A0A087X8W4_POEFO Loading...

Transmembrane protein 268

AlphaFold DB , UniProt , Accession A0A087X8W4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 356 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
1F32.4Very low32.7Very low258 Ų258163.2 Ų163.2100%1.13285%0.848SS**  096.90-86.2-87.5000107.6
2D33.9Very low32.8Very low147 Ų147166.3 Ų166.379%0.78686%0.856SS**  trans42.8127.1141.6-78.9-13.4000124.6
3L35Very low32.7Very low133 Ų133161 Ų16170%0.69685%0.852SS**  trans93.9127.2133.4-93103.7000123.2
4M36.2Very low32.7Very low165 Ų165157 Ų15781%0.81384%0.843SS**  trans85.191.4145.8-66.2-173.1174.200121.5
5E37.3Very low33.1Very low177 Ų177158.7 Ų158.783%0.82784%0.844SS**  17.9125.3109.9-139162.216100119.2
6D31.8Very low33.4Very low169 Ų169160.1 Ų160.190%0.90484%0.844SS**  trans-142124.5152.4-142.5-6.9000109.9
7R34.2Very low33.9Very low213 Ų213156.9 Ų156.980%0.80483%0.833SS**  trans-122.3108-172.7-176.2177.8168.4-178.1-4.3108.3
8N29Very low34.3Very low172 Ų172151.6 Ų151.692%0.9282%0.815SS**  trans-73132.2166.4-153.627.8000108.8
9G29.8Very low34.8Very low66 Ų66148.3 Ų148.368%0.6880%0.8SS**  trans-147.9121.5-178.900000111.8
10D34.3Very low35Very low160 Ų160146.8 Ų146.886%0.85679%0.792SS**  trans-50.1157.2179.7-70.6-49.2000116.4
11C26.4Very low35.3Very low135 Ų135142.8 Ų142.891%0.91278%0.775SS**  trans-162.1107.8132.3-95.30000111.3
12Q33.7Very low35.8Very low201 Ų201136.9 Ų136.994%0.93975%0.751SS**  trans-73.4125.4156.3-82.8177.2-36.400109.4
13A31.5Very low36.4Very low97 Ų97133.9 Ų133.980%0.80273%0.734SS**  trans-173.8141147.600000111.2
14S33Very low36.7Very low105 Ų105136.7 Ų136.773%0.73474%0.735SS**  trans83.977.8167.8-65.90000118.6
15E38.2Very low37.1Very low183 Ų183135 Ų13586%0.85573%0.725SS**  trans-111.11.6155.7-82.1-173.7144.600113.6
16E38.1Very low37.4Very low180 Ų180130.7 Ų130.784%0.84171%0.711SS**SBendtrans-90.30.8-174.3-70.6-171.7159.100115.6
17T40.9Very low37.9Very low107 Ų107128.4 Ų128.466%0.65670%0.695SS**SBendtrans-107.3-7.9-177.437.30000115.7S21T17-S21 PolarHBondContact O-OG 3Å
18A41.3Very low38.1Very low61 Ų61122 Ų12250%0.50468%0.679SS.*Hα-helixtrans-86.8-31.9-178.900000113.4S21 E22A18-S21 WeakPolarHBondContact CA-OG 3.48Å; A18-S21 PolarHBondContact O-OG 3.14Å; A18-S21 VanDerWaalsContact O-OG 3.09Å; A18-E22 PolarHBondContact O-N 3.1Å
19V44Very low38.6Very low88 Ų88118.4 Ų118.453%0.53366%0.66SS.*Hα-helixtrans-76.5-35.9-175.7-173.80000111.6S21 E22 I23V19-S21 VanDerWaalsContact C-N 3.34Å; V19-S21 PolarHBondContact O-N 3.3Å; V19-E22 PolarHBondContact O-N 3.27Å; V19-I23 HydrophobicContact CG1-CD1 3.96Å; V19-I23 VanDerWaalsContact O-CG1 3.28Å; V19-I23 WeakPolarHBondContact O-CG1 3.27Å; V19-I23 PolarHBondContact O-N 3.42Å; V19-I23 VanDerWaalsContact O-N 3.1Å
20D39.3Very low39Very low119 Ų119122.3 Ų122.364%0.63666%0.661SS**Hα-helixtrans-73.1-25.5177-88.1-10.6000113.3R24D20-R24 VanDerWaalsContact O-CB 3.27Å; D20-R24 WeakPolarHBondContact O-CB 3.29Å; D20-R24 PolarHBondContact O-N 2.6Å; D20-R24 VanDerWaalsContact O-N 3.14Å
21S41.3Very low39.1Very low62 Ų62122.1 Ų122.143%0.43466%0.655SS.*Hα-helixtrans-77.7-35.317635.30000111.9T17 A18 V19 Q25T17-S21 PolarHBondContact O-OG 3Å; A18-S21 WeakPolarHBondContact CA-OG 3.48Å; A18-S21 PolarHBondContact O-OG 3.14Å; A18-S21 VanDerWaalsContact O-OG 3.09Å; V19-S21 VanDerWaalsContact C-N 3.34Å; V19-S21 PolarHBondContact O-N 3.3Å; S21-Q25 WeakPolarHBondContact O-CB 3.17Å; S21-Q25 PolarHBondContact O-N 3.12Å
22E43.2Very low39.4Very low135 Ų135120.2 Ų120.263%0.63164%0.639SS**Hα-helixtrans-70-38.2171.8-91.3-174.4145.900113.2A18 V19 R24 Q25 T26A18-E22 PolarHBondContact O-N 3.1Å; V19-E22 PolarHBondContact O-N 3.27Å; E22-R24 VanDerWaalsContact C-N 3.33Å; E22-Q25 PolarHBondContact O-N 3.05Å; E22-T26 WeakPolarHBondContact O-CB 3.17Å; E22-T26 WeakPolarHBondContact O-CG2 3.3Å; E22-T26 PolarHBondContact O-N 3.19Å; E22-T26 PolarHBondContact O-OG1 2.9Å
23I45.5Very low39.6Very low83 Ų83115.3 Ų115.343%0.42662%0.619SS.*Hα-helixtrans-68-36175.9-65.3168.1000110.7V19 T26 Q27V19-I23 HydrophobicContact CG1-CD1 3.96Å; V19-I23 VanDerWaalsContact O-CG1 3.28Å; V19-I23 WeakPolarHBondContact O-CG1 3.27Å; V19-I23 PolarHBondContact O-N 3.42Å; V19-I23 VanDerWaalsContact O-N 3.1Å; I23-T26 WeakPolarHBondContact CA-OG1 3.46Å; I23-T26 PolarHBondContact O-OG1 3.42Å; I23-T26 VanDerWaalsContact O-OG1 3.12Å; I23-Q27 WeakPolarHBondContact O-CB 3.5Å; I23-Q27 PolarHBondContact O-N 2.97Å
24R41.8Very low39.8Very low193 Ų193117.2 Ų117.273%0.72862%0.616SS**Hα-helixtrans-74.4-34.2176.8-154.4174-166.4179.84.3112.4D20 E22 T28D20-R24 VanDerWaalsContact O-CB 3.27Å; D20-R24 WeakPolarHBondContact O-CB 3.29Å; D20-R24 PolarHBondContact O-N 2.6Å; D20-R24 VanDerWaalsContact O-N 3.14Å; E22-R24 VanDerWaalsContact C-N 3.33Å; R24-T28 WeakPolarHBondContact O-CB 3.22Å; R24-T28 PolarHBondContact O-N 3.19Å; R24-T28 PolarHBondContact O-OG1 3.39Å
25Q45.5Very low40Very low129 Ų129120 Ų12060%0.60362%0.622SS**Hα-helixtrans-68.6-42.7172.2-112.3166.6-12.900111.9S21 E22 Q27 T28 D29S21-Q25 WeakPolarHBondContact O-CB 3.17Å; S21-Q25 PolarHBondContact O-N 3.12Å; E22-Q25 PolarHBondContact O-N 3.05Å; Q25-Q27 PolarHBondContact O-N 2.75Å; Q25-T28 PolarHBondContact O-N 2.88Å; Q25-D29 WeakPolarHBondContact O-CB 3.46Å; Q25-D29 PolarHBondContact O-N 3.17Å
26T42.5Very low40.4Very low86 Ų86121 Ų12153%0.52862%0.618SS.*Hα-helixtrans-68.8-33177.146.40000113.3E22 I23 Q30E22-T26 WeakPolarHBondContact O-CB 3.17Å; E22-T26 WeakPolarHBondContact O-CG2 3.3Å; E22-T26 PolarHBondContact O-N 3.19Å; E22-T26 PolarHBondContact O-OG1 2.9Å; I23-T26 WeakPolarHBondContact CA-OG1 3.46Å; I23-T26 PolarHBondContact O-OG1 3.42Å; I23-T26 VanDerWaalsContact O-OG1 3.12Å; T26-Q30 WeakPolarHBondContact O-CB 3.41Å; T26-Q30 PolarHBondContact O-N 3.31Å
27Q42.7Very low41.5Very low122 Ų122115.8 Ų115.857%0.5760%0.602SS**Hα-helixtrans-71.8-37.1170-83.4-175.8-6.500113I23 Q25 D29 Q30 Q31I23-Q27 WeakPolarHBondContact O-CB 3.5Å; I23-Q27 PolarHBondContact O-N 2.97Å; Q25-Q27 PolarHBondContact O-N 2.75Å; Q27-D29 VanDerWaalsContact C-N 3.34Å; Q27-Q30 PolarHBondContact O-N 2.59Å; Q27-Q31 VanDerWaalsContact O-CB 3.29Å; Q27-Q31 WeakPolarHBondContact O-CB 3.22Å; Q27-Q31 PolarHBondContact O-N 2.65Å
28T39.1Very low43.4Very low78 Ų78118.4 Ų118.448%0.47960%0.6SS.*Hα-helixtrans-71.2-31.4177.7-46.40000111.5R24 Q25 T32R24-T28 WeakPolarHBondContact O-CB 3.22Å; R24-T28 PolarHBondContact O-N 3.19Å; R24-T28 PolarHBondContact O-OG1 3.39Å; Q25-T28 PolarHBondContact O-N 2.88Å; T28-T32 WeakPolarHBondContact O-CB 3.25Å; T28-T32 WeakPolarHBondContact O-CG2 3.48Å; T28-T32 PolarHBondContact O-N 2.95Å; T28-T32 VanDerWaalsContact O-N 3.12Å; T28-T32 PolarHBondContact O-OG1 3.42Å
29D37.8Very low45.5Very low97 Ų97117.4 Ų117.452%0.51958%0.583SS.*Hα-helixtrans-79.3-25.5174.6-73.9-19000113.6Q25 Q27 N33Q25-D29 WeakPolarHBondContact O-CB 3.46Å; Q25-D29 PolarHBondContact O-N 3.17Å; Q27-D29 VanDerWaalsContact C-N 3.34Å; D29-N33 PolarHBondContact O-ND2 3.26Å
30Q38.2Very low47.6Very low147 Ų147115.7 Ų115.769%0.68757%0.573SS**Hα-helixtrans-75.1-36.8167.7-95.6-179.87.300112.1T26 Q27 N33T26-Q30 WeakPolarHBondContact O-CB 3.41Å; T26-Q30 PolarHBondContact O-N 3.31Å; Q27-Q30 PolarHBondContact O-N 2.59Å; Q30-N33 PolarHBondContact O-N 3.3Å
31Q36.3Very low50Low157 Ų157110.9 Ų110.973%0.73455%0.547SS*.Hα-helixtrans-79.9-21.1-176.2-160.7158.3-23.500113.4Q27Q27-Q31 VanDerWaalsContact O-CB 3.29Å; Q27-Q31 WeakPolarHBondContact O-CB 3.22Å; Q27-Q31 PolarHBondContact O-N 2.65Å
32T34.2Very low52.1Low95 Ų95108 Ų10858%0.58353%0.527SS*.Hα-helixtrans-86.9-15172.446.40000114.1T28T28-T32 WeakPolarHBondContact O-CB 3.25Å; T28-T32 WeakPolarHBondContact O-CG2 3.48Å; T28-T32 PolarHBondContact O-N 2.95Å; T28-T32 VanDerWaalsContact O-N 3.12Å; T28-T32 PolarHBondContact O-OG1 3.42Å
33N37.5Very low54.3Low98 Ų98104.7 Ų104.752%0.52451%0.511SS..G310 helixtrans-86.3-9179-90.6-46.8000115D29 Q30 N35 R36D29-N33 PolarHBondContact O-ND2 3.26Å; Q30-N33 PolarHBondContact O-N 3.3Å; N33-N35 PolarHBondContact O-N 3.39Å; N33-N35 VanDerWaalsContact O-N 3.17Å; N33-R36 PolarHBondContact O-N 2.93Å
34N35.3Very low56.5Low136 Ų136103.3 Ų103.373%0.72751%0.509SS*.G310 helixtrans-70.6-7.7-179.9-77.4-15.1000114.6
35N37.9Very low58.8Low163 Ų16394.7 Ų94.787%0.87248%0.478SS*.G310 helixtrans-105.87.4177.9-82.8-15.1000114.4N33 S37N33-N35 PolarHBondContact O-N 3.39Å; N33-N35 VanDerWaalsContact O-N 3.17Å; N35-S37 PolarHBondContact O-N 3.24Å
36R47.2Very low60.9Low204 Ų20488.7 Ų88.777%0.7745%0.45SS*.SBendtrans-77.2121.5170.8-149.3175-162.2179.85.9107.7N33 R38N33-R36 PolarHBondContact O-N 2.93Å; R36-R38 PolarHBondContact O-N 3.25Å; R36-R38 VanDerWaalsContact O-N 3.08Å
37S60Low63.2Low72 Ų7286 Ų8650%0.50344%0.436SS..  trans-48.4122.3174.756.70000109.1N35 W39N35-S37 PolarHBondContact O-N 3.24Å; S37-W39 PolarHBondContact O-N 2.91Å; S37-W39 PolarHBondContact OG-O 3.11Å
38R81.5Confident65.4Low161 Ų16180.2 Ų80.261%0.60841%0.409SS*.SBendtrans-49.8-25-179.1-169.9170.682.7134.67.7112.9R36 E70R36-R38 PolarHBondContact O-N 3.25Å; R36-R38 VanDerWaalsContact O-N 3.08Å; R38-E70 IonicContact CZ-OE2 3Å; R38-E70 IonicContact NH1-OE2 3.1Å; R38-E70 VanDerWaalsContact NH2-CA 3.31Å; R38-E70 PolarHBondContact NH2-O 3.06Å; R38-E70 IonicContact NH2-OE2 3.9Å; R38-E70 PolarHBondContact NH2-OE2 3.18Å
39W85.5Confident67.6Low40 Ų4079.4 Ų79.415%0.15241%0.405CS..  trans-106.4146.2-175.4-58.9106.7000113.3S37 Q43 V45 E70 F72 Y203S37-W39 PolarHBondContact O-N 2.91Å; S37-W39 PolarHBondContact OG-O 3.11Å; W39-Q43 HydrophobicContact CE3-CB 4.18Å; W39-Q43 HydrophobicContact CZ3-CB 4.48Å; W39-V45 HydrophobicContact CD2-CG2 4.37Å; W39-V45 HydrophobicContact CE3-CG2 4.11Å; W39-V45 HydrophobicContact CH2-CB 4.42Å; W39-V45 HydrophobicContact CH2-CG1 4.18Å; W39-V45 HydrophobicContact CH2-CG2 4.16Å; W39-V45 HydrophobicContact CZ2-CG1 4.19Å; W39-V45 HydrophobicContact CZ2-CG2 4.4Å; W39-V45 HydrophobicContact CZ3-CG2 4Å; W39-E70 HydrophobicContact CH2-CB 4.36Å; W39-E70 HydrophobicContact CH2-CG 4.31Å; W39-E70 VanDerWaalsContact CH2-OE2 3.3Å; W39-E70 WeakPolarHBondContact CH2-OE2 3.4Å; W39-E70 HydrophobicContact CZ2-CB 3.86Å; W39-E70 HydrophobicContact CZ2-CG 4.28Å; W39-E70 VanDerWaalsContact CZ2-OE2 3.25Å; W39-E70 WeakPolarHBondContact CZ2-OE2 3.42Å; W39-F72 AromaticContact CD1-CZ 3.86Å; W39-F72 AromaticContact CE2-CE2 3.82Å; W39-F72 HydrophobicContact CG-CZ 4.5Å; W39-F72 HydrophobicContact CZ2-CE2 4.12Å; W39-F72 AromaticContact NE1-CE2 3.46Å; W39-F72 AromaticContact NE1-CZ 3.7Å; W39-Y203 HydrophobicContact CB-CD1 3.34Å; W39-Y203 HydrophobicContact CB-CD2 3.59Å; W39-Y203 HydrophobicContact CB-CE1 3.62Å; W39-Y203 HydrophobicContact CB-CE2 3.84Å; W39-Y203 HydrophobicContact CB-CG 3.29Å; W39-Y203 HydrophobicContact CG-CD1 4.47Å; W39-Y203 HydrophobicContact CG-CD2 4Å; W39-Y203 HydrophobicContact CG-CE2 4.42Å; W39-Y203 AromaticContact CG-CG 4Å; W39-Y203 HydrophobicContact CG-CG 4Å; W39-Y203 WeakPolarHBondContact O-CE1 3.39Å
40T87.5Confident69.7Low53 Ų5376 Ų7633%0.32539%0.388SS..  trans-120.5148.9172.364.20000110.8G42 Q43 T340T40-G42 PolarHBondContact O-N 3.28Å; T40-Q43 WeakPolarHBondContact O-CB 3.28Å; T40-Q43 WeakPolarHBondContact O-CG 3.42Å; T40-Q43 PolarHBondContact O-N 3.16Å; T40-Q43 VanDerWaalsContact O-N 3.17Å; T40-Q43 WeakPolarHBondContact OG1-CG 3.47Å; T40-Q43 PolarHBondContact OG1-NE2 3.5Å; T40-Q43 PolarHBondContact OG1-OE1 3.48Å; T40-T340 HydrophobicContact CG2-CG2 4.34Å; T40-T340 PolarHBondContact OG1-OG1 3.12Å
41N89.7Confident71.5Confident18 Ų1872.9 Ų72.910%0.09638%0.383CS..THydrogen-bonded Turntrans-57.4125.6-175.5-76.34.2000112.3Y203 W204 D205 H338 C339 T340N41-Y203 WeakPolarHBondContact CA-O 3.33Å; N41-W204 HydrophobicContact CB-CD2 4.25Å; N41-W204 HydrophobicContact CB-CE3 3.97Å; N41-W204 HydrophobicContact CB-CZ3 4.15Å; N41-D205 PolarHBondContact ND2-O 3.02Å; N41-D205 PolarHBondContact OD1-N 2.92Å; N41-H338 WeakPolarHBondContact CB-O 3.35Å; N41-H338 PolarHBondContact ND2-O 3.1Å; N41-C339 PolarHBondContact O-SG 2.71Å; N41-T340 PolarHBondContact O-N 3.14Å; N41-T340 VanDerWaalsContact O-N 3.09Å; N41-T340 PolarHBondContact O-OG1 2.98Å
42G84.9Confident73.1Confident0 Ų067.6 Ų67.60%036%0.363CS..THydrogen-bonded Turntrans98.7-3.8178.500000114.3T40 Y203 T341T40-G42 PolarHBondContact O-N 3.28Å; G42-Y203 PolarHBondContact N-O 3.49Å; G42-T341 PolarHBondContact O-OG1 3.44Å
43Q89.9Confident74.6Confident66 Ų6666 Ų6631%0.30836%0.36SS..  trans-72.4131.7173.6-74179.4-39.600111.2W39 T40 V45 V202 Y203W39-Q43 HydrophobicContact CE3-CB 4.18Å; W39-Q43 HydrophobicContact CZ3-CB 4.48Å; T40-Q43 WeakPolarHBondContact O-CB 3.28Å; T40-Q43 WeakPolarHBondContact O-CG 3.42Å; T40-Q43 PolarHBondContact O-N 3.16Å; T40-Q43 VanDerWaalsContact O-N 3.17Å; T40-Q43 WeakPolarHBondContact OG1-CG 3.47Å; T40-Q43 PolarHBondContact OG1-NE2 3.5Å; T40-Q43 PolarHBondContact OG1-OE1 3.48Å; Q43-V45 PolarHBondContact O-N 3.3Å; Q43-V202 WeakPolarHBondContact O-CA 3.49Å; Q43-V202 WeakPolarHBondContact O-CG1 3.46Å; Q43-Y203 PolarHBondContact O-N 3.16Å
44C90.8Very high75.7Confident55 Ų5568.7 Ų68.737%0.37237%0.373SS..EExtended strand (participates in β ladder)trans-71.9122.4171.6-171.70000109.3M320C44-M320 HydrophobicContact CB-CE 4.04Å; C44-M320 HydrophobicContact CB-SD 3.92Å
45V90.6Very high77.1Confident12 Ų1264.9 Ų64.97%0.07336%0.357CS..EExtended strand (participates in β ladder)trans-91.3-44.1176.4-178.70000109.7W39 Q43 L67 E70 F72 L182 L201W39-V45 HydrophobicContact CD2-CG2 4.37Å; W39-V45 HydrophobicContact CE3-CG2 4.11Å; W39-V45 HydrophobicContact CH2-CB 4.42Å; W39-V45 HydrophobicContact CH2-CG1 4.18Å; W39-V45 HydrophobicContact CH2-CG2 4.16Å; W39-V45 HydrophobicContact CZ2-CG1 4.19Å; W39-V45 HydrophobicContact CZ2-CG2 4.4Å; W39-V45 HydrophobicContact CZ3-CG2 4Å; Q43-V45 PolarHBondContact O-N 3.3Å; V45-L67 HydrophobicContact CG1-CD2 3.8Å; V45-E70 HydrophobicContact CG1-CB 3.75Å; V45-E70 HydrophobicContact CG1-CG 4.07Å; V45-F72 HydrophobicContact CG1-CD2 3.9Å; V45-F72 HydrophobicContact CG1-CE2 3.6Å; V45-F72 HydrophobicContact CG2-CE2 4.12Å; V45-F72 HydrophobicContact CG2-CZ 4.44Å; V45-L182 HydrophobicContact CB-CD2 4.39Å; V45-L182 HydrophobicContact CG2-CD2 3.91Å; V45-L201 PolarHBondContact N-O 3.09Å
46A90.4Very high78.7Confident3 Ų357.2 Ų57.23%0.02532%0.317CS..EExtended strand (participates in β ladder)trans-145140.9178.200000111.6K66 Y200 L201A46-K66 HydrophobicContact CB-CB 4.18Å; A46-K66 HydrophobicContact CB-CD 4.47Å; A46-Y200 WeakPolarHBondContact O-CA 3.46Å; A46-L201 HydrophobicContact CB-CB 4.28Å; A46-L201 HydrophobicContact CB-CD1 4.25Å; A46-L201 PolarHBondContact N-O 2.82Å; A46-L201 PolarHBondContact O-N 3.19Å
47A90.1Very high80.3Confident29 Ų2953.5 Ų53.524%0.2430%0.302CS..EExtended strand (participates in β ladder)trans-124124.7169.200000108.9K66 L199 Y200A47-K66 PolarHBondContact O-NZ 3.1Å; A47-L199 CarbonylContact C-O 3.57Å; A47-L199 WeakPolarHBondContact CA-O 3.44Å; A47-Y200 HydrophobicContact CB-CD1 3.79Å; A47-Y200 HydrophobicContact CB-CE1 3.7Å
48I89.5Confident81.4Confident0 Ų051 Ų510%028%0.283CS..EExtended strand (participates in β ladder)trans-121.4113.9-176.6-53-67.2000108.7F58 L62 C63 K66 Q198 L199I48-F58 HydrophobicContact CG2-CD1 4.5Å; I48-F58 WeakPolarHBondContact O-CD1 3.34Å; I48-L62 HydrophobicContact CD1-CD2 4.31Å; I48-L62 HydrophobicContact CD1-CG 4.01Å; I48-C63 HydrophobicContact CD1-CB 4.09Å; I48-C63 HydrophobicContact CG1-CB 3.85Å; I48-K66 HydrophobicContact CD1-CD 3.8Å; I48-K66 HydrophobicContact CD1-CG 4.49Å; I48-Q198 WeakPolarHBondContact O-CA 3.5Å; I48-L199 HydrophobicContact CB-CB 4.3Å; I48-L199 PolarHBondContact N-O 2.69Å; I48-L199 PolarHBondContact O-N 3.27Å
49P85.9Confident81.6Confident61 Ų6146.7 Ų46.740%0.39627%0.272SS..EExtended strand (participates in β ladder)trans-73.4161.317532-34.4000111.4Q198P49-Q198 HydrophobicContact CB-CG 4.47Å
50T81.6Confident81.6Confident25 Ų2545.6 Ų45.615%0.15327%0.269CS..BIsolated β-bridgetrans-66.2141167.950.70000111.1S52 P56 R57 F58 M97 M197T50-S52 PolarHBondContact O-N 3.49Å; T50-P56 HydrophobicContact CG2-CB 4.01Å; T50-R57 CarbonylContact C-O 3.52Å; T50-R57 WeakPolarHBondContact CA-O 3.44Å; T50-F58 HydrophobicContact CG2-CD1 4.12Å; T50-F58 HydrophobicContact CG2-CE1 3.54Å; T50-F58 HydrophobicContact CG2-CE2 4.37Å; T50-F58 HydrophobicContact CG2-CZ 3.7Å; T50-M97 HydrophobicContact CG2-SD 4.42Å; T50-M197 HydrophobicContact CG2-CB 4.02Å; T50-M197 PolarHBondContact N-O 2.97Å
51S75.4Confident81.6Confident82 Ų8248.2 Ų48.257%0.57328%0.281SS*.SBendtrans-72.3-23.3-175.957.90000114.5R57S51-R57 PolarHBondContact N-O 2.74Å; S51-R57 PolarHBondContact OG-O 2.86Å; S51-R57 VanDerWaalsContact OG-O 3.11Å
52S70.4Confident81.4Confident46 Ų4650.6 Ų50.632%0.32229%0.293SS..  trans-156.4151.7-176.3174.80000112.2T50 L54 S55 P56T50-S52 PolarHBondContact O-N 3.49Å; S52-L54 PolarHBondContact OG-N 2.88Å; S52-S55 PolarHBondContact OG-N 3.03Å; S52-S55 PolarHBondContact OG-OG 3.48Å; S52-P56 WeakPolarHBondContact O-CA 3.48Å
53A64.3Low81.5Confident63 Ų6350.6 Ų50.652%0.52129%0.293SS..SBendtrans-76.7-33.417700000113.3
54L60.3Low81.4Confident153 Ų15350 Ų5080%0.80129%0.288SS*.SBendtrans-94.4-23.6-176.6-66.8171.4000112.8S52S52-L54 PolarHBondContact OG-N 2.88Å
55S65.8Low81.3Confident56 Ų5649.9 Ų49.939%0.39229%0.288SS..SBendtrans-13465176.763.20000110.3S52 R57S52-S55 PolarHBondContact OG-N 3.03Å; S52-S55 PolarHBondContact OG-OG 3.48Å; S55-R57 PolarHBondContact O-N 2.95Å; S55-R57 VanDerWaalsContact O-N 3.14Å
56P71.4Confident81.2Confident3 Ų352.6 Ų52.62%0.01930%0.299CS..  trans-61.9119.3-17625.1-34000110.2T50 S52 M97 V98T50-P56 HydrophobicContact CG2-CB 4.01Å; S52-P56 WeakPolarHBondContact O-CA 3.48Å; P56-M97 HydrophobicContact CB-CB 3.61Å; P56-M97 HydrophobicContact CB-CE 4.33Å; P56-M97 HydrophobicContact CB-CG 4.46Å; P56-M97 HydrophobicContact CB-SD 4.14Å; P56-M97 HydrophobicContact CG-CB 3.27Å; P56-M97 HydrophobicContact CG-CE 4.35Å; P56-M97 HydrophobicContact CG-CG 4.4Å; P56-M97 WeakPolarHBondContact O-CE 3.35Å; P56-V98 HydrophobicContact CG-CG2 3.64Å
57R80.1Confident81.1Confident125 Ų12552.6 Ų52.647%0.47230%0.298SS..  trans-139.5153171.2-73.7-174.2163.8165.9-0.3108.2T50 S51 S55 D89T50-R57 CarbonylContact C-O 3.52Å; T50-R57 WeakPolarHBondContact CA-O 3.44Å; S51-R57 PolarHBondContact N-O 2.74Å; S51-R57 PolarHBondContact OG-O 2.86Å; S51-R57 VanDerWaalsContact OG-O 3.11Å; S55-R57 PolarHBondContact O-N 2.95Å; S55-R57 VanDerWaalsContact O-N 3.14Å; R57-D89 IonicContact NE-OD1 2.93Å
58F83.6Confident81Confident21 Ų2155 Ų559%0.09231%0.305CS..BIsolated β-bridgetrans-93.7135171.3-62.1-75.9000109I48 T50 L60 L88 M97 V186 M197 L199I48-F58 HydrophobicContact CG2-CD1 4.5Å; I48-F58 WeakPolarHBondContact O-CD1 3.34Å; T50-F58 HydrophobicContact CG2-CD1 4.12Å; T50-F58 HydrophobicContact CG2-CE1 3.54Å; T50-F58 HydrophobicContact CG2-CE2 4.37Å; T50-F58 HydrophobicContact CG2-CZ 3.7Å; F58-L60 HydrophobicContact CB-CD2 4.02Å; F58-L60 PolarHBondContact O-N 3.05Å; F58-L88 HydrophobicContact CD2-CD1 3.57Å; F58-L88 HydrophobicContact CE2-CD1 3.82Å; F58-M97 HydrophobicContact CE2-SD 3.85Å; F58-M97 HydrophobicContact CZ-SD 4.28Å; F58-V186 HydrophobicContact CZ-CG1 4.22Å; F58-M197 HydrophobicContact CZ-CB 4.19Å; F58-L199 HydrophobicContact CD1-CB 3.65Å; F58-L199 HydrophobicContact CE1-CB 3.77Å; F58-L199 HydrophobicContact CG-CB 4.08Å; F58-L199 HydrophobicContact CZ-CB 4.28Å
59D84.9Confident80.9Confident70 Ų7062.4 Ų62.437%0.37434%0.339SS..  trans-78.9103.2173.6-173.1-18.2000108.9D61 L62 C63D59-D61 PolarHBondContact OD1-N 3.02Å; D59-D61 VanDerWaalsContact OD1-N 3.1Å; D59-L62 HydrophobicContact CB-CB 3.82Å; D59-L62 VanDerWaalsContact CG-CB 3.45Å; D59-L62 PolarHBondContact OD1-N 3.11Å; D59-C63 PolarHBondContact O-N 3.49Å
60L87.1Confident80.8Confident17 Ų1762.2 Ų62.29%0.08933%0.333CS..Hα-helixtrans-79.6-22.2-177-55-165.8000112.5F58 C63 R64 E81 L84 K85F58-L60 HydrophobicContact CB-CD2 4.02Å; F58-L60 PolarHBondContact O-N 3.05Å; L60-C63 VanDerWaalsContact O-CB 3.32Å; L60-C63 WeakPolarHBondContact O-CB 3.46Å; L60-C63 PolarHBondContact O-N 3.5Å; L60-R64 PolarHBondContact O-N 3.23Å; L60-E81 HydrophobicContact CB-CG 4.06Å; L60-E81 HydrophobicContact CD1-CB 4.13Å; L60-E81 HydrophobicContact CD1-CG 4.21Å; L60-L84 HydrophobicContact CD1-CB 4.29Å; L60-L84 HydrophobicContact CD1-CD2 4.13Å; L60-L84 HydrophobicContact CD1-CG 4.38Å; L60-L84 HydrophobicContact CD2-CD2 3.38Å; L60-L84 HydrophobicContact CD2-CG 4.15Å; L60-L84 HydrophobicContact CG-CD2 4.41Å; L60-K85 HydrophobicContact CD1-CD 4.36Å; L60-K85 HydrophobicContact CD1-CG 3.63Å
61D85.9Confident80.9Confident108 Ų10863.8 Ų63.858%0.57836%0.355SS*.Hα-helixtrans-72.1-41173.9-61.1-42.6000109.5D59 C63 R64 S65D59-D61 PolarHBondContact OD1-N 3.02Å; D59-D61 VanDerWaalsContact OD1-N 3.1Å; D61-C63 VanDerWaalsContact C-N 3.29Å; D61-C63 PolarHBondContact O-N 3.06Å; D61-R64 PolarHBondContact O-N 3.16Å; D61-S65 PolarHBondContact O-N 3.14Å; D61-S65 PolarHBondContact O-OG 3.34Å; D61-S65 VanDerWaalsContact O-OG 3.05Å
62L86.9Confident81.3Confident67 Ų6761.3 Ų61.335%0.35133%0.333SS..Hα-helixtrans-62.3-37.7168.7-176.263.7000111.8I48 D59 S65 K66I48-L62 HydrophobicContact CD1-CD2 4.31Å; I48-L62 HydrophobicContact CD1-CG 4.01Å; D59-L62 HydrophobicContact CB-CB 3.82Å; D59-L62 VanDerWaalsContact CG-CB 3.45Å; D59-L62 PolarHBondContact OD1-N 3.11Å; L62-S65 WeakPolarHBondContact CA-OG 3.3Å; L62-S65 PolarHBondContact O-OG 2.96Å; L62-K66 WeakPolarHBondContact O-CG 3.48Å; L62-K66 PolarHBondContact O-N 3.46Å; L62-K66 VanDerWaalsContact O-N 3.14Å
63C87.5Confident81.5Confident1 Ų166.2 Ų66.21%0.00735%0.351CS..Hα-helixtrans-61.1-49.7175-169.70000111.7I48 D59 L60 D61 K66 L67 L201I48-C63 HydrophobicContact CD1-CB 4.09Å; I48-C63 HydrophobicContact CG1-CB 3.85Å; D59-C63 PolarHBondContact O-N 3.49Å; L60-C63 VanDerWaalsContact O-CB 3.32Å; L60-C63 WeakPolarHBondContact O-CB 3.46Å; L60-C63 PolarHBondContact O-N 3.5Å; D61-C63 VanDerWaalsContact C-N 3.29Å; D61-C63 PolarHBondContact O-N 3.06Å; C63-K66 PolarHBondContact O-N 2.97Å; C63-L67 WeakPolarHBondContact O-CG 3.5Å; C63-L67 PolarHBondContact O-N 2.96Å; C63-L201 VanDerWaalsContact SG-CD1 3.54Å
64R87.7Confident82Confident52 Ų5271.8 Ų71.820%0.19637%0.367CS..Hα-helixtrans-59.1-51.1177.6172.3177.8-73.5131.814.2111.5L60 D61 K66 L67 E68 E81L60-R64 PolarHBondContact O-N 3.23Å; D61-R64 PolarHBondContact O-N 3.16Å; R64-K66 VanDerWaalsContact C-N 3.27Å; R64-K66 PolarHBondContact O-N 3.36Å; R64-L67 WeakPolarHBondContact O-CA 3.39Å; R64-L67 WeakPolarHBondContact O-CB 3.49Å; R64-L67 PolarHBondContact O-N 2.71Å; R64-E68 VanDerWaalsContact CD-OE1 3.22Å; R64-E68 WeakPolarHBondContact CD-OE1 3.32Å; R64-E68 HydrophobicContact CG-CG 4.15Å; R64-E68 WeakPolarHBondContact CG-OE1 3.41Å; R64-E68 WeakPolarHBondContact O-CG 3.43Å; R64-E68 PolarHBondContact O-N 2.7Å; R64-E81 IonicContact CZ-OE1 4Å; R64-E81 IonicContact NH1-OE1 2.85Å; R64-E81 PolarHBondContact NH1-OE1 3.04Å; R64-E81 IonicContact NH2-OE1 3.09Å; R64-E81 PolarHBondContact NH2-OE1 3.38Å
