A0A087YRI0_POEFO Loading...

Family with sequence similarity 110 member C

AlphaFold DB , UniProt , Accession A0A087YRI0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 333 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
1S47Very low61.5Low170 Ų170109.7 Ų109.7100%1.18963%0.631SS**  088.20-173.30000106.8
2S53Low63.1Low79 Ų79108.4 Ų108.455%0.55263%0.629SS**  trans-154.424.4-148.6-51.50000114.8K6S2-K6 WeakPolarHBondContact O-CE 3.32Å
3D54.4Low64.5Low101 Ų101108.8 Ų108.854%0.5462%0.622SS.*SBendtrans-123.4-23.3-167-63.6-74.6000115.2K6D3-K6 PolarHBondContact O-N 3.23Å; D3-K6 IonicContact OD1-NZ 2.67Å; D3-K6 PolarHBondContact OD1-NZ 3.11Å
4T54.7Low65.9Low118 Ų118107 Ų10772%0.72460%0.601SS**THydrogen-bonded Turntrans-68.6-35179.749.40000113.3K6 I7T4-K6 PolarHBondContact O-N 3.44Å; T4-I7 PolarHBondContact O-N 2.67Å
5T56.5Low66.9Low102 Ų102106.2 Ų106.263%0.62659%0.594SS**Hα-helixtrans-61.8-26178.652.10000113I7T5-I7 VanDerWaalsContact C-N 3.34Å; T5-I7 PolarHBondContact O-N 2.84Å
6K61.4Low67.8Low101 Ų101107 Ų10744%0.43959%0.585SS.*Hα-helixtrans-64.6-38.5-176.2-65170.7-174.8167.40111.8S2 D3 T4 K10S2-K6 WeakPolarHBondContact O-CE 3.32Å; D3-K6 PolarHBondContact O-N 3.23Å; D3-K6 IonicContact OD1-NZ 2.67Å; D3-K6 PolarHBondContact OD1-NZ 3.11Å; T4-K6 PolarHBondContact O-N 3.44Å; K6-K10 WeakPolarHBondContact O-CD 3.49Å; K6-K10 WeakPolarHBondContact O-CE 3.45Å; K6-K10 PolarHBondContact O-NZ 3.14Å
7I61.9Low68.5Low89 Ų89109.6 Ų109.646%0.45659%0.589SS.*Hα-helixtrans-71.8-39.4-169.7-59.6175.7000112T4 T5 E9 K10T4-I7 PolarHBondContact O-N 2.67Å; T5-I7 VanDerWaalsContact C-N 3.34Å; T5-I7 PolarHBondContact O-N 2.84Å; I7-E9 PolarHBondContact O-N 2.75Å; I7-E9 VanDerWaalsContact O-N 3.14Å; I7-K10 PolarHBondContact O-N 2.93Å; I7-K10 VanDerWaalsContact O-N 3.14Å
8L61.3Low69.1Low163 Ų163107.6 Ų107.685%0.85358%0.575SS**Hα-helixtrans-62.6-23.2-173.6-65.3173.6000114.3
9E69.1Low69.3Low157 Ų157109.5 Ų109.573%0.73458%0.582SS**THydrogen-bonded Turntrans-88.3-9.4-177.9-169.6-172.8-135.500112.9I7I7-E9 PolarHBondContact O-N 2.75Å; I7-E9 VanDerWaalsContact O-N 3.14Å
10K76.8Confident69.7Low81 Ų81109.4 Ų109.435%0.35258%0.578SS.*SBendtrans-107.2125.8-171.8-78.284.2-167.5162.60111.8K6 I7 Y14K6-K10 WeakPolarHBondContact O-CD 3.49Å; K6-K10 WeakPolarHBondContact O-CE 3.45Å; K6-K10 PolarHBondContact O-NZ 3.14Å; I7-K10 PolarHBondContact O-N 2.93Å; I7-K10 VanDerWaalsContact O-N 3.14Å; K10-Y14 HydrophobicContact CB-CD1 3.38Å; K10-Y14 HydrophobicContact CB-CE1 4.18Å; K10-Y14 HydrophobicContact CB-CG 3.6Å; K10-Y14 HydrophobicContact CG-CD1 4Å; K10-Y14 HydrophobicContact CG-CD2 4.46Å; K10-Y14 HydrophobicContact CG-CG 3.98Å
11G80.8Confident69.9Low46 Ų46109.2 Ų109.247%0.47458%0.577SS.*  trans-65.8174.2179.100000114.5E13 Y14G11-E13 PolarHBondContact O-N 3.43Å; G11-Y14 WeakPolarHBondContact O-CB 3.42Å; G11-Y14 PolarHBondContact O-N 2.82Å
12P79.8Confident70.9Confident94 Ų94106.4 Ų106.461%0.6155%0.545SS*.Hα-helixtrans-59.3-22.1-170.423.5-35000115Y14 L15 R16P12-Y14 VanDerWaalsContact C-N 3.29Å; P12-Y14 PolarHBondContact O-N 2.81Å; P12-L15 PolarHBondContact O-N 3.13Å; P12-R16 PolarHBondContact O-N 2.92Å; P12-R16 VanDerWaalsContact O-N 3.13Å
