A0A096M2T2_POEFO Loading...

Storkhead box 2

AlphaFold DB , UniProt , Accession A0A096M2T2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,023 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.3Very low58.1Low243 Ų243108.8 Ų108.8100%1.19756%0.561SS**  0111.50-66173.9-177.500105.7
2E39.5Very low60.8Low166 Ų16699.8 Ų99.878%0.77651%0.514SS*.  trans-75.6131.6173.2-71.5159.2135.900108.2F4E2-F4 PolarHBondContact O-N 3.43Å
3S43.9Very low63.2Low112 Ų11292.4 Ų92.478%0.78348%0.477SS*.  trans-76.591.9172.952.20000108.3L5S3-L5 PolarHBondContact O-N 3.11Å
4F46.8Very low65.3Low168 Ų16885.8 Ų85.874%0.73744%0.443SS*.  trans-51.5116.4168-69.5-83000108.5E2 Q6E2-F4 PolarHBondContact O-N 3.43Å; F4-Q6 PolarHBondContact O-N 2.79Å
5L46.7Very low67Low144 Ų14482.5 Ų82.575%0.75443%0.429SS*.  trans-66.219.6-163.2-127.9167.3000117S3 I7 P118S3-L5 PolarHBondContact O-N 3.11Å; L5-I7 PolarHBondContact O-N 2.67Å; L5-P118 HydrophobicContact CB-CB 3.85Å; L5-P118 HydrophobicContact CB-CG 4.09Å
6Q53.4Low68.5Low86 Ų8677.5 Ų77.540%0.40240%0.403SS..  trans51.748.9148.9-88.9-173.5-2.900120.2F4 A8 V116 P118F4-Q6 PolarHBondContact O-N 2.79Å; Q6-A8 PolarHBondContact NE2-O 3.38Å; Q6-A8 WeakPolarHBondContact O-CA 3.4Å; Q6-A8 PolarHBondContact O-N 2.74Å; Q6-V116 PolarHBondContact NE2-O 3.34Å; Q6-P118 VanDerWaalsContact N-CB 3.34Å
7I59.5Low69.8Low105 Ų10573.8 Ų73.854%0.53839%0.386SS..SBendtrans-41.2-50-177.3-86.6167.9000111.7L5 V116 P118L5-I7 PolarHBondContact O-N 2.67Å; I7-V116 HydrophobicContact CB-CG1 3.99Å; I7-V116 HydrophobicContact CD1-CG1 4.13Å; I7-V116 HydrophobicContact CG2-CG1 3.86Å; I7-P118 VanDerWaalsContact CD1-O 3.3Å; I7-P118 WeakPolarHBondContact CD1-O 3.46Å; I7-P118 HydrophobicContact CG1-CB 4.29Å
8A64.9Low70.8Confident14 Ų1476.4 Ų76.412%0.11639%0.39CS..SBendtrans-146.7135151.900000109Q6 S11 L73Q6-A8 PolarHBondContact NE2-O 3.38Å; Q6-A8 WeakPolarHBondContact O-CA 3.4Å; Q6-A8 PolarHBondContact O-N 2.74Å; A8-S11 WeakPolarHBondContact O-CB 3.44Å; A8-S11 PolarHBondContact O-OG 3.16Å; A8-L73 HydrophobicContact CB-CD1 3.87Å; A8-L73 HydrophobicContact CB-CD2 4.47Å
9P71.8Confident71.1Confident68 Ų6876 Ų7644%0.44239%0.388SS..THydrogen-bonded Turntrans-64143.2171.328.4-34.2000110.1Q84P9-Q84 PolarHBondContact O-NE2 3.37Å
10H85.1Confident70.5Confident88 Ų8875.4 Ų75.441%0.40740%0.401SS..THydrogen-bonded Turntrans53.555.5-175.7-45.4-64.7000112.1Q84 G85 E87 L90H10-Q84 WeakPolarHBondContact O-CA 3.44Å; H10-Q84 WeakPolarHBondContact O-CG 3.46Å; H10-G85 VanDerWaalsContact CB-O 3.25Å; H10-G85 WeakPolarHBondContact CB-O 3.36Å; H10-G85 PolarHBondContact O-N 2.85Å; H10-G85 VanDerWaalsContact O-N 3.14Å; H10-E87 IonicContact CE1-OE2 3.11Å; H10-E87 IonicContact CG-OE2 2.83Å; H10-E87 IonicContact ND1-OE2 2.73Å; H10-E87 PolarHBondContact ND1-OE2 3.07Å; H10-L90 HydrophobicContact CB-CD1 3.82Å; H10-L90 VanDerWaalsContact O-CD1 3.29Å; H10-L90 WeakPolarHBondContact O-CD1 3.25Å
11S89.9Confident69.3Low3 Ų375.2 Ų75.22%0.02142%0.418CS..EExtended strand (participates in β ladder)trans-128.9145.3176.666.20000113.4A8 L73 I83 V116A8-S11 WeakPolarHBondContact O-CB 3.44Å; A8-S11 PolarHBondContact O-OG 3.16Å; S11-L73 VanDerWaalsContact CB-CD1 3.42Å; S11-I83 CarbonylContact C-O 3.5Å; S11-I83 VanDerWaalsContact CA-O 3.25Å; S11-I83 WeakPolarHBondContact CA-O 3.33Å; S11-I83 WeakPolarHBondContact CB-O 3.44Å; S11-V116 PolarHBondContact O-N 2.96Å; S11-V116 VanDerWaalsContact O-N 3.16Å; S11-V116 WeakPolarHBondContact OG-CB 3.4Å
12L91.1Very high69.4Low0 Ų068.4 Ų68.40%040%0.4CS..EExtended strand (participates in β ladder)trans-129.4137.5-173.6-168.977.3000108.1I83 L90 L93 L113 I124L12-I83 HydrophobicContact CB-CG1 3.97Å; L12-I83 HydrophobicContact CD2-CD1 4.22Å; L12-I83 PolarHBondContact N-O 3.08Å; L12-I83 PolarHBondContact O-N 3.3Å; L12-L90 HydrophobicContact CB-CD2 4.14Å; L12-L93 HydrophobicContact CD2-CB 4.1Å; L12-L93 HydrophobicContact CD2-CD1 4.31Å; L12-L113 HydrophobicContact CD1-CD2 3.93Å; L12-L113 HydrophobicContact CD1-CG 4.32Å; L12-L113 HydrophobicContact CD2-CD1 3.87Å; L12-L113 HydrophobicContact CD2-CD2 3.98Å; L12-L113 HydrophobicContact CD2-CG 3.87Å; L12-L113 HydrophobicContact CG-CD2 4.24Å; L12-L113 HydrophobicContact CG-CG 4.12Å; L12-I124 HydrophobicContact CD1-CD1 4.43Å
13A91.9Very high69.4Low4 Ų468.8 Ų68.83%0.03340%0.402CS..EExtended strand (participates in β ladder)trans-104.1140.6173.900000110.1V80 L81 L82 L113 G114 V116 M121A13-V80 HydrophobicContact CB-CG1 3.9Å; A13-L81 WeakPolarHBondContact CA-O 3.48Å; A13-L82 HydrophobicContact CB-CD2 3.58Å; A13-L113 WeakPolarHBondContact O-CA 3.33Å; A13-G114 PolarHBondContact N-O 3.02Å; A13-G114 PolarHBondContact O-N 3.21Å; A13-V116 HydrophobicContact CB-CG2 3.73Å; A13-M121 HydrophobicContact CB-CE 3.47Å; A13-M121 VanDerWaalsContact CB-CE 3.47Å; A13-M121 HydrophobicContact CB-CG 4.42Å; A13-M121 WeakPolarHBondContact O-CE 3.23Å
14I92.1Very high69.2Low0 Ų067.3 Ų67.30%040%0.396CS..EExtended strand (participates in β ladder)trans-121.8111.5175.7-51.2-174.5000107.3L16 F49 V80 L81 I83 I110 L113I14-L16 HydrophobicContact CG2-CD2 3.73Å; I14-L16 HydrophobicContact CG2-CG 4.29Å; I14-F49 HydrophobicContact CD1-CE1 3.96Å; I14-F49 HydrophobicContact CD1-CE2 3.98Å; I14-F49 HydrophobicContact CD1-CZ 3.67Å; I14-V80 WeakPolarHBondContact O-CA 3.49Å; I14-L81 HydrophobicContact CB-CB 4.34Å; I14-L81 PolarHBondContact N-O 3.49Å; I14-L81 PolarHBondContact O-N 3.36Å; I14-I83 HydrophobicContact CD1-CD1 4Å; I14-I110 HydrophobicContact CG2-CB 4.42Å; I14-I110 HydrophobicContact CG2-CD1 4.37Å; I14-I110 HydrophobicContact CG2-CG1 3.87Å; I14-I110 HydrophobicContact CG2-CG2 3.69Å; I14-L113 HydrophobicContact CD1-CD1 4.25Å; I14-L113 HydrophobicContact CG1-CD1 4.09Å; I14-L113 HydrophobicContact CG1-CG 4.43Å
15V91Very high68.8Low37 Ų3765.6 Ų65.622%0.22441%0.405CS..EExtended strand (participates in β ladder)trans-85.1115.3175.5-173.50000108.4V80 I110 K111 C112 M121V15-V80 HydrophobicContact CG2-CG2 4.24Å; V15-I110 CarbonylContact O-C 3.51Å; V15-K111 HydrophobicContact CG1-CB 4.39Å; V15-K111 PolarHBondContact O-N 3.28Å; V15-C112 HydrophobicContact CB-CB 4.04Å; V15-C112 HydrophobicContact CG2-CB 4.04Å; V15-C112 PolarHBondContact N-O 2.91Å; V15-C112 PolarHBondContact O-N 3.13Å; V15-M121 HydrophobicContact CG2-CE 3.72Å; V15-M121 HydrophobicContact CG2-SD 4.27Å
16L91.8Very high68.4Low2 Ų263.3 Ų63.31%0.0141%0.407CS..EExtended strand (participates in β ladder)trans-105.8152.6179-56.6177.9000110.3I14 I45 W75 H79 L81 P105 F108 T109 I110I14-L16 HydrophobicContact CG2-CD2 3.73Å; I14-L16 HydrophobicContact CG2-CG 4.29Å; L16-I45 HydrophobicContact CD1-CG2 3.57Å; L16-W75 HydrophobicContact CB-CH2 4.4Å; L16-W75 HydrophobicContact CD1-CH2 3.95Å; L16-W75 HydrophobicContact CD1-CZ3 3.87Å; L16-H79 PolarHBondContact N-O 3.39Å; L16-L81 HydrophobicContact CD1-CB 4.31Å; L16-P105 HydrophobicContact CD1-CG 3.81Å; L16-P105 HydrophobicContact CD2-CG 4.29Å; L16-F108 HydrophobicContact CB-CB 4.35Å; L16-F108 HydrophobicContact CB-CD1 3.63Å; L16-F108 HydrophobicContact CB-CE1 4.26Å; L16-F108 HydrophobicContact CB-CG 4.29Å; L16-F108 HydrophobicContact CD1-CD1 4.2Å; L16-F108 HydrophobicContact CD1-CG 4.34Å; L16-T109 CarbonylContact C-O 3.6Å; L16-T109 WeakPolarHBondContact CA-O 3.16Å; L16-I110 HydrophobicContact CD2-CB 4.24Å; L16-I110 HydrophobicContact CD2-CG1 3.5Å; L16-I110 VanDerWaalsContact CD2-CG1 3.5Å
17A89.8Confident67.6Low14 Ų1463.3 Ų63.312%0.11642%0.422CS..EExtended strand (participates in β ladder)trans-127146.1164.500000109.5F108 T109 K111A17-F108 CarbonylContact O-C 3.53Å; A17-F108 WeakPolarHBondContact O-CA 3.49Å; A17-F108 WeakPolarHBondContact O-CD1 3.44Å; A17-T109 PolarHBondContact N-O 3.36Å; A17-T109 PolarHBondContact O-N 3.03Å; A17-K111 HydrophobicContact CB-CD 3.82Å; A17-K111 HydrophobicContact CB-CG 4.19Å
18R87.5Confident66.7Low122 Ų12263.7 Ų63.746%0.4644%0.441SS..EExtended strand (participates in β ladder)trans-81.4127.9179-64179.483145.57.5110F108R18-F108 HydrophobicContact CB-CE1 4.46Å; R18-F108 HydrophobicContact CG-CD1 3.81Å; R18-F108 HydrophobicContact CG-CE1 3.32Å; R18-F108 HydrophobicContact CG-CZ 3.8Å
19D77.4Confident65.3Low68 Ų6866.3 Ų66.336%0.36447%0.469SS..THydrogen-bonded Turntrans-76.1127.5178.5-54.7-38.6000109.2G107 F108 T109D19-G107 PolarHBondContact N-O 3.11Å; D19-F108 WeakPolarHBondContact OD2-CA 3.08Å; D19-F108 PolarHBondContact OD2-N 3.49Å; D19-T109 WeakPolarHBondContact OD1-CB 2.94Å; D19-T109 VanDerWaalsContact OD1-CG2 3.27Å; D19-T109 WeakPolarHBondContact OD1-CG2 3.29Å; D19-T109 PolarHBondContact OD1-N 3.05Å; D19-T109 PolarHBondContact OD1-OG1 3.37Å
20G59.3Low63.5Low63 Ų6370.2 Ų70.265%0.64949%0.491SS*.THydrogen-bonded Turntrans90.4-0.5-177.900000116.8A22G20-A22 PolarHBondContact O-N 3.11Å
21G43.9Very low61Low72 Ų7271 Ų7174%0.74251%0.507SS*.THydrogen-bonded Turntrans-67.70.9-172.500000118.2
22A40Very low58.7Low100 Ų10079.5 Ų79.583%0.82655%0.546SS*.THydrogen-bonded Turntrans-98.9-30.7-170.200000115.6G20G20-A22 PolarHBondContact O-N 3.11Å
23E39.8Very low56Low175 Ų17584.9 Ų84.982%0.81858%0.584SS**THydrogen-bonded Turntrans-125.1-15.1-172.2-63.1-166.3140.500114.5S25E23-S25 PolarHBondContact O-N 3.24Å
24A39.3Very low53.5Low80 Ų8092.1 Ų92.166%0.66162%0.622SS**G310 helixtrans-66.1-13.1-172.500000115.4A26A24-A26 PolarHBondContact O-N 3.36Å
25S37.6Very low51Low132 Ų13297.7 Ų97.792%0.92365%0.648SS**G310 helixtrans-74.8-2.9-176-166.10000114.9E23E23-S25 PolarHBondContact O-N 3.24Å
26A40Very low49.1Very low97 Ų97100.7 Ų100.780%0.80266%0.662SS**G310 helixtrans-106.8-8.6-173.400000115.3A24A24-A26 PolarHBondContact O-N 3.36Å
27A34.8Very low47.3Very low86 Ų86103.2 Ų103.271%0.71168%0.679SS**  trans-131.983.5-168.600000113.3G29A27-G29 PolarHBondContact O-N 2.94Å
28A42Very low45.7Very low113 Ų113109.8 Ų109.893%0.93470%0.7SS**  trans-79.8110.2169.900000110.8
29G34.2Very low44.8Very low68 Ų68105 Ų10570%0.70168%0.683SS**  trans176.785.6177.900000117.4A27A27-G29 PolarHBondContact O-N 2.94Å
30V35.6Very low44.1Very low150 Ų150108.8 Ų108.891%0.90970%0.698SS**  trans54.399.4149.7-169.50000118.5
31S30.9Very low45.3Very low105 Ų105108.7 Ų108.773%0.73469%0.686SS**  -167.599.2125.8-166.50000111.1S33S31-S33 PolarHBondContact O-N 3.27Å; S31-S33 VanDerWaalsContact O-N 3.11Å
32E41.5Very low47.3Very low181 Ų181105.6 Ų105.685%0.84665%0.653SS**THydrogen-bonded Turntrans-84.978.9-177.6-170.6176.4-152.300110.7
33S35.7Very low49.8Very low113 Ų113107.8 Ų107.879%0.7964%0.641SS**THydrogen-bonded Turntrans-153.9-11.7175.8-71.60000116.3S31S31-S33 PolarHBondContact O-N 3.27Å; S31-S33 VanDerWaalsContact O-N 3.11Å
34D38.8Very low52.2Low157 Ų157102.3 Ų102.384%0.8462%0.616SS**SBendtrans-142.950.7172.5-162.121.7000110.2L36D34-L36 PolarHBondContact O-N 3.16Å
35E40.5Very low54.7Low116 Ų11698.6 Ų98.654%0.54259%0.585SS.*  trans-78.2114.8177.6-164.2174.6-122.800109.4R38E35-R38 VanDerWaalsContact CD-NE 3.26Å; E35-R38 IonicContact OE1-CZ 3.2Å; E35-R38 IonicContact OE1-NE 3.95Å; E35-R38 PolarHBondContact OE1-NE 2.87Å; E35-R38 IonicContact OE1-NH2 2.67Å; E35-R38 PolarHBondContact OE1-NH2 3Å; E35-R38 IonicContact OE2-CZ 2.99Å; E35-R38 IonicContact OE2-NE 3.69Å; E35-R38 PolarHBondContact OE2-NE 3.17Å; E35-R38 IonicContact OE2-NH2 2.79Å; E35-R38 PolarHBondContact OE2-NH2 2.84Å
36L50.8Low57.3Low100 Ų10092.8 Ų92.852%0.52454%0.543SS..  trans-46.3140.8175.3-75.7172000110.7D34 R38D34-L36 PolarHBondContact O-N 3.16Å; L36-R38 PolarHBondContact O-N 3.09Å
37P54.5Low59.7Low56 Ų5690.2 Ų90.236%0.36452%0.521SS..  trans-49.4112.8179.3-28.735.8000111H39 R106P37-H39 PolarHBondContact O-CD2 3.01Å; P37-H39 PolarHBondContact O-N 3.24Å; P37-R106 HydrophobicContact CG-CB 4.01Å
38R55.6Low62.4Low151 Ų15187.6 Ų87.657%0.5750%0.496SS*.  trans-6986.8171.3-64-171.5-166.6-176.85.4106.9E35 L36 H40E35-R38 VanDerWaalsContact CD-NE 3.26Å; E35-R38 IonicContact OE1-CZ 3.2Å; E35-R38 IonicContact OE1-NE 3.95Å; E35-R38 PolarHBondContact OE1-NE 2.87Å; E35-R38 IonicContact OE1-NH2 2.67Å; E35-R38 PolarHBondContact OE1-NH2 3Å; E35-R38 IonicContact OE2-CZ 2.99Å; E35-R38 IonicContact OE2-NE 3.69Å; E35-R38 PolarHBondContact OE2-NE 3.17Å; E35-R38 IonicContact OE2-NH2 2.79Å; E35-R38 PolarHBondContact OE2-NH2 2.84Å; L36-R38 PolarHBondContact O-N 3.09Å; R38-H40 PolarHBondContact O-CE1 3Å; R38-H40 PolarHBondContact O-N 3.23Å; R38-H40 PolarHBondContact O-ND1 3.06Å
39H67.7Low64.8Low22 Ų2282.2 Ų82.210%0.10245%0.451CS..  trans-67.4110.7169.3-68.6-61.9000108.1P37 E44 I45 D48 F108P37-H39 PolarHBondContact O-CD2 3.01Å; P37-H39 PolarHBondContact O-N 3.24Å; H39-E44 WeakPolarHBondContact CA-OE2 3.18Å; H39-E44 WeakPolarHBondContact CE1-CB 3.38Å; H39-E44 IonicContact CE1-OE2 3.76Å; H39-E44 PolarHBondContact CE1-OE2 2.69Å; H39-E44 WeakPolarHBondContact ND1-CB 3.12Å; H39-I45 HydrophobicContact CB-CD1 4.05Å; H39-I45 HydrophobicContact CB-CG1 3.57Å; H39-D48 VanDerWaalsContact NE2-CB 3.33Å; H39-D48 WeakPolarHBondContact NE2-CB 3.45Å; H39-D48 IonicContact NE2-OD1 2.74Å; H39-D48 PolarHBondContact NE2-OD1 3.08Å; H39-D48 IonicContact NE2-OD2 3.1Å; H39-D48 PolarHBondContact NE2-OD2 2.95Å; H39-F108 AromaticContact CD2-CE2 3.86Å
40H63.3Low67.5Low147 Ų14781.2 Ų81.268%0.68143%0.427SS*.  trans-92.3-16.4178.1-6091.4000111.3R38 E44R38-H40 PolarHBondContact O-CE1 3Å; R38-H40 PolarHBondContact O-N 3.23Å; R38-H40 PolarHBondContact O-ND1 3.06Å; H40-E44 PolarHBondContact N-OE2 3.43Å
41T85.1Confident70Confident62 Ų6275.3 Ų75.338%0.3840%0.395SS..SBendtrans-139.6148.617669.80000112.6Y43 E44 I45T41-Y43 PolarHBondContact O-N 2.79Å; T41-Y43 VanDerWaalsContact O-N 3.15Å; T41-E44 WeakPolarHBondContact CB-OE1 3.49Å; T41-E44 WeakPolarHBondContact CG2-OE1 3.41Å; T41-E44 PolarHBondContact N-OE1 3.36Å; T41-E44 PolarHBondContact N-OE2 2.78Å; T41-E44 WeakPolarHBondContact O-CB 3.4Å; T41-E44 PolarHBondContact O-N 3.4Å; T41-E44 WeakPolarHBondContact OG1-CG 3.42Å; T41-E44 PolarHBondContact OG1-N 2.76Å; T41-E44 PolarHBondContact OG1-OE1 3.45Å; T41-I45 PolarHBondContact O-N 3.4Å
42G86.6Confident72.7Confident6 Ų670.9 Ų70.96%0.06236%0.362CS..Hα-helixtrans-62.1-17.2172.100000115I45 F46 F72 W75G42-I45 PolarHBondContact O-N 3.18Å; G42-F46 PolarHBondContact O-N 2.91Å; G42-F72 WeakPolarHBondContact O-CE2 3.39Å; G42-W75 VanDerWaalsContact CA-CG 3.48Å
43Y90.6Very high74.9Confident146 Ų14662.3 Ų62.357%0.57332%0.322SS*.Hα-helixtrans-73-34.1172.2-175.4-93.7000111.9T41 F46 A47 F72T41-Y43 PolarHBondContact O-N 2.79Å; T41-Y43 VanDerWaalsContact O-N 3.15Å; Y43-F46 HydrophobicContact CE2-CD1 4.42Å; Y43-F46 PolarHBondContact O-N 3.32Å; Y43-A47 WeakPolarHBondContact O-CB 3.38Å; Y43-A47 PolarHBondContact O-N 2.75Å; Y43-F72 HydrophobicContact CD2-CB 4.13Å; Y43-F72 HydrophobicContact CD2-CD1 4.11Å; Y43-F72 HydrophobicContact CD2-CG 4.1Å; Y43-F72 HydrophobicContact CE2-CB 4.44Å
44E91.1Very high77.2Confident61 Ų6158.9 Ų58.929%0.28530%0.298SS..Hα-helixtrans-65.7-41.8170.6-66.9144.4-136.800110.7H39 H40 T41 F46 A47 D48H39-E44 WeakPolarHBondContact CA-OE2 3.18Å; H39-E44 WeakPolarHBondContact CE1-CB 3.38Å; H39-E44 IonicContact CE1-OE2 3.76Å; H39-E44 PolarHBondContact CE1-OE2 2.69Å; H39-E44 WeakPolarHBondContact ND1-CB 3.12Å; H40-E44 PolarHBondContact N-OE2 3.43Å; T41-E44 WeakPolarHBondContact CB-OE1 3.49Å; T41-E44 WeakPolarHBondContact CG2-OE1 3.41Å; T41-E44 PolarHBondContact N-OE1 3.36Å; T41-E44 PolarHBondContact N-OE2 2.78Å; T41-E44 WeakPolarHBondContact O-CB 3.4Å; T41-E44 PolarHBondContact O-N 3.4Å; T41-E44 WeakPolarHBondContact OG1-CG 3.42Å; T41-E44 PolarHBondContact OG1-N 2.76Å; T41-E44 PolarHBondContact OG1-OE1 3.45Å; E44-F46 VanDerWaalsContact C-N 3.28Å; E44-F46 PolarHBondContact O-N 3.49Å; E44-A47 WeakPolarHBondContact O-CB 3.43Å; E44-A47 PolarHBondContact O-N 2.54Å; E44-A47 VanDerWaalsContact O-N 3.08Å; E44-D48 PolarHBondContact O-N 2.77Å
45I90.9Very high78.7Confident2 Ų257.2 Ų57.21%0.0129%0.286CS..Hα-helixtrans-61.5-37.9175.9-57.9172.8000110.9L16 H39 T41 G42 F49 W75 P105 F108L16-I45 HydrophobicContact CD1-CG2 3.57Å; H39-I45 HydrophobicContact CB-CD1 4.05Å; H39-I45 HydrophobicContact CB-CG1 3.57Å; T41-I45 PolarHBondContact O-N 3.4Å; G42-I45 PolarHBondContact O-N 3.18Å; I45-F49 WeakPolarHBondContact O-CB 3.32Å; I45-F49 PolarHBondContact O-N 2.67Å; I45-W75 HydrophobicContact CD1-CD2 4.36Å; I45-W75 HydrophobicContact CD1-CH2 3.81Å; I45-W75 HydrophobicContact CD1-CZ2 3.25Å; I45-W75 HydrophobicContact CG2-CH2 4.46Å; I45-P105 HydrophobicContact CG2-CB 3.91Å; I45-P105 HydrophobicContact CG2-CG 3.73Å; I45-F108 HydrophobicContact CD1-CE1 4.37Å; I45-F108 HydrophobicContact CD1-CE2 3.79Å; I45-F108 HydrophobicContact CD1-CZ 3.44Å; I45-F108 VanDerWaalsContact CD1-CZ 3.44Å; I45-F108 HydrophobicContact CG1-CE2 3.91Å; I45-F108 HydrophobicContact CG1-CZ 4.1Å; I45-F108 HydrophobicContact CG2-CD2 4.4Å; I45-F108 HydrophobicContact CG2-CE2 4.12Å; I45-F108 HydrophobicContact CG2-CZ 4.42Å
46F93.2Very high79.8Confident9 Ų954.9 Ų54.94%0.03928%0.275CS..Hα-helixtrans-68.8-38.7171.9177.5-110.9000113G42 Y43 E44 D48 F49 K50 F72 L81 I83G42-F46 PolarHBondContact O-N 2.91Å; Y43-F46 HydrophobicContact CE2-CD1 4.42Å; Y43-F46 PolarHBondContact O-N 3.32Å; E44-F46 VanDerWaalsContact C-N 3.28Å; E44-F46 PolarHBondContact O-N 3.49Å; F46-D48 VanDerWaalsContact C-N 3.33Å; F46-F49 WeakPolarHBondContact O-CB 3.49Å; F46-F49 PolarHBondContact O-N 3.21Å; F46-K50 HydrophobicContact CD1-CD 4.3Å; F46-K50 HydrophobicContact CE1-CD 3.65Å; F46-K50 HydrophobicContact CE1-CG 4.35Å; F46-K50 HydrophobicContact CE2-CD 4.22Å; F46-K50 HydrophobicContact CE2-CG 4.19Å; F46-K50 HydrophobicContact CZ-CD 3.6Å; F46-K50 HydrophobicContact CZ-CG 4.07Å; F46-K50 WeakPolarHBondContact O-CG 3.49Å; F46-K50 PolarHBondContact O-N 2.97Å; F46-F72 HydrophobicContact CB-CD2 3.76Å; F46-F72 HydrophobicContact CB-CE2 4.42Å; F46-F72 HydrophobicContact CD1-CB 3.66Å; F46-F72 HydrophobicContact CD1-CD2 4.4Å; F46-F72 HydrophobicContact CD1-CG 4.43Å; F46-F72 HydrophobicContact CE1-CB 3.85Å; F46-F72 HydrophobicContact CG-CB 4.02Å; F46-F72 HydrophobicContact CG-CD2 4.01Å; F46-F72 HydrophobicContact CG-CG 4.47Å; F46-F72 HydrophobicContact CZ-CB 4.41Å; F46-L81 HydrophobicContact CB-CD1 3.92Å; F46-L81 HydrophobicContact CB-CD2 4.46Å; F46-L81 HydrophobicContact CD2-CD1 4.18Å; F46-L81 HydrophobicContact CD2-CD2 4.38Å; F46-L81 HydrophobicContact CG-CD1 4.44Å; F46-I83 HydrophobicContact CD2-CG2 3.68Å; F46-I83 HydrophobicContact CE2-CB 4.34Å; F46-I83 HydrophobicContact CE2-CG2 3.54Å
47A91.3Very high80.5Confident43 Ų4350.1 Ų50.136%0.35525%0.25SC..Hα-helixtrans-63.5-40.7175.100000111.3Y43 E44 K50 A51Y43-A47 WeakPolarHBondContact O-CB 3.38Å; Y43-A47 PolarHBondContact O-N 2.75Å; E44-A47 WeakPolarHBondContact O-CB 3.43Å; E44-A47 PolarHBondContact O-N 2.54Å; E44-A47 VanDerWaalsContact O-N 3.08Å; A47-K50 PolarHBondContact O-N 3.14Å; A47-A51 WeakPolarHBondContact O-CB 3.22Å; A47-A51 PolarHBondContact O-N 2.75Å
48D90.7Very high80.8Confident31 Ų3151 Ų5117%0.16625%0.25CS..Hα-helixtrans-68.4-42.1173.9-9150.3000112.3H39 E44 F46 K50 A51 E52 P105 R106H39-D48 VanDerWaalsContact NE2-CB 3.33Å; H39-D48 WeakPolarHBondContact NE2-CB 3.45Å; H39-D48 IonicContact NE2-OD1 2.74Å; H39-D48 PolarHBondContact NE2-OD1 3.08Å; H39-D48 IonicContact NE2-OD2 3.1Å; H39-D48 PolarHBondContact NE2-OD2 2.95Å; E44-D48 PolarHBondContact O-N 2.77Å; F46-D48 VanDerWaalsContact C-N 3.33Å; D48-K50 PolarHBondContact O-N 2.96Å; D48-A51 PolarHBondContact O-N 3.44Å; D48-E52 PolarHBondContact O-N 2.95Å; D48-P105 HydrophobicContact CB-CB 4.17Å; D48-R106 WeakPolarHBondContact OD2-CB 3.3Å; D48-R106 WeakPolarHBondContact OD2-CD 3.5Å; D48-R106 WeakPolarHBondContact OD2-CG 3.33Å; D48-R106 IonicContact OD2-NE 2.7Å
49F91.5Very high81.5Confident0 Ų045 Ų450%023%0.228CC..Hα-helixtrans-53.3-45.5170.7-179.4-111000111.3I14 I45 F46 N53 V67 L81 I83 P105 I110I14-F49 HydrophobicContact CD1-CE1 3.96Å; I14-F49 HydrophobicContact CD1-CE2 3.98Å; I14-F49 HydrophobicContact CD1-CZ 3.67Å; I45-F49 WeakPolarHBondContact O-CB 3.32Å; I45-F49 PolarHBondContact O-N 2.67Å; F46-F49 WeakPolarHBondContact O-CB 3.49Å; F46-F49 PolarHBondContact O-N 3.21Å; F49-N53 WeakPolarHBondContact CD2-ND2 3.28Å; F49-N53 WeakPolarHBondContact CE2-ND2 3.35Å; F49-N53 WeakPolarHBondContact O-CB 2.56Å; F49-N53 PolarHBondContact O-N 3.05Å; F49-N53 PolarHBondContact O-ND2 2.97Å; F49-V67 HydrophobicContact CE1-CG2 4.45Å; F49-L81 HydrophobicContact CB-CD2 4.32Å; F49-L81 HydrophobicContact CG-CD2 4.49Å; F49-I83 HydrophobicContact CE1-CD1 4.44Å; F49-P105 HydrophobicContact CB-CG 4.06Å; F49-P105 HydrophobicContact CD2-CG 4.5Å; F49-I110 HydrophobicContact CE2-CD1 4.43Å
50K91.8Very high82Confident47 Ų4745.5 Ų45.520%0.20423%0.231CC..Hα-helixtrans-66.3-41.7175.3-72.2-169.9126.3178.50112.2F46 A47 D48 S54 V67 S68 T70F46-K50 HydrophobicContact CD1-CD 4.3Å; F46-K50 HydrophobicContact CE1-CD 3.65Å; F46-K50 HydrophobicContact CE1-CG 4.35Å; F46-K50 HydrophobicContact CE2-CD 4.22Å; F46-K50 HydrophobicContact CE2-CG 4.19Å; F46-K50 HydrophobicContact CZ-CD 3.6Å; F46-K50 HydrophobicContact CZ-CG 4.07Å; F46-K50 WeakPolarHBondContact O-CG 3.49Å; F46-K50 PolarHBondContact O-N 2.97Å; A47-K50 PolarHBondContact O-N 3.14Å; D48-K50 PolarHBondContact O-N 2.96Å; K50-S54 WeakPolarHBondContact O-CB 3.49Å; K50-S54 PolarHBondContact O-N 3.49Å; K50-S54 PolarHBondContact O-OG 3.28Å; K50-V67 HydrophobicContact CB-CG1 4.12Å; K50-V67 WeakPolarHBondContact CE-O 3.44Å; K50-V67 HydrophobicContact CG-CG1 3.87Å; K50-S68 PolarHBondContact NZ-O 2.71Å; K50-T70 WeakPolarHBondContact CE-O 3.33Å; K50-T70 PolarHBondContact NZ-O 2.75Å
51A88.9Confident82.8Confident27 Ų2745.5 Ų45.522%0.22323%0.232CC..Hα-helixtrans-63.5-54.2-178.900000111.4A47 D48 N53 S54 Q55A47-A51 WeakPolarHBondContact O-CB 3.22Å; A47-A51 PolarHBondContact O-N 2.75Å; D48-A51 PolarHBondContact O-N 3.44Å; A51-N53 PolarHBondContact O-N 3.46Å; A51-S54 PolarHBondContact O-N 3Å; A51-S54 VanDerWaalsContact O-N 3.16Å; A51-Q55 VanDerWaalsContact O-CB 3.26Å; A51-Q55 WeakPolarHBondContact O-CB 3.3Å; A51-Q55 VanDerWaalsContact O-CG 3.25Å; A51-Q55 WeakPolarHBondContact O-CG 3.26Å; A51-Q55 PolarHBondContact O-N 2.75Å
52E86.9Confident82.8Confident12 Ų1250.7 Ų50.76%0.05624%0.244CC..Hα-helixtrans-62.5-42.5-177.1-65.5-49.4131.600112.3D48 S54 Q56 N103 R106D48-E52 PolarHBondContact O-N 2.95Å; E52-S54 PolarHBondContact O-N 3.41Å; E52-Q56 VanDerWaalsContact O-CB 3.29Å; E52-Q56 WeakPolarHBondContact O-CB 3.43Å; E52-Q56 WeakPolarHBondContact O-CG 3.31Å; E52-Q56 PolarHBondContact O-N 2.93Å; E52-Q56 PolarHBondContact OE2-NE2 3.35Å; E52-N103 HydrophobicContact CB-CB 4.16Å; E52-R106 HydrophobicContact CG-CG 4.37Å; E52-R106 IonicContact OE1-CZ 3.41Å; E52-R106 IonicContact OE1-NE 2.75Å; E52-R106 PolarHBondContact OE1-NE 2.9Å; E52-R106 IonicContact OE1-NH2 3.45Å; E52-R106 PolarHBondContact OE1-NH2 3.46Å; E52-R106 IonicContact OE2-NH2 3.38Å
53N87.8Confident82.9Confident0 Ų050.6 Ų50.60%024%0.242CC..Hα-helixtrans-74.3-23.2178.1-69.7-83000113.3F49 A51 H57 V67 L102 N103F49-N53 WeakPolarHBondContact CD2-ND2 3.28Å; F49-N53 WeakPolarHBondContact CE2-ND2 3.35Å; F49-N53 WeakPolarHBondContact O-CB 2.56Å; F49-N53 PolarHBondContact O-N 3.05Å; F49-N53 PolarHBondContact O-ND2 2.97Å; A51-N53 PolarHBondContact O-N 3.46Å; N53-H57 WeakPolarHBondContact O-CB 3.45Å; N53-V67 HydrophobicContact CB-CB 4.49Å; N53-V67 HydrophobicContact CB-CG1 4.17Å; N53-V67 HydrophobicContact CB-CG2 3.9Å; N53-L102 WeakPolarHBondContact OD1-CA 3.22Å; N53-N103 PolarHBondContact ND2-O 3.42Å; N53-N103 PolarHBondContact OD1-N 3.38Å
54S83.7Confident82.8Confident41 Ų4145.5 Ų45.529%0.28723%0.226SC..Hα-helixtrans-87.9-28.5174.7-53.70000113.5K50 A51 E52K50-S54 WeakPolarHBondContact O-CB 3.49Å; K50-S54 PolarHBondContact O-N 3.49Å; K50-S54 PolarHBondContact O-OG 3.28Å; A51-S54 PolarHBondContact O-N 3Å; A51-S54 VanDerWaalsContact O-N 3.16Å; E52-S54 PolarHBondContact O-N 3.41Å
55Q70.1Confident82.7Confident123 Ų12347 Ų4758%0.57523%0.234SC*.Hα-helixtrans-87.9-35.2-178.4-69.8-179.630.700112.5A51 I58A51-Q55 VanDerWaalsContact O-CB 3.26Å; A51-Q55 WeakPolarHBondContact O-CB 3.3Å; A51-Q55 VanDerWaalsContact O-CG 3.25Å; A51-Q55 WeakPolarHBondContact O-CG 3.26Å; A51-Q55 PolarHBondContact O-N 2.75Å; Q55-I58 WeakPolarHBondContact O-CD1 3.25Å; Q55-I58 WeakPolarHBondContact O-CG1 3.23Å
56Q64.2Low82.8Confident67 Ų6747 Ų4731%0.31323%0.233SC..Hα-helixtrans-88.8-46.1-178.6-58.2-164.728.400112.3E52 I58 W59 N103E52-Q56 VanDerWaalsContact O-CB 3.29Å; E52-Q56 WeakPolarHBondContact O-CB 3.43Å; E52-Q56 WeakPolarHBondContact O-CG 3.31Å; E52-Q56 PolarHBondContact O-N 2.93Å; E52-Q56 PolarHBondContact OE2-NE2 3.35Å; Q56-I58 PolarHBondContact O-N 3.05Å; Q56-W59 WeakPolarHBondContact O-CZ3 3.31Å; Q56-N103 WeakPolarHBondContact CB-ND2 3.33Å; Q56-N103 PolarHBondContact OE1-ND2 3.45Å
57H64.5Low82.7Confident0 Ų046.6 Ų46.60%023%0.232CC..  trans-78.643.3-178.3-75.4-70.6000114.7N53 W59 N60 T64 S101N53-H57 WeakPolarHBondContact O-CB 3.45Å; H57-W59 AromaticContact CE1-CE2 3.98Å; H57-W59 AromaticContact CE1-CZ2 3.52Å; H57-W59 AromaticContact ND1-CE2 3.34Å; H57-W59 VanDerWaalsContact ND1-CE2 3.34Å; H57-W59 AromaticContact ND1-CZ2 3.28Å; H57-W59 VanDerWaalsContact ND1-CZ2 3.28Å; H57-W59 WeakPolarHBondContact ND1-CZ2 3.3Å; H57-W59 AromaticContact ND1-NE1 3.43Å; H57-W59 PolarHBondContact ND1-NE1 3.42Å; H57-W59 PolarHBondContact O-N 2.89Å; H57-W59 VanDerWaalsContact O-N 3.11Å; H57-N60 HydrophobicContact CB-CB 4.31Å; H57-N60 CarbonylContact O-C 3.51Å; H57-N60 PolarHBondContact O-N 2.98Å; H57-T64 PolarHBondContact O-OG1 3Å; H57-S101 PolarHBondContact NE2-O 2.93Å
58I62.5Low82.6Confident73 Ų7347.5 Ų47.537%0.37424%0.235SC..THydrogen-bonded Turntrans-53.4-32.6172.6-61.8172.4000111.3Q55 Q56 T198Q55-I58 WeakPolarHBondContact O-CD1 3.25Å; Q55-I58 WeakPolarHBondContact O-CG1 3.23Å; Q56-I58 PolarHBondContact O-N 3.05Å; I58-T198 HydrophobicContact CD1-CG2 4.03Å
59W69.3Low82.7Confident25 Ų2549.7 Ų49.710%0.09525%0.245CC..THydrogen-bonded Turntrans-77.2-14.5177.364.982.9000114.9Q56 H57 E134 L137 L138 K186 I196Q56-W59 WeakPolarHBondContact O-CZ3 3.31Å; H57-W59 AromaticContact CE1-CE2 3.98Å; H57-W59 AromaticContact CE1-CZ2 3.52Å; H57-W59 AromaticContact ND1-CE2 3.34Å; H57-W59 VanDerWaalsContact ND1-CE2 3.34Å; H57-W59 AromaticContact ND1-CZ2 3.28Å; H57-W59 VanDerWaalsContact ND1-CZ2 3.28Å; H57-W59 WeakPolarHBondContact ND1-CZ2 3.3Å; H57-W59 AromaticContact ND1-NE1 3.43Å; H57-W59 PolarHBondContact ND1-NE1 3.42Å; H57-W59 PolarHBondContact O-N 2.89Å; H57-W59 VanDerWaalsContact O-N 3.11Å; W59-E134 PolarHBondContact NE1-OE2 2.98Å; W59-L137 HydrophobicContact CB-CD1 4.31Å; W59-L137 HydrophobicContact CB-CD2 4.46Å; W59-L137 VanDerWaalsContact CD1-CD1 3.44Å; W59-L137 HydrophobicContact CD2-CB 3.82Å; W59-L137 HydrophobicContact CD2-CD1 4.08Å; W59-L137 HydrophobicContact CD2-CD2 4.35Å; W59-L137 HydrophobicContact CD2-CG 4.3Å; W59-L137 HydrophobicContact CE3-CB 4.15Å; W59-L137 HydrophobicContact CG-CB 4.37Å; W59-L137 HydrophobicContact CG-CD1 3.72Å; W59-L137 HydrophobicContact CG-CD2 4.33Å; W59-L137 HydrophobicContact CG-CG 4.36Å; W59-L137 HydrophobicContact CH2-CB 3.99Å; W59-L137 HydrophobicContact CZ2-CB 3.62Å; W59-L137 HydrophobicContact CZ3-CB 4.24Å; W59-L138 HydrophobicContact CH2-CD2 3.98Å; W59-L138 HydrophobicContact CH2-CG 4.3Å; W59-L138 HydrophobicContact CZ2-CD2 4.01Å; W59-L138 HydrophobicContact CZ2-CG 4.09Å; W59-K186 HydrophobicContact CB-CB 4.18Å; W59-K186 HydrophobicContact CB-CD 4.19Å; W59-K186 HydrophobicContact CB-CG 4.01Å; W59-I196 HydrophobicContact CE3-CD1 3.98Å; W59-I196 HydrophobicContact CZ3-CD1 3.66Å
60N77.5Confident82.7Confident33 Ų3349.7 Ų49.718%0.17625%0.245CC..  trans-122.278.9-179.2-165.4-22.8000110.4H57 R62 I63 T64H57-N60 HydrophobicContact CB-CB 4.31Å; H57-N60 CarbonylContact O-C 3.51Å; H57-N60 PolarHBondContact O-N 2.98Å; N60-R62 PolarHBondContact O-N 3.26Å; N60-R62 VanDerWaalsContact O-N 3.13Å; N60-R62 PolarHBondContact OD1-N 2.95Å; N60-I63 HydrophobicContact CB-CB 4.46Å; N60-I63 HydrophobicContact CB-CD1 4.5Å; N60-I63 VanDerWaalsContact ND2-CD1 3.33Å; N60-I63 WeakPolarHBondContact ND2-CD1 3.44Å; N60-I63 PolarHBondContact O-N 2.8Å; N60-I63 VanDerWaalsContact O-N 3.13Å; N60-I63 PolarHBondContact OD1-N 3.26Å; N60-T64 PolarHBondContact O-N 3.06Å; N60-T64 VanDerWaalsContact O-N 3.13Å; N60-T64 PolarHBondContact O-OG1 3.41Å
61Q81Confident82.7Confident148 Ų14853.7 Ų53.769%0.69226%0.262SS*.Hα-helixtrans-54.3-31178.5-175.3176.2-2.200112.9T64 E65Q61-T64 PolarHBondContact O-N 3.28Å; Q61-E65 VanDerWaalsContact O-CB 3.26Å; Q61-E65 WeakPolarHBondContact O-CB 3.42Å; Q61-E65 PolarHBondContact O-N 2.93Å