65S87.6Confident83Confident53 Ų5365.3 Ų65.337%0.37133%0.333SS..Hα-helixtrans-60.9-36.6-17753.70000112.4D61 L62 Q69D61-S65 PolarHBondContact O-N 3.14Å; D61-S65 PolarHBondContact O-OG 3.34Å; D61-S65 VanDerWaalsContact O-OG 3.05Å; L62-S65 WeakPolarHBondContact CA-OG 3.3Å; L62-S65 PolarHBondContact O-OG 2.96Å; S65-Q69 WeakPolarHBondContact O-CB 3.48Å; S65-Q69 PolarHBondContact O-N 3.08Å
66K88.3Confident83.8Confident70 Ų7065.5 Ų65.530%0.30433%0.332SS..Hα-helixtrans-65-40.5171.3-74-165.8-169.2-178.40112.8A46 A47 I48 L62 C63 R64 Q69 E70A46-K66 HydrophobicContact CB-CB 4.18Å; A46-K66 HydrophobicContact CB-CD 4.47Å; A47-K66 PolarHBondContact O-NZ 3.1Å; I48-K66 HydrophobicContact CD1-CD 3.8Å; I48-K66 HydrophobicContact CD1-CG 4.49Å; L62-K66 WeakPolarHBondContact O-CG 3.48Å; L62-K66 PolarHBondContact O-N 3.46Å; L62-K66 VanDerWaalsContact O-N 3.14Å; C63-K66 PolarHBondContact O-N 2.97Å; R64-K66 VanDerWaalsContact C-N 3.27Å; R64-K66 PolarHBondContact O-N 3.36Å; K66-Q69 PolarHBondContact O-N 3.4Å; K66-E70 WeakPolarHBondContact O-CB 3.44Å; K66-E70 VanDerWaalsContact O-CG 3.3Å; K66-E70 WeakPolarHBondContact O-CG 3.41Å; K66-E70 PolarHBondContact O-N 2.88Å; K66-E70 VanDerWaalsContact O-N 3.14Å
67L88.2Confident84.2Confident2 Ų268.3 Ų68.31%0.0135%0.349CS..Hα-helixtrans-65.9-41.2177.3-74.3174.5000112.3V45 C63 R64 E70 G71 F72 I75 L80 L182 L201V45-L67 HydrophobicContact CG1-CD2 3.8Å; C63-L67 WeakPolarHBondContact O-CG 3.5Å; C63-L67 PolarHBondContact O-N 2.96Å; R64-L67 WeakPolarHBondContact O-CA 3.39Å; R64-L67 WeakPolarHBondContact O-CB 3.49Å; R64-L67 PolarHBondContact O-N 2.71Å; L67-E70 CarbonylContact O-C 3.6Å; L67-E70 WeakPolarHBondContact O-CA 3.48Å; L67-E70 PolarHBondContact O-N 2.98Å; L67-E70 VanDerWaalsContact O-N 3.11Å; L67-G71 PolarHBondContact O-N 3.16Å; L67-F72 HydrophobicContact CB-CB 4.15Å; L67-F72 HydrophobicContact CD2-CD2 4.36Å; L67-F72 WeakPolarHBondContact O-CB 3.38Å; L67-F72 PolarHBondContact O-N 2.89Å; L67-I75 HydrophobicContact CD1-CD1 4.24Å; L67-L80 HydrophobicContact CD1-CD2 3.53Å; L67-L182 HydrophobicContact CD2-CD1 4.04Å; L67-L201 HydrophobicContact CD1-CD2 3.66Å; L67-L201 HydrophobicContact CD2-CD2 3.88Å; L67-L201 HydrophobicContact CG-CD2 4.11Å
68E88.5Confident84.3Confident81 Ų8171.2 Ų71.238%0.37936%0.36SS..Hα-helixtrans-60.3-47.6175.5-73.1170.8178.200111R64 E70 G71 E73R64-E68 VanDerWaalsContact CD-OE1 3.22Å; R64-E68 WeakPolarHBondContact CD-OE1 3.32Å; R64-E68 HydrophobicContact CG-CG 4.15Å; R64-E68 WeakPolarHBondContact CG-OE1 3.41Å; R64-E68 WeakPolarHBondContact O-CG 3.43Å; R64-E68 PolarHBondContact O-N 2.7Å; E68-E70 PolarHBondContact O-N 2.89Å; E68-E70 VanDerWaalsContact O-N 3.16Å; E68-G71 PolarHBondContact O-N 3.29Å; E68-E73 HydrophobicContact CB-CG 4.32Å; E68-E73 HydrophobicContact CG-CG 4.46Å
69Q86.7Confident84.2Confident155 Ų15571.7 Ų71.772%0.72436%0.364SS*.Hα-helixtrans-56.8-32.4174.3-175.1178.39.100112.5S65 K66 G71S65-Q69 WeakPolarHBondContact O-CB 3.48Å; S65-Q69 PolarHBondContact O-N 3.08Å; K66-Q69 PolarHBondContact O-N 3.4Å; Q69-G71 VanDerWaalsContact C-N 3.3Å; Q69-G71 PolarHBondContact O-N 3.14Å
70E85.2Confident84.1Confident56 Ų5668.5 Ų68.526%0.26235%0.347SS..THydrogen-bonded Turntrans-88.59.6179.7-70.2-57.2164.100114.1R38 W39 V45 K66 L67 E68 F72R38-E70 IonicContact CZ-OE2 3Å; R38-E70 IonicContact NH1-OE2 3.1Å; R38-E70 VanDerWaalsContact NH2-CA 3.31Å; R38-E70 PolarHBondContact NH2-O 3.06Å; R38-E70 IonicContact NH2-OE2 3.9Å; R38-E70 PolarHBondContact NH2-OE2 3.18Å; W39-E70 HydrophobicContact CH2-CB 4.36Å; W39-E70 HydrophobicContact CH2-CG 4.31Å; W39-E70 VanDerWaalsContact CH2-OE2 3.3Å; W39-E70 WeakPolarHBondContact CH2-OE2 3.4Å; W39-E70 HydrophobicContact CZ2-CB 3.86Å; W39-E70 HydrophobicContact CZ2-CG 4.28Å; W39-E70 VanDerWaalsContact CZ2-OE2 3.25Å; W39-E70 WeakPolarHBondContact CZ2-OE2 3.42Å; V45-E70 HydrophobicContact CG1-CB 3.75Å; V45-E70 HydrophobicContact CG1-CG 4.07Å; K66-E70 WeakPolarHBondContact O-CB 3.44Å; K66-E70 VanDerWaalsContact O-CG 3.3Å; K66-E70 WeakPolarHBondContact O-CG 3.41Å; K66-E70 PolarHBondContact O-N 2.88Å; K66-E70 VanDerWaalsContact O-N 3.14Å; L67-E70 CarbonylContact O-C 3.6Å; L67-E70 WeakPolarHBondContact O-CA 3.48Å; L67-E70 PolarHBondContact O-N 2.98Å; L67-E70 VanDerWaalsContact O-N 3.11Å; E68-E70 PolarHBondContact O-N 2.89Å; E68-E70 VanDerWaalsContact O-N 3.16Å; E70-F72 HydrophobicContact CB-CD2 4.22Å
71G82.6Confident84Confident59 Ų5968.2 Ų68.261%0.60835%0.345SS*.THydrogen-bonded Turntrans86.615.8173.700000114.7L67 E68 Q69L67-G71 PolarHBondContact O-N 3.16Å; E68-G71 PolarHBondContact O-N 3.29Å; Q69-G71 VanDerWaalsContact C-N 3.3Å; Q69-G71 PolarHBondContact O-N 3.14Å
72F85Confident84Confident29 Ų2965.4 Ų65.413%0.12733%0.33CS..  trans-10350.1176.7-64.8-88.5000112.1W39 V45 L67 E70 Q74 I75 L182 Y203W39-F72 AromaticContact CD1-CZ 3.86Å; W39-F72 AromaticContact CE2-CE2 3.82Å; W39-F72 HydrophobicContact CG-CZ 4.5Å; W39-F72 HydrophobicContact CZ2-CE2 4.12Å; W39-F72 AromaticContact NE1-CE2 3.46Å; W39-F72 AromaticContact NE1-CZ 3.7Å; V45-F72 HydrophobicContact CG1-CD2 3.9Å; V45-F72 HydrophobicContact CG1-CE2 3.6Å; V45-F72 HydrophobicContact CG2-CE2 4.12Å; V45-F72 HydrophobicContact CG2-CZ 4.44Å; L67-F72 HydrophobicContact CB-CB 4.15Å; L67-F72 HydrophobicContact CD2-CD2 4.36Å; L67-F72 WeakPolarHBondContact O-CB 3.38Å; L67-F72 PolarHBondContact O-N 2.89Å; E70-F72 HydrophobicContact CB-CD2 4.22Å; F72-Q74 VanDerWaalsContact C-N 3.29Å; F72-Q74 PolarHBondContact O-N 2.82Å; F72-I75 HydrophobicContact CB-CD1 3.74Å; F72-I75 HydrophobicContact CB-CG1 4.32Å; F72-I75 HydrophobicContact CD1-CD1 4.24Å; F72-I75 HydrophobicContact CG-CD1 4.34Å; F72-L182 HydrophobicContact CD1-CD1 3.94Å; F72-L182 HydrophobicContact CD1-CG 4.33Å; F72-L182 HydrophobicContact CE1-CD1 4.14Å; F72-L182 HydrophobicContact CE1-CD2 4.02Å; F72-L182 HydrophobicContact CE1-CG 4.02Å; F72-L182 HydrophobicContact CE2-CD2 4.36Å; F72-L182 HydrophobicContact CG-CD1 4.31Å; F72-L182 HydrophobicContact CZ-CD2 3.91Å; F72-L182 HydrophobicContact CZ-CG 4.43Å; F72-Y203 HydrophobicContact CE1-CD2 4.46Å; F72-Y203 HydrophobicContact CZ-CD2 4Å
73E73.6Confident83.8Confident150 Ų15062.4 Ų62.470%0.70131%0.314SS*.THydrogen-bonded Turntrans-70.4-19-173-61.5178.9163.400114.7E68E68-E73 HydrophobicContact CB-CG 4.32Å; E68-E73 HydrophobicContact CG-CG 4.46Å
74Q74.5Confident83.7Confident180 Ų18062.4 Ų62.484%0.84131%0.314SS*.THydrogen-bonded Turntrans-94.99.3-171.7-63.6-177.315.600114.5F72 P76F72-Q74 VanDerWaalsContact C-N 3.29Å; F72-Q74 PolarHBondContact O-N 2.82Å; Q74-P76 WeakPolarHBondContact O-CD 3.44Å
75I82.1Confident83.7Confident17 Ų1764 Ų649%0.08732%0.323CS..  trans-78.3114.5-176.2-59.6177.6000110.2L67 F72 L80 M177 H180 L182L67-I75 HydrophobicContact CD1-CD1 4.24Å; F72-I75 HydrophobicContact CB-CD1 3.74Å; F72-I75 HydrophobicContact CB-CG1 4.32Å; F72-I75 HydrophobicContact CD1-CD1 4.24Å; F72-I75 HydrophobicContact CG-CD1 4.34Å; I75-L80 HydrophobicContact CG2-CB 3.85Å; I75-L80 HydrophobicContact CG2-CD2 4.49Å; I75-M177 HydrophobicContact CG2-CE 3.54Å; I75-M177 HydrophobicContact CG2-SD 4.45Å; I75-H180 HydrophobicContact CD1-CB 4.15Å; I75-H180 HydrophobicContact CG1-CB 4.18Å; I75-L182 HydrophobicContact CD1-CD1 3.45Å; I75-L182 VanDerWaalsContact CD1-CD1 3.45Å
76P82.8Confident83.5Confident59 Ų5965.8 Ų65.838%0.38333%0.331SS..  trans-66.4147.5-179.4-19.333.4000112.3Q74 R78 D79 L80Q74-P76 WeakPolarHBondContact O-CD 3.44Å; P76-R78 PolarHBondContact O-N 3.34Å; P76-R78 VanDerWaalsContact O-N 3.14Å; P76-D79 PolarHBondContact O-N 2.84Å; P76-L80 PolarHBondContact O-N 3.31Å
77V80.5Confident83.3Confident63 Ų6362.7 Ų62.738%0.38232%0.319SS..Hα-helixtrans-51-39.1173.1-176.70000111.5D79 L80 E81 D82V77-D79 VanDerWaalsContact C-N 3.25Å; V77-D79 PolarHBondContact O-N 2.79Å; V77-L80 PolarHBondContact O-N 2.94Å; V77-E81 HydrophobicContact CG1-CB 3.85Å; V77-E81 HydrophobicContact CG1-CG 4.14Å; V77-E81 PolarHBondContact O-N 3.48Å; V77-D82 PolarHBondContact O-N 2.62Å
78R80.2Confident83Confident185 Ų18563 Ų6370%0.69832%0.321SS*.Hα-helixtrans-62.8-26179.1-72.5-89.4148.4142.2-1.6114.3P76 D82 P83 R176P76-R78 PolarHBondContact O-N 3.34Å; P76-R78 VanDerWaalsContact O-N 3.14Å; R78-D82 WeakPolarHBondContact CA-OD2 3.36Å; R78-D82 VanDerWaalsContact CD-OD2 3.3Å; R78-D82 WeakPolarHBondContact CD-OD2 3.46Å; R78-D82 IonicContact CZ-OD2 3.95Å; R78-D82 IonicContact NE-OD2 2.7Å; R78-D82 PolarHBondContact NE-OD2 3.04Å; R78-P83 WeakPolarHBondContact O-CD 3.26Å; R78-R176 PolarHBondContact O-NH1 3.19Å
79D81.6Confident82.6Confident31 Ų3162.3 Ų62.317%0.16632%0.319CS..Hα-helixtrans-95.3-27.4-177.7-74.3-14.1000112.3P76 V77 P83 R176 M177 H180P76-D79 PolarHBondContact O-N 2.84Å; V77-D79 VanDerWaalsContact C-N 3.25Å; V77-D79 PolarHBondContact O-N 2.79Å; D79-P83 VanDerWaalsContact O-CG 3.22Å; D79-P83 WeakPolarHBondContact O-CG 3.03Å; D79-R176 HydrophobicContact CB-CB 4.41Å; D79-M177 HydrophobicContact CB-CE 3.7Å; D79-M177 VanDerWaalsContact O-CE 3.25Å; D79-M177 WeakPolarHBondContact O-CE 3.47Å; D79-H180 IonicContact OD2-NE2 2.84Å; D79-H180 PolarHBondContact OD2-NE2 3.12Å; D79-H180 VanDerWaalsContact OD2-NE2 3.1Å
80L83.4Confident82.2Confident4 Ų456.5 Ų56.52%0.02129%0.294CS..Hα-helixtrans-109.7-62.3-176.917765.7000113L67 I75 P76 V77 L84 M177 L201L67-L80 HydrophobicContact CD1-CD2 3.53Å; I75-L80 HydrophobicContact CG2-CB 3.85Å; I75-L80 HydrophobicContact CG2-CD2 4.49Å; P76-L80 PolarHBondContact O-N 3.31Å; V77-L80 PolarHBondContact O-N 2.94Å; L80-L84 WeakPolarHBondContact O-CB 3.26Å; L80-L84 PolarHBondContact O-N 3.18Å; L80-M177 HydrophobicContact CB-CE 4.06Å; L80-M177 HydrophobicContact CB-SD 3.93Å; L80-M177 HydrophobicContact CD1-SD 3.47Å; L80-M177 WeakPolarHBondContact CD1-SD 3.31Å; L80-M177 HydrophobicContact CG-SD 4.27Å; L80-L201 HydrophobicContact CD1-CD2 4.17Å
81E85.9Confident81.6Confident10 Ų1057.5 Ų57.55%0.04731%0.306CS..Hα-helixtrans-74.2-53.5-170.1-70.2-171.6-124.600113.2L60 R64 V77 L84 K85L60-E81 HydrophobicContact CB-CG 4.06Å; L60-E81 HydrophobicContact CD1-CB 4.13Å; L60-E81 HydrophobicContact CD1-CG 4.21Å; R64-E81 IonicContact CZ-OE1 4Å; R64-E81 IonicContact NH1-OE1 2.85Å; R64-E81 PolarHBondContact NH1-OE1 3.04Å; R64-E81 IonicContact NH2-OE1 3.09Å; R64-E81 PolarHBondContact NH2-OE1 3.38Å; V77-E81 HydrophobicContact CG1-CB 3.85Å; V77-E81 HydrophobicContact CG1-CG 4.14Å; V77-E81 PolarHBondContact O-N 3.48Å; E81-L84 PolarHBondContact O-N 3.17Å; E81-L84 VanDerWaalsContact O-N 3.12Å; E81-K85 WeakPolarHBondContact O-CB 3.4Å; E81-K85 WeakPolarHBondContact O-CG 3.49Å; E81-K85 PolarHBondContact O-N 2.85Å; E81-K85 IonicContact OE2-NZ 3.63Å; E81-K85 PolarHBondContact OE2-NZ 2.81Å
82D85.4Confident80.9Confident50 Ų5057 Ų5727%0.26729%0.293SS..Hα-helixtrans-53.5-49.8-177-68.6-15.9000112.2V77 R78 L84 T86V77-D82 PolarHBondContact O-N 2.62Å; R78-D82 WeakPolarHBondContact CA-OD2 3.36Å; R78-D82 VanDerWaalsContact CD-OD2 3.3Å; R78-D82 WeakPolarHBondContact CD-OD2 3.46Å; R78-D82 IonicContact CZ-OD2 3.95Å; R78-D82 IonicContact NE-OD2 2.7Å; R78-D82 PolarHBondContact NE-OD2 3.04Å; D82-L84 VanDerWaalsContact C-N 3.35Å; D82-T86 WeakPolarHBondContact O-CB 3.09Å; D82-T86 PolarHBondContact O-N 3.34Å; D82-T86 PolarHBondContact O-OG1 3.45Å
83P83.1Confident80.4Confident3 Ų355.6 Ų55.62%0.01929%0.287CS..Hα-helixtrans-70.9-31.2179.130-36.7000112.2R78 D79 T86 A87 V173R78-P83 WeakPolarHBondContact O-CD 3.26Å; D79-P83 VanDerWaalsContact O-CG 3.22Å; D79-P83 WeakPolarHBondContact O-CG 3.03Å; P83-T86 PolarHBondContact O-N 2.75Å; P83-A87 VanDerWaalsContact O-CB 3.28Å; P83-A87 WeakPolarHBondContact O-CB 3.47Å; P83-A87 PolarHBondContact O-N 3.05Å; P83-V173 HydrophobicContact CB-CG2 4.09Å
84L85.7Confident80.5Confident1 Ų152.4 Ų52.41%0.00527%0.268CS..Hα-helixtrans-74.1-39.9179.6-169.964.2000112.3L60 L80 E81 D82 A87 L88 L170 V173 V184 L199L60-L84 HydrophobicContact CD1-CB 4.29Å; L60-L84 HydrophobicContact CD1-CD2 4.13Å; L60-L84 HydrophobicContact CD1-CG 4.38Å; L60-L84 HydrophobicContact CD2-CD2 3.38Å; L60-L84 HydrophobicContact CD2-CG 4.15Å; L60-L84 HydrophobicContact CG-CD2 4.41Å; L80-L84 WeakPolarHBondContact O-CB 3.26Å; L80-L84 PolarHBondContact O-N 3.18Å; E81-L84 PolarHBondContact O-N 3.17Å; E81-L84 VanDerWaalsContact O-N 3.12Å; D82-L84 VanDerWaalsContact C-N 3.35Å; L84-A87 PolarHBondContact O-N 3.19Å; L84-L88 HydrophobicContact CD1-CD1 3.42Å; L84-L88 VanDerWaalsContact CD1-CD1 3.42Å; L84-L88 HydrophobicContact CD1-CG 4.01Å; L84-L88 HydrophobicContact CG-CD1 3.83Å; L84-L88 HydrophobicContact CG-CG 4.49Å; L84-L88 VanDerWaalsContact O-CB 3.31Å; L84-L88 WeakPolarHBondContact O-CB 3.49Å; L84-L88 WeakPolarHBondContact O-CG 3.39Å; L84-L88 PolarHBondContact O-N 3.4Å; L84-L170 HydrophobicContact CD1-CD2 4.04Å; L84-V173 HydrophobicContact CD1-CG1 4.39Å; L84-V184 HydrophobicContact CD1-CG1 4.26Å; L84-L199 HydrophobicContact CD1-CD1 4.06Å; L84-L199 HydrophobicContact CD1-CD2 4.49Å; L84-L199 HydrophobicContact CD2-CD2 3.58Å
85K85.8Confident80.4Confident85 Ų8551.8 Ų51.837%0.3726%0.258SS..Hα-helixtrans-57.7-50.1168.2-72.9175.8-178.6158.70109.7L60 E81 A87 L88 D89L60-K85 HydrophobicContact CD1-CD 4.36Å; L60-K85 HydrophobicContact CD1-CG 3.63Å; E81-K85 WeakPolarHBondContact O-CB 3.4Å; E81-K85 WeakPolarHBondContact O-CG 3.49Å; E81-K85 PolarHBondContact O-N 2.85Å; E81-K85 IonicContact OE2-NZ 3.63Å; E81-K85 PolarHBondContact OE2-NZ 2.81Å; K85-A87 VanDerWaalsContact C-N 3.3Å; K85-A87 PolarHBondContact O-N 3.31Å; K85-L88 PolarHBondContact O-N 3.3Å; K85-D89 VanDerWaalsContact O-CB 3.26Å; K85-D89 WeakPolarHBondContact O-CB 3.28Å; K85-D89 PolarHBondContact O-N 2.89Å
86T84.7Confident80Confident91 Ų9151.3 Ų51.356%0.55826%0.256SS*.Hα-helixtrans-60-38.5178.9-55.90000112.8D82 P83 V90D82-T86 WeakPolarHBondContact O-CB 3.09Å; D82-T86 PolarHBondContact O-N 3.34Å; D82-T86 PolarHBondContact O-OG1 3.45Å; P83-T86 PolarHBondContact O-N 2.75Å; T86-V90 WeakPolarHBondContact O-CG2 3.29Å
87A83Confident79.5Confident5 Ų549.2 Ų49.24%0.04124%0.241CC..Hα-helixtrans-73.1-41.3179.100000112.8P83 L84 K85 R169 V173P83-A87 VanDerWaalsContact O-CB 3.28Å; P83-A87 WeakPolarHBondContact O-CB 3.47Å; P83-A87 PolarHBondContact O-N 3.05Å; L84-A87 PolarHBondContact O-N 3.19Å; K85-A87 VanDerWaalsContact C-N 3.3Å; K85-A87 PolarHBondContact O-N 3.31Å; A87-R169 HydrophobicContact CB-CB 3.99Å; A87-V173 HydrophobicContact CB-CG2 3.93Å
88L82.4Confident79Confident10 Ų1048 Ų485%0.05223%0.233CC..Hα-helixtrans-104-25.3-166.6-59.6-178.8000115.2F58 L84 K85 V90 V93 I166 L170 V186 L199F58-L88 HydrophobicContact CD2-CD1 3.57Å; F58-L88 HydrophobicContact CE2-CD1 3.82Å; L84-L88 HydrophobicContact CD1-CD1 3.42Å; L84-L88 VanDerWaalsContact CD1-CD1 3.42Å; L84-L88 HydrophobicContact CD1-CG 4.01Å; L84-L88 HydrophobicContact CG-CD1 3.83Å; L84-L88 HydrophobicContact CG-CG 4.49Å; L84-L88 VanDerWaalsContact O-CB 3.31Å; L84-L88 WeakPolarHBondContact O-CB 3.49Å; L84-L88 WeakPolarHBondContact O-CG 3.39Å; L84-L88 PolarHBondContact O-N 3.4Å; K85-L88 PolarHBondContact O-N 3.3Å; L88-V90 PolarHBondContact O-N 3.43Å; L88-V93 HydrophobicContact CD2-CG1 4.47Å; L88-I166 HydrophobicContact CD2-CG2 4.1Å; L88-L170 HydrophobicContact CD2-CD2 4.49Å; L88-V186 HydrophobicContact CD1-CG2 4.49Å; L88-V186 HydrophobicContact CD2-CG2 4.19Å; L88-L199 HydrophobicContact CD1-CD1 4.31Å
89D80.7Confident78.3Confident65 Ų6543.2 Ų43.235%0.34822%0.218SC..  trans-77.43-179.6-82.5-46000114R57 K85R57-D89 IonicContact NE-OD1 2.93Å; K85-D89 VanDerWaalsContact O-CB 3.26Å; K85-D89 WeakPolarHBondContact O-CB 3.28Å; K85-D89 PolarHBondContact O-N 2.89Å
90V78.9Confident77.6Confident33 Ų3343.3 Ų43.320%0.222%0.218CC..  trans-63.7132.5178.4-178.50000110.3T86 L88 S92 V93 R94T86-V90 WeakPolarHBondContact O-CG2 3.29Å; L88-V90 PolarHBondContact O-N 3.43Å; V90-S92 WeakPolarHBondContact CG1-OG 3.48Å; V90-S92 PolarHBondContact O-N 2.86Å; V90-V93 HydrophobicContact CB-CG2 4.22Å; V90-V93 WeakPolarHBondContact O-CA 3.43Å; V90-V93 WeakPolarHBondContact O-CB 3.45Å; V90-V93 PolarHBondContact O-N 2.83Å; V90-R94 PolarHBondContact O-N 3.07Å
91P70.8Confident76.8Confident78 Ų7844 Ų4451%0.50622%0.223SC..Hα-helixtrans-54.2-33.8-175.6-29.434.4000114.7R95P91-R95 WeakPolarHBondContact O-CB 3.43Å; P91-R95 VanDerWaalsContact O-CG 3.26Å; P91-R95 WeakPolarHBondContact O-CG 3.46Å; P91-R95 PolarHBondContact O-N 2.79Å
92S69.5Low75.7Confident47 Ų4744.2 Ų44.233%0.32923%0.228SC..Hα-helixtrans-66.9-38.2176.455.40000112.8V90 Y96V90-S92 WeakPolarHBondContact CG1-OG 3.48Å; V90-S92 PolarHBondContact O-N 2.86Å; S92-Y96 WeakPolarHBondContact O-CB 3.47Å; S92-Y96 PolarHBondContact O-N 3.31Å
93V73.6Confident74.5Confident0 Ų047.2 Ų47.20%024%0.244CC..Hα-helixtrans-70.4-44.8176.9178.20000109.4L88 V90 R95 Y96 M97 I166L88-V93 HydrophobicContact CD2-CG1 4.47Å; V90-V93 HydrophobicContact CB-CG2 4.22Å; V90-V93 WeakPolarHBondContact O-CA 3.43Å; V90-V93 WeakPolarHBondContact O-CB 3.45Å; V90-V93 PolarHBondContact O-N 2.83Å; V93-R95 PolarHBondContact O-N 2.99Å; V93-Y96 WeakPolarHBondContact O-CB 3.22Å; V93-Y96 PolarHBondContact O-N 3.2Å; V93-Y96 VanDerWaalsContact O-N 3.17Å; V93-M97 HydrophobicContact CG1-CE 4.11Å; V93-M97 HydrophobicContact CG1-CG 4.48Å; V93-M97 VanDerWaalsContact O-CG 3.31Å; V93-M97 WeakPolarHBondContact O-CG 3.47Å; V93-M97 PolarHBondContact O-N 3.22Å; V93-I166 HydrophobicContact CB-CG1 4.43Å; V93-I166 HydrophobicContact CG1-CD1 3.76Å; V93-I166 HydrophobicContact CG1-CG1 3.83Å; V93-I166 HydrophobicContact CG2-CD1 4.42Å; V93-I166 HydrophobicContact CG2-CG1 3.8Å
94R75.9Confident73.8Confident83 Ų8349.7 Ų49.731%0.31325%0.254SS..Hα-helixtrans-58.7-46175-71.9-178.459.8-154.9-4.3113V90 Y96 M97 V98V90-R94 PolarHBondContact O-N 3.07Å; R94-Y96 VanDerWaalsContact C-N 3.34Å; R94-Y96 PolarHBondContact O-N 3.21Å; R94-M97 HydrophobicContact CB-CE 4.41Å; R94-M97 HydrophobicContact CG-CE 3.97Å; R94-M97 PolarHBondContact O-N 2.63Å; R94-V98 WeakPolarHBondContact O-CG2 2.93Å; R94-V98 PolarHBondContact O-N 3.4Å
95R73.3Confident73.1Confident167 Ų16752.4 Ų52.463%0.6327%0.267SS*.Hα-helixtrans-60-44.9174.6-75.1175.5-163.3169.13.9111.2P91 V93 M97 V98 F99P91-R95 WeakPolarHBondContact O-CB 3.43Å; P91-R95 VanDerWaalsContact O-CG 3.26Å; P91-R95 WeakPolarHBondContact O-CG 3.46Å; P91-R95 PolarHBondContact O-N 2.79Å; V93-R95 PolarHBondContact O-N 2.99Å; R95-M97 PolarHBondContact O-N 2.95Å; R95-V98 PolarHBondContact O-N 3.34Å; R95-F99 HydrophobicContact CB-CD2 4.09Å; R95-F99 HydrophobicContact CB-CE2 3.9Å; R95-F99 HydrophobicContact CG-CE2 4.47Å; R95-F99 WeakPolarHBondContact O-CD2 3.43Å; R95-F99 WeakPolarHBondContact O-CG 3.34Å; R95-F99 PolarHBondContact O-N 3.1Å
96Y72.1Confident72.4Confident8 Ų855.8 Ų55.83%0.03128%0.282CS..Hα-helixtrans-59.3-44.7176.1168.8-111.7000112.9S92 V93 R94 V98 F99 N100 N159 I162 I166 M197S92-Y96 WeakPolarHBondContact O-CB 3.47Å; S92-Y96 PolarHBondContact O-N 3.31Å; V93-Y96 WeakPolarHBondContact O-CB 3.22Å; V93-Y96 PolarHBondContact O-N 3.2Å; V93-Y96 VanDerWaalsContact O-N 3.17Å; R94-Y96 VanDerWaalsContact C-N 3.34Å; R94-Y96 PolarHBondContact O-N 3.21Å; Y96-V98 PolarHBondContact O-N 2.96Å; Y96-F99 PolarHBondContact O-N 3.45Å; Y96-F99 VanDerWaalsContact O-N 3.16Å; Y96-N100 HydrophobicContact CD2-CB 4.25Å; Y96-N100 HydrophobicContact CE2-CB 3.82Å; Y96-N100 VanDerWaalsContact O-CB 3.23Å; Y96-N100 WeakPolarHBondContact O-CB 3.48Å; Y96-N100 PolarHBondContact O-N 2.92Å; Y96-N100 PolarHBondContact OH-ND2 3Å; Y96-N159 HydrophobicContact CD2-CB 4.1Å; Y96-N159 WeakPolarHBondContact CD2-OD1 3.04Å; Y96-N159 VanDerWaalsContact CE2-CA 3.5Å; Y96-N159 HydrophobicContact CE2-CB 3.47Å; Y96-N159 VanDerWaalsContact CE2-CB 3.47Å; Y96-N159 VanDerWaalsContact CE2-CG 3.46Å; Y96-I162 HydrophobicContact CD1-CB 4.39Å; Y96-I162 HydrophobicContact CD1-CG2 3.7Å; Y96-I162 HydrophobicContact CD2-CB 4.11Å; Y96-I162 HydrophobicContact CD2-CD1 4.24Å; Y96-I162 HydrophobicContact CD2-CG2 4.18Å; Y96-I162 HydrophobicContact CE1-CG2 4.45Å; Y96-I162 HydrophobicContact CG-CB 3.96Å; Y96-I162 HydrophobicContact CG-CD1 4.28Å; Y96-I162 HydrophobicContact CG-CG2 3.51Å; Y96-I166 HydrophobicContact CD1-CD1 3.65Å; Y96-I166 HydrophobicContact CE1-CD1 3.75Å; Y96-M197 HydrophobicContact CD1-CE 3.62Å; Y96-M197 HydrophobicContact CE1-CE 3.17Å; Y96-M197 HydrophobicContact CE1-SD 4.2Å; Y96-M197 HydrophobicContact CE2-CE 4.44Å; Y96-M197 HydrophobicContact CG-CE 4.48Å
97M73.3Confident72Confident14 Ų1455.1 Ų55.17%0.06928%0.278CS..Hα-helixtrans-59.4-35.6176.8-66.4-169-78.200112.5T50 P56 F58 V93 R94 R95 M197T50-M97 HydrophobicContact CG2-SD 4.42Å; P56-M97 HydrophobicContact CB-CB 3.61Å; P56-M97 HydrophobicContact CB-CE 4.33Å; P56-M97 HydrophobicContact CB-CG 4.46Å; P56-M97 HydrophobicContact CB-SD 4.14Å; P56-M97 HydrophobicContact CG-CB 3.27Å; P56-M97 HydrophobicContact CG-CE 4.35Å; P56-M97 HydrophobicContact CG-CG 4.4Å; P56-M97 WeakPolarHBondContact O-CE 3.35Å; F58-M97 HydrophobicContact CE2-SD 3.85Å; F58-M97 HydrophobicContact CZ-SD 4.28Å; V93-M97 HydrophobicContact CG1-CE 4.11Å; V93-M97 HydrophobicContact CG1-CG 4.48Å; V93-M97 VanDerWaalsContact O-CG 3.31Å; V93-M97 WeakPolarHBondContact O-CG 3.47Å; V93-M97 PolarHBondContact O-N 3.22Å; R94-M97 HydrophobicContact CB-CE 4.41Å; R94-M97 HydrophobicContact CG-CE 3.97Å; R94-M97 PolarHBondContact O-N 2.63Å; R95-M97 PolarHBondContact O-N 2.95Å; M97-M197 HydrophobicContact CB-CE 4.43Å; M97-M197 HydrophobicContact CB-SD 4.22Å; M97-M197 HydrophobicContact CG-CE 4.14Å; M97-M197 HydrophobicContact CG-SD 3.53Å; M97-M197 VanDerWaalsContact CG-SD 3.53Å; M97-M197 HydrophobicContact SD-SD 4.31Å
98V69.9Low71.9Confident37 Ų3756.4 Ų56.422%0.22428%0.284CS..Hα-helixtrans-70.2-47.4173.8176.70000110.9P56 R94 R95 Y96 N100 S101P56-V98 HydrophobicContact CG-CG2 3.64Å; R94-V98 WeakPolarHBondContact O-CG2 2.93Å; R94-V98 PolarHBondContact O-N 3.4Å; R95-V98 PolarHBondContact O-N 3.34Å; Y96-V98 PolarHBondContact O-N 2.96Å; V98-N100 PolarHBondContact O-N 3.39Å; V98-S101 VanDerWaalsContact O-CB 3.3Å; V98-S101 WeakPolarHBondContact O-CB 3.25Å; V98-S101 PolarHBondContact O-N 3.41Å
