact OE1-NZ 3.37Å; E576-K578 IonicContact OE2-NZ 2.59Å; E576-K578 PolarHBondContact OE2-NZ 3.18Å
577G38.6Very low42.9Very low83 Ų83147.6 Ų147.686%0.85682%0.816SS**  trans-74.587.9176.900000113.9E575E575-G577 PolarHBondContact O-N 3.37Å
578K38.4Very low42.9Very low135 Ų135148.9 Ų148.959%0.58781%0.814SS**  trans-73.4136.1176.4-80-179.8166.6680113.8E576E576-K578 PolarHBondContact O-N 3.33Å; E576-K578 IonicContact OE1-NZ 2.77Å; E576-K578 PolarHBondContact OE1-NZ 3.37Å; E576-K578 IonicContact OE2-NZ 2.59Å; E576-K578 PolarHBondContact OE2-NZ 3.18Å
579N36.3Very low42.6Very low136 Ų136149.7 Ų149.773%0.72782%0.819SS**  trans61.4119.9148.3-57.3-17.7000120
580N32.8Very low42.4Very low156 Ų156150.9 Ų150.983%0.83482%0.815SS**  -162.1155100.1-108.3-30.6000116.3
581F40.7Very low42.1Very low179 Ų179152.8 Ų152.879%0.78581%0.814SS**  trans-39.1137.7172.9-85.9-117.9000115.7
582N35Very low42Very low152 Ų152157.5 Ų157.581%0.81382%0.815SS**  -159.2135.2107-102.8-37.6000113.4
583S43.4Very low42.4Very low92 Ų92154.2 Ų154.264%0.64382%0.815SS**  trans-69150.1161.1-68.30000109.6
584Y43.7Very low41.9Very low228 Ų228158.6 Ų158.689%0.89482%0.819SS**  -161.2129.7123.6-91.6-61.4000111.3
585K51.3Low42.1Very low200 Ų200160 Ų16087%0.8782%0.824SS**  trans-69.7148.5165.6-64.8170.7172.5175.60109.9
586K45.7Very low41.1Very low195 Ų195157.7 Ų157.785%0.84882%0.819SS**  -171.4140.7113.7-113177.6175.8177.20114.3
587C44.1Very low40.9Very low193 Ų193159 Ų159100%1.30483%0.833SS**  trans58.90156-630000117.1

Retrieved 587 of 587 residues in 93.5 ms (Link to these results)