62R85.6Confident82.9Confident171 Ų17155.6 Ų55.665%0.64527%0.266SS*.Hα-helixtrans-64.9-47.5178.2-62.9-175.3-177176.71.2111.5N60 E65 A66 V92N60-R62 PolarHBondContact O-N 3.26Å; N60-R62 VanDerWaalsContact O-N 3.13Å; N60-R62 PolarHBondContact OD1-N 2.95Å; R62-E65 PolarHBondContact O-N 3.02Å; R62-A66 WeakPolarHBondContact O-CB 3.18Å; R62-A66 PolarHBondContact O-N 3.17Å; R62-V92 HydrophobicContact CB-CG1 3.96Å; R62-V92 HydrophobicContact CB-CG2 4.46Å
63I88.1Confident83.1Confident4 Ų458.3 Ų58.32%0.02128%0.28CS..Hα-helixtrans-64.5-44.5178-66-178.4000109.7N60 E65 A66 V67 V92 S101 L102N60-I63 HydrophobicContact CB-CB 4.46Å; N60-I63 HydrophobicContact CB-CD1 4.5Å; N60-I63 VanDerWaalsContact ND2-CD1 3.33Å; N60-I63 WeakPolarHBondContact ND2-CD1 3.44Å; N60-I63 PolarHBondContact O-N 2.8Å; N60-I63 VanDerWaalsContact O-N 3.13Å; N60-I63 PolarHBondContact OD1-N 3.26Å; I63-E65 PolarHBondContact O-N 3.28Å; I63-A66 PolarHBondContact O-N 3.08Å; I63-V67 HydrophobicContact CG2-CG2 4.06Å; I63-V67 VanDerWaalsContact O-CB 3.25Å; I63-V67 WeakPolarHBondContact O-CB 3.29Å; I63-V67 VanDerWaalsContact O-CG2 3.22Å; I63-V67 WeakPolarHBondContact O-CG2 3.44Å; I63-V67 PolarHBondContact O-N 3.05Å; I63-V92 HydrophobicContact CB-CG1 4.48Å; I63-V92 HydrophobicContact CG1-CG1 3.82Å; I63-S101 VanDerWaalsContact CD1-O 3.25Å; I63-S101 WeakPolarHBondContact CD1-O 3.3Å; I63-S101 WeakPolarHBondContact CD1-OG 3.49Å; I63-L102 HydrophobicContact CG2-CD2 3.78Å
64T88.8Confident83.1Confident38 Ų3859 Ų5923%0.23329%0.287CS..Hα-helixtrans-58.5-46.4176.6-61.70000112H57 N60 Q61 S68H57-T64 PolarHBondContact O-OG1 3Å; N60-T64 PolarHBondContact O-N 3.06Å; N60-T64 VanDerWaalsContact O-N 3.13Å; N60-T64 PolarHBondContact O-OG1 3.41Å; Q61-T64 PolarHBondContact O-N 3.28Å; T64-S68 VanDerWaalsContact O-CB 3.27Å; T64-S68 WeakPolarHBondContact O-CB 3.43Å; T64-S68 PolarHBondContact O-N 3.18Å; T64-S68 PolarHBondContact O-OG 3.39Å
65E89.5Confident83.4Confident94 Ų9458.9 Ų58.944%0.43928%0.281SS..Hα-helixtrans-64.2-51.1177.4-175.4175170.300111.3Q61 R62 I63 V67 S68 E69 H89Q61-E65 VanDerWaalsContact O-CB 3.26Å; Q61-E65 WeakPolarHBondContact O-CB 3.42Å; Q61-E65 PolarHBondContact O-N 2.93Å; R62-E65 PolarHBondContact O-N 3.02Å; I63-E65 PolarHBondContact O-N 3.28Å; E65-V67 PolarHBondContact O-N 3.26Å; E65-S68 PolarHBondContact O-N 3.5Å; E65-S68 VanDerWaalsContact O-N 3.15Å; E65-S68 PolarHBondContact O-OG 2.73Å; E65-E69 PolarHBondContact O-N 3.48Å; E65-H89 IonicContact OE1-CE1 2.75Å; E65-H89 PolarHBondContact OE1-CE1 2.91Å; E65-H89 VanDerWaalsContact OE1-CE1 3.3Å
66A91.2Very high84.2Confident1 Ų156.7 Ų56.71%0.00827%0.272CS..Hα-helixtrans-58.5-48.6-179.600000112R62 I63 E69 T70 H89 V92 L93R62-A66 WeakPolarHBondContact O-CB 3.18Å; R62-A66 PolarHBondContact O-N 3.17Å; I63-A66 PolarHBondContact O-N 3.08Å; A66-E69 PolarHBondContact O-N 2.96Å; A66-T70 VanDerWaalsContact O-CG2 3.29Å; A66-T70 WeakPolarHBondContact O-CG2 3.22Å; A66-T70 PolarHBondContact O-N 3.28Å; A66-H89 HydrophobicContact CB-CB 3.93Å; A66-H89 WeakPolarHBondContact CB-O 3.35Å; A66-V92 HydrophobicContact CB-CB 3.84Å; A66-V92 HydrophobicContact CB-CG1 3.77Å; A66-L93 HydrophobicContact CB-CD2 4.35Å
67V91.6Very high85.1Confident0 Ų060 Ų600%029%0.292CS..Hα-helixtrans-58.5-49.3174169.80000110.2F49 K50 N53 I63 E65 E69 T70 L93F49-V67 HydrophobicContact CE1-CG2 4.45Å; K50-V67 HydrophobicContact CB-CG1 4.12Å; K50-V67 WeakPolarHBondContact CE-O 3.44Å; K50-V67 HydrophobicContact CG-CG1 3.87Å; N53-V67 HydrophobicContact CB-CB 4.49Å; N53-V67 HydrophobicContact CB-CG1 4.17Å; N53-V67 HydrophobicContact CB-CG2 3.9Å; I63-V67 HydrophobicContact CG2-CG2 4.06Å; I63-V67 VanDerWaalsContact O-CB 3.25Å; I63-V67 WeakPolarHBondContact O-CB 3.29Å; I63-V67 VanDerWaalsContact O-CG2 3.22Å; I63-V67 WeakPolarHBondContact O-CG2 3.44Å; I63-V67 PolarHBondContact O-N 3.05Å; E65-V67 PolarHBondContact O-N 3.26Å; V67-E69 PolarHBondContact O-N 3.45Å; V67-T70 PolarHBondContact O-N 3.31Å; V67-T70 VanDerWaalsContact O-N 3.09Å; V67-T70 PolarHBondContact O-OG1 3.15Å; V67-L93 HydrophobicContact CG2-CD2 3.51Å
68S89.8Confident86Confident62 Ų6264.4 Ų64.443%0.43431%0.313SS..Hα-helixtrans-57.6-33.9-178.778.90000113.1K50 T64 E65K50-S68 PolarHBondContact NZ-O 2.71Å; T64-S68 VanDerWaalsContact O-CB 3.27Å; T64-S68 WeakPolarHBondContact O-CB 3.43Å; T64-S68 PolarHBondContact O-N 3.18Å; T64-S68 PolarHBondContact O-OG 3.39Å; E65-S68 PolarHBondContact O-N 3.5Å; E65-S68 VanDerWaalsContact O-N 3.15Å; E65-S68 PolarHBondContact O-OG 2.73Å
69E91.8Very high87.1Confident77 Ų7765.6 Ų65.636%0.3632%0.316SS..THydrogen-bonded Turntrans-91.16.9-178.4-72.4-96.5120.100114.6E65 A66 V67 F71 K86 H89E65-E69 PolarHBondContact O-N 3.48Å; A66-E69 PolarHBondContact O-N 2.96Å; V67-E69 PolarHBondContact O-N 3.45Å; E69-F71 VanDerWaalsContact O-CE2 3.24Å; E69-F71 WeakPolarHBondContact O-CE2 3.44Å; E69-K86 IonicContact OE2-NZ 3.56Å; E69-K86 PolarHBondContact OE2-NZ 2.82Å; E69-H89 WeakPolarHBondContact CB-CD2 3.47Å; E69-H89 WeakPolarHBondContact CB-NE2 3.27Å; E69-H89 WeakPolarHBondContact CG-NE2 3.37Å; E69-H89 IonicContact OE2-CD2 2.68Å; E69-H89 IonicContact OE2-NE2 3.87Å; E69-H89 PolarHBondContact OE2-NE2 3Å
70T92.9Very high88.1Confident0 Ų066.1 Ų66.10%032%0.322CS..  trans-85158.2168.463.20000113.1K50 A66 V67 I83 Q84 L93K50-T70 WeakPolarHBondContact CE-O 3.33Å; K50-T70 PolarHBondContact NZ-O 2.75Å; A66-T70 VanDerWaalsContact O-CG2 3.29Å; A66-T70 WeakPolarHBondContact O-CG2 3.22Å; A66-T70 PolarHBondContact O-N 3.28Å; V67-T70 PolarHBondContact O-N 3.31Å; V67-T70 VanDerWaalsContact O-N 3.09Å; V67-T70 PolarHBondContact O-OG1 3.15Å; T70-I83 HydrophobicContact CG2-CD1 4.22Å; T70-Q84 CarbonylContact C-O 3.31Å; T70-Q84 WeakPolarHBondContact CA-O 3.43Å; T70-Q84 WeakPolarHBondContact CB-O 3.09Å; T70-L93 HydrophobicContact CG2-CD1 3.8Å
71F91.8Very high88.8Confident131 Ų13164.5 Ų64.558%0.57531%0.314SS*.EExtended strand (participates in β ladder)trans-125.5145.3-179.1-57.6-87.1000110.5E69 I83 Q84E69-F71 VanDerWaalsContact O-CE2 3.24Å; E69-F71 WeakPolarHBondContact O-CE2 3.44Å; F71-I83 CarbonylContact O-C 3.5Å; F71-I83 VanDerWaalsContact O-CA 3.24Å; F71-I83 WeakPolarHBondContact O-CA 3.42Å; F71-Q84 HydrophobicContact CB-CB 4.47Å; F71-Q84 PolarHBondContact N-O 3.44Å; F71-Q84 PolarHBondContact O-N 2.87Å
72F93.3Very high89.3Confident68 Ų6858.6 Ų58.630%0.29829%0.287SS..EExtended strand (participates in β ladder)trans-71129.1171.6-179.5-106.4000110.2G42 Y43 F46 G74 W75 L81G42-F72 WeakPolarHBondContact O-CE2 3.39Å; Y43-F72 HydrophobicContact CD2-CB 4.13Å; Y43-F72 HydrophobicContact CD2-CD1 4.11Å; Y43-F72 HydrophobicContact CD2-CG 4.1Å; Y43-F72 HydrophobicContact CE2-CB 4.44Å; F46-F72 HydrophobicContact CB-CD2 3.76Å; F46-F72 HydrophobicContact CB-CE2 4.42Å; F46-F72 HydrophobicContact CD1-CB 3.66Å; F46-F72 HydrophobicContact CD1-CD2 4.4Å; F46-F72 HydrophobicContact CD1-CG 4.43Å; F46-F72 HydrophobicContact CE1-CB 3.85Å; F46-F72 HydrophobicContact CG-CB 4.02Å; F46-F72 HydrophobicContact CG-CD2 4.01Å; F46-F72 HydrophobicContact CG-CG 4.47Å; F46-F72 HydrophobicContact CZ-CB 4.41Å; F72-G74 WeakPolarHBondContact CE2-O 3.15Å; F72-G74 VanDerWaalsContact CZ-C 3.4Å; F72-W75 HydrophobicContact CE2-CB 4.19Å; F72-W75 HydrophobicContact CZ-CB 3.96Å; F72-L81 HydrophobicContact CD2-CD1 3.72Å; F72-L81 HydrophobicContact CE2-CD1 3.76Å
73L89.4Confident89.7Confident68 Ų6850.5 Ų50.536%0.35626%0.256SS..EExtended strand (participates in β ladder)trans-101.4-37.6169.6-72.9173.2000112.2A8 S11 L82 Q84A8-L73 HydrophobicContact CB-CD1 3.87Å; A8-L73 HydrophobicContact CB-CD2 4.47Å; S11-L73 VanDerWaalsContact CB-CD1 3.42Å; L73-L82 HydrophobicContact CB-CB 3.77Å; L73-L82 PolarHBondContact N-O 2.95Å; L73-Q84 HydrophobicContact CD1-CB 3.81Å; L73-Q84 HydrophobicContact CD1-CG 4.14Å; L73-Q84 HydrophobicContact CD2-CB 3.96Å; L73-Q84 HydrophobicContact CD2-CG 4.35Å; L73-Q84 HydrophobicContact CG-CB 3.79Å; L73-Q84 HydrophobicContact CG-CG 4.48Å
74G88.6Confident89.9Confident15 Ų1553.2 Ų53.216%0.15527%0.268CS..EExtended strand (participates in β ladder)trans172.4173-174.500000113.7F72 L82F72-G74 WeakPolarHBondContact CE2-O 3.15Å; F72-G74 VanDerWaalsContact CZ-C 3.4Å; G74-L82 PolarHBondContact N-O 3.32Å; G74-L82 PolarHBondContact O-N 2.97Å
75W90.7Very high89.9Confident39 Ų3952 Ų5215%0.14826%0.264CS..EExtended strand (participates in β ladder)trans-135.3122179-179.4-124.8000106.7L16 G42 I45 F72 E78 V80 L81 F108L16-W75 HydrophobicContact CB-CH2 4.4Å; L16-W75 HydrophobicContact CD1-CH2 3.95Å; L16-W75 HydrophobicContact CD1-CZ3 3.87Å; G42-W75 VanDerWaalsContact CA-CG 3.48Å; I45-W75 HydrophobicContact CD1-CD2 4.36Å; I45-W75 HydrophobicContact CD1-CH2 3.81Å; I45-W75 HydrophobicContact CD1-CZ2 3.25Å; I45-W75 HydrophobicContact CG2-CH2 4.46Å; F72-W75 HydrophobicContact CE2-CB 4.19Å; F72-W75 HydrophobicContact CZ-CB 3.96Å; W75-E78 WeakPolarHBondContact CH2-O 3.39Å; W75-E78 HydrophobicContact CZ2-CB 4.49Å; W75-E78 WeakPolarHBondContact CZ2-O 3.44Å; W75-E78 PolarHBondContact NE1-OE1 3.46Å; W75-E78 VanDerWaalsContact NE1-OE1 3.13Å; W75-E78 PolarHBondContact NE1-OE2 3.34Å; W75-V80 WeakPolarHBondContact CA-O 3.38Å; W75-V80 VanDerWaalsContact CE3-C 3.45Å; W75-L81 HydrophobicContact CE3-CB 3.85Å; W75-L81 HydrophobicContact CZ3-CB 3.8Å; W75-F108 HydrophobicContact CH2-CE1 4.08Å; W75-F108 HydrophobicContact CH2-CZ 4.42Å; W75-F108 HydrophobicContact CZ2-CE1 4.3Å; W75-F108 HydrophobicContact CZ2-CZ 4.34Å
76I87.1Confident90Very high76 Ų7652.4 Ų52.439%0.3926%0.264SS..EExtended strand (participates in β ladder)trans-119.8133.7-172.2-63.6176.7000108.7E78 H79 V80 L82I76-E78 PolarHBondContact O-N 3.49Å; I76-H79 PolarHBondContact O-N 2.93Å; I76-V80 HydrophobicContact CB-CB 4.26Å; I76-V80 PolarHBondContact N-O 3.5Å; I76-V80 PolarHBondContact O-N 3.03Å; I76-L82 HydrophobicContact CD1-CD1 3.65Å; I76-L82 HydrophobicContact CD1-CG 4.18Å; I76-L82 HydrophobicContact CG1-CD1 4.47Å
77D82.6Confident89.9Confident136 Ų13655.9 Ų55.973%0.72728%0.28SS*.THydrogen-bonded Turntrans5032.2173.9-53.2-23.8000115H79D77-H79 PolarHBondContact O-CD2 3.15Å; D77-H79 VanDerWaalsContact O-CG 3.3Å; D77-H79 PolarHBondContact O-N 2.91Å
78E83.6Confident89.9Confident94 Ų9462 Ų6244%0.43931%0.313SS..THydrogen-bonded Turntrans53.420.1-174.8-64.9-58.5129.300115.1W75 I76W75-E78 WeakPolarHBondContact CH2-O 3.39Å; W75-E78 HydrophobicContact CZ2-CB 4.49Å; W75-E78 WeakPolarHBondContact CZ2-O 3.44Å; W75-E78 PolarHBondContact NE1-OE1 3.46Å; W75-E78 VanDerWaalsContact NE1-OE1 3.13Å; W75-E78 PolarHBondContact NE1-OE2 3.34Å; I76-E78 PolarHBondContact O-N 3.49Å
79H86.1Confident89.9Confident98 Ų9860.4 Ų60.445%0.45430%0.299SS..THydrogen-bonded Turntrans-138.3-28.7-172.3-66-19.3000114.4L16 I76 D77L16-H79 PolarHBondContact N-O 3.39Å; I76-H79 PolarHBondContact O-N 2.93Å; D77-H79 PolarHBondContact O-CD2 3.15Å; D77-H79 VanDerWaalsContact O-CG 3.3Å; D77-H79 PolarHBondContact O-N 2.91Å
80V90Very high89.9Confident35 Ų3556.8 Ų56.821%0.21228%0.281CS..EExtended strand (participates in β ladder)trans-115.4110.9-172.8-171.70000111.6A13 I14 V15 W75 I76 L82A13-V80 HydrophobicContact CB-CG1 3.9Å; I14-V80 WeakPolarHBondContact O-CA 3.49Å; V15-V80 HydrophobicContact CG2-CG2 4.24Å; W75-V80 WeakPolarHBondContact CA-O 3.38Å; W75-V80 VanDerWaalsContact CE3-C 3.45Å; I76-V80 HydrophobicContact CB-CB 4.26Å; I76-V80 PolarHBondContact N-O 3.5Å; I76-V80 PolarHBondContact O-N 3.03Å; V80-L82 HydrophobicContact CG1-CD2 4.05Å
81L91.1Very high89.8Confident0 Ų061.4 Ų61.40%030%0.303CS..EExtended strand (participates in β ladder)trans-88.4115.6175.9169.858.8000109.7A13 I14 L16 F46 F49 F72 W75 I83A13-L81 WeakPolarHBondContact CA-O 3.48Å; I14-L81 HydrophobicContact CB-CB 4.34Å; I14-L81 PolarHBondContact N-O 3.49Å; I14-L81 PolarHBondContact O-N 3.36Å; L16-L81 HydrophobicContact CD1-CB 4.31Å; F46-L81 HydrophobicContact CB-CD1 3.92Å; F46-L81 HydrophobicContact CB-CD2 4.46Å; F46-L81 HydrophobicContact CD2-CD1 4.18Å; F46-L81 HydrophobicContact CD2-CD2 4.38Å; F46-L81 HydrophobicContact CG-CD1 4.44Å; F49-L81 HydrophobicContact CB-CD2 4.32Å; F49-L81 HydrophobicContact CG-CD2 4.49Å; F72-L81 HydrophobicContact CD2-CD1 3.72Å; F72-L81 HydrophobicContact CE2-CD1 3.76Å; W75-L81 HydrophobicContact CE3-CB 3.85Å; W75-L81 HydrophobicContact CZ3-CB 3.8Å; L81-I83 HydrophobicContact CD1-CG2 4.13Å; L81-I83 HydrophobicContact CD2-CG2 4.48Å; L81-I83 HydrophobicContact CG-CG2 4Å
82L91.7Very high89.7Confident24 Ų2456.3 Ų56.313%0.12628%0.283CS..EExtended strand (participates in β ladder)trans-94.4127.8174.9-59.7-171.5000110.4A13 L73 G74 I76 V80 V116A13-L82 HydrophobicContact CB-CD2 3.58Å; L73-L82 HydrophobicContact CB-CB 3.77Å; L73-L82 PolarHBondContact N-O 2.95Å; G74-L82 PolarHBondContact N-O 3.32Å; G74-L82 PolarHBondContact O-N 2.97Å; I76-L82 HydrophobicContact CD1-CD1 3.65Å; I76-L82 HydrophobicContact CD1-CG 4.18Å; I76-L82 HydrophobicContact CG1-CD1 4.47Å; V80-L82 HydrophobicContact CG1-CD2 4.05Å; L82-V116 HydrophobicContact CD2-CG2 4.17Å
83I93.7Very high89.6Confident0 Ų053 Ų530%027%0.268CS..EExtended strand (participates in β ladder)trans-126.3147.6176.768.2176.3000111.5S11 L12 I14 F46 F49 T70 F71 L81 L93S11-I83 CarbonylContact C-O 3.5Å; S11-I83 VanDerWaalsContact CA-O 3.25Å; S11-I83 WeakPolarHBondContact CA-O 3.33Å; S11-I83 WeakPolarHBondContact CB-O 3.44Å; L12-I83 HydrophobicContact CB-CG1 3.97Å; L12-I83 HydrophobicContact CD2-CD1 4.22Å; L12-I83 PolarHBondContact N-O 3.08Å; L12-I83 PolarHBondContact O-N 3.3Å; I14-I83 HydrophobicContact CD1-CD1 4Å; F46-I83 HydrophobicContact CD2-CG2 3.68Å; F46-I83 HydrophobicContact CE2-CB 4.34Å; F46-I83 HydrophobicContact CE2-CG2 3.54Å; F49-I83 HydrophobicContact CE1-CD1 4.44Å; T70-I83 HydrophobicContact CG2-CD1 4.22Å; F71-I83 CarbonylContact O-C 3.5Å; F71-I83 VanDerWaalsContact O-CA 3.24Å; F71-I83 WeakPolarHBondContact O-CA 3.42Å; L81-I83 HydrophobicContact CD1-CG2 4.13Å; L81-I83 HydrophobicContact CD2-CG2 4.48Å; L81-I83 HydrophobicContact CG-CG2 4Å; I83-L93 HydrophobicContact CD1-CD1 3.62Å
84Q92.1Very high89.7Confident61 Ų6151 Ų5129%0.28526%0.256SS..EExtended strand (participates in β ladder)trans-110.5154.5170.8-144.4175.915.100110.5P9 H10 T70 F71 L73P9-Q84 PolarHBondContact O-NE2 3.37Å; H10-Q84 WeakPolarHBondContact O-CA 3.44Å; H10-Q84 WeakPolarHBondContact O-CG 3.46Å; T70-Q84 CarbonylContact C-O 3.31Å; T70-Q84 WeakPolarHBondContact CA-O 3.43Å; T70-Q84 WeakPolarHBondContact CB-O 3.09Å; F71-Q84 HydrophobicContact CB-CB 4.47Å; F71-Q84 PolarHBondContact N-O 3.44Å; F71-Q84 PolarHBondContact O-N 2.87Å; L73-Q84 HydrophobicContact CD1-CB 3.81Å; L73-Q84 HydrophobicContact CD1-CG 4.14Å; L73-Q84 HydrophobicContact CD2-CB 3.96Å; L73-Q84 HydrophobicContact CD2-CG 4.35Å; L73-Q84 HydrophobicContact CG-CB 3.79Å; L73-Q84 HydrophobicContact CG-CG 4.48Å
85G90.6Very high89.7Confident13 Ų1353.3 Ų53.313%0.13426%0.263CS..  trans-156.4-170.3173.500000112.5H10H10-G85 VanDerWaalsContact CB-O 3.25Å; H10-G85 WeakPolarHBondContact CB-O 3.36Å; H10-G85 PolarHBondContact O-N 2.85Å; H10-G85 VanDerWaalsContact O-N 3.14Å
86K90.3Very high89.4Confident102 Ų10251.5 Ų51.544%0.44326%0.256SS..  trans-84.4151.1157.7-51.7-165.8-149.575.10108.3E69 D88 H89 L90E69-K86 IonicContact OE2-NZ 3.56Å; E69-K86 PolarHBondContact OE2-NZ 2.82Å; K86-D88 VanDerWaalsContact C-N 3.27Å; K86-D88 PolarHBondContact O-N 3.39Å; K86-H89 PolarHBondContact NZ-NE2 2.82Å; K86-H89 WeakPolarHBondContact O-CB 3.34Å; K86-H89 PolarHBondContact O-N 2.9Å; K86-L90 WeakPolarHBondContact O-CG 3.24Å; K86-L90 PolarHBondContact O-N 3.41Å
87E89.8Confident89.6Confident75 Ų7548.5 Ų48.535%0.3524%0.24SC..Hα-helixtrans-53.8-43.3-179.1-160.858.8-128.600112.7H10 H89 L90 E91 R94H10-E87 IonicContact CE1-OE2 3.11Å; H10-E87 IonicContact CG-OE2 2.83Å; H10-E87 IonicContact ND1-OE2 2.73Å; H10-E87 PolarHBondContact ND1-OE2 3.07Å; E87-H89 PolarHBondContact O-N 3.4Å; E87-L90 PolarHBondContact O-N 2.91Å; E87-E91 WeakPolarHBondContact O-CB 3.05Å; E87-E91 PolarHBondContact O-N 3.16Å; E87-R94 IonicContact OE1-CZ 3.19Å; E87-R94 IonicContact OE1-NH1 2.73Å; E87-R94 PolarHBondContact OE1-NH1 3.31Å; E87-R94 IonicContact OE1-NH2 3.8Å; E87-R94 PolarHBondContact OE1-NH2 3.4Å
88D90.4Very high89.6Confident127 Ų12745.3 Ų45.368%0.67922%0.222SC*.Hα-helixtrans-57.1-34.4177-49.6-49.6000113.1K86 V92K86-D88 VanDerWaalsContact C-N 3.27Å; K86-D88 PolarHBondContact O-N 3.39Å; D88-V92 WeakPolarHBondContact O-CG2 3.39Å
89H90.9Very high89.6Confident30 Ų3045.9 Ų45.914%0.13922%0.22CC..Hα-helixtrans-81.1-40.4179.5-64.4-31.3000111.3E65 A66 E69 K86 E87 E91 V92 L93E65-H89 IonicContact OE1-CE1 2.75Å; E65-H89 PolarHBondContact OE1-CE1 2.91Å; E65-H89 VanDerWaalsContact OE1-CE1 3.3Å; A66-H89 HydrophobicContact CB-CB 3.93Å; A66-H89 WeakPolarHBondContact CB-O 3.35Å; E69-H89 WeakPolarHBondContact CB-CD2 3.47Å; E69-H89 WeakPolarHBondContact CB-NE2 3.27Å; E69-H89 WeakPolarHBondContact CG-NE2 3.37Å; E69-H89 IonicContact OE2-CD2 2.68Å; E69-H89 IonicContact OE2-NE2 3.87Å; E69-H89 PolarHBondContact OE2-NE2 3Å; K86-H89 PolarHBondContact NZ-NE2 2.82Å; K86-H89 WeakPolarHBondContact O-CB 3.34Å; K86-H89 PolarHBondContact O-N 2.9Å; E87-H89 PolarHBondContact O-N 3.4Å; H89-E91 VanDerWaalsContact C-N 3.33Å; H89-E91 PolarHBondContact O-N 2.86Å; H89-V92 PolarHBondContact O-N 3.43Å; H89-L93 PolarHBondContact O-N 2.98Å
90L91Very high89.5Confident0 Ų046.4 Ų46.40%022%0.218CC..Hα-helixtrans-64.1-40.2176.4-62.9174.8000111.1H10 L12 K86 E87 V92 L93 R94H10-L90 HydrophobicContact CB-CD1 3.82Å; H10-L90 VanDerWaalsContact O-CD1 3.29Å; H10-L90 WeakPolarHBondContact O-CD1 3.25Å; L12-L90 HydrophobicContact CB-CD2 4.14Å; K86-L90 WeakPolarHBondContact O-CG 3.24Å; K86-L90 PolarHBondContact O-N 3.41Å; E87-L90 PolarHBondContact O-N 2.91Å; L90-V92 VanDerWaalsContact C-N 3.26Å; L90-V92 PolarHBondContact O-N 3Å; L90-L93 HydrophobicContact CD2-CD1 4.49Å; L90-L93 CarbonylContact O-C 3.6Å; L90-L93 WeakPolarHBondContact O-CA 3.36Å; L90-L93 WeakPolarHBondContact O-CB 3.29Å; L90-L93 PolarHBondContact O-N 2.81Å; L90-R94 WeakPolarHBondContact O-CG 3.02Å; L90-R94 PolarHBondContact O-N 3.49Å
91E90.3Very high89.2Confident97 Ų9744.9 Ų44.945%0.45321%0.208SC..Hα-helixtrans-59.6-36175.8-170.859.9-159.700112.2E87 H89 L93 R94 E95E87-E91 WeakPolarHBondContact O-CB 3.05Å; E87-E91 PolarHBondContact O-N 3.16Å; H89-E91 VanDerWaalsContact C-N 3.33Å; H89-E91 PolarHBondContact O-N 2.86Å; E91-L93 VanDerWaalsContact C-N 3.32Å; E91-L93 PolarHBondContact O-N 2.8Å; E91-R94 PolarHBondContact O-N 3.16Å; E91-R94 WeakPolarHBondContact OE2-CD 3.36Å; E91-R94 IonicContact OE2-CZ 3.03Å; E91-R94 IonicContact OE2-NE 2.69Å; E91-R94 IonicContact OE2-NH1 2.27Å; E91-R94 PolarHBondContact OE2-NH1 2.99Å; E91-E95 WeakPolarHBondContact O-CB 3.41Å; E91-E95 PolarHBondContact O-N 3Å
92V91.1Very high89Confident24 Ų2445.5 Ų45.515%0.14521%0.212CC..Hα-helixtrans-67-31.4172.2171.60000112.1R62 I63 A66 D88 H89 L90 G96R62-V92 HydrophobicContact CB-CG1 3.96Å; R62-V92 HydrophobicContact CB-CG2 4.46Å; I63-V92 HydrophobicContact CB-CG1 4.48Å; I63-V92 HydrophobicContact CG1-CG1 3.82Å; A66-V92 HydrophobicContact CB-CB 3.84Å; A66-V92 HydrophobicContact CB-CG1 3.77Å; D88-V92 WeakPolarHBondContact O-CG2 3.39Å; H89-V92 PolarHBondContact O-N 3.43Å; L90-V92 VanDerWaalsContact C-N 3.26Å; L90-V92 PolarHBondContact O-N 3Å; V92-G96 PolarHBondContact O-N 2.66Å
93L90.9Very high88.8Confident0 Ų045.4 Ų45.40%021%0.211CC..Hα-helixtrans-74.1-36.2171.2-55.4-174.6000112.1L12 A66 V67 T70 I83 H89 L90 E91 G96 W97 L102L12-L93 HydrophobicContact CD2-CB 4.1Å; L12-L93 HydrophobicContact CD2-CD1 4.31Å; A66-L93 HydrophobicContact CB-CD2 4.35Å; V67-L93 HydrophobicContact CG2-CD2 3.51Å; T70-L93 HydrophobicContact CG2-CD1 3.8Å; I83-L93 HydrophobicContact CD1-CD1 3.62Å; H89-L93 PolarHBondContact O-N 2.98Å; L90-L93 HydrophobicContact CD2-CD1 4.49Å; L90-L93 CarbonylContact O-C 3.6Å; L90-L93 WeakPolarHBondContact O-CA 3.36Å; L90-L93 WeakPolarHBondContact O-CB 3.29Å; L90-L93 PolarHBondContact O-N 2.81Å; E91-L93 VanDerWaalsContact C-N 3.32Å; E91-L93 PolarHBondContact O-N 2.8Å; L93-G96 PolarHBondContact O-N 2.86Å; L93-W97 WeakPolarHBondContact O-CB 3.31Å; L93-W97 PolarHBondContact O-N 2.95Å; L93-L102 HydrophobicContact CB-CD1 4.37Å; L93-L102 HydrophobicContact CD2-CD2 4.06Å; L93-L102 WeakPolarHBondContact O-CD1 3.21Å
94R91Very high88.6Confident25 Ų2547.5 Ų47.59%0.09423%0.225CC..Hα-helixtrans-61.1-47.6170.9-57.9-168.9-170.696.46.6110.3E87 L90 E91 W97 M98 D115 I124E87-R94 IonicContact OE1-CZ 3.19Å; E87-R94 IonicContact OE1-NH1 2.73Å; E87-R94 PolarHBondContact OE1-NH1 3.31Å; E87-R94 IonicContact OE1-NH2 3.8Å; E87-R94 PolarHBondContact OE1-NH2 3.4Å; L90-R94 WeakPolarHBondContact O-CG 3.02Å; L90-R94 PolarHBondContact O-N 3.49Å; E91-R94 PolarHBondContact O-N 3.16Å; E91-R94 WeakPolarHBondContact OE2-CD 3.36Å; E91-R94 IonicContact OE2-CZ 3.03Å; E91-R94 IonicContact OE2-NE 2.69Å; E91-R94 IonicContact OE2-NH1 2.27Å; E91-R94 PolarHBondContact OE2-NH1 2.99Å; R94-W97 PolarHBondContact O-N 3.38Å; R94-M98 WeakPolarHBondContact O-CB 3.17Å; R94-M98 VanDerWaalsContact O-CG 3.31Å; R94-M98 WeakPolarHBondContact O-CG 3.43Å; R94-M98 PolarHBondContact O-N 3.19Å; R94-D115 IonicContact CZ-OD1 3.95Å; R94-D115 VanDerWaalsContact CZ-OD1 3.26Å; R94-D115 IonicContact CZ-OD2 3.2Å; R94-D115 IonicContact NE-OD1 2.85Å; R94-D115 PolarHBondContact NE-OD1 2.88Å; R94-D115 IonicContact NE-OD2 2.98Å; R94-D115 PolarHBondContact NE-OD2 3.01Å; R94-D115 IonicContact NH2-OD1 2.73Å; R94-D115 PolarHBondContact NH2-OD1 3.26Å; R94-D115 IonicContact NH2-OD2 2.83Å; R94-I124 HydrophobicContact CB-CD1 3.99Å; R94-I124 HydrophobicContact CG-CD1 3.48Å; R94-I124 VanDerWaalsContact CG-CD1 3.48Å
95E87.9Confident88.5Confident63 Ų6344.8 Ų44.829%0.29421%0.212SC..Hα-helixtrans-60.9-46.2175.2-178.3172.4-151.500111.5E91 W97 M98 R99E91-E95 WeakPolarHBondContact O-CB 3.41Å; E91-E95 PolarHBondContact O-N 3Å; E95-W97 PolarHBondContact O-N 2.9Å; E95-M98 PolarHBondContact O-N 3.04Å; E95-R99 HydrophobicContact CG-CG 4.34Å; E95-R99 VanDerWaalsContact CG-NE 3.34Å; E95-R99 WeakPolarHBondContact O-CB 3.49Å; E95-R99 VanDerWaalsContact O-CG 3.29Å; E95-R99 WeakPolarHBondContact O-CG 3.34Å; E95-R99 PolarHBondContact O-N 3.48Å; E95-R99 IonicContact OE1-CZ 2.56Å; E95-R99 IonicContact OE1-NE 3.14Å; E95-R99 PolarHBondContact OE1-NE 3.31Å; E95-R99 IonicContact OE1-NH2 3.3Å; E95-R99 PolarHBondContact OE1-NH2 3.41Å
96G86.1Confident88.3Confident1 Ų150 Ų501%0.0123%0.228CC..Hα-helixtrans-59.2-44.3176.700000112.5V92 L93 R99 R100 S101V92-G96 PolarHBondContact O-N 2.66Å; L93-G96 PolarHBondContact O-N 2.86Å; G96-R99 CarbonylContact O-C 3.53Å; G96-R99 PolarHBondContact O-N 3.09Å; G96-R100 PolarHBondContact O-N 3.47Å; G96-S101 PolarHBondContact O-N 3.36Å; G96-S101 PolarHBondContact O-OG 3.33Å
97W89.6Confident88Confident13 Ų1346.1 Ų46.15%0.04922%0.217CC..Hα-helixtrans-64.5-47.6175177.7-115000112.6L93 R94 E95 R99 R100 L102 I110 L113 I124 Q126L93-W97 WeakPolarHBondContact O-CB 3.31Å; L93-W97 PolarHBondContact O-N 2.95Å; R94-W97 PolarHBondContact O-N 3.38Å; E95-W97 PolarHBondContact O-N 2.9Å; W97-R99 PolarHBondContact O-N 3.42Å; W97-R100 PolarHBondContact O-N 3.22Å; W97-L102 HydrophobicContact CB-CD1 4.1Å; W97-I110 HydrophobicContact CE3-CG2 4.07Å; W97-I110 HydrophobicContact CH2-CB 4.12Å; W97-I110 HydrophobicContact CH2-CG2 3.51Å; W97-I110 HydrophobicContact CZ2-CG2 4.39Å; W97-I110 HydrophobicContact CZ3-CB 3.73Å; W97-I110 HydrophobicContact CZ3-CD1 4.48Å; W97-I110 HydrophobicContact CZ3-CG2 3.32Å; W97-L113 HydrophobicContact CB-CB 4.49Å; W97-L113 HydrophobicContact CB-CD1 3.99Å; W97-L113 HydrophobicContact CB-CD2 3.81Å; W97-L113 HydrophobicContact CB-CG 4.34Å; W97-L113 HydrophobicContact CD2-CB 3.77Å; W97-L113 HydrophobicContact CE3-CB 4.35Å; W97-L113 HydrophobicContact CG-CB 3.82Å; W97-L113 HydrophobicContact CG-CD1 4.19Å; W97-L113 HydrophobicContact CG-CD2 3.79Å; W97-L113 HydrophobicContact CG-CG 4.17Å; W97-I124 PolarHBondContact NE1-O 3.44Å; W97-Q126 HydrophobicContact CD2-CG 4.08Å; W97-Q126 HydrophobicContact CH2-CG 4.21Å; W97-Q126 HydrophobicContact CZ2-CG 3.66Å
98M84.5Confident88Confident70 Ų7042.8 Ų42.835%0.34520%0.201SC..Hα-helixtrans-56.3-40.5175.4-75.4-170.7-70.400111.4R94 E95 R100 I124 S127R94-M98 WeakPolarHBondContact O-CB 3.17Å; R94-M98 VanDerWaalsContact O-CG 3.31Å; R94-M98 WeakPolarHBondContact O-CG 3.43Å; R94-M98 PolarHBondContact O-N 3.19Å; E95-M98 PolarHBondContact O-N 3.04Å; M98-R100 VanDerWaalsContact C-N 3.32Å; M98-I124 HydrophobicContact CG-CG2 3.73Å; M98-I124 HydrophobicContact SD-CG2 4.35Å; M98-S127 WeakPolarHBondContact O-CA 3.25Å; M98-S127 WeakPolarHBondContact O-CB 3.39Å; M98-S127 PolarHBondContact O-N 2.87Å
99R83.4Confident87.9Confident105 Ų10539.9 Ų39.940%0.39619%0.188SC..THydrogen-bonded Turntrans-81.8-2.2177.5-66.6-179.8-174.3-71.8-0.3114.4E95 G96 W97 S101E95-R99 HydrophobicContact CG-CG 4.34Å; E95-R99 VanDerWaalsContact CG-NE 3.34Å; E95-R99 WeakPolarHBondContact O-CB 3.49Å; E95-R99 VanDerWaalsContact O-CG 3.29Å; E95-R99 WeakPolarHBondContact O-CG 3.34Å; E95-R99 PolarHBondContact O-N 3.48Å; E95-R99 IonicContact OE1-CZ 2.56Å; E95-R99 IonicContact OE1-NE 3.14Å; E95-R99 PolarHBondContact OE1-NE 3.31Å; E95-R99 IonicContact OE1-NH2 3.3Å; E95-R99 PolarHBondContact OE1-NH2 3.41Å; G96-R99 CarbonylContact O-C 3.53Å; G96-R99 PolarHBondContact O-N 3.09Å; W97-R99 PolarHBondContact O-N 3.42Å; R99-S101 PolarHBondContact O-N 3.37Å
100R83.8Confident87.9Confident110 Ų11039.6 Ų39.642%0.41519%0.187SC..THydrogen-bonded Turntrans55.231.1-172.7-45.9-169.3-164.5-141-2.3113.8G96 W97 M98 Q126 S127 I130G96-R100 PolarHBondContact O-N 3.47Å; W97-R100 PolarHBondContact O-N 3.22Å; M98-R100 VanDerWaalsContact C-N 3.32Å; R100-Q126 HydrophobicContact CG-CB 4.33Å; R100-Q126 HydrophobicContact CG-CG 4.35Å; R100-S127 PolarHBondContact NE-O 2.87Å; R100-S127 PolarHBondContact NH2-O 3Å; R100-I130 HydrophobicContact CG-CD1 4.47Å; R100-I130 HydrophobicContact CG-CG1 4.37Å
101S83.1Confident87.8Confident2 Ų246.8 Ų46.81%0.01422%0.219CC..  trans-108.644.8175.271.70000110.7H57 I63 G96 R99H57-S101 PolarHBondContact NE2-O 2.93Å; I63-S101 VanDerWaalsContact CD1-O 3.25Å; I63-S101 WeakPolarHBondContact CD1-O 3.3Å; I63-S101 WeakPolarHBondContact CD1-OG 3.49Å; G96-S101 PolarHBondContact O-N 3.36Å; G96-S101 PolarHBondContact O-OG 3.33Å; R99-S101 PolarHBondContact O-N 3.37Å
102L87.1Confident87.6Confident14 Ų1443.6 Ų43.67%0.07321%0.207CC..  trans-126.3127.1163.9-74-177000107.8N53 I63 L93 W97 L113N53-L102 WeakPolarHBondContact OD1-CA 3.22Å; I63-L102 HydrophobicContact CG2-CD2 3.78Å; L93-L102 HydrophobicContact CB-CD1 4.37Å; L93-L102 HydrophobicContact CD2-CD2 4.06Å; L93-L102 WeakPolarHBondContact O-CD1 3.21Å; W97-L102 HydrophobicContact CB-CD1 4.1Å; L102-L113 HydrophobicContact CD1-CD1 3.85Å
103N87.6Confident87.6Confident21 Ų2142.4 Ų42.411%0.11220%0.2CC..PPolyproline II helixtrans-83143.7175.7-70.6-23.3000110.6E52 N53 Q56E52-N103 HydrophobicContact CB-CB 4.16Å; N53-N103 PolarHBondContact ND2-O 3.42Å; N53-N103 PolarHBondContact OD1-N 3.38Å; Q56-N103 WeakPolarHBondContact CB-ND2 3.33Å; Q56-N103 PolarHBondContact OE1-ND2 3.45Å
104P89.2Confident87.5Confident45 Ų4542.4 Ų42.429%0.29220%0.2SC..PPolyproline II helixtrans-76.1166.9172.136.3-37.9000111.6F108 I110P104-F108 WeakPolarHBondContact CB-O 3.43Å; P104-F108 VanDerWaalsContact CG-O 3.22Å; P104-F108 WeakPolarHBondContact CG-O 3.39Å; P104-I110 HydrophobicContact CB-CD1 4.14Å; P104-I110 HydrophobicContact CB-CG1 3.92Å
105P90Very high87.4Confident3 Ų343 Ų432%0.01920%0.204CC..PPolyproline II helixtrans-64.2163.3165.5-16.331.3000112.1L16 I45 D48 F49 G107 F108L16-P105 HydrophobicContact CD1-CG 3.81Å; L16-P105 HydrophobicContact CD2-CG 4.29Å; I45-P105 HydrophobicContact CG2-CB 3.91Å; I45-P105 HydrophobicContact CG2-CG 3.73Å; D48-P105 HydrophobicContact CB-CB 4.17Å; F49-P105 HydrophobicContact CB-CG 4.06Å; F49-P105 HydrophobicContact CD2-CG 4.5Å; P105-G107 PolarHBondContact O-N 3.07Å; P105-F108 HydrophobicContact CB-CB 4.46Å; P105-F108 HydrophobicContact CB-CD2 4.09Å; P105-F108 PolarHBondContact O-N 3Å; P105-F108 VanDerWaalsContact O-N 3.15Å
106R86.1Confident87.1Confident124 Ų12440.5 Ų40.547%0.46819%0.194SC..THydrogen-bonded Turntrans-64.1129-178.4-65.4-174.9174.1-113.4-15.5112P37 D48 E52 F108P37-R106 HydrophobicContact CG-CB 4.01Å; D48-R106 WeakPolarHBondContact OD2-CB 3.3Å; D48-R106 WeakPolarHBondContact OD2-CD 3.5Å; D48-R106 WeakPolarHBondContact OD2-CG 3.33Å; D48-R106 IonicContact OD2-NE 2.7Å; E52-R106 HydrophobicContact CG-CG 4.37Å; E52-R106 IonicContact OE1-CZ 3.41Å; E52-R106 IonicContact OE1-NE 2.75Å; E52-R106 PolarHBondContact OE1-NE 2.9Å; E52-R106 IonicContact OE1-NH2 3.45Å; E52-R106 PolarHBondContact OE1-NH2 3.46Å; E52-R106 IonicContact OE2-NH2 3.38Å; R106-F108 VanDerWaalsContact C-N 3.26Å; R106-F108 WeakPolarHBondContact O-CD2 3.38Å; R106-F108 PolarHBondContact O-N 3.39Å