99F66.2Low72Confident85 Ų8557.5 Ų57.537%0.37329%0.294SS..Hα-helixtrans-72-27.1-176.2-68.9-50.1000114R95 Y96 S101 F104 H105R95-F99 HydrophobicContact CB-CD2 4.09Å; R95-F99 HydrophobicContact CB-CE2 3.9Å; R95-F99 HydrophobicContact CG-CE2 4.47Å; R95-F99 WeakPolarHBondContact O-CD2 3.43Å; R95-F99 WeakPolarHBondContact O-CG 3.34Å; R95-F99 PolarHBondContact O-N 3.1Å; Y96-F99 PolarHBondContact O-N 3.45Å; Y96-F99 VanDerWaalsContact O-N 3.16Å; F99-S101 PolarHBondContact O-N 3.19Å; F99-F104 HydrophobicContact CB-CD1 4.34Å; F99-F104 HydrophobicContact CB-CE1 4.28Å; F99-F104 AromaticContact CD1-CD1 3.99Å; F99-F104 HydrophobicContact CD1-CD1 3.99Å; F99-F104 HydrophobicContact CD1-CD2 4.21Å; F99-F104 AromaticContact CD1-CE1 3.43Å; F99-F104 HydrophobicContact CD1-CE1 3.43Å; F99-F104 VanDerWaalsContact CD1-CE1 3.43Å; F99-F104 AromaticContact CD1-CE2 3.7Å; F99-F104 HydrophobicContact CD1-CE2 3.7Å; F99-F104 HydrophobicContact CD1-CG 4.35Å; F99-F104 AromaticContact CD1-CZ 3.28Å; F99-F104 HydrophobicContact CD1-CZ 3.28Å; F99-F104 HydrophobicContact CE1-CE1 4.18Å; F99-F104 AromaticContact CE1-CE2 3.86Å; F99-F104 HydrophobicContact CE1-CE2 3.86Å; F99-F104 AromaticContact CE1-CZ 3.57Å; F99-F104 HydrophobicContact CE1-CZ 3.57Å; F99-F104 HydrophobicContact CG-CE1 4.29Å; F99-F104 HydrophobicContact CG-CZ 4.48Å; F99-F104 WeakPolarHBondContact O-CD1 3.4Å; F99-H105 PolarHBondContact O-NE2 3Å
100N65.9Low72.2Confident34 Ų3457.9 Ų57.918%0.18230%0.3CS..THydrogen-bonded Turntrans-82.60.5176.5-158.946.5000112.5Y96 V98 G102 D188 M197Y96-N100 HydrophobicContact CD2-CB 4.25Å; Y96-N100 HydrophobicContact CE2-CB 3.82Å; Y96-N100 VanDerWaalsContact O-CB 3.23Å; Y96-N100 WeakPolarHBondContact O-CB 3.48Å; Y96-N100 PolarHBondContact O-N 2.92Å; Y96-N100 PolarHBondContact OH-ND2 3Å; V98-N100 PolarHBondContact O-N 3.39Å; N100-G102 PolarHBondContact O-N 3.49Å; N100-D188 VanDerWaalsContact ND2-CG 3.27Å; N100-D188 PolarHBondContact ND2-OD1 3.41Å; N100-M197 HydrophobicContact CB-CE 3.6Å; N100-M197 VanDerWaalsContact ND2-CE 3.27Å; N100-M197 WeakPolarHBondContact ND2-CE 3.17Å
101S65.9Low72.7Confident17 Ų1760.1 Ų60.112%0.11931%0.314CS..  trans-66.8132.7174-173.40000110.1V98 F99 L103 F104 H105V98-S101 VanDerWaalsContact O-CB 3.3Å; V98-S101 WeakPolarHBondContact O-CB 3.25Å; V98-S101 PolarHBondContact O-N 3.41Å; F99-S101 PolarHBondContact O-N 3.19Å; S101-L103 PolarHBondContact O-N 3.07Å; S101-F104 WeakPolarHBondContact O-CA 3.44Å; S101-F104 WeakPolarHBondContact O-CB 3.3Å; S101-F104 PolarHBondContact O-N 3.01Å; S101-H105 PolarHBondContact O-N 2.84Å; S101-H105 VanDerWaalsContact O-N 3.15Å
102G63.3Low73.4Confident15 Ų1558.1 Ų58.116%0.15530%0.299CS..Hα-helixtrans-58.8-30.6177.200000113.1N100 H105 F106 C193 G195N100-G102 PolarHBondContact O-N 3.49Å; G102-H105 PolarHBondContact O-N 3.5Å; G102-F106 VanDerWaalsContact O-CB 3.28Å; G102-F106 WeakPolarHBondContact O-CB 3.44Å; G102-F106 PolarHBondContact O-N 2.96Å; G102-C193 CarbonylContact C-O 3.59Å; G102-C193 WeakPolarHBondContact CA-O 3.23Å; G102-G195 VanDerWaalsContact N-N 3.18Å
103L60.4Low74.4Confident114 Ų11459.6 Ų59.660%0.59730%0.297SS*.Hα-helixtrans-66.2-38.9174.3-166.8150000111.5S101 F106 V107S101-L103 PolarHBondContact O-N 3.07Å; L103-F106 PolarHBondContact O-N 3.11Å; L103-V107 HydrophobicContact CD2-CG2 4.17Å; L103-V107 WeakPolarHBondContact O-CB 3.49Å; L103-V107 WeakPolarHBondContact O-CG2 3.15Å; L103-V107 PolarHBondContact O-N 3.49Å
104F68.5Low75.3Confident54 Ų5463.6 Ų63.624%0.23732%0.321CS..Hα-helixtrans-63.4-48174.8-179.3-98.1000110.7F99 S101 F106 V107 L108F99-F104 HydrophobicContact CB-CD1 4.34Å; F99-F104 HydrophobicContact CB-CE1 4.28Å; F99-F104 AromaticContact CD1-CD1 3.99Å; F99-F104 HydrophobicContact CD1-CD1 3.99Å; F99-F104 HydrophobicContact CD1-CD2 4.21Å; F99-F104 AromaticContact CD1-CE1 3.43Å; F99-F104 HydrophobicContact CD1-CE1 3.43Å; F99-F104 VanDerWaalsContact CD1-CE1 3.43Å; F99-F104 AromaticContact CD1-CE2 3.7Å; F99-F104 HydrophobicContact CD1-CE2 3.7Å; F99-F104 HydrophobicContact CD1-CG 4.35Å; F99-F104 AromaticContact CD1-CZ 3.28Å; F99-F104 HydrophobicContact CD1-CZ 3.28Å; F99-F104 HydrophobicContact CE1-CE1 4.18Å; F99-F104 AromaticContact CE1-CE2 3.86Å; F99-F104 HydrophobicContact CE1-CE2 3.86Å; F99-F104 AromaticContact CE1-CZ 3.57Å; F99-F104 HydrophobicContact CE1-CZ 3.57Å; F99-F104 HydrophobicContact CG-CE1 4.29Å; F99-F104 HydrophobicContact CG-CZ 4.48Å; F99-F104 WeakPolarHBondContact O-CD1 3.4Å; S101-F104 WeakPolarHBondContact O-CA 3.44Å; S101-F104 WeakPolarHBondContact O-CB 3.3Å; S101-F104 PolarHBondContact O-N 3.01Å; F104-F106 PolarHBondContact O-N 3.12Å; F104-V107 PolarHBondContact O-N 3.22Å; F104-L108 HydrophobicContact CD1-CB 4.36Å; F104-L108 HydrophobicContact CD1-CD2 4.13Å; F104-L108 HydrophobicContact CE1-CB 4.13Å; F104-L108 HydrophobicContact CE1-CD1 4.38Å; F104-L108 HydrophobicContact CE1-CD2 3.28Å; F104-L108 HydrophobicContact CE1-CG 4.09Å; F104-L108 HydrophobicContact CE2-CD1 4.36Å; F104-L108 HydrophobicContact CZ-CB 4.21Å; F104-L108 HydrophobicContact CZ-CD1 3.84Å; F104-L108 HydrophobicContact CZ-CD2 3.59Å; F104-L108 HydrophobicContact CZ-CG 4.05Å; F104-L108 WeakPolarHBondContact O-CA 3.43Å; F104-L108 WeakPolarHBondContact O-CB 3.25Å; F104-L108 PolarHBondContact O-N 3.39Å
105H70.7Confident76.1Confident59 Ų5963.9 Ų63.927%0.27333%0.332SS..Hα-helixtrans-63.6-39.4177.2-77.9-65.8000113.2F99 S101 G102 A109F99-H105 PolarHBondContact O-NE2 3Å; S101-H105 PolarHBondContact O-N 2.84Å; S101-H105 VanDerWaalsContact O-N 3.15Å; G102-H105 PolarHBondContact O-N 3.5Å; H105-A109 WeakPolarHBondContact O-CB 3.46Å; H105-A109 PolarHBondContact O-N 2.8Å
106F71Confident77Confident156 Ų15657.2 Ų57.268%0.68431%0.309SS*.Hα-helixtrans-64.5-37.6178.3-177.6-99.5000112.8G102 L103 F104 P110G102-F106 VanDerWaalsContact O-CB 3.28Å; G102-F106 WeakPolarHBondContact O-CB 3.44Å; G102-F106 PolarHBondContact O-N 2.96Å; L103-F106 PolarHBondContact O-N 3.11Å; F104-F106 PolarHBondContact O-N 3.12Å; F106-P110 WeakPolarHBondContact O-CD 3.35Å; F106-P110 WeakPolarHBondContact O-CG 3.44Å
107V77.4Confident78Confident77 Ų7759.9 Ų59.947%0.46732%0.319SS..Hα-helixtrans-84.5-40.5178.3175.70000111.7L103 F104 A109 P110 V111L103-V107 HydrophobicContact CD2-CG2 4.17Å; L103-V107 WeakPolarHBondContact O-CB 3.49Å; L103-V107 WeakPolarHBondContact O-CG2 3.15Å; L103-V107 PolarHBondContact O-N 3.49Å; F104-V107 PolarHBondContact O-N 3.22Å; V107-A109 PolarHBondContact O-N 2.7Å; V107-P110 WeakPolarHBondContact O-CD 3.31Å; V107-V111 HydrophobicContact CG1-CG2 4.22Å; V107-V111 WeakPolarHBondContact O-CB 3.33Å; V107-V111 WeakPolarHBondContact O-CG2 3.38Å; V107-V111 PolarHBondContact O-N 3.22Å
108L80.8Confident78.9Confident32 Ų3262.3 Ų62.317%0.16834%0.336CS..Hα-helixtrans-64.2-43.6-175.8-178.472.8000111.6F104 V111 L112 L155F104-L108 HydrophobicContact CD1-CB 4.36Å; F104-L108 HydrophobicContact CD1-CD2 4.13Å; F104-L108 HydrophobicContact CE1-CB 4.13Å; F104-L108 HydrophobicContact CE1-CD1 4.38Å; F104-L108 HydrophobicContact CE1-CD2 3.28Å; F104-L108 HydrophobicContact CE1-CG 4.09Å; F104-L108 HydrophobicContact CE2-CD1 4.36Å; F104-L108 HydrophobicContact CZ-CB 4.21Å; F104-L108 HydrophobicContact CZ-CD1 3.84Å; F104-L108 HydrophobicContact CZ-CD2 3.59Å; F104-L108 HydrophobicContact CZ-CG 4.05Å; F104-L108 WeakPolarHBondContact O-CA 3.43Å; F104-L108 WeakPolarHBondContact O-CB 3.25Å; F104-L108 PolarHBondContact O-N 3.39Å; L108-V111 PolarHBondContact O-N 2.8Å; L108-L112 HydrophobicContact CD1-CD1 3.75Å; L108-L112 HydrophobicContact CD1-CD2 4.16Å; L108-L112 HydrophobicContact CD1-CG 3.67Å; L108-L112 HydrophobicContact CD2-CD1 3.83Å; L108-L112 HydrophobicContact CG-CD1 3.51Å; L108-L112 HydrophobicContact CG-CG 3.82Å; L108-L112 VanDerWaalsContact O-CB 3.26Å; L108-L112 WeakPolarHBondContact O-CB 3.36Å; L108-L112 VanDerWaalsContact O-CG 3.27Å; L108-L112 WeakPolarHBondContact O-CG 3.37Å; L108-L112 PolarHBondContact O-N 2.87Å; L108-L155 HydrophobicContact CD2-CD1 3.49Å; L108-L155 VanDerWaalsContact CD2-CD1 3.49Å
109A83.8Confident79.8Confident33 Ų3363 Ų6327%0.27335%0.346SS..Hα-helixtrans-63.2-48.5-17400000113.4H105 V107 Y113 I152H105-A109 WeakPolarHBondContact O-CB 3.46Å; H105-A109 PolarHBondContact O-N 2.8Å; V107-A109 PolarHBondContact O-N 2.7Å; A109-Y113 WeakPolarHBondContact O-CB 3.4Å; A109-Y113 PolarHBondContact O-N 2.93Å; A109-I152 HydrophobicContact CB-CD1 4.04Å
110P85.9Confident80.9Confident73 Ų7359.9 Ų59.947%0.47433%0.334SS..Hα-helixtrans-63.8-42.1173.9-22.433.4000113.2F106 V107 Y113 V114F106-P110 WeakPolarHBondContact O-CD 3.35Å; F106-P110 WeakPolarHBondContact O-CG 3.44Å; V107-P110 WeakPolarHBondContact O-CD 3.31Å; P110-Y113 PolarHBondContact O-N 3.15Å; P110-V114 WeakPolarHBondContact O-CG2 3.45Å; P110-V114 PolarHBondContact O-N 3.48Å
111V88.4Confident82Confident80 Ų8060.3 Ų60.349%0.48533%0.334SS..Hα-helixtrans-64.3-47.1-179.6171.50000110.9V107 L108 Y113 V114 V115V107-V111 HydrophobicContact CG1-CG2 4.22Å; V107-V111 WeakPolarHBondContact O-CB 3.33Å; V107-V111 WeakPolarHBondContact O-CG2 3.38Å; V107-V111 PolarHBondContact O-N 3.22Å; L108-V111 PolarHBondContact O-N 2.8Å; V111-Y113 VanDerWaalsContact C-N 3.34Å; V111-Y113 PolarHBondContact O-N 2.94Å; V111-V114 PolarHBondContact O-N 3.06Å; V111-V115 HydrophobicContact CG1-CG2 4.39Å; V111-V115 WeakPolarHBondContact O-CB 3.38Å; V111-V115 VanDerWaalsContact O-CG2 3.27Å; V111-V115 WeakPolarHBondContact O-CG2 3.4Å; V111-V115 PolarHBondContact O-N 3.29Å
112L86.3Confident83Confident36 Ų3663.3 Ų63.319%0.18836%0.355CS..Hα-helixtrans-60.4-44.8175.3-75.7-179.2000111.2L108 V114 V115 L116 T148 I151L108-L112 HydrophobicContact CD1-CD1 3.75Å; L108-L112 HydrophobicContact CD1-CD2 4.16Å; L108-L112 HydrophobicContact CD1-CG 3.67Å; L108-L112 HydrophobicContact CD2-CD1 3.83Å; L108-L112 HydrophobicContact CG-CD1 3.51Å; L108-L112 HydrophobicContact CG-CG 3.82Å; L108-L112 VanDerWaalsContact O-CB 3.26Å; L108-L112 WeakPolarHBondContact O-CB 3.36Å; L108-L112 VanDerWaalsContact O-CG 3.27Å; L108-L112 WeakPolarHBondContact O-CG 3.37Å; L108-L112 PolarHBondContact O-N 2.87Å; L112-V114 PolarHBondContact O-N 3.46Å; L112-V115 PolarHBondContact O-N 3.25Å; L112-L116 VanDerWaalsContact O-CB 3.22Å; L112-L116 WeakPolarHBondContact O-CB 3.42Å; L112-L116 WeakPolarHBondContact O-CG 3.39Å; L112-L116 PolarHBondContact O-N 2.93Å; L112-T148 HydrophobicContact CB-CG2 4.45Å; L112-I151 HydrophobicContact CD1-CG2 3.78Å
113Y90.6Very high84Confident78 Ų7866.5 Ų66.531%0.30637%0.372SS..Hα-helixtrans-58.2-49.8177.9173.4-101.4000111.4A109 P110 V111 L116 W117 I145A109-Y113 WeakPolarHBondContact O-CB 3.4Å; A109-Y113 PolarHBondContact O-N 2.93Å; P110-Y113 PolarHBondContact O-N 3.15Å; V111-Y113 VanDerWaalsContact C-N 3.34Å; V111-Y113 PolarHBondContact O-N 2.94Å; Y113-L116 PolarHBondContact O-N 2.84Å; Y113-W117 AromaticContact CZ-CD1 3.77Å; Y113-W117 WeakPolarHBondContact O-CB 3.24Å; Y113-W117 PolarHBondContact O-N 3.25Å; Y113-I145 HydrophobicContact CD2-CG1 4.47Å; Y113-I145 HydrophobicContact CE2-CG1 3.92Å
114V92Very high85Confident83 Ų8363.3 Ų63.350%0.50336%0.355SS..Hα-helixtrans-63.2-46-179.51730000111.3P110 V111 L112 W117 C118P110-V114 WeakPolarHBondContact O-CG2 3.45Å; P110-V114 PolarHBondContact O-N 3.48Å; V111-V114 PolarHBondContact O-N 3.06Å; L112-V114 PolarHBondContact O-N 3.46Å; V114-W117 PolarHBondContact O-N 2.79Å; V114-C118 WeakPolarHBondContact O-CB 3.28Å; V114-C118 PolarHBondContact O-N 2.85Å; V114-C118 PolarHBondContact O-SG 3.26Å
115V92.4Very high85.6Confident89 Ų8965.3 Ų65.354%0.53937%0.365SS..Hα-helixtrans-62.8-45.2179.4171.20000111.2V111 L112 C118 A119V111-V115 HydrophobicContact CG1-CG2 4.39Å; V111-V115 WeakPolarHBondContact O-CB 3.38Å; V111-V115 VanDerWaalsContact O-CG2 3.27Å; V111-V115 WeakPolarHBondContact O-CG2 3.4Å; V111-V115 PolarHBondContact O-N 3.29Å; L112-V115 PolarHBondContact O-N 3.25Å; V115-C118 PolarHBondContact O-N 2.99Å; V115-A119 WeakPolarHBondContact O-CB 3.47Å; V115-A119 PolarHBondContact O-N 2.79Å
116L91.6Very high85.9Confident27 Ų2769.1 Ų69.114%0.14139%0.386CS..Hα-helixtrans-65.7-41.5177.1-72.3176.1000111.6L112 Y113 C118 A119 V120 L147 T148 I151L112-L116 VanDerWaalsContact O-CB 3.22Å; L112-L116 WeakPolarHBondContact O-CB 3.42Å; L112-L116 WeakPolarHBondContact O-CG 3.39Å; L112-L116 PolarHBondContact O-N 2.93Å; Y113-L116 PolarHBondContact O-N 2.84Å; L116-C118 PolarHBondContact O-N 3.17Å; L116-A119 PolarHBondContact O-N 2.76Å; L116-V120 VanDerWaalsContact O-CB 3.23Å; L116-V120 WeakPolarHBondContact O-CB 3.24Å; L116-V120 WeakPolarHBondContact O-CG2 3.33Å; L116-V120 PolarHBondContact O-N 3.48Å; L116-L147 HydrophobicContact CD1-CB 4.06Å; L116-L147 HydrophobicContact CD1-CD2 4Å; L116-L147 HydrophobicContact CD1-CG 3.77Å; L116-L147 HydrophobicContact CD2-CD2 3.43Å; L116-L147 VanDerWaalsContact CD2-CD2 3.43Å; L116-L147 HydrophobicContact CD2-CG 4.08Å; L116-L147 HydrophobicContact CG-CD2 4.21Å; L116-T148 WeakPolarHBondContact CD1-OG1 3.49Å; L116-I151 HydrophobicContact CD1-CD1 3.88Å
117W93.6Very high86.1Confident65 Ų6570.2 Ų70.225%0.24639%0.387CS..Hα-helixtrans-60.6-46.7176.9-166.499.5000111Y113 V114 F121 V140 S141 S144Y113-W117 AromaticContact CZ-CD1 3.77Å; Y113-W117 WeakPolarHBondContact O-CB 3.24Å; Y113-W117 PolarHBondContact O-N 3.25Å; V114-W117 PolarHBondContact O-N 2.79Å; W117-F121 HydrophobicContact CE3-CB 4.18Å; W117-F121 HydrophobicContact CH2-CB 4.48Å; W117-F121 AromaticContact CH2-CD2 3.85Å; W117-F121 HydrophobicContact CH2-CD2 3.85Å; W117-F121 HydrophobicContact CH2-CE2 4.32Å; W117-F121 HydrophobicContact CH2-CG 4.16Å; W117-F121 HydrophobicContact CZ2-CD2 4.38Å; W117-F121 HydrophobicContact CZ3-CB 4.05Å; W117-F121 HydrophobicContact CZ3-CD2 4.18Å; W117-F121 HydrophobicContact CZ3-CG 4.01Å; W117-F121 WeakPolarHBondContact O-CB 3.44Å; W117-F121 PolarHBondContact O-N 3.32Å; W117-V140 HydrophobicContact CD2-CG1 3.98Å; W117-V140 HydrophobicContact CG-CG1 4.04Å; W117-V140 HydrophobicContact CZ2-CG1 4.28Å; W117-S141 PolarHBondContact NE1-OG 3.46Å; W117-S144 VanDerWaalsContact CA-OG 3.25Å; W117-S144 WeakPolarHBondContact CA-OG 3.39Å
118C91.3Very high85.7Confident64 Ų6470 Ų7043%0.43238%0.383SS..Hα-helixtrans-60.8-47173.9-69.70000112.1V114 V115 L116 F121 S122V114-C118 WeakPolarHBondContact O-CB 3.28Å; V114-C118 PolarHBondContact O-N 2.85Å; V114-C118 PolarHBondContact O-SG 3.26Å; V115-C118 PolarHBondContact O-N 2.99Å; L116-C118 PolarHBondContact O-N 3.17Å; C118-F121 PolarHBondContact O-N 3.18Å; C118-S122 WeakPolarHBondContact O-CB 3.33Å; C118-S122 PolarHBondContact O-N 3.3Å; C118-S122 PolarHBondContact O-OG 2.92Å; C118-S122 VanDerWaalsContact O-OG 3.07Å
119A90.1Very high85.1Confident51 Ų5173.8 Ų73.842%0.42141%0.407SS..Hα-helixtrans-63.2-45.3-179.200000112.4V115 L116 T123V115-A119 WeakPolarHBondContact O-CB 3.47Å; V115-A119 PolarHBondContact O-N 2.79Å; L116-A119 PolarHBondContact O-N 2.76Å; A119-T123 WeakPolarHBondContact O-CB 3.41Å; A119-T123 PolarHBondContact O-N 2.98Å; A119-T123 PolarHBondContact O-OG1 3.45Å
120V88.6Confident83.9Confident20 Ų2078 Ų7812%0.12143%0.43CS..Hα-helixtrans-67.6-41.7178.5172.40000110.3L116 T123 L124 V140 V143L116-V120 VanDerWaalsContact O-CB 3.23Å; L116-V120 WeakPolarHBondContact O-CB 3.24Å; L116-V120 WeakPolarHBondContact O-CG2 3.33Å; L116-V120 PolarHBondContact O-N 3.48Å; V120-T123 PolarHBondContact O-N 2.81Å; V120-L124 HydrophobicContact CG1-CD1 3.47Å; V120-L124 VanDerWaalsContact CG1-CD1 3.47Å; V120-L124 WeakPolarHBondContact O-CB 3.42Å; V120-L124 PolarHBondContact O-N 3.24Å; V120-V140 HydrophobicContact CB-CG1 4.33Å; V120-V140 HydrophobicContact CG1-CB 4.27Å; V120-V140 HydrophobicContact CG1-CG1 4.01Å; V120-V140 HydrophobicContact CG1-CG2 4.23Å; V120-V143 HydrophobicContact CG1-CB 4.15Å; V120-V143 HydrophobicContact CG1-CG1 3.95Å; V120-V143 HydrophobicContact CG2-CG1 4.16Å
121F88.5Confident82.7Confident44 Ų4480.2 Ų80.219%0.19344%0.442CS..Hα-helixtrans-60.5-52.2174.3-176.5-98.1000111.7W117 C118 T123 L124 H125 L136 V140W117-F121 HydrophobicContact CE3-CB 4.18Å; W117-F121 HydrophobicContact CH2-CB 4.48Å; W117-F121 AromaticContact CH2-CD2 3.85Å; W117-F121 HydrophobicContact CH2-CD2 3.85Å; W117-F121 HydrophobicContact CH2-CE2 4.32Å; W117-F121 HydrophobicContact CH2-CG 4.16Å; W117-F121 HydrophobicContact CZ2-CD2 4.38Å; W117-F121 HydrophobicContact CZ3-CB 4.05Å; W117-F121 HydrophobicContact CZ3-CD2 4.18Å; W117-F121 HydrophobicContact CZ3-CG 4.01Å; W117-F121 WeakPolarHBondContact O-CB 3.44Å; W117-F121 PolarHBondContact O-N 3.32Å; C118-F121 PolarHBondContact O-N 3.18Å; F121-T123 PolarHBondContact O-N 3.38Å; F121-L124 PolarHBondContact O-N 3.14Å; F121-H125 HydrophobicContact CE1-CB 4.48Å; F121-H125 AromaticContact CZ-CD2 3.98Å; F121-H125 WeakPolarHBondContact O-CB 3.19Å; F121-H125 PolarHBondContact O-N 2.91Å; F121-L136 HydrophobicContact CE2-CD2 4.08Å; F121-V140 HydrophobicContact CB-CG1 3.92Å; F121-V140 HydrophobicContact CB-CG2 4.45Å; F121-V140 HydrophobicContact CD2-CG1 4.49Å; F121-V140 HydrophobicContact CD2-CG2 4.27Å
122S87.3Confident81.9Confident79 Ų7981.4 Ų81.455%0.55245%0.445SS*.Hα-helixtrans-58.8-36.3178.8-66.70000112.3C118C118-S122 WeakPolarHBondContact O-CB 3.33Å; C118-S122 PolarHBondContact O-N 3.3Å; C118-S122 PolarHBondContact O-OG 2.92Å; C118-S122 VanDerWaalsContact O-OG 3.07Å
123T85.7Confident81.6Confident82 Ų8285.6 Ų85.650%0.50346%0.46SS..Hα-helixtrans-72.8-53.3178-51.20000111A119 V120 F121 L126 Y127A119-T123 WeakPolarHBondContact O-CB 3.41Å; A119-T123 PolarHBondContact O-N 2.98Å; A119-T123 PolarHBondContact O-OG1 3.45Å; V120-T123 PolarHBondContact O-N 2.81Å; F121-T123 PolarHBondContact O-N 3.38Å; T123-L126 WeakPolarHBondContact O-CB 3.27Å; T123-L126 PolarHBondContact O-N 2.62Å; T123-Y127 HydrophobicContact CG2-CD2 4.46Å; T123-Y127 HydrophobicContact CG2-CE2 4.15Å; T123-Y127 WeakPolarHBondContact O-CD2 3.33Å
124L81.3Confident81.2Confident48 Ų4892.1 Ų92.125%0.25148%0.484SS..Hα-helixtrans-69.9-34.2-175.4-80.3158.4000113.6V120 F121 L126 Y127 I128 L136 V140V120-L124 HydrophobicContact CG1-CD1 3.47Å; V120-L124 VanDerWaalsContact CG1-CD1 3.47Å; V120-L124 WeakPolarHBondContact O-CB 3.42Å; V120-L124 PolarHBondContact O-N 3.24Å; F121-L124 PolarHBondContact O-N 3.14Å; L124-L126 PolarHBondContact O-N 2.89Å; L124-Y127 PolarHBondContact O-N 3.09Å; L124-I128 HydrophobicContact CD2-CD1 3.88Å; L124-I128 PolarHBondContact O-N 3.2Å; L124-L136 HydrophobicContact CB-CD1 3.81Å; L124-V140 HydrophobicContact CB-CG2 4.26Å; L124-V140 HydrophobicContact CD1-CG2 3.7Å
125H80.3Confident80.8Confident96 Ų9692.7 Ų92.744%0.44449%0.487SS..Hα-helixtrans-60.4-24.7175.3-176.8-83.9000112.1F121 L136F121-H125 HydrophobicContact CE1-CB 4.48Å; F121-H125 AromaticContact CZ-CD2 3.98Å; F121-H125 WeakPolarHBondContact O-CB 3.19Å; F121-H125 PolarHBondContact O-N 2.91Å; H125-L136 HydrophobicContact CB-CD2 4.37Å
126L77.6Confident80.3Confident138 Ų13888.8 Ų88.872%0.72346%0.463SS*.Hα-helixtrans-78.5-24.5177.2-154.7119.3000112.9T123 L124T123-L126 WeakPolarHBondContact O-CB 3.27Å; T123-L126 PolarHBondContact O-N 2.62Å; L124-L126 PolarHBondContact O-N 2.89Å
127Y74.3Confident80.1Confident179 Ų17989.6 Ų89.670%0.70247%0.467SS*.Hα-helixtrans-104.2-26.9-174.9-70.2-75.2000114T123 L124T123-Y127 HydrophobicContact CG2-CD2 4.46Å; T123-Y127 HydrophobicContact CG2-CE2 4.15Å; T123-Y127 WeakPolarHBondContact O-CD2 3.33Å; L124-Y127 PolarHBondContact O-N 3.09Å
128I69.6Low79.8Confident74 Ų7492.4 Ų92.438%0.37949%0.486SS..SBendtrans-101.1118-177.9-65.5173.2000109.2L124 L136L124-I128 HydrophobicContact CD2-CD1 3.88Å; L124-I128 PolarHBondContact O-N 3.2Å; I128-L136 HydrophobicContact CB-CD1 4.17Å; I128-L136 HydrophobicContact CD1-CD1 3.86Å; I128-L136 HydrophobicContact CG2-CD1 4.43Å
129T67.2Low79.5Confident110 Ų11091 Ų9168%0.67548%0.477SS*.  trans-66.9142.3173.547.90000111.2T131T129-T131 PolarHBondContact O-N 3.1Å; T129-T131 PolarHBondContact O-OG1 3.32Å
130V58.8Low79.5Confident122 Ų12288.6 Ų88.674%0.73946%0.457SS*.G310 helixtrans-58.88.2-162.9-166.50000116.6D132V130-D132 PolarHBondContact O-N 3.33Å
131T62.1Low79.6Confident119 Ų11988.8 Ų88.873%0.7346%0.46SS*.G310 helixtrans-70.5-25.4-17141.50000114.5T129T129-T131 PolarHBondContact O-N 3.1Å; T129-T131 PolarHBondContact O-OG1 3.32Å
132D71.4Confident79.7Confident105 Ų10591.4 Ų91.456%0.56148%0.475SS*.G310 helixtrans-136.772.4177.3-76.9-52.7000112.8V130 W134 V135 L136V130-D132 PolarHBondContact O-N 3.33Å; D132-W134 PolarHBondContact O-N 3.29Å; D132-V135 HydrophobicContact CB-CB 3.97Å; D132-V135 HydrophobicContact CB-CG2 3.82Å; D132-V135 WeakPolarHBondContact O-CB 3.34Å; D132-V135 PolarHBondContact O-N 2.9Å; D132-L136 PolarHBondContact O-N 3.01Å; D132-L136 VanDerWaalsContact O-N 3.13Å
133Y79.8Confident79.9Confident125 Ų12590.6 Ų90.649%0.4947%0.467SS..Hα-helixtrans-53.9-34.8179-175.4-109.1000113.8L136 I137Y133-L136 WeakPolarHBondContact O-CB 3.35Å; Y133-L136 PolarHBondContact O-N 3.33Å; Y133-I137 HydrophobicContact CD1-CD1 3.58Å; Y133-I137 HydrophobicContact CD1-CG1 4.44Å; Y133-I137 HydrophobicContact CE1-CD1 3.14Å; Y133-I137 HydrophobicContact CE1-CG1 4.12Å; Y133-I137 HydrophobicContact CE2-CD1 4.37Å; Y133-I137 HydrophobicContact CG-CD1 4.37Å; Y133-I137 WeakPolarHBondContact O-CG1 3.44Å; Y133-I137 PolarHBondContact O-N 3.27Å
134W81.9Confident80.1Confident215 Ų21586.7 Ų86.781%0.81444%0.443SS*.Hα-helixtrans-65-39.4175.9-71.9106.3000112.9D132 L136 I137 L138D132-W134 PolarHBondContact O-N 3.29Å; W134-L136 VanDerWaalsContact C-N 3.35Å; W134-I137 PolarHBondContact O-N 3.41Å; W134-L138 WeakPolarHBondContact O-CB 3.33Å; W134-L138 PolarHBondContact O-N 3.16Å
135V82.9Confident80.6Confident94 Ų9488.6 Ų88.657%0.5745%0.453SS*.Hα-helixtrans-68.9-37.7177.1177.90000110.1D132 L138 S139D132-V135 HydrophobicContact CB-CB 3.97Å; D132-V135 HydrophobicContact CB-CG2 3.82Å; D132-V135 WeakPolarHBondContact O-CB 3.34Å; D132-V135 PolarHBondContact O-N 2.9Å; V135-L138 PolarHBondContact O-N 3.05Å; V135-S139 VanDerWaalsContact O-CB 3.3Å; V135-S139 WeakPolarHBondContact O-CB 3.41Å; V135-S139 PolarHBondContact O-N 2.95Å; V135-S139 PolarHBondContact O-OG 3.38Å
136L83.6Confident81.1Confident8 Ų889.2 Ų89.24%0.04246%0.458CS..Hα-helixtrans-60.6-50.5173-176.170.7000111.4F121 L124 H125 I128 D132 Y133 W134 L138 S139 V140F121-L136 HydrophobicContact CE2-CD2 4.08Å; L124-L136 HydrophobicContact CB-CD1 3.81Å; H125-L136 HydrophobicContact CB-CD2 4.37Å; I128-L136 HydrophobicContact CB-CD1 4.17Å; I128-L136 HydrophobicContact CD1-CD1 3.86Å; I128-L136 HydrophobicContact CG2-CD1 4.43Å; D132-L136 PolarHBondContact O-N 3.01Å; D132-L136 VanDerWaalsContact O-N 3.13Å; Y133-L136 WeakPolarHBondContact O-CB 3.35Å; Y133-L136 PolarHBondContact O-N 3.33Å; W134-L136 VanDerWaalsContact C-N 3.35Å; L136-L138 VanDerWaalsContact C-N 3.34Å; L136-L138 PolarHBondContact O-N 3.23Å; L136-S139 WeakPolarHBondContact CA-OG 3.46Å; L136-S139 PolarHBondContact O-N 3.49Å; L136-S139 PolarHBondContact O-OG 3.31Å; L136-V140 HydrophobicContact CD1-CG2 4.26Å; L136-V140 HydrophobicContact CG-CG2 4.34Å; L136-V140 WeakPolarHBondContact O-CB 3.46Å; L136-V140 WeakPolarHBondContact O-CG2 3.44Å; L136-V140 PolarHBondContact O-N 3.5Å
137I85.8Confident81.6Confident44 Ų4486.1 Ų86.123%0.22644%0.442CS..Hα-helixtrans-60.6-44.8178.7-70167.3000111.5Y133 W134 S141Y133-I137 HydrophobicContact CD1-CD1 3.58Å; Y133-I137 HydrophobicContact CD1-CG1 4.44Å; Y133-I137 HydrophobicContact CE1-CD1 3.14Å; Y133-I137 HydrophobicContact CE1-CG1 4.12Å; Y133-I137 HydrophobicContact CE2-CD1 4.37Å; Y133-I137 HydrophobicContact CG-CD1 4.37Å; Y133-I137 WeakPolarHBondContact O-CG1 3.44Å; Y133-I137 PolarHBondContact O-N 3.27Å; W134-I137 PolarHBondContact O-N 3.41Å; I137-S141 VanDerWaalsContact O-CB 3.31Å; I137-S141 WeakPolarHBondContact O-CB 3.32Å; I137-S141 PolarHBondContact O-N 2.96Å; I137-S141 PolarHBondContact O-OG 2.81Å
138L87.6Confident82.3Confident123 Ų12378.1 Ų78.164%0.64441%0.412SS*.Hα-helixtrans-65.3-43.9-177.7-166.1151.7000111W134 V135 L136 S141 L142W134-L138 WeakPolarHBondContact O-CB 3.33Å; W134-L138 PolarHBondContact O-N 3.16Å; V135-L138 PolarHBondContact O-N 3.05Å; L136-L138 VanDerWaalsContact C-N 3.34Å; L136-L138 PolarHBondContact O-N 3.23Å; L138-S141 PolarHBondContact O-N 3.22Å; L138-L142 WeakPolarHBondContact O-CB 3.29Å; L138-L142 PolarHBondContact O-N 2.99Å
139S84.9Confident83.1Confident35 Ų3578.5 Ų78.525%0.24542%0.418CS..Hα-helixtrans-65.4-46.3177.158.50000112.6V135 L136 S141 L142 V143V135-S139 VanDerWaalsContact O-CB 3.3Å; V135-S139 WeakPolarHBondContact O-CB 3.41Å; V135-S139 PolarHBondContact O-N 2.95Å; V135-S139 PolarHBondContact O-OG 3.38Å; L136-S139 WeakPolarHBondContact CA-OG 3.46Å; L136-S139 PolarHBondContact O-N 3.49Å; L136-S139 PolarHBondContact O-OG 3.31Å; S139-S141 VanDerWaalsContact C-N 3.32Å; S139-S141 PolarHBondContact O-N 3.39Å; S139-L142 PolarHBondContact O-N 2.95Å; S139-V143 WeakPolarHBondContact O-CG2 3.39Å; S139-V143 PolarHBondContact O-N 3.12Å
140V90.4Very high84.1Confident0 Ų075.4 Ų75.40%040%0.404CS..Hα-helixtrans-57.9-45.8175.7168.80000110.8W117 V120 F121 L124 L136 V143 S144W117-V140 HydrophobicContact CD2-CG1 3.98Å; W117-V140 HydrophobicContact CG-CG1 4.04Å; W117-V140 HydrophobicContact CZ2-CG1 4.28Å; V120-V140 HydrophobicContact CB-CG1 4.33Å; V120-V140 HydrophobicContact CG1-CB 4.27Å; V120-V140 HydrophobicContact CG1-CG1 4.01Å; V120-V140 HydrophobicContact CG1-CG2 4.23Å; F121-V140 HydrophobicContact CB-CG1 3.92Å; F121-V140 HydrophobicContact CB-CG2 4.45Å; F121-V140 HydrophobicContact CD2-CG1 4.49Å; F121-V140 HydrophobicContact CD2-CG2 4.27Å; L124-V140 HydrophobicContact CB-CG2 4.26Å; L124-V140 HydrophobicContact CD1-CG2 3.7Å; L136-V140 HydrophobicContact CD1-CG2 4.26Å; L136-V140 HydrophobicContact CG-CG2 4.34Å; L136-V140 WeakPolarHBondContact O-CB 3.46Å; L136-V140 WeakPolarHBondContact O-CG2 3.44Å; L136-V140 PolarHBondContact O-N 3.5Å; V140-V143 PolarHBondContact O-N 2.86Å; V140-S144 VanDerWaalsContact O-CB 3.28Å; V140-S144 WeakPolarHBondContact O-CB 3.33Å; V140-S144 PolarHBondContact O-N 3.41Å; V140-S144 PolarHBondContact O-OG 2.88Å
141S91.3Very high85.4Confident25 Ų2572.1 Ų72.118%0.17538%0.381CS..Hα-helixtrans-64.8-44.3-179.8-55.50000111.3W117 I137 L138 S139 S144 I145W117-S141 PolarHBondContact NE1-OG 3.46Å; I137-S141 VanDerWaalsContact O-CB 3.31Å; I137-S141 WeakPolarHBondContact O-CB 3.32Å; I137-S141 PolarHBondContact O-N 2.96Å; I137-S141 PolarHBondContact O-OG 2.81Å; L138-S141 PolarHBondContact O-N 3.22Å; S139-S141 VanDerWaalsContact C-N 3.32Å; S139-S141 PolarHBondContact O-N 3.39Å; S141-S144 PolarHBondContact O-N 2.7Å; S141-I145 VanDerWaalsContact O-CG1 3.25Å; S141-I145 WeakPolarHBondContact O-CG1 3.49Å; S141-I145 PolarHBondContact O-N 3.39Å
142L90.8Very high86.4Confident98 Ų9869.3 Ų69.351%0.51336%0.361SS..Hα-helixtrans-60.9-49.2177.1-176.667.2000111.8L138 S139 S144 I145 L146L138-L142 WeakPolarHBondContact O-CB 3.29Å; L138-L142 PolarHBondContact O-N 2.99Å; S139-L142 PolarHBondContact O-N 2.95Å; L142-S144 VanDerWaalsContact C-N 3.31Å; L142-S144 PolarHBondContact O-N 2.98Å; L142-I145 PolarHBondContact O-N 3.44Å; L142-L146 HydrophobicContact CG-CD1 4.39Å; L142-L146 WeakPolarHBondContact O-CG 3.4Å; L142-L146 PolarHBondContact O-N 3.09Å
143V89.9Confident86.9Confident63 Ų6371.8 Ų71.838%0.38236%0.364SS..Hα-helixtrans-61.5-41.5178.4171.90000111V120 S139 V140 L146 L147V120-V143 HydrophobicContact CG1-CB 4.15Å; V120-V143 HydrophobicContact CG1-CG1 3.95Å; V120-V143 HydrophobicContact CG2-CG1 4.16Å; S139-V143 WeakPolarHBondContact O-CG2 3.39Å; S139-V143 PolarHBondContact O-N 3.12Å; V140-V143 PolarHBondContact O-N 2.86Å; V143-L146 PolarHBondContact O-N 3.34Å; V143-L147 WeakPolarHBondContact O-CB 3.43Å; V143-L147 PolarHBondContact O-N 3.27Å
144S91.4Very high87Confident0 Ų071.1 Ų71.10%037%0.367CS..Hα-helixtrans-66.3-39.7179.3-56.60000112.1W117 V140 S141 L142 T148W117-S144 VanDerWaalsContact CA-OG 3.25Å; W117-S144 WeakPolarHBondContact CA-OG 3.39Å; V140-S144 VanDerWaalsContact O-CB 3.28Å; V140-S144 WeakPolarHBondContact O-CB 3.33Å; V140-S144 PolarHBondContact O-N 3.41Å; V140-S144 PolarHBondContact O-OG 2.88Å; S141-S144 PolarHBondContact O-N 2.7Å; L142-S144 VanDerWaalsContact C-N 3.31Å; L142-S144 PolarHBondContact O-N 2.98Å; S144-T148 VanDerWaalsContact O-CB 3.26Å; S144-T148 WeakPolarHBondContact O-CB 3.37Å; S144-T148 PolarHBondContact O-N 3.3Å; S144-T148 PolarHBondContact O-OG1 2.59Å
145I90.7Very high86.7Confident88 Ų8862.9 Ų62.945%0.45134%0.339SS..Hα-helixtrans-62.6-46.8173.5-70166.1000110.4Y113 S141 L142 L147 T148 T149Y113-I145 HydrophobicContact CD2-CG1 4.47Å; Y113-I145 HydrophobicContact CE2-CG1 3.92Å; S141-I145 VanDerWaalsContact O-CG1 3.25Å; S141-I145 WeakPolarHBondContact O-CG1 3.49Å; S141-I145 PolarHBondContact O-N 3.39Å; L142-I145 PolarHBondContact O-N 3.44Å; I145-L147 PolarHBondContact O-N 2.96Å; I145-T148 PolarHBondContact O-N 3.47Å; I145-T149 VanDerWaalsContact O-CB 3.31Å; I145-T149 WeakPolarHBondContact O-CB 3.4Å; I145-T149 PolarHBondContact O-N 2.9Å; I145-T149 PolarHBondContact O-OG1 3.44Å
146L90.8Very high86.4Confident108 Ų10864.1 Ų64.157%0.56534%0.339SS*.Hα-helixtrans-60.9-45.7179.1-70.9174.4000111.5L142 V143 T149 A150L142-L146 HydrophobicContact CG-CD1 4.39Å; L142-L146 WeakPolarHBondContact O-CG 3.4Å; L142-L146 PolarHBondContact O-N 3.09Å; V143-L146 PolarHBondContact O-N 3.34Å; L146-T149 PolarHBondContact O-N 3.09Å; L146-A150 WeakPolarHBondContact O-CB 3.47Å; L146-A150 PolarHBondContact O-N 3.36Å
147L88.8Confident85.9Confident74 Ų7468.4 Ų68.439%0.38736%0.358SS..Hα-helixtrans-68.3-41.6-179.9-17258.4000112L116 V143 I145 T149 A150 I151L116-L147 HydrophobicContact CD1-CB 4.06Å; L116-L147 HydrophobicContact CD1-CD2 4Å; L116-L147 HydrophobicContact CD1-CG 3.77Å; L116-L147 HydrophobicContact CD2-CD2 3.43Å; L116-L147 VanDerWaalsContact CD2-CD2 3.43Å; L116-L147 HydrophobicContact CD2-CG 4.08Å; L116-L147 HydrophobicContact CG-CD2 4.21Å; V143-L147 WeakPolarHBondContact O-CB 3.43Å; V143-L147 PolarHBondContact O-N 3.27Å; I145-L147 PolarHBondContact O-N 2.96Å; L147-T149 VanDerWaalsContact C-N 3.33Å; L147-T149 PolarHBondContact O-N 2.88Å; L147-A150 PolarHBondContact O-N 2.89Å; L147-I151 HydrophobicContact CG-CD1 4.44Å; L147-I151 WeakPolarHBondContact O-CG1 3.33Å; L147-I151 PolarHBondContact O-N 2.91Å
148T88.8Confident85.2Confident11 Ų1168.1 Ų68.17%0.06736%0.36CS..Hα-helixtrans-60.4-44.8173.9-550000110.6L112 L116 S144 I145 A150 I151 I152L112-T148 HydrophobicContact CB-CG2 4.45Å; L116-T148 WeakPolarHBondContact CD1-OG1 3.49Å; S144-T148 VanDerWaalsContact O-CB 3.26Å; S144-T148 WeakPolarHBondContact O-CB 3.37Å; S144-T148 PolarHBondContact O-N 3.3Å; S144-T148 PolarHBondContact O-OG1 2.59Å; I145-T148 PolarHBondContact O-N 3.47Å; T148-A150 PolarHBondContact O-N 2.93Å; T148-I151 PolarHBondContact O-N 2.63Å; T148-I152 HydrophobicContact CG2-CD1 3.91Å; T148-I152 VanDerWaalsContact O-CG1 3.3Å; T148-I152 WeakPolarHBondContact O-CG1 3.43Å; T148-I152 PolarHBondContact O-N 3.38Å
149T87.1Confident84.4Confident82 Ų8262.8 Ų62.850%0.50333%0.332SS..Hα-helixtrans-63.1-42.3177.7-55.40000111.3I145 L146 L147 I152 Y153I145-T149 VanDerWaalsContact O-CB 3.31Å; I145-T149 WeakPolarHBondContact O-CB 3.4Å; I145-T149 PolarHBondContact O-N 2.9Å; I145-T149 PolarHBondContact O-OG1 3.44Å; L146-T149 PolarHBondContact O-N 3.09Å; L147-T149 VanDerWaalsContact C-N 3.33Å; L147-T149 PolarHBondContact O-N 2.88Å; T149-I152 PolarHBondContact O-N 3.35Å; T149-Y153 VanDerWaalsContact O-CB 3.29Å; T149-Y153 WeakPolarHBondContact O-CB 3.45Å; T149-Y153 PolarHBondContact O-N 3.34Å
150A87.9Confident83.7Confident45 Ų4567.3 Ų67.337%0.37235%0.347SS..Hα-helixtrans-61.7-43.8176.700000111.9L146 L147 T148 Y153 I154L146-A150 WeakPolarHBondContact O-CB 3.47Å; L146-A150 PolarHBondContact O-N 3.36Å; L147-A150 PolarHBondContact O-N 2.89Å; T148-A150 PolarHBondContact O-N 2.93Å; A150-Y153 PolarHBondContact O-N 2.88Å; A150-I154 VanDerWaalsContact O-CG1 3.27Å; A150-I154 WeakPolarHBondContact O-CG1 3.39Å; A150-I154 PolarHBondContact O-N 3.42Å
151I86.2Confident82.8Confident52 Ų5273.2 Ų73.227%0.26738%0.375SS..Hα-helixtrans-64.2-46.6176.8-65.6169.2000110.9L112 L116 L147 T148 Y153 I154 L155L112-I151 HydrophobicContact CD1-CG2 3.78Å; L116-I151 HydrophobicContact CD1-CD1 3.88Å; L147-I151 HydrophobicContact CG-CD1 4.44Å; L147-I151 WeakPolarHBondContact O-CG1 3.33Å; L147-I151 PolarHBondContact O-N 2.91Å; T148-I151 PolarHBondContact O-N 2.63Å; I151-Y153 VanDerWaalsContact C-N 3.27Å; I151-Y153 PolarHBondContact O-N 3.24Å; I151-I154 PolarHBondContact O-N 3.11Å; I151-L155 HydrophobicContact CG2-CD1 4.11Å; I151-L155 HydrophobicContact CG2-CG 4.48Å; I151-L155 WeakPolarHBondContact O-CG 3.4Å; I151-L155 PolarHBondContact O-N 3.46Å
152I82.6Confident81.7Confident61 Ų6173.8 Ų73.831%0.31338%0.376SS..Hα-helixtrans-59.4-41.4176.6-68.2168.8000110.6A109 T148 T149 L155 H156A109-I152 HydrophobicContact CB-CD1 4.04Å; T148-I152 HydrophobicContact CG2-CD1 3.91Å; T148-I152 VanDerWaalsContact O-CG1 3.3Å; T148-I152 WeakPolarHBondContact O-CG1 3.43Å; T148-I152 PolarHBondContact O-N 3.38Å; T149-I152 PolarHBondContact O-N 3.35Å; I152-L155 PolarHBondContact O-N 2.87Å; I152-H156 WeakPolarHBondContact O-CB 3.45Å; I152-H156 PolarHBondContact O-N 3.19Å
153Y82.1Confident80.9Confident156 Ų15670.3 Ų70.361%0.61236%0.358SS*.Hα-helixtrans-63.5-44.5177.2-179.4-95.4000112.2T149 A150 I151 L155 H156 H157T149-Y153 VanDerWaalsContact O-CB 3.29Å; T149-Y153 WeakPolarHBondContact O-CB 3.45Å; T149-Y153 PolarHBondContact O-N 3.34Å; A150-Y153 PolarHBondContact O-N 2.88Å; I151-Y153 VanDerWaalsContact C-N 3.27Å; I151-Y153 PolarHBondContact O-N 3.24Å; Y153-L155 VanDerWaalsContact C-N 3.35Å; Y153-L155 PolarHBondContact O-N 3.28Å; Y153-H156 PolarHBondContact O-N 3.34Å; Y153-H157 WeakPolarHBondContact O-CB 3.47Å; Y153-H157 PolarHBondContact O-N 3.14Å
154I82.3Confident80.2Confident111 Ų11169.3 Ų69.357%0.56935%0.35SS*.Hα-helixtrans-61-45.4175.9-69.2164.2000110.4A150 I151 H156 H157 S158A150-I154 VanDerWaalsContact O-CG1 3.27Å; A150-I154 WeakPolarHBondContact O-CG1 3.39Å; A150-I154 PolarHBondContact O-N 3.42Å; I151-I154 PolarHBondContact O-N 3.11Å; I154-H156 PolarHBondContact O-N 3.44Å; I154-H157 PolarHBondContact O-N 2.85Å; I154-S158 WeakPolarHBondContact O-CB 3.49Å; I154-S158 PolarHBondContact O-N 3.09Å; I154-S158 PolarHBondContact O-OG 3.14Å
155L75.9Confident79.7Confident42 Ų4271 Ų7122%0.2236%0.359CS..Hα-helixtrans-59.3-47.5175.9-71.7172.5000110.8L108 I151 I152 Y153 H157 S158 N159L108-L155 HydrophobicContact CD2-CD1 3.49Å; L108-L155 VanDerWaalsContact CD2-CD1 3.49Å; I151-L155 HydrophobicContact CG2-CD1 4.11Å; I151-L155 HydrophobicContact CG2-CG 4.48Å; I151-L155 WeakPolarHBondContact O-CG 3.4Å; I151-L155 PolarHBondContact O-N 3.46Å; I152-L155 PolarHBondContact O-N 2.87Å; Y153-L155 VanDerWaalsContact C-N 3.35Å; Y153-L155 PolarHBondContact O-N 3.28Å; L155-H157 VanDerWaalsContact C-N 3.34Å; L155-H157 PolarHBondContact O-N 2.88Å; L155-S158 PolarHBondContact O-N 2.83Å; L155-S158 PolarHBondContact O-OG 2.86Å; L155-N159 VanDerWaalsContact O-CB 3.31Å; L155-N159 WeakPolarHBondContact O-CB 3.31Å; L155-N159 PolarHBondContact O-N 2.86Å; L155-N159 PolarHBondContact O-OD1 2.94Å
156H75.4Confident79.2Confident120 Ų12066.9 Ų66.956%0.55634%0.338SS*.Hα-helixtrans-61.8-39.2177.2-177.8-86.2000112.7I152 Y153 I154 N159 K160I152-H156 WeakPolarHBondContact O-CB 3.45Å; I152-H156 PolarHBondContact O-N 3.19Å; Y153-H156 PolarHBondContact O-N 3.34Å; I154-H156 PolarHBondContact O-N 3.44Å; H156-N159 WeakPolarHBondContact O-CB 3.26Å; H156-N159 PolarHBondContact O-N 2.98Å; H156-K160 PolarHBondContact O-N 3.44Å
157H72.4Confident78.9Confident99 Ų9962.5 Ų62.546%0.45832%0.315SS..Hα-helixtrans-65.8-45.8175.5-172.8-82.2000111.5Y153 I154 L155 N159 K160 E161Y153-H157 WeakPolarHBondContact O-CB 3.47Å; Y153-H157 PolarHBondContact O-N 3.14Å; I154-H157 PolarHBondContact O-N 2.85Å; L155-H157 VanDerWaalsContact C-N 3.34Å; L155-H157 PolarHBondContact O-N 2.88Å; H157-N159 VanDerWaalsContact C-N 3.25Å; H157-N159 PolarHBondContact O-N 3.01Å; H157-K160 WeakPolarHBondContact O-CB 3.17Å; H157-K160 PolarHBondContact O-N 3.01Å; H157-K160 VanDerWaalsContact O-N 3.11Å; H157-E161 PolarHBondContact O-N 3.17Å; H157-E161 VanDerWaalsContact O-N 3.1Å
158S71.3Confident78.6Confident38 Ų3859.2 Ų59.227%0.26630%0.298SS..Hα-helixtrans-61.2-37.2176.176.40000111.6I154 L155 K160 E161 I162I154-S158 WeakPolarHBondContact O-CB 3.49Å; I154-S158 PolarHBondContact O-N 3.09Å; I154-S158 PolarHBondContact O-OG 3.14Å; L155-S158 PolarHBondContact O-N 2.83Å; L155-S158 PolarHBondContact O-OG 2.86Å; S158-K160 VanDerWaalsContact C-N 3.34Å; S158-K160 PolarHBondContact O-N 2.88Å; S158-E161 PolarHBondContact O-N 3.23Å; S158-I162 VanDerWaalsContact O-CG1 3.29Å; S158-I162 WeakPolarHBondContact O-CG1 3.38Å; S158-I162 PolarHBondContact O-N 3.35Å
159N70.8Confident78.4Confident10 Ų1061 Ų615%0.05330%0.303CS..Hα-helixtrans-60.8-42.7174.1-78.41.5000111.6Y96 L155 H156 H157 I162 N163Y96-N159 HydrophobicContact CD2-CB 4.1Å; Y96-N159 WeakPolarHBondContact CD2-OD1 3.04Å; Y96-N159 VanDerWaalsContact CE2-CA 3.5Å; Y96-N159 HydrophobicContact CE2-CB 3.47Å; Y96-N159 VanDerWaalsContact CE2-CB 3.47Å; Y96-N159 VanDerWaalsContact CE2-CG 3.46Å; L155-N159 VanDerWaalsContact O-CB 3.31Å; L155-N159 WeakPolarHBondContact O-CB 3.31Å; L155-N159 PolarHBondContact O-N 2.86Å; L155-N159 PolarHBondContact O-OD1 2.94Å; H156-N159 WeakPolarHBondContact O-CB 3.26Å; H156-N159 PolarHBondContact O-N 2.98Å; H157-N159 VanDerWaalsContact C-N 3.25Å; H157-N159 PolarHBondContact O-N 3.01Å; N159-I162 PolarHBondContact O-N 3.3Å; N159-N163 WeakPolarHBondContact O-CB 3.34Å; N159-N163 PolarHBondContact O-N 2.88Å
160K71Confident78.4Confident130 Ų13057.1 Ų57.157%0.56528%0.279SS*.Hα-helixtrans-62.8-42.6176.5-175-175.7176.3-172.50111.8H156 H157 S158 N163 I164H156-K160 PolarHBondContact O-N 3.44Å; H157-K160 WeakPolarHBondContact O-CB 3.17Å; H157-K160 PolarHBondContact O-N 3.01Å; H157-K160 VanDerWaalsContact O-N 3.11Å; S158-K160 VanDerWaalsContact C-N 3.34Å; S158-K160 PolarHBondContact O-N 2.88Å; K160-N163 PolarHBondContact O-N 3.36Å; K160-I164 HydrophobicContact CG-CD1 4.44Å; K160-I164 WeakPolarHBondContact O-CG1 3.41Å; K160-I164 PolarHBondContact O-N 3.06Å; K160-I164 VanDerWaalsContact O-N 3.15Å
161E70.6Confident78.4Confident125 Ų12555.4 Ų55.458%0.58426%0.264SS*.Hα-helixtrans-65.7-44178-172.1179.4170.800111.8H157 S158 N163 I164 N165H157-E161 PolarHBondContact O-N 3.17Å; H157-E161 VanDerWaalsContact O-N 3.1Å; S158-E161 PolarHBondContact O-N 3.23Å; E161-N163 VanDerWaalsContact C-N 3.32Å; E161-N163 PolarHBondContact O-N 3.27Å; E161-I164 PolarHBondContact O-N 3.29Å; E161-N165 PolarHBondContact O-N 2.88Å
162I69.3Low78.5Confident37 Ų3757.7 Ų57.719%0.1927%0.274CS..Hα-helixtrans-65.2-38.4177.5-62.4166.9000110.8Y96 S158 N159 I164 N165 I166Y96-I162 HydrophobicContact CD1-CB 4.39Å; Y96-I162 HydrophobicContact CD1-CG2 3.7Å; Y96-I162 HydrophobicContact CD2-CB 4.11Å; Y96-I162 HydrophobicContact CD2-CD1 4.24Å; Y96-I162 HydrophobicContact CD2-CG2 4.18Å; Y96-I162 HydrophobicContact CE1-CG2 4.45Å; Y96-I162 HydrophobicContact CG-CB 3.96Å; Y96-I162 HydrophobicContact CG-CD1 4.28Å; Y96-I162 HydrophobicContact CG-CG2 3.51Å; S158-I162 VanDerWaalsContact O-CG1 3.29Å; S158-I162 WeakPolarHBondContact O-CG1 3.38Å; S158-I162 PolarHBondContact O-N 3.35Å; N159-I162 PolarHBondContact O-N 3.3Å; I162-I164 VanDerWaalsContact C-N 3.33Å; I162-I164 PolarHBondContact O-N 2.97Å; I162-N165 WeakPolarHBondContact O-CB 3.5Å; I162-N165 PolarHBondContact O-N 3.3Å; I162-N165 VanDerWaalsContact O-N 3.16Å; I162-I166 HydrophobicContact CG2-CD1 4.11Å; I162-I166 HydrophobicContact CG2-CG1 4.38Å; I162-I166 WeakPolarHBondContact O-CG1 3.36Å; I162-I166 PolarHBondContact O-N 3.26Å
163N74.6Confident78.8Confident24 Ų2454.9 Ų54.913%0.12826%0.259CS..Hα-helixtrans-59.7-43174.5-174.869.3000112.3N159 K160 E161 N165 I166 D167 K317N159-N163 WeakPolarHBondContact O-CB 3.34Å; N159-N163 PolarHBondContact O-N 2.88Å; K160-N163 PolarHBondContact O-N 3.36Å; E161-N163 VanDerWaalsContact C-N 3.32Å; E161-N163 PolarHBondContact O-N 3.27Å; N163-N165 VanDerWaalsContact C-N 3.33Å; N163-N165 PolarHBondContact O-N 3.48Å; N163-I166 PolarHBondContact O-N 2.97Å; N163-D167 PolarHBondContact ND2-OD2 2.91Å; N163-D167 PolarHBondContact O-N 3.28Å; N163-K317 PolarHBondContact ND2-NZ 2.99Å; N163-K317 PolarHBondContact OD1-NZ 2.71Å
164I75.3Confident79.2Confident42 Ų4247.4 Ų47.422%0.21523%0.23CC..Hα-helixtrans-63.2-41.3175-67.4163.1000110.7K160 E161 I162 I166 D167 V168 L238K160-I164 HydrophobicContact CG-CD1 4.44Å; K160-I164 WeakPolarHBondContact O-CG1 3.41Å; K160-I164 PolarHBondContact O-N 3.06Å; K160-I164 VanDerWaalsContact O-N 3.15Å; E161-I164 PolarHBondContact O-N 3.29Å; I162-I164 VanDerWaalsContact C-N 3.33Å; I162-I164 PolarHBondContact O-N 2.97Å; I164-I166 VanDerWaalsContact C-N 3.33Å; I164-I166 PolarHBondContact O-N 3.45Å; I164-D167 PolarHBondContact O-N 2.87Å; I164-V168 HydrophobicContact CG2-CG2 4.33Å; I164-V168 WeakPolarHBondContact O-CB 3.27Å; I164-V168 VanDerWaalsContact O-CG2 3.27Å; I164-V168 WeakPolarHBondContact O-CG2 3.42Å; I164-V168 PolarHBondContact O-N 2.97Å; I164-L238 HydrophobicContact CG2-CD2 3.77Å
165N79.6Confident79.6Confident35 Ų3546.5 Ų46.519%0.18722%0.223CC..Hα-helixtrans-63.9-36.3176.6179.833.7000112.4E161 I162 N163 R169E161-N165 PolarHBondContact O-N 2.88Å; I162-N165 WeakPolarHBondContact O-CB 3.5Å; I162-N165 PolarHBondContact O-N 3.3Å; I162-N165 VanDerWaalsContact O-N 3.16Å; N163-N165 VanDerWaalsContact C-N 3.33Å; N163-N165 PolarHBondContact O-N 3.48Å; N165-R169 WeakPolarHBondContact O-CD 3.4Å; N165-R169 VanDerWaalsContact O-CG 3.24Å; N165-R169 WeakPolarHBondContact O-CG 3.43Å; N165-R169 PolarHBondContact O-N 2.97Å; N165-R169 PolarHBondContact OD1-NE 2.98Å
166I80.8Confident80.2Confident2 Ų248.4 Ų48.41%0.0123%0.227CC..Hα-helixtrans-63.6-50.4171.9-66.3164.1000109.8L88 V93 Y96 I162 N163 I164 V168 R169 L170 V186L88-I166 HydrophobicContact CD2-CG2 4.1Å; V93-I166 HydrophobicContact CB-CG1 4.43Å; V93-I166 HydrophobicContact CG1-CD1 3.76Å; V93-I166 HydrophobicContact CG1-CG1 3.83Å; V93-I166 HydrophobicContact CG2-CD1 4.42Å; V93-I166 HydrophobicContact CG2-CG1 3.8Å; Y96-I166 HydrophobicContact CD1-CD1 3.65Å; Y96-I166 HydrophobicContact CE1-CD1 3.75Å; I162-I166 HydrophobicContact CG2-CD1 4.11Å; I162-I166 HydrophobicContact CG2-CG1 4.38Å; I162-I166 WeakPolarHBondContact O-CG1 3.36Å; I162-I166 PolarHBondContact O-N 3.26Å; N163-I166 PolarHBondContact O-N 2.97Å; I164-I166 VanDerWaalsContact C-N 3.33Å; I164-I166 PolarHBondContact O-N 3.45Å; I166-V168 PolarHBondContact O-N 3.27Å; I166-R169 PolarHBondContact O-N 2.97Å; I166-R169 VanDerWaalsContact O-N 3.1Å; I166-L170 HydrophobicContact CG2-CD1 3.81Å; I166-L170 HydrophobicContact CG2-CG 4.23Å; I166-L170 WeakPolarHBondContact O-CG 3.48Å; I166-L170 PolarHBondContact O-N 3.39Å; I166-V186 HydrophobicContact CG2-CB 4.42Å; I166-V186 HydrophobicContact CG2-CG2 4.42Å
167D83.8Confident80.8Confident17 Ų1742.7 Ų42.79%0.09120%0.201CC..Hα-helixtrans-56.5-41.9178.7-69.9-27.6000111.1N163 I164 L170 I171 A313N163-D167 PolarHBondContact ND2-OD2 2.91Å; N163-D167 PolarHBondContact O-N 3.28Å; I164-D167 PolarHBondContact O-N 2.87Å; D167-L170 PolarHBondContact O-N 2.93Å; D167-I171 WeakPolarHBondContact O-CG1 3.32Å; D167-I171 PolarHBondContact O-N 3.11Å; D167-A313 HydrophobicContact CB-CB 4.28Å
168V82.3Confident81.5Confident4 Ų439 Ų392%0.02418%0.184CC..Hα-helixtrans-64.8-40.5176.8164.10000112.5I164 I166 L170 I171 L238 L240 L292I164-V168 HydrophobicContact CG2-CG2 4.33Å; I164-V168 WeakPolarHBondContact O-CB 3.27Å; I164-V168 VanDerWaalsContact O-CG2 3.27Å; I164-V168 WeakPolarHBondContact O-CG2 3.42Å; I164-V168 PolarHBondContact O-N 2.97Å; I166-V168 PolarHBondContact O-N 3.27Å; V168-L170 VanDerWaalsContact C-N 3.34Å; V168-I171 HydrophobicContact CB-CD1 4.45Å; V168-I171 HydrophobicContact CG2-CD1 4.48Å; V168-I171 VanDerWaalsContact O-CB 3.28Å; V168-I171 WeakPolarHBondContact O-CB 3.44Å; V168-I171 WeakPolarHBondContact O-CG1 3.44Å; V168-I171 PolarHBondContact O-N 3.41Å; V168-L238 HydrophobicContact CG2-CD2 4.32Å; V168-L240 HydrophobicContact CG1-CB 3.73Å; V168-L240 HydrophobicContact CG1-CD1 3.45Å; V168-L240 VanDerWaalsContact CG1-CD1 3.45Å; V168-L240 HydrophobicContact CG1-CG 4.19Å; V168-L292 HydrophobicContact CB-CD1 4.24Å; V168-L292 HydrophobicContact CG1-CD1 3.78Å; V168-L292 HydrophobicContact CG2-CD1 3.64Å
169R84.4Confident82.4Confident49 Ų4944.6 Ų44.619%0.18520%0.204CC..Hα-helixtrans-68.9-34.9175.5-72.8164.1172.6-89.9-8.2112.2A87 N165 I166 I171 Q172A87-R169 HydrophobicContact CB-CB 3.99Å; N165-R169 WeakPolarHBondContact O-CD 3.4Å; N165-R169 VanDerWaalsContact O-CG 3.24Å; N165-R169 WeakPolarHBondContact O-CG 3.43Å; N165-R169 PolarHBondContact O-N 2.97Å; N165-R169 PolarHBondContact OD1-NE 2.98Å; I166-R169 PolarHBondContact O-N 2.97Å; I166-R169 VanDerWaalsContact O-N 3.1Å; R169-I171 PolarHBondContact O-N 3.12Å; R169-Q172 PolarHBondContact O-N 3.03Å