107G84.3Confident86.5Confident20 Ų2042.7 Ų42.721%0.20621%0.209CC..THydrogen-bonded Turntrans71.317.7-177.500000114.5D19 P105D19-G107 PolarHBondContact N-O 3.11Å; P105-G107 PolarHBondContact O-N 3.07Å
108F88.9Confident85.3Confident5 Ų543.2 Ų43.22%0.02221%0.214CC..EExtended strand (participates in β ladder)trans-127.5155.7172.9-69.9-94.5000112.2L16 A17 R18 D19 H39 I45 W75 P104 P105 R106L16-F108 HydrophobicContact CB-CB 4.35Å; L16-F108 HydrophobicContact CB-CD1 3.63Å; L16-F108 HydrophobicContact CB-CE1 4.26Å; L16-F108 HydrophobicContact CB-CG 4.29Å; L16-F108 HydrophobicContact CD1-CD1 4.2Å; L16-F108 HydrophobicContact CD1-CG 4.34Å; A17-F108 CarbonylContact O-C 3.53Å; A17-F108 WeakPolarHBondContact O-CA 3.49Å; A17-F108 WeakPolarHBondContact O-CD1 3.44Å; R18-F108 HydrophobicContact CB-CE1 4.46Å; R18-F108 HydrophobicContact CG-CD1 3.81Å; R18-F108 HydrophobicContact CG-CE1 3.32Å; R18-F108 HydrophobicContact CG-CZ 3.8Å; D19-F108 WeakPolarHBondContact OD2-CA 3.08Å; D19-F108 PolarHBondContact OD2-N 3.49Å; H39-F108 AromaticContact CD2-CE2 3.86Å; I45-F108 HydrophobicContact CD1-CE1 4.37Å; I45-F108 HydrophobicContact CD1-CE2 3.79Å; I45-F108 HydrophobicContact CD1-CZ 3.44Å; I45-F108 VanDerWaalsContact CD1-CZ 3.44Å; I45-F108 HydrophobicContact CG1-CE2 3.91Å; I45-F108 HydrophobicContact CG1-CZ 4.1Å; I45-F108 HydrophobicContact CG2-CD2 4.4Å; I45-F108 HydrophobicContact CG2-CE2 4.12Å; I45-F108 HydrophobicContact CG2-CZ 4.42Å; W75-F108 HydrophobicContact CH2-CE1 4.08Å; W75-F108 HydrophobicContact CH2-CZ 4.42Å; W75-F108 HydrophobicContact CZ2-CE1 4.3Å; W75-F108 HydrophobicContact CZ2-CZ 4.34Å; P104-F108 WeakPolarHBondContact CB-O 3.43Å; P104-F108 VanDerWaalsContact CG-O 3.22Å; P104-F108 WeakPolarHBondContact CG-O 3.39Å; P105-F108 HydrophobicContact CB-CB 4.46Å; P105-F108 HydrophobicContact CB-CD2 4.09Å; P105-F108 PolarHBondContact O-N 3Å; P105-F108 VanDerWaalsContact O-N 3.15Å; R106-F108 VanDerWaalsContact C-N 3.26Å; R106-F108 WeakPolarHBondContact O-CD2 3.38Å; R106-F108 PolarHBondContact O-N 3.39Å
109T89.3Confident84.1Confident65 Ų6547.5 Ų47.540%0.39924%0.237SC..EExtended strand (participates in β ladder)trans-117.3132.2165.235.10000110.5L16 A17 D19 K111L16-T109 CarbonylContact C-O 3.6Å; L16-T109 WeakPolarHBondContact CA-O 3.16Å; A17-T109 PolarHBondContact N-O 3.36Å; A17-T109 PolarHBondContact O-N 3.03Å; D19-T109 WeakPolarHBondContact OD1-CB 2.94Å; D19-T109 VanDerWaalsContact OD1-CG2 3.27Å; D19-T109 WeakPolarHBondContact OD1-CG2 3.29Å; D19-T109 PolarHBondContact OD1-N 3.05Å; D19-T109 PolarHBondContact OD1-OG1 3.37Å; T109-K111 PolarHBondContact O-N 3.02Å
110I90.8Very high83.7Confident25 Ų2546 Ų4613%0.12824%0.242CC..EExtended strand (participates in β ladder)trans-76.1115.8172.9-58.2156.5000108.4I14 V15 L16 F49 W97 P104I14-I110 HydrophobicContact CG2-CB 4.42Å; I14-I110 HydrophobicContact CG2-CD1 4.37Å; I14-I110 HydrophobicContact CG2-CG1 3.87Å; I14-I110 HydrophobicContact CG2-CG2 3.69Å; V15-I110 CarbonylContact O-C 3.51Å; L16-I110 HydrophobicContact CD2-CB 4.24Å; L16-I110 HydrophobicContact CD2-CG1 3.5Å; L16-I110 VanDerWaalsContact CD2-CG1 3.5Å; F49-I110 HydrophobicContact CE2-CD1 4.43Å; W97-I110 HydrophobicContact CE3-CG2 4.07Å; W97-I110 HydrophobicContact CH2-CB 4.12Å; W97-I110 HydrophobicContact CH2-CG2 3.51Å; W97-I110 HydrophobicContact CZ2-CG2 4.39Å; W97-I110 HydrophobicContact CZ3-CB 3.73Å; W97-I110 HydrophobicContact CZ3-CD1 4.48Å; W97-I110 HydrophobicContact CZ3-CG2 3.32Å; P104-I110 HydrophobicContact CB-CD1 4.14Å; P104-I110 HydrophobicContact CB-CG1 3.92Å
111K88.3Confident83.6Confident150 Ų15043.6 Ų43.665%0.65224%0.236SC*.EExtended strand (participates in β ladder)trans-84.4-39.4174.8-76.6-178.5169.9169.20112.6V15 A17 T109V15-K111 HydrophobicContact CG1-CB 4.39Å; V15-K111 PolarHBondContact O-N 3.28Å; A17-K111 HydrophobicContact CB-CD 3.82Å; A17-K111 HydrophobicContact CB-CG 4.19Å; T109-K111 PolarHBondContact O-N 3.02Å
112C87.1Confident83.5Confident30 Ų3046 Ų4620%0.20325%0.253CS..EExtended strand (participates in β ladder)trans-153.6148.9-175.5-1740000110.3V15 P123V15-C112 HydrophobicContact CB-CB 4.04Å; V15-C112 HydrophobicContact CG2-CB 4.04Å; V15-C112 PolarHBondContact N-O 2.91Å; V15-C112 PolarHBondContact O-N 3.13Å; C112-P123 WeakPolarHBondContact SG-CB 3.5Å
113L91.3Very high83.4Confident0 Ų049.7 Ų49.70%028%0.278CS..EExtended strand (participates in β ladder)trans-134.8141.3170.6171154.3000107.2L12 A13 I14 W97 L102 I124L12-L113 HydrophobicContact CD1-CD2 3.93Å; L12-L113 HydrophobicContact CD1-CG 4.32Å; L12-L113 HydrophobicContact CD2-CD1 3.87Å; L12-L113 HydrophobicContact CD2-CD2 3.98Å; L12-L113 HydrophobicContact CD2-CG 3.87Å; L12-L113 HydrophobicContact CG-CD2 4.24Å; L12-L113 HydrophobicContact CG-CG 4.12Å; A13-L113 WeakPolarHBondContact O-CA 3.33Å; I14-L113 HydrophobicContact CD1-CD1 4.25Å; I14-L113 HydrophobicContact CG1-CD1 4.09Å; I14-L113 HydrophobicContact CG1-CG 4.43Å; W97-L113 HydrophobicContact CB-CB 4.49Å; W97-L113 HydrophobicContact CB-CD1 3.99Å; W97-L113 HydrophobicContact CB-CD2 3.81Å; W97-L113 HydrophobicContact CB-CG 4.34Å; W97-L113 HydrophobicContact CD2-CB 3.77Å; W97-L113 HydrophobicContact CE3-CB 4.35Å; W97-L113 HydrophobicContact CG-CB 3.82Å; W97-L113 HydrophobicContact CG-CD1 4.19Å; W97-L113 HydrophobicContact CG-CD2 3.79Å; W97-L113 HydrophobicContact CG-CG 4.17Å; L102-L113 HydrophobicContact CD1-CD1 3.85Å; L113-I124 HydrophobicContact CD2-CB 4.44Å; L113-I124 HydrophobicContact CD2-CD1 3.92Å; L113-I124 PolarHBondContact O-N 3.05Å
114G89.3Confident83.3Confident0 Ų050 Ų500%028%0.28CS..EExtended strand (participates in β ladder)trans-172.1153.2-171.200000114.1A13 S122A13-G114 PolarHBondContact N-O 3.02Å; A13-G114 PolarHBondContact O-N 3.21Å; G114-S122 CarbonylContact C-O 3.59Å; G114-S122 WeakPolarHBondContact CA-O 3.39Å
115D87.6Confident83Confident36 Ų3652.8 Ų52.819%0.19330%0.3CS..EExtended strand (participates in β ladder)trans-71.1138.8-178.4-68.3-64.2000111.6R94 S117 M121 S122R94-D115 IonicContact CZ-OD1 3.95Å; R94-D115 VanDerWaalsContact CZ-OD1 3.26Å; R94-D115 IonicContact CZ-OD2 3.2Å; R94-D115 IonicContact NE-OD1 2.85Å; R94-D115 PolarHBondContact NE-OD1 2.88Å; R94-D115 IonicContact NE-OD2 2.98Å; R94-D115 PolarHBondContact NE-OD2 3.01Å; R94-D115 IonicContact NH2-OD1 2.73Å; R94-D115 PolarHBondContact NH2-OD1 3.26Å; R94-D115 IonicContact NH2-OD2 2.83Å; D115-S117 PolarHBondContact O-N 2.85Å; D115-S117 VanDerWaalsContact O-N 3.16Å; D115-M121 WeakPolarHBondContact O-CA 3.49Å; D115-S122 PolarHBondContact N-O 2.89Å; D115-S122 VanDerWaalsContact N-O 3.09Å; D115-S122 PolarHBondContact O-N 3.27Å; D115-S122 PolarHBondContact O-OG 3.35Å
116V81.9Confident82.7Confident12 Ų1255.7 Ų55.77%0.07331%0.313CS..EExtended strand (participates in β ladder)trans-86.991.4-178.7-169.30000109.5Q6 I7 S11 A13 L82Q6-V116 PolarHBondContact NE2-O 3.34Å; I7-V116 HydrophobicContact CB-CG1 3.99Å; I7-V116 HydrophobicContact CD1-CG1 4.13Å; I7-V116 HydrophobicContact CG2-CG1 3.86Å; S11-V116 PolarHBondContact O-N 2.96Å; S11-V116 VanDerWaalsContact O-N 3.16Å; S11-V116 WeakPolarHBondContact OG-CB 3.4Å; A13-V116 HydrophobicContact CB-CG2 3.73Å; L82-V116 HydrophobicContact CD2-CG2 4.17Å
117S73.7Confident82.3Confident47 Ų4751.8 Ų51.833%0.32931%0.305SS..EExtended strand (participates in β ladder)trans-72.6154.5158.5-79.90000109.6D115 I119 S120D115-S117 PolarHBondContact O-N 2.85Å; D115-S117 VanDerWaalsContact O-N 3.16Å; S117-I119 PolarHBondContact O-N 2.86Å; S117-I119 VanDerWaalsContact O-N 3.08Å; S117-S120 CarbonylContact C-O 3.55Å; S117-S120 VanDerWaalsContact C-O 3.31Å; S117-S120 VanDerWaalsContact CA-O 3.29Å; S117-S120 WeakPolarHBondContact CA-O 3.36Å; S117-S120 WeakPolarHBondContact CB-O 3.48Å; S117-S120 PolarHBondContact N-O 3.33Å; S117-S120 PolarHBondContact O-N 2.85Å
118P64.8Low81.7Confident24 Ų2459.2 Ų59.216%0.15633%0.334CS..THydrogen-bonded Turntrans-73-6.5-164.427.1-37.4000116.8L5 Q6 I7L5-P118 HydrophobicContact CB-CB 3.85Å; L5-P118 HydrophobicContact CB-CG 4.09Å; Q6-P118 VanDerWaalsContact N-CB 3.34Å; I7-P118 VanDerWaalsContact CD1-O 3.3Å; I7-P118 WeakPolarHBondContact CD1-O 3.46Å; I7-P118 HydrophobicContact CG1-CB 4.29Å
119I59.4Low81Confident160 Ų16067 Ų6782%0.82137%0.368SS*.THydrogen-bonded Turntrans-130.8-7.3-177.8-53.1171.2000109.5S117S117-I119 PolarHBondContact O-N 2.86Å; S117-I119 VanDerWaalsContact O-N 3.08Å
120S73.6Confident80.5Confident73 Ų7367 Ų6751%0.5137%0.365SS..EExtended strand (participates in β ladder)trans-163.4148.4-171.952.90000112.1S117S117-S120 CarbonylContact C-O 3.55Å; S117-S120 VanDerWaalsContact C-O 3.31Å; S117-S120 VanDerWaalsContact CA-O 3.29Å; S117-S120 WeakPolarHBondContact CA-O 3.36Å; S117-S120 WeakPolarHBondContact CB-O 3.48Å; S117-S120 PolarHBondContact N-O 3.33Å; S117-S120 PolarHBondContact O-N 2.85Å
121M81.6Confident80.1Confident59 Ų5968.1 Ų68.129%0.29137%0.374SS..EExtended strand (participates in β ladder)trans-79.1133.6161-174.2-153.4-128.100108.8A13 V15 D115 P123A13-M121 HydrophobicContact CB-CE 3.47Å; A13-M121 VanDerWaalsContact CB-CE 3.47Å; A13-M121 HydrophobicContact CB-CG 4.42Å; A13-M121 WeakPolarHBondContact O-CE 3.23Å; V15-M121 HydrophobicContact CG2-CE 3.72Å; V15-M121 HydrophobicContact CG2-SD 4.27Å; D115-M121 WeakPolarHBondContact O-CA 3.49Å; M121-P123 WeakPolarHBondContact O-CD 3.41Å
122S82.4Confident79.9Confident52 Ų5263 Ų6336%0.36435%0.354SS..EExtended strand (participates in β ladder)trans-94.8107.3163.8490000109.4G114 D115G114-S122 CarbonylContact C-O 3.59Å; G114-S122 WeakPolarHBondContact CA-O 3.39Å; D115-S122 PolarHBondContact N-O 2.89Å; D115-S122 VanDerWaalsContact N-O 3.09Å; D115-S122 PolarHBondContact O-N 3.27Å; D115-S122 PolarHBondContact O-OG 3.35Å
123P84.2Confident79.8Confident92 Ų9262.3 Ų62.360%0.59735%0.351SS*.EExtended strand (participates in β ladder)trans-71.6141.3-173.630.4-36.4000111.7C112 M121C112-P123 WeakPolarHBondContact SG-CB 3.5Å; M121-P123 WeakPolarHBondContact O-CD 3.41Å
124I86.5Confident79.5Confident29 Ų2963.6 Ų63.615%0.14936%0.357CS..PPolyproline II helixtrans-97.8121.3176.5-64.6169.5000108.8L12 R94 W97 M98 L113L12-I124 HydrophobicContact CD1-CD1 4.43Å; R94-I124 HydrophobicContact CB-CD1 3.99Å; R94-I124 HydrophobicContact CG-CD1 3.48Å; R94-I124 VanDerWaalsContact CG-CD1 3.48Å; W97-I124 PolarHBondContact NE1-O 3.44Å; M98-I124 HydrophobicContact CG-CG2 3.73Å; M98-I124 HydrophobicContact SD-CG2 4.35Å; L113-I124 HydrophobicContact CD2-CB 4.44Å; L113-I124 HydrophobicContact CD2-CD1 3.92Å; L113-I124 PolarHBondContact O-N 3.05Å
125S81.8Confident79.3Confident103 Ų10364.5 Ų64.572%0.7236%0.363SS*.PPolyproline II helixtrans-67.8131.4177.7-60.90000111.6
126Q83.6Confident79.4Confident64 Ų6462.8 Ų62.830%0.29935%0.354SS..PPolyproline II helixtrans-66.9146.5166.7-67.2-172.5-25.900110.8W97 R100W97-Q126 HydrophobicContact CD2-CG 4.08Å; W97-Q126 HydrophobicContact CH2-CG 4.21Å; W97-Q126 HydrophobicContact CZ2-CG 3.66Å; R100-Q126 HydrophobicContact CG-CB 4.33Å; R100-Q126 HydrophobicContact CG-CG 4.35Å
127S77.8Confident79.6Confident41 Ų4162.2 Ų62.229%0.28735%0.35SS..PPolyproline II helixtrans-62.6147.3173.4-175.40000111.4M98 R100 F129M98-S127 WeakPolarHBondContact O-CA 3.25Å; M98-S127 WeakPolarHBondContact O-CB 3.39Å; M98-S127 PolarHBondContact O-N 2.87Å; R100-S127 PolarHBondContact NE-O 2.87Å; R100-S127 PolarHBondContact NH2-O 3Å; S127-F129 VanDerWaalsContact C-N 3.34Å; S127-F129 WeakPolarHBondContact CB-O 3.34Å; S127-F129 PolarHBondContact OG-N 3.38Å; S127-F129 PolarHBondContact OG-O 3.31Å
128Q70.9Confident80.1Confident177 Ų17762.1 Ų62.183%0.82735%0.346SS*.SBendtrans-76.3-25.9165.5-63.6179-100111.4
129F75.3Confident81.2Confident168 Ų16861.3 Ų61.374%0.73734%0.341SS*.  trans-105.8112.5177.7-60.2-78.8000110.3S127S127-F129 VanDerWaalsContact C-N 3.34Å; S127-F129 WeakPolarHBondContact CB-O 3.34Å; S127-F129 PolarHBondContact OG-N 3.38Å; S127-F129 PolarHBondContact OG-O 3.31Å
130I77.9Confident82.6Confident66 Ų6653.7 Ų53.734%0.33830%0.302SS..  trans-95129.1172.5-48.9167.9000107.6R100 L132 V135R100-I130 HydrophobicContact CG-CD1 4.47Å; R100-I130 HydrophobicContact CG-CG1 4.37Å; I130-L132 PolarHBondContact O-N 3.37Å; I130-V135 HydrophobicContact CB-CG2 4.09Å; I130-V135 HydrophobicContact CG2-CG2 3.42Å; I130-V135 VanDerWaalsContact CG2-CG2 3.42Å
131P82.5Confident83.2Confident48 Ų4851.3 Ų51.331%0.31229%0.285SS..  trans-63.4122.4176.5-2032.2000110.7G133 E134 V135P131-G133 PolarHBondContact O-N 3.22Å; P131-E134 HydrophobicContact CB-CG 4.48Å; P131-E134 PolarHBondContact O-N 3.39Å; P131-V135 PolarHBondContact O-N 3.49Å
132L84.9Confident83.3Confident43 Ų4350.5 Ų50.523%0.22529%0.288CS..Hα-helixtrans-51.5-34.9-179.2178.658.9000112.4I130 E134 V135 L136 P169 A173 L174 T177I130-L132 PolarHBondContact O-N 3.37Å; L132-E134 PolarHBondContact O-N 2.9Å; L132-V135 PolarHBondContact O-N 3.39Å; L132-L136 HydrophobicContact CD1-CD1 4.19Å; L132-L136 HydrophobicContact CD1-CD2 4.44Å; L132-L136 HydrophobicContact CD1-CG 3.96Å; L132-L136 HydrophobicContact CD2-CD1 4.47Å; L132-L136 HydrophobicContact CG-CD1 3.85Å; L132-L136 HydrophobicContact CG-CG 4.12Å; L132-L136 WeakPolarHBondContact O-CB 2.84Å; L132-L136 VanDerWaalsContact O-CG 3.23Å; L132-L136 WeakPolarHBondContact O-CG 3.47Å; L132-L136 PolarHBondContact O-N 3.02Å; L132-P169 HydrophobicContact CD1-CB 4.07Å; L132-P169 HydrophobicContact CD1-CG 3.89Å; L132-P169 HydrophobicContact CD2-CB 3.78Å; L132-P169 HydrophobicContact CD2-CG 4.4Å; L132-A173 HydrophobicContact CD2-CB 4.39Å; L132-L174 HydrophobicContact CD1-CD2 4.49Å; L132-T177 HydrophobicContact CB-CG2 4.45Å; L132-T177 HydrophobicContact CG-CG2 4.25Å
133G85.8Confident83.5Confident15 Ų1548.3 Ų48.316%0.15527%0.272CS..Hα-helixtrans-59.1-38.4176.300000114.5P131 L137P131-G133 PolarHBondContact O-N 3.22Å; G133-L137 VanDerWaalsContact O-CD1 3.3Å; G133-L137 WeakPolarHBondContact O-CD1 3.3Å; G133-L137 WeakPolarHBondContact O-CG 3.28Å; G133-L137 PolarHBondContact O-N 2.85Å; G133-L137 VanDerWaalsContact O-N 3.09Å
134E83.3Confident83.6Confident27 Ų2745.3 Ų45.313%0.12625%0.251CS..Hα-helixtrans-75.3-38.9177.6-63.1-61143.300111.1W59 P131 L132 L136 L137 L138W59-E134 PolarHBondContact NE1-OE2 2.98Å; P131-E134 HydrophobicContact CB-CG 4.48Å; P131-E134 PolarHBondContact O-N 3.39Å; L132-E134 PolarHBondContact O-N 2.9Å; E134-L136 VanDerWaalsContact C-N 3.31Å; E134-L136 PolarHBondContact O-N 3.26Å; E134-L137 PolarHBondContact O-N 2.68Å; E134-L138 WeakPolarHBondContact O-CG 3.28Å; E134-L138 PolarHBondContact O-N 2.72Å
135V86.2Confident83.5Confident18 Ų1848.1 Ų48.111%0.10927%0.274CS..Hα-helixtrans-61.4-41.7174.4-169.20000110.9I130 P131 L132 L138 A139 L159 F163I130-V135 HydrophobicContact CB-CG2 4.09Å; I130-V135 HydrophobicContact CG2-CG2 3.42Å; I130-V135 VanDerWaalsContact CG2-CG2 3.42Å; P131-V135 PolarHBondContact O-N 3.49Å; L132-V135 PolarHBondContact O-N 3.39Å; V135-L138 PolarHBondContact O-N 2.79Å; V135-A139 WeakPolarHBondContact O-CB 3.31Å; V135-A139 PolarHBondContact O-N 3.43Å; V135-L159 HydrophobicContact CG1-CD2 3.65Å; V135-F163 HydrophobicContact CG1-CD2 4.35Å; V135-F163 HydrophobicContact CG1-CE2 3.53Å; V135-F163 HydrophobicContact CG1-CZ 3.9Å
136L88.5Confident83.6Confident0 Ų046.1 Ų46.10%026%0.263CS..Hα-helixtrans-64.2-41175.2-72.7173.8000112.1L132 E134 A139 V140 L155 L159 L174 T177 L178 L181L132-L136 HydrophobicContact CD1-CD1 4.19Å; L132-L136 HydrophobicContact CD1-CD2 4.44Å; L132-L136 HydrophobicContact CD1-CG 3.96Å; L132-L136 HydrophobicContact CD2-CD1 4.47Å; L132-L136 HydrophobicContact CG-CD1 3.85Å; L132-L136 HydrophobicContact CG-CG 4.12Å; L132-L136 WeakPolarHBondContact O-CB 2.84Å; L132-L136 VanDerWaalsContact O-CG 3.23Å; L132-L136 WeakPolarHBondContact O-CG 3.47Å; L132-L136 PolarHBondContact O-N 3.02Å; E134-L136 VanDerWaalsContact C-N 3.31Å; E134-L136 PolarHBondContact O-N 3.26Å; L136-A139 PolarHBondContact O-N 2.93Å; L136-V140 VanDerWaalsContact O-CB 3.24Å; L136-V140 WeakPolarHBondContact O-CB 3.46Å; L136-V140 WeakPolarHBondContact O-CG2 3.25Å; L136-V140 PolarHBondContact O-N 2.79Å; L136-L155 HydrophobicContact CD2-CD1 3.86Å; L136-L155 HydrophobicContact CD2-CD2 3.45Å; L136-L155 VanDerWaalsContact CD2-CD2 3.45Å; L136-L155 HydrophobicContact CD2-CG 4.15Å; L136-L159 HydrophobicContact CD2-CD1 4.12Å; L136-L174 HydrophobicContact CD1-CD2 4.41Å; L136-L174 HydrophobicContact CD2-CD2 3.7Å; L136-T177 HydrophobicContact CD1-CG2 3.64Å; L136-L178 HydrophobicContact CD1-CD2 4.27Å; L136-L178 HydrophobicContact CD1-CG 4.28Å; L136-L181 HydrophobicContact CB-CD1 3.89Å; L136-L181 HydrophobicContact CD1-CD1 4.35Å
137L87.6Confident83.4Confident0 Ų051.6 Ų51.60%029%0.288CS..Hα-helixtrans-65.6-40.2177.6-69.2161.1000112W59 G133 E134 S141 L181 K186 I187W59-L137 HydrophobicContact CB-CD1 4.31Å; W59-L137 HydrophobicContact CB-CD2 4.46Å; W59-L137 VanDerWaalsContact CD1-CD1 3.44Å; W59-L137 HydrophobicContact CD2-CB 3.82Å; W59-L137 HydrophobicContact CD2-CD1 4.08Å; W59-L137 HydrophobicContact CD2-CD2 4.35Å; W59-L137 HydrophobicContact CD2-CG 4.3Å; W59-L137 HydrophobicContact CE3-CB 4.15Å; W59-L137 HydrophobicContact CG-CB 4.37Å; W59-L137 HydrophobicContact CG-CD1 3.72Å; W59-L137 HydrophobicContact CG-CD2 4.33Å; W59-L137 HydrophobicContact CG-CG 4.36Å; W59-L137 HydrophobicContact CH2-CB 3.99Å; W59-L137 HydrophobicContact CZ2-CB 3.62Å; W59-L137 HydrophobicContact CZ3-CB 4.24Å; G133-L137 VanDerWaalsContact O-CD1 3.3Å; G133-L137 WeakPolarHBondContact O-CD1 3.3Å; G133-L137 WeakPolarHBondContact O-CG 3.28Å; G133-L137 PolarHBondContact O-N 2.85Å; G133-L137 VanDerWaalsContact O-N 3.09Å; E134-L137 PolarHBondContact O-N 2.68Å; L137-S141 VanDerWaalsContact O-CB 3.31Å; L137-S141 WeakPolarHBondContact O-CB 3.23Å; L137-S141 PolarHBondContact O-N 3.09Å; L137-L181 HydrophobicContact CD1-CD2 3.7Å; L137-L181 HydrophobicContact CD2-CD1 4.13Å; L137-L181 HydrophobicContact CD2-CD2 4.13Å; L137-L181 HydrophobicContact CG-CD1 3.96Å; L137-L181 HydrophobicContact CG-CD2 3.96Å; L137-K186 HydrophobicContact CD1-CD 3.81Å; L137-K186 HydrophobicContact CD2-CB 3.76Å; L137-I187 HydrophobicContact CD2-CG2 3.6Å
138L84.5Confident83.7Confident46 Ų4656 Ų5624%0.24130%0.302CS..Hα-helixtrans-63-48.2173.2-70164.6000111.7W59 E134 V135 S141 A142W59-L138 HydrophobicContact CH2-CD2 3.98Å; W59-L138 HydrophobicContact CH2-CG 4.3Å; W59-L138 HydrophobicContact CZ2-CD2 4.01Å; W59-L138 HydrophobicContact CZ2-CG 4.09Å; E134-L138 WeakPolarHBondContact O-CG 3.28Å; E134-L138 PolarHBondContact O-N 2.72Å; V135-L138 PolarHBondContact O-N 2.79Å; L138-S141 WeakPolarHBondContact O-CB 3.17Å; L138-S141 PolarHBondContact O-N 2.79Å; L138-S141 VanDerWaalsContact O-N 3.16Å; L138-A142 PolarHBondContact O-N 3.38Å
139A87.3Confident84.2Confident7 Ų751.6 Ų51.66%0.05829%0.287CS..Hα-helixtrans-61.5-46.7177.500000112.4V135 L136 S141 A142 M143 L159V135-A139 WeakPolarHBondContact O-CB 3.31Å; V135-A139 PolarHBondContact O-N 3.43Å; L136-A139 PolarHBondContact O-N 2.93Å; A139-S141 VanDerWaalsContact C-N 3.27Å; A139-S141 PolarHBondContact O-N 3.26Å; A139-A142 PolarHBondContact O-N 2.76Å; A139-M143 VanDerWaalsContact O-CG 3.3Å; A139-M143 WeakPolarHBondContact O-CG 3.14Å; A139-M143 PolarHBondContact O-N 2.91Å; A139-L159 HydrophobicContact CB-CD2 4.01Å
140V88.5Confident84.8Confident0 Ų043.6 Ų43.60%025%0.252CS..Hα-helixtrans-60.7-37.7174.3174.20000110.2L136 N144 V150 L155 I187 Y194 I196L136-V140 VanDerWaalsContact O-CB 3.24Å; L136-V140 WeakPolarHBondContact O-CB 3.46Å; L136-V140 WeakPolarHBondContact O-CG2 3.25Å; L136-V140 PolarHBondContact O-N 2.79Å; V140-N144 VanDerWaalsContact CG1-ND2 3.31Å; V140-N144 WeakPolarHBondContact CG1-ND2 3.15Å; V140-N144 VanDerWaalsContact O-CB 3.29Å; V140-N144 WeakPolarHBondContact O-CB 3.27Å; V140-N144 PolarHBondContact O-N 3.34Å; V140-N144 VanDerWaalsContact O-N 3.09Å; V140-N144 PolarHBondContact O-ND2 2.75Å; V140-V150 HydrophobicContact CG1-CG1 4.44Å; V140-V150 HydrophobicContact CG2-CG1 4.02Å; V140-L155 HydrophobicContact CG2-CD1 3.65Å; V140-I187 HydrophobicContact CG1-CG2 4.21Å; V140-Y194 WeakPolarHBondContact CG1-O 3.47Å; V140-I196 HydrophobicContact CG1-CD1 4.44Å; V140-I196 HydrophobicContact CG1-CG1 3.76Å
141S85.4Confident85.3Confident23 Ų2343 Ų4316%0.16125%0.252CS..Hα-helixtrans-63.9-51.4176.2-162.20000111.8L137 L138 A139 M143 N144 S145L137-S141 VanDerWaalsContact O-CB 3.31Å; L137-S141 WeakPolarHBondContact O-CB 3.23Å; L137-S141 PolarHBondContact O-N 3.09Å; L138-S141 WeakPolarHBondContact O-CB 3.17Å; L138-S141 PolarHBondContact O-N 2.79Å; L138-S141 VanDerWaalsContact O-N 3.16Å; A139-S141 VanDerWaalsContact C-N 3.27Å; A139-S141 PolarHBondContact O-N 3.26Å; S141-M143 PolarHBondContact O-N 2.9Å; S141-N144 PolarHBondContact O-N 2.88Å; S141-S145 PolarHBondContact O-N 3.15Å; S141-S145 PolarHBondContact O-OG 3.45Å
142A83.8Confident85.4Confident42 Ų4242.9 Ų42.935%0.34725%0.247SC..Hα-helixtrans-63.2-39.4-178.700000112.8L138 A139 S145 A146L138-A142 PolarHBondContact O-N 3.38Å; A139-A142 PolarHBondContact O-N 2.76Å; A142-S145 PolarHBondContact O-OG 3.19Å; A142-S145 VanDerWaalsContact O-OG 3.11Å; A142-A146 VanDerWaalsContact O-CB 3.25Å; A142-A146 WeakPolarHBondContact O-CB 3.43Å; A142-A146 PolarHBondContact O-N 3.13Å
143M86.8Confident85.5Confident5 Ų548.1 Ų48.13%0.02527%0.271CS..Hα-helixtrans-68.4-40.2175.3-66.6173.573.800112A139 S141 A146 H147 K148 V150 A154 L155 H158A139-M143 VanDerWaalsContact O-CG 3.3Å; A139-M143 WeakPolarHBondContact O-CG 3.14Å; A139-M143 PolarHBondContact O-N 2.91Å; S141-M143 PolarHBondContact O-N 2.9Å; M143-A146 CarbonylContact O-C 3.53Å; M143-A146 PolarHBondContact O-N 3.46Å; M143-H147 PolarHBondContact O-N 3.13Å; M143-H147 VanDerWaalsContact O-N 3.17Å; M143-K148 HydrophobicContact CB-CB 4.36Å; M143-K148 PolarHBondContact O-N 3.11Å; M143-V150 HydrophobicContact CB-CG2 3.71Å; M143-V150 HydrophobicContact CE-CB 4.41Å; M143-V150 HydrophobicContact CE-CG1 4.21Å; M143-V150 HydrophobicContact CE-CG2 4.43Å; M143-V150 HydrophobicContact SD-CG1 4.04Å; M143-A154 HydrophobicContact CE-CB 3.61Å; M143-L155 HydrophobicContact SD-CB 4.15Å; M143-H158 HydrophobicContact CG-CB 4.36Å; M143-H158 VanDerWaalsContact CG-CD2 3.43Å; M143-H158 WeakPolarHBondContact CG-CD2 3.45Å; M143-H158 HydrophobicContact SD-CB 3.9Å
144N87.1Confident85.5Confident29 Ų2948.6 Ų48.616%0.15527%0.273CS..Hα-helixtrans-67.6-39.3178.3-83.6-62.5000112.8V140 S141 H147 Y194 F195V140-N144 VanDerWaalsContact CG1-ND2 3.31Å; V140-N144 WeakPolarHBondContact CG1-ND2 3.15Å; V140-N144 VanDerWaalsContact O-CB 3.29Å; V140-N144 WeakPolarHBondContact O-CB 3.27Å; V140-N144 PolarHBondContact O-N 3.34Å; V140-N144 VanDerWaalsContact O-N 3.09Å; V140-N144 PolarHBondContact O-ND2 2.75Å; S141-N144 PolarHBondContact O-N 2.88Å; N144-H147 PolarHBondContact O-N 2.89Å; N144-H147 VanDerWaalsContact O-N 3.16Å; N144-Y194 PolarHBondContact ND2-O 3.43Å; N144-F195 WeakPolarHBondContact OD1-CD1 3.46Å; N144-F195 WeakPolarHBondContact OD1-CE1 3.45Å
145S83.5Confident85.8Confident89 Ų8947.3 Ų47.362%0.62227%0.267SS*.Hα-helixtrans-71-30.6174.9620000112.6S141 A142 H147S141-S145 PolarHBondContact O-N 3.15Å; S141-S145 PolarHBondContact O-OG 3.45Å; A142-S145 PolarHBondContact O-OG 3.19Å; A142-S145 VanDerWaalsContact O-OG 3.11Å; S145-H147 PolarHBondContact O-N 2.96Å
146A83.6Confident85.7Confident60 Ų6048.3 Ų48.350%0.49627%0.273SS..THydrogen-bonded Turntrans-78.45.5169.200000114.2A142 M143 K148A142-A146 VanDerWaalsContact O-CB 3.25Å; A142-A146 WeakPolarHBondContact O-CB 3.43Å; A142-A146 PolarHBondContact O-N 3.13Å; M143-A146 CarbonylContact O-C 3.53Å; M143-A146 PolarHBondContact O-N 3.46Å; A146-K148 HydrophobicContact CB-CG 4.22Å; A146-K148 PolarHBondContact O-N 3.13Å; A146-K148 VanDerWaalsContact O-N 3.16Å
147H80.8Confident85.6Confident179 Ų17954.1 Ų54.183%0.82930%0.3SS*.THydrogen-bonded Turntrans52.330.1-176.3-63.6-57.2000115.1M143 N144 S145M143-H147 PolarHBondContact O-N 3.13Å; M143-H147 VanDerWaalsContact O-N 3.17Å; N144-H147 PolarHBondContact O-N 2.89Å; N144-H147 VanDerWaalsContact O-N 3.16Å; S145-H147 PolarHBondContact O-N 2.96Å
148K83.3Confident85.5Confident134 Ų13456.2 Ų56.258%0.58331%0.31SS*.  trans-88.5137.8174.6-64.1-172.6177.7-173.40110.7M143 A146 V150M143-K148 HydrophobicContact CB-CB 4.36Å; M143-K148 PolarHBondContact O-N 3.11Å; A146-K148 HydrophobicContact CB-CG 4.22Å; A146-K148 PolarHBondContact O-N 3.13Å; A146-K148 VanDerWaalsContact O-N 3.16Å; K148-V150 WeakPolarHBondContact O-CG2 3.46Å; K148-V150 PolarHBondContact O-N 3.25Å
149T82.7Confident85.6Confident84 Ų8454.6 Ų54.652%0.51530%0.301SS..  trans-62.6119.2174.247.40000110.6T151 D192T149-T151 VanDerWaalsContact C-N 3.28Å; T149-T151 PolarHBondContact O-N 2.88Å; T149-D192 WeakPolarHBondContact CB-O 3.4Å
150V87.3Confident85.5Confident0 Ų059.3 Ų59.30%032%0.322CS..  trans-8867.7-174-166.10000110.5V140 M143 K148 L155 G193 Y194V140-V150 HydrophobicContact CG1-CG1 4.44Å; V140-V150 HydrophobicContact CG2-CG1 4.02Å; M143-V150 HydrophobicContact CB-CG2 3.71Å; M143-V150 HydrophobicContact CE-CB 4.41Å; M143-V150 HydrophobicContact CE-CG1 4.21Å; M143-V150 HydrophobicContact CE-CG2 4.43Å; M143-V150 HydrophobicContact SD-CG1 4.04Å; K148-V150 WeakPolarHBondContact O-CG2 3.46Å; K148-V150 PolarHBondContact O-N 3.25Å; V150-L155 HydrophobicContact CG1-CD1 4.14Å; V150-G193 CarbonylContact O-C 3.51Å; V150-G193 WeakPolarHBondContact O-CA 3.4Å; V150-Y194 VanDerWaalsContact CB-O 3.3Å; V150-Y194 WeakPolarHBondContact CB-O 3.11Å; V150-Y194 WeakPolarHBondContact CG2-O 3.34Å; V150-Y194 WeakPolarHBondContact O-CD2 3.19Å; V150-Y194 PolarHBondContact O-N 2.78Å
151T87.3Confident85.3Confident54 Ų5464 Ų6433%0.33135%0.351SS..  trans-74.5162.216866.40000110.4T149 E153 A154 L155T149-T151 VanDerWaalsContact C-N 3.28Å; T149-T151 PolarHBondContact O-N 2.88Å; T151-E153 VanDerWaalsContact C-N 3.27Å; T151-E153 PolarHBondContact O-N 3.11Å; T151-A154 WeakPolarHBondContact OG1-CB 3.35Å; T151-A154 PolarHBondContact OG1-N 2.9Å; T151-A154 VanDerWaalsContact OG1-N 3.14Å; T151-L155 VanDerWaalsContact O-CB 3.23Å; T151-L155 WeakPolarHBondContact O-CB 3.29Å; T151-L155 PolarHBondContact O-N 3.48Å
152Q86.1Confident85Confident45 Ų4566 Ų6621%0.2136%0.364CS..Hα-helixtrans-60.9-39177.1-167.1173.4-80.800111.6L155 T156 E171Q152-L155 PolarHBondContact O-N 2.89Å; Q152-T156 PolarHBondContact O-N 3.48Å; Q152-T156 PolarHBondContact O-OG1 2.9Å; Q152-E171 PolarHBondContact NE2-OE1 3.09Å
153E85.6Confident84.7Confident154 Ų15468.1 Ų68.172%0.7237%0.366SS*.Hα-helixtrans-65.2-52.9177.5-64166.9176.800112.2T151 L155 T156 E157T151-E153 VanDerWaalsContact C-N 3.27Å; T151-E153 PolarHBondContact O-N 3.11Å; E153-L155 PolarHBondContact O-N 3.3Å; E153-T156 WeakPolarHBondContact CA-OG1 3.46Å; E153-T156 PolarHBondContact O-N 3.41Å; E153-T156 PolarHBondContact O-OG1 3.46Å; E153-E157 PolarHBondContact O-N 2.84Å
154A86.9Confident84.1Confident24 Ų2473.1 Ų73.120%0.19840%0.399CS..Hα-helixtrans-64.2-29.4178.800000111.9M143 T151 H158M143-A154 HydrophobicContact CE-CB 3.61Å; T151-A154 WeakPolarHBondContact OG1-CB 3.35Å; T151-A154 PolarHBondContact OG1-N 2.9Å; T151-A154 VanDerWaalsContact OG1-N 3.14Å; A154-H158 VanDerWaalsContact O-CB 3.28Å; A154-H158 WeakPolarHBondContact O-CB 3.14Å; A154-H158 PolarHBondContact O-N 2.88Å
155L88.4Confident83.2Confident0 Ų075.8 Ų75.80%043%0.433CS..Hα-helixtrans-71.5-39.2172.2178.4144.5000111.9L136 V140 M143 V150 T151 Q152 E153 H158 L159 L174L136-L155 HydrophobicContact CD2-CD1 3.86Å; L136-L155 HydrophobicContact CD2-CD2 3.45Å; L136-L155 VanDerWaalsContact CD2-CD2 3.45Å; L136-L155 HydrophobicContact CD2-CG 4.15Å; V140-L155 HydrophobicContact CG2-CD1 3.65Å; M143-L155 HydrophobicContact SD-CB 4.15Å; V150-L155 HydrophobicContact CG1-CD1 4.14Å; T151-L155 VanDerWaalsContact O-CB 3.23Å; T151-L155 WeakPolarHBondContact O-CB 3.29Å; T151-L155 PolarHBondContact O-N 3.48Å; Q152-L155 PolarHBondContact O-N 2.89Å; E153-L155 PolarHBondContact O-N 3.3Å; L155-H158 PolarHBondContact O-N 2.91Å; L155-L159 HydrophobicContact CD2-CD1 3.88Å; L155-L159 HydrophobicContact CD2-CG 4.45Å; L155-L159 WeakPolarHBondContact O-CG 3.36Å; L155-L159 PolarHBondContact O-N 2.86Å; L155-L174 HydrophobicContact CD2-CD2 3.91Å
156T85.9Confident83Confident39 Ų3975.9 Ų75.924%0.23943%0.429CS..Hα-helixtrans-63.6-43.1172380000112.6Q152 E153 L159 Q160 L174Q152-T156 PolarHBondContact O-N 3.48Å; Q152-T156 PolarHBondContact O-OG1 2.9Å; E153-T156 WeakPolarHBondContact CA-OG1 3.46Å; E153-T156 PolarHBondContact O-N 3.41Å; E153-T156 PolarHBondContact O-OG1 3.46Å; T156-L159 PolarHBondContact O-N 2.77Å; T156-Q160 WeakPolarHBondContact O-CG 3.24Å; T156-Q160 PolarHBondContact O-N 2.77Å; T156-L174 HydrophobicContact CG2-CD1 3.29Å