170L88.5Confident83.2Confident0 Ų046.4 Ų46.40%021%0.212CC..Hα-helixtrans-68.7-17176.7-71.5173.8000112.9L84 L88 I166 D167 V168 Q172 V173 N174 V184 V186 A313L84-L170 HydrophobicContact CD1-CD2 4.04Å; L88-L170 HydrophobicContact CD2-CD2 4.49Å; I166-L170 HydrophobicContact CG2-CD1 3.81Å; I166-L170 HydrophobicContact CG2-CG 4.23Å; I166-L170 WeakPolarHBondContact O-CG 3.48Å; I166-L170 PolarHBondContact O-N 3.39Å; D167-L170 PolarHBondContact O-N 2.93Å; V168-L170 VanDerWaalsContact C-N 3.34Å; L170-Q172 VanDerWaalsContact C-N 3.28Å; L170-Q172 PolarHBondContact O-N 3.47Å; L170-V173 HydrophobicContact CD2-CB 4.39Å; L170-V173 HydrophobicContact CD2-CG2 4.09Å; L170-V173 WeakPolarHBondContact O-CB 3.42Å; L170-V173 PolarHBondContact O-N 2.88Å; L170-N174 WeakPolarHBondContact O-CB 3.4Å; L170-N174 PolarHBondContact O-N 3.4Å; L170-V184 HydrophobicContact CD2-CG1 4.34Å; L170-V186 HydrophobicContact CD1-CB 4.47Å; L170-V186 HydrophobicContact CD1-CG2 4.04Å; L170-A313 HydrophobicContact CB-CB 3.64Å; L170-A313 HydrophobicContact CD1-CB 3.96Å; L170-A313 HydrophobicContact CG-CB 4.48Å
171I88.5Confident84.2Confident10 Ų1044.3 Ų44.35%0.05120%0.203CC..Hα-helixtrans-54.8-47170.9-60172000110.2D167 V168 R169 V173 N174 E175 L292 M309 T310D167-I171 WeakPolarHBondContact O-CG1 3.32Å; D167-I171 PolarHBondContact O-N 3.11Å; V168-I171 HydrophobicContact CB-CD1 4.45Å; V168-I171 HydrophobicContact CG2-CD1 4.48Å; V168-I171 VanDerWaalsContact O-CB 3.28Å; V168-I171 WeakPolarHBondContact O-CB 3.44Å; V168-I171 WeakPolarHBondContact O-CG1 3.44Å; V168-I171 PolarHBondContact O-N 3.41Å; R169-I171 PolarHBondContact O-N 3.12Å; I171-V173 VanDerWaalsContact C-N 3.31Å; I171-V173 PolarHBondContact O-N 3.26Å; I171-N174 PolarHBondContact O-N 2.88Å; I171-E175 WeakPolarHBondContact O-CG 3.45Å; I171-E175 PolarHBondContact O-N 3.47Å; I171-L292 HydrophobicContact CD1-CD1 3.54Å; I171-L292 HydrophobicContact CD1-CD2 4.14Å; I171-L292 HydrophobicContact CD1-CG 4.46Å; I171-M309 HydrophobicContact CG2-CB 4Å; I171-T310 HydrophobicContact CD1-CG2 4.08Å
172Q86.9Confident85.2Confident100 Ų10038.4 Ų38.447%0.46718%0.175SC..Hα-helixtrans-65.7-35.4-179.4-170.9-178.827.100112.3R169 L170R169-Q172 PolarHBondContact O-N 3.03Å; L170-Q172 VanDerWaalsContact C-N 3.28Å; L170-Q172 PolarHBondContact O-N 3.47Å
173V88.8Confident86.3Confident1 Ų136.6 Ų36.61%0.00617%0.166CC..Hα-helixtrans-65.6-47.8174.2-176.60000109.4P83 L84 A87 L170 I171 E175 R176 M177 V184P83-V173 HydrophobicContact CB-CG2 4.09Å; L84-V173 HydrophobicContact CD1-CG1 4.39Å; A87-V173 HydrophobicContact CB-CG2 3.93Å; L170-V173 HydrophobicContact CD2-CB 4.39Å; L170-V173 HydrophobicContact CD2-CG2 4.09Å; L170-V173 WeakPolarHBondContact O-CB 3.42Å; L170-V173 PolarHBondContact O-N 2.88Å; I171-V173 VanDerWaalsContact C-N 3.31Å; I171-V173 PolarHBondContact O-N 3.26Å; V173-E175 PolarHBondContact O-N 3.47Å; V173-R176 PolarHBondContact O-N 2.92Å; V173-R176 VanDerWaalsContact O-N 3.11Å; V173-M177 HydrophobicContact CG1-CG 4.03Å; V173-M177 VanDerWaalsContact O-CG 3.31Å; V173-M177 WeakPolarHBondContact O-CG 3.39Å; V173-M177 PolarHBondContact O-N 2.85Å; V173-V184 HydrophobicContact CG1-CB 4.39Å; V173-V184 HydrophobicContact CG1-CG2 4.17Å
174N91.9Very high87.2Confident0 Ų035.5 Ų35.50%016%0.16CC..Hα-helixtrans-64.8-37.3-178.6-73.1-15.9000111.9L170 I171 R176 M177 M178 V184 S312L170-N174 WeakPolarHBondContact O-CB 3.4Å; L170-N174 PolarHBondContact O-N 3.4Å; I171-N174 PolarHBondContact O-N 2.88Å; N174-R176 PolarHBondContact O-N 3.43Å; N174-M177 PolarHBondContact O-N 3.39Å; N174-M178 VanDerWaalsContact O-CB 3.29Å; N174-M178 WeakPolarHBondContact O-CB 3.3Å; N174-M178 WeakPolarHBondContact O-CG 3.24Å; N174-M178 PolarHBondContact O-N 3.24Å; N174-V184 PolarHBondContact ND2-O 3.02Å; N174-V184 WeakPolarHBondContact OD1-CA 3.26Å; N174-V184 VanDerWaalsContact OD1-CB 3.25Å; N174-V184 WeakPolarHBondContact OD1-CB 3.49Å; N174-V184 PolarHBondContact OD1-N 2.73Å; N174-V184 PolarHBondContact OD1-O 2.95Å; N174-S312 PolarHBondContact ND2-OG 3.5Å
175E89.7Confident87.9Confident91 Ų9133.5 Ų33.543%0.42515%0.149SC..Hα-helixtrans-55.2-35.9173-78.4178.9170.100113.2I171 V173 M309I171-E175 WeakPolarHBondContact O-CG 3.45Å; I171-E175 PolarHBondContact O-N 3.47Å; V173-E175 PolarHBondContact O-N 3.47Å; E175-M309 HydrophobicContact CG-CB 4.36Å; E175-M309 HydrophobicContact CG-CG 3.91Å; E175-M309 HydrophobicContact CG-SD 4.15Å
176R88.1Confident88.3Confident83 Ų8332 Ų3231%0.31314%0.142SC..Hα-helixtrans-80-43.1175.8-60.5-174.7-171.3-176.94.3111.8R78 D79 V173 N174 M178 K179R78-R176 PolarHBondContact O-NH1 3.19Å; D79-R176 HydrophobicContact CB-CB 4.41Å; V173-R176 PolarHBondContact O-N 2.92Å; V173-R176 VanDerWaalsContact O-N 3.11Å; N174-R176 PolarHBondContact O-N 3.43Å; R176-M178 VanDerWaalsContact C-N 3.31Å; R176-M178 PolarHBondContact O-N 2.99Å; R176-K179 WeakPolarHBondContact O-CB 3.31Å; R176-K179 PolarHBondContact O-N 3.22Å
177M87.6Confident88.4Confident0 Ų032 Ų320%014%0.142CC..Hα-helixtrans-71-24.4-177.3-65.8-75.577.400114.1I75 D79 L80 V173 N174 K179 H180 K181 L182 V184I75-M177 HydrophobicContact CG2-CE 3.54Å; I75-M177 HydrophobicContact CG2-SD 4.45Å; D79-M177 HydrophobicContact CB-CE 3.7Å; D79-M177 VanDerWaalsContact O-CE 3.25Å; D79-M177 WeakPolarHBondContact O-CE 3.47Å; L80-M177 HydrophobicContact CB-CE 4.06Å; L80-M177 HydrophobicContact CB-SD 3.93Å; L80-M177 HydrophobicContact CD1-SD 3.47Å; L80-M177 WeakPolarHBondContact CD1-SD 3.31Å; L80-M177 HydrophobicContact CG-SD 4.27Å; V173-M177 HydrophobicContact CG1-CG 4.03Å; V173-M177 VanDerWaalsContact O-CG 3.31Å; V173-M177 WeakPolarHBondContact O-CG 3.39Å; V173-M177 PolarHBondContact O-N 2.85Å; N174-M177 PolarHBondContact O-N 3.39Å; M177-K179 PolarHBondContact O-N 3.46Å; M177-H180 CarbonylContact O-C 3.58Å; M177-H180 WeakPolarHBondContact O-CA 3.34Å; M177-H180 WeakPolarHBondContact O-CB 3.22Å; M177-H180 PolarHBondContact O-N 3.24Å; M177-K181 PolarHBondContact O-N 3.48Å; M177-L182 CarbonylContact C-O 3.43Å; M177-L182 VanDerWaalsContact C-O 3.23Å; M177-L182 HydrophobicContact CB-CB 4.37Å; M177-L182 WeakPolarHBondContact CB-O 3.39Å; M177-L182 PolarHBondContact O-N 3.41Å; M177-V184 HydrophobicContact CB-CG2 4.34Å; M177-V184 HydrophobicContact CG-CG2 3.93Å
178M88.8Confident88.1Confident20 Ų2032.9 Ų32.910%0.09915%0.146CC..G310 helixtrans-64.5-25.6176.8-78.4-58.1-36.500113.3N174 R176 H180 K181 L182 M183 W204 M206 M309N174-M178 VanDerWaalsContact O-CB 3.29Å; N174-M178 WeakPolarHBondContact O-CB 3.3Å; N174-M178 WeakPolarHBondContact O-CG 3.24Å; N174-M178 PolarHBondContact O-N 3.24Å; R176-M178 VanDerWaalsContact C-N 3.31Å; R176-M178 PolarHBondContact O-N 2.99Å; M178-H180 PolarHBondContact O-N 2.96Å; M178-K181 PolarHBondContact O-N 2.78Å; M178-L182 PolarHBondContact N-O 3.08Å; M178-M183 HydrophobicContact SD-CG 3.46Å; M178-M183 WeakPolarHBondContact SD-CG 3.46Å; M178-M183 HydrophobicContact SD-SD 4.26Å; M178-W204 WeakPolarHBondContact CE-O 3.41Å; M178-M206 HydrophobicContact CE-CB 3.57Å; M178-M206 HydrophobicContact CE-CG 4.42Å; M178-M206 HydrophobicContact SD-CE 4.35Å; M178-M309 HydrophobicContact CB-CE 4.47Å; M178-M309 HydrophobicContact CG-CE 3.7Å; M178-M309 HydrophobicContact CG-SD 3.77Å; M178-M309 HydrophobicContact SD-CE 4.43Å
179K88.5Confident87.3Confident157 Ų15737.3 Ų37.368%0.68316%0.163SC*.G310 helixtrans-59.5-29171-62.3178.7-176.3174.80112.1R176 M177R176-K179 WeakPolarHBondContact O-CB 3.31Å; R176-K179 PolarHBondContact O-N 3.22Å; M177-K179 PolarHBondContact O-N 3.46Å
180H88.8Confident86Confident48 Ų4839.6 Ų39.622%0.22218%0.182CC..G310 helixtrans-99.711.7179.6-56.3-75.9000112.4I75 D79 M177 M178 L182I75-H180 HydrophobicContact CD1-CB 4.15Å; I75-H180 HydrophobicContact CG1-CB 4.18Å; D79-H180 IonicContact OD2-NE2 2.84Å; D79-H180 PolarHBondContact OD2-NE2 3.12Å; D79-H180 VanDerWaalsContact OD2-NE2 3.1Å; M177-H180 CarbonylContact O-C 3.58Å; M177-H180 WeakPolarHBondContact O-CA 3.34Å; M177-H180 WeakPolarHBondContact O-CB 3.22Å; M177-H180 PolarHBondContact O-N 3.24Å; M178-H180 PolarHBondContact O-N 2.96Å; H180-L182 VanDerWaalsContact C-N 3.26Å; H180-L182 PolarHBondContact O-N 3.4Å
181K90.8Very high84.2Confident86 Ų8644.3 Ų44.337%0.37420%0.204SC..THydrogen-bonded Turntrans57.134.3-176.8-53.1-170.9-179.5-161.70113.9M177 M178 Y203 W204 D205M177-K181 PolarHBondContact O-N 3.48Å; M178-K181 PolarHBondContact O-N 2.78Å; K181-Y203 HydrophobicContact CB-CD2 4.07Å; K181-Y203 HydrophobicContact CB-CE2 3.6Å; K181-Y203 HydrophobicContact CD-CE2 3.91Å; K181-Y203 WeakPolarHBondContact CD-OH 3.4Å; K181-Y203 HydrophobicContact CG-CE2 4.42Å; K181-Y203 WeakPolarHBondContact O-CA 3.29Å; K181-Y203 WeakPolarHBondContact O-CD2 3.43Å; K181-W204 CarbonylContact C-O 3.44Å; K181-W204 WeakPolarHBondContact CA-O 3.22Å; K181-W204 PolarHBondContact O-N 2.92Å; K181-D205 HydrophobicContact CD-CB 4.49Å; K181-D205 IonicContact NZ-OD2 2.75Å; K181-D205 PolarHBondContact NZ-OD2 3.34Å
182L91.9Very high82.1Confident0 Ų051 Ų510%024%0.24CC..EExtended strand (participates in β ladder)trans-119.5139.6177.8-68.8170.8000111.1V45 L67 F72 I75 M177 M178 H180 V202V45-L182 HydrophobicContact CB-CD2 4.39Å; V45-L182 HydrophobicContact CG2-CD2 3.91Å; L67-L182 HydrophobicContact CD2-CD1 4.04Å; F72-L182 HydrophobicContact CD1-CD1 3.94Å; F72-L182 HydrophobicContact CD1-CG 4.33Å; F72-L182 HydrophobicContact CE1-CD1 4.14Å; F72-L182 HydrophobicContact CE1-CD2 4.02Å; F72-L182 HydrophobicContact CE1-CG 4.02Å; F72-L182 HydrophobicContact CE2-CD2 4.36Å; F72-L182 HydrophobicContact CG-CD1 4.31Å; F72-L182 HydrophobicContact CZ-CD2 3.91Å; F72-L182 HydrophobicContact CZ-CG 4.43Å; I75-L182 HydrophobicContact CD1-CD1 3.45Å; I75-L182 VanDerWaalsContact CD1-CD1 3.45Å; M177-L182 CarbonylContact C-O 3.43Å; M177-L182 VanDerWaalsContact C-O 3.23Å; M177-L182 HydrophobicContact CB-CB 4.37Å; M177-L182 WeakPolarHBondContact CB-O 3.39Å; M177-L182 PolarHBondContact O-N 3.41Å; M178-L182 PolarHBondContact N-O 3.08Å; H180-L182 VanDerWaalsContact C-N 3.26Å; H180-L182 PolarHBondContact O-N 3.4Å; L182-V202 WeakPolarHBondContact CA-O 3.29Å
183M93.1Very high80.3Confident0 Ų051.2 Ų51.20%025%0.252CS..EExtended strand (participates in β ladder)trans-114.7138.2168.4-67.7-170-49.100110.1M178 L201 V202 W204 M206 Y315 V316 L346M178-M183 HydrophobicContact SD-CG 3.46Å; M178-M183 WeakPolarHBondContact SD-CG 3.46Å; M178-M183 HydrophobicContact SD-SD 4.26Å; M183-L201 WeakPolarHBondContact O-CA 3.4Å; M183-V202 PolarHBondContact N-O 3.33Å; M183-V202 PolarHBondContact O-N 3.47Å; M183-W204 HydrophobicContact CE-CB 3.6Å; M183-W204 HydrophobicContact CE-CD2 3.31Å; M183-W204 HydrophobicContact CE-CE3 3.49Å; M183-W204 VanDerWaalsContact CE-CE3 3.49Å; M183-W204 HydrophobicContact CE-CG 3.36Å; M183-W204 HydrophobicContact CE-CZ3 4.28Å; M183-W204 HydrophobicContact CG-CB 3.82Å; M183-W204 HydrophobicContact CG-CG 4.28Å; M183-W204 HydrophobicContact SD-CB 3.94Å; M183-W204 HydrophobicContact SD-CD2 4.2Å; M183-W204 HydrophobicContact SD-CG 3.74Å; M183-M206 HydrophobicContact SD-CE 4.25Å; M183-Y315 HydrophobicContact CE-CD1 4.24Å; M183-V316 HydrophobicContact CB-CG2 3.69Å; M183-V316 HydrophobicContact CE-CG2 3.91Å; M183-L346 HydrophobicContact SD-CD2 4.14Å
184V92.6Very high78.7Confident0 Ų052.4 Ų52.40%026%0.261CS..EExtended strand (participates in β ladder)trans-110.7137-179.5-171.60000109.4L84 L170 V173 N174 M177 L199 Y200 L201L84-V184 HydrophobicContact CD1-CG1 4.26Å; L170-V184 HydrophobicContact CD2-CG1 4.34Å; V173-V184 HydrophobicContact CG1-CB 4.39Å; V173-V184 HydrophobicContact CG1-CG2 4.17Å; N174-V184 PolarHBondContact ND2-O 3.02Å; N174-V184 WeakPolarHBondContact OD1-CA 3.26Å; N174-V184 VanDerWaalsContact OD1-CB 3.25Å; N174-V184 WeakPolarHBondContact OD1-CB 3.49Å; N174-V184 PolarHBondContact OD1-N 2.73Å; N174-V184 PolarHBondContact OD1-O 2.95Å; M177-V184 HydrophobicContact CB-CG2 4.34Å; M177-V184 HydrophobicContact CG-CG2 3.93Å; V184-L199 HydrophobicContact CG1-CD1 3.46Å; V184-L199 VanDerWaalsContact CG1-CD1 3.46Å; V184-L199 HydrophobicContact CG1-CG 4.27Å; V184-Y200 WeakPolarHBondContact CA-O 3.28Å; V184-L201 HydrophobicContact CG2-CG 4.28Å
185G90.3Very high77.3Confident0 Ų053.1 Ų53.10%027%0.269CS..EExtended strand (participates in β ladder)trans-149.3153.117400000111.3Y200G185-Y200 PolarHBondContact N-O 3.29Å; G185-Y200 PolarHBondContact O-N 3.12Å
186V87.8Confident76.3Confident4 Ų452.8 Ų52.82%0.02427%0.267CS..EExtended strand (participates in β ladder)trans-108.4125.71731770000108F58 L88 I166 L170 M197 Q198 L199 K317F58-V186 HydrophobicContact CZ-CG1 4.22Å; L88-V186 HydrophobicContact CD1-CG2 4.49Å; L88-V186 HydrophobicContact CD2-CG2 4.19Å; I166-V186 HydrophobicContact CG2-CB 4.42Å; I166-V186 HydrophobicContact CG2-CG2 4.42Å; L170-V186 HydrophobicContact CD1-CB 4.47Å; L170-V186 HydrophobicContact CD1-CG2 4.04Å; V186-M197 HydrophobicContact CG1-CB 4.36Å; V186-M197 HydrophobicContact CG1-SD 4.19Å; V186-Q198 WeakPolarHBondContact CA-O 3.39Å; V186-L199 HydrophobicContact CG2-CD1 3.79Å; V186-K317 WeakPolarHBondContact O-CD 3.24Å
187A83.3Confident75.9Confident1 Ų149.3 Ų49.31%0.00825%0.254CS..EExtended strand (participates in β ladder)trans-123.5148.917500000111.6Q198 Y200 K317A187-Q198 PolarHBondContact N-O 3.34Å; A187-Q198 PolarHBondContact O-N 3.42Å; A187-Y200 HydrophobicContact CB-CD2 3.93Å; A187-Y200 HydrophobicContact CB-CE2 3.61Å; A187-K317 HydrophobicContact CB-CB 4.35Å; A187-K317 HydrophobicContact CB-CG 3.86Å
188D77.2Confident75.9Confident36 Ų3651.5 Ų51.519%0.19327%0.265CS..EExtended strand (participates in β ladder)trans-89.6119174.2-53.3-59.3000108.1N100 M197 K317N100-D188 VanDerWaalsContact ND2-CG 3.27Å; N100-D188 PolarHBondContact ND2-OD1 3.41Å; D188-M197 WeakPolarHBondContact OD1-CE 3.27Å; D188-M197 VanDerWaalsContact OD1-CG 3.26Å; D188-M197 WeakPolarHBondContact OD1-CG 3Å; D188-K317 IonicContact OD2-NZ 3.66Å; D188-K317 PolarHBondContact OD2-NZ 3.37Å
189W65.3Low76Confident97 Ų9750.5 Ų50.537%0.36726%0.26SS..EExtended strand (participates in β ladder)trans-104.3134171-173.4-96000109.6H196W189-H196 PolarHBondContact N-O 2.82Å; W189-H196 PolarHBondContact O-N 3.22Å; W189-H196 VanDerWaalsContact O-O 3.09Å
190V57Low76.1Confident98 Ų9843.9 Ų43.959%0.59423%0.231SC*.EExtended strand (participates in β ladder)trans-108.1109.9176.8-177.70000108.3
191Q51.1Low76.2Confident99 Ų9941.6 Ų41.646%0.46322%0.22SC..EExtended strand (participates in β ladder)trans-119.5129.6172.4-164.781.522.100108C193 A194Q191-C193 VanDerWaalsContact C-N 3.3Å; Q191-C193 PolarHBondContact O-N 3.46Å; Q191-A194 PolarHBondContact N-O 3.26Å; Q191-A194 VanDerWaalsContact N-O 3.11Å; Q191-A194 WeakPolarHBondContact O-CB 3.37Å; Q191-A194 PolarHBondContact O-N 3.44Å; Q191-A194 VanDerWaalsContact O-O 3.12Å
192N45.8Very low76.3Confident150 Ų15037.5 Ų37.580%0.80220%0.202SC*.THydrogen-bonded Turntrans51.742.7176.5-60.6-12.4000114.3A194N192-A194 PolarHBondContact O-N 2.93Å
193C48.3Very low76.3Confident105 Ų10538.1 Ų38.171%0.70921%0.205SC*.THydrogen-bonded Turntrans616.1-176.1-56.10000115.1G102 Q191G102-C193 CarbonylContact C-O 3.59Å; G102-C193 WeakPolarHBondContact CA-O 3.23Å; Q191-C193 VanDerWaalsContact C-N 3.3Å; Q191-C193 PolarHBondContact O-N 3.46Å
194A55.1Low76.3Confident26 Ų2638.1 Ų38.122%0.21521%0.205CC..EExtended strand (participates in β ladder)trans-96.7115.4169.500000109.1Q191 N192 H196Q191-A194 PolarHBondContact N-O 3.26Å; Q191-A194 VanDerWaalsContact N-O 3.11Å; Q191-A194 WeakPolarHBondContact O-CB 3.37Å; Q191-A194 PolarHBondContact O-N 3.44Å; Q191-A194 VanDerWaalsContact O-O 3.12Å; N192-A194 PolarHBondContact O-N 2.93Å; A194-H196 PolarHBondContact O-CD2 2.68Å; A194-H196 PolarHBondContact O-N 3.48Å
195G62.6Low76.2Confident15 Ų1539.9 Ų39.916%0.15521%0.214CC..EExtended strand (participates in β ladder)trans-72.1117.7167.700000109.9G102G102-G195 VanDerWaalsContact N-N 3.18Å
196H68.9Low76.1Confident84 Ų8440.4 Ų40.439%0.38922%0.217SC..EExtended strand (participates in β ladder)trans-116.1132.5173-70-82.4000109.2W189 A194W189-H196 PolarHBondContact N-O 2.82Å; W189-H196 PolarHBondContact O-N 3.22Å; W189-H196 VanDerWaalsContact O-O 3.09Å; A194-H196 PolarHBondContact O-CD2 2.68Å; A194-H196 PolarHBondContact O-N 3.48Å
197M79.1Confident76.2Confident9 Ų944 Ų444%0.04424%0.242CC..EExtended strand (participates in β ladder)trans-87140.1170.3-64.1-159.3-174.800110.1T50 F58 Y96 M97 N100 V186 D188T50-M197 HydrophobicContact CG2-CB 4.02Å; T50-M197 PolarHBondContact N-O 2.97Å; F58-M197 HydrophobicContact CZ-CB 4.19Å; Y96-M197 HydrophobicContact CD1-CE 3.62Å; Y96-M197 HydrophobicContact CE1-CE 3.17Å; Y96-M197 HydrophobicContact CE1-SD 4.2Å; Y96-M197 HydrophobicContact CE2-CE 4.44Å; Y96-M197 HydrophobicContact CG-CE 4.48Å; M97-M197 HydrophobicContact CB-CE 4.43Å; M97-M197 HydrophobicContact CB-SD 4.22Å; M97-M197 HydrophobicContact CG-CE 4.14Å; M97-M197 HydrophobicContact CG-SD 3.53Å; M97-M197 VanDerWaalsContact CG-SD 3.53Å; M97-M197 HydrophobicContact SD-SD 4.31Å; N100-M197 HydrophobicContact CB-CE 3.6Å; N100-M197 VanDerWaalsContact ND2-CE 3.27Å; N100-M197 WeakPolarHBondContact ND2-CE 3.17Å; V186-M197 HydrophobicContact CG1-CB 4.36Å; V186-M197 HydrophobicContact CG1-SD 4.19Å; D188-M197 WeakPolarHBondContact OD1-CE 3.27Å; D188-M197 VanDerWaalsContact OD1-CG 3.26Å; D188-M197 WeakPolarHBondContact OD1-CG 3Å
198Q87.1Confident76.5Confident46 Ų4646.4 Ų46.422%0.21526%0.258CS..EExtended strand (participates in β ladder)trans-127.7137.4173.2-64.6-169-0.400109.9I48 P49 V186 A187 Y200I48-Q198 WeakPolarHBondContact O-CA 3.5Å; P49-Q198 HydrophobicContact CB-CG 4.47Å; V186-Q198 WeakPolarHBondContact CA-O 3.39Å; A187-Q198 PolarHBondContact N-O 3.34Å; A187-Q198 PolarHBondContact O-N 3.42Å; Q198-Y200 HydrophobicContact CB-CD2 4.25Å; Q198-Y200 HydrophobicContact CB-CE1 4.4Å; Q198-Y200 HydrophobicContact CB-CE2 3.53Å; Q198-Y200 WeakPolarHBondContact O-CD2 3.33Å; Q198-Y200 PolarHBondContact OE1-OH 3.19Å
199L90.7Very high77.1Confident0 Ų044.7 Ų44.70%025%0.249CC..EExtended strand (participates in β ladder)trans-86.7125168.6179.574.6000108.1A47 I48 F58 L84 L88 V184 V186 L201A47-L199 CarbonylContact C-O 3.57Å; A47-L199 WeakPolarHBondContact CA-O 3.44Å; I48-L199 HydrophobicContact CB-CB 4.3Å; I48-L199 PolarHBondContact N-O 2.69Å; I48-L199 PolarHBondContact O-N 3.27Å; F58-L199 HydrophobicContact CD1-CB 3.65Å; F58-L199 HydrophobicContact CE1-CB 3.77Å; F58-L199 HydrophobicContact CG-CB 4.08Å; F58-L199 HydrophobicContact CZ-CB 4.28Å; L84-L199 HydrophobicContact CD1-CD1 4.06Å; L84-L199 HydrophobicContact CD1-CD2 4.49Å; L84-L199 HydrophobicContact CD2-CD2 3.58Å; L88-L199 HydrophobicContact CD1-CD1 4.31Å; V184-L199 HydrophobicContact CG1-CD1 3.46Å; V184-L199 VanDerWaalsContact CG1-CD1 3.46Å; V184-L199 HydrophobicContact CG1-CG 4.27Å; V186-L199 HydrophobicContact CG2-CD1 3.79Å; L199-L201 HydrophobicContact CD2-CD1 4.11Å; L199-L201 HydrophobicContact CG-CD1 4.1Å
200Y91.2Very high78.3Confident18 Ų1841.5 Ų41.57%0.07124%0.239CC..EExtended strand (participates in β ladder)trans-113.5136.8179.4-65.8-82.3000110.9A46 A47 V184 G185 A187 Q198 M320A46-Y200 WeakPolarHBondContact O-CA 3.46Å; A47-Y200 HydrophobicContact CB-CD1 3.79Å; A47-Y200 HydrophobicContact CB-CE1 3.7Å; V184-Y200 WeakPolarHBondContact CA-O 3.28Å; G185-Y200 PolarHBondContact N-O 3.29Å; G185-Y200 PolarHBondContact O-N 3.12Å; A187-Y200 HydrophobicContact CB-CD2 3.93Å; A187-Y200 HydrophobicContact CB-CE2 3.61Å; Q198-Y200 HydrophobicContact CB-CD2 4.25Å; Q198-Y200 HydrophobicContact CB-CE1 4.4Å; Q198-Y200 HydrophobicContact CB-CE2 3.53Å; Q198-Y200 WeakPolarHBondContact O-CD2 3.33Å; Q198-Y200 PolarHBondContact OE1-OH 3.19Å; Y200-M320 HydrophobicContact CD1-CB 4.16Å; Y200-M320 HydrophobicContact CD1-CG 3.7Å; Y200-M320 HydrophobicContact CD1-SD 3.58Å; Y200-M320 VanDerWaalsContact CD1-SD 3.58Å; Y200-M320 HydrophobicContact CD2-CB 3.9Å; Y200-M320 HydrophobicContact CD2-CG 3.87Å; Y200-M320 HydrophobicContact CE1-CB 4.17Å; Y200-M320 HydrophobicContact CE1-CG 4.19Å; Y200-M320 HydrophobicContact CE1-SD 4.05Å; Y200-M320 HydrophobicContact CE2-CB 3.9Å; Y200-M320 HydrophobicContact CE2-CG 4.33Å; Y200-M320 HydrophobicContact CG-CB 4.01Å; Y200-M320 HydrophobicContact CG-CG 3.51Å; Y200-M320 HydrophobicContact CG-SD 3.99Å
201L91.8Very high79.9Confident0 Ų043.4 Ų43.40%024%0.235CC..EExtended strand (participates in β ladder)trans-117.2122.3171.3-68.286.1000107.8V45 A46 C63 L67 L80 M183 V184 L199V45-L201 PolarHBondContact N-O 3.09Å; A46-L201 HydrophobicContact CB-CB 4.28Å; A46-L201 HydrophobicContact CB-CD1 4.25Å; A46-L201 PolarHBondContact N-O 2.82Å; A46-L201 PolarHBondContact O-N 3.19Å; C63-L201 VanDerWaalsContact SG-CD1 3.54Å; L67-L201 HydrophobicContact CD1-CD2 3.66Å; L67-L201 HydrophobicContact CD2-CD2 3.88Å; L67-L201 HydrophobicContact CG-CD2 4.11Å; L80-L201 HydrophobicContact CD1-CD2 4.17Å; M183-L201 WeakPolarHBondContact O-CA 3.4Å; V184-L201 HydrophobicContact CG2-CG 4.28Å; L199-L201 HydrophobicContact CD2-CD1 4.11Å; L199-L201 HydrophobicContact CG-CD1 4.1Å
202V92.2Very high81.8Confident0 Ų040.5 Ų40.50%022%0.223CC..EExtended strand (participates in β ladder)trans-122.3132.9-172179.10000108.9Q43 L182 M183 W204 V316 L319 M320Q43-V202 WeakPolarHBondContact O-CA 3.49Å; Q43-V202 WeakPolarHBondContact O-CG1 3.46Å; L182-V202 WeakPolarHBondContact CA-O 3.29Å; M183-V202 PolarHBondContact N-O 3.33Å; M183-V202 PolarHBondContact O-N 3.47Å; V202-W204 PolarHBondContact O-N 2.78Å; V202-V316 HydrophobicContact CB-CG2 4.37Å; V202-V316 HydrophobicContact CG2-CG1 3.77Å; V202-V316 HydrophobicContact CG2-CG2 4.25Å; V202-L319 HydrophobicContact CG1-CD2 4.05Å; V202-M320 HydrophobicContact CG2-CE 3.51Å; V202-M320 HydrophobicContact CG2-SD 4.24Å
203Y92.3Very high83.8Confident12 Ų1233.4 Ų33.45%0.04719%0.185CC..EExtended strand (participates in β ladder)trans-70.6130.5173.3178.5-95.2000110.6W39 N41 G42 Q43 F72 K181W39-Y203 HydrophobicContact CB-CD1 3.34Å; W39-Y203 HydrophobicContact CB-CD2 3.59Å; W39-Y203 HydrophobicContact CB-CE1 3.62Å; W39-Y203 HydrophobicContact CB-CE2 3.84Å; W39-Y203 HydrophobicContact CB-CG 3.29Å; W39-Y203 HydrophobicContact CG-CD1 4.47Å; W39-Y203 HydrophobicContact CG-CD2 4Å; W39-Y203 HydrophobicContact CG-CE2 4.42Å; W39-Y203 AromaticContact CG-CG 4Å; W39-Y203 HydrophobicContact CG-CG 4Å; W39-Y203 WeakPolarHBondContact O-CE1 3.39Å; N41-Y203 WeakPolarHBondContact CA-O 3.33Å; G42-Y203 PolarHBondContact N-O 3.49Å; Q43-Y203 PolarHBondContact O-N 3.16Å; F72-Y203 HydrophobicContact CE1-CD2 4.46Å; F72-Y203 HydrophobicContact CZ-CD2 4Å; K181-Y203 HydrophobicContact CB-CD2 4.07Å; K181-Y203 HydrophobicContact CB-CE2 3.6Å; K181-Y203 HydrophobicContact CD-CE2 3.91Å; K181-Y203 WeakPolarHBondContact CD-OH 3.4Å; K181-Y203 HydrophobicContact CG-CE2 4.42Å; K181-Y203 WeakPolarHBondContact O-CA 3.29Å; K181-Y203 WeakPolarHBondContact O-CD2 3.43Å
204W92.1Very high85.8Confident0 Ų029 Ų290%015%0.154CC..  trans-152.4115.5-180-157.7-90.7000113.2N41 M178 K181 M183 V202 Y315 C339 L346N41-W204 HydrophobicContact CB-CD2 4.25Å; N41-W204 HydrophobicContact CB-CE3 3.97Å; N41-W204 HydrophobicContact CB-CZ3 4.15Å; M178-W204 WeakPolarHBondContact CE-O 3.41Å; K181-W204 CarbonylContact C-O 3.44Å; K181-W204 WeakPolarHBondContact CA-O 3.22Å; K181-W204 PolarHBondContact O-N 2.92Å; M183-W204 HydrophobicContact CE-CB 3.6Å; M183-W204 HydrophobicContact CE-CD2 3.31Å; M183-W204 HydrophobicContact CE-CE3 3.49Å; M183-W204 VanDerWaalsContact CE-CE3 3.49Å; M183-W204 HydrophobicContact CE-CG 3.36Å; M183-W204 HydrophobicContact CE-CZ3 4.28Å; M183-W204 HydrophobicContact CG-CB 3.82Å; M183-W204 HydrophobicContact CG-CG 4.28Å; M183-W204 HydrophobicContact SD-CB 3.94Å; M183-W204 HydrophobicContact SD-CD2 4.2Å; M183-W204 HydrophobicContact SD-CG 3.74Å; V202-W204 PolarHBondContact O-N 2.78Å; W204-Y315 HydrophobicContact CE3-CE1 4.46Å; W204-Y315 HydrophobicContact CH2-CD1 4.49Å; W204-Y315 AromaticContact CH2-CE1 3.46Å; W204-Y315 HydrophobicContact CH2-CE1 3.46Å; W204-Y315 VanDerWaalsContact CH2-CE1 3.46Å; W204-Y315 AromaticContact CH2-CZ 3.81Å; W204-Y315 HydrophobicContact CZ2-CE1 4.22Å; W204-Y315 AromaticContact CZ3-CE1 3.61Å; W204-Y315 HydrophobicContact CZ3-CE1 3.61Å; W204-C339 HydrophobicContact CH2-CB 3.82Å; W204-C339 HydrophobicContact CZ3-CB 4.17Å; W204-L346 HydrophobicContact CH2-CB 4.17Å; W204-L346 HydrophobicContact CZ2-CB 3.55Å
205D90.9Very high87.4Confident37 Ų3731.8 Ų31.820%0.19816%0.163CC..  trans-88110.2164.1-163-36.7000110.1N41 K181 S207N41-D205 PolarHBondContact ND2-O 3.02Å; N41-D205 PolarHBondContact OD1-N 2.92Å; K181-D205 HydrophobicContact CD-CB 4.49Å; K181-D205 IonicContact NZ-OD2 2.75Å; K181-D205 PolarHBondContact NZ-OD2 3.34Å; D205-S207 VanDerWaalsContact C-N 3.32Å; D205-S207 PolarHBondContact O-N 2.9Å; D205-S207 VanDerWaalsContact OD1-CB 3.26Å; D205-S207 WeakPolarHBondContact OD1-CB 3.25Å; D205-S207 PolarHBondContact OD1-N 2.66Å; D205-S207 PolarHBondContact OD1-OG 3.04Å
206M88.6Confident88.6Confident12 Ų1231.6 Ų31.66%0.05916%0.159CC..  trans-78.9-13.5-175.3-162.265102.200113.3M178 M183 C208 C209 L210 L308 M309 L346M178-M206 HydrophobicContact CE-CB 3.57Å; M178-M206 HydrophobicContact CE-CG 4.42Å; M178-M206 HydrophobicContact SD-CE 4.35Å; M183-M206 HydrophobicContact SD-CE 4.25Å; M206-C208 VanDerWaalsContact C-N 3.34Å; M206-C208 PolarHBondContact O-N 2.86Å; M206-C209 CarbonylContact O-C 3.49Å; M206-C209 PolarHBondContact O-N 2.85Å; M206-C209 HydrophobicContact SD-CB 3.86Å; M206-L210 WeakPolarHBondContact O-CB 3.36Å; M206-L210 PolarHBondContact O-N 3.4Å; M206-L308 HydrophobicContact CE-CB 3.55Å; M206-L308 HydrophobicContact CE-CD1 4.49Å; M206-L308 HydrophobicContact CE-CD2 4.1Å; M206-L308 HydrophobicContact CE-CG 4.23Å; M206-L308 HydrophobicContact CG-CB 4.5Å; M206-L308 HydrophobicContact CG-CD1 3.9Å; M206-L308 HydrophobicContact SD-CB 4Å; M206-L308 HydrophobicContact SD-CD1 3.84Å; M206-L308 HydrophobicContact SD-CD2 3.67Å; M206-L308 HydrophobicContact SD-CG 4.04Å; M206-M309 HydrophobicContact CE-CE 3.64Å; M206-L346 HydrophobicContact CE-CD2 3.55Å; M206-L346 HydrophobicContact SD-CD2 3.92Å
207S90.2Very high89.3Confident78 Ų7828.6 Ų28.655%0.54515%0.146SC..Hα-helixtrans-55-46.4-169.1-48.10000112.8D205 R211D205-S207 VanDerWaalsContact C-N 3.32Å; D205-S207 PolarHBondContact O-N 2.9Å; D205-S207 VanDerWaalsContact OD1-CB 3.26Å; D205-S207 WeakPolarHBondContact OD1-CB 3.25Å; D205-S207 PolarHBondContact OD1-N 2.66Å; D205-S207 PolarHBondContact OD1-OG 3.04Å; S207-R211 WeakPolarHBondContact O-CB 3.09Å; S207-R211 PolarHBondContact O-N 3.22Å; S207-R211 VanDerWaalsContact O-N 3.07Å
208C88.4Confident89.6Confident53 Ų5333.2 Ų33.236%0.35817%0.167SC..Hα-helixtrans-69.1-37.5178.1-64.30000112.8M206 M212 H338M206-C208 VanDerWaalsContact C-N 3.34Å; M206-C208 PolarHBondContact O-N 2.86Å; C208-M212 WeakPolarHBondContact O-CB 3.41Å; C208-M212 PolarHBondContact O-N 3Å; C208-M212 VanDerWaalsContact O-N 3.14Å; C208-H338 HydrophobicContact CB-CB 4.35Å; C208-H338 PolarHBondContact O-CE1 2.86Å; C208-H338 VanDerWaalsContact O-CE1 3.24Å
209C90.1Very high89.5Confident0 Ų037.2 Ų37.20%019%0.186CC..Hα-helixtrans-69.6-41.1178.1-65.60000111.5M206 L213 L308 C345 C347M206-C209 CarbonylContact O-C 3.49Å; M206-C209 PolarHBondContact O-N 2.85Å; M206-C209 HydrophobicContact SD-CB 3.86Å; C209-L213 VanDerWaalsContact O-CB 3.27Å; C209-L213 WeakPolarHBondContact O-CB 3.31Å; C209-L213 PolarHBondContact O-N 2.93Å; C209-L308 HydrophobicContact CB-CD1 4.42Å; C209-L308 HydrophobicContact CB-CD2 4.08Å; C209-C345 PolarHBondContact SG-SG 3.44Å; C209-C347 HydrophobicContact CB-CB 3.99Å
210L91.7Very high88.6Confident30 Ų3039.7 Ų39.716%0.15720%0.197CC..Hα-helixtrans-61.6-49.4176.8-178.964.3000110.7M206 L213 S214 Q301 A304 Y305 L308M206-L210 WeakPolarHBondContact O-CB 3.36Å; M206-L210 PolarHBondContact O-N 3.4Å; L210-L213 PolarHBondContact O-N 3.44Å; L210-S214 WeakPolarHBondContact O-CB 3.46Å; L210-S214 PolarHBondContact O-N 3.16Å; L210-S214 PolarHBondContact O-OG 3.18Å; L210-Q301 HydrophobicContact CD1-CG 4.44Å; L210-Q301 HydrophobicContact CD2-CG 4.49Å; L210-Q301 HydrophobicContact CG-CG 4.5Å; L210-A304 HydrophobicContact CD1-CB 3.81Å; L210-Y305 HydrophobicContact CD1-CD2 4.38Å; L210-L308 HydrophobicContact CB-CD1 3.97Å; L210-L308 HydrophobicContact CD1-CD1 3.94Å
211R90.7Very high87.4Confident137 Ų13741.4 Ų41.452%0.51721%0.212SC..Hα-helixtrans-59.6-51.7178.5-177.5172.258.578.8-1112S207 L213 S214 E215S207-R211 WeakPolarHBondContact O-CB 3.09Å; S207-R211 PolarHBondContact O-N 3.22Å; S207-R211 VanDerWaalsContact O-N 3.07Å; R211-L213 PolarHBondContact O-N 3.49Å; R211-S214 PolarHBondContact O-N 3.37Å; R211-E215 WeakPolarHBondContact CG-OE1 3.49Å; R211-E215 IonicContact NH1-OE1 2.65Å; R211-E215 PolarHBondContact NH1-OE1 3.15Å; R211-E215 VanDerWaalsContact NH1-OE1 3.09Å; R211-E215 IonicContact NH1-OE2 2.59Å; R211-E215 WeakPolarHBondContact O-CG 3.4Å; R211-E215 PolarHBondContact O-N 3.43Å
212M89.8Confident85.7Confident39 Ų3950 Ų5019%0.19225%0.25CC..Hα-helixtrans-60-42.8179.1177.3-170.7-79.100112.7C208 T216 R336 H338 C347C208-M212 WeakPolarHBondContact O-CB 3.41Å; C208-M212 PolarHBondContact O-N 3Å; C208-M212 VanDerWaalsContact O-N 3.14Å; M212-T216 WeakPolarHBondContact O-CB 3.37Å; M212-T216 PolarHBondContact O-N 3.22Å; M212-T216 PolarHBondContact O-OG1 3.42Å; M212-R336 HydrophobicContact CE-CB 4.39Å; M212-H338 WeakPolarHBondContact CE-CE1 3.17Å; M212-H338 WeakPolarHBondContact CE-NE2 3.37Å; M212-C347 HydrophobicContact SD-CB 4.2Å; M212-C347 PolarHBondContact SD-SG 3.19Å
213L88.4Confident84.3Confident1 Ų154 Ų541%0.00527%0.274CS..Hα-helixtrans-71.2-34.8179.6-172.764.1000111.6C209 L210 R211 T216 L217 A304 L307 L308 C347 I350 L355C209-L213 VanDerWaalsContact O-CB 3.27Å; C209-L213 WeakPolarHBondContact O-CB 3.31Å; C209-L213 PolarHBondContact O-N 2.93Å; L210-L213 PolarHBondContact O-N 3.44Å; R211-L213 PolarHBondContact O-N 3.49Å; L213-T216 PolarHBondContact O-N 3.46Å; L213-L217 HydrophobicContact CG-CD1 4.24Å; L213-L217 WeakPolarHBondContact O-CB 3.31Å; L213-L217 VanDerWaalsContact O-CG 3.32Å; L213-L217 WeakPolarHBondContact O-CG 3.38Å; L213-L217 PolarHBondContact O-N 2.86Å; L213-A304 HydrophobicContact CB-CB 4.04Å; L213-A304 HydrophobicContact CD2-CB 3.98Å; L213-A304 HydrophobicContact CG-CB 3.9Å; L213-L307 HydrophobicContact CD2-CB 4.12Å; L213-L307 HydrophobicContact CD2-CD1 4.44Å; L213-L308 HydrophobicContact CD2-CD1 4.19Å; L213-L308 HydrophobicContact CD2-CD2 4.16Å; L213-L308 HydrophobicContact CD2-CG 3.76Å; L213-C347 HydrophobicContact CB-CB 4.39Å; L213-I350 HydrophobicContact CD1-CG2 4.06Å; L213-I350 HydrophobicContact CD2-CD1 4.16Å; L213-I350 HydrophobicContact CD2-CG2 4.09Å; L213-L355 HydrophobicContact CD1-CD1 4.11Å
214S89.4Confident82.9Confident11 Ų1157 Ų578%0.07729%0.293CS..Hα-helixtrans-63-50.3174.2-52.90000110.8L210 R211 T216 L217 E218 Q301 A304L210-S214 WeakPolarHBondContact O-CB 3.46Å; L210-S214 PolarHBondContact O-N 3.16Å; L210-S214 PolarHBondContact O-OG 3.18Å; R211-S214 PolarHBondContact O-N 3.37Å; S214-T216 VanDerWaalsContact C-N 3.29Å; S214-T216 PolarHBondContact O-N 3.26Å; S214-L217 PolarHBondContact O-N 3.25Å; S214-L217 VanDerWaalsContact O-N 3.09Å; S214-E218 WeakPolarHBondContact O-CG 3.46Å; S214-E218 PolarHBondContact O-N 3.26Å; S214-Q301 WeakPolarHBondContact OG-CA 3.3Å; S214-A304 WeakPolarHBondContact OG-CB 3.41Å
215E89.8Confident81.6Confident86 Ų8663.4 Ų63.440%0.40233%0.328SS..Hα-helixtrans-55.1-46.1175.3-70.9165.9-170.200110.6R211 L217 E218 E219R211-E215 WeakPolarHBondContact CG-OE1 3.49Å; R211-E215 IonicContact NH1-OE1 2.65Å; R211-E215 PolarHBondContact NH1-OE1 3.15Å; R211-E215 VanDerWaalsContact NH1-OE1 3.09Å; R211-E215 IonicContact NH1-OE2 2.59Å; R211-E215 WeakPolarHBondContact O-CG 3.4Å; R211-E215 PolarHBondContact O-N 3.43Å; E215-L217 PolarHBondContact O-N 3.36Å; E215-E218 PolarHBondContact O-N 2.97Å; E215-E219 WeakPolarHBondContact O-CG 3.47Å; E215-E219 PolarHBondContact O-N 2.93Å
216T86.3Confident80.6Confident10 Ų1066.9 Ų66.96%0.06134%0.343CS..Hα-helixtrans-61.9-43.5177.3-58.40000111.6M212 L213 S214 E218 E219 H220 K351 L355M212-T216 WeakPolarHBondContact O-CB 3.37Å; M212-T216 PolarHBondContact O-N 3.22Å; M212-T216 PolarHBondContact O-OG1 3.42Å; L213-T216 PolarHBondContact O-N 3.46Å; S214-T216 VanDerWaalsContact C-N 3.29Å; S214-T216 PolarHBondContact O-N 3.26Å; T216-E218 VanDerWaalsContact C-N 3.34Å; T216-E219 PolarHBondContact O-N 3.1Å; T216-H220 WeakPolarHBondContact O-CB 3.21Å; T216-H220 PolarHBondContact O-CD2 2.78Å; T216-H220 PolarHBondContact O-N 2.81Å; T216-K351 HydrophobicContact CG2-CD 4.02Å; T216-K351 HydrophobicContact CG2-CG 4.32Å; T216-L355 HydrophobicContact CG2-CD1 4Å
217L84.9Confident79.9Confident21 Ų2167.7 Ų67.711%0.1135%0.349CS..Hα-helixtrans-68.4-32.6178.7-74.9170.5000112.6L213 S214 E215 H220 S221 A300 K303 A304 L307 L355L213-L217 HydrophobicContact CG-CD1 4.24Å; L213-L217 WeakPolarHBondContact O-CB 3.31Å; L213-L217 VanDerWaalsContact O-CG 3.32Å; L213-L217 WeakPolarHBondContact O-CG 3.38Å; L213-L217 PolarHBondContact O-N 2.86Å; S214-L217 PolarHBondContact O-N 3.25Å; S214-L217 VanDerWaalsContact O-N 3.09Å; E215-L217 PolarHBondContact O-N 3.36Å; L217-H220 CarbonylContact O-C 3.23Å; L217-H220 PolarHBondContact O-N 3.08Å; L217-S221 WeakPolarHBondContact O-CB 3.38Å; L217-S221 PolarHBondContact O-N 2.95Å; L217-A300 HydrophobicContact CB-CB 4.11Å; L217-K303 HydrophobicContact CD1-CB 3.9Å; L217-A304 HydrophobicContact CD1-CB 3.87Å; L217-L307 HydrophobicContact CD1-CD1 4.21Å; L217-L355 HydrophobicContact CD2-CD1 3.92Å; L217-L355 HydrophobicContact CD2-CD2 3.86Å; L217-L355 HydrophobicContact CG-CD1 4.46Å
218E85.8Confident79.3Confident107 Ų10766 Ų6650%0.533%0.332SS..Hα-helixtrans-66.9-44.7172.5-72.3174.9-172.600111.2S214 E215 T216 H220 S221 A300S214-E218 WeakPolarHBondContact O-CG 3.46Å; S214-E218 PolarHBondContact O-N 3.26Å; E215-E218 PolarHBondContact O-N 2.97Å; T216-E218 VanDerWaalsContact C-N 3.34Å; E218-H220 VanDerWaalsContact C-N 3.27Å; E218-H220 PolarHBondContact O-N 3.08Å; E218-S221 VanDerWaalsContact O-CB 3.29Å; E218-S221 WeakPolarHBondContact O-CB 3.47Å; E218-S221 PolarHBondContact O-N 3.09Å; E218-S221 VanDerWaalsContact O-N 3.09Å; E218-S221 PolarHBondContact O-OG 2.75Å; E218-A300 HydrophobicContact CG-CB 3.43Å; E218-A300 VanDerWaalsContact CG-CB 3.43Å
219E83.7Confident78.8Confident129 Ų12970 Ų7060%0.60334%0.343SS*.Hα-helixtrans-59.2-39.5173-72.2173.4-178.800112E215 T216 S221 F222E215-E219 WeakPolarHBondContact O-CG 3.47Å; E215-E219 PolarHBondContact O-N 2.93Å; T216-E219 PolarHBondContact O-N 3.1Å; E219-S221 VanDerWaalsContact C-N 3.32Å; E219-F222 WeakPolarHBondContact O-CD2 3.36Å
220H73.4Confident78.2Confident52 Ų5272.2 Ų72.224%0.24136%0.357CS..Hα-helixtrans-79.5-13.2178.1-81.6-74.8000113.5T216 L217 E218 F222 V223 T227T216-H220 WeakPolarHBondContact O-CB 3.21Å; T216-H220 PolarHBondContact O-CD2 2.78Å; T216-H220 PolarHBondContact O-N 2.81Å; L217-H220 CarbonylContact O-C 3.23Å; L217-H220 PolarHBondContact O-N 3.08Å; E218-H220 VanDerWaalsContact C-N 3.27Å; E218-H220 PolarHBondContact O-N 3.08Å; H220-F222 PolarHBondContact O-N 3.31Å; H220-V223 CarbonylContact O-C 3.59Å; H220-V223 PolarHBondContact O-N 2.94Å; H220-T227 HydrophobicContact CB-CG2 3.95Å
221S64.9Low77.6Confident55 Ų5571.1 Ų71.139%0.38535%0.351SS..G310 helixtrans-65.9-19.8178.3770000112.9L217 E218 E219 V223 T224L217-S221 WeakPolarHBondContact O-CB 3.38Å; L217-S221 PolarHBondContact O-N 2.95Å; E218-S221 VanDerWaalsContact O-CB 3.29Å; E218-S221 WeakPolarHBondContact O-CB 3.47Å; E218-S221 PolarHBondContact O-N 3.09Å; E218-S221 VanDerWaalsContact O-N 3.09Å; E218-S221 PolarHBondContact O-OG 2.75Å; E219-S221 VanDerWaalsContact C-N 3.32Å; S221-V223 PolarHBondContact O-N 3.47Å; S221-T224 WeakPolarHBondContact O-CB 3.32Å; S221-T224 WeakPolarHBondContact O-CG2 3.47Å; S221-T224 PolarHBondContact O-N 2.96Å; S221-T224 PolarHBondContact O-OG1 3.43Å
222F56.3Low77.1Confident180 Ų18071.4 Ų71.479%0.78936%0.356SS*.G310 helixtrans-66.9-19.8170.4-67.3-83.4000113E219 H220E219-F222 WeakPolarHBondContact O-CD2 3.36Å; H220-F222 PolarHBondContact O-N 3.31Å
223V62.1Low76.5Confident83 Ų8373.5 Ų73.550%0.50338%0.375SS..G310 helixtrans-117.349.5174.9-1630000109.4H220 S221 N225 E226 T227H220-V223 CarbonylContact O-C 3.59Å; H220-V223 PolarHBondContact O-N 2.94Å; S221-V223 PolarHBondContact O-N 3.47Å; V223-N225 VanDerWaalsContact C-N 3.34Å; V223-N225 PolarHBondContact O-N 2.86Å; V223-E226 HydrophobicContact CG1-CB 4.05Å; V223-E226 HydrophobicContact CG1-CG 4.34Å; V223-E226 PolarHBondContact O-N 2.73Å; V223-T227 HydrophobicContact CB-CG2 4.4Å; V223-T227 WeakPolarHBondContact O-CG2 3.49Å; V223-T227 PolarHBondContact O-N 2.82Å; V223-T227 PolarHBondContact O-OG1 3.48Å
224T63.3Low76Confident75 Ų7577.9 Ų77.946%0.4639%0.391SS..Hα-helixtrans-59.7-36.8-163.1-7.80000114S221 T227 Q228S221-T224 WeakPolarHBondContact O-CB 3.32Å; S221-T224 WeakPolarHBondContact O-CG2 3.47Å; S221-T224 PolarHBondContact O-N 2.96Å; S221-T224 PolarHBondContact O-OG1 3.43Å; T224-T227 PolarHBondContact O-OG1 3.43Å; T224-Q228 VanDerWaalsContact O-CB 3.24Å; T224-Q228 WeakPolarHBondContact O-CB 3.28Å; T224-Q228 PolarHBondContact O-N 3.26Å
225N65.4Low75.4Confident136 Ų13677.3 Ų77.373%0.72739%0.388SS*.Hα-helixtrans-76.7-42.6-175.2-74.3-21.6000112.9V223 K229V223-N225 VanDerWaalsContact C-N 3.34Å; V223-N225 PolarHBondContact O-N 2.86Å; N225-K229 WeakPolarHBondContact O-CB 3.35Å; N225-K229 PolarHBondContact O-N 2.79Å
226E69.9Low74.6Confident110 Ų11077.1 Ų77.151%0.51440%0.396SS..Hα-helixtrans-73.2-36.4-178.9-64.5-56142.300111.9V223 K229 T230V223-E226 HydrophobicContact CG1-CB 4.05Å; V223-E226 HydrophobicContact CG1-CG 4.34Å; V223-E226 PolarHBondContact O-N 2.73Å; E226-K229 PolarHBondContact O-N 3.44Å; E226-T230 VanDerWaalsContact O-CB 3.31Å; E226-T230 WeakPolarHBondContact O-CB 2.97Å; E226-T230 PolarHBondContact O-N 3.07Å; E226-T230 PolarHBondContact O-OG1 3.46Å
227T73.1Confident73.8Confident29 Ų2981.8 Ų81.818%0.17842%0.416CS..Hα-helixtrans-67.9-43.9177.353.40000111.3H220 V223 T224 T230 M231H220-T227 HydrophobicContact CB-CG2 3.95Å; V223-T227 HydrophobicContact CB-CG2 4.4Å; V223-T227 WeakPolarHBondContact O-CG2 3.49Å; V223-T227 PolarHBondContact O-N 2.82Å; V223-T227 PolarHBondContact O-OG1 3.48Å; T224-T227 PolarHBondContact O-OG1 3.43Å; T227-T230 PolarHBondContact O-N 3.44Å; T227-M231 WeakPolarHBondContact O-CB 3.46Å; T227-M231 PolarHBondContact O-N 2.92Å
228Q78.6Confident73.1Confident41 Ų4181.6 Ų81.619%0.19242%0.415CS..Hα-helixtrans-64-40.8174-171.969.320.700112T224 M231 K232 P294 A296T224-Q228 VanDerWaalsContact O-CB 3.24Å; T224-Q228 WeakPolarHBondContact O-CB 3.28Å; T224-Q228 PolarHBondContact O-N 3.26Å; Q228-M231 PolarHBondContact O-N 3.34Å; Q228-M231 VanDerWaalsContact OE1-CE 3.26Å; Q228-K232 VanDerWaalsContact O-CB 3.3Å; Q228-K232 WeakPolarHBondContact O-CB 3.36Å; Q228-K232 PolarHBondContact O-N 3.3Å; Q228-P294 PolarHBondContact NE2-O 3.47Å; Q228-A296 HydrophobicContact CG-CB 4.31Å
229K76.7Confident71.9Confident138 Ų13879.1 Ų79.160%0.641%0.408SS*.Hα-helixtrans-64.9-42.1176.9-174.3-179.5178.6-173.50111.8N225 E226 K232 S233N225-K229 WeakPolarHBondContact O-CB 3.35Å; N225-K229 PolarHBondContact O-N 2.79Å; E226-K229 PolarHBondContact O-N 3.44Å; K229-K232 PolarHBondContact O-N 2.93Å; K229-S233 WeakPolarHBondContact O-CB 3.47Å; K229-S233 PolarHBondContact O-N 2.91Å
230T78.8Confident70.6Confident46 Ų4675.2 Ų75.228%0.28239%0.391SS..Hα-helixtrans-63.1-47.7175.8-58.10000110.8E226 T227 K232 S233 R234E226-T230 VanDerWaalsContact O-CB 3.31Å; E226-T230 WeakPolarHBondContact O-CB 2.97Å; E226-T230 PolarHBondContact O-N 3.07Å; E226-T230 PolarHBondContact O-OG1 3.46Å; T227-T230 PolarHBondContact O-N 3.44Å; T230-K232 PolarHBondContact O-N 3.35Å; T230-S233 PolarHBondContact O-N 3.26Å; T230-R234 WeakPolarHBondContact O-CG 3.37Å; T230-R234 PolarHBondContact O-N 2.75Å
231M78.5Confident69.7Low7 Ų775.4 Ų75.43%0.03440%0.395CS..Hα-helixtrans-60.3-47.8176.6-175.6174.368.500111.6T227 Q228 S233 R234 M235 V293 P294 L307 V354T227-M231 WeakPolarHBondContact O-CB 3.46Å; T227-M231 PolarHBondContact O-N 2.92Å; Q228-M231 PolarHBondContact O-N 3.34Å; Q228-M231 VanDerWaalsContact OE1-CE 3.26Å; M231-S233 VanDerWaalsContact C-N 3.33Å; M231-S233 PolarHBondContact O-N 2.97Å; M231-R234 PolarHBondContact O-N 3.31Å; M231-M235 HydrophobicContact CG-CG 4.31Å; M231-M235 HydrophobicContact CG-SD 3.5Å; M231-M235 VanDerWaalsContact CG-SD 3.5Å; M231-M235 VanDerWaalsContact O-CB 3.31Å; M231-M235 WeakPolarHBondContact O-CB 3.01Å; M231-M235 WeakPolarHBondContact O-CG 3.21Å; M231-M235 PolarHBondContact O-N 3.48Å; M231-M235 HydrophobicContact SD-SD 4.18Å; M231-V293 HydrophobicContact CE-CG1 4.07Å; M231-P294 HydrophobicContact CE-CB 3.94Å; M231-P294 HydrophobicContact CE-CG 3.92Å; M231-P294 HydrophobicContact SD-CB 4.41Å; M231-P294 HydrophobicContact SD-CG 3.79Å; M231-L307 HydrophobicContact SD-CD1 4.25Å; M231-L307 HydrophobicContact SD-CD2 4.04Å; M231-V354 HydrophobicContact CB-CG1 4.09Å; M231-V354 HydrophobicContact CG-CG1 3.68Å; M231-V354 HydrophobicContact SD-CG1 4.43Å
232K79.4Confident68.7Low143 Ų14375.2 Ų75.262%0.62239%0.392SS*.Hα-helixtrans-59.8-42.1177.7-174176.7180178.80112.1Q228 K229 T230 S236 V293Q228-K232 VanDerWaalsContact O-CB 3.3Å; Q228-K232 WeakPolarHBondContact O-CB 3.36Å; Q228-K232 PolarHBondContact O-N 3.3Å; K229-K232 PolarHBondContact O-N 2.93Å; T230-K232 PolarHBondContact O-N 3.35Å; K232-S236 WeakPolarHBondContact O-CB 3.38Å; K232-S236 PolarHBondContact O-N 3.04Å; K232-S236 VanDerWaalsContact O-N 3.11Å; K232-V293 HydrophobicContact CB-CG1 4.35Å
233S77.9Confident68Low84 Ų8472.7 Ų72.759%0.58738%0.38SS*.Hα-helixtrans-61.6-50.3176179.60000111.2K229 T230 M231 M235 S236K229-S233 WeakPolarHBondContact O-CB 3.47Å; K229-S233 PolarHBondContact O-N 2.91Å; T230-S233 PolarHBondContact O-N 3.26Å; M231-S233 VanDerWaalsContact C-N 3.33Å; M231-S233 PolarHBondContact O-N 2.97Å; S233-M235 PolarHBondContact O-N 3.26Å; S233-S236 WeakPolarHBondContact O-CB 3.43Å; S233-S236 PolarHBondContact O-N 3.45Å; S233-S236 PolarHBondContact O-OG 3.11Å
234R77Confident66.8Low92 Ų9273.1 Ų73.135%0.34738%0.38SS..Hα-helixtrans-73.5-27.5-174.8-67.4-166.5-178-166.610.3114.2T230 M231 H237 K353 Q356T230-R234 WeakPolarHBondContact O-CG 3.37Å; T230-R234 PolarHBondContact O-N 2.75Å; M231-R234 PolarHBondContact O-N 3.31Å; R234-H237 PolarHBondContact O-CE1 3.41Å; R234-H237 PolarHBondContact O-ND1 3.45Å; R234-H237 VanDerWaalsContact O-ND1 3.09Å; R234-K353 WeakPolarHBondContact CD-O 3.3Å; R234-K353 PolarHBondContact NH1-O 3.13Å; R234-Q356 PolarHBondContact NH1-OXT 2.77Å; R234-Q356 PolarHBondContact NH2-O 3.4Å; R234-Q356 PolarHBondContact NH2-OXT 3.35Å
235M78.1Confident65.4Low0 Ų074.4 Ų74.40%039%0.389CS..Hα-helixtrans-98.51.5179.5-65.2-17975.200113.5M231 S233 H237 L238 L292 V293 L307 T310 Y311 V354M231-M235 HydrophobicContact CG-CG 4.31Å; M231-M235 HydrophobicContact CG-SD 3.5Å; M231-M235 VanDerWaalsContact CG-SD 3.5Å; M231-M235 VanDerWaalsContact O-CB 3.31Å; M231-M235 WeakPolarHBondContact O-CB 3.01Å; M231-M235 WeakPolarHBondContact O-CG 3.21Å; M231-M235 PolarHBondContact O-N 3.48Å; M231-M235 HydrophobicContact SD-SD 4.18Å; S233-M235 PolarHBondContact O-N 3.26Å; M235-H237 PolarHBondContact O-N 2.84Å; M235-L238 HydrophobicContact CB-CD1 4.28Å; M235-L238 HydrophobicContact CE-CD1 4.14Å; M235-L238 HydrophobicContact CG-CD1 4.24Å; M235-L238 WeakPolarHBondContact O-CB 3.49Å; M235-L238 PolarHBondContact O-N 3.37Å; M235-L292 WeakPolarHBondContact CE-O 3.44Å; M235-V293 HydrophobicContact CB-CG2 3.82Å; M235-L307 HydrophobicContact CE-CD2 3.84Å; M235-L307 HydrophobicContact SD-CD2 3.51Å; M235-L307 VanDerWaalsContact SD-CD2 3.51Å; M235-T310 HydrophobicContact CE-CG2 3.84Å; M235-Y311 HydrophobicContact CE-CE2 4.31Å; M235-V354 HydrophobicContact SD-CG1 4.32Å
236S72.4Confident63.9Low82 Ų8273.8 Ų73.857%0.57339%0.392SS*.THydrogen-bonded Turntrans-56.8-23.3-177.356.40000114.8K232 S233K232-S236 WeakPolarHBondContact O-CB 3.38Å; K232-S236 PolarHBondContact O-N 3.04Å; K232-S236 VanDerWaalsContact O-N 3.11Å; S233-S236 WeakPolarHBondContact O-CB 3.43Å; S233-S236 PolarHBondContact O-N 3.45Å; S233-S236 PolarHBondContact O-OG 3.11Å
237H69.4Low62.3Low107 Ų10775.9 Ų75.950%0.49541%0.406SS..THydrogen-bonded Turntrans-88.9-3.4178.766-84.9000113.9R234 M235R234-H237 PolarHBondContact O-CE1 3.41Å; R234-H237 PolarHBondContact O-ND1 3.45Å; R234-H237 VanDerWaalsContact O-ND1 3.09Å; M235-H237 PolarHBondContact O-N 2.84Å
238L70.5Confident60.5Low17 Ų1781.6 Ų81.69%0.08944%0.435CS..  trans-96.992.4-179.2-61.5176.2000109.7I164 V168 M235 L292 T310I164-L238 HydrophobicContact CG2-CD2 3.77Å; V168-L238 HydrophobicContact CG2-CD2 4.32Å; M235-L238 HydrophobicContact CB-CD1 4.28Å; M235-L238 HydrophobicContact CE-CD1 4.14Å; M235-L238 HydrophobicContact CG-CD1 4.24Å; M235-L238 WeakPolarHBondContact O-CB 3.49Å; M235-L238 PolarHBondContact O-N 3.37Å; L238-L292 HydrophobicContact CB-CB 4.26Å; L238-L292 HydrophobicContact CB-CD1 4.03Å; L238-L292 PolarHBondContact O-N 2.86Å; L238-T310 HydrophobicContact CD1-CG2 3.78Å
239V61.4Low58.6Low56 Ų5684.4 Ų84.434%0.33946%0.457SS..EExtended strand (participates in β ladder)trans-121.5127.6-178.9177.40000109.6V241 N289V239-V241 HydrophobicContact CG1-CG2 4.47Å; V239-N289 HydrophobicContact CG1-CB 3.66Å