157E86.2Confident82.8Confident123 Ų12378.5 Ų78.558%0.57544%0.441SS*.Hα-helixtrans-61-44175.4-173.5-165.6163.400111.2E153 L159 Q160 T161E153-E157 PolarHBondContact O-N 2.84Å; E157-L159 PolarHBondContact O-N 2.84Å; E157-Q160 PolarHBondContact O-N 2.98Å; E157-T161 WeakPolarHBondContact O-CB 3.44Å; E157-T161 PolarHBondContact O-N 3.34Å; E157-T161 PolarHBondContact O-OG1 3.37Å
158H84.9Confident82.7Confident44 Ų4473.3 Ų73.320%0.20442%0.422CS..Hα-helixtrans-63.6-41176.6-172.141.8000112.2M143 A154 L155 T161 C162M143-H158 HydrophobicContact CG-CB 4.36Å; M143-H158 VanDerWaalsContact CG-CD2 3.43Å; M143-H158 WeakPolarHBondContact CG-CD2 3.45Å; M143-H158 HydrophobicContact SD-CB 3.9Å; A154-H158 VanDerWaalsContact O-CB 3.28Å; A154-H158 WeakPolarHBondContact O-CB 3.14Å; A154-H158 PolarHBondContact O-N 2.88Å; L155-H158 PolarHBondContact O-N 2.91Å; H158-T161 PolarHBondContact O-N 3.41Å; H158-C162 PolarHBondContact CE1-SG 2.99Å; H158-C162 WeakPolarHBondContact O-CB 3.25Å; H158-C162 PolarHBondContact O-N 2.9Å; H158-C162 PolarHBondContact O-SG 2.87Å
159L86.6Confident82.8Confident11 Ų1168.7 Ų68.76%0.05841%0.406CS..Hα-helixtrans-64.3-42.4174-71.3177.5000112.4V135 L136 A139 L155 T156 E157 T161 C162 F163 P169 L174V135-L159 HydrophobicContact CG1-CD2 3.65Å; L136-L159 HydrophobicContact CD2-CD1 4.12Å; A139-L159 HydrophobicContact CB-CD2 4.01Å; L155-L159 HydrophobicContact CD2-CD1 3.88Å; L155-L159 HydrophobicContact CD2-CG 4.45Å; L155-L159 WeakPolarHBondContact O-CG 3.36Å; L155-L159 PolarHBondContact O-N 2.86Å; T156-L159 PolarHBondContact O-N 2.77Å; E157-L159 PolarHBondContact O-N 2.84Å; L159-T161 VanDerWaalsContact C-N 3.31Å; L159-T161 PolarHBondContact O-N 2.81Å; L159-C162 PolarHBondContact O-N 2.84Å; L159-F163 HydrophobicContact CD2-CD2 4.1Å; L159-F163 HydrophobicContact CD2-CE2 3.98Å; L159-F163 WeakPolarHBondContact O-CB 3.5Å; L159-F163 WeakPolarHBondContact O-CD2 3.5Å; L159-F163 PolarHBondContact O-N 3Å; L159-P169 HydrophobicContact CD1-CG 4.19Å; L159-L174 HydrophobicContact CD1-CD2 4.15Å
160Q85.2Confident83Confident107 Ų10768.9 Ų68.950%0.541%0.407SS..Hα-helixtrans-60.1-41.6174.1-74.5172.6-15.800111.9T156 E157 T168T156-Q160 WeakPolarHBondContact O-CG 3.24Å; T156-Q160 PolarHBondContact O-N 2.77Å; E157-Q160 PolarHBondContact O-N 2.98Å; Q160-T168 HydrophobicContact CG-CG2 3.29Å
161T84.3Confident82.9Confident99 Ų9975.4 Ų75.461%0.60744%0.438SS*.Hα-helixtrans-69.9-40.7-178.9-55.50000112.2E157 H158 L159E157-T161 WeakPolarHBondContact O-CB 3.44Å; E157-T161 PolarHBondContact O-N 3.34Å; E157-T161 PolarHBondContact O-OG1 3.37Å; H158-T161 PolarHBondContact O-N 3.41Å; L159-T161 VanDerWaalsContact C-N 3.31Å; L159-T161 PolarHBondContact O-N 2.81Å
162C79Confident82.8Confident65 Ų6580.7 Ų80.744%0.43946%0.458SS..Hα-helixtrans-83.2-21.6-178.8-71.50000114H158 L159 P164H158-C162 PolarHBondContact CE1-SG 2.99Å; H158-C162 WeakPolarHBondContact O-CB 3.25Å; H158-C162 PolarHBondContact O-N 2.9Å; H158-C162 PolarHBondContact O-SG 2.87Å; L159-C162 PolarHBondContact O-N 2.84Å; C162-P164 VanDerWaalsContact C-CD 3.43Å
163F78.3Confident82.9Confident86 Ų8680.1 Ų80.138%0.37746%0.462SS..SBendtrans-128.758.7-178.8-56.5-73.7000112.3V135 L159 G165 V166V135-F163 HydrophobicContact CG1-CD2 4.35Å; V135-F163 HydrophobicContact CG1-CE2 3.53Å; V135-F163 HydrophobicContact CG1-CZ 3.9Å; L159-F163 HydrophobicContact CD2-CD2 4.1Å; L159-F163 HydrophobicContact CD2-CE2 3.98Å; L159-F163 WeakPolarHBondContact O-CB 3.5Å; L159-F163 WeakPolarHBondContact O-CD2 3.5Å; L159-F163 PolarHBondContact O-N 3Å; F163-G165 PolarHBondContact O-N 3.44Å; F163-V166 HydrophobicContact CB-CB 3.96Å; F163-V166 HydrophobicContact CB-CG2 3.86Å; F163-V166 WeakPolarHBondContact O-CB 3.44Å; F163-V166 PolarHBondContact O-N 2.91Å
164P72.8Confident83.1Confident110 Ų11072.9 Ų72.971%0.71443%0.428SS*.THydrogen-bonded Turntrans-59.4127.5-178.425.8-34.9000111C162C162-P164 VanDerWaalsContact C-CD 3.43Å
165G69.3Low83.1Confident84 Ų8476.5 Ų76.587%0.86644%0.44SS*.THydrogen-bonded Turntrans86.3-4-177.100000115.4F163F163-G165 PolarHBondContact O-N 3.44Å
166V79.4Confident83.2Confident92 Ų9281.8 Ų81.856%0.55847%0.465SS*.SBendtrans-82.5130.9166.6-179.80000108.9F163 T168F163-V166 HydrophobicContact CB-CB 3.96Å; F163-V166 HydrophobicContact CB-CG2 3.86Å; F163-V166 WeakPolarHBondContact O-CB 3.44Å; F163-V166 PolarHBondContact O-N 2.91Å; V166-T168 PolarHBondContact O-N 2.92Å
167P78.8Confident83.4Confident115 Ų11580.9 Ų80.975%0.74746%0.46SS*.PPolyproline II helixtrans-57.7126174.3-24.434.3000110.9
168T79.1Confident83.6Confident70 Ų7075 Ų7543%0.42943%0.432SS..PPolyproline II helixtrans-61.9135.9178.339.70000111.1Q160 V166Q160-T168 HydrophobicContact CG-CG2 3.29Å; V166-T168 PolarHBondContact O-N 2.92Å
169P83.8Confident83.7Confident36 Ų3675.3 Ų75.323%0.23444%0.439CS..PPolyproline II helixtrans-59.5142.5172.127.8-35.7000110.1L132 L159 L174L132-P169 HydrophobicContact CD1-CB 4.07Å; L132-P169 HydrophobicContact CD1-CG 3.89Å; L132-P169 HydrophobicContact CD2-CB 3.78Å; L132-P169 HydrophobicContact CD2-CG 4.4Å; L159-P169 HydrophobicContact CD1-CG 4.19Å; P169-L174 HydrophobicContact CB-CD2 4.25Å; P169-L174 HydrophobicContact CB-CG 4.08Å; P169-L174 HydrophobicContact CG-CD1 4.1Å; P169-L174 HydrophobicContact CG-CD2 3.59Å; P169-L174 HydrophobicContact CG-CG 3.76Å
170T86.9Confident83.8Confident89 Ų8977 Ų7755%0.54645%0.448SS..PPolyproline II helixtrans-63.5154178.758.40000111.1E172 A173 L174T170-E172 PolarHBondContact O-N 3.45Å; T170-A173 PolarHBondContact O-N 2.81Å; T170-A173 WeakPolarHBondContact OG1-CB 3.35Å; T170-A173 PolarHBondContact OG1-N 3.3Å; T170-L174 PolarHBondContact O-N 2.84Å
171E86.4Confident84Confident136 Ų13672.1 Ų72.164%0.63643%0.425SS*.Hα-helixtrans-55.8-41.1179.4-160.7-171.3162.300112Q152 A173 L174 H175Q152-E171 PolarHBondContact NE2-OE1 3.09Å; E171-A173 PolarHBondContact O-N 2.94Å; E171-L174 PolarHBondContact O-N 2.74Å; E171-H175 WeakPolarHBondContact O-CB 3.29Å; E171-H175 PolarHBondContact O-N 3.37Å
172E85.6Confident84.2Confident165 Ų16569.4 Ų69.477%0.77141%0.409SS*.Hα-helixtrans-60.3-44.9174.3-60.6-178.1165.900112.4T170 H176T170-E172 PolarHBondContact O-N 3.45Å; E172-H176 WeakPolarHBondContact O-CB 3.22Å; E172-H176 PolarHBondContact O-N 3.46Å
173A87.3Confident84.5Confident34 Ų3472.5 Ų72.528%0.28141%0.411SS..Hα-helixtrans-68-37.5179.300000111.9L132 T170 E171 T177L132-A173 HydrophobicContact CD2-CB 4.39Å; T170-A173 PolarHBondContact O-N 2.81Å; T170-A173 WeakPolarHBondContact OG1-CB 3.35Å; T170-A173 PolarHBondContact OG1-N 3.3Å; E171-A173 PolarHBondContact O-N 2.94Å; A173-T177 VanDerWaalsContact O-CB 3.25Å; A173-T177 WeakPolarHBondContact O-CB 3.38Å; A173-T177 PolarHBondContact O-N 3.04Å; A173-T177 PolarHBondContact O-OG1 3.24Å
174L89.4Confident84.8Confident2 Ų273.1 Ų73.11%0.0142%0.415CS..Hα-helixtrans-62.2-57.1171.5-75.3168.3000111.3L132 L136 L155 T156 L159 P169 T170 E171 H176 T177 L178L132-L174 HydrophobicContact CD1-CD2 4.49Å; L136-L174 HydrophobicContact CD1-CD2 4.41Å; L136-L174 HydrophobicContact CD2-CD2 3.7Å; L155-L174 HydrophobicContact CD2-CD2 3.91Å; T156-L174 HydrophobicContact CG2-CD1 3.29Å; L159-L174 HydrophobicContact CD1-CD2 4.15Å; P169-L174 HydrophobicContact CB-CD2 4.25Å; P169-L174 HydrophobicContact CB-CG 4.08Å; P169-L174 HydrophobicContact CG-CD1 4.1Å; P169-L174 HydrophobicContact CG-CD2 3.59Å; P169-L174 HydrophobicContact CG-CG 3.76Å; T170-L174 PolarHBondContact O-N 2.84Å; E171-L174 PolarHBondContact O-N 2.74Å; L174-H176 VanDerWaalsContact C-N 3.31Å; L174-H176 PolarHBondContact O-N 3.09Å; L174-T177 PolarHBondContact O-N 3.3Å; L174-T177 VanDerWaalsContact O-N 3.09Å; L174-L178 WeakPolarHBondContact O-CB 2.59Å; L174-L178 VanDerWaalsContact O-CG 3.31Å; L174-L178 WeakPolarHBondContact O-CG 2.7Å; L174-L178 PolarHBondContact O-N 2.86Å
175H88.1Confident85.2Confident99 Ų9973.9 Ų73.946%0.45840%0.403SS..Hα-helixtrans-61-39.5-178.2-179.3-95.8000111.9E171 S179E171-H175 WeakPolarHBondContact O-CB 3.29Å; E171-H175 PolarHBondContact O-N 3.37Å; H175-S179 VanDerWaalsContact O-CB 3.23Å; H175-S179 WeakPolarHBondContact O-CB 3.22Å; H175-S179 PolarHBondContact O-N 3.18Å; H175-S179 PolarHBondContact O-OG 2.84Å
176H89.8Confident85.9Confident111 Ų11172 Ų7251%0.51437%0.371SS..Hα-helixtrans-63.9-42.4173.8177.3-112.1000112.3E172 L174 S179 L180E172-H176 WeakPolarHBondContact O-CB 3.22Å; E172-H176 PolarHBondContact O-N 3.46Å; L174-H176 VanDerWaalsContact C-N 3.31Å; L174-H176 PolarHBondContact O-N 3.09Å; H176-S179 WeakPolarHBondContact O-CB 3.33Å; H176-S179 PolarHBondContact O-N 3.39Å; H176-L180 VanDerWaalsContact CE1-CD1 3.44Å; H176-L180 WeakPolarHBondContact CE1-CD1 3.44Å; H176-L180 PolarHBondContact O-N 3.43Å
177T91.1Very high86.4Confident21 Ų2167.7 Ų67.713%0.12935%0.345CS..Hα-helixtrans-75-36.6-179-51.30000112L132 L136 A173 L174 S179 L180 L181L132-T177 HydrophobicContact CB-CG2 4.45Å; L132-T177 HydrophobicContact CG-CG2 4.25Å; L136-T177 HydrophobicContact CD1-CG2 3.64Å; A173-T177 VanDerWaalsContact O-CB 3.25Å; A173-T177 WeakPolarHBondContact O-CB 3.38Å; A173-T177 PolarHBondContact O-N 3.04Å; A173-T177 PolarHBondContact O-OG1 3.24Å; L174-T177 PolarHBondContact O-N 3.3Å; L174-T177 VanDerWaalsContact O-N 3.09Å; T177-S179 VanDerWaalsContact C-N 3.33Å; T177-L180 VanDerWaalsContact O-CB 3.31Å; T177-L180 WeakPolarHBondContact O-CB 3.24Å; T177-L180 PolarHBondContact O-N 3.32Å; T177-L181 VanDerWaalsContact O-CG 3.28Å; T177-L181 WeakPolarHBondContact O-CG 3.31Å; T177-L181 PolarHBondContact O-N 3.04Å
178L89.7Confident86.7Confident0 Ų063.5 Ų63.50%032%0.315CS..Hα-helixtrans-62.2-42.5169.5-68.3166.4000110.5L136 L174 L180 L181 V182 I187 Y194L136-L178 HydrophobicContact CD1-CD2 4.27Å; L136-L178 HydrophobicContact CD1-CG 4.28Å; L174-L178 WeakPolarHBondContact O-CB 2.59Å; L174-L178 VanDerWaalsContact O-CG 3.31Å; L174-L178 WeakPolarHBondContact O-CG 2.7Å; L174-L178 PolarHBondContact O-N 2.86Å; L178-L180 VanDerWaalsContact C-N 3.33Å; L178-L180 PolarHBondContact O-N 3.42Å; L178-L181 PolarHBondContact O-N 2.85Å; L178-V182 WeakPolarHBondContact O-CG2 3.15Å; L178-V182 PolarHBondContact O-N 3.3Å; L178-I187 HydrophobicContact CB-CD1 4.47Å; L178-I187 HydrophobicContact CD2-CD1 3.65Å; L178-Y194 HydrophobicContact CB-CE1 4.23Å; L178-Y194 HydrophobicContact CD1-CD2 4.41Å; L178-Y194 HydrophobicContact CD1-CE2 3.83Å; L178-Y194 HydrophobicContact CD2-CD2 4.41Å; L178-Y194 HydrophobicContact CD2-CG 4.43Å
179S87.8Confident87.1Confident49 Ų4962.5 Ų62.534%0.34331%0.31SS..Hα-helixtrans-62.6-36.1174.2-63.80000113.2H175 H176 T177 R183H175-S179 VanDerWaalsContact O-CB 3.23Å; H175-S179 WeakPolarHBondContact O-CB 3.22Å; H175-S179 PolarHBondContact O-N 3.18Å; H175-S179 PolarHBondContact O-OG 2.84Å; H176-S179 WeakPolarHBondContact O-CB 3.33Å; H176-S179 PolarHBondContact O-N 3.39Å; T177-S179 VanDerWaalsContact C-N 3.33Å; S179-R183 WeakPolarHBondContact O-CB 3.23Å; S179-R183 PolarHBondContact O-N 3.33Å; S179-R183 VanDerWaalsContact O-N 3.11Å
180L88.8Confident87.1Confident46 Ų4663 Ų6324%0.24131%0.312CS..Hα-helixtrans-60.7-52169.3-88.8155.5000111.2H176 T177 L178 V182 R183 E184H176-L180 VanDerWaalsContact CE1-CD1 3.44Å; H176-L180 WeakPolarHBondContact CE1-CD1 3.44Å; H176-L180 PolarHBondContact O-N 3.43Å; T177-L180 VanDerWaalsContact O-CB 3.31Å; T177-L180 WeakPolarHBondContact O-CB 3.24Å; T177-L180 PolarHBondContact O-N 3.32Å; L178-L180 VanDerWaalsContact C-N 3.33Å; L178-L180 PolarHBondContact O-N 3.42Å; L180-V182 VanDerWaalsContact C-N 3.32Å; L180-V182 PolarHBondContact O-N 2.98Å; L180-R183 VanDerWaalsContact CD2-NH1 3.3Å; L180-R183 WeakPolarHBondContact O-CB 3.19Å; L180-R183 PolarHBondContact O-N 3.34Å; L180-R183 VanDerWaalsContact O-N 3.09Å; L180-E184 WeakPolarHBondContact O-CG 3.26Å; L180-E184 PolarHBondContact O-N 2.7Å
181L88.6Confident86.7Confident5 Ų565.1 Ų65.13%0.02633%0.328CS..Hα-helixtrans-64.3-33.1-178.1-67.5175.9000113.3L136 L137 T177 L178 R185 K186 I187L136-L181 HydrophobicContact CB-CD1 3.89Å; L136-L181 HydrophobicContact CD1-CD1 4.35Å; L137-L181 HydrophobicContact CD1-CD2 3.7Å; L137-L181 HydrophobicContact CD2-CD1 4.13Å; L137-L181 HydrophobicContact CD2-CD2 4.13Å; L137-L181 HydrophobicContact CG-CD1 3.96Å; L137-L181 HydrophobicContact CG-CD2 3.96Å; T177-L181 VanDerWaalsContact O-CG 3.28Å; T177-L181 WeakPolarHBondContact O-CG 3.31Å; T177-L181 PolarHBondContact O-N 3.04Å; L178-L181 PolarHBondContact O-N 2.85Å; L181-R185 PolarHBondContact O-N 2.56Å; L181-K186 HydrophobicContact CD2-CB 4.4Å; L181-K186 HydrophobicContact CD2-CD 3.79Å; L181-K186 PolarHBondContact O-N 2.66Å; L181-I187 HydrophobicContact CB-CD1 3.69Å; L181-I187 HydrophobicContact CB-CG1 3.78Å; L181-I187 HydrophobicContact CD1-CD1 4.23Å; L181-I187 PolarHBondContact O-N 3.49Å
182V88.3Confident86.3Confident43 Ų4363.3 Ų63.326%0.26132%0.322SS..Hα-helixtrans-67.2-43.7171.1173.20000110.9L178 L180 E184 R185 I187 Y194L178-V182 WeakPolarHBondContact O-CG2 3.15Å; L178-V182 PolarHBondContact O-N 3.3Å; L180-V182 VanDerWaalsContact C-N 3.32Å; L180-V182 PolarHBondContact O-N 2.98Å; V182-E184 VanDerWaalsContact C-N 3.33Å; V182-E184 PolarHBondContact O-N 2.68Å; V182-R185 PolarHBondContact O-N 2.83Å; V182-I187 WeakPolarHBondContact CA-O 3.45Å; V182-I187 HydrophobicContact CG2-CD1 4.13Å; V182-I187 HydrophobicContact CG2-CG1 3.65Å; V182-Y194 HydrophobicContact CG2-CD1 4.41Å; V182-Y194 HydrophobicContact CG2-CE1 4.26Å
183R85.1Confident86.3Confident130 Ų13055.9 Ų55.949%0.49129%0.29SS..Hα-helixtrans-64.3-38.7177.3-156.9-159.1-41.41186.1112.2S179 L180 R185S179-R183 WeakPolarHBondContact O-CB 3.23Å; S179-R183 PolarHBondContact O-N 3.33Å; S179-R183 VanDerWaalsContact O-N 3.11Å; L180-R183 VanDerWaalsContact CD2-NH1 3.3Å; L180-R183 WeakPolarHBondContact O-CB 3.19Å; L180-R183 PolarHBondContact O-N 3.34Å; L180-R183 VanDerWaalsContact O-N 3.09Å; R183-R185 PolarHBondContact O-N 3.03Å
184E84.4Confident86.4Confident98 Ų9856.1 Ų56.146%0.45828%0.284SS..THydrogen-bonded Turntrans-72-4.5173.8-70.9-179.5-167.600113.4L180 V182 K186L180-E184 WeakPolarHBondContact O-CG 3.26Å; L180-E184 PolarHBondContact O-N 2.7Å; V182-E184 VanDerWaalsContact C-N 3.33Å; V182-E184 PolarHBondContact O-N 2.68Å; E184-K186 HydrophobicContact CB-CD 4.24Å; E184-K186 HydrophobicContact CB-CG 4.14Å; E184-K186 PolarHBondContact O-N 3.16Å; E184-K186 WeakPolarHBondContact OE2-CD 3.25Å; E184-K186 WeakPolarHBondContact OE2-CE 3.46Å; E184-K186 IonicContact OE2-NZ 2.54Å; E184-K186 PolarHBondContact OE2-NZ 2.91Å
185R81.9Confident86.2Confident126 Ų12658.7 Ų58.748%0.47530%0.295SS..THydrogen-bonded Turntrans55.834.2-175.9-49.6-176.9-173.3177.33.5113.6L181 V182 R183 V197 Y202L181-R185 PolarHBondContact O-N 2.56Å; V182-R185 PolarHBondContact O-N 2.83Å; R183-R185 PolarHBondContact O-N 3.03Å; R185-V197 WeakPolarHBondContact O-CB 3.45Å; R185-V197 WeakPolarHBondContact O-CG1 3.25Å; R185-V197 VanDerWaalsContact O-CG2 3.3Å; R185-V197 WeakPolarHBondContact O-CG2 3.37Å; R185-Y202 PolarHBondContact NH1-OH 2.85Å
186K83.7Confident86.2Confident44 Ų4455 Ų5519%0.19128%0.278CS..SBendtrans-88.2-33.8171.9-65.1175.9172.5165.20111.6W59 L137 L181 E184 V197W59-K186 HydrophobicContact CB-CB 4.18Å; W59-K186 HydrophobicContact CB-CD 4.19Å; W59-K186 HydrophobicContact CB-CG 4.01Å; L137-K186 HydrophobicContact CD1-CD 3.81Å; L137-K186 HydrophobicContact CD2-CB 3.76Å; L181-K186 HydrophobicContact CD2-CB 4.4Å; L181-K186 HydrophobicContact CD2-CD 3.79Å; L181-K186 PolarHBondContact O-N 2.66Å; E184-K186 HydrophobicContact CB-CD 4.24Å; E184-K186 HydrophobicContact CB-CG 4.14Å; E184-K186 PolarHBondContact O-N 3.16Å; E184-K186 WeakPolarHBondContact OE2-CD 3.25Å; E184-K186 WeakPolarHBondContact OE2-CE 3.46Å; E184-K186 IonicContact OE2-NZ 2.54Å; E184-K186 PolarHBondContact OE2-NZ 2.91Å; K186-V197 PolarHBondContact O-N 2.91Å
187I89.1Confident85.9Confident2 Ų250.2 Ų50.21%0.0126%0.257CS..EExtended strand (participates in β ladder)trans-126.9162.317171-175.4000110.7L137 V140 L178 L181 V182 Y194 F195L137-I187 HydrophobicContact CD2-CG2 3.6Å; V140-I187 HydrophobicContact CG1-CG2 4.21Å; L178-I187 HydrophobicContact CB-CD1 4.47Å; L178-I187 HydrophobicContact CD2-CD1 3.65Å; L181-I187 HydrophobicContact CB-CD1 3.69Å; L181-I187 HydrophobicContact CB-CG1 3.78Å; L181-I187 HydrophobicContact CD1-CD1 4.23Å; L181-I187 PolarHBondContact O-N 3.49Å; V182-I187 WeakPolarHBondContact CA-O 3.45Å; V182-I187 HydrophobicContact CG2-CD1 4.13Å; V182-I187 HydrophobicContact CG2-CG1 3.65Å; I187-Y194 HydrophobicContact CD1-CD1 3.75Å; I187-Y194 HydrophobicContact CD1-CE1 4.43Å; I187-Y194 HydrophobicContact CD1-CG 4.25Å; I187-Y194 HydrophobicContact CG1-CD1 4.32Å; I187-F195 CarbonylContact C-O 3.49Å; I187-F195 WeakPolarHBondContact CA-O 3.49Å; I187-F195 WeakPolarHBondContact CB-O 3.34Å
188Y86.8Confident85.3Confident27 Ų2750.7 Ų50.711%0.10626%0.26CS..EExtended strand (participates in β ladder)trans-133.5137.4171.467.8-84.7000111.2T190 F195 I196 V197 T201 T205Y188-T190 WeakPolarHBondContact CD2-OG1 3.38Å; Y188-T190 WeakPolarHBondContact CE2-OG1 3.38Å; Y188-F195 HydrophobicContact CD1-CB 4Å; Y188-F195 VanDerWaalsContact CD1-O 3.29Å; Y188-F195 WeakPolarHBondContact CD1-O 3.37Å; Y188-F195 HydrophobicContact CD2-CB 4.37Å; Y188-F195 HydrophobicContact CE1-CB 3.44Å; Y188-F195 VanDerWaalsContact CE1-CB 3.44Å; Y188-F195 HydrophobicContact CE2-CB 3.85Å; Y188-F195 HydrophobicContact CE2-CG 4.41Å; Y188-F195 HydrophobicContact CG-CB 4.44Å; Y188-F195 PolarHBondContact N-O 2.8Å; Y188-F195 PolarHBondContact O-N 3.41Å; Y188-I196 WeakPolarHBondContact CE1-O 3.5Å; Y188-V197 HydrophobicContact CD1-CG2 3.77Å; Y188-V197 HydrophobicContact CG-CG2 4.47Å; Y188-T201 HydrophobicContact CE1-CG2 4.13Å; Y188-T201 WeakPolarHBondContact OH-CG2 3.45Å; Y188-T205 HydrophobicContact CD1-CG2 4.19Å; Y188-T205 HydrophobicContact CG-CG2 3.88Å
189P86.4Confident84.2Confident50 Ų5054.9 Ų54.933%0.32529%0.287SS..EExtended strand (participates in β ladder)trans-78.7140.2174.732.9-34000110.7Y194 L208P189-Y194 HydrophobicContact CB-CD1 4.24Å; P189-Y194 HydrophobicContact CB-CE1 4.11Å; P189-L208 HydrophobicContact CG-CD1 4.28Å; P189-L208 HydrophobicContact CG-CD2 3.85Å
190T84.6Confident83Confident45 Ų4559.4 Ų59.428%0.27630%0.303SS..EExtended strand (participates in β ladder)trans-132.6156.9177.5-57.10000106.9Y188 D192 G193 F195Y188-T190 WeakPolarHBondContact CD2-OG1 3.38Å; Y188-T190 WeakPolarHBondContact CE2-OG1 3.38Å; T190-D192 PolarHBondContact O-N 2.87Å; T190-D192 VanDerWaalsContact O-N 3.08Å; T190-G193 WeakPolarHBondContact CA-O 3.47Å; T190-G193 WeakPolarHBondContact CB-O 3.38Å; T190-G193 PolarHBondContact N-O 3.4Å; T190-G193 PolarHBondContact O-N 3.42Å; T190-F195 HydrophobicContact CG2-CD2 4.29Å; T190-F195 HydrophobicContact CG2-CE2 4Å; T190-F195 WeakPolarHBondContact OG1-CD2 3.01Å
191P77.9Confident82.2Confident135 Ų13558.3 Ų58.388%0.87730%0.298SS*.THydrogen-bonded Turntrans-52-31.3175.3-30.438.1000114
192D78.1Confident81.1Confident97 Ų9763.5 Ų63.552%0.51932%0.318SS..THydrogen-bonded Turntrans-90.54.8-178.9-40.8-76.8000114.2T149 T190 F195T149-D192 WeakPolarHBondContact CB-O 3.4Å; T190-D192 PolarHBondContact O-N 2.87Å; T190-D192 VanDerWaalsContact O-N 3.08Å; D192-F195 HydrophobicContact CB-CE2 4.42Å
193G85.9Confident79.6Confident10 Ų1069.8 Ų69.810%0.10334%0.343CS..EExtended strand (participates in β ladder)trans128.9-165.317600000115.9V150 T190 F195V150-G193 CarbonylContact O-C 3.51Å; V150-G193 WeakPolarHBondContact O-CA 3.4Å; T190-G193 WeakPolarHBondContact CA-O 3.47Å; T190-G193 WeakPolarHBondContact CB-O 3.38Å; T190-G193 PolarHBondContact N-O 3.4Å; T190-G193 PolarHBondContact O-N 3.42Å; G193-F195 WeakPolarHBondContact O-CD2 3.37Å
194Y88.1Confident78.4Confident39 Ų3968.4 Ų68.415%0.15334%0.344CS..EExtended strand (participates in β ladder)trans-90.5126.9176.6-63.3-84.8000112.9V140 N144 V150 L178 V182 I187 P189V140-Y194 WeakPolarHBondContact CG1-O 3.47Å; N144-Y194 PolarHBondContact ND2-O 3.43Å; V150-Y194 VanDerWaalsContact CB-O 3.3Å; V150-Y194 WeakPolarHBondContact CB-O 3.11Å; V150-Y194 WeakPolarHBondContact CG2-O 3.34Å; V150-Y194 WeakPolarHBondContact O-CD2 3.19Å; V150-Y194 PolarHBondContact O-N 2.78Å; L178-Y194 HydrophobicContact CB-CE1 4.23Å; L178-Y194 HydrophobicContact CD1-CD2 4.41Å; L178-Y194 HydrophobicContact CD1-CE2 3.83Å; L178-Y194 HydrophobicContact CD2-CD2 4.41Å; L178-Y194 HydrophobicContact CD2-CG 4.43Å; V182-Y194 HydrophobicContact CG2-CD1 4.41Å; V182-Y194 HydrophobicContact CG2-CE1 4.26Å; I187-Y194 HydrophobicContact CD1-CD1 3.75Å; I187-Y194 HydrophobicContact CD1-CE1 4.43Å; I187-Y194 HydrophobicContact CD1-CG 4.25Å; I187-Y194 HydrophobicContact CG1-CD1 4.32Å; P189-Y194 HydrophobicContact CB-CD1 4.24Å; P189-Y194 HydrophobicContact CB-CE1 4.11Å
195F87.1Confident77Confident56 Ų5664.5 Ų64.525%0.24633%0.327CS..EExtended strand (participates in β ladder)trans-117.6147.1-179.5-70.3-97.6000111.1N144 I187 Y188 T190 D192 G193N144-F195 WeakPolarHBondContact OD1-CD1 3.46Å; N144-F195 WeakPolarHBondContact OD1-CE1 3.45Å; I187-F195 CarbonylContact C-O 3.49Å; I187-F195 WeakPolarHBondContact CA-O 3.49Å; I187-F195 WeakPolarHBondContact CB-O 3.34Å; Y188-F195 HydrophobicContact CD1-CB 4Å; Y188-F195 VanDerWaalsContact CD1-O 3.29Å; Y188-F195 WeakPolarHBondContact CD1-O 3.37Å; Y188-F195 HydrophobicContact CD2-CB 4.37Å; Y188-F195 HydrophobicContact CE1-CB 3.44Å; Y188-F195 VanDerWaalsContact CE1-CB 3.44Å; Y188-F195 HydrophobicContact CE2-CB 3.85Å; Y188-F195 HydrophobicContact CE2-CG 4.41Å; Y188-F195 HydrophobicContact CG-CB 4.44Å; Y188-F195 PolarHBondContact N-O 2.8Å; Y188-F195 PolarHBondContact O-N 3.41Å; T190-F195 HydrophobicContact CG2-CD2 4.29Å; T190-F195 HydrophobicContact CG2-CE2 4Å; T190-F195 WeakPolarHBondContact OG1-CD2 3.01Å; D192-F195 HydrophobicContact CB-CE2 4.42Å; G193-F195 WeakPolarHBondContact O-CD2 3.37Å
196I87.5Confident75.6Confident20 Ų2062 Ų6210%0.10333%0.327CS..EExtended strand (participates in β ladder)trans-72.7135.9176.9-60.2-164.3000110.6W59 V140 Y188 T198 T201W59-I196 HydrophobicContact CE3-CD1 3.98Å; W59-I196 HydrophobicContact CZ3-CD1 3.66Å; V140-I196 HydrophobicContact CG1-CD1 4.44Å; V140-I196 HydrophobicContact CG1-CG1 3.76Å; Y188-I196 WeakPolarHBondContact CE1-O 3.5Å; I196-T198 PolarHBondContact O-N 3.01Å; I196-T201 PolarHBondContact O-OG1 3.32Å
197V83.8Confident74Confident12 Ų1263.8 Ų63.87%0.07335%0.345CS..  trans-73.2113171.9177.10000109R185 K186 Y188 Y202 T205R185-V197 WeakPolarHBondContact O-CB 3.45Å; R185-V197 WeakPolarHBondContact O-CG1 3.25Å; R185-V197 VanDerWaalsContact O-CG2 3.3Å; R185-V197 WeakPolarHBondContact O-CG2 3.37Å; K186-V197 PolarHBondContact O-N 2.91Å; Y188-V197 HydrophobicContact CD1-CG2 3.77Å; Y188-V197 HydrophobicContact CG-CG2 4.47Å; V197-Y202 HydrophobicContact CG1-CD2 3.61Å; V197-Y202 HydrophobicContact CG1-CE2 4.09Å; V197-T205 HydrophobicContact CG2-CG2 4.12Å
198T77.4Confident72.2Confident31 Ų3166.7 Ų66.719%0.1936%0.36CS..  trans-108.9163.8173.167.50000109.6I58 I196 Q200 T201 Y202I58-T198 HydrophobicContact CD1-CG2 4.03Å; I196-T198 PolarHBondContact O-N 3.01Å; T198-Q200 PolarHBondContact O-N 2.9Å; T198-Q200 PolarHBondContact OG1-OE1 2.86Å; T198-T201 PolarHBondContact N-OG1 2.85Å; T198-T201 PolarHBondContact O-N 3.02Å; T198-T201 VanDerWaalsContact O-N 3.08Å; T198-T201 PolarHBondContact O-OG1 3.42Å; T198-T201 PolarHBondContact OG1-N 2.86Å; T198-T201 PolarHBondContact OG1-OG1 2.82Å; T198-Y202 PolarHBondContact O-N 2.75Å
199P67.1Low70.6Confident87 Ų8770 Ų7057%0.56538%0.379SS*.THydrogen-bonded Turntrans-53.6-26.9173.8-27.936.4000113.8
200Q63.1Low68.7Low144 Ų14478.2 Ų78.267%0.67340%0.403SS*.THydrogen-bonded Turntrans-78.1-41.6177.4-61.778.43.100112.2T198 Y202T198-Q200 PolarHBondContact O-N 2.9Å; T198-Q200 PolarHBondContact OG1-OE1 2.86Å; Q200-Y202 VanDerWaalsContact C-N 3.35Å
201T72Confident66.6Low24 Ų2481.8 Ų81.815%0.14743%0.425CS..G310 helixtrans-83.5-8.9179.859.30000113.6Y188 I196 T198 F203 I204Y188-T201 HydrophobicContact CE1-CG2 4.13Å; Y188-T201 WeakPolarHBondContact OH-CG2 3.45Å; I196-T201 PolarHBondContact O-OG1 3.32Å; T198-T201 PolarHBondContact N-OG1 2.85Å; T198-T201 PolarHBondContact O-N 3.02Å; T198-T201 VanDerWaalsContact O-N 3.08Å; T198-T201 PolarHBondContact O-OG1 3.42Å; T198-T201 PolarHBondContact OG1-N 2.86Å; T198-T201 PolarHBondContact OG1-OG1 2.82Å; T201-F203 PolarHBondContact O-N 2.8Å; T201-I204 HydrophobicContact CG2-CD1 4.43Å; T201-I204 WeakPolarHBondContact O-CB 3.37Å; T201-I204 PolarHBondContact O-N 3.29Å
202Y63.9Low64.6Low113 Ų11378.5 Ų78.544%0.44341%0.405SS..G310 helixtrans-56.6-19.8177.5-146.7-85.7000114.7R185 V197 T198 Q200 T205R185-Y202 PolarHBondContact NH1-OH 2.85Å; V197-Y202 HydrophobicContact CG1-CD2 3.61Å; V197-Y202 HydrophobicContact CG1-CE2 4.09Å; T198-Y202 PolarHBondContact O-N 2.75Å; Q200-Y202 VanDerWaalsContact C-N 3.35Å; Y202-T205 PolarHBondContact O-OG1 2.96Å
203F58.3Low62.8Low176 Ų17677.1 Ų77.177%0.77240%0.403SS*.G310 helixtrans-82.1-14.7175.3-65.6-81000114.1T201 P206T201-F203 PolarHBondContact O-N 2.8Å; F203-P206 WeakPolarHBondContact O-CD 3.43Å
204I58.9Low60.6Low100 Ų10086.1 Ų86.151%0.51344%0.439SS..THydrogen-bonded Turntrans-91.7-35-176.3-53.4175000110.8T201 P206 S207T201-I204 HydrophobicContact CG2-CD1 4.43Å; T201-I204 WeakPolarHBondContact O-CB 3.37Å; T201-I204 PolarHBondContact O-N 3.29Å; I204-P206 WeakPolarHBondContact O-CD 3.29Å; I204-S207 PolarHBondContact O-OG 3.27Å
205T55.5Low58.1Low16 Ų1695.3 Ų95.310%0.09847%0.474CS..THydrogen-bonded Turntrans-64.4-19.4-178.743.70000118.4Y188 V197 Y202 S207 L208Y188-T205 HydrophobicContact CD1-CG2 4.19Å; Y188-T205 HydrophobicContact CG-CG2 3.88Å; V197-T205 HydrophobicContact CG2-CG2 4.12Å; Y202-T205 PolarHBondContact O-OG1 2.96Å; T205-S207 PolarHBondContact O-N 2.83Å; T205-L208 PolarHBondContact O-N 2.74Å
206P53.4Low55.7Low74 Ų7499.6 Ų99.648%0.48149%0.489SS..Hα-helixtrans-55.9-27.1176.5-27.836.4000114F203 I204 L208 I209F203-P206 WeakPolarHBondContact O-CD 3.43Å; I204-P206 WeakPolarHBondContact O-CD 3.29Å; P206-L208 PolarHBondContact O-N 2.88Å; P206-I209 PolarHBondContact O-N 2.87Å
207S48.2Very low53.2Low81 Ų81105.7 Ų105.757%0.56652%0.517SS*.Hα-helixtrans-57.8-43.7-179.7-45.60000113.3I204 T205 I209 R210I204-S207 PolarHBondContact O-OG 3.27Å; T205-S207 PolarHBondContact O-N 2.83Å; S207-I209 VanDerWaalsContact C-N 3.26Å; S207-I209 PolarHBondContact O-N 2.91Å; S207-R210 PolarHBondContact O-N 2.83Å
208L52.7Low50.9Low64 Ų64112.4 Ų112.434%0.33555%0.552SS.*Hα-helixtrans-68.7-23.4-174.3-75.8154.5000113.3P189 T205 P206 R210 S212P189-L208 HydrophobicContact CG-CD1 4.28Å; P189-L208 HydrophobicContact CG-CD2 3.85Å; T205-L208 PolarHBondContact O-N 2.74Å; P206-L208 PolarHBondContact O-N 2.88Å; L208-R210 VanDerWaalsContact C-N 3.28Å; L208-R210 PolarHBondContact O-N 3.33Å; L208-S212 PolarHBondContact O-OG 3.38Å
209I52.4Low49Very low96 Ų96117.5 Ų117.549%0.49258%0.578SS.*Hα-helixtrans-70.8-27.3177.9-52.1177000110.6P206 S207P206-I209 PolarHBondContact O-N 2.87Å; S207-I209 VanDerWaalsContact C-N 3.26Å; S207-I209 PolarHBondContact O-N 2.91Å
210R45.9Very low47.3Very low223 Ų223122.5 Ų122.584%0.84259%0.594SS**Hα-helixtrans-88.4-17.6-171.9-146.7179.979.5-179.43.6114.8S207 L208S207-R210 PolarHBondContact O-N 2.83Å; L208-R210 VanDerWaalsContact C-N 3.28Å; L208-R210 PolarHBondContact O-N 3.33Å
211T42.4Very low45.8Very low120 Ų120122.9 Ų122.974%0.73659%0.589SS**Hα-helixtrans-100.2-22-173.9510000114.3
212S35.4Very low43.9Very low66 Ų66127.3 Ų127.346%0.46262%0.616SS.*SBendtrans-90.22179.453.60000114.3L208 K214L208-S212 PolarHBondContact O-OG 3.38Å; S212-K214 VanDerWaalsContact C-N 3.34Å; S212-K214 PolarHBondContact O-N 3.46Å
213S39.9Very low42.5Very low67 Ų67126.5 Ų126.547%0.46963%0.627SS.*THydrogen-bonded Turntrans-78.172.3-171.3-166.60000114.2
214K40.1Very low41.2Very low199 Ų199124.6 Ų124.687%0.86563%0.625SS**THydrogen-bonded Turntrans-120-15.1157.2-102.9-175.4177179.90114.3S212S212-K214 VanDerWaalsContact C-N 3.34Å; S212-K214 PolarHBondContact O-N 3.46Å
215W34.7Very low39.8Very low232 Ų232128.1 Ų128.188%0.87963%0.632SS**SBendtrans-115.9-26.5-177.6-66.6105.3000114.2H217W215-H217 VanDerWaalsContact C-N 3.33Å; W215-H217 PolarHBondContact O-N 3.4Å
216Y36.5Very low38.7Very low147 Ų147137.6 Ų137.658%0.57667%0.667SS**THydrogen-bonded Turntrans-82.170-179.7-71.1-75.9000112.9
217H36.6Very low37.8Very low148 Ų148142.7 Ų142.769%0.68569%0.685SS**THydrogen-bonded Turntrans-139.2-2171.7-129.9-34.4000117W215W215-H217 VanDerWaalsContact C-N 3.33Å; W215-H217 PolarHBondContact O-N 3.4Å
218L34.4Very low37.1Very low152 Ų152146.3 Ų146.380%0.79670%0.698SS**SBendtrans-94.7-51.2-173.1-162.757.3000114.6