240L56.6Low56.5Low47 Ų4787.2 Ų87.225%0.24647%0.472CS..EExtended strand (participates in β ladder)trans-87.4113.6171.418070000109.2V168 T242 H290 L292V168-L240 HydrophobicContact CG1-CB 3.73Å; V168-L240 HydrophobicContact CG1-CD1 3.45Å; V168-L240 VanDerWaalsContact CG1-CD1 3.45Å; V168-L240 HydrophobicContact CG1-CG 4.19Å; L240-T242 PolarHBondContact O-N 3.47Å; L240-H290 HydrophobicContact CB-CB 4.38Å; L240-H290 PolarHBondContact N-O 3.38Å; L240-H290 PolarHBondContact O-N 2.77Å; L240-L292 HydrophobicContact CB-CD2 4.44Å
241V53.9Low54.3Low56 Ų5690 Ų9034%0.33950%0.5SS..EExtended strand (participates in β ladder)trans-91.7100.5173.7-172.10000108.7V239 T287 N289V239-V241 HydrophobicContact CG1-CG2 4.47Å; V241-T287 HydrophobicContact CG1-CG2 4.3Å; V241-N289 WeakPolarHBondContact CG2-OD1 3.27Å
242T44.3Very low51.8Low51 Ų5193.5 Ų93.531%0.31354%0.538SS..EExtended strand (participates in β ladder)trans-98.7128.6175.1-570000109.2L240 S288L240-T242 PolarHBondContact O-N 3.47Å; T242-S288 PolarHBondContact N-O 3.33Å; T242-S288 PolarHBondContact O-N 3.15Å; T242-S288 VanDerWaalsContact O-N 3.11Å
243K41.8Very low49.4Very low126 Ų12690.2 Ų90.255%0.54854%0.544SS..EExtended strand (participates in β ladder)trans-87.9106.8167.8-79.1165.7169.91760106.4K285 T287K243-K285 VanDerWaalsContact CD-CE 3.48Å; K243-T287 HydrophobicContact CG-CG2 4.01Å
244L35.6Very low46.9Very low93 Ų9391.9 Ų91.949%0.48756%0.556SS.*PPolyproline II helixtrans-67.8138.3172.4-78.5156.6000108.8
245P34.1Very low44.9Very low101 Ų10195.3 Ų95.366%0.65658%0.581SS**PPolyproline II helixtrans-61.3145163.826.1-30000108.7I247P245-I247 PolarHBondContact O-N 2.86Å
246P35Very low42.6Very low123 Ų123101.5 Ų101.580%0.79962%0.619SS**PPolyproline II helixtrans-58.4124.9178.123.8-31.4000109.2N248P246-N248 PolarHBondContact O-N 2.9Å
247I34.8Very low41Very low154 Ų154107 Ų10779%0.7964%0.635SS**  trans-70.1101.5170-64.3166.9000105.5P245 P249P245-I247 PolarHBondContact O-N 2.86Å; I247-P249 WeakPolarHBondContact O-CD 3.27Å
248N35.2Very low39.2Very low150 Ų150111 Ų11180%0.80265%0.654SS**  trans-99.8107.8168.9-142.7-1.5000107.1P246 E250P246-N248 PolarHBondContact O-N 2.9Å; N248-E250 PolarHBondContact O-N 2.63Å
249P39.4Very low37Very low100 Ų100116.8 Ų116.865%0.64969%0.686SS**  trans-87.191.7174.432.8-24.7000107.5I247I247-P249 WeakPolarHBondContact O-CD 3.27Å
250E32.5Very low35.6Very low196 Ų196118.9 Ų118.992%0.91670%0.702SS**  trans-177146.8143.7-101.8166.3-163.100111.6N248N248-E250 PolarHBondContact O-N 2.63Å
251A32.3Very low34.5Very low106 Ų106124 Ų12488%0.87673%0.73SS**  trans-79.6153.2-163.400000114.1
252G26.7Very low33.7Very low79 Ų79130.1 Ų130.181%0.81476%0.755SS**  trans114.5105141.100000117.1
253G28.2Very low33.2Very low74 Ų74135.2 Ų135.276%0.76378%0.78SS**  trans91.7131.8134.700000119.2
254S25.6Very low32.9Very low119 Ų119139.6 Ų139.683%0.83279%0.794SS**  trans89.8113.8159.674.80000118.9
255D34.8Very low32.7Very low165 Ų165140.7 Ų140.788%0.88281%0.806SS**  trans-56.3121.6157.3-66.2-53.9000110.7
256V30Very low33Very low130 Ų130144 Ų14479%0.78882%0.817SS**  trans-149.4124.6144.3-172.50000107.5Q258V256-Q258 PolarHBondContact O-N 2.77Å
257E38.5Very low33.1Very low196 Ų196145.7 Ų145.792%0.91682%0.819SS**  trans-53.9121.7167-66.6-162.3143.700109.8
258Q30.9Very low32.8Very low192 Ų192150 Ų15090%0.89783%0.825SS**  trans-112.1109.7172.4-161.6152.73.700110.8V256V256-Q258 PolarHBondContact O-N 2.77Å
259D26.2Very low32.7Very low139 Ų139148.9 Ų148.974%0.74382%0.819SS**  trans-53.3148.9177.6-159.5-1.3000113D261D259-D261 PolarHBondContact O-N 3.11Å
260S30.3Very low32.5Very low99 Ų99151.5 Ų151.569%0.69282%0.823SS**  trans-46.4106.5174.2-1.60000113.8E262S260-E262 VanDerWaalsContact C-N 3.29Å; S260-E262 PolarHBondContact O-N 2.99Å; S260-E262 VanDerWaalsContact O-N 3.1Å
261D33.3Very low32.4Very low155 Ų155148.6 Ų148.683%0.82981%0.814SS**  trans-88.257177.6-142.75.4000112.3D259D259-D261 PolarHBondContact O-N 3.11Å
262E37.9Very low32.2Very low184 Ų184150.4 Ų150.486%0.8681%0.814SS**  trans-105.815.4171.8-72.7-152.5157.100113.9S260S260-E262 VanDerWaalsContact C-N 3.29Å; S260-E262 PolarHBondContact O-N 2.99Å; S260-E262 VanDerWaalsContact O-N 3.1Å
263N34.9Very low32.2Very low159 Ų159150.2 Ų150.285%0.8581%0.812SS**  trans-117.769.9173.4-91.2-2.2000112.1
264R35.3Very low32.1Very low218 Ų218152.7 Ų152.782%0.82382%0.816SS**  trans-109.7116.9162.8-157.8176.4-170.8-154.53.3110.5
265P31.4Very low32.1Very low116 Ų116151.6 Ų151.675%0.75381%0.808SS**  trans-69.7140-176.327.9-32.8000111.5L267P265-L267 VanDerWaalsContact C-N 3.29Å; P265-L267 PolarHBondContact O-N 2.92Å; P265-L267 VanDerWaalsContact O-N 3.12Å
266L38.9Very low31.6Very low170 Ų170149.6 Ų149.689%0.8980%0.802SS**SBendtrans-79.220.9-165.2-77.5170.9000116.4
267L36.8Very low31.7Very low159 Ų159149.8 Ų149.883%0.83280%0.804SS**  trans-150116.6175.8-70.5173.7000111.5P265P265-L267 VanDerWaalsContact C-N 3.29Å; P265-L267 PolarHBondContact O-N 2.92Å; P265-L267 VanDerWaalsContact O-N 3.12Å
268R30.1Very low31.1Very low244 Ų244145.7 Ų145.792%0.92180%0.797SS**  trans-126.7110.4156.1-167.8175.8-169.11754.2107.9
269N32.4Very low31.1Very low127 Ų127141.6 Ų141.668%0.67979%0.789SS**  trans-75.7147.6175.7-95.77.5000112.3
270E35.1Very low31.2Very low155 Ų155144.4 Ų144.472%0.72480%0.798SS**  trans73.2114146.8-73.1171.313900121.3
271D30.4Very low31.2Very low135 Ų135147.9 Ų147.972%0.72280%0.803SS**  73.3113.1129.3-57.6-16.8000120.9
272T29.3Very low30.9Very low144 Ų144143.2 Ų143.288%0.88379%0.792SS**  168.1127.5112.3-69.20000110.9
273G26Very low30.4Very low74 Ų74142 Ų14276%0.76379%0.791SS**  trans94.2109.5138.100000120
274C25.3Very low30.2Very low126 Ų126139.1 Ų139.185%0.85178%0.784SS**  trans-26144.7163.3-140.30000120.6
275S25.3Very low30.2Very low97 Ų97135.5 Ų135.568%0.67877%0.774SS**  trans121113.2135.4-600000119.1
276T25Very low30.4Very low122 Ų122134.4 Ų134.475%0.74877%0.765SS**  trans57119.7139.551.30000123.3
277T31.6Very low30.5Very low134 Ų134129.6 Ų129.682%0.82274%0.743SS**  trans55.4106.1139.660.20000120.4
278S26.3Very low30.7Very low110 Ų110123.1 Ų123.177%0.76971%0.711SS**  trans-167.3126134.566.70000111.8
279S31.3Very low31.8Very low106 Ų106116.7 Ų116.774%0.74170%0.695SS**  trans3288.315061.20000118.2Q281S279-Q281 PolarHBondContact O-N 3.22Å; S279-Q281 VanDerWaalsContact O-N 3.16Å
280Q28.5Very low33Very low199 Ų199115.3 Ų115.393%0.9368%0.684SS**  trans-79.385.5147.4-81.1-173.5600107.9G282Q280-G282 PolarHBondContact O-N 2.59Å
281Q29Very low34.6Very low171 Ų171111.8 Ų111.880%0.79968%0.676SS**  trans-67.785.3153.2-174.2162-8.400105.7S279 D283S279-Q281 PolarHBondContact O-N 3.22Å; S279-Q281 VanDerWaalsContact O-N 3.16Å; Q281-D283 PolarHBondContact O-N 2.98Å
282G27.4Very low36.8Very low57 Ų57106.3 Ų106.359%0.58865%0.647SS**  trans-62.4117.8166.900000107Q280 S284Q280-G282 PolarHBondContact O-N 2.59Å; G282-S284 PolarHBondContact O-N 3.01Å
283D28.9Very low39Very low159 Ų159100.4 Ų100.485%0.8561%0.611SS**  trans-56.985.7167.6-80.5-39.4000108.8Q281 K285Q281-D283 PolarHBondContact O-N 2.98Å; D283-K285 VanDerWaalsContact C-N 3.3Å; D283-K285 PolarHBondContact O-N 3.2Å
284S30.5Very low41.4Very low99 Ų9997 Ų9769%0.69258%0.575SS**  trans-66.797.4173.366.20000106.6G282 V286G282-S284 PolarHBondContact O-N 3.01Å; S284-V286 WeakPolarHBondContact O-CG2 3.26Å; S284-V286 PolarHBondContact O-N 3.44Å
285K35.6Very low43.8Very low142 Ų14297 Ų9762%0.61756%0.563SS**  trans-58.290.5166-175.3167.8-170.3157.20107.6K243 D283 T287K243-K285 VanDerWaalsContact CD-CE 3.48Å; D283-K285 VanDerWaalsContact C-N 3.3Å; D283-K285 PolarHBondContact O-N 3.2Å; K285-T287 PolarHBondContact O-N 3.38Å
286V35.4Very low45.9Very low93 Ų9395.7 Ų95.756%0.56456%0.557SS**  trans-65101.1-178.3-179.10000108.2S284 S288S284-V286 WeakPolarHBondContact O-CG2 3.26Å; S284-V286 PolarHBondContact O-N 3.44Å; V286-S288 PolarHBondContact O-N 2.89Å
287T40.7Very low48.2Very low68 Ų6894.6 Ų94.642%0.41755%0.554SS.*EExtended strand (participates in β ladder)trans-79.6110.616645.80000107.9V241 K243 K285V241-T287 HydrophobicContact CG1-CG2 4.3Å; K243-T287 HydrophobicContact CG-CG2 4.01Å; K285-T287 PolarHBondContact O-N 3.38Å
288S41Very low50.5Low24 Ų2490.8 Ų90.817%0.16853%0.529CS..EExtended strand (participates in β ladder)trans-87.3127.5171.462.50000109.6T242 V286 H290T242-S288 PolarHBondContact N-O 3.33Å; T242-S288 PolarHBondContact O-N 3.15Å; T242-S288 VanDerWaalsContact O-N 3.11Å; V286-S288 PolarHBondContact O-N 2.89Å; S288-H290 PolarHBondContact OG-NE2 3.24Å
289N53.8Low53.3Low108 Ų10889.9 Ų89.958%0.57852%0.52SS*.EExtended strand (participates in β ladder)trans-96.9109.9175.2-70.8-29.5000108.3V239 V241V239-N289 HydrophobicContact CG1-CB 3.66Å; V241-N289 WeakPolarHBondContact CG2-OD1 3.27Å
290H57.4Low55.9Low99 Ų9985.8 Ų85.846%0.45849%0.493SS..EExtended strand (participates in β ladder)trans-97.5124.6175.3-63.7-80.2000109.7L240 S288L240-H290 HydrophobicContact CB-CB 4.38Å; L240-H290 PolarHBondContact N-O 3.38Å; L240-H290 PolarHBondContact O-N 2.77Å; S288-H290 PolarHBondContact OG-NE2 3.24Å
291S68.7Low58.7Low80 Ų8082.1 Ų82.156%0.55948%0.476SS*.EExtended strand (participates in β ladder)trans-74.1132.9174.2178.80000109.9V293S291-V293 VanDerWaalsContact C-N 3.29Å; S291-V293 WeakPolarHBondContact OG-CG2 3.45Å; S291-V293 PolarHBondContact OG-N 3.28Å
292L75.4Confident61.4Low21 Ų2175.8 Ų75.811%0.1145%0.453CS..  trans-884179-66169.8000113.4V168 I171 M235 L238 L240 P294 Q306 T310V168-L292 HydrophobicContact CB-CD1 4.24Å; V168-L292 HydrophobicContact CG1-CD1 3.78Å; V168-L292 HydrophobicContact CG2-CD1 3.64Å; I171-L292 HydrophobicContact CD1-CD1 3.54Å; I171-L292 HydrophobicContact CD1-CD2 4.14Å; I171-L292 HydrophobicContact CD1-CG 4.46Å; M235-L292 WeakPolarHBondContact CE-O 3.44Å; L238-L292 HydrophobicContact CB-CB 4.26Å; L238-L292 HydrophobicContact CB-CD1 4.03Å; L238-L292 PolarHBondContact O-N 2.86Å; L240-L292 HydrophobicContact CB-CD2 4.44Å; L292-P294 WeakPolarHBondContact O-CD 3.3Å; L292-Q306 PolarHBondContact O-NE2 3.39Å; L292-T310 HydrophobicContact CB-CG2 4.38Å; L292-T310 HydrophobicContact CD1-CG2 4.41Å
293V76.8Confident64.3Low20 Ų2074.5 Ų74.512%0.12143%0.431CS..SBendtrans-69.1126.1177.8-174.90000109.8M231 K232 M235 S291 E295M231-V293 HydrophobicContact CE-CG1 4.07Å; K232-V293 HydrophobicContact CB-CG1 4.35Å; M235-V293 HydrophobicContact CB-CG2 3.82Å; S291-V293 VanDerWaalsContact C-N 3.29Å; S291-V293 WeakPolarHBondContact OG-CG2 3.45Å; S291-V293 PolarHBondContact OG-N 3.28Å; V293-E295 PolarHBondContact O-N 2.92Å
294P74.7Confident67.1Low1 Ų167 Ų671%0.00639%0.391CS..PPolyproline II helixtrans-59.5132.7175.2-2027.8000112.4Q228 M231 L292 K303 Q306 L307Q228-P294 PolarHBondContact NE2-O 3.47Å; M231-P294 HydrophobicContact CE-CB 3.94Å; M231-P294 HydrophobicContact CE-CG 3.92Å; M231-P294 HydrophobicContact SD-CB 4.41Å; M231-P294 HydrophobicContact SD-CG 3.79Å; L292-P294 WeakPolarHBondContact O-CD 3.3Å; P294-K303 HydrophobicContact CB-CB 4.14Å; P294-K303 HydrophobicContact CB-CG 3.85Å; P294-Q306 HydrophobicContact CG-CB 4.37Å; P294-Q306 HydrophobicContact CG-CG 4.2Å; P294-L307 HydrophobicContact CG-CD2 4.04Å; P294-L307 HydrophobicContact CG-CG 4Å
295E75.8Confident69.9Low128 Ų12866.6 Ų66.660%0.59838%0.375SS*.PPolyproline II helixtrans-64.9142.3178.4-63.1-17617400111.2V293 S297 L298 K303V293-E295 PolarHBondContact O-N 2.92Å; E295-S297 PolarHBondContact O-N 3.5Å; E295-L298 HydrophobicContact CB-CD1 3.99Å; E295-L298 HydrophobicContact CB-CG 4.06Å; E295-L298 WeakPolarHBondContact O-CB 3.34Å; E295-L298 PolarHBondContact O-N 3.25Å; E295-L298 VanDerWaalsContact O-N 3.15Å; E295-K303 WeakPolarHBondContact O-CE 3.29Å
296A70.1Confident72.5Confident68 Ų6862.2 Ų62.256%0.56236%0.357SS*.THydrogen-bonded Turntrans-63.4-28-176.400000112.9Q228 L298 K303Q228-A296 HydrophobicContact CG-CB 4.31Å; A296-L298 VanDerWaalsContact C-N 3.32Å; A296-L298 PolarHBondContact O-N 3.24Å; A296-K303 PolarHBondContact O-NZ 3.19Å
297S74.3Confident75Confident99 Ų9957.8 Ų57.869%0.69233%0.33SS*.THydrogen-bonded Turntrans-73-16.7178.347.80000114.2E295E295-S297 PolarHBondContact O-N 3.5Å
298L79.7Confident77.4Confident54 Ų5454.6 Ų54.628%0.28331%0.31SS..SBendtrans-71.2143.7-175.5-72.3168.7000112.1E295 A296 A302 K303E295-L298 HydrophobicContact CB-CD1 3.99Å; E295-L298 HydrophobicContact CB-CG 4.06Å; E295-L298 WeakPolarHBondContact O-CB 3.34Å; E295-L298 PolarHBondContact O-N 3.25Å; E295-L298 VanDerWaalsContact O-N 3.15Å; A296-L298 VanDerWaalsContact C-N 3.32Å; A296-L298 PolarHBondContact O-N 3.24Å; L298-A302 HydrophobicContact CB-CB 4.29Å; L298-A302 HydrophobicContact CD2-CB 4.29Å; L298-K303 HydrophobicContact CB-CD 4.5Å; L298-K303 HydrophobicContact CB-CG 3.77Å; L298-K303 WeakPolarHBondContact O-CE 3.34Å; L298-K303 PolarHBondContact O-NZ 2.92Å; L298-K303 VanDerWaalsContact O-NZ 3.12Å
299P85.2Confident79.8Confident91 Ų9153.5 Ų53.559%0.59130%0.302SS*.  trans-55.6150.1168.5-23.432.8000111.7Q301 A302 K303P299-Q301 PolarHBondContact O-N 2.83Å; P299-A302 PolarHBondContact O-N 3.45Å; P299-K303 PolarHBondContact O-N 3.3Å
300A84.6Confident81.4Confident20 Ų2048.8 Ų48.817%0.16528%0.277CS..Hα-helixtrans-55.5-38.1-17900000112.7L217 E218 K303 A304L217-A300 HydrophobicContact CB-CB 4.11Å; E218-A300 HydrophobicContact CG-CB 3.43Å; E218-A300 VanDerWaalsContact CG-CB 3.43Å; A300-K303 PolarHBondContact O-N 3.49Å; A300-A304 WeakPolarHBondContact O-CB 3.27Å; A300-A304 PolarHBondContact O-N 3.37Å
301Q87.6Confident82.9Confident122 Ų12245.2 Ų45.257%0.5726%0.26SS*.Hα-helixtrans-63.9-40.4175.9-1701776.700113.2L210 S214 P299 A304 Y305L210-Q301 HydrophobicContact CD1-CG 4.44Å; L210-Q301 HydrophobicContact CD2-CG 4.49Å; L210-Q301 HydrophobicContact CG-CG 4.5Å; S214-Q301 WeakPolarHBondContact OG-CA 3.3Å; P299-Q301 PolarHBondContact O-N 2.83Å; Q301-A304 PolarHBondContact O-N 3.38Å; Q301-Y305 PolarHBondContact O-N 3.37Å
302A86.4Confident84Confident39 Ų3941.4 Ų41.432%0.32223%0.233SC..Hα-helixtrans-68.7-41.4177.100000111.1L298 P299 A304 Y305 Q306L298-A302 HydrophobicContact CB-CB 4.29Å; L298-A302 HydrophobicContact CD2-CB 4.29Å; P299-A302 PolarHBondContact O-N 3.45Å; A302-A304 VanDerWaalsContact C-N 3.35Å; A302-A304 PolarHBondContact O-N 3.38Å; A302-Y305 PolarHBondContact O-N 3.48Å; A302-Q306 WeakPolarHBondContact O-CB 3.47Å; A302-Q306 PolarHBondContact O-N 3.32Å
303K87Confident84.7Confident30 Ų3040.4 Ų40.413%0.1323%0.228CC..Hα-helixtrans-60.1-44.2172.6-67.6176.4174.4157.20111.6L217 P294 E295 A296 L298 P299 A300 Q306 L307L217-K303 HydrophobicContact CD1-CB 3.9Å; P294-K303 HydrophobicContact CB-CB 4.14Å; P294-K303 HydrophobicContact CB-CG 3.85Å; E295-K303 WeakPolarHBondContact O-CE 3.29Å; A296-K303 PolarHBondContact O-NZ 3.19Å; L298-K303 HydrophobicContact CB-CD 4.5Å; L298-K303 HydrophobicContact CB-CG 3.77Å; L298-K303 WeakPolarHBondContact O-CE 3.34Å; L298-K303 PolarHBondContact O-NZ 2.92Å; L298-K303 VanDerWaalsContact O-NZ 3.12Å; P299-K303 PolarHBondContact O-N 3.3Å; A300-K303 PolarHBondContact O-N 3.49Å; K303-Q306 PolarHBondContact O-N 2.85Å; K303-L307 WeakPolarHBondContact O-CG 3.18Å; K303-L307 PolarHBondContact O-N 2.96Å
304A88.4Confident85.2Confident0 Ų040.3 Ų40.30%023%0.23CC..Hα-helixtrans-60.2-47.8176.900000111.2L210 L213 S214 L217 A300 Q301 A302 Q306 L307 L308L210-A304 HydrophobicContact CD1-CB 3.81Å; L213-A304 HydrophobicContact CB-CB 4.04Å; L213-A304 HydrophobicContact CD2-CB 3.98Å; L213-A304 HydrophobicContact CG-CB 3.9Å; S214-A304 WeakPolarHBondContact OG-CB 3.41Å; L217-A304 HydrophobicContact CD1-CB 3.87Å; A300-A304 WeakPolarHBondContact O-CB 3.27Å; A300-A304 PolarHBondContact O-N 3.37Å; Q301-A304 PolarHBondContact O-N 3.38Å; A302-A304 VanDerWaalsContact C-N 3.35Å; A302-A304 PolarHBondContact O-N 3.38Å; A304-Q306 PolarHBondContact O-N 2.82Å; A304-L307 PolarHBondContact O-N 2.96Å; A304-L308 WeakPolarHBondContact O-CB 3.22Å; A304-L308 WeakPolarHBondContact O-CD1 3.26Å; A304-L308 WeakPolarHBondContact O-CG 3.49Å; A304-L308 PolarHBondContact O-N 3.49Å
305Y89.8Confident85.8Confident91 Ų9140.3 Ų40.336%0.35723%0.23SC..Hα-helixtrans-60.5-46.4178-174-95.4000111.9L210 Q301 A302 L307 L308 M309L210-Y305 HydrophobicContact CD1-CD2 4.38Å; Q301-Y305 PolarHBondContact O-N 3.37Å; A302-Y305 PolarHBondContact O-N 3.48Å; Y305-L307 PolarHBondContact O-N 3.46Å; Y305-L308 WeakPolarHBondContact O-CB 3.36Å; Y305-L308 PolarHBondContact O-N 2.98Å; Y305-M309 HydrophobicContact CD1-CG 4.07Å; Y305-M309 HydrophobicContact CD2-CE 4.2Å; Y305-M309 HydrophobicContact CE1-CE 4.4Å; Y305-M309 HydrophobicContact CE1-CG 3.62Å; Y305-M309 HydrophobicContact CE1-SD 4.38Å; Y305-M309 HydrophobicContact CE2-CE 3.67Å; Y305-M309 WeakPolarHBondContact O-CG 3.38Å; Y305-M309 PolarHBondContact O-N 3.29Å
306Q89.6Confident86.5Confident51 Ų5134.2 Ų34.224%0.23820%0.201CC..Hα-helixtrans-61.1-43.7178.3-175.7176.3-8.200112.2L292 P294 A302 K303 A304 L308 M309 T310L292-Q306 PolarHBondContact O-NE2 3.39Å; P294-Q306 HydrophobicContact CG-CB 4.37Å; P294-Q306 HydrophobicContact CG-CG 4.2Å; A302-Q306 WeakPolarHBondContact O-CB 3.47Å; A302-Q306 PolarHBondContact O-N 3.32Å; K303-Q306 PolarHBondContact O-N 2.85Å; A304-Q306 PolarHBondContact O-N 2.82Å; Q306-L308 VanDerWaalsContact C-N 3.34Å; Q306-L308 PolarHBondContact O-N 2.88Å; Q306-M309 PolarHBondContact O-N 3.34Å; Q306-T310 WeakPolarHBondContact O-CB 3.23Å; Q306-T310 PolarHBondContact O-N 2.89Å; Q306-T310 PolarHBondContact O-OG1 3.5Å
307L88.6Confident87.3Confident0 Ų032.2 Ų32.20%018%0.18CC..Hα-helixtrans-62.9-41.9175.6-73.3172.7000111.8L213 L217 M231 M235 P294 K303 A304 Y305 T310 Y311 I350 V354L213-L307 HydrophobicContact CD2-CB 4.12Å; L213-L307 HydrophobicContact CD2-CD1 4.44Å; L217-L307 HydrophobicContact CD1-CD1 4.21Å; M231-L307 HydrophobicContact SD-CD1 4.25Å; M231-L307 HydrophobicContact SD-CD2 4.04Å; M235-L307 HydrophobicContact CE-CD2 3.84Å; M235-L307 HydrophobicContact SD-CD2 3.51Å; M235-L307 VanDerWaalsContact SD-CD2 3.51Å; P294-L307 HydrophobicContact CG-CD2 4.04Å; P294-L307 HydrophobicContact CG-CG 4Å; K303-L307 WeakPolarHBondContact O-CG 3.18Å; K303-L307 PolarHBondContact O-N 2.96Å; A304-L307 PolarHBondContact O-N 2.96Å; Y305-L307 PolarHBondContact O-N 3.46Å; L307-T310 PolarHBondContact O-N 3.44Å; L307-Y311 HydrophobicContact CD2-CE2 4.36Å; L307-Y311 WeakPolarHBondContact O-CD2 3.13Å; L307-Y311 PolarHBondContact O-N 3.33Å; L307-I350 HydrophobicContact CB-CD1 4.41Å; L307-I350 HydrophobicContact CB-CG2 4.13Å; L307-I350 HydrophobicContact CD1-CG2 4.16Å; L307-V354 HydrophobicContact CD2-CG1 4.26Å
308L91.3Very high87.8Confident0 Ų029.5 Ų29.50%016%0.157CC..Hα-helixtrans-62.9-42.7178.3-77.1168.8000112M206 C209 L210 L213 A304 Y305 Q306 S312 L346 I350M206-L308 HydrophobicContact CE-CB 3.55Å; M206-L308 HydrophobicContact CE-CD1 4.49Å; M206-L308 HydrophobicContact CE-CD2 4.1Å; M206-L308 HydrophobicContact CE-CG 4.23Å; M206-L308 HydrophobicContact CG-CB 4.5Å; M206-L308 HydrophobicContact CG-CD1 3.9Å; M206-L308 HydrophobicContact SD-CB 4Å; M206-L308 HydrophobicContact SD-CD1 3.84Å; M206-L308 HydrophobicContact SD-CD2 3.67Å; M206-L308 HydrophobicContact SD-CG 4.04Å; C209-L308 HydrophobicContact CB-CD1 4.42Å; C209-L308 HydrophobicContact CB-CD2 4.08Å; L210-L308 HydrophobicContact CB-CD1 3.97Å; L210-L308 HydrophobicContact CD1-CD1 3.94Å; L213-L308 HydrophobicContact CD2-CD1 4.19Å; L213-L308 HydrophobicContact CD2-CD2 4.16Å; L213-L308 HydrophobicContact CD2-CG 3.76Å; A304-L308 WeakPolarHBondContact O-CB 3.22Å; A304-L308 WeakPolarHBondContact O-CD1 3.26Å; A304-L308 WeakPolarHBondContact O-CG 3.49Å; A304-L308 PolarHBondContact O-N 3.49Å; Y305-L308 WeakPolarHBondContact O-CB 3.36Å; Y305-L308 PolarHBondContact O-N 2.98Å; Q306-L308 VanDerWaalsContact C-N 3.34Å; Q306-L308 PolarHBondContact O-N 2.88Å; L308-S312 WeakPolarHBondContact O-CB 3.17Å; L308-S312 PolarHBondContact O-N 2.95Å; L308-S312 VanDerWaalsContact O-N 3.16Å; L308-L346 HydrophobicContact CD2-CD2 3.74Å; L308-L346 HydrophobicContact CD2-CG 3.77Å; L308-I350 HydrophobicContact CD2-CD1 3.58Å; L308-I350 HydrophobicContact CG-CD1 4.1Å
309M91.3Very high88.1Confident1 Ų127.6 Ų27.61%0.00515%0.147CC..Hα-helixtrans-65.5-44173.3-66.2-52.5114.700111.4I171 E175 M178 M206 Y305 Q306 Y311 S312I171-M309 HydrophobicContact CG2-CB 4Å; E175-M309 HydrophobicContact CG-CB 4.36Å; E175-M309 HydrophobicContact CG-CG 3.91Å; E175-M309 HydrophobicContact CG-SD 4.15Å; M178-M309 HydrophobicContact CB-CE 4.47Å; M178-M309 HydrophobicContact CG-CE 3.7Å; M178-M309 HydrophobicContact CG-SD 3.77Å; M178-M309 HydrophobicContact SD-CE 4.43Å; M206-M309 HydrophobicContact CE-CE 3.64Å; Y305-M309 HydrophobicContact CD1-CG 4.07Å; Y305-M309 HydrophobicContact CD2-CE 4.2Å; Y305-M309 HydrophobicContact CE1-CE 4.4Å; Y305-M309 HydrophobicContact CE1-CG 3.62Å; Y305-M309 HydrophobicContact CE1-SD 4.38Å; Y305-M309 HydrophobicContact CE2-CE 3.67Å; Y305-M309 WeakPolarHBondContact O-CG 3.38Å; Y305-M309 PolarHBondContact O-N 3.29Å; Q306-M309 PolarHBondContact O-N 3.34Å; M309-Y311 VanDerWaalsContact C-N 3.32Å; M309-Y311 PolarHBondContact O-N 2.99Å; M309-S312 WeakPolarHBondContact O-CB 3.37Å; M309-S312 PolarHBondContact O-N 3.3Å; M309-S312 PolarHBondContact O-OG 3.32Å
310T87.8Confident88.1Confident9 Ų924.6 Ų24.66%0.05513%0.126CC..Hα-helixtrans-60.5-39.8-177-57.60000112.9I171 M235 L238 L292 Q306 L307I171-T310 HydrophobicContact CD1-CG2 4.08Å; M235-T310 HydrophobicContact CE-CG2 3.84Å; L238-T310 HydrophobicContact CD1-CG2 3.78Å; L292-T310 HydrophobicContact CB-CG2 4.38Å; L292-T310 HydrophobicContact CD1-CG2 4.41Å; Q306-T310 WeakPolarHBondContact O-CB 3.23Å; Q306-T310 PolarHBondContact O-N 2.89Å; Q306-T310 PolarHBondContact O-OG1 3.5Å; L307-T310 PolarHBondContact O-N 3.44Å
311Y87.7Confident87.9Confident24 Ų2424.6 Ų24.69%0.09413%0.125CC..Hα-helixtrans-96.10.5-178.3-74.3-80.3000114.1M235 L307 M309 Y315 Y349 I350 V354M235-Y311 HydrophobicContact CE-CE2 4.31Å; L307-Y311 HydrophobicContact CD2-CE2 4.36Å; L307-Y311 WeakPolarHBondContact O-CD2 3.13Å; L307-Y311 PolarHBondContact O-N 3.33Å; M309-Y311 VanDerWaalsContact C-N 3.32Å; M309-Y311 PolarHBondContact O-N 2.99Å; Y311-Y315 WeakPolarHBondContact O-CB 3.31Å; Y311-Y315 PolarHBondContact O-N 3.42Å; Y311-Y349 AromaticContact CD1-CE1 3.85Å; Y311-Y349 HydrophobicContact CD1-CE1 3.85Å; Y311-Y349 HydrophobicContact CE1-CE1 4.48Å; Y311-Y349 HydrophobicContact CG-CE1 4.46Å; Y311-I350 HydrophobicContact CD2-CG1 4.04Å; Y311-I350 HydrophobicContact CG-CG1 4.15Å; Y311-V354 HydrophobicContact CD2-CG2 4.37Å; Y311-V354 HydrophobicContact CE2-CG2 3.49Å; Y311-V354 VanDerWaalsContact CE2-CG2 3.49Å; Y311-V354 WeakPolarHBondContact OH-CG2 3.36Å