219D37.3Very low36.1Very low139 Ų139151.9 Ų151.974%0.74372%0.722SS**SBendtrans-92.7-26.4-166.5-69.5-55.8000116.5R221 T222D219-R221 PolarHBondContact O-N 2.87Å; D219-T222 PolarHBondContact O-OG1 2.82Å
220E31.7Very low35.1Very low191 Ų191156.8 Ų156.889%0.89374%0.74SS**THydrogen-bonded Turntrans-8538.2-172.4-153.7170.9-147.400114
221R31.7Very low34.7Very low152 Ų152155 Ų15557%0.57474%0.741SS**THydrogen-bonded Turntrans-130.56.5-176.8-136.3178.9-168175.96.6116.5D219D219-R221 PolarHBondContact O-N 2.87Å
222T32.7Very low34.3Very low117 Ų117158.4 Ų158.472%0.71875%0.749SS**SBendtrans-99.2-29.1-178.937.80000114D219D219-T222 PolarHBondContact O-OG1 2.82Å
223S33.9Very low34.1Very low97 Ų97164.4 Ų164.468%0.67876%0.761SS**SBendtrans-86.3-54.2-178.1-58.40000114.2R225S223-R225 VanDerWaalsContact C-N 3.34Å; S223-R225 PolarHBondContact O-N 2.88Å
224D31.4Very low33.7Very low135 Ų135170.2 Ų170.272%0.72278%0.78SS**G310 helixtrans-75.1-12.9-163.9-915.6000116.4Y226D224-Y226 PolarHBondContact O-N 3.14Å
225R30Very low33.4Very low175 Ų175169.6 Ų169.666%0.6678%0.78SS**G310 helixtrans-76.6-1.2-179.5-81.8-165.1-73.6179.1-2.4115.2S223S223-R225 VanDerWaalsContact C-N 3.34Å; S223-R225 PolarHBondContact O-N 2.88Å
226Y31.2Very low33.1Very low215 Ų215165.4 Ų165.484%0.84377%0.771SS**G310 helixtrans-103.1-11-180-93.9-75.1000116.8D224D224-Y226 PolarHBondContact O-N 3.14Å
227Q34.1Very low32.8Very low181 Ų181163.6 Ų163.685%0.84678%0.775SS**THydrogen-bonded Turntrans-97.8-37.9172.1-73.3-160.1-6.400113.7Q229Q227-Q229 PolarHBondContact O-N 2.91Å
228N33.7Very low32.5Very low156 Ų156164.6 Ų164.683%0.83478%0.78SS**THydrogen-bonded Turntrans-80.220-171.1-104-37.3000116.2
229Q31.5Very low32.1Very low182 Ų182163.9 Ų163.985%0.8579%0.786SS**THydrogen-bonded Turntrans-125.942.4175.6-154.1177.764.900113.8Q227Q227-Q229 PolarHBondContact O-N 2.91Å
230K32.4Very low31.7Very low199 Ų199165.1 Ų165.187%0.86579%0.791SS**SBendtrans-135.43166.7-127.8174.3-174.2175.80117.3
231Q37.2Very low31.5Very low185 Ų185161.1 Ų161.186%0.86479%0.785SS**SBendtrans-134.280.9165.6-77.6-169.7-13.300111.3
232Q33.8Very low31.9Very low192 Ų192159.6 Ų159.690%0.89779%0.794SS**  trans178.590.8140.5-100.1172.847.100111.7
233R30.6Very low31.7Very low191 Ų191162.1 Ų162.172%0.72180%0.803SS**  trans-163.577.6143-95.8-138.574173.20.6110.2
234H31.3Very low31.7Very low190 Ų190163.7 Ų163.788%0.8881%0.814SS**SBend-155.2125124.7-90.375.1000102.3
235Q34.1Very low31.6Very low185 Ų185161 Ų16186%0.86482%0.817SS**  cis-122.3-178.732.4-61.3173.787.300113.2
236Q30.1Very low31.6Very low145 Ų145159.1 Ų159.168%0.67883%0.826SS**  trans-83.2156.2173.4-155.1143-3200108
237T30Very low31.7Very low109 Ų109156.6 Ų156.667%0.66983%0.825SS**  -170.6133.667.4-67.20000112.8
238Q29Very low31.5Very low169 Ų169153.3 Ų153.379%0.7982%0.817SS**  trans42.1121.9155.3-59.6166.528.500121.2
239C27Very low31.5Very low137 Ų137152 Ų15293%0.92682%0.818SS**  -149.4163.7124.2-107.30000109
240I29.1Very low31.2Very low164 Ų164149.2 Ų149.284%0.84182%0.818SS**  trans-108.5139.5-164.9-62.3169.2000111.3
241S26.3Very low31Very low108 Ų108147.4 Ų147.476%0.75582%0.818SS**PPolyproline II helixtrans-95.3137.3173.5-48.70000112.4
242P39.8Very low30.8Very low120 Ų120144.1 Ų144.178%0.77982%0.815SS**PPolyproline II helixtrans-91165.5154.434.8-30.3000111.8
243L29Very low30.5Very low170 Ų170138.5 Ų138.589%0.8981%0.809SS**PPolyproline II helixtrans-76.7152.7-178-84.361000112.6
244S33.6Very low30.3Very low130 Ų130133.3 Ų133.391%0.90981%0.814SS**PPolyproline II helixtrans-79.9135.7160.2-57.20000110.7
245G30.3Very low30Very low78 Ų78133.8 Ų133.880%0.80481%0.814SS**  trans-126.9122.1170.100000110.6
246T30.4Very low30Very low136 Ų136132.1 Ų132.183%0.83481%0.811SS**  trans-74.9147.1177.9-52.90000111.5
247I31.7Very low29.8Very low161 Ų161132.6 Ų132.683%0.82682%0.818SS**  trans-170.7158.9138.4-96.5149.2000110.2
248T30.8Very low29.7Very low112 Ų112132.1 Ų132.169%0.68782%0.818SS**  trans-75152.3-169.948.30000115.9
249P32.7Very low29.5Very low130 Ų130130 Ų13084%0.84482%0.817SS**  trans-80.4141.1157.534.2-31.5000111.3
250S26.7Very low29.5Very low122 Ų122131 Ų13185%0.85381%0.807SS**  trans-126.6156.8170.7-87.40000110.9
251N28.4Very low29.5Very low162 Ų162128.6 Ų128.687%0.86680%0.801SS**  trans-90.9131-164-175.729.3000114.5
252S31.3Very low29.5Very low116 Ų116133.4 Ų133.481%0.81181%0.808SS**  trans175.2158.3154.351.80000108.5
253G27.6Very low28.7Very low74 Ų74132.6 Ų132.676%0.76381%0.805SS**  cis-175.2132-8.700000107.2
254G28.2Very low28.7Very low81 Ų81129.7 Ų129.784%0.83580%0.799SS**  trans-82.5154.5-165.500000115.2
255F24.9Very low28.5Very low200 Ų200132 Ų13288%0.87780%0.796SS**  trans-149.8148.9157.3-155.7-106.8000110.5
256L33Very low28.3Very low150 Ų150132.9 Ų132.979%0.78579%0.79SS**  trans-105.2136.2170.8-66.4166.1000107.8
257D26.5Very low28Very low155 Ų155137.2 Ų137.283%0.82979%0.791SS**  -171.6175115.8-130.5-43.6000113.3
258C26.7Very low27.7Very low99 Ų99135.5 Ų135.567%0.66979%0.792SS**  trans-105.6178.2-175.4-63.70000113.8
259T26.6Very low27.5Very low125 Ų125135.1 Ų135.177%0.76780%0.8SS**  trans77.6152.2159.886.40000117.2
260H27.1Very low27.1Very low157 Ų157132.2 Ų132.273%0.72779%0.794SS**  cis-158.7147-23.4-129.2-100.1000112.4
261T27.4Very low27.1Very low115 Ų115130.1 Ų130.171%0.70679%0.791SS**  trans28.5134.4149.250.40000124.4
262K26Very low27Very low208 Ų208130.1 Ų130.190%0.90479%0.791SS**  trans-166.2149.2141.2-98.6158.7-172.9173.50107.6
263S24Very low26.7Very low104 Ų104131 Ų13173%0.72779%0.787SS**  cis-162.5165.4-13.7-166.90000109.4
264S28.5Very low26.7Very low109 Ų109135.6 Ų135.676%0.76279%0.786SS**  trans60.1166.4163.167.30000120.9
265Q30.3Very low26.8Very low178 Ų178140 Ų14083%0.83278%0.782SS**  cis-171.4138.9-45.2178.6163.42.400110.5
266S26.1Very low27.1Very low97 Ų97139.3 Ų139.368%0.67878%0.775SS**  trans60.8101.1160.6-161.90000118.2
267R23.7Very low26.7Very low226 Ų226136.6 Ų136.685%0.85377%0.769SS**  85.1127.375.3-80.8-175-170.6-168.25.9115.6
268C25.5Very low26.7Very low126 Ų126134.3 Ų134.385%0.85177%0.765SS**  trans60.6149.1143.2-56.60000118.8
269A26.2Very low26.8Very low104 Ų104132.6 Ų132.686%0.8676%0.764SS**  cis-148.9-177.2-13.300000105.7
270G25Very low26.9Very low69 Ų69136.5 Ų136.571%0.71177%0.766SS**  cis157.71619.300000107.7
271G25.4Very low27Very low77 Ų77139.2 Ų139.279%0.79477%0.77SS**  trans82.7169.2-173.600000114.1
272D27Very low27.2Very low162 Ų162137.3 Ų137.387%0.86677%0.766SS**  cis-159.7-159.2-14.945-76.2000110.7
273D25.4Very low27.3Very low136 Ų136133.3 Ų133.373%0.72775%0.754SS**  trans-67.6163.9-147.2-83.2-49.2000120.7
274F27.4Very low27.6Very low170 Ų170135.9 Ų135.975%0.74676%0.76SS**  trans0.2149148.8-70.7-103.1000120.1
275F30.6Very low28.8Very low172 Ų172135.9 Ų135.975%0.75476%0.757SS**  -174.6130.499.8-114.1-100.4000114.9
276Y30Very low29.4Very low187 Ų187132.4 Ų132.473%0.73375%0.75SS**  trans59.8124.3145-88.3-128.9000120.8
277S25.9Very low29.5Very low92 Ų92132.1 Ų132.164%0.64375%0.748SS**  82.4123.268.2-66.30000112.2
278S26.7Very low29.9Very low108 Ų108129.3 Ų129.376%0.75574%0.744SS**  99.2127.750.9-1750000112.2
279G27.7Very low30.1Very low63 Ų63131.4 Ų131.465%0.64974%0.741SS**  trans99.8167.2160.300000117.5
280Y28.9Very low30.4Very low206 Ų206132.4 Ų132.481%0.80874%0.737SS**  cis-169.2138.9-10.8-117.5-61000110.4
281R30Very low30.6Very low215 Ų215134.3 Ų134.381%0.81174%0.735SS**  trans59.4-179.3156.7-102.2-172-143.1-1068.6115.7D283R281-D283 IonicContact NH1-OD2 3.78Å
282A30Very low30.8Very low74 Ų74137.7 Ų137.761%0.61273%0.734SS**  cis-147.2144.2-11.100000110.6
283D28Very low30.8Very low124 Ų124137 Ų13766%0.66373%0.725SS**  46.4142.5129.2-51.7-50.9000124.1R281R281-D283 IonicContact NH1-OD2 3.78Å
284D30.7Very low30.8Very low159 Ų159139.2 Ų139.285%0.8572%0.724SS**  trans82.6150.3154.4-76.6-35.1000124.3
285P53.3Low30.8Very low108 Ų108141.6 Ų141.670%0.70173%0.728SS**  trans-113.9-153.1-170.748.2-36000110.8
286P43.3Very low30.5Very low105 Ų105138.7 Ų138.768%0.68273%0.728SS**  cis-137.3175.3-9.641.9-24.3000117.2
287S28.7Very low31.3Very low91 Ų91135.2 Ų135.264%0.63673%0.729SS**  trans81.1127.4140.4770000123.5
288H32.9Very low31.6Very low168 Ų168138.9 Ų138.978%0.77873%0.733SS**  trans66.3137.5146.5-57-47.9000124.5
289H28.8Very low31.7Very low169 Ų169139.7 Ų139.778%0.78273%0.725SS**  trans56.1137.1144.279.1-23.4000123.1
290T32.4Very low31.9Very low125 Ų125143.6 Ų143.677%0.76773%0.726SS**  cis-143.5-113.9-21.818.40000110.1
291T29.7Very low31.8Very low110 Ų110142.9 Ų142.968%0.67572%0.722SS**  cis-166149.8-13.1-230000111.3
292L29.3Very low31.7Very low148 Ų148139.2 Ų139.278%0.77572%0.719SS**  trans65.4155.5166.5-61.3174.1000118.5
293Q27.4Very low31.9Very low146 Ų146138.9 Ų138.968%0.68272%0.716SS**  cis-162.8155.7-35.9-154.6-169.491.200111.4
294R25.6Very low32Very low183 Ų183143.4 Ų143.469%0.69173%0.725SS**  trans85.3132.9147.2-103.2-177.9-167.9-76.510.6124.6
295R27Very low32Very low221 Ų221140.7 Ų140.783%0.83472%0.719SS**  trans91.5147.7144.6-73.7-173.1177.5-167.61.2121.8
296S24.6Very low30.9Very low110 Ų110139.9 Ų139.977%0.76972%0.716SS**  trans-123169.7-174.4580000109.8
297P45.7Very low30.2Very low115 Ų115142.8 Ų142.875%0.74772%0.72SS**  -138.4-177.659.735.7-12.8000113.5
298K32.7Very low30.1Very low168 Ų168148.9 Ų148.973%0.7373%0.731SS**  cis66.1140.341-99.7-164.3-179.1-1340113.8
299E29.3Very low30Very low126 Ų126146.6 Ų146.659%0.58973%0.734SS**  cis-160.9-171.6-3.5-142.9164-133.700107
300H32.3Very low31.2Very low144 Ų144143.1 Ų143.167%0.66773%0.726SS**  cis-168.9-177.410-147.7115.9000108.7
301R25.4Very low31.1Very low191 Ų191145.1 Ų145.172%0.72173%0.727SS**  trans102.9134.6134.4-100.9-71.7-177.9157.32125.4
302D28.4Very low31.1Very low139 Ų139145 Ų14574%0.74373%0.726SS**  trans-113.9171.4169-15.5-118.9000113.9
303A34.8Very low32.3Very low67 Ų67143.4 Ų143.455%0.55473%0.725SS**  159.3172.7127.900000116.6
304Y29.7Very low32.5Very low218 Ų218141 Ų14186%0.85572%0.724SS**  trans81.4144.4165.8-62.6-77.5000118.3
305S30.3Very low33Very low103 Ų103140.1 Ų140.172%0.7273%0.727SS**  cis-165.4-173.6-17.2-151.60000108
306S31Very low33.3Very low90 Ų90137.4 Ų137.463%0.62972%0.724SS**  cis-154-150.4-0.7-159.10000107.8
307Q28.1Very low33.6Very low167 Ų167136 Ų13678%0.7872%0.719SS**  cis-154.3-168.21.3-164.783.9-6.100107.8
308Y27.6Very low32.9Very low218 Ų218135.5 Ų135.586%0.85573%0.725SS**  trans-150.6162.2-173.5-95.5-102.6000113.7
309S29.1Very low32.7Very low120 Ų120130.9 Ų130.984%0.83973%0.725SS**  trans-171.8156.9138-84.20000115.1
310P54.3Low32.6Very low97 Ų97132.4 Ų132.463%0.6374%0.737SS**  trans-147.5-163-147.644.2-22.8000118.2
311Q30.1Very low32.4Very low167 Ų167130.9 Ų130.978%0.7874%0.742SS**  trans73.1159.2152.5-80.3-170.4-121.400118.4
312T30.2Very low32.4Very low106 Ų106128.6 Ų128.665%0.6574%0.74SS**  cis-162.6169.9-25.319.20000107.8
313P54.9Low32.6Very low116 Ų116129.3 Ų129.375%0.75374%0.737SS**  cis-100.6-121.6-2.922.20.1000110.6
314S32.2Very low32.2Very low94 Ų94133.3 Ų133.366%0.65775%0.749SS**  cis-173.8158.1-5.724.90000106.7
315Q36Very low32.1Very low165 Ų165133.5 Ų133.577%0.77175%0.748SS**  cis-163172-8.3-120.5-16866.100106.2
316Q32.4Very low31.9Very low165 Ų165133.7 Ų133.777%0.77175%0.749SS**  cis-142.8-77.9-0.6-168.2-168100.900112.5
317A31.3Very low31.6Very low80 Ų80134.6 Ų134.666%0.66176%0.756SS**  trans-162.1158-159.700000112
318A30.7Very low31.6Very low105 Ų105135 Ų13587%0.86876%0.762SS**  cis-169.1173.3-13.200000107.9
319G28.6Very low31.5Very low71 Ų71128.2 Ų128.273%0.73276%0.758SS**  cis167.7-174-4.200000112.9
320N26.9Very low32.1Very low158 Ų158130.2 Ų130.285%0.84576%0.758SS**  trans64120162.6-71.90.9000124.2
321S27.5Very low31.2Very low111 Ų111131.4 Ų131.478%0.77677%0.766SS**  trans70.2158.1133.171.20000122.4
322E26.4Very low31Very low143 Ų143132.7 Ų132.767%0.66877%0.769SS**  cis-163.1151.2-36.3-95.4-143.3134.300110.2
323K33Very low30.9Very low155 Ų155136.4 Ų136.467%0.67478%0.776SS**  trans35.8110.2149.2-57.9164.5-173.5147.10121.5
324N26Very low29.7Very low151 Ų151134.3 Ų134.381%0.80777%0.769SS**  trans-173149.8134.8-93.2-37.2000109.2
325R27.7Very low29.6Very low221 Ų221136.1 Ų136.183%0.83477%0.771SS**  cis75.9103.144.6-87.3-175.7174.7151.9-1.2115.8
326S25.7Very low29.3Very low107 Ų107133.4 Ų133.475%0.74877%0.766SS**  trans29.2127.6145.356.90000119.5
327S25.3Very low29.2Very low110 Ų110132.6 Ų132.677%0.76977%0.766SS**  -179.5170.977.149.90000114.3
328L28.8Very low29Very low176 Ų176133.8 Ų133.892%0.92177%0.765SS**  trans10.4137.7156.3-58.6171.8000121.3
329G24.7Very low28.8Very low74 Ų74137.3 Ų137.376%0.76376%0.761SS**  trans168.3114153.200000116.2
330I42.2Very low28.9Very low163 Ų163142.7 Ų142.784%0.83677%0.767SS**  trans-139.2134.1157-57176.1000107.4
331P34.8Very low28.9Very low122 Ų122146.9 Ų146.979%0.79277%0.771SS**  trans-128.3150.6148.534.9-23.5000113.8
332F25.8Very low28.9Very low193 Ų193145.3 Ų145.385%0.84677%0.772SS**  trans-67.4158.9167.1-92.4-115.5000112.2
333K27.7Very low29Very low184 Ų184142 Ų14280%0.878%0.776SS**  -179.7165.7101.4-99.9-162166.1-143.90115.2
334A31Very low29.6Very low73 Ų73139.3 Ų139.360%0.60378%0.775SS**  trans-114.3-165.6166.900000109.8
335D28.5Very low30.1Very low131 Ų131137.2 Ų137.270%0.70177%0.767SS**  trans104.9146.5178.9-58.6-26.1000114.1
336T29.8Very low30.4Very low109 Ų109129.7 Ų129.767%0.66976%0.758SS**  cis-168.6177.4-23.736.70000109.3
337L30.1Very low31.1Very low148 Ų148128.7 Ų128.778%0.77577%0.765SS**  trans77.9156.4149.1-110.764.2000117.4
338T28.5Very low31.3Very low104 Ų104127.7 Ų127.764%0.63877%0.772SS**  cis-156.4153.913.7-250000114.3
339K26.4Very low31.5Very low179 Ų179123.3 Ų123.378%0.77877%0.77SS**  trans48.6140.1145.3-81.9178.5-175177.20121.2
340H29.1Very low31.9Very low185 Ų185126.5 Ų126.586%0.85678%0.778SS**  -143.7-175.964-115.2-102.9000115.3
341R28.3Very low31.4Very low245 Ų245121.8 Ų121.893%0.92577%0.77SS**  trans-148.5144.7-161.1-170.6-171.3-162.2-1257.5115.3
342G26.8Very low31.4Very low79 Ų79123.3 Ų123.381%0.81477%0.772SS**  trans115148161.700000115.1
343G29.5Very low32Very low72 Ų72120.3 Ų120.374%0.74276%0.763SS**  cis-177.5161.1-7.600000112.2
344P44.7Very low32.5Very low100 Ų100116.6 Ų116.665%0.64975%0.752SS**  trans-138.8-176.2-156.336.8-14.5000120
345V37.7Very low32.9Very low106 Ų106120.2 Ų120.264%0.64276%0.755SS**  trans85.6132.6155.7-171.50000122.6G363V345-G363 WeakPolarHBondContact O-CA 3.25Å
346G33Very low33.2Very low63 Ų63122 Ų12265%0.64976%0.759SS**  trans139.1146.3150.300000116.5
347G40.2Very low33.2Very low86 Ų86121.9 Ų121.989%0.88776%0.758SS**  cis156.9156.2-9.100000115.1
348G29.7Very low33.2Very low89 Ų89122.6 Ų122.692%0.91876%0.762SS**  trans107.7145.3168.900000116.1
349G32.5Very low33.4Very low85 Ų85121 Ų12188%0.87677%0.767SS**  cis-154.8-175.6-600000109
350C34.1Very low33.9Very low140 Ų140118.5 Ų118.595%0.94677%0.771SS**  cis-161.9163.619.4-1750000110.5
351G31Very low34.3Very low64 Ų64113.6 Ų113.666%0.6676%0.763SS**  trans87.6110.5175.300000113.5
352D34.8Very low34.7Very low155 Ų155107.4 Ų107.483%0.82975%0.753SS**  cis70.3129.745.2-148.954.8000111.9
353L39Very low35Very low129 Ų129105.8 Ų105.868%0.67574%0.736SS**  cis-138.4146.96.9-174.165.2000106.1
354D38Very low35.3Very low106 Ų106105 Ų10557%0.56773%0.728SS**  cis-152.7175.719.2-137.9-11.1000107.8
355K39Very low35.4Very low150 Ų150111.2 Ų111.265%0.65274%0.738SS**  cis-157.5169.5-6.3-156.9158.9-144.472.20108
356Q34.3Very low36Very low168 Ų168114.9 Ų114.979%0.78575%0.746SS**  trans65169.6163.7-71.4-14680.900116.1
357T30.3Very low36.2Very low106 Ų106121.5 Ų121.565%0.6576%0.757SS**  cis-162.7131.8-33.3-91.60000107.4
358L30.4Very low35.9Very low163 Ų163120.9 Ų120.985%0.85375%0.751SS**  cis-15668.3-14.8-175.860000110.4
359G33.4Very low36.8Very low72 Ų72125.3 Ų125.374%0.74275%0.752SS**  trans87.2174.6172.400000116.1
360S36.1Very low37.3Very low125 Ų125130.5 Ų130.587%0.87475%0.751SS**  cis-176.1174-1.3-96.60000108.6
361A37.9Very low37.4Very low83 Ų83130.2 Ų130.269%0.68674%0.739SS**  cis-178.7-165.9-19.500000106.7
362T35.7Very low37.8Very low115 Ų115135.4 Ų135.471%0.70674%0.744SS**  -150.8166.1-71.538.70000107.7
363G34.5Very low38.3Very low45 Ų45139.5 Ų139.546%0.46475%0.747SS.*  cis170.5159.8-3.800000116.4V345V345-G363 WeakPolarHBondContact O-CA 3.25Å
364G35.2Very low38.1Very low56 Ų56140.3 Ų140.358%0.57775%0.752SS**  trans80.5-166.9171.100000117.2
365R46.2Very low37.9Very low230 Ų230139.6 Ų139.687%0.86876%0.755SS**  cis-155121.42.8-58.1178.6-64.4-165.81.7113.3
366K51.2Low38.1Very low182 Ų182142.9 Ų142.979%0.79177%0.77SS**  trans67147.9159.1-56.4-176.1-179-176.70119
367F36.3Very low38Very low203 Ų203143.9 Ų143.989%0.8977%0.771SS**  cis-108.9-145.88.3-62.1-95.4000111.4
368G34.4Very low38.2Very low73 Ų73147 Ų14775%0.75378%0.776SS**  cis102.4141.56.100000113.3
369L47.6Very low38.1Very low182 Ų182144.2 Ų144.295%0.95376%0.762SS**  cis-112.7175.74.5-79.2167.3000113.3
370K44.3Very low37.9Very low193 Ų193150.2 Ų150.284%0.83977%0.768SS**  trans-104.6172.5174.7-59.3176.9176.5175.70110.5
371L36.9Very low38Very low135 Ų135150.8 Ų150.871%0.70777%0.766SS**  -176.1150.385.1-88.4175000115.1
372F38.9Very low38.2Very low172 Ų172155.9 Ų155.975%0.75477%0.773SS**  trans60.2123.2159.4-57.9-53.5000124.2L374F372-L374 HydrophobicContact CB-CD1 4.49Å; F372-L374 HydrophobicContact CD1-CD1 4.47Å
373R45.3Very low38.1Very low241 Ų241159.7 Ų159.791%0.90978%0.783SS**  trans-87136.1142.2-69.2172169171.1-5.9109.1
374L35Very low38.2Very low147 Ų147165.2 Ų165.277%0.7780%0.8SS**  trans-169.6153.7156.7-88.1124000106.7F372F372-L374 HydrophobicContact CB-CD1 4.49Å; F372-L374 HydrophobicContact CD1-CD1 4.47Å
375S33.4Very low38.1Very low90 Ų90166.6 Ų166.663%0.62981%0.806SS**  cis-173.5142.1-26.651.10000108.6K377S375-K377 PolarHBondContact O-N 3.23Å
376F43.8Very low37.8Very low219 Ų219161.6 Ų161.696%0.96180%0.802SS**  trans-75.2110.2175.7-86.2-84.5000112.9
377K30.4Very low36.8Very low189 Ų189162.5 Ų162.582%0.82281%0.806SS**  trans-148.2131.5154-72.3-159.7178.5-177.70107.7S375S375-K377 PolarHBondContact O-N 3.23Å
378K35.4Very low36.7Very low171 Ų171156.5 Ų156.574%0.74379%0.789SS**  72.6115.954.6-168.5100.4-179.3136.50109.7
379D28.3Very low37.4Very low105 Ų105157.5 Ų157.556%0.56179%0.791SS**  cis-164.8-1784.1-106.82.7000109
380K30.1Very low37Very low198 Ų198157 Ų15786%0.86178%0.783SS**  trans79.2150.2159.8-36.7-178.2-167.4173.50114.9
381T37.4Very low37.1Very low137 Ų137156.2 Ų156.284%0.8478%0.78SS**  cis-117.6159.47.840.60000113.8
382K42.9Very low37.8Very low190 Ų190154.8 Ų154.883%0.82678%0.779SS**  trans-84.9151.3172.1-52.3174.5-177.7-179.60110
383Q31.9Very low38Very low196 Ų196152.1 Ų152.192%0.91678%0.779SS**  trans-140.2130.2132.9-122.5171-3.500109.1
384L37.6Very low38.2Very low160 Ų160150 Ų15084%0.83878%0.779SS**  trans-82.8115.1167.5-75.7146.6000106.1
385A32.7Very low38.7Very low85 Ų85151 Ų15170%0.70278%0.78SS**  trans-100.2109.7165.500000107.2F387A385-F387 PolarHBondContact O-N 3.47Å; A385-F387 VanDerWaalsContact O-N 3.12Å
386T39.6Very low39.4Very low126 Ų126157.5 Ų157.577%0.77379%0.791SS**  trans-64.6108.6-179.6-47.70000109.5S388T386-S388 PolarHBondContact O-N 3.32Å
387F31.8Very low39.4Very low200 Ų200152 Ų15288%0.87778%0.777SS**  trans-7782.9158.2-91.7-82.8000108.3A385A385-F387 PolarHBondContact O-N 3.47Å; A385-F387 VanDerWaalsContact O-N 3.12Å
388S33.3Very low40.4Very low77 Ų77151 Ų15154%0.53878%0.78SS.*  trans-52.6153.5152.245.20000109.3T386 Q390T386-S388 PolarHBondContact O-N 3.32Å; S388-Q390 PolarHBondContact O-N 3.25Å
389A49.5Very low40.7Very low95 Ų95150.5 Ų150.579%0.78578%0.78SS**  trans-56.1113.816700000108.7
390Q38.6Very low41.4Very low171 Ų171152.2 Ų152.280%0.79979%0.789SS**  trans-110.5125162.3-165.8150.313.500105.8S388S388-Q390 PolarHBondContact O-N 3.25Å
391F46.7Very low42.4Very low177 Ų177151.7 Ų151.778%0.77679%0.79SS**PPolyproline II helixtrans-61.6164.3-166.7-69.8-100.3000111.6
392P51.7Low43Very low104 Ų104153.9 Ų153.968%0.67579%0.791SS**SBendtrans-46.7145.1157.3-22.633.9000109.4E394P392-E394 PolarHBondContact O-N 3.19Å
393P42.8Very low43.5Very low116 Ų116153.3 Ų153.375%0.75379%0.791SS**PPolyproline II helixtrans-51.7128.318021.9-32.9000109.7E395P393-E395 PolarHBondContact O-N 2.99Å
394E49.6Very low44.3Very low197 Ų197149.7 Ų149.792%0.92178%0.784SS**SBendtrans-63.9-22-159.8-156.7159.3174.100113P392P392-E394 PolarHBondContact O-N 3.19Å
395E44.5Very low44.8Very low168 Ų168148.8 Ų148.879%0.78578%0.78SS**  trans-121.5117174.1-66169-168.700109.3P393P393-E395 PolarHBondContact O-N 2.99Å
396W49Very low45.8Very low227 Ų227152.9 Ų152.986%0.8679%0.785SS**  trans-61.7142.3147.6-76.992.8000107.4L398W396-L398 PolarHBondContact O-N 2.69Å
397P44Very low46.8Very low103 Ų103153.1 Ų153.167%0.66978%0.78SS**  trans-58.5100.5169.7-2434.6000110H399P397-H399 VanDerWaalsContact C-N 3.3Å; P397-H399 PolarHBondContact O-N 3.49Å
398L51.3Low48.8Very low167 Ų167146.6 Ų146.687%0.87476%0.758SS**  trans-67.196.3165.7-69.7174.4000106.3W396W396-L398 PolarHBondContact O-N 2.69Å
399H40.7Very low49.7Very low162 Ų162151.8 Ų151.875%0.7577%0.766SS**  trans-111.7143.8167.7-86.2-52.7000109.6P397P397-H399 VanDerWaalsContact C-N 3.3Å; P397-H399 PolarHBondContact O-N 3.49Å
400D43.2Very low50.5Low140 Ų140153.7 Ų153.775%0.74976%0.758SS**  trans-75.1157-146.5-50.4-98.1000113.2E402D400-E402 VanDerWaalsContact C-N 3.26Å; D400-E402 PolarHBondContact O-N 2.83Å
401E51.5Low52Low188 Ų188148 Ų14888%0.87974%0.735SS**THydrogen-bonded Turntrans-7370.3-176.2-66.2-141.5153.900112.9
402E50.9Low53.5Low183 Ų183143.9 Ų143.986%0.85572%0.718SS**THydrogen-bonded Turntrans-142-19.2171.8-123.9172.4-170.300117.3D400D400-E402 VanDerWaalsContact C-N 3.26Å; D400-E402 PolarHBondContact O-N 2.83Å
403E52.6Low53.9Low177 Ų177143.6 Ų143.683%0.82771%0.709SS**  trans-129.389.8175.9-73.4-154.1142.700115.2N405E403-N405 PolarHBondContact O-N 2.78Å; E403-N405 VanDerWaalsContact O-N 3.16Å
404P49.6Very low55.1Low121 Ų121140.8 Ų140.879%0.78669%0.686SS**THydrogen-bonded Turntrans-90.535.5-164.936.7-39.1000116
405N47Very low56.1Low140 Ų140135.2 Ų135.275%0.74966%0.662SS**THydrogen-bonded Turntrans-145.16.6-171.1-98.3-67.7000119.7E403E403-N405 PolarHBondContact O-N 2.78Å; E403-N405 VanDerWaalsContact O-N 3.16Å
406H53.1Low57.1Low172 Ų172131.1 Ų131.180%0.79664%0.644SS**  trans-126.475.7-178.9-76-33.2000115.2P408H406-P408 WeakPolarHBondContact O-CD 3.05Å
407L62.1Low57.8Low130 Ų130125.2 Ų125.268%0.68162%0.622SS**  trans-53.2123.3155-87.7166000109.6R409L407-R409 PolarHBondContact O-N 2.27Å
408P72.3Confident58.9Low64 Ų64129.3 Ų129.342%0.41662%0.624SS.*  trans-61.7130.5179.8-25.135.1000111.3H406 H410 V411 E412H406-P408 WeakPolarHBondContact O-CD 3.05Å; P408-H410 VanDerWaalsContact CB-CE1 3.45Å; P408-H410 WeakPolarHBondContact CB-CE1 3.38Å; P408-H410 PolarHBondContact O-N 3.23Å; P408-V411 HydrophobicContact CB-CG2 4.29Å; P408-V411 WeakPolarHBondContact O-CA 3.5Å; P408-V411 WeakPolarHBondContact O-CB 3.43Å; P408-V411 PolarHBondContact O-N 2.94Å; P408-E412 PolarHBondContact O-N 2.97Å
409R53.4Low59.5Low185 Ų185127.7 Ų127.770%0.69862%0.615SS**Hα-helixtrans-54.2-26.1-174.6179.8166.8-69.8178.43.5114.5L407 M413L407-R409 PolarHBondContact O-N 2.27Å; R409-M413 HydrophobicContact CG-CG 4.24Å; R409-M413 HydrophobicContact CG-SD 3.79Å; R409-M413 VanDerWaalsContact O-CB 3.27Å; R409-M413 WeakPolarHBondContact O-CB 3.45Å; R409-M413 VanDerWaalsContact O-CG 3.28Å; R409-M413 WeakPolarHBondContact O-CG 3.43Å; R409-M413 PolarHBondContact O-N 3.22Å
410H65.5Low60.1Low135 Ų135123.3 Ų123.363%0.62560%0.597SS**Hα-helixtrans-69-36.5174.567-99.4000112.4P408 E414P408-H410 VanDerWaalsContact CB-CE1 3.45Å; P408-H410 WeakPolarHBondContact CB-CE1 3.38Å; P408-H410 PolarHBondContact O-N 3.23Å; H410-E414 WeakPolarHBondContact O-CB 3.48Å; H410-E414 PolarHBondContact O-N 3.03Å
411V70.5Confident60.9Low53 Ų53120.9 Ų120.932%0.32159%0.589SS.*Hα-helixtrans-69.7-46.1174.2-176.60000110.2P408 M413 E414 I415P408-V411 HydrophobicContact CB-CG2 4.29Å; P408-V411 WeakPolarHBondContact O-CA 3.5Å; P408-V411 WeakPolarHBondContact O-CB 3.43Å; P408-V411 PolarHBondContact O-N 2.94Å; V411-M413 PolarHBondContact O-N 3.37Å; V411-E414 WeakPolarHBondContact O-CB 3.07Å; V411-E414 PolarHBondContact O-N 3.25Å; V411-I415 HydrophobicContact CG1-CD1 3.82Å; V411-I415 HydrophobicContact CG1-CG1 4.38Å; V411-I415 WeakPolarHBondContact O-CG1 3.31Å; V411-I415 PolarHBondContact O-N 2.94Å
412E77.7Confident61.1Low89 Ų89117.9 Ų117.942%0.41658%0.579SS.*Hα-helixtrans-52.7-52.1172.9-178.3-167.9-163.500111.3P408 E414 I415 I416P408-E412 PolarHBondContact O-N 2.97Å; E412-E414 PolarHBondContact O-N 2.91Å; E412-I415 PolarHBondContact O-N 3.12Å; E412-I416 HydrophobicContact CG-CD1 4Å; E412-I416 VanDerWaalsContact O-CG1 3.3Å; E412-I416 WeakPolarHBondContact O-CG1 3.46Å; E412-I416 PolarHBondContact O-N 3.45Å
413M60.6Low61.4Low98 Ų98113.6 Ų113.648%0.48356%0.561SS.*Hα-helixtrans-67.9-17.8177.4-76.4172.540.900114.3R409 V411 R417R409-M413 HydrophobicContact CG-CG 4.24Å; R409-M413 HydrophobicContact CG-SD 3.79Å; R409-M413 VanDerWaalsContact O-CB 3.27Å; R409-M413 WeakPolarHBondContact O-CB 3.45Å; R409-M413 VanDerWaalsContact O-CG 3.28Å; R409-M413 WeakPolarHBondContact O-CG 3.43Å; R409-M413 PolarHBondContact O-N 3.22Å; V411-M413 PolarHBondContact O-N 3.37Å; M413-R417 WeakPolarHBondContact O-CB 3.44Å; M413-R417 PolarHBondContact O-NH2 3.04Å
414E68.5Low62Low57 Ų57107.3 Ų107.327%0.26654%0.535SS..Hα-helixtrans-84.3-43.2173.9-163.464.6-147.500110.9H410 V411 E412 R417 R418H410-E414 WeakPolarHBondContact O-CB 3.48Å; H410-E414 PolarHBondContact O-N 3.03Å; V411-E414 WeakPolarHBondContact O-CB 3.07Å; V411-E414 PolarHBondContact O-N 3.25Å; E412-E414 PolarHBondContact O-N 2.91Å; E414-R417 VanDerWaalsContact CD-NH1 3.3Å; E414-R417 PolarHBondContact O-N 3.41Å; E414-R417 IonicContact OE1-NH1 3.77Å; E414-R417 PolarHBondContact OE1-NH1 3.03Å; E414-R417 IonicContact OE2-CZ 3.01Å; E414-R417 IonicContact OE2-NH1 3.79Å; E414-R417 PolarHBondContact OE2-NH1 2.87Å; E414-R417 IonicContact OE2-NH2 2.72Å; E414-R417 PolarHBondContact OE2-NH2 2.97Å; E414-R418 VanDerWaalsContact CG-CZ 3.49Å; E414-R418 WeakPolarHBondContact O-CG 3.17Å; E414-R418 PolarHBondContact O-N 3.16Å; E414-R418 IonicContact OE1-CZ 3.94Å; E414-R418 IonicContact OE1-NE 2.69Å; E414-R418 PolarHBondContact OE1-NE 3.16Å; E414-R418 IonicContact OE1-NH2 3.26Å; E414-R418 PolarHBondContact OE1-NH2 3.36Å
415I69.9Low62.7Low81 Ų81107.3 Ų107.342%0.41553%0.532SS..Hα-helixtrans-58.8-51173.8-69.5166.5000110.2V411 E412 R417 R418 I419V411-I415 HydrophobicContact CG1-CD1 3.82Å; V411-I415 HydrophobicContact CG1-CG1 4.38Å; V411-I415 WeakPolarHBondContact O-CG1 3.31Å; V411-I415 PolarHBondContact O-N 2.94Å; E412-I415 PolarHBondContact O-N 3.12Å; I415-R417 VanDerWaalsContact C-N 3.28Å; I415-R417 PolarHBondContact O-N 3.28Å; I415-R418 PolarHBondContact O-N 2.84Å; I415-R418 VanDerWaalsContact O-N 3.14Å; I415-I419 HydrophobicContact CG2-CD1 3.57Å; I415-I419 HydrophobicContact CG2-CG1 4.31Å; I415-I419 WeakPolarHBondContact O-CG1 3.29Å; I415-I419 PolarHBondContact O-N 3.09Å
416I65.3Low63.4Low81 Ų81107.1 Ų107.142%0.41553%0.527SS..Hα-helixtrans-56.6-42.9178.1-68.8166.1000111.2E412 R418 N420E412-I416 HydrophobicContact CG-CD1 4Å; E412-I416 VanDerWaalsContact O-CG1 3.3Å; E412-I416 WeakPolarHBondContact O-CG1 3.46Å; E412-I416 PolarHBondContact O-N 3.45Å; I416-R418 VanDerWaalsContact C-N 3.33Å; I416-R418 PolarHBondContact O-N 2.99Å; I416-N420 PolarHBondContact O-N 3.02Å
417R64.8Low64Low104 Ų104100.6 Ų100.639%0.39250%0.498SS..Hα-helixtrans-73.8-22.1-177.9-154.3-171.7-36.8120.622.9113.5M413 E414 I415 P421M413-R417 WeakPolarHBondContact O-CB 3.44Å; M413-R417 PolarHBondContact O-NH2 3.04Å; E414-R417 VanDerWaalsContact CD-NH1 3.3Å; E414-R417 PolarHBondContact O-N 3.41Å; E414-R417 IonicContact OE1-NH1 3.77Å; E414-R417 PolarHBondContact OE1-NH1 3.03Å; E414-R417 IonicContact OE2-CZ 3.01Å; E414-R417 IonicContact OE2-NH1 3.79Å; E414-R417 PolarHBondContact OE2-NH1 2.87Å; E414-R417 IonicContact OE2-NH2 2.72Å; E414-R417 PolarHBondContact OE2-NH2 2.97Å; I415-R417 VanDerWaalsContact C-N 3.28Å; I415-R417 PolarHBondContact O-N 3.28Å; R417-P421 WeakPolarHBondContact O-CA 3.49Å
418R66.1Low64.6Low189 Ų18999 Ų9971%0.71349%0.489SS*.Hα-helixtrans-89.2-34.2175.4-71176.8-171179.33.2112.6E414 I415 I416E414-R418 VanDerWaalsContact CG-CZ 3.49Å; E414-R418 WeakPolarHBondContact O-CG 3.17Å; E414-R418 PolarHBondContact O-N 3.16Å; E414-R418 IonicContact OE1-CZ 3.94Å; E414-R418 IonicContact OE1-NE 2.69Å; E414-R418 PolarHBondContact OE1-NE 3.16Å; E414-R418 IonicContact OE1-NH2 3.26Å; E414-R418 PolarHBondContact OE1-NH2 3.36Å; I415-R418 PolarHBondContact O-N 2.84Å; I415-R418 VanDerWaalsContact O-N 3.14Å; I416-R418 VanDerWaalsContact C-N 3.33Å; I416-R418 PolarHBondContact O-N 2.99Å