312S91.6Very high87.4Confident0 Ų027.1 Ų27.10%014%0.136CC..Hα-helixtrans-59.2-53.5-176.259.20000112.9N174 L308 M309 Y315 V316N174-S312 PolarHBondContact ND2-OG 3.5Å; L308-S312 WeakPolarHBondContact O-CB 3.17Å; L308-S312 PolarHBondContact O-N 2.95Å; L308-S312 VanDerWaalsContact O-N 3.16Å; M309-S312 WeakPolarHBondContact O-CB 3.37Å; M309-S312 PolarHBondContact O-N 3.3Å; M309-S312 PolarHBondContact O-OG 3.32Å; S312-Y315 PolarHBondContact O-N 3.47Å; S312-V316 WeakPolarHBondContact O-CG2 3.43Å; S312-V316 PolarHBondContact O-N 2.66Å
313A90.1Very high86.7Confident0 Ų033.6 Ų33.60%015%0.152CC..Hα-helixtrans-64.2-47-178.600000112D167 L170 Y315 V316 K317D167-A313 HydrophobicContact CB-CB 4.28Å; L170-A313 HydrophobicContact CB-CB 3.64Å; L170-A313 HydrophobicContact CD1-CB 3.96Å; L170-A313 HydrophobicContact CG-CB 4.48Å; A313-Y315 VanDerWaalsContact C-N 3.29Å; A313-Y315 PolarHBondContact O-N 3.44Å; A313-V316 PolarHBondContact O-N 2.86Å; A313-K317 PolarHBondContact O-N 2.87Å
314A86.6Confident85.8Confident19 Ų1933 Ų3316%0.15715%0.15CC..Hα-helixtrans-60.7-38.1176.500000112.1K317 L318A314-K317 PolarHBondContact O-N 3.43Å; A314-L318 WeakPolarHBondContact O-CG 3.38Å; A314-L318 PolarHBondContact O-N 2.87Å
315Y88.5Confident83.9Confident0 Ų037.4 Ų37.40%019%0.187CC..Hα-helixtrans-68.3-43.5175.9179.5-97.6000112.2M183 W204 Y311 S312 A313 K317 L318 L319 L324 V344 L346 Y349M183-Y315 HydrophobicContact CE-CD1 4.24Å; W204-Y315 HydrophobicContact CE3-CE1 4.46Å; W204-Y315 HydrophobicContact CH2-CD1 4.49Å; W204-Y315 AromaticContact CH2-CE1 3.46Å; W204-Y315 HydrophobicContact CH2-CE1 3.46Å; W204-Y315 VanDerWaalsContact CH2-CE1 3.46Å; W204-Y315 AromaticContact CH2-CZ 3.81Å; W204-Y315 HydrophobicContact CZ2-CE1 4.22Å; W204-Y315 AromaticContact CZ3-CE1 3.61Å; W204-Y315 HydrophobicContact CZ3-CE1 3.61Å; Y311-Y315 WeakPolarHBondContact O-CB 3.31Å; Y311-Y315 PolarHBondContact O-N 3.42Å; S312-Y315 PolarHBondContact O-N 3.47Å; A313-Y315 VanDerWaalsContact C-N 3.29Å; A313-Y315 PolarHBondContact O-N 3.44Å; Y315-K317 VanDerWaalsContact C-N 3.29Å; Y315-K317 PolarHBondContact O-N 2.9Å; Y315-L318 PolarHBondContact O-N 2.72Å; Y315-L319 HydrophobicContact CE1-CD2 4.27Å; Y315-L319 VanDerWaalsContact O-CB 3.24Å; Y315-L319 WeakPolarHBondContact O-CB 3.25Å; Y315-L319 PolarHBondContact O-N 3.05Å; Y315-L324 HydrophobicContact CD2-CD1 4.17Å; Y315-L324 HydrophobicContact CD2-CD2 4.03Å; Y315-L324 HydrophobicContact CE2-CD1 3.53Å; Y315-L324 HydrophobicContact CE2-CD2 3.92Å; Y315-L324 HydrophobicContact CE2-CG 4.41Å; Y315-V344 PolarHBondContact OH-O 2.79Å; Y315-L346 VanDerWaalsContact CB-CD1 3.47Å; Y315-L346 HydrophobicContact CD1-CB 4.06Å; Y315-L346 HydrophobicContact CD1-CD1 4.1Å; Y315-L346 HydrophobicContact CD2-CB 4.26Å; Y315-L346 HydrophobicContact CD2-CD1 3.93Å; Y315-L346 HydrophobicContact CE1-CB 4.07Å; Y315-L346 HydrophobicContact CE2-CB 4.27Å; Y315-L346 HydrophobicContact CG-CB 4.16Å; Y315-L346 HydrophobicContact CG-CD1 3.56Å; Y315-L346 HydrophobicContact CG-CG 4.39Å; Y315-Y349 HydrophobicContact CD2-CD1 4.46Å; Y315-Y349 HydrophobicContact CD2-CG 4.23Å
316V89.4Confident81.9Confident0 Ų034.3 Ų34.30%018%0.183CC..Hα-helixtrans-58-43.8173.7170.90000110.5M183 V202 S312 A313 L318 L319 M320M183-V316 HydrophobicContact CB-CG2 3.69Å; M183-V316 HydrophobicContact CE-CG2 3.91Å; V202-V316 HydrophobicContact CB-CG2 4.37Å; V202-V316 HydrophobicContact CG2-CG1 3.77Å; V202-V316 HydrophobicContact CG2-CG2 4.25Å; S312-V316 WeakPolarHBondContact O-CG2 3.43Å; S312-V316 PolarHBondContact O-N 2.66Å; A313-V316 PolarHBondContact O-N 2.86Å; V316-L318 PolarHBondContact O-N 2.82Å; V316-L319 WeakPolarHBondContact O-CB 3.41Å; V316-L319 PolarHBondContact O-N 2.92Å; V316-M320 HydrophobicContact CG1-CG 4.18Å; V316-M320 VanDerWaalsContact O-CG 3.29Å; V316-M320 WeakPolarHBondContact O-CG 3.28Å; V316-M320 PolarHBondContact O-N 3.27Å
317K87.9Confident79.6Confident26 Ų2636.5 Ų36.511%0.11320%0.202CC..Hα-helixtrans-56.7-49.4175.2179170.7-169.8163.70111.9N163 V186 A187 D188 A313 A314 Y315 L319 S321N163-K317 PolarHBondContact ND2-NZ 2.99Å; N163-K317 PolarHBondContact OD1-NZ 2.71Å; V186-K317 WeakPolarHBondContact O-CD 3.24Å; A187-K317 HydrophobicContact CB-CB 4.35Å; A187-K317 HydrophobicContact CB-CG 3.86Å; D188-K317 IonicContact OD2-NZ 3.66Å; D188-K317 PolarHBondContact OD2-NZ 3.37Å; A313-K317 PolarHBondContact O-N 2.87Å; A314-K317 PolarHBondContact O-N 3.43Å; Y315-K317 VanDerWaalsContact C-N 3.29Å; Y315-K317 PolarHBondContact O-N 2.9Å; K317-L319 VanDerWaalsContact C-N 3.34Å; K317-S321 VanDerWaalsContact O-CB 3.28Å; K317-S321 WeakPolarHBondContact O-CB 3.25Å; K317-S321 PolarHBondContact O-N 3.48Å; K317-S321 PolarHBondContact O-OG 3.31Å
318L84.7Confident77.3Confident43 Ų4340.9 Ų40.923%0.22523%0.233CC..Hα-helixtrans-66.4-36.7179.4-69.6172.9000112.6A314 Y315 V316 E322 R323 L324 Y349A314-L318 WeakPolarHBondContact O-CG 3.38Å; A314-L318 PolarHBondContact O-N 2.87Å; Y315-L318 PolarHBondContact O-N 2.72Å; V316-L318 PolarHBondContact O-N 2.82Å; L318-E322 PolarHBondContact O-N 2.83Å; L318-R323 HydrophobicContact CD2-CB 3.86Å; L318-R323 PolarHBondContact O-N 2.68Å; L318-L324 HydrophobicContact CB-CD2 3.64Å; L318-L324 HydrophobicContact CB-CG 3.82Å; L318-L324 HydrophobicContact CD1-CD2 4.12Å; L318-L324 PolarHBondContact O-N 3.49Å; L318-Y349 HydrophobicContact CD1-CE2 3.61Å; L318-Y349 WeakPolarHBondContact CD1-OH 3.09Å
319L86Confident75Confident13 Ų1353 Ų537%0.06828%0.278CS..Hα-helixtrans-63.2-51.2177.5178.264.7000111V202 Y315 V316 K317 S321 E322 L324 T341 A342V202-L319 HydrophobicContact CG1-CD2 4.05Å; Y315-L319 HydrophobicContact CE1-CD2 4.27Å; Y315-L319 VanDerWaalsContact O-CB 3.24Å; Y315-L319 WeakPolarHBondContact O-CB 3.25Å; Y315-L319 PolarHBondContact O-N 3.05Å; V316-L319 WeakPolarHBondContact O-CB 3.41Å; V316-L319 PolarHBondContact O-N 2.92Å; K317-L319 VanDerWaalsContact C-N 3.34Å; L319-S321 VanDerWaalsContact C-N 3.32Å; L319-S321 PolarHBondContact O-N 3.07Å; L319-E322 PolarHBondContact O-N 3.07Å; L319-L324 HydrophobicContact CB-CD1 3.81Å; L319-L324 HydrophobicContact CD1-CD1 3.84Å; L319-L324 HydrophobicContact CG-CD1 4.45Å; L319-T341 HydrophobicContact CD1-CG2 4.48Å; L319-A342 HydrophobicContact CD1-CB 3.36Å
320M85.3Confident72.6Confident29 Ų2961.3 Ų61.314%0.14332%0.317CS..Hα-helixtrans-73.4-25.5-177.5-62.1-69121.600112.7C44 Y200 V202 V316 E322C44-M320 HydrophobicContact CB-CE 4.04Å; C44-M320 HydrophobicContact CB-SD 3.92Å; Y200-M320 HydrophobicContact CD1-CB 4.16Å; Y200-M320 HydrophobicContact CD1-CG 3.7Å; Y200-M320 HydrophobicContact CD1-SD 3.58Å; Y200-M320 VanDerWaalsContact CD1-SD 3.58Å; Y200-M320 HydrophobicContact CD2-CB 3.9Å; Y200-M320 HydrophobicContact CD2-CG 3.87Å; Y200-M320 HydrophobicContact CE1-CB 4.17Å; Y200-M320 HydrophobicContact CE1-CG 4.19Å; Y200-M320 HydrophobicContact CE1-SD 4.05Å; Y200-M320 HydrophobicContact CE2-CB 3.9Å; Y200-M320 HydrophobicContact CE2-CG 4.33Å; Y200-M320 HydrophobicContact CG-CB 4.01Å; Y200-M320 HydrophobicContact CG-CG 3.51Å; Y200-M320 HydrophobicContact CG-SD 3.99Å; V202-M320 HydrophobicContact CG2-CE 3.51Å; V202-M320 HydrophobicContact CG2-SD 4.24Å; V316-M320 HydrophobicContact CG1-CG 4.18Å; V316-M320 VanDerWaalsContact O-CG 3.29Å; V316-M320 WeakPolarHBondContact O-CG 3.28Å; V316-M320 PolarHBondContact O-N 3.27Å; M320-E322 VanDerWaalsContact C-N 3.26Å; M320-E322 PolarHBondContact O-N 2.86Å
321S79.6Confident70.2Confident20 Ų2070.6 Ų70.614%0.1435%0.351CS..THydrogen-bonded Turntrans-83.81.9174.2-51.40000113.5K317 L319 R323K317-S321 VanDerWaalsContact O-CB 3.28Å; K317-S321 WeakPolarHBondContact O-CB 3.25Å; K317-S321 PolarHBondContact O-N 3.48Å; K317-S321 PolarHBondContact O-OG 3.31Å; L319-S321 VanDerWaalsContact C-N 3.32Å; L319-S321 PolarHBondContact O-N 3.07Å; S321-R323 WeakPolarHBondContact O-CG 3.35Å; S321-R323 PolarHBondContact O-N 3.41Å; S321-R323 VanDerWaalsContact O-N 3.07Å
322E77.3Confident68.1Low174 Ų17477.5 Ų77.581%0.81339%0.388SS*.THydrogen-bonded Turntrans54.523.4-172.1-57.1-173.6179.900114.2L318 L319 M320L318-E322 PolarHBondContact O-N 2.83Å; L319-E322 PolarHBondContact O-N 3.07Å; M320-E322 VanDerWaalsContact C-N 3.26Å; M320-E322 PolarHBondContact O-N 2.86Å
323R71.6Confident66Low175 Ų17585.6 Ų85.666%0.6642%0.419SS*.  trans-91.23.3-177.2-67.8-177.1-174.6-173.11.7113.5L318 S321 A325L318-R323 HydrophobicContact CD2-CB 3.86Å; L318-R323 PolarHBondContact O-N 2.68Å; S321-R323 WeakPolarHBondContact O-CG 3.35Å; S321-R323 PolarHBondContact O-N 3.41Å; S321-R323 VanDerWaalsContact O-N 3.07Å; R323-A325 PolarHBondContact O-N 2.92Å
324L68.6Low64Low17 Ų1788.6 Ų88.69%0.08944%0.438CS..  trans-73.681.1168.3-68.2174.2000108.7Y315 L318 L319 G326 A342 P343 Y349Y315-L324 HydrophobicContact CD2-CD1 4.17Å; Y315-L324 HydrophobicContact CD2-CD2 4.03Å; Y315-L324 HydrophobicContact CE2-CD1 3.53Å; Y315-L324 HydrophobicContact CE2-CD2 3.92Å; Y315-L324 HydrophobicContact CE2-CG 4.41Å; L318-L324 HydrophobicContact CB-CD2 3.64Å; L318-L324 HydrophobicContact CB-CG 3.82Å; L318-L324 HydrophobicContact CD1-CD2 4.12Å; L318-L324 PolarHBondContact O-N 3.49Å; L319-L324 HydrophobicContact CB-CD1 3.81Å; L319-L324 HydrophobicContact CD1-CD1 3.84Å; L319-L324 HydrophobicContact CG-CD1 4.45Å; L324-G326 PolarHBondContact O-N 3.32Å; L324-A342 HydrophobicContact CD1-CB 3.67Å; L324-P343 WeakPolarHBondContact O-CG 3.39Å; L324-Y349 HydrophobicContact CD2-CD2 4.22Å
325A48.9Very low62.4Low93 Ų9395.9 Ų95.977%0.76947%0.474SS*.  trans-55.3109.6174.200000109.5R323R323-A325 PolarHBondContact O-N 2.92Å
326G48.3Very low61Low27 Ų27104.8 Ų104.828%0.27851%0.507SS..  trans-108.2153.816300000109.5L324 S328L324-G326 PolarHBondContact O-N 3.32Å; G326-S328 PolarHBondContact O-N 2.93Å
327P41.5Very low60.2Low96 Ų96105.8 Ų105.862%0.62352%0.515SS*.  trans-52137.716924.1-31.6000108.5
328S39.5Very low59.9Low93 Ų93106.5 Ų106.565%0.6552%0.518SS*.  trans-40.7151.3178.7540000111.6G326 H330 R331G326-S328 PolarHBondContact O-N 2.93Å; S328-H330 PolarHBondContact O-N 3.43Å; S328-R331 PolarHBondContact O-N 3.36Å
329R42.8Very low59.8Low253 Ų253104.5 Ų104.596%0.95551%0.508SS*.THydrogen-bonded Turntrans-48.910.3-174-66.6-179.5173-179.1-2.1117.2
330H40Very low59.4Low177 Ų177107.3 Ų107.382%0.81953%0.526SS*.THydrogen-bonded Turntrans-125.31.2-175.4-65-34.9000116.3S328S328-H330 PolarHBondContact O-N 3.43Å
331R38.8Very low59Low204 Ų204109.8 Ų109.877%0.7754%0.542SS*.SBendtrans-110.2113.2164.5-85.4-165.8-168.9-1473.9111.1S328 R333S328-R331 PolarHBondContact O-N 3.36Å; R331-R333 PolarHBondContact O-N 2.93Å
332L42.6Very low58.9Low169 Ų169109.2 Ų109.289%0.88554%0.539SS*.  trans1495.6158.7-71.1150.2000113.5
333R47.9Very low58.8Low169 Ų169103.8 Ų103.864%0.63852%0.519SS*.  trans-40.6125.3165.2-169.5-179.3-163.6153.49107.5R331 L335 S337R331-R333 PolarHBondContact O-N 2.93Å; R333-L335 PolarHBondContact O-N 2.88Å; R333-L335 VanDerWaalsContact O-N 3.12Å; R333-S337 PolarHBondContact NE-OG 3.24Å; R333-S337 VanDerWaalsContact NE-OG 3.08Å
334P48.9Very low59.4Low63 Ų6396.9 Ų96.941%0.40950%0.496SS..  trans-50.8128.8173.3-22.430.6000107.3R336 S337P334-R336 PolarHBondContact O-N 3.37Å; P334-S337 PolarHBondContact O-N 3.38Å
335L52Low60.4Low172 Ų17296.1 Ų96.190%0.90149%0.492SS*.THydrogen-bonded Turntrans-53.8-7.6-166.1-165.963.1000114.5R333R333-L335 PolarHBondContact O-N 2.88Å; R333-L335 VanDerWaalsContact O-N 3.12Å
336R60.3Low62.3Low187 Ų18791.7 Ų91.771%0.70646%0.455SS*.THydrogen-bonded Turntrans-148.565.7178.9-62.3-177.5-177.4166.7-2.2112.6M212 P334 Q348M212-R336 HydrophobicContact CE-CB 4.39Å; P334-R336 PolarHBondContact O-N 3.37Å; R336-Q348 PolarHBondContact O-NE2 3.27Å
337S70.9Confident64.2Low22 Ų2290.5 Ų90.515%0.15444%0.443CS..  trans-81.4114165.964.80000109.6R333 P334 C339R333-S337 PolarHBondContact NE-OG 3.24Å; R333-S337 VanDerWaalsContact NE-OG 3.08Å; P334-S337 PolarHBondContact O-N 3.38Å; S337-C339 PolarHBondContact O-N 2.72Å; S337-C339 PolarHBondContact OG-O 2.95Å
338H82.2Confident66.4Low41 Ų4187.7 Ų87.719%0.1942%0.421CS..SBendtrans-76.5-2.3175.4-43.3137.1000113.3N41 C208 M212N41-H338 WeakPolarHBondContact CB-O 3.35Å; N41-H338 PolarHBondContact ND2-O 3.1Å; C208-H338 HydrophobicContact CB-CB 4.35Å; C208-H338 PolarHBondContact O-CE1 2.86Å; C208-H338 VanDerWaalsContact O-CE1 3.24Å; M212-H338 WeakPolarHBondContact CE-CE1 3.17Å; M212-H338 WeakPolarHBondContact CE-NE2 3.37Å
339C81.9Confident68.6Low0 Ų085.1 Ų85.10%040%0.398CS..  trans-100.8134.2172.9-172.10000109.1N41 W204 S337 A342 C345N41-C339 PolarHBondContact O-SG 2.71Å; W204-C339 HydrophobicContact CH2-CB 3.82Å; W204-C339 HydrophobicContact CZ3-CB 4.17Å; S337-C339 PolarHBondContact O-N 2.72Å; S337-C339 PolarHBondContact OG-O 2.95Å; C339-A342 PolarHBondContact SG-N 3.41Å; C339-C345 HydrophobicContact CB-CB 4.29Å
340T78.5Confident70.7Confident73 Ų7373 Ų7345%0.44835%0.352SS..SBendtrans-88.7-27.617652.10000111.9T40 N41T40-T340 HydrophobicContact CG2-CG2 4.34Å; T40-T340 PolarHBondContact OG1-OG1 3.12Å; N41-T340 PolarHBondContact O-N 3.14Å; N41-T340 VanDerWaalsContact O-N 3.09Å; N41-T340 PolarHBondContact O-OG1 2.98Å
341T76.8Confident72.8Confident80 Ų8067.7 Ų67.749%0.49133%0.327SS..SBendtrans-93.6-26.6-168.7-52.40000113.1G42 L319G42-T341 PolarHBondContact O-OG1 3.44Å; L319-T341 HydrophobicContact CD1-CG2 4.48Å
342A78Confident74.9Confident8 Ų861.8 Ų61.87%0.06631%0.313CS..SBendtrans-122.2153.9-179.800000113.5L319 L324 C339 V344L319-A342 HydrophobicContact CD1-CB 3.36Å; L324-A342 HydrophobicContact CD1-CB 3.67Å; C339-A342 PolarHBondContact SG-N 3.41Å; A342-V344 VanDerWaalsContact C-N 3.29Å; A342-V344 PolarHBondContact O-N 3.46Å
343P75Confident76.8Confident60 Ų6059 Ų5939%0.3929%0.294SS..SBendtrans-70-25.7178.928.2-34.9000113.1L324L324-P343 WeakPolarHBondContact O-CG 3.39Å
344V83Confident78.3Confident31 Ų3151 Ų5119%0.18826%0.264CS..SBendtrans-118123.4-179.1-176.30000109Y315 A342 Q348Y315-V344 PolarHBondContact OH-O 2.79Å; A342-V344 VanDerWaalsContact C-N 3.29Å; A342-V344 PolarHBondContact O-N 3.46Å; V344-Q348 HydrophobicContact CG1-CB 3.84Å
345C89.4Confident79.6Confident0 Ų048.9 Ų48.90%025%0.249CC..  trans-78.6156.2175.2-1700000111.4C209 C339 C347 Q348 Y349C209-C345 PolarHBondContact SG-SG 3.44Å; C339-C345 HydrophobicContact CB-CB 4.29Å; C345-C347 VanDerWaalsContact C-N 3.33Å; C345-C347 PolarHBondContact O-N 2.96Å; C345-Q348 HydrophobicContact CB-CG 4.33Å; C345-Q348 VanDerWaalsContact N-OE1 3.12Å; C345-Q348 WeakPolarHBondContact O-CA 3.09Å; C345-Q348 WeakPolarHBondContact O-CB 3.35Å; C345-Q348 PolarHBondContact O-N 2.92Å; C345-Y349 PolarHBondContact O-N 3.41Å
346L88.9Confident80.6Confident0 Ų046.9 Ų46.90%024%0.235CC..Hα-helixtrans-52.5-45.2-179.6176.461000113.4M183 W204 M206 L308 Y315 Q348 Y349 I350M183-L346 HydrophobicContact SD-CD2 4.14Å; W204-L346 HydrophobicContact CH2-CB 4.17Å; W204-L346 HydrophobicContact CZ2-CB 3.55Å; M206-L346 HydrophobicContact CE-CD2 3.55Å; M206-L346 HydrophobicContact SD-CD2 3.92Å; L308-L346 HydrophobicContact CD2-CD2 3.74Å; L308-L346 HydrophobicContact CD2-CG 3.77Å; Y315-L346 VanDerWaalsContact CB-CD1 3.47Å; Y315-L346 HydrophobicContact CD1-CB 4.06Å; Y315-L346 HydrophobicContact CD1-CD1 4.1Å; Y315-L346 HydrophobicContact CD2-CB 4.26Å; Y315-L346 HydrophobicContact CD2-CD1 3.93Å; Y315-L346 HydrophobicContact CE1-CB 4.07Å; Y315-L346 HydrophobicContact CE2-CB 4.27Å; Y315-L346 HydrophobicContact CG-CB 4.16Å; Y315-L346 HydrophobicContact CG-CD1 3.56Å; Y315-L346 HydrophobicContact CG-CG 4.39Å; L346-Q348 VanDerWaalsContact C-N 3.32Å; L346-Q348 PolarHBondContact O-N 2.92Å; L346-Y349 WeakPolarHBondContact O-CB 3.33Å; L346-Y349 PolarHBondContact O-N 3.42Å; L346-I350 HydrophobicContact CD1-CD1 4.03Å; L346-I350 HydrophobicContact CD1-CG1 4.32Å; L346-I350 HydrophobicContact CG-CD1 4.09Å; L346-I350 WeakPolarHBondContact O-CG1 3.37Å; L346-I350 PolarHBondContact O-N 2.89Å
347C88.6Confident81.6Confident3 Ų339.9 Ų39.92%0.0221%0.212CC..Hα-helixtrans-62.8-36.7176.9520000112.9C209 M212 L213 C345 K351C209-C347 HydrophobicContact CB-CB 3.99Å; M212-C347 HydrophobicContact SD-CB 4.2Å; M212-C347 PolarHBondContact SD-SG 3.19Å; L213-C347 HydrophobicContact CB-CB 4.39Å; C345-C347 VanDerWaalsContact C-N 3.33Å; C345-C347 PolarHBondContact O-N 2.96Å; C347-K351 WeakPolarHBondContact O-CB 3.13Å; C347-K351 PolarHBondContact O-N 3.3Å
348Q87.6Confident82.2Confident37 Ų3740.8 Ų40.817%0.17322%0.215CC..Hα-helixtrans-70.4-40.8175.9-66.7172.3-17.700111R336 V344 C345 L346 I350 K351 T352R336-Q348 PolarHBondContact O-NE2 3.27Å; V344-Q348 HydrophobicContact CG1-CB 3.84Å; C345-Q348 HydrophobicContact CB-CG 4.33Å; C345-Q348 VanDerWaalsContact N-OE1 3.12Å; C345-Q348 WeakPolarHBondContact O-CA 3.09Å; C345-Q348 WeakPolarHBondContact O-CB 3.35Å; C345-Q348 PolarHBondContact O-N 2.92Å; L346-Q348 VanDerWaalsContact C-N 3.32Å; L346-Q348 PolarHBondContact O-N 2.92Å; Q348-I350 VanDerWaalsContact C-N 3.33Å; Q348-I350 PolarHBondContact O-N 2.99Å; Q348-K351 PolarHBondContact O-N 3.47Å; Q348-T352 PolarHBondContact O-N 2.96Å; Q348-T352 PolarHBondContact O-OG1 3.05Å
349Y87Confident82.1Confident38 Ų3840.8 Ų40.815%0.14922%0.216CC..Hα-helixtrans-57.5-47.6174.3175.1-95.5000111Y311 Y315 L318 L324 C345 L346 T352 K353Y311-Y349 AromaticContact CD1-CE1 3.85Å; Y311-Y349 HydrophobicContact CD1-CE1 3.85Å; Y311-Y349 HydrophobicContact CE1-CE1 4.48Å; Y311-Y349 HydrophobicContact CG-CE1 4.46Å; Y315-Y349 HydrophobicContact CD2-CD1 4.46Å; Y315-Y349 HydrophobicContact CD2-CG 4.23Å; L318-Y349 HydrophobicContact CD1-CE2 3.61Å; L318-Y349 WeakPolarHBondContact CD1-OH 3.09Å; L324-Y349 HydrophobicContact CD2-CD2 4.22Å; C345-Y349 PolarHBondContact O-N 3.41Å; L346-Y349 WeakPolarHBondContact O-CB 3.33Å; L346-Y349 PolarHBondContact O-N 3.42Å; Y349-T352 PolarHBondContact O-N 2.83Å; Y349-K353 HydrophobicContact CD1-CG 4.39Å; Y349-K353 HydrophobicContact CD2-CG 4.09Å; Y349-K353 HydrophobicContact CE1-CB 4.47Å; Y349-K353 HydrophobicContact CE1-CG 4.02Å; Y349-K353 HydrophobicContact CE2-CD 4.39Å; Y349-K353 HydrophobicContact CE2-CG 3.72Å; Y349-K353 HydrophobicContact CG-CG 4.41Å; Y349-K353 VanDerWaalsContact O-CB 3.25Å; Y349-K353 WeakPolarHBondContact O-CB 3.31Å; Y349-K353 WeakPolarHBondContact O-CG 3.47Å; Y349-K353 PolarHBondContact O-N 3.35Å
350I85.9Confident82.2Confident0 Ų043.2 Ų43.20%023%0.229CC..Hα-helixtrans-62.8-45.2176.9-67.3165.5000110.8L213 L307 L308 Y311 L346 Q348 T352 K353 V354L213-I350 HydrophobicContact CD1-CG2 4.06Å; L213-I350 HydrophobicContact CD2-CD1 4.16Å; L213-I350 HydrophobicContact CD2-CG2 4.09Å; L307-I350 HydrophobicContact CB-CD1 4.41Å; L307-I350 HydrophobicContact CB-CG2 4.13Å; L307-I350 HydrophobicContact CD1-CG2 4.16Å; L308-I350 HydrophobicContact CD2-CD1 3.58Å; L308-I350 HydrophobicContact CG-CD1 4.1Å; Y311-I350 HydrophobicContact CD2-CG1 4.04Å; Y311-I350 HydrophobicContact CG-CG1 4.15Å; L346-I350 HydrophobicContact CD1-CD1 4.03Å; L346-I350 HydrophobicContact CD1-CG1 4.32Å; L346-I350 HydrophobicContact CG-CD1 4.09Å; L346-I350 WeakPolarHBondContact O-CG1 3.37Å; L346-I350 PolarHBondContact O-N 2.89Å; Q348-I350 VanDerWaalsContact C-N 3.33Å; Q348-I350 PolarHBondContact O-N 2.99Å; I350-T352 VanDerWaalsContact C-N 3.32Å; I350-T352 PolarHBondContact O-N 3Å; I350-K353 PolarHBondContact O-N 3.01Å; I350-V354 HydrophobicContact CG2-CB 4.3Å; I350-V354 HydrophobicContact CG2-CG2 4.11Å; I350-V354 VanDerWaalsContact O-CB 3.32Å; I350-V354 WeakPolarHBondContact O-CB 3.47Å; I350-V354 PolarHBondContact O-N 3.44Å
351K84.8Confident82.4Confident65 Ų6541.4 Ų41.428%0.28322%0.215SC..Iπ-helixtrans-54.4-49.2177-176173.5-175.8160.90111.3T216 C347 Q348 L355 Q356T216-K351 HydrophobicContact CG2-CD 4.02Å; T216-K351 HydrophobicContact CG2-CG 4.32Å; C347-K351 WeakPolarHBondContact O-CB 3.13Å; C347-K351 PolarHBondContact O-N 3.3Å; Q348-K351 PolarHBondContact O-N 3.47Å; K351-L355 CarbonylContact O-C 3.6Å; K351-L355 WeakPolarHBondContact O-CA 3.48Å; K351-L355 WeakPolarHBondContact O-CB 3.49Å; K351-L355 PolarHBondContact O-N 3.18Å; K351-L355 VanDerWaalsContact O-N 3.08Å; K351-Q356 PolarHBondContact O-N 3.45Å; K351-Q356 VanDerWaalsContact O-N 3.08Å
352T83.4Confident82.8Confident80 Ų8038.8 Ų38.849%0.49120%0.197SC..Iπ-helixtrans-74.2-29.3-179.1-54.70000113.5Q348 Y349 I350Q348-T352 PolarHBondContact O-N 2.96Å; Q348-T352 PolarHBondContact O-OG1 3.05Å; Y349-T352 PolarHBondContact O-N 2.83Å; I350-T352 VanDerWaalsContact C-N 3.32Å; I350-T352 PolarHBondContact O-N 3Å
353K80.8Confident83.1Confident111 Ų11141 Ų4148%0.48321%0.206SC..Iπ-helixtrans-89.6-28.8-177.3-75.2-70.5-175.1-178.30113.9R234 Y349 I350R234-K353 WeakPolarHBondContact CD-O 3.3Å; R234-K353 PolarHBondContact NH1-O 3.13Å; Y349-K353 HydrophobicContact CD1-CG 4.39Å; Y349-K353 HydrophobicContact CD2-CG 4.09Å; Y349-K353 HydrophobicContact CE1-CB 4.47Å; Y349-K353 HydrophobicContact CE1-CG 4.02Å; Y349-K353 HydrophobicContact CE2-CD 4.39Å; Y349-K353 HydrophobicContact CE2-CG 3.72Å; Y349-K353 HydrophobicContact CG-CG 4.41Å; Y349-K353 VanDerWaalsContact O-CB 3.25Å; Y349-K353 WeakPolarHBondContact O-CB 3.31Å; Y349-K353 WeakPolarHBondContact O-CG 3.47Å; Y349-K353 PolarHBondContact O-N 3.35Å; I350-K353 PolarHBondContact O-N 3.01Å
354V80.8Confident83.7Confident0 Ų039.5 Ų39.50%019%0.192CC..Iπ-helixtrans-114.5-39-171-174.30000111.9M231 M235 L307 Y311 I350M231-V354 HydrophobicContact CB-CG1 4.09Å; M231-V354 HydrophobicContact CG-CG1 3.68Å; M231-V354 HydrophobicContact SD-CG1 4.43Å; M235-V354 HydrophobicContact SD-CG1 4.32Å; L307-V354 HydrophobicContact CD2-CG1 4.26Å; Y311-V354 HydrophobicContact CD2-CG2 4.37Å; Y311-V354 HydrophobicContact CE2-CG2 3.49Å; Y311-V354 VanDerWaalsContact CE2-CG2 3.49Å; Y311-V354 WeakPolarHBondContact OH-CG2 3.36Å; I350-V354 HydrophobicContact CG2-CB 4.3Å; I350-V354 HydrophobicContact CG2-CG2 4.11Å; I350-V354 VanDerWaalsContact O-CB 3.32Å; I350-V354 WeakPolarHBondContact O-CB 3.47Å; I350-V354 PolarHBondContact O-N 3.44Å
355L75.8Confident83.8Confident19 Ų1940.3 Ų40.310%0.09919%0.192CC..Iπ-helixtrans-102.4-16-169.2-55.2178.6000114.3L213 T216 L217 K351L213-L355 HydrophobicContact CD1-CD1 4.11Å; T216-L355 HydrophobicContact CG2-CD1 4Å; L217-L355 HydrophobicContact CD2-CD1 3.92Å; L217-L355 HydrophobicContact CD2-CD2 3.86Å; L217-L355 HydrophobicContact CG-CD1 4.46Å; K351-L355 CarbonylContact O-C 3.6Å; K351-L355 WeakPolarHBondContact O-CA 3.48Å; K351-L355 WeakPolarHBondContact O-CB 3.49Å; K351-L355 PolarHBondContact O-N 3.18Å; K351-L355 VanDerWaalsContact O-N 3.08Å
356Q72.6Confident83.3Confident130 Ų13043.9 Ų43.961%0.60721%0.21SC*.  trans-124.20176.3-62.9178.5-24.100108.9R234 K351R234-Q356 PolarHBondContact NH1-OXT 2.77Å; R234-Q356 PolarHBondContact NH2-O 3.4Å; R234-Q356 PolarHBondContact NH2-OXT 3.35Å; K351-Q356 PolarHBondContact O-N 3.45Å; K351-Q356 VanDerWaalsContact O-N 3.08Å

Retrieved 356 of 356 residues in 594 ms (Link to these results)