419I64.7Low64.8Low133 Ų13398.5 Ų98.568%0.68249%0.491SS*.Hα-helixtrans-69-37.5172.6-68.4174000110.9I415I415-I419 HydrophobicContact CG2-CD1 3.57Å; I415-I419 HydrophobicContact CG2-CG1 4.31Å; I415-I419 WeakPolarHBondContact O-CG1 3.29Å; I415-I419 PolarHBondContact O-N 3.09Å
420N53.7Low65.7Low70 Ų7095.8 Ų95.837%0.37448%0.481SS..  trans-147.188.4-178.4-156.3-27.7000111.6I416 D422 L423I416-N420 PolarHBondContact O-N 3.02Å; N420-D422 PolarHBondContact O-N 2.67Å; N420-L423 HydrophobicContact CB-CB 3.8Å; N420-L423 WeakPolarHBondContact O-CB 3.45Å; N420-L423 PolarHBondContact O-N 2.69Å
421P59.1Low66.1Low88 Ų8894.6 Ų94.657%0.57148%0.475SS*.G310 helixtrans-65-26.2-173.625.6-34.6000113.3R417 L423 T424R417-P421 WeakPolarHBondContact O-CA 3.49Å; P421-L423 VanDerWaalsContact C-N 3.27Å; P421-L423 PolarHBondContact O-N 3.01Å; P421-T424 WeakPolarHBondContact O-CG2 3.49Å
422D55.6Low66.7Low125 Ų12595.8 Ų95.867%0.66848%0.483SS*.G310 helixtrans-82.21.7174.2-80.4-43.5000113.9N420 N427N420-D422 PolarHBondContact O-N 2.67Å; D422-N427 VanDerWaalsContact C-ND2 3.33Å; D422-N427 WeakPolarHBondContact CA-ND2 3.49Å; D422-N427 WeakPolarHBondContact O-CB 3.13Å; D422-N427 PolarHBondContact O-ND2 3.49Å
423L57.2Low66.9Low94 Ų9494.4 Ų94.449%0.49249%0.487SS..G310 helixtrans-105.533.3178.4-150.580.6000113.4N420 P421N420-L423 HydrophobicContact CB-CB 3.8Å; N420-L423 WeakPolarHBondContact O-CB 3.45Å; N420-L423 PolarHBondContact O-N 2.69Å; P421-L423 VanDerWaalsContact C-N 3.27Å; P421-L423 PolarHBondContact O-N 3.01Å
424T65.9Low67.9Low44 Ų4493.9 Ų93.927%0.2749%0.489SS..  trans-58.4155.6171.376.50000111.4P421 E426 N427 L428P421-T424 WeakPolarHBondContact O-CG2 3.49Å; T424-E426 PolarHBondContact O-N 2.72Å; T424-E426 VanDerWaalsContact O-N 3.13Å; T424-E426 PolarHBondContact OG1-N 2.7Å; T424-N427 PolarHBondContact O-N 2.99Å; T424-N427 VanDerWaalsContact OG1-CG 3.23Å; T424-N427 PolarHBondContact OG1-N 2.75Å; T424-N427 PolarHBondContact OG1-OD1 2.9Å; T424-L428 PolarHBondContact O-N 2.84Å
425V63Low68.5Low121 Ų12196 Ų9673%0.73350%0.5SS*.Hα-helixtrans-53.4-34.9173.5179.30000111.3A429V425-A429 VanDerWaalsContact O-CB 3.3Å; V425-A429 WeakPolarHBondContact O-CB 3.42Å; V425-A429 PolarHBondContact O-N 3.05Å
426E61.7Low69.3Low137 Ų13799.4 Ų99.464%0.6451%0.512SS*.Hα-helixtrans-73.8-36.8177.6-158.6176.7179.300112.3T424 A429 R430T424-E426 PolarHBondContact O-N 2.72Å; T424-E426 VanDerWaalsContact O-N 3.13Å; T424-E426 PolarHBondContact OG1-N 2.7Å; E426-A429 PolarHBondContact O-N 3.31Å; E426-R430 VanDerWaalsContact O-CG 3.31Å; E426-R430 WeakPolarHBondContact O-CG 3.48Å; E426-R430 PolarHBondContact O-N 2.76Å; E426-R430 PolarHBondContact O-NH1 3.32Å
427N67.3Low70.3Confident35 Ų35104.7 Ų104.719%0.18753%0.527CS..Hα-helixtrans-66.2-41.9173.3-68.821.1000110.8D422 T424 R430 H431D422-N427 VanDerWaalsContact C-ND2 3.33Å; D422-N427 WeakPolarHBondContact CA-ND2 3.49Å; D422-N427 WeakPolarHBondContact O-CB 3.13Å; D422-N427 PolarHBondContact O-ND2 3.49Å; T424-N427 PolarHBondContact O-N 2.99Å; T424-N427 VanDerWaalsContact OG1-CG 3.23Å; T424-N427 PolarHBondContact OG1-N 2.75Å; T424-N427 PolarHBondContact OG1-OD1 2.9Å; N427-R430 VanDerWaalsContact CG-NH2 3.25Å; N427-R430 PolarHBondContact O-N 2.73Å; N427-R430 VanDerWaalsContact OD1-CZ 3.24Å; N427-R430 PolarHBondContact OD1-NH1 3.08Å; N427-R430 PolarHBondContact OD1-NH2 3.2Å; N427-H431 WeakPolarHBondContact O-CB 3.43Å; N427-H431 PolarHBondContact O-N 2.82Å
428L73.9Confident71.2Confident95 Ų95103.2 Ų103.250%0.49753%0.526SS..Hα-helixtrans-62.9-40.4172.8-179.461.8000111.9T424 H431 T432T424-L428 PolarHBondContact O-N 2.84Å; L428-H431 PolarHBondContact O-N 3.04Å; L428-T432 VanDerWaalsContact O-CB 3.32Å; L428-T432 WeakPolarHBondContact O-CB 3.31Å; L428-T432 PolarHBondContact O-N 3.21Å; L428-T432 PolarHBondContact O-OG1 3.24Å
429A76.1Confident72Confident55 Ų55100.6 Ų100.646%0.45552%0.522SS..Hα-helixtrans-64.8-42.7174.200000111.9V425 E426 T432 A433V425-A429 VanDerWaalsContact O-CB 3.3Å; V425-A429 WeakPolarHBondContact O-CB 3.42Å; V425-A429 PolarHBondContact O-N 3.05Å; E426-A429 PolarHBondContact O-N 3.31Å; A429-T432 PolarHBondContact O-N 3.06Å; A429-A433 WeakPolarHBondContact O-CB 3.29Å; A429-A433 PolarHBondContact O-N 2.8Å
430R72.7Confident72.9Confident128 Ų12899.3 Ų99.348%0.48351%0.513SS..Hα-helixtrans-64.1-43.4174.7-70-166.6-45.5-81.55.7111.7E426 N427 A433 V434E426-R430 VanDerWaalsContact O-CG 3.31Å; E426-R430 WeakPolarHBondContact O-CG 3.48Å; E426-R430 PolarHBondContact O-N 2.76Å; E426-R430 PolarHBondContact O-NH1 3.32Å; N427-R430 VanDerWaalsContact CG-NH2 3.25Å; N427-R430 PolarHBondContact O-N 2.73Å; N427-R430 VanDerWaalsContact OD1-CZ 3.24Å; N427-R430 PolarHBondContact OD1-NH1 3.08Å; N427-R430 PolarHBondContact OD1-NH2 3.2Å; R430-A433 PolarHBondContact O-N 3.16Å; R430-V434 WeakPolarHBondContact O-CG2 3.47Å; R430-V434 PolarHBondContact O-N 2.8Å
431H73.4Confident74.2Confident109 Ų109101.2 Ų101.251%0.50552%0.52SS..Hα-helixtrans-60.8-45.6173.9-179.4-107.2000111.8N427 L428 A433 V434 M435N427-H431 WeakPolarHBondContact O-CB 3.43Å; N427-H431 PolarHBondContact O-N 2.82Å; L428-H431 PolarHBondContact O-N 3.04Å; H431-A433 VanDerWaalsContact C-N 3.33Å; H431-A433 PolarHBondContact O-N 3.07Å; H431-V434 PolarHBondContact O-N 2.98Å; H431-V434 VanDerWaalsContact O-N 3.17Å; H431-M435 WeakPolarHBondContact O-CG 3.35Å; H431-M435 PolarHBondContact O-N 2.89Å
432T83.9Confident75.2Confident78 Ų78105.4 Ų105.448%0.47952%0.524SS..Hα-helixtrans-61.3-40.2176.4-57.10000111.8L428 A429 M435 K436L428-T432 VanDerWaalsContact O-CB 3.32Å; L428-T432 WeakPolarHBondContact O-CB 3.31Å; L428-T432 PolarHBondContact O-N 3.21Å; L428-T432 PolarHBondContact O-OG1 3.24Å; A429-T432 PolarHBondContact O-N 3.06Å; T432-M435 PolarHBondContact O-N 2.98Å; T432-K436 VanDerWaalsContact O-CB 3.25Å; T432-K436 WeakPolarHBondContact O-CB 3.41Å; T432-K436 PolarHBondContact O-N 2.85Å
433A81.4Confident76.2Confident60 Ų60101.9 Ų101.950%0.49651%0.507SS..Hα-helixtrans-66.3-38.9174.400000112.6A429 R430 H431 R437A429-A433 WeakPolarHBondContact O-CB 3.29Å; A429-A433 PolarHBondContact O-N 2.8Å; R430-A433 PolarHBondContact O-N 3.16Å; H431-A433 VanDerWaalsContact C-N 3.33Å; H431-A433 PolarHBondContact O-N 3.07Å; A433-R437 WeakPolarHBondContact O-CB 3.37Å; A433-R437 PolarHBondContact O-N 3.14Å
434V82Confident76.7Confident88 Ų88102.7 Ų102.753%0.53351%0.508SS..Hα-helixtrans-64.5-47.2173.9167.70000111.1R430 H431 R437 L438R430-V434 WeakPolarHBondContact O-CG2 3.47Å; R430-V434 PolarHBondContact O-N 2.8Å; H431-V434 PolarHBondContact O-N 2.98Å; H431-V434 VanDerWaalsContact O-N 3.17Å; V434-R437 PolarHBondContact O-N 3.02Å; V434-L438 WeakPolarHBondContact O-CB 3.39Å; V434-L438 PolarHBondContact O-N 3.03Å
435M81.7Confident76.5Confident100 Ų100109.5 Ų109.549%0.49353%0.529SS..Hα-helixtrans-63-44.4178.1-72-63-75.200111.9H431 T432 R437 L438 E439H431-M435 WeakPolarHBondContact O-CG 3.35Å; H431-M435 PolarHBondContact O-N 2.89Å; T432-M435 PolarHBondContact O-N 2.98Å; M435-R437 VanDerWaalsContact C-N 3.34Å; M435-R437 PolarHBondContact O-N 3.33Å; M435-L438 PolarHBondContact O-N 3.5Å; M435-E439 PolarHBondContact O-N 3.31Å
436K84.9Confident76.3Confident154 Ų154107.2 Ų107.267%0.6752%0.518SS*.Hα-helixtrans-61.6-40.4174.3-173.9176.4-178.7178.40112.2T432 E439 E440T432-K436 VanDerWaalsContact O-CB 3.25Å; T432-K436 WeakPolarHBondContact O-CB 3.41Å; T432-K436 PolarHBondContact O-N 2.85Å; K436-E439 PolarHBondContact O-N 3.23Å; K436-E440 WeakPolarHBondContact O-CB 3.3Å; K436-E440 PolarHBondContact O-N 3.29Å
437R86.4Confident76.3Confident192 Ų192107.2 Ų107.273%0.72552%0.516SS*.Hα-helixtrans-67.1-38.4175.7-178.5177.3177.7173.7-0.4112.3A433 V434 M435 E440 E441A433-R437 WeakPolarHBondContact O-CB 3.37Å; A433-R437 PolarHBondContact O-N 3.14Å; V434-R437 PolarHBondContact O-N 3.02Å; M435-R437 VanDerWaalsContact C-N 3.34Å; M435-R437 PolarHBondContact O-N 3.33Å; R437-E440 PolarHBondContact O-N 2.96Å; R437-E441 WeakPolarHBondContact O-CB 3.35Å; R437-E441 PolarHBondContact O-N 3.38Å
438L83.8Confident75.7Confident72 Ų72108.7 Ų108.738%0.37753%0.534SS..Hα-helixtrans-69.8-38.2177.1-172.9152.7000111.4V434 M435 R442V434-L438 WeakPolarHBondContact O-CB 3.39Å; V434-L438 PolarHBondContact O-N 3.03Å; M435-L438 PolarHBondContact O-N 3.5Å; L438-R442 HydrophobicContact CD2-CG 4.36Å; L438-R442 WeakPolarHBondContact O-CG 3.41Å; L438-R442 PolarHBondContact O-N 3.04Å
439E84.2Confident74.5Confident134 Ų134107 Ų10763%0.62653%0.53SS*.Hα-helixtrans-66.2-44.9170.6-179158.2-10700111.7M435 K436 E441 R442 T443M435-E439 PolarHBondContact O-N 3.31Å; K436-E439 PolarHBondContact O-N 3.23Å; E439-E441 VanDerWaalsContact C-N 3.33Å; E439-E441 PolarHBondContact O-N 3Å; E439-R442 CarbonylContact O-C 3.6Å; E439-R442 WeakPolarHBondContact O-CA 3.38Å; E439-R442 WeakPolarHBondContact O-CB 3.48Å; E439-R442 PolarHBondContact O-N 3.04Å; E439-R442 VanDerWaalsContact O-N 3.1Å; E439-T443 WeakPolarHBondContact O-CG2 3.3Å; E439-T443 PolarHBondContact O-N 3.45Å
440E82.4Confident73Confident107 Ų107108.3 Ų108.350%0.554%0.535SS..Hα-helixtrans-58.5-45.6175.2-172.2174.1-176.800111.1K436 R437 R442 T443 Q444K436-E440 WeakPolarHBondContact O-CB 3.3Å; K436-E440 PolarHBondContact O-N 3.29Å; R437-E440 PolarHBondContact O-N 2.96Å; E440-R442 PolarHBondContact O-N 3.29Å; E440-T443 CarbonylContact O-C 3.42Å; E440-T443 PolarHBondContact O-N 2.98Å; E440-T443 PolarHBondContact O-OG1 3.17Å; E440-Q444 WeakPolarHBondContact O-CG 3.43Å; E440-Q444 PolarHBondContact O-N 2.98Å; E440-Q444 PolarHBondContact OE1-NE2 3.46Å
441E80.6Confident71.6Confident110 Ų110105.8 Ų105.851%0.51454%0.542SS..Hα-helixtrans-57.7-46.2172.7-166.6-165.4131.300111.2R437 E439 T443 Q444 R445R437-E441 WeakPolarHBondContact O-CB 3.35Å; R437-E441 PolarHBondContact O-N 3.38Å; E439-E441 VanDerWaalsContact C-N 3.33Å; E439-E441 PolarHBondContact O-N 3Å; E441-T443 VanDerWaalsContact C-N 3.27Å; E441-T443 PolarHBondContact O-N 3.35Å; E441-Q444 PolarHBondContact O-N 2.88Å; E441-R445 VanDerWaalsContact O-CB 3.31Å; E441-R445 WeakPolarHBondContact O-CB 3.33Å; E441-R445 PolarHBondContact O-N 3.29Å
442R81.5Confident70.5Confident175 Ų175108 Ų10866%0.6656%0.557SS**Hα-helixtrans-56.1-39.5173.7-77.3174.5174-178-0.1111.8L438 E439 E440 S446L438-R442 HydrophobicContact CD2-CG 4.36Å; L438-R442 WeakPolarHBondContact O-CG 3.41Å; L438-R442 PolarHBondContact O-N 3.04Å; E439-R442 CarbonylContact O-C 3.6Å; E439-R442 WeakPolarHBondContact O-CA 3.38Å; E439-R442 WeakPolarHBondContact O-CB 3.48Å; E439-R442 PolarHBondContact O-N 3.04Å; E439-R442 VanDerWaalsContact O-N 3.1Å; E440-R442 PolarHBondContact O-N 3.29Å; R442-S446 WeakPolarHBondContact O-CB 3.48Å; R442-S446 PolarHBondContact O-N 3.46Å; R442-S446 PolarHBondContact O-OG 2.93Å
443T76.8Confident68.6Low52 Ų52110 Ų11032%0.31956%0.562SS.*Hα-helixtrans-70.8-33.4174.582.60000113.4E439 E440 E441 S446 K447E439-T443 WeakPolarHBondContact O-CG2 3.3Å; E439-T443 PolarHBondContact O-N 3.45Å; E440-T443 CarbonylContact O-C 3.42Å; E440-T443 PolarHBondContact O-N 2.98Å; E440-T443 PolarHBondContact O-OG1 3.17Å; E441-T443 VanDerWaalsContact C-N 3.27Å; E441-T443 PolarHBondContact O-N 3.35Å; T443-S446 PolarHBondContact O-OG 2.77Å; T443-K447 VanDerWaalsContact O-CD 3.23Å; T443-K447 WeakPolarHBondContact O-CD 3.32Å; T443-K447 WeakPolarHBondContact O-CG 3.35Å; T443-K447 PolarHBondContact O-N 3.19Å; T443-K447 VanDerWaalsContact O-N 3.12Å; T443-K447 PolarHBondContact OG1-NZ 3.43Å
444Q65.9Low66.6Low110 Ų110112.2 Ų112.251%0.51457%0.574SS.*Hα-helixtrans-71-41.4175.7-67.1-176.524.500110.8E440 E441 K447 A448E440-Q444 WeakPolarHBondContact O-CG 3.43Å; E440-Q444 PolarHBondContact O-N 2.98Å; E440-Q444 PolarHBondContact OE1-NE2 3.46Å; E441-Q444 PolarHBondContact O-N 2.88Å; Q444-K447 PolarHBondContact O-N 2.81Å; Q444-A448 PolarHBondContact O-N 2.95Å
445R62.5Low64.4Low187 Ų187113.5 Ų113.571%0.70659%0.586SS**Hα-helixtrans-65.2-37.3176.2-144.1170.1-164.9-1186.2111.6E441 S449E441-R445 VanDerWaalsContact O-CB 3.31Å; E441-R445 WeakPolarHBondContact O-CB 3.33Å; E441-R445 PolarHBondContact O-N 3.29Å; R445-S449 VanDerWaalsContact O-CB 3.28Å; R445-S449 WeakPolarHBondContact O-CB 3.36Å; R445-S449 PolarHBondContact O-N 3.24Å
446S59.8Low62.2Low73 Ų73121.1 Ų121.151%0.5161%0.61SS.*Hα-helixtrans-70.4-37.5174.4740000113R442 T443 S449 S450R442-S446 WeakPolarHBondContact O-CB 3.48Å; R442-S446 PolarHBondContact O-N 3.46Å; R442-S446 PolarHBondContact O-OG 2.93Å; T443-S446 PolarHBondContact O-OG 2.77Å; S446-S449 PolarHBondContact O-N 2.96Å; S446-S450 PolarHBondContact O-N 2.86Å
447K62Low59.7Low137 Ų137119.1 Ų119.160%0.59662%0.615SS**Hα-helixtrans-60.4-50.8170.8-71.2159-169.7157.80110.9T443 Q444 S449 S450T443-K447 VanDerWaalsContact O-CD 3.23Å; T443-K447 WeakPolarHBondContact O-CD 3.32Å; T443-K447 WeakPolarHBondContact O-CG 3.35Å; T443-K447 PolarHBondContact O-N 3.19Å; T443-K447 VanDerWaalsContact O-N 3.12Å; T443-K447 PolarHBondContact OG1-NZ 3.43Å; Q444-K447 PolarHBondContact O-N 2.81Å; K447-S449 VanDerWaalsContact C-N 3.35Å; K447-S449 PolarHBondContact O-N 2.89Å; K447-S450 PolarHBondContact O-N 3.46Å; K447-S450 PolarHBondContact O-OG 2.98Å
448A53.3Low57.3Low67 Ų67121.3 Ų121.355%0.55462%0.624SS**Hα-helixtrans-60.9-38.5177.400000113.5Q444 S450 A451Q444-A448 PolarHBondContact O-N 2.95Å; A448-S450 PolarHBondContact O-N 3.3Å; A448-A451 PolarHBondContact O-N 3.13Å
449S48Very low55Low60 Ų60129.8 Ų129.842%0.4265%0.651SS.*Hα-helixtrans-66.1-19.4-178.7-171.50000114.1R445 S446 K447R445-S449 VanDerWaalsContact O-CB 3.28Å; R445-S449 WeakPolarHBondContact O-CB 3.36Å; R445-S449 PolarHBondContact O-N 3.24Å; S446-S449 PolarHBondContact O-N 2.96Å; K447-S449 VanDerWaalsContact C-N 3.35Å; K447-S449 PolarHBondContact O-N 2.89Å
450S46.5Very low52.6Low81 Ų81129.1 Ų129.157%0.56666%0.661SS**THydrogen-bonded Turntrans-76.9-21.5179.170.20000115S446 K447 A448S446-S450 PolarHBondContact O-N 2.86Å; K447-S450 PolarHBondContact O-N 3.46Å; K447-S450 PolarHBondContact O-OG 2.98Å; A448-S450 PolarHBondContact O-N 3.3Å
451A43.2Very low50.2Low75 Ų75128.2 Ų128.262%0.6268%0.68SS**G310 helixtrans-77.1-29.9-172.300000114.2A448A448-A451 PolarHBondContact O-N 3.13Å
452N48.5Very low47.7Very low155 Ų155126.6 Ų126.683%0.82969%0.692SS**G310 helixtrans-98.18.8-165.5-76-13.8000115.6
453Q44.5Very low45.4Very low121 Ų121129 Ų12957%0.56570%0.701SS**G310 helixtrans-109.22.6-175.3-65.4-171.6-2100114.8
454S40.4Very low43.3Very low107 Ų107134.4 Ų134.475%0.74872%0.723SS**SBendtrans-117.364.6-176.5-165.10000113.9
455S35Very low41.7Very low115 Ų115139.6 Ų139.680%0.80474%0.738SS**SBendtrans-174.176.5159.4-87.90000113.6
456R35.6Very low40.3Very low259 Ų259138.4 Ų138.498%0.97774%0.738SS**  trans-176.895.1151.6-103150.1-172.91763.2112.3
457S31.7Very low39.1Very low113 Ų113142.3 Ų142.379%0.7975%0.748SS**  trans-153.5145.8159.1-1760000109.4
458R37.8Very low37.8Very low238 Ų238140.5 Ų140.590%0.89875%0.752SS**  trans68138.4-167.3-49.6175.7170.7-173.9-6.5112
459R35.6Very low36.8Very low250 Ų250146.3 Ų146.394%0.94377%0.768SS**  cis-131.7168.613.5-65.9178.2177-162.5-2.9112.3
460S33.8Very low36Very low120 Ų120149 Ų14984%0.83979%0.787SS**  trans-104.4152.1177.345.60000113.3
461G30.1Very low35.5Very low87 Ų87154 Ų15490%0.89780%0.798SS**  trans89.1143.915800000118.1
462G30.1Very low35Very low76 Ų76158 Ų15878%0.78481%0.808SS**  trans126.773.8157.700000119.5
463R31.8Very low34Very low225 Ų225155.6 Ų155.685%0.84980%0.804SS**  trans28.7134.7142.5-60.6-176.1-173.4-116.23.7122.8
464H32.3Very low33.5Very low166 Ų166160.4 Ų160.477%0.76982%0.817SS**  trans80129.4140.9-70.3-50.4000124.3
465R32.4Very low33.1Very low219 Ų219159.6 Ų159.683%0.82681%0.811SS**  89.4106.9127.7-174.7172.3178.3153.8-1.8122.3
466K34.3Very low33.1Very low163 Ų163161.8 Ų161.871%0.70981%0.809SS**  trans68.7136.1143-74.8-172.6171.7-1580118.5
467Q34.1Very low32.9Very low154 Ų154153 Ų15372%0.7279%0.787SS**  69.2128.987.1-137.5-179.3-15.200110.8
468S34Very low33.1Very low99 Ų99156.6 Ų156.669%0.69279%0.788SS**  cis-157.1-16827.5-340000113.8
469Q33.4Very low32.7Very low190 Ų190151 Ų15189%0.88878%0.781SS**  trans-27.9169.7158.3-53178.5-3.200117.5
470S31.8Very low32.4Very low115 Ų115150.1 Ų150.180%0.80478%0.778SS**  cis-157.3-169.331.264.50000115
471K34.3Very low32.1Very low187 Ų187148.2 Ų148.281%0.81377%0.769SS**  trans-103.3159-179.7-55.3171.2-179175.20111.3
472L32.7Very low31.9Very low158 Ų158153.3 Ų153.383%0.82777%0.767SS**  161144.6119.6-88.4162.9000115.4
473S28.8Very low31.7Very low106 Ų106159.6 Ų159.674%0.74177%0.767SS**  trans61.4166142.9-68.50000121.8
474R34.3Very low31.4Very low221 Ų221156.1 Ų156.183%0.83476%0.758SS**  cis-178.5148.9-32177.8177.7177.7179.90.2108.2
475S31.9Very low31Very low90 Ų90155 Ų15563%0.62975%0.754SS**  trans70.4155162.8-91.20000117.5
476Q33.7Very low30.9Very low162 Ų162149.8 Ų149.876%0.75775%0.746SS**  cis-164.6161.6-15.1-131.1-176.149.900114.2
477S31.1Very low30.6Very low74 Ų74147.9 Ų147.952%0.51775%0.748SS.*  trans76.2116.3137.7-720000125.2
478K37.2Very low30.2Very low188 Ų188147.3 Ų147.382%0.81775%0.75SS**  trans69.9155.7134.3-59.2178.3176.7177.40118.5
479T29.3Very low29.9Very low122 Ų122145.8 Ų145.875%0.74875%0.75SS**  cis-153169.76.8-18.60000112.4
480R29.1Very low29.8Very low230 Ų230143.1 Ų143.187%0.86875%0.747SS**  trans26.9135.2146-93.1-178.6173-174.3-4.2120.6
481A27.2Very low29.7Very low80 Ų80145.1 Ų145.166%0.66174%0.743SS**  cis65.3130.136.700000115.1
482F26.6Very low29.5Very low194 Ų194142.4 Ų142.485%0.85174%0.737SS**  cis-169.4154.82-140.5-61.5000109.3
483R26.5Very low29.5Very low209 Ų209141.7 Ų141.779%0.78973%0.729SS**  trans69.2160.7168.1-62.3-155.3-83.5-141.94116
484F24.6Very low29.7Very low151 Ų151144.3 Ų144.366%0.66273%0.734SS**  cis-156.7164.1-1.5-137.9-147.4000111
485E24.1Very low30.5Very low144 Ų144140.7 Ų140.767%0.67374%0.736SS**  trans39.7177.2144.4-72.1-174.5162.400122
486T29.1Very low30.5Very low108 Ų108142 Ų14266%0.66374%0.736SS**  cis-151.8-170.61.5-12.70000111
487T29Very low30.6Very low123 Ų123141.3 Ų141.376%0.75573%0.731SS**  trans83.9139.4165.680.10000117.6
488D26.4Very low30.6Very low142 Ų142143.6 Ų143.676%0.75974%0.737SS**  cis-161.3-179.3-20.6-118.2-82.7000107.7
489G27.6Very low30.2Very low67 Ų67143.4 Ų143.469%0.69173%0.733SS**  cis156.2164.85.600000108.8
490T30.7Very low30.7Very low134 Ų134145.3 Ų145.382%0.82273%0.726SS**  cis-152.1-127.2-5.864.40000110
491H28.9Very low30.9Very low157 Ų157137.7 Ų137.773%0.72772%0.719SS**  trans65.594.1164.7-165.3-70.8000122.4
492L31.6Very low31.2Very low131 Ų131143 Ų14369%0.68672%0.724SS**  trans45.7140.2139-45.9179.6000121.3
493E31.1Very low31.5Very low142 Ų142138.4 Ų138.466%0.66472%0.715SS**  cis-164.2166.3-4.8-111.8-60.4155.200111.8
494L33.3Very low31.6Very low162 Ų162133.8 Ų133.885%0.84872%0.715SS**  trans39.2101.9157.2-133.773.5000120.7
495V52.1Low31.9Very low144 Ų144130.9 Ų130.987%0.87371%0.713SS**  trans-142.9147.2176.8175.50000111.7
496D31.2Very low32.3Very low118 Ų118132.1 Ų132.163%0.63172%0.724SS**  trans-145.3149.6-174.3-173.732.7000113.5
497K35.5Very low32.2Very low147 Ų147130.8 Ų130.864%0.63972%0.724SS**  trans54.4139.3161.2-86.6169.4-153.969.30125
498D31.8Very low32.2Very low123 Ų123137 Ų13766%0.65873%0.733SS**  trans62.2150.1141.3-58.2-28.6000120.7
499Y28.1Very low32.3Very low184 Ų184135.5 Ų135.572%0.72273%0.734SS**  cis-150.3159.3-6.6-130.6-132.3000106.9
500R39.4Very low33Very low162 Ų162137.9 Ų137.961%0.61174%0.737SS**  cis73.4134.133.2-172.7-167.4-48-73.6-1.5113.3Y502R500-Y502 HydrophobicContact CG-CD2 4.12Å; R500-Y502 HydrophobicContact CG-CE2 4Å
501G33.5Very low33Very low70 Ų70141.6 Ų141.672%0.72274%0.736SS**  cis-162.8-168.4-2.600000110.6
502Y33.3Very low33.2Very low192 Ų192139.8 Ų139.875%0.75373%0.728SS**  cis-151.1169.48.3-127.2-79.3000113.2R500R500-Y502 HydrophobicContact CG-CD2 4.12Å; R500-Y502 HydrophobicContact CG-CE2 4Å
503S34.4Very low33.1Very low97 Ų97141.2 Ų141.268%0.67873%0.731SS**  trans-63.7-175.9179.5-42.10000115
504S28.6Very low32.9Very low111 Ų111138.6 Ų138.678%0.77673%0.734SS**  cis-172.6178.229.561.40000110.5
505S30.4Very low32.9Very low90 Ų90139 Ų13963%0.62974%0.736SS**  cis-175.2170.3-33.8-82.70000110
506L31.3Very low31.9Very low171 Ų171136.4 Ų136.490%0.89573%0.73SS**  trans73.1157.5166-58.4121000118.8
507A27.6Very low31.9Very low80 Ų80137 Ų13766%0.66174%0.738SS**  cis-178.3139.7-36.800000111.1
508R28.9Very low31.7Very low253 Ų253136.9 Ų136.996%0.95574%0.739SS**  trans178.3158.1136.4-103.7166.6177.7164.70.7116.4
509S28.4Very low31.7Very low111 Ų111142.7 Ų142.778%0.77675%0.752SS**  trans-166.4164.1176.9-163.20000105.9
510P42.4Very low31.8Very low117 Ų117139.9 Ų139.976%0.7675%0.745SS**  cis-141.1-161.219.744.1-22.5000116.9
511R31.5Very low31.5Very low211 Ų211142 Ų14280%0.79675%0.753SS**  trans-79.5-172.3175.9-62.6151.159.7132.3-10.1111.6
512E32.3Very low31.3Very low119 Ų119144 Ų14456%0.55675%0.751SS**  cis-173.1-177.423.7-150.3171.4-118.300114.5
513Q28.9Very low31.1Very low161 Ų161145.4 Ų145.475%0.75276%0.755SS**  trans77.3133.7159.2-66.4156.840.600117.3
514A28.9Very low30.9Very low87 Ų87149 Ų14972%0.71976%0.761SS**  cis86.413038.700000112.9
515L31.6Very low30.9Very low171 Ų171152.4 Ų152.490%0.89576%0.764SS**  -163.8-172.762.6-83168.2000112.8
516A31.3Very low31Very low89 Ų89156.3 Ų156.374%0.73678%0.777SS**  trans-132174170.800000111.5
517V31.9Very low30.9Very low132 Ų132152 Ų15280%0.877%0.766SS**  trans165.2121.9141.1153.10000114.7
518E31.4Very low31Very low143 Ų143156.7 Ų156.767%0.66877%0.774SS**  trans48.2137.4138.6-154.5168.6169.600124.9Q520E518-Q520 PolarHBondContact OE1-NE2 2.74Å
519R30.9Very low31Very low246 Ų246150 Ų15093%0.92877%0.766SS**  trans-112149.1157.2-80178.7169.8162.6-3.7109.9
520Q30.5Very low31.1Very low124 Ų124152.3 Ų152.358%0.57977%0.768SS**  trans-152.2134.6166.9-125.8-169.888.100114.2E518E518-Q520 PolarHBondContact OE1-NE2 2.74Å
521R32.9Very low31.1Very low208 Ų208152.3 Ų152.379%0.78577%0.768SS**  trans74.4153.9157.9-52.9-167.7-174.5-152.3-3.1119.4
522T30.3Very low30.9Very low111 Ų111149.3 Ų149.368%0.68177%0.768SS**  cis-172.9159.8-29.140.70000110.2
523R28Very low30.9Very low221 Ų221151.6 Ų151.683%0.83478%0.782SS**  trans75.6153.6166.1-49.3-162.8176.1-154.3-6.4113.6
524H30.9Very low31.2Very low173 Ų173151 Ų15180%0.80178%0.783SS**  cis-130.7170.426.6-99.7-107.8000115.3
525H28Very low31.2Very low182 Ų182154 Ų15484%0.84379%0.787SS**  trans-90.2142.2164.9-68.2-96.8000110.8
526L33Very low31Very low172 Ų172151.2 Ų151.290%0.90178%0.782SS**  trans-150.6153.2135.9-14571.6000107.9
527A29.3Very low30.9Very low80 Ų80152.2 Ų152.266%0.66178%0.784SS**  trans-122.2154.3173.400000108.5
528H29.9Very low30.9Very low179 Ų179154.8 Ų154.883%0.82979%0.787SS**  trans-173.3140.9146.1-88.1-54.2000111.1
529S28.1Very low31Very low112 Ų112155.1 Ų155.178%0.78379%0.792SS**  trans38128.215356.10000122.8
530I30.7Very low31.5Very low161 Ų161148.6 Ų148.683%0.82678%0.782SS**  trans-95.6155.9154.3-26.3177.7000108.3
531P43.3Very low31.4Very low116 Ų116148.8 Ų148.875%0.75379%0.791SS**  -148.7173.19838.2-20.4000116.6
532N27.3Very low31.3Very low149 Ų149144.3 Ų144.380%0.79779%0.787SS**  trans-30.2156.4176.8-55.2-8.8000120.5
533I31.7Very low31.8Very low166 Ų166145 Ų14585%0.85179%0.793SS**  -166.3171.6116.3-98.1158.3000110.5
534L34.4Very low32Very low149 Ų149143 Ų14378%0.7879%0.793SS**  trans-95.2166.3-162.1-59.179.5000115.7
535D28.9Very low32Very low149 Ų149146.2 Ų146.280%0.79780%0.799SS**  100.8156.3127.9-131-16.1000122.5
536S27.6Very low32Very low114 Ų114144.6 Ų144.680%0.79780%0.796SS**  trans80130.3159.670.20000120.4
537S29.6Very low31.8Very low109 Ų109141.6 Ų141.676%0.76279%0.785SS**  trans-97.5147.7-175.353.10000114.1
538H32Very low31.9Very low187 Ų187143.5 Ų143.587%0.86679%0.793SS**  -163.4159.7127.6-139.7-95000113.8
539L33Very low32.4Very low149 Ų149138.8 Ų138.878%0.7879%0.793SS**  trans-95.3170.7171.5-68.3172.9000110.1
540P42.3Very low33.1Very low110 Ų110142.8 Ų142.871%0.71480%0.8SS**  cis-152.7-176.627.545.4-23.9000119.9
541V27.3Very low33.6Very low127 Ų127143.6 Ų143.677%0.7781%0.805SS**  trans58.4104.3145.1166.20000120.9
542T31.1Very low33.5Very low114 Ų114143.2 Ų143.270%0.69981%0.811SS**  177.5153.1108.140.20000110.8
543P41.9Very low34.2Very low126 Ų126145.4 Ų145.482%0.81881%0.813SS**  trans-108.2112.2168.435-24.7000112.2
544E31.3Very low34.8Very low178 Ų178149.3 Ų149.383%0.83282%0.817SS**  trans-130.4160170.662-173.5172.100112.4
545W30.5Very low34.9Very low241 Ų241154.1 Ų154.191%0.91383%0.825SS**  trans-103.4136.9-159.6-61.459.5000111.7
546D28.8Very low35Very low148 Ų148155.8 Ų155.879%0.79183%0.831SS**  -172.8149.7112.4-120.30.6000117.6
547V29.6Very low35.2Very low109 Ų109159.3 Ų159.366%0.66183%0.834SS**  trans50.4109.1140.3174.70000121.5
548S29.9Very low35.3Very low120 Ų120162.5 Ų162.584%0.83984%0.839SS**  trans61.8118.4137.9-61.20000122.2
549G41.7Very low35.8Very low80 Ų80158.9 Ų158.983%0.82583%0.832SS**  123.5488.800000121.1
550E42.7Very low35.7Very low197 Ų197161.4 Ų161.492%0.92184%0.838SS**  trans-145.179.8-177.6-153.9161.8-169.800115.1
551L40Very low35.6Very low178 Ų178161.8 Ų161.893%0.93284%0.84SS**  trans-138.920.7178.2-122.8170.3000115.4
552A42.2Very low35.9Very low107 Ų107164.9 Ų164.988%0.88485%0.846SS**  trans-10132.6-175.100000114.7
553K42.6Very low36.1Very low195 Ų195165.2 Ų165.285%0.84885%0.85SS**SBendtrans-15872.9179.4-150.2170.6-170.2174.20117.3
554R43.3Very low35.6Very low248 Ų248165 Ų16594%0.93685%0.852SS**  trans177.579.2150-102164.8-177.2159.6-1.5112.5
555R37.3Very low35.6Very low250 Ų250165.8 Ų165.894%0.94386%0.855SS**  trans-150.685.3154-77.8-158.9176.11190.1109.4
556M31.3Very low35.6Very low185 Ų185157.5 Ų157.591%0.91184%0.844SS**  trans-137.9163.5158-69.4-160.5-53.800106.7
557E31.3Very low36.2Very low188 Ų188157.2 Ų157.288%0.87985%0.851SS**  trans77.187.7178-156157.9-12100115.3
558M31.9Very low36.3Very low175 Ų175157.1 Ų157.186%0.86285%0.854SS**  trans-122.7147.1134.9-78.4-64.1-72.200107
559P42.8Very low36.5Very low111 Ų111157.9 Ų157.972%0.72185%0.854SS**  trans-88149.1-160.233.4-36.2000114.5
560F30.8Very low36Very low203 Ų203161.7 Ų161.789%0.8985%0.85SS**  trans-110146.9160-96-99.3000109.4
561P38.6Very low35.5Very low118 Ų118161.4 Ų161.477%0.76684%0.842SS**PPolyproline II helixtrans-75.6150.7-174.430.2-35.7000114
562E33.6Very low35Very low192 Ų192158.9 Ų158.990%0.89784%0.839SS**PPolyproline II helixtrans-79.3140.8178.5-62.8-177.7118.900113.3
563P37Very low34.6Very low121 Ų121162.6 Ų162.679%0.78684%0.835SS**PPolyproline II helixtrans-88.1136.8155.8-4.223.5000111.1
564S31.3Very low34.1Very low121 Ų121160.4 Ų160.485%0.84684%0.838SS**PPolyproline II helixtrans-82.4139.1-175.853.10000115
565H30Very low33.5Very low195 Ų195157.5 Ų157.590%0.90384%0.835SS**PPolyproline II helixtrans-86.1164.4161.8-64.2-60.1000110.9
566G31.7Very low33.3Very low67 Ų67157.2 Ų157.269%0.69183%0.834SS**  cis-159.9-138.94.500000109.5
567P41.4Very low33.3Very low142 Ų142154 Ų15492%0.92283%0.829SS**  cis-114.2-150.89.141.8-29.2000113.4
568S32Very low33.3Very low106 Ų106153.4 Ų153.474%0.74183%0.826SS**  trans-130.3159.8-152.360.10000116.6
569T32.5Very low33.3Very low136 Ų136150.1 Ų150.183%0.83482%0.82SS**  trans-162.8123.6134.616.30000114.9
570H31.2Very low33Very low160 Ų160152.7 Ų152.774%0.74182%0.822SS**  trans59.593.6146.2-87.2-114.9000125.2
571Y31.9Very low33.5Very low192 Ų192148.6 Ų148.675%0.75381%0.814SS**  45.3117.1128.2-67.9-75.3000124
572S30.3Very low33.2Very low124 Ų124150.2 Ų150.287%0.86781%0.812SS**  -173.6151.896.353.40000110.4
573K33Very low33.2Very low185 Ų185147.8 Ų147.880%0.80480%0.8SS**  cis138.874.4-12.7-171.1-179.4-174.2179.50109.6
574V32.5Very low33.1Very low150 Ų150149.8 Ų149.891%0.90979%0.792SS**  trans-125144.8164.6-178.20000108.4
575H30.2Very low33.5Very low187 Ų187151.6 Ų151.687%0.86679%0.785SS**  trans-114.8126.3-168.1-146.445.1000111.1
576R33.2Very low33.5Very low244 Ų244147.9 Ų147.992%0.92178%0.781SS**  trans-91.4105.7-176.1-166.4179.1-171.4121.5-4.2110.1
577S31.3Very low33.6Very low117 Ų117155.8 Ų155.882%0.81879%0.79SS**  trans-90.3134.6-176.554.80000113.4
578H32.3Very low33.1Very low176 Ų176154.7 Ų154.782%0.81578%0.776SS**  trans-79.9153178.8-92.2-105.1000114.5
579S31.2Very low32.9Very low105 Ų105158.6 Ų158.673%0.73478%0.783SS**  trans69.1139.5139.270.60000121.6
580H37.8Very low32.9Very low165 Ų165162.6 Ų162.676%0.76478%0.782SS**  143.6141.8102.7-163.660000113
581T40.6Very low32.7Very low118 Ų118160.1 Ų160.172%0.72478%0.783SS**  trans-102.6126.1-176.349.30000112.2
582Q31.7Very low32.6Very low151 Ų151155.9 Ų155.971%0.70678%0.782SS**  trans-160.9134.1152.6-126.7174.94400113.6
583E34.1Very low32.7Very low142 Ų142159.7 Ų159.766%0.66478%0.782SS**  trans-68.5152.6158.4-72.9-17095.300110.9K585E583-K585 IonicContact OE1-NZ 3.28Å; E583-K585 PolarHBondContact OE1-NZ 2.87Å; E583-K585 IonicContact OE2-NZ 2.69Å
584R35Very low32.6Very low163 Ų163155.8 Ų155.862%0.61579%0.785SS**  -163.1163.1125.2-110.1158.6-177.6153.6-3.9113.9
585K38.6Very low32.8Very low159 Ų159157.2 Ų157.269%0.69178%0.779SS**  trans-97.5177.8-166.7-75150.9167.8105.50112.9E583E583-K585 IonicContact OE1-NZ 3.28Å; E583-K585 PolarHBondContact OE1-NZ 2.87Å; E583-K585 IonicContact OE2-NZ 2.69Å
586S31.3Very low32.7Very low117 Ų117155.2 Ų155.282%0.81877%0.77SS**  trans88.7155.7170.986.50000116.7
587R32.8Very low32.6Very low233 Ų233153.2 Ų153.288%0.87976%0.762SS**  cis-153128.49.9-163.3169.3176.3168.2-3.8114.7
588N32.1Very low32.8Very low118 Ų118151 Ų15163%0.63175%0.747SS**  trans-2.2133.1151.9170.2105.3000121.1
589E27.6Very low32.9Very low188 Ų188153.4 Ų153.488%0.87975%0.749SS**  trans-162.7170.5138.8-124.2165.6-143.300113.9
590R32Very low32.8Very low221 Ų221153 Ų15383%0.83475%0.746SS**  -166.2121.2-83.3-161-174-160.1-167.63.8114
591S28Very low32.5Very low107 Ų107153.4 Ų153.475%0.74875%0.75SS**  trans-173.2121.9159.246.10000110.2
592S30Very low31.9Very low104 Ų104153.9 Ų153.973%0.72775%0.749SS**  70.4130.672.189.20000114.1
593K31.4Very low32Very low203 Ų203153.8 Ų153.888%0.88375%0.753SS**  cis-149.1158.416-56.9167.5-178.7168.20111.8
594A31.2Very low32Very low104 Ų104152.2 Ų152.286%0.8676%0.758SS**  trans-154.2162.7143.800000110.2
595K35.7Very low31.7Very low180 Ų180154.4 Ų154.478%0.78377%0.772SS**  trans-138.4147.9178.7-157171.5172.6-157.80104.5
596E28.8Very low31.5Very low145 Ų145150.3 Ų150.368%0.67878%0.775SS**  -171.8173.461.5-168130.6-119.800113.3
597R31.7Very low31.9Very low201 Ų201150.3 Ų150.376%0.75877%0.772SS**  trans-35.9166.1157.2-86-177159.4123-5.3115.4
598S35.5Very low31.8Very low72 Ų72146.5 Ų146.550%0.50377%0.769SS.*  cis-174.9148.15.3-114.70000110.4
599R34.3Very low31.5Very low225 Ų225148 Ų14885%0.84978%0.776SS**  trans61.7169.3136.4-64.2172.9-174.2-158.2-6.3116.9
600S29.6Very low31.6Very low97 Ų97143.3 Ų143.368%0.67877%0.77SS**  cis-169.3142.3-23.4163.60000107.6
601M29.8Very low31.4Very low173 Ų173136 Ų13685%0.85276%0.764SS**  -175.9167128.5-99.1-49.9-72.300111.9
602D29.2Very low31.8Very low129 Ų129138.3 Ų138.369%0.6977%0.767SS**  trans-123.9174.8-168.7-159.9-4.2000111.8
603N34.3Very low31.9Very low148 Ų148141 Ų14179%0.79177%0.771SS**  trans-52.5147.4-167.4-73.2-85.2000119.6
604S32.3Very low31.8Very low110 Ų110134.3 Ų134.377%0.76976%0.76SS**  trans-155.4120.314146.60000109.3
605K28.9Very low32.3Very low208 Ų208135.5 Ų135.590%0.90476%0.759SS**  62.5127.289.7-66.2-159.4177.5-168.60115.8
606G34.4Very low33.6Very low74 Ų74132.4 Ų132.476%0.76376%0.758SS**  trans-80.8-159.7168.100000113.1
607P40.3Very low34.6Very low117 Ų117130.6 Ų130.676%0.7676%0.758SS**  cis-144.7-178.62945-26.6000117.9
608L30.3Very low34.5Very low153 Ų153127.5 Ų127.580%0.80176%0.757SS**  trans58.6151.4149.5-73.6170.3000124
609D25.6Very low34.4Very low148 Ų148132.6 Ų132.679%0.79177%0.766SS**  trans63153.9152.4-75.916.9000122.1
610A30.2Very low34.6Very low91 Ų91131.7 Ų131.775%0.75276%0.764SS**  cis-170.3162.1-23.300000111.9
611G27.7Very low34.8Very low68 Ų68132.5 Ų132.570%0.70176%0.761SS**  trans102.1160.6154.100000118.6
612L37.2Very low34.9Very low154 Ų154129.8 Ų129.881%0.80675%0.75SS**  cis-165.7148.2-6.2-106.9172.8000111.1
613I31.2Very low35Very low160 Ų160132.4 Ų132.482%0.82175%0.75SS**  trans70.5141.7156-62.6158.5000116.6
614G28.7Very low34.9Very low63 Ų63129.9 Ų129.965%0.64974%0.744SS**  cis-154.4-174.112.700000115.7
615P43.7Very low35Very low129 Ų129131.8 Ų131.884%0.83874%0.741SS**  trans-125.7177.6-141.539.5-24.4000117.9
616P62.1Low35Very low116 Ų116131.9 Ų131.975%0.75374%0.737SS**  trans-114.3-170.2-172.844.6-35.1000114.6
617P49.4Very low34.7Very low107 Ų107137.8 Ų137.870%0.69574%0.742SS**  trans-124.9159.8144.117.73.4000112.3
618D30.3Very low34.1Very low136 Ų136136.7 Ų136.773%0.72773%0.733SS**  cis-156.4148.1-6.3-98.8-27.5000112
619Y33.9Very low33.9Very low179 Ų179136.6 Ų136.670%0.70273%0.733SS**  trans18.1155142.1-75.3-90.4000123.3
620Y38.2Very low34Very low206 Ų206136.7 Ų136.781%0.80873%0.734SS**  cis-142.5174.411.5-100.8-89.6000108.2
621D32.7Very low33.8Very low113 Ų113136.6 Ų136.660%0.60473%0.727SS**  cis-174178.2-49.4-166.28.6000107.7
622D31.8Very low34Very low116 Ų116138.8 Ų138.862%0.6273%0.726SS**  trans76132.9158-121.753.9000118.6
623R31.9Very low33.7Very low184 Ų184139 Ų13969%0.69473%0.728SS**  cis173.3176-28.4160.2179.4-163.1160.34.8110.6
624S31.8Very low33.6Very low95 Ų95142.1 Ų142.166%0.66473%0.729SS**  trans74.8142157.5165.20000117.8
625H34.4Very low33.6Very low151 Ų151145.1 Ų145.170%0.69973%0.73SS**  cis-162.5175-22.2-100.6-45000109.6
626Y29.8Very low32.8Very low209 Ų209144.9 Ų144.982%0.8272%0.722SS**  trans-53.3154.5167.3-70.7-115000112.7
627F27.3Very low31.4Very low199 Ų199147.1 Ų147.187%0.87372%0.722SS**  -156.3167.4116.6-132.2-97.5000113.4
628T28Very low30.4Very low93 Ų93146.3 Ų146.357%0.57172%0.719SS**  trans-110.9159.7-175.950.70000112.9
629D27Very low30.4Very low152 Ų152145.4 Ų145.481%0.81372%0.724SS**  trans62.2142.4149.5-57.6-35.8000122.8
630D26.7Very low30.1Very low150 Ų150141.6 Ų141.680%0.80272%0.723SS**  trans102144.1132.4-125.1-14.2000123.5
631C26.9Very low29.7Very low89 Ų89139.1 Ų139.160%0.60172%0.719SS**  trans50.7105.6151.5-81.90000123.8
632T30.1Very low29.4Very low113 Ų113142.8 Ų142.869%0.69373%0.725SS**  60.8125.8122.862.90000123.1
633L31Very low29.3Very low159 Ų159142.6 Ų142.683%0.83273%0.728SS**  trans39.5114.7131-58.6169.7000119.8
634R30.9Very low29.1Very low226 Ų226145.1 Ų145.185%0.85374%0.738SS**  -178.4142.7100-101.7-177.6177.4-145.2-4.6117.2
635D27.2Very low29Very low126 Ų126146.5 Ų146.567%0.67474%0.742SS**  trans4.6147.8141.9-56.5-44.9000124
636N28Very low29.1Very low123 Ų123145.5 Ų145.566%0.65875%0.747SS**  trans90.5120134.4-85.7-44.7000123
637Q31.7Very low30Very low164 Ų164141 Ų14177%0.76674%0.743SS**  trans71.6151.3131.9-72.7177.259.700120
638S29.7Very low31.5Very low90 Ų90136.8 Ų136.863%0.62974%0.736SS**  cis-171.1157.4-10.448.40000113.8
639S30.2Very low31.6Very low117 Ų117137.1 Ų137.182%0.81874%0.742SS**  trans72.1159.7159.387.10000116.7
640S27.1Very low31.9Very low98 Ų98134.2 Ų134.269%0.68573%0.734SS**  cis-152.6-1619.854.70000110.2
641H29.3Very low32.3Very low155 Ų155135.4 Ų135.472%0.71873%0.732SS**  cis-159.6135.28.1-154.2-105.7000113.4
642Y27.6Very low32.3Very low190 Ų190138.7 Ų138.775%0.74574%0.742SS**  trans46.4105.9150.7-84.5-107.1000126.4
643T28.9Very low32.2Very low112 Ų112137.5 Ų137.569%0.68774%0.744SS**  12.6141.6123.264.10000124.9
644R28.6Very low32.1Very low236 Ų236134.1 Ų134.189%0.89174%0.739SS**  -176.3161.7121.5-101.4178.4-170.7-146.51.2109.6
645T29.1Very low32Very low124 Ų124130.7 Ų130.776%0.76174%0.737SS**  cis-149.5169.48.7-170000111.6
646T36.1Very low32.3Very low131 Ų131130.2 Ų130.280%0.80474%0.743SS**  trans-109.2-164.3170.358.50000109.7
647P49.7Very low32.3Very low113 Ų113129.6 Ų129.673%0.73476%0.756SS**  cis-143-145.817.747.2-23.6000113.4
648P57.7Low32.1Very low111 Ų111125.1 Ų125.172%0.72175%0.754SS**  cis-138.4157.5-14.537.2-17.3000119.7
649S30.5Very low32Very low100 Ų100128.4 Ų128.470%0.69976%0.763SS**  trans57.1114.4136-179.20000122.5
650S34.1Very low31.8Very low91 Ų91130.3 Ų130.364%0.63676%0.764SS**  83.3155.169.491.30000115.4
651K33.5Very low31.7Very low176 Ų176129.6 Ų129.677%0.76577%0.773SS**  cis-178173.346.2-137171.5-163.9174.40113.8
652I28.1Very low31.7Very low158 Ų158126.4 Ų126.481%0.8177%0.773SS**  trans76.4160.8156.2-63.6155000118.3
653A27.7Very low31.8Very low88 Ų88128.1 Ų128.173%0.72778%0.778SS**  -174.4161-74.700000113.2
654A29.5Very low31.7Very low88 Ų88129.4 Ų129.473%0.72778%0.781SS**  trans73.4126.1154.800000123.8
655D28.7Very low31.8Very low153 Ų153127.3 Ų127.382%0.81877%0.774SS**  trans62.5109.5130.6-56.3-8.6000125.7
656S32.5Very low31.7Very low116 Ų116128.4 Ų128.481%0.81177%0.771SS**  trans25124.7135.764.70000123.5
657A28.2Very low31.2Very low111 Ų111132 Ų13292%0.91778%0.775SS**  trans-157.1166.1137.100000110.1
658G26.5Very low30.7Very low70 Ų70133.5 Ų133.572%0.72278%0.776SS**  trans-173.1153.7169.800000112.7
659L29.1Very low29.2Very low158 Ų158137.6 Ų137.683%0.82778%0.782SS**  trans-174.8147.5166-104.9162000111.5
660D25.7Very low29.2Very low157 Ų157137.3 Ų137.384%0.8478%0.78SS**  trans38.7142.1153-64.4-10.8000124.6
661G25.4Very low29Very low84 Ų84141.4 Ų141.487%0.86679%0.787SS**  trans-177.230.4174.100000118.1
662A27.7Very low28.7Very low88 Ų88139.4 Ų139.473%0.72778%0.784SS**  trans-85.1141.6-17300000115.8
663R30.1Very low28.6Very low226 Ų226137.6 Ų137.685%0.85379%0.786SS**  trans175.1125.1152-102162.7-77.8-169.3-1.1109.8
664N26.6Very low28.8Very low139 Ų139141.4 Ų141.474%0.74379%0.793SS**  80.1144.682.2-74.913.8000115
665Y30.4Very low30Very low191 Ų191142.4 Ų142.475%0.74979%0.792SS**  cis-166.2173.9-23.6-140.9-105.6000108.4
666E28.8Very low29.9Very low147 Ų147140.7 Ų140.769%0.68779%0.787SS**  trans-27.1153.4174.9-58.9171.1138.900121.1
667K25.3Very low29.4Very low206 Ų206145.9 Ų145.990%0.89679%0.79SS**  -159147.7106.7-127.2165.2-171.9163.40116.6
668I39.2Very low29.6Very low145 Ų145145.1 Ų145.174%0.74478%0.778SS**  trans-119.6142.7178.3-62.3167.6000109.6
669K26Very low30.3Very low197 Ų197147.6 Ų147.686%0.85778%0.782SS**  trans163.3153.5149.5-93.4158.3-174.9-174.70110.9
670S30.3Very low30.5Very low94 Ų94149.5 Ų149.566%0.65778%0.783SS**  cis177.2155.7-25.651.70000110.6
671K29.3Very low31.2Very low178 Ų178147.2 Ų147.277%0.77478%0.777SS**  trans95.6125.1159.3-66-165.6164.4-162.20122
672D26.8Very low31.3Very low134 Ų134151.1 Ų151.172%0.71778%0.777SS**  44125.4123.8-41.4-32.9000123.3
673S26.5Very low31.3Very low120 Ų120152.1 Ų152.184%0.83978%0.779SS**  -173.5159.8125.938.10000113.8
674L32Very low31Very low167 Ų167145.7 Ų145.787%0.87477%0.774SS**  trans-153.9-177.3179-68.5178.1000107
675P54.9Low31Very low110 Ų110144.3 Ų144.371%0.71478%0.776SS**  cis-128.2-148.8-38.324.7-0000111.1
676T25.8Very low31Very low116 Ų116142.4 Ų142.471%0.71278%0.778SS**  trans115.2115.9132.7-64.60000122.6
677Y23.8Very low32.1Very low226 Ų226140.8 Ų140.889%0.88678%0.78SS**  trans77.5161.6143.4-97.4-123.8000126.1
678S30.8Very low32.4Very low94 Ų94135.8 Ų135.866%0.65777%0.771SS**  trans-110.6172.5169.763.90000111
679P42.3Very low31.8Very low123 Ų123137.5 Ų137.580%0.79978%0.776SS**  -157.3-172.3101.540.8-21000116.9
680K32.1Very low32Very low197 Ų197135.3 Ų135.386%0.85777%0.774SS**  trans-111.6153.9167.1-90.5-173.7174.8-178.70112.2
681P41.9Very low32.2Very low110 Ų110139.2 Ų139.271%0.71478%0.775SS**  trans-121.4154.4134.91.920.9000111.2
682L26.6Very low32.7Very low165 Ų165138.6 Ų138.686%0.86477%0.773SS**  72.3139.355.2-60173.7000113.1
683S27.3Very low33.4Very low109 Ų109139.2 Ų139.276%0.76277%0.772SS**  cis-163170.58.2-154.50000113.5
684A25.2Very low33.5Very low91 Ų91138.3 Ų138.375%0.75276%0.764SS**  trans62.7155.5151.300000120.8
685S24.9Very low33.6Very low111 Ų111137 Ų13778%0.77676%0.763SS**  cis-166.6159-17.749.80000112.6
686N30.4Very low32.5Very low151 Ų151135 Ų13581%0.80776%0.762SS**  trans-73.3-175.5163.7-64.4-15.7000110.8
687P53.3Low32.8Very low112 Ų112137.3 Ų137.373%0.72777%0.77SS**  cis-151.5-174.716.240.2-15.6000120.4
688S30.1Very low33.3Very low101 Ų101130.6 Ų130.671%0.70676%0.756SS**  trans79160138.455.80000124.4
689E26.4Very low33.3Very low182 Ų182134.7 Ų134.785%0.8577%0.765SS**  trans78.5135.4170.3-72.3175.5-16600117.9
690D30.6Very low32.7Very low150 Ų150136.5 Ų136.580%0.80277%0.766SS**  cis-155.9-162-12.7-150.1-6.7000114.3
691Y36Very low32.4Very low176 Ų176130.9 Ų130.969%0.6976%0.756SS**  trans-88.6176.7-156.3-143.4-97.6000119
692F38.9Very low31.8Very low165 Ų165133.5 Ų133.572%0.72476%0.764SS**  trans77.1145.8169.8-64.7-84.2000119.3
693Q41.7Very low31.8Very low148 Ų148131.7 Ų131.769%0.69276%0.76SS**  cis-170.9-174.7-33.4-128.7-175.916.600112.6
694C28.1Very low31.9Very low100 Ų100132.5 Ų132.568%0.67676%0.76SS**  trans83.996.5158.6-69.60000122.2
695T35.3Very low31.9Very low141 Ų141133.2 Ų133.287%0.86576%0.755SS**  34.7139.7119.3570000122.1
696G31.6Very low32.1Very low66 Ų66135 Ų13568%0.6876%0.755SS**  cis154.4162.6-4.700000114.5
697N32.5Very low31.9Very low165 Ų165134.7 Ų134.788%0.88275%0.751SS**  trans67152.3168.5-76.532.2000118.6
698S34.2Very low30.6Very low85 Ų85137 Ų13759%0.59476%0.757SS**  cis-169.2150.6-6.442.50000113.2
699E30.2Very low30.4Very low180 Ų180135 Ų13584%0.84175%0.753SS**  trans62.5167.2149.4-67.4173.8177.900118.4
700I28.6Very low30.5Very low161 Ų161132.4 Ų132.483%0.82675%0.75SS**  cis-137.7-155.69.1-153.5169.6000111.6
701A27.7Very low30.3Very low79 Ų79135 Ų13565%0.65376%0.757SS**  trans-149.5-165.4-173.900000114.1
702L28.3Very low29.8Very low165 Ų165129.8 Ų129.886%0.86476%0.756SS**  trans80.6165.1-177.5-49.7175.2000113.9
703T26.6Very low29.6Very low128 Ų128131.4 Ų131.479%0.78576%0.763SS**  cis-152.9159.218.7-35.20000113.1
704T28.4Very low29Very low126 Ų126131.3 Ų131.377%0.77377%0.767SS**  trans-75.8170.5165.7-44.90000112.2
705T26.3Very low29.1Very low105 Ų105131.5 Ų131.564%0.64477%0.77SS**  trans121.9109140.2-49.80000117.6
706I28.4Very low28.9Very low150 Ų150132.6 Ų132.677%0.76977%0.765SS**  trans31.1135.9134.9-33.3166.6000120
707I26Very low28.7Very low143 Ų143135.5 Ų135.573%0.73378%0.775SS**  169.2129.3122.1-90.1174.8000116.3
708L26.9Very low28.6Very low160 Ų160131 Ų13184%0.83877%0.768SS**  trans45.7162.7151-85.652.5000124.5
709G25.1Very low28.5Very low61 Ų61134.4 Ų134.463%0.62978%0.778SS**  trans121.170.3142.600000116.1
710T29.4Very low28.7Very low127 Ų127132.5 Ų132.578%0.77977%0.772SS**  43.512678.2710000116.8
711Q25.8Very low28.7Very low205 Ų205128.9 Ų128.996%0.95877%0.767SS**  trans72.9143.5160.3-152.2176.5107.800115.5
712G25.9Very low28.8Very low66 Ų66131 Ų13168%0.6877%0.767SS**  cis-175.5159.2-8.900000113.5
713K34.6Very low29Very low198 Ų198131.1 Ų131.186%0.86177%0.767SS**  trans1.3124.9168.5-60177-179.8178.90120.2
714N29.7Very low29.2Very low146 Ų146128.7 Ų128.778%0.78176%0.76SS**  trans52.6135.4142.9-6212.8000121.2
715S29Very low29.4Very low104 Ų104129.8 Ų129.873%0.72776%0.761SS**  -175.9124107.4-81.30000116.3
716H31.8Very low29.7Very low164 Ų164134.1 Ų134.176%0.75977%0.765SS**  trans53.4145.3134-65.8-75000126
717S26.8Very low30Very low127 Ų127134.1 Ų134.189%0.88876%0.762SS**  trans69.6144.5153.467.80000118.7
718G30.4Very low30.3Very low72 Ų72132.4 Ų132.474%0.74276%0.759SS**  cis-157.4-167.3-5.500000108.9
719L33.6Very low30.3Very low155 Ų155132 Ų13281%0.81275%0.752SS**  cis-152.4142.58.4-90.9166.2000107.3
720I32.4Very low30.6Very low140 Ų140138.2 Ų138.272%0.71876%0.757SS**  50.8129.2107.7-66.6-176.7000114.4
721A29.1Very low30.7Very low86 Ų86138.7 Ų138.771%0.71175%0.75SS**  cis-150.8-164.932.600000112.3
722N29.5Very low30.8Very low123 Ų123134.8 Ų134.866%0.65874%0.741SS**  -167.7173.9-58.1-82.5-12.2000109.1
723I33.8Very low30.7Very low168 Ų168137 Ų13786%0.86275%0.746SS**  trans73133.9154.6-76.7154.8000118.2
724A31.3Very low30.3Very low76 Ų76132.8 Ų132.863%0.62874%0.741SS**  cis-164.4169.4-13.100000113.4
725D32.5Very low31.1Very low150 Ų150131.7 Ų131.780%0.80274%0.742SS**  trans67.2147.5157.3-75.7-19.3000120.5
726R32.3Very low31.4Very low196 Ų196131.2 Ų131.274%0.7474%0.739SS**  cis-156.2149.76.3-138.4177.9154.7161.2-3.1114
727Q33.2Very low31.3Very low149 Ų149129.5 Ų129.570%0.69674%0.735SS**  trans24.6151.6141.4-70.6-174.9-54.900122.1
728T33.8Very low31.6Very low108 Ų108131.8 Ų131.866%0.66373%0.732SS**  cis-171.3149.34-93.60000106.3
729E27.2Very low31.5Very low151 Ų151134.7 Ų134.771%0.70673%0.73SS**  -175.8168.175.6-159.3155.6-174.400114.9
730R31.2Very low31.3Very low191 Ų191134.1 Ų134.172%0.72173%0.727SS**  trans-15.2167.5164.5-61170.2-173.7-103.78.9120.9
731Q31.3Very low31.2Very low137 Ų137132.2 Ų132.264%0.6473%0.726SS**  cis-173.5172.1-17.8-96.8178.5-82.100105.9
732T27.3Very low31.2Very low124 Ų124135 Ų13576%0.76173%0.729SS**  cis-129-132.25-26.90000109.2
733S24.6Very low31.3Very low113 Ų113135.4 Ų135.479%0.7974%0.736SS**  cis-147176.9-0.863.70000110.7
734S26.3Very low31Very low109 Ų109130.4 Ų130.476%0.76273%0.726SS**  trans-167.8-177.3-175.567.90000110
735P45.7Very low31.9Very low122 Ų122132.5 Ų132.579%0.79273%0.733SS**  cis-136.9-169.13.343.4-24.7000115.8
736S35.6Very low31.8Very low95 Ų95135.2 Ų135.266%0.66474%0.738SS**  trans-109.2-162.3166.8560000111.6
737N30Very low31.6Very low128 Ų128130.1 Ų130.168%0.68475%0.747SS**  trans90.2152.8170.8-53.823.7000115.1
738E31.7Very low31.3Very low175 Ų175126.6 Ų126.682%0.81875%0.75SS**  cis-137.9-158.76.1-148.6136-91.100112.6
739D29.3Very low31.1Very low132 Ų132127.5 Ų127.571%0.70676%0.761SS**  trans-138.7170.7-169.6177.846000113.1
740L30Very low31.4Very low143 Ų143127.9 Ų127.975%0.74977%0.767SS**  trans152.6130132-80.3164.7000116.4
741S30.6Very low32.3Very low100 Ų100124.4 Ų124.470%0.69977%0.769SS**  trans79162.9140.4850000119.8
742N28.4Very low33Very low145 Ų145123.2 Ų123.278%0.77577%0.774SS**  cis-160.9178.210.7-147.1-25.6000114.7
743V31.5Very low33.6Very low131 Ų131124.8 Ų124.879%0.79478%0.775SS**  trans86.7132.1160.4-156.70000119.9
744G27.3Very low34.2Very low64 Ų64125 Ų12566%0.6677%0.774SS**  trans-105.9-130.4169.800000112.8
745P50.6Low34.4Very low119 Ų119127.3 Ų127.377%0.77378%0.777SS**  cis-144.1-171.9-4.641.6-21.3000116.6
746K30.9Very low33.6Very low207 Ų207127.4 Ų127.490%0.978%0.781SS**  trans85.8124.5158.2-69.5-175.3176-175.30122.3
747G28Very low33.5Very low90 Ų90129.6 Ų129.693%0.92878%0.783SS**  trans88144.5152.100000116.4
748G27.2Very low34.1Very low75 Ų75129.1 Ų129.177%0.77379%0.788SS**  cis168.2153-9.200000113.1
749S28.7Very low34Very low127 Ų127127.1 Ų127.189%0.88878%0.783SS**  trans78140.1173.4-1460000119.9
750L34.3Very low34.7Very low158 Ų158126.7 Ų126.783%0.82779%0.787SS**  trans-97.4-169.4154.7-58.7168.3000107.5
751P48.4Very low34.6Very low118 Ų118124 Ų12477%0.76679%0.785SS**  cis-121.9-141.1-14.743-24.5000108.8
752P45.8Very low34.5Very low113 Ų113125.2 Ų125.273%0.73479%0.789SS**  cis-129.5-174.3-20.840.5-22.8000115
753I41.3Very low34.4Very low156 Ų156123.3 Ų123.380%0.879%0.786SS**  trans-88150.9167.6-58.4159.6000110.1
754P36.3Very low34.3Very low117 Ų117124.8 Ų124.876%0.7679%0.79SS**  trans-133.6158.6135.836.9-26.4000114.4
755L30.9Very low34.3Very low159 Ų159125.7 Ų125.783%0.83280%0.799SS**  trans-83.8168.8174.9-46.295.2000111.7
756S28Very low33.3Very low124 Ų124129 Ų12987%0.86780%0.804SS**  -173.4157.7123.3-81.80000113.9
757I35.1Very low33.9Very low140 Ų140123.8 Ų123.872%0.71879%0.791SS**  trans-90.4175.6174.1-27.6177.4000109.2
758P41Very low33.8Very low119 Ų119123.4 Ų123.477%0.77377%0.774SS**  -146.4152.491.839.3-23.8000116.3
759D30.1Very low33.9Very low133 Ų133128.1 Ų128.171%0.71178%0.776SS**  trans-70.1172.6157.6-57.6-75.2000111.1
760P45.3Very low33.8Very low123 Ų123127 Ų12780%0.79977%0.768SS**  -151.5150.297.238.2-21000118.1
761A26.7Very low33.5Very low86 Ų86124.1 Ų124.171%0.71177%0.767SS**  trans29.9118.6135.200000122.5
762T27.8Very low32.5Very low126 Ų126123.9 Ų123.977%0.77377%0.768SS**  9.5141.8129.257.80000122.5
763S27.4Very low31.7Very low104 Ų104125.3 Ų125.373%0.72778%0.775SS**  trans101133.7136.580.20000121.4
764N28.7Very low31.1Very low163 Ų163121 Ų12187%0.87277%0.768SS**  trans33.6118.3146.1-56.8-12.5000120.7
765G28.6Very low30.8Very low82 Ų82123.5 Ų123.585%0.84577%0.77SS**  trans-178.198.4164.800000116.7
766Q28.1Very low30.7Very low190 Ų190121.5 Ų121.589%0.88876%0.756SS**  trans-70.5171.4157.9-92.3-174.8-93.900111.5
767P43.9Very low30.9Very low96 Ų96123.1 Ų123.162%0.62375%0.748SS**  cis-145-170.4-28.837.3-17.1000114.7
768S27.1Very low30.9Very low82 Ų82124 Ų12457%0.57375%0.748SS**  trans82.2133.2133.2-87.40000124.3
769H29.2Very low30.5Very low175 Ų175125.4 Ų125.481%0.8174%0.742SS**  trans69.6150.7144.8-56.9-31.8000118.4
770S25.9Very low30.5Very low104 Ų104125.8 Ų125.873%0.72774%0.74SS**  cis-171.5159.6-15.749.60000111.1
771A27.3Very low30Very low96 Ų96128.3 Ų128.379%0.79375%0.745SS**  trans66.3138.9169.600000116.4
772S28.2Very low30Very low114 Ų114133.8 Ų133.880%0.79775%0.753SS**  cis109.1128.517.3-175.70000113.1
773V29.4Very low29.9Very low143 Ų143133.4 Ų133.487%0.86776%0.756SS**  trans140.2136.1148.6166.60000113.2
774G28.2Very low30Very low64 Ų64136.9 Ų136.966%0.6676%0.758SS**  trans92.7119.7165.800000114.8
775Q29.8Very low30.1Very low171 Ų171134.7 Ų134.780%0.79975%0.746SS**  cis72.4135.932.1-57.9-107.9-80.500115.4
776E29.7Very low30.2Very low117 Ų117136.9 Ų136.955%0.54774%0.743SS.*  cis-168.3133.1-24.5-158.8-172.1146.500110.1
777K32.2Very low30.6Very low158 Ų158135.1 Ų135.169%0.68774%0.739SS**  trans62.4157.4167.5-73.2158.7179.1156.80116.3
778H33.5Very low29.9Very low157 Ų157140.3 Ų140.373%0.72775%0.752SS**  cis-157.5-175-3.3-117.4-32.7000107.7
779K32.3Very low30Very low149 Ų149145 Ų14565%0.64876%0.762SS**  cis-140.3-69.69.1-153.9-165.1166.9-1470115.3
780E31.8Very low30.1Very low142 Ų142142.4 Ų142.466%0.66476%0.76SS**  trans-153.1142.4-157-83161.1173.900113.9
781I33.4Very low30.6Very low175 Ų175143 Ų14390%0.89776%0.762SS**  trans-163.8148.5133.9-97.2153000107.7
782F28.1Very low30.8Very low201 Ų201144.1 Ų144.188%0.88276%0.761SS**  trans-75.2138.3-175-106-120.6000114
783S25.3Very low30.7Very low119 Ų119144.5 Ų144.583%0.83276%0.764SS**  trans-170.7135.7131.6-84.50000114.1
784K28.9Very low30.7Very low177 Ų177145.8 Ų145.877%0.7777%0.765SS**  trans15.1140.8154-83.5-178.3150.3-1090124
785D31.4Very low30.6Very low116 Ų116147.4 Ų147.462%0.6277%0.766SS**  trans58.495.1134.4-50.6-22.5000120.1
786T31.3Very low30.7Very low128 Ų128147.1 Ų147.179%0.78577%0.769SS**  trans-176125.5138.3200000108.9
787L35.1Very low31.1Very low154 Ų154147.3 Ų147.381%0.80678%0.781SS**  49.4110.880.6-85.9162.4000114.6
788F30.7Very low30.8Very low205 Ų205142.9 Ų142.990%0.89978%0.78SS**  -169.8159.2126.5-105.9-65.7000113.7
789K29Very low30.5Very low181 Ų181146.2 Ų146.279%0.78779%0.787SS**PPolyproline II helixtrans-79.9157.1177-55.6171.2175.31770112.1
790P31.2Very low30.2Very low119 Ų119144.1 Ų144.177%0.77379%0.792SS**PPolyproline II helixtrans-73.7141.614532.6-31.3000111
791P35.9Very low30.1Very low118 Ų118142 Ų14277%0.76679%0.793SS**PPolyproline II helixtrans-80.2165.6175.833.3-35.3000112.8
792P32.1Very low30Very low119 Ų119140.8 Ų140.877%0.77379%0.787SS**PPolyproline II helixtrans-80.6141.6-171.132.2-35.9000114
793S25.6Very low30.2Very low121 Ų121142.1 Ų142.185%0.84679%0.786SS**  trans-83109.1166.155.10000110.8
794L29.1Very low30.5Very low170 Ų170146.3 Ų146.389%0.8979%0.789SS**  trans-70.7165.5167.1-73170.2000111.6
795S25.4Very low31.1Very low99 Ų99143.5 Ų143.569%0.69279%0.79SS**  trans-113.8142.5-15943.60000115.3
796L33.7Very low30.9Very low165 Ų165143.8 Ų143.886%0.86480%0.795SS**  trans65.6173.4160.3-91.872.9000116.8
797P37.3Very low30.9Very low121 Ų121143.5 Ų143.579%0.78679%0.793SS**  cis-132.4174.6-1731.5-12.7000115.2
798G26Very low30.6Very low65 Ų65143.9 Ų143.967%0.6780%0.795SS**  trans130.6132.5132.200000121.1
799Y26.9Very low30.5Very low226 Ų226137.7 Ų137.789%0.88678%0.782SS**  trans66.4127.5159.6-73.9-105.4000118.6
800S26.5Very low30.5Very low105 Ų105134.1 Ų134.173%0.73478%0.78SS**  cis90.613140.4-179.70000111.9
801S28.7Very low30.3Very low98 Ų98136.6 Ų136.669%0.68579%0.785SS**  cis-167.9-163.11.21710000110.1
802L31.8Very low29.9Very low149 Ų149136.3 Ų136.378%0.7878%0.781SS**  trans87.8133.1167.8-52.2178.1000116.3
803R32.6Very low29.9Very low230 Ų230138 Ų13887%0.86878%0.783SS**  cis-138.1161.62.2-65.1-172.7175.9-177.9-1.6112.5
804K31.6Very low29.9Very low206 Ų206136.6 Ų136.690%0.89677%0.773SS**  trans-99.2155.1161.5-74.9-178.3175.8178.90111.6
805P40.5Very low29.9Very low119 Ų119134 Ų13477%0.77377%0.769SS**  -143.417511738.6-25.6000113.7
806T29Very low29.9Very low121 Ų121134.3 Ų134.374%0.74277%0.771SS**  cis-161.3114.9-35.8-80.10000109.8
807V29.8Very low29.6Very low122 Ų122131 Ų13174%0.73976%0.76SS**  trans37.5125.5138.3-174.40000121.7A809V807-A809 HydrophobicContact CG1-CB 4.46Å
808L29.7Very low29.1Very low163 Ų163132.8 Ų132.885%0.85376%0.763SS**  -163.8117.8113.3-88.3172.8000106
809A28.8Very low29.1Very low75 Ų75133.6 Ų133.662%0.6276%0.764SS**  73.3135.362.200000113.8V807V807-A809 HydrophobicContact CG1-CB 4.46Å
810S28.7Very low29.4Very low105 Ų105130.4 Ų130.473%0.73476%0.762SS**  cis168.8132.3-29.743.20000108.4
811I27Very low29.4Very low171 Ų171131.4 Ų131.488%0.87776%0.758SS**  trans-138.5146.6161.6-62.5-174.9000108.9
812T26.9Very low29.5Very low113 Ų113131 Ų13169%0.69376%0.756SS**  trans-138.2-169.2-174.148.60000110.7
813L31.6Very low29.5Very low155 Ų155132 Ų13281%0.81276%0.756SS**  trans85.8142.6170.4-46-178000115.7
814S26.5Very low29.3Very low90 Ų90130.3 Ų130.363%0.62976%0.755SS**  cis-169.7153.9-13.4-106.80000113.1
815S28.5Very low29.1Very low115 Ų115123.3 Ų123.380%0.80474%0.742SS**  trans60.8159.914964.90000119.3
816S26.1Very low28.4Very low106 Ų106127 Ų12774%0.74175%0.746SS**  cis-151-173.610.4-148.10000113.7
817C27.3Very low28.3Very low95 Ų95128.8 Ų128.864%0.64275%0.751SS**  trans-58.7174.4170.455.20000114.7
818D25.8Very low28.3Very low159 Ų159126.9 Ų126.985%0.8575%0.748SS**  cis-145.4-175.231.8-94.1-58000114.7
819A27.8Very low28.7Very low83 Ų83125.2 Ų125.269%0.68675%0.747SS**  trans-144.3174.3-170.500000115.7
820L31.3Very low28.7Very low159 Ų159130.9 Ų130.983%0.83276%0.757SS**  trans75157.2168.9-45.4-177.1000116.3
821D27.2Very low28.9Very low125 Ų125131.5 Ų131.567%0.66876%0.759SS**  cis-149.5-168.8-2.3-141.8-35.8000113.9
822S30.4Very low28.8Very low91 Ų91131 Ų13164%0.63676%0.757SS**  trans-95.7176.6-167-45.30000114.6
823H33.1Very low28.7Very low170 Ų170133.1 Ų133.179%0.78776%0.763SS**  162.9121113.3-93.9-74000116.4
824K28.3Very low28.4Very low194 Ų194131 Ų13184%0.84376%0.756SS**  168.6136.7126.4-100-175173.8-176.60110.6
825G25.9Very low28.2Very low59 Ų59132.2 Ų132.261%0.60876%0.76SS**  cis119.386.5-12.400000115.5
826F27.9Very low28.2Very low197 Ų197134.5 Ų134.586%0.86476%0.762SS**  trans178.5135.8155.2-87.6-64.1000105.5
827D26.7Very low28.1Very low157 Ų157134.5 Ų134.584%0.8476%0.762SS**  cis128.8151.41.2-161.811000110.2
828A29.7Very low28Very low82 Ų82136.4 Ų136.468%0.67877%0.771SS**  trans-103.8-176.8-159.400000114.5
829P37.3Very low28.4Very low128 Ų128133.9 Ų133.983%0.83176%0.763SS**  -154.3-166.876.540.7-18.3000117
830K28Very low28.3Very low195 Ų195138.8 Ų138.885%0.84877%0.769SS**  trans-113.8155.9173.8-66.3172171.8171.70112.2
831P34.4Very low28.2Very low118 Ų118138.8 Ų138.877%0.76677%0.765SS**  -145.5148.9117.324-2.5000113.7
832L24.2Very low28.1Very low159 Ų159136.2 Ų136.283%0.83277%0.767SS**  93.2139.856.6-69.4170.8000116.6
833I24.7Very low28.1Very low159 Ų159137.3 Ų137.382%0.81577%0.77SS**  trans79.5154.9156.3-75.7165.2000121.5
834T25Very low27.8Very low111 Ų111138 Ų13868%0.68177%0.774SS**  cis-169.7143.7-48.8-141.80000116.4
835T23.3Very low27.7Very low115 Ų115132.8 Ų132.871%0.70677%0.767SS**  trans62.6152.5154.862.10000127.6
836L27.2Very low27.7Very low163 Ų163136.8 Ų136.885%0.85378%0.779SS**  trans73.9156.8154.8-100.771.6000119.3
837S23.8Very low27.7Very low106 Ų106132.2 Ų132.274%0.74177%0.772SS**  cis-156.9-170.9-0.858.10000113.1
838V25.9Very low27.7Very low135 Ų135130 Ų13082%0.81877%0.768SS**  trans-143.6140.2-169.4165.50000113.1
839P33.5Very low27.5Very low106 Ų106131 Ų13169%0.68878%0.777SS**  -159.7146.2126.237.9-17.8000120.4
840K27.4Very low27.1Very low185 Ų185129 Ų12980%0.80477%0.772SS**  trans61.8156.7134.1-68.8-174.6173.1-1660122.7
841Q28.3Very low27Very low160 Ų160128 Ų12875%0.74877%0.77SS**  cis-174.9141.7-15.1164.7176.4-14.300113.4
842G25.1Very low26.7Very low70 Ų70129.5 Ų129.572%0.72277%0.771SS**  trans89.9165.3148.700000120.6
843V30.9Very low26.8Very low115 Ų115126.9 Ų126.970%0.69777%0.767SS**  cis-159.1144.8-14.3-177.20000110.1
844E25.5Very low27Very low184 Ų184128 Ų12886%0.8677%0.766SS**  trans54.7179160.4-75.2166.8146.300121.9
845A27.4Very low27.3Very low85 Ų85129.9 Ų129.970%0.70277%0.772SS**  171.4125.8-83.400000113.4
846T25.3Very low27.7Very low142 Ų142133.3 Ų133.387%0.87177%0.773SS**  trans-174.6136.715017.10000117
847S27.2Very low28.1Very low102 Ų102134 Ų13471%0.71377%0.766SS**  trans43139.6140.966.60000126.8
848S26.7Very low28.5Very low109 Ų109136.8 Ų136.876%0.76277%0.772SS**  trans82.799.5131.866.80000124.1
849A26.6Very low29Very low103 Ų103135.4 Ų135.485%0.85176%0.764SS**  72.9162.5110.500000123.4
850A28.2Very low29.1Very low88 Ų88135.9 Ų135.973%0.72777%0.77SS**  trans95.498.1166.900000120.1
851E27Very low29.5Very low172 Ų172134.2 Ų134.280%0.80477%0.77SS**  53151.6121.4-63.2-177.5152.800124.6
852N28.1Very low29.9Very low150 Ų150134.3 Ų134.380%0.80278%0.776SS**  trans72.2149157.5-63.4-19.4000118
853S26.4Very low30.5Very low105 Ų105138.6 Ų138.673%0.73478%0.777SS**  cis-152.5177.7-5.9-163.10000111.3
854F29.2Very low30.8Very low181 Ų181140.6 Ų140.679%0.79478%0.778SS**  trans-44155.8159.7-77.9-110.5000112.7
855D30.8Very low31.2Very low152 Ų152137.4 Ų137.481%0.81377%0.767SS**  -165.2-172.363.2-129.1-45.3000116.8
856Y31.1Very low31.7Very low187 Ų187141.7 Ų141.773%0.73377%0.772SS**  trans-103.2157.9-160-129.6-145.6000116.6
857Y34.8Very low32Very low176 Ų176142 Ų14269%0.6977%0.769SS**  trans46.5134165.3-73.9-57.6000122.1V859Y857-V859 HydrophobicContact CD1-CG2 4.19Å
858N34Very low32.2Very low165 Ų165145.9 Ų145.988%0.88278%0.776SS**  -147.8146.4120.7-103.6-66.5000109.9
859V35.9Very low32.3Very low107 Ų107144.5 Ų144.565%0.64878%0.778SS**  trans-128.3136.7178.3-179.10000107.8Y857Y857-V859 HydrophobicContact CD1-CG2 4.19Å
860S35.3Very low32.4Very low116 Ų116145.6 Ų145.681%0.81177%0.774SS**  trans-155.4123.9163.9-63.90000109
861D35.7Very low32.4Very low150 Ų150150.6 Ų150.680%0.80278%0.78SS**  trans-68.8155.7157.9-52.9-77.2000109.5
862D37.8Very low32.4Very low162 Ų162148 Ų14887%0.86678%0.776SS**  trans-157.7166.5131.4-135.5-20.3000112.5
863E37.1Very low32.3Very low159 Ų159148.6 Ų148.674%0.74377%0.773SS**  trans-84.8168-155.3-75.5-79.4-166.600118.9
864E36.4Very low32.3Very low157 Ų157153 Ų15373%0.73478%0.779SS**  trans73.6139.3140.5-89.8-165.6141.200126.2
865L35.5Very low32.2Very low118 Ų118148 Ų14862%0.61878%0.778SS**  trans80.9101.6139.3-70.1166.5000124.3
866E35.9Very low32.1Very low174 Ų174150 Ų15081%0.81378%0.783SS**  79.6118.8118.3-89.2-179.1-160.400125.4
867D33.3Very low31.9Very low149 Ų149150.6 Ų150.680%0.79779%0.792SS**  96.1164.6128.5-145.525.3000122.7
868E31.3Very low31.5Very low184 Ų184151.5 Ų151.586%0.8680%0.8SS**  trans-62.4153.6-163.6-64.1-163.7132.900117.1
869G28.4Very low32.4Very low79 Ų79148.9 Ų148.981%0.81479%0.791SS**  trans-176.660.8174.300000117.8
870T29Very low31.9Very low126 Ų126153.7 Ų153.777%0.77380%0.804SS**  trans-46.4139.7-176.350.40000118.8
871K27.5Very low31.5Very low194 Ų194151.7 Ų151.784%0.84380%0.801SS**  trans85.8132.7133.8-85.7178.3-175174.70123
872V26.9Very low31.1Very low118 Ų118155.3 Ų155.372%0.71580%0.804SS**  115.9103.7125.9155.40000121.1
873Q26.8Very low31.2Very low161 Ų161152.5 Ų152.575%0.75279%0.792SS**  trans82.4146.4137.4-80-171.33.800124.8
874K25.6Very low30.7Very low199 Ų199150.4 Ų150.487%0.86580%0.795SS**  trans75.3145164-70.2171.2-177179.60116.7
875G26.6Very low30.8Very low74 Ų74151.4 Ų151.476%0.76380%0.8SS**  cis-156176.62.100000113.6
876E28.9Very low30.5Very low195 Ų195151.7 Ų151.791%0.91181%0.806SS**  trans-79.3137.2175.5-62.7176.296.300111.7
877E26.9Very low30.6Very low199 Ų199152.9 Ų152.993%0.9381%0.812SS**  trans-138.2159.5146.1-78.8-149.6143.900110.7
878K27.5Very low30.4Very low196 Ų196148.9 Ų148.985%0.85281%0.806SS**  trans-154.5172.8-165.2-135.1-168.8178.4171.80109.9
879P51.4Low30.9Very low109 Ų109147 Ų14771%0.70881%0.811SS**  -124168.4-92.641.6-29000114.5
880K26.6Very low31.4Very low209 Ų209145.6 Ų145.691%0.90980%0.797SS**  trans-157139.2156.1-94.7164.6-175.7174.60106.8
881G27.3Very low32.1Very low73 Ų73146.2 Ų146.275%0.75379%0.794SS**  cis98.7123.37.600000111.6
882R27.3Very low33Very low227 Ų227139.7 Ų139.786%0.85778%0.782SS**  cis-159.4135.11.4171.1-173.2-178.5-98.90.7109.6
883V39.8Very low34.2Very low103 Ų103138.8 Ų138.862%0.62478%0.776SS**  trans44.7123.5158.8-179.90000118.5E885V883-E885 HydrophobicContact CG1-CB 4.05Å
884S25.7Very low35.2Very low115 Ų115137 Ų13780%0.80477%0.77SS**  trans-117.4131.1132.6-164.20000107.9
885E38.6Very low36.7Very low178 Ų178133.6 Ų133.683%0.83276%0.757SS**  trans-95.2108.4-176.4-176.6170.1-17200108.4V883V883-E885 HydrophobicContact CG1-CB 4.05Å
886V28.9Very low38.3Very low124 Ų124137 Ų13775%0.75275%0.746SS**  trans-130.497.9171.4-179.30000108.2G888V886-G888 PolarHBondContact O-N 3.49Å
887E37.7Very low39.9Very low199 Ų199132 Ų13293%0.9373%0.726SS**  trans-0.199.7146.5-166.7166.5-157.800115.1
888G29.2Very low42.1Very low65 Ų65127.5 Ų127.567%0.6771%0.708SS**  trans-162.499.3-173.900000113.1V886V886-G888 PolarHBondContact O-N 3.49Å
889C42.9Very low44.2Very low144 Ų144124.1 Ų124.197%0.97370%0.695SS**  trans-44.2138.7179.2-175.30000115.5
890G39.2Very low45.3Very low50 Ų50125.6 Ų125.652%0.51569%0.686SS.*  trans147.6-16.8154.500000119.9G892G890-G892 PolarHBondContact O-N 3.17Å
891I42.4Very low47.2Very low139 Ų139122 Ų12271%0.71367%0.672SS**Hα-helixtrans-79.1-25.7-159.8-63.7175.8000115.2T893I891-T893 PolarHBondContact O-N 2.85Å
892G47Very low49.3Very low57 Ų57125.3 Ų125.359%0.58867%0.666SS**Hα-helixtrans-64.3-37.6-171.500000115.6G890 Q895 W896G890-G892 PolarHBondContact O-N 3.17Å; G892-Q895 PolarHBondContact O-N 2.87Å; G892-W896 PolarHBondContact O-N 3.37Å; G892-W896 VanDerWaalsContact O-N 3.07Å
893T52.3Low51.5Low98 Ų98117 Ų11760%0.60165%0.647SS**Hα-helixtrans-68.1-40.8-173.4-6.10000112.6I891 W896 L897I891-T893 PolarHBondContact O-N 2.85Å; T893-W896 PolarHBondContact O-N 3.5Å; T893-L897 WeakPolarHBondContact O-CB 3.36Å; T893-L897 WeakPolarHBondContact O-CG 3.46Å; T893-L897 PolarHBondContact O-N 2.91Å
894M47.3Very low53Low125 Ų125119.7 Ų119.762%0.61665%0.646SS**Hα-helixtrans-62.4-44.9177-76.3-64.4-66.700111.4L897 L898M894-L897 PolarHBondContact O-N 3.41Å; M894-L898 WeakPolarHBondContact O-CG 3.39Å; M894-L898 PolarHBondContact O-N 3.3Å
895Q56.9Low55.2Low127 Ų127117 Ų11759%0.59362%0.622SS**Hα-helixtrans-66.2-41.5179.8-173.9167.5-21.400111.8G892 L897 L898 E899G892-Q895 PolarHBondContact O-N 2.87Å; Q895-L897 PolarHBondContact O-N 2.91Å; Q895-L898 PolarHBondContact O-N 2.89Å; Q895-E899 VanDerWaalsContact O-CB 3.3Å; Q895-E899 WeakPolarHBondContact O-CB 3.45Å; Q895-E899 PolarHBondContact O-N 2.85Å
896W60.8Low57Low144 Ų144113.5 Ų113.555%0.54561%0.609SS.*Hα-helixtrans-64.7-37.6175.7-17486.9000112.9G892 T893 R900G892-W896 PolarHBondContact O-N 3.37Å; G892-W896 VanDerWaalsContact O-N 3.07Å; T893-W896 PolarHBondContact O-N 3.5Å; W896-R900 VanDerWaalsContact CH2-NH1 3.32Å; W896-R900 WeakPolarHBondContact O-CB 3.49Å; W896-R900 PolarHBondContact O-N 2.85Å
897L62.6Low59.1Low92 Ų92112.4 Ų112.448%0.48260%0.595SS.*Hα-helixtrans-66.2-46.2175.1-74.5170.7000111.8T893 M894 Q895 E899 R900 E901T893-L897 WeakPolarHBondContact O-CB 3.36Å; T893-L897 WeakPolarHBondContact O-CG 3.46Å; T893-L897 PolarHBondContact O-N 2.91Å; M894-L897 PolarHBondContact O-N 3.41Å; Q895-L897 PolarHBondContact O-N 2.91Å; L897-E899 VanDerWaalsContact C-N 3.33Å; L897-E899 PolarHBondContact O-N 3.26Å; L897-R900 PolarHBondContact O-N 3.44Å; L897-E901 WeakPolarHBondContact O-CB 3.47Å; L897-E901 PolarHBondContact O-N 3.45Å
898L71.9Confident60.4Low104 Ų104107.2 Ų107.255%0.54557%0.572SS.*Hα-helixtrans-63.3-37.6176.2-71.1167.8000112.2M894 Q895 K902M894-L898 WeakPolarHBondContact O-CG 3.39Å; M894-L898 PolarHBondContact O-N 3.3Å; Q895-L898 PolarHBondContact O-N 2.89Å; L898-K902 WeakPolarHBondContact O-CB 3.27Å; L898-K902 PolarHBondContact O-N 2.77Å
899E71.9Confident62.1Low125 Ų125111 Ų11158%0.58457%0.566SS**Hα-helixtrans-71-40.2176.2-175.3157.7-134.700112.1Q895 L897 K902 A903Q895-E899 VanDerWaalsContact O-CB 3.3Å; Q895-E899 WeakPolarHBondContact O-CB 3.45Å; Q895-E899 PolarHBondContact O-N 2.85Å; L897-E899 VanDerWaalsContact C-N 3.33Å; L897-E899 PolarHBondContact O-N 3.26Å; E899-K902 PolarHBondContact O-N 3.04Å; E899-A903 VanDerWaalsContact O-CB 3.29Å; E899-A903 WeakPolarHBondContact O-CB 3.46Å; E899-A903 PolarHBondContact O-N 3.1Å
900R73.9Confident63.1Low140 Ų140110.6 Ų110.653%0.52855%0.548SS..Hα-helixtrans-62.5-40.6171.9177.4-175178.495.8-2112W896 L897 A903 R904W896-R900 VanDerWaalsContact CH2-NH1 3.32Å; W896-R900 WeakPolarHBondContact O-CB 3.49Å; W896-R900 PolarHBondContact O-N 2.85Å; L897-R900 PolarHBondContact O-N 3.44Å; R900-A903 PolarHBondContact O-N 2.9Å; R900-R904 WeakPolarHBondContact O-CG 3.41Å; R900-R904 PolarHBondContact O-N 3.25Å
901E67.4Low64.3Low132 Ų132112.6 Ų112.662%0.61754%0.544SS*.Hα-helixtrans-68.9-46.5176.8-176.5164-122.700111.3L897 A903 R904 D905L897-E901 WeakPolarHBondContact O-CB 3.47Å; L897-E901 PolarHBondContact O-N 3.45Å; E901-A903 VanDerWaalsContact C-N 3.27Å; E901-A903 PolarHBondContact O-N 2.93Å; E901-R904 CarbonylContact O-C 3.43Å; E901-R904 WeakPolarHBondContact O-CA 3.28Å; E901-R904 PolarHBondContact O-N 2.86Å; E901-D905 PolarHBondContact O-N 2.9Å
902K70.7Confident65Low143 Ų143113.1 Ų113.162%0.62254%0.537SS*.Hα-helixtrans-57.2-38.2171.7-177.7-177.3176.8-171.10112.2L898 E899 D905 L906L898-K902 WeakPolarHBondContact O-CB 3.27Å; L898-K902 PolarHBondContact O-N 2.77Å; E899-K902 PolarHBondContact O-N 3.04Å; K902-D905 PolarHBondContact O-N 3.29Å; K902-L906 HydrophobicContact CG-CD1 4.43Å; K902-L906 WeakPolarHBondContact O-CB 3.13Å; K902-L906 PolarHBondContact O-N 3.47Å
903A74.1Confident65.8Low54 Ų54114.6 Ų114.645%0.44654%0.535SS..Hα-helixtrans-67.7-37.5173.500000112.3E899 R900 E901 Q907E899-A903 VanDerWaalsContact O-CB 3.29Å; E899-A903 WeakPolarHBondContact O-CB 3.46Å; E899-A903 PolarHBondContact O-N 3.1Å; R900-A903 PolarHBondContact O-N 2.9Å; E901-A903 VanDerWaalsContact C-N 3.27Å; E901-A903 PolarHBondContact O-N 2.93Å; A903-Q907 WeakPolarHBondContact O-CB 3.32Å; A903-Q907 PolarHBondContact O-N 3.41Å
904R72.3Confident65.4Low159 Ų159115.3 Ų115.360%0.653%0.534SS*.Hα-helixtrans-70.2-34.9172.8-73-163.169.974.33.1113.2R900 E901 Q907 M908R900-R904 WeakPolarHBondContact O-CG 3.41Å; R900-R904 PolarHBondContact O-N 3.25Å; E901-R904 CarbonylContact O-C 3.43Å; E901-R904 WeakPolarHBondContact O-CA 3.28Å; E901-R904 PolarHBondContact O-N 2.86Å; R904-Q907 WeakPolarHBondContact O-CB 3.36Å; R904-Q907 PolarHBondContact O-N 3.06Å; R904-M908 WeakPolarHBondContact O-CB 3.31Å; R904-M908 WeakPolarHBondContact O-CG 3.25Å; R904-M908 PolarHBondContact O-N 2.94Å
905D71.9Confident65.3Low57 Ų57114.3 Ų114.331%0.30554%0.535SS..Hα-helixtrans-70.3-38.6173.4-177.235.2000111E901 K902 M908 R909E901-D905 PolarHBondContact O-N 2.9Å; K902-D905 PolarHBondContact O-N 3.29Å; D905-M908 PolarHBondContact O-N 2.89Å; D905-R909 VanDerWaalsContact O-CB 3.25Å; D905-R909 WeakPolarHBondContact O-CB 3.42Å; D905-R909 WeakPolarHBondContact O-CG 3.38Å; D905-R909 PolarHBondContact O-N 3.31Å; D905-R909 IonicContact OD1-CZ 3.14Å; D905-R909 IonicContact OD1-NE 2.7Å; D905-R909 PolarHBondContact OD1-NE 3.4Å; D905-R909 IonicContact OD1-NH2 2.71Å; D905-R909 IonicContact OD2-CZ 3.98Å; D905-R909 IonicContact OD2-NE 2.75Å; D905-R909 PolarHBondContact OD2-NE 2.73Å; D905-R909 IonicContact OD2-NH2 3.68Å; D905-R909 PolarHBondContact OD2-NH2 3.01Å
906L75.8Confident64.4Low106 Ų106116.6 Ų116.656%0.55554%0.544SS*.Hα-helixtrans-60.1-44.9168.6-85.7160.8000112.4K902 R909 F910K902-L906 HydrophobicContact CG-CD1 4.43Å; K902-L906 WeakPolarHBondContact O-CB 3.13Å; K902-L906 PolarHBondContact O-N 3.47Å; L906-R909 PolarHBondContact O-N 3.32Å; L906-F910 WeakPolarHBondContact O-CB 3.28Å; L906-F910 PolarHBondContact O-N 3.12Å
907Q72.4Confident63.2Low101 Ų101114.6 Ų114.647%0.47255%0.551SS.*Hα-helixtrans-58.1-52.5174.1-17680.431.400110.9A903 R904 R909 F910 E911A903-Q907 WeakPolarHBondContact O-CB 3.32Å; A903-Q907 PolarHBondContact O-N 3.41Å; R904-Q907 WeakPolarHBondContact O-CB 3.36Å; R904-Q907 PolarHBondContact O-N 3.06Å; Q907-R909 VanDerWaalsContact C-N 3.35Å; Q907-R909 PolarHBondContact O-N 3.12Å; Q907-F910 WeakPolarHBondContact O-CB 3.23Å; Q907-F910 PolarHBondContact O-N 2.73Å; Q907-F910 VanDerWaalsContact O-N 3.16Å; Q907-E911 WeakPolarHBondContact CG-OE1 3.36Å; Q907-E911 PolarHBondContact NE2-OE1 2.97Å; Q907-E911 WeakPolarHBondContact O-CG 3.41Å; Q907-E911 PolarHBondContact O-N 2.9Å
908M64.8Low62Low89 Ų89113.1 Ų113.144%0.43856%0.558SS.*Hα-helixtrans-66.8-32.1179.5-71.5-151.6-55.700113R904 D905 R912R904-M908 WeakPolarHBondContact O-CB 3.31Å; R904-M908 WeakPolarHBondContact O-CG 3.25Å; R904-M908 PolarHBondContact O-N 2.94Å; D905-M908 PolarHBondContact O-N 2.89Å; M908-R912 WeakPolarHBondContact O-CB 3.38Å; M908-R912 PolarHBondContact O-N 2.73Å
909R66.3Low60Low145 Ų145115.2 Ų115.255%0.54758%0.575SS.*Hα-helixtrans-67.7-39.1172-74.8170.6-167.3-131.511.1111.4D905 L906 Q907 R912 T913D905-R909 VanDerWaalsContact O-CB 3.25Å; D905-R909 WeakPolarHBondContact O-CB 3.42Å; D905-R909 WeakPolarHBondContact O-CG 3.38Å; D905-R909 PolarHBondContact O-N 3.31Å; D905-R909 IonicContact OD1-CZ 3.14Å; D905-R909 IonicContact OD1-NE 2.7Å; D905-R909 PolarHBondContact OD1-NE 3.4Å; D905-R909 IonicContact OD1-NH2 2.71Å; D905-R909 IonicContact OD2-CZ 3.98Å; D905-R909 IonicContact OD2-NE 2.75Å; D905-R909 PolarHBondContact OD2-NE 2.73Å; D905-R909 IonicContact OD2-NH2 3.68Å; D905-R909 PolarHBondContact OD2-NH2 3.01Å; L906-R909 PolarHBondContact O-N 3.32Å; Q907-R909 VanDerWaalsContact C-N 3.35Å; Q907-R909 PolarHBondContact O-N 3.12Å; R909-R912 PolarHBondContact O-N 2.73Å; R909-T913 VanDerWaalsContact O-CB 3.31Å; R909-T913 WeakPolarHBondContact O-CB 3.21Å; R909-T913 PolarHBondContact O-N 3.37Å; R909-T913 PolarHBondContact O-OG1 2.72Å
910F63.6Low58Low136 Ų136117.6 Ų117.660%0.59659%0.586SS**Hα-helixtrans-65.2-48175.7-169.3-105.9000110.9L906 Q907 R912 T913 L914L906-F910 WeakPolarHBondContact O-CB 3.28Å; L906-F910 PolarHBondContact O-N 3.12Å; Q907-F910 WeakPolarHBondContact O-CB 3.23Å; Q907-F910 PolarHBondContact O-N 2.73Å; Q907-F910 VanDerWaalsContact O-N 3.16Å; F910-R912 PolarHBondContact O-N 2.88Å; F910-T913 PolarHBondContact O-N 3.28Å; F910-T913 VanDerWaalsContact O-N 3.12Å; F910-L914 HydrophobicContact CD1-CD1 3.83Å; F910-L914 HydrophobicContact CE1-CD1 3.59Å; F910-L914 HydrophobicContact CE1-CG 4.43Å; F910-L914 HydrophobicContact CZ-CD1 4.22Å; F910-L914 WeakPolarHBondContact O-CG 3.17Å; F910-L914 PolarHBondContact O-N 2.96Å
911E64.8Low55.8Low91 Ų91114.3 Ų114.343%0.42560%0.596SS.*Hα-helixtrans-62.3-39.7175.5-70.1164.5179.800112.2Q907 T915Q907-E911 WeakPolarHBondContact CG-OE1 3.36Å; Q907-E911 PolarHBondContact NE2-OE1 2.97Å; Q907-E911 WeakPolarHBondContact O-CG 3.41Å; Q907-E911 PolarHBondContact O-N 2.9Å; E911-T915 WeakPolarHBondContact O-CB 3.31Å; E911-T915 WeakPolarHBondContact O-CG2 3.3Å; E911-T915 PolarHBondContact O-N 3.39Å; E911-T915 PolarHBondContact O-OG1 2.94Å
912R55.2Low53.9Low151 Ų151113.4 Ų113.457%0.5760%0.596SS**Hα-helixtrans-68.6-29.1173.1-172.5175.3-69.6152.1-0.9113.3M908 R909 F910 T915M908-R912 WeakPolarHBondContact O-CB 3.38Å; M908-R912 PolarHBondContact O-N 2.73Å; R909-R912 PolarHBondContact O-N 2.73Å; F910-R912 PolarHBondContact O-N 2.88Å; R912-T915 VanDerWaalsContact CA-OG1 3.31Å; R912-T915 WeakPolarHBondContact CA-OG1 3.36Å; R912-T915 PolarHBondContact O-OG1 2.69Å
913T64.7Low51.8Low88 Ų88114.8 Ų114.854%0.5460%0.604SS.*Hα-helixtrans-77.3-39.1176.7-57.40000111R909 F910 S917R909-T913 VanDerWaalsContact O-CB 3.31Å; R909-T913 WeakPolarHBondContact O-CB 3.21Å; R909-T913 PolarHBondContact O-N 3.37Å; R909-T913 PolarHBondContact O-OG1 2.72Å; F910-T913 PolarHBondContact O-N 3.28Å; F910-T913 VanDerWaalsContact O-N 3.12Å; T913-S917 PolarHBondContact O-N 3.41Å; T913-S917 PolarHBondContact O-OG 2.85Å
914L44.8Very low49.4Very low112 Ų112116.9 Ų116.959%0.58662%0.616SS**Hα-helixtrans-65.9-40.2174.6-71.9172.4000112.2F910 F916F910-L914 HydrophobicContact CD1-CD1 3.83Å; F910-L914 HydrophobicContact CE1-CD1 3.59Å; F910-L914 HydrophobicContact CE1-CG 4.43Å; F910-L914 HydrophobicContact CZ-CD1 4.22Å; F910-L914 WeakPolarHBondContact O-CG 3.17Å; F910-L914 PolarHBondContact O-N 2.96Å; L914-F916 VanDerWaalsContact C-N 3.27Å; L914-F916 PolarHBondContact O-N 2.97Å
915T43.7Very low47.2Very low105 Ų105117 Ų11764%0.64462%0.623SS**THydrogen-bonded Turntrans-71.8-12.5-179430000115E911 R912E911-T915 WeakPolarHBondContact O-CB 3.31Å; E911-T915 WeakPolarHBondContact O-CG2 3.3Å; E911-T915 PolarHBondContact O-N 3.39Å; E911-T915 PolarHBondContact O-OG1 2.94Å; R912-T915 VanDerWaalsContact CA-OG1 3.31Å; R912-T915 WeakPolarHBondContact CA-OG1 3.36Å; R912-T915 PolarHBondContact O-OG1 2.69Å
916F39.3Very low45.2Very low175 Ų175120.3 Ų120.377%0.76865%0.647SS**THydrogen-bonded Turntrans-1141.9177.7-81.9-83000115.4L914 G918L914-F916 VanDerWaalsContact C-N 3.27Å; L914-F916 PolarHBondContact O-N 2.97Å; F916-G918 PolarHBondContact O-N 3.36Å
917S34.6Very low42.8Very low101 Ų101124.2 Ų124.271%0.70666%0.655SS**  trans-85.246.4175.4-62.50000112.7T913T913-S917 PolarHBondContact O-N 3.41Å; T913-S917 PolarHBondContact O-OG 2.85Å
918G37Very low40.6Very low61 Ų61127.4 Ų127.463%0.62967%0.67SS**SBendtrans-139.383.3-17300000113.2F916F916-G918 PolarHBondContact O-N 3.36Å
919V31.3Very low38.9Very low149 Ų149128.2 Ų128.290%0.90368%0.684SS**  trans67.4104.2178.5-171.60000115.1
920Q28.7Very low37.1Very low174 Ų174129.5 Ų129.581%0.81370%0.696SS**  trans-130.1104.1151.3-167.5176.82700110.3N922Q920-N922 WeakPolarHBondContact CG-OD1 2.86Å; Q920-N922 PolarHBondContact NE2-OD1 2.88Å
921G27.8Very low35.5Very low72 Ų72131.5 Ų131.574%0.74271%0.707SS**  trans-115.5116.4161.900000108
922N27.9Very low33.7Very low113 Ų113132.1 Ų132.160%0.60472%0.722SS**  trans-79138.3-166.6-62.5-42.7000113Q920Q920-N922 WeakPolarHBondContact CG-OD1 2.86Å; Q920-N922 PolarHBondContact NE2-OD1 2.88Å
923H26Very low32.5Very low171 Ų171130.2 Ų130.279%0.79273%0.726SS**  -175129.8112.5-113.7-86.8000116.5
924S24.6Very low30.9Very low99 Ų99134 Ų13469%0.69274%0.738SS**  trans37.7125.5146.151.90000123.5
925E25.9Very low30.2Very low160 Ų160133.9 Ų133.975%0.74875%0.746SS**  trans-72.1174.1154.3-56-164.2139.200113
926P30.4Very low29.7Very low127 Ų127133.3 Ų133.383%0.82575%0.752SS**  -143.2127.988.734.9-17.6000117.6
927R23.9Very low29.3Very low188 Ų188136 Ų13671%0.70976%0.757SS**  trans30.4134.4144.8-74.4-170.4170.7-156.6-0.5124.5
928Q28.2Very low29.2Very low169 Ų169137.9 Ų137.979%0.7976%0.758SS**  trans73.6143.2140.6-71170.9-22.200118.6
929S27.2Very low28.9Very low105 Ų105142.1 Ų142.173%0.73477%0.767SS**  cis-154142.34.655.90000115.6
930Q29.9Very low29Very low172 Ų172139.7 Ų139.780%0.80476%0.756SS**  trans51.4115.4151-60.8-168.818.600123
931H29.2Very low29.2Very low179 Ų179139.6 Ų139.683%0.82976%0.758SS**  -177114.5115.5-86-60000107.3
932S28.2Very low29.5Very low104 Ų104143 Ų14373%0.72776%0.759SS**  49.512591-135.50000114.2
933V29.7Very low29.5Very low110 Ų110143.7 Ų143.767%0.66777%0.773SS**  cis-151.4158.428.1-150.30000113.2
934H31.4Very low29.9Very low168 Ų168141 Ų14178%0.77877%0.773SS**  trans101.8117.7153.9-64.9-60.2000121.9
935S29.8Very low30.3Very low109 Ų109142 Ų14276%0.76278%0.781SS**  trans65.298.8151.5-55.90000118.4
936A31.6Very low30.7Very low93 Ų93140.2 Ų140.277%0.76978%0.78SS**  77.4105.278.700000111.8
937R31.3Very low30.8Very low231 Ų231140.9 Ų140.987%0.87278%0.782SS**  cis66.1129.144.3-140.9-169.8178.6162.51.5109.7
938L32Very low31.5Very low141 Ų141138.4 Ų138.474%0.73879%0.787SS**  cis-135.116132.3-71.6142.3000114.4
939D31.1Very low31.5Very low150 Ų150137.3 Ų137.380%0.80279%0.787SS**  trans-141.9146.5156.8-165.8-10.3000107.4
940S34.3Very low32Very low98 Ų98138 Ų13869%0.68579%0.792SS**  trans59153.2-174.8-58.90000115.6
941M33.4Very low32Very low172 Ų172132.5 Ų132.585%0.84778%0.782SS**  cis-153.2174.516.6-146.9164.269.400111.3
942D32.4Very low32.2Very low143 Ų143134.7 Ų134.777%0.76579%0.789SS**  trans-71.7163.5-173.9-46.3-96.8000115.9
943S28.6Very low32.8Very low128 Ų128137 Ų13790%0.89579%0.793SS**  -160.7139127.1-820000111.8
944S35Very low32.7Very low115 Ų115136.3 Ų136.380%0.80479%0.793SS**  trans-92.3149.4176.555.70000112.2
945S31.9Very low32.8Very low121 Ų121134.8 Ų134.885%0.84680%0.798SS**  trans-131.4109.9154.949.10000110.6
946V35.2Very low33.2Very low122 Ų122139.7 Ų139.774%0.73980%0.8SS**  trans-98.2127.1165.7161.70000106.9V948V946-V948 HydrophobicContact CG1-CG2 3.63Å
947T31.7Very low33.5Very low140 Ų140142.3 Ų142.386%0.85981%0.807SS**  trans-104.3117.816442.40000109
948V39.1Very low33.9Very low136 Ų136141.9 Ų141.982%0.82481%0.805SS**  trans-112.788.5167.9-175.40000108.1V946V946-V948 HydrophobicContact CG1-CG2 3.63Å
949D29Very low34.3Very low146 Ų146143.3 Ų143.378%0.78181%0.808SS**  trans-155.2131.4150.7-167.17.3000110.5
950S37.8Very low34.4Very low121 Ų121141.8 Ų141.885%0.84681%0.809SS**  trans171.981.7156.7-810000110
951G30.1Very low34.2Very low56 Ų56146 Ų14658%0.57782%0.823SS**  trans42.9103.7148.600000119.9N953G951-N953 PolarHBondContact O-N 3.46Å
952F32.5Very low34.1Very low225 Ų225142.4 Ų142.499%0.98782%0.82SS**SBendtrans-71.357.4156.3-168.2-96.3000111
953N40.1Very low33.9Very low152 Ų152141 Ų14181%0.81382%0.822SS**  trans-15889.6171.2-141.6-7.5000111.1G951G951-N953 PolarHBondContact O-N 3.46Å
954S29Very low34Very low96 Ų96142.4 Ų142.467%0.67182%0.819SS**  trans-141.9123.3171.1-89.50000109.7R956S954-R956 PolarHBondContact O-N 3.3Å
955P33.7Very low33.9Very low135 Ų135143.2 Ų143.288%0.87782%0.82SS**SBendtrans-82.751.7-167.534.7-38.1000113
956R37.9Very low33.9Very low212 Ų212143 Ų14380%0.882%0.818SS**  trans-131.120.1-173.7-91.3-178.7169.2156.4-5.5115.5S954S954-R956 PolarHBondContact O-N 3.3Å
957T38.5Very low33.6Very low148 Ų148142.4 Ų142.491%0.90882%0.82SS**SBendtrans-123.722.5175.7-27.20000113.7
958R38.3Very low33.7Very low222 Ų222142.7 Ų142.784%0.83881%0.814SS**SBendtrans-110.1133.3161.8-164174.8-174.5-129.43106.5
959E39.8Very low33.4Very low172 Ų172142.8 Ų142.880%0.80482%0.815SS**SBendtrans67.686.9-173-52.3-175.9178.800115.6
960S34Very low33.6Very low118 Ų118144.8 Ų144.883%0.82582%0.82SS**  trans174.167138.1-81.10000114.3
961L30.3Very low33.2Very low185 Ų185144.1 Ų144.197%0.96982%0.815SS**  trans-144.753.4154-83-170.5000110.9
962A30.5Very low33Very low97 Ų97148.4 Ų148.480%0.80282%0.824SS**  trans-88.8138.3163.100000109.8
963S28.8Very low33Very low113 Ų113149.5 Ų149.579%0.7982%0.822SS**  trans-59.6140.2-178.6-50.40000113.3
964N30.4Very low32.9Very low158 Ų158152.7 Ų152.785%0.84582%0.823SS**  trans-160.6105.2151.8-104.9-42000113.4
965T32.7Very low33.1Very low132 Ų132155.7 Ų155.781%0.8183%0.826SS**  trans-124104.5157.451.90000109.7
966S32.9Very low32.8Very low116 Ų116156 Ų15681%0.81182%0.82SS**  trans51.280.2160.161.50000117.9
967S27.5Very low32.5Very low111 Ų111154.6 Ų154.678%0.77683%0.828SS**  -84.9126.9126.5177.90000108
968I33.9Very low32Very low145 Ų145151.8 Ų151.874%0.74482%0.819SS**  trans178.391.6155.1-95.1151.6000108.4
969V34Very low31.7Very low139 Ų139149.5 Ų149.584%0.84282%0.823SS**  trans-150.457.7158.1-167.10000109.2
970E33.7Very low31.1Very low188 Ų188146.7 Ų146.788%0.87982%0.822SS**  trans-162.960.7166.1-15364.2-91.100113.7
971S28.5Very low31.4Very low107 Ų107147.1 Ų147.175%0.74882%0.822SS**  trans-149.447.7-179.373.20000115.8
972N25.9Very low31.2Very low145 Ų145141.3 Ų141.378%0.77581%0.808SS**  trans-146.183.9163.2-161-11.1000114.6
973R32.1Very low31.1Very low248 Ų248145 Ų14594%0.93681%0.808SS**  trans-147.897.3152.1-156.8170.3-169.2158.12.7110.9
974R37.9Very low31.2Very low220 Ų220146.6 Ų146.683%0.8381%0.807SS**  trans-74.3144.4172.2-62179.5173.8-139.90.5110.4
975Q33.2Very low31Very low159 Ų159143.9 Ų143.974%0.74380%0.8SS**  161.3154104.1-89.8-157.3-13.900115.1
976N27.2Very low30.9Very low141 Ų141143.5 Ų143.575%0.75480%0.798SS**  trans78.9115.1153.9-57.3-25.5000120.7
977L32.7Very low30.7Very low182 Ų182143.8 Ų143.895%0.95380%0.795SS**  trans-95.3136156.2-83.7158.3000108.9
978A28.4Very low30.9Very low89 Ų89145.1 Ų145.174%0.73680%0.798SS**  trans-161.4125.316800000113.7
979L31.2Very low30.6Very low174 Ų174141.8 Ų141.891%0.91180%0.8SS**  trans66.8126.3148.5-54.6174.7000121.9
980S26.9Very low30.4Very low113 Ų113141.3 Ų141.379%0.7980%0.803SS**  trans-88.2-174.1155.5-43.20000110.1
981P40.5Very low30.1Very low127 Ų127135.2 Ų135.283%0.82579%0.791SS**  cis-125.8178.7-7.840.3-23.5000114.1
982G25.7Very low30.8Very low64 Ų64136.3 Ų136.366%0.6680%0.795SS**  trans-95.9-171.9-173.400000116.4
983H30Very low32Very low175 Ų175134.4 Ų134.481%0.8179%0.791SS**  trans-161.8125.1169.6-120.5-101.8000114
984L30Very low32Very low145 Ų145133 Ų13376%0.75979%0.792SS**  trans61.7150.9146.6-63.5176.3000125.6
985S26.5Very low31.8Very low101 Ų101126.9 Ų126.971%0.70678%0.783SS**  trans77.1137.8152.4-630000119.3
986T30.2Very low31.9Very low124 Ų124128.6 Ų128.676%0.76179%0.788SS**  cis-156.4159.6-2.240000113
987T29.6Very low32.1Very low123 Ų123133.3 Ų133.376%0.75580%0.796SS**  trans-24.3152.8158.557.70000117.5
988T29.9Very low32Very low138 Ų138128.9 Ų128.985%0.84779%0.785SS**  cis-148.3176.931.949.80000111.3
989G27.6Very low32.1Very low76 Ų76130.9 Ų130.978%0.78479%0.788SS**  cis134.583.4-9.800000115.8
990S30.1Very low32.1Very low128 Ų128127.5 Ų127.590%0.89578%0.779SS**  trans-167143153.8-166.30000112.3
991G28.5Very low32.2Very low61 Ų61130.3 Ų130.363%0.62978%0.779SS**  trans-122.7-141.2171.200000110.8
992P43.7Very low31.7Very low129 Ų129129.9 Ų129.984%0.83878%0.78SS**  cis-135.2-138.52.445.4-23.7000112.2
993P51Low31.9Very low105 Ų105131.6 Ų131.668%0.68279%0.787SS**  trans-131.9-178.7-130.138.8-16000117
994F32.3Very low31.9Very low218 Ų218129.7 Ų129.796%0.95679%0.788SS**  trans-156.2168.3150.9-98.6-64.7000111.8
995S33.3Very low32Very low93 Ų93129.2 Ų129.265%0.6579%0.791SS**  trans-158.7162.1-159.9-165.40000116.4
996F35.5Very low32.2Very low195 Ų195133 Ų13386%0.85580%0.798SS**  trans63.6160.9175.8-71.7-78.3000116.8
997R30Very low32.2Very low240 Ų240136 Ų13691%0.90680%0.804SS**  cis-148176.518.4-151.3-175.9-167.5-157.74.9112
998A31.4Very low32.3Very low89 Ų89138.9 Ų138.974%0.73681%0.808SS**  trans-128.4160.7-17800000114.5
999V30.9Very low32.5Very low131 Ų131140.9 Ų140.979%0.79481%0.805SS**  trans-154.2119.5169.7-174.90000104.4
1000S30.7Very low32.7Very low103 Ų103144.1 Ų144.172%0.7280%0.804SS**  60.7146.278.5-50.70000114.1
1001E29Very low32.8Very low171 Ų171146.1 Ų146.180%0.79980%0.799SS**  cis-177.5151.5-15163.6167.2-158.800108.3
1002S29.7Very low33Very low119 Ų119152.4 Ų152.483%0.83281%0.809SS**  168.5133.5128.845.20000114.2
1003A31Very low33Very low99 Ų99151.4 Ų151.482%0.81880%0.802SS**  trans-150.8139.5157.600000108.3
1004T30.1Very low32.1Very low136 Ų136152 Ų15283%0.83481%0.805SS**  trans-138150.3175.947.60000108.4
1005T31.1Very low32Very low134 Ų134147.3 Ų147.382%0.82279%0.794SS**  cis-142.2158.814.8-27.20000110.7
1006Q30.5Very low31.8Very low180 Ų180147.9 Ų147.984%0.84180%0.797SS**  trans-114.6147.5167.6-81.4-167.9-4.100111.8
1007Q31.4Very low31.6Very low189 Ų189146.5 Ų146.588%0.88380%0.797SS**  trans-171.4156.1135.9-99.2154-1.800107.7
1008E30.8Very low31.7Very low182 Ų182139 Ų13985%0.8579%0.786SS**  cis-139.6-17512.4-146.2179.1145.900112.5
1009K33.8Very low31.7Very low181 Ų181139.8 Ų139.879%0.78779%0.786SS**  trans-104.9152.7-177.7-53.8168-180169.60111.2
1010L32.2Very low31.9Very low143 Ų143140.8 Ų140.875%0.74979%0.786SS**  -171.9150.8106.9-127.961.1000115.9
1011Q31.6Very low32.1Very low171 Ų171142.4 Ų142.480%0.79979%0.792SS**  trans32.5122.9150.8-81.7165.7-37.400124.3
1012K32.4Very low32.4Very low193 Ų193139.2 Ų139.284%0.83979%0.788SS**  trans-67.1169144.3-68.8-178.5177.8-178.50110.2
1013P44.9Very low32.9Very low107 Ų107143.9 Ų143.970%0.69581%0.811SS**  cis-156168.533.244.1-21.9000122
1014T31.4Very low33Very low119 Ų119146.1 Ų146.173%0.7381%0.811SS**  trans70.7156141.542.80000124.2
1015T30.3Very low33.1Very low119 Ų119146.6 Ų146.673%0.7381%0.809SS**  trans7898.2149.737.50000121.4
1016C29.3Very low33.2Very low105 Ų105147.3 Ų147.371%0.70981%0.809SS**  82.3120115.1-70.30000123.3
1017L31.1Very low33.4Very low166 Ų166145.4 Ų145.487%0.86981%0.807SS**  83.7138127.1-68.3171.3000122.1
1018A32.7Very low33.5Very low82 Ų82142.7 Ų142.768%0.67880%0.802SS**  trans7696.4138.400000121.5
1019S30.5Very low33.7Very low105 Ų105140.1 Ų140.173%0.73480%0.799SS**  61.3125.7102.8-57.10000122.6
1020I34.5Very low33.7Very low153 Ų153137.1 Ų137.179%0.78580%0.8SS**  trans72.4112.6146.3-51.3150.4000117.4
1021T36.7Very low33.8Very low137 Ų137136.7 Ų136.784%0.8480%0.803SS**  -172.6160.2112.418.60000111.9
1022S34.3Very low34Very low104 Ų104133.8 Ų133.873%0.72780%0.804SS**  trans-64.2148-179.451.80000115.7
1023V39.6Very low34.1Very low216 Ų216128.5 Ų128.5100%1.30980%0.801SS**  -128.8098.8179.70000107.6

Retrieved 1,023 of 1,023 residues in 160.5 ms (Link to these results)

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