13E82.3Confident71.3Confident114 Ų114103.4 Ų103.453%0.53353%0.527SS..Hα-helixtrans-61-35.2173.6-58.3-54.911500112.9G11 R16 K17G11-E13 PolarHBondContact O-N 3.43Å; E13-R16 VanDerWaalsContact CD-NH1 3.29Å; E13-R16 PolarHBondContact O-N 3.22Å; E13-R16 IonicContact OE1-CZ 2.66Å; E13-R16 IonicContact OE1-NH1 2.86Å; E13-R16 PolarHBondContact OE1-NH1 3.41Å; E13-R16 IonicContact OE1-NH2 2.69Å; E13-R16 PolarHBondContact OE1-NH2 3.13Å; E13-R16 IonicContact OE2-CZ 2.65Å; E13-R16 IonicContact OE2-NH1 3.15Å; E13-R16 PolarHBondContact OE2-NH1 2.87Å; E13-R16 IonicContact OE2-NH2 3.69Å; E13-K17 WeakPolarHBondContact O-CB 3.49Å; E13-K17 PolarHBondContact O-N 3.4Å
14Y83.9Confident71.6Confident83 Ų83106.2 Ų106.233%0.32554%0.536SS..Hα-helixtrans-67.1-44.2177.9170.7-117.5000111.6K10 G11 P12 R16 K17 Q18K10-Y14 HydrophobicContact CB-CD1 3.38Å; K10-Y14 HydrophobicContact CB-CE1 4.18Å; K10-Y14 HydrophobicContact CB-CG 3.6Å; K10-Y14 HydrophobicContact CG-CD1 4Å; K10-Y14 HydrophobicContact CG-CD2 4.46Å; K10-Y14 HydrophobicContact CG-CG 3.98Å; G11-Y14 WeakPolarHBondContact O-CB 3.42Å; G11-Y14 PolarHBondContact O-N 2.82Å; P12-Y14 VanDerWaalsContact C-N 3.29Å; P12-Y14 PolarHBondContact O-N 2.81Å; Y14-R16 VanDerWaalsContact C-N 3.34Å; Y14-R16 PolarHBondContact O-N 3.43Å; Y14-K17 PolarHBondContact O-N 2.91Å; Y14-Q18 VanDerWaalsContact CZ-OE1 3.23Å; Y14-Q18 WeakPolarHBondContact O-CB 3.3Å; Y14-Q18 PolarHBondContact O-N 3.09Å; Y14-Q18 PolarHBondContact OH-OE1 2.94Å
15L80.1Confident71.7Confident95 Ų95105.9 Ų105.950%0.49753%0.534SS..Hα-helixtrans-62.3-41.9175.9-64.7174.3000111.2P12 Q18 M19P12-L15 PolarHBondContact O-N 3.13Å; L15-Q18 PolarHBondContact O-N 3.26Å; L15-M19 WeakPolarHBondContact O-CG 3.43Å; L15-M19 PolarHBondContact O-N 3.17Å
16R81.3Confident71.8Confident119 Ų119109 Ų10945%0.44954%0.54SS..Hα-helixtrans-62.5-48.6175.5-162.8-172.1-52.3120.417.3111.6P12 E13 Y14 Q18 M19 E20P12-R16 PolarHBondContact O-N 2.92Å; P12-R16 VanDerWaalsContact O-N 3.13Å; E13-R16 VanDerWaalsContact CD-NH1 3.29Å; E13-R16 PolarHBondContact O-N 3.22Å; E13-R16 IonicContact OE1-CZ 2.66Å; E13-R16 IonicContact OE1-NH1 2.86Å; E13-R16 PolarHBondContact OE1-NH1 3.41Å; E13-R16 IonicContact OE1-NH2 2.69Å; E13-R16 PolarHBondContact OE1-NH2 3.13Å; E13-R16 IonicContact OE2-CZ 2.65Å; E13-R16 IonicContact OE2-NH1 3.15Å; E13-R16 PolarHBondContact OE2-NH1 2.87Å; E13-R16 IonicContact OE2-NH2 3.69Å; Y14-R16 VanDerWaalsContact C-N 3.34Å; Y14-R16 PolarHBondContact O-N 3.43Å; R16-Q18 VanDerWaalsContact C-N 3.25Å; R16-Q18 PolarHBondContact O-N 2.86Å; R16-M19 WeakPolarHBondContact O-CB 3.37Å; R16-M19 PolarHBondContact O-N 3.37Å; R16-M19 VanDerWaalsContact O-N 3.16Å; R16-E20 WeakPolarHBondContact O-CG 3.42Å; R16-E20 PolarHBondContact O-N 2.7Å
17K80.9Confident71.8Confident152 Ų152107 Ų10766%0.66155%0.547SS*.Hα-helixtrans-62.4-32.3178.1-169.5169.8-175.2174.50112.6E13 Y14 L21E13-K17 WeakPolarHBondContact O-CB 3.49Å; E13-K17 PolarHBondContact O-N 3.4Å; Y14-K17 PolarHBondContact O-N 2.91Å; K17-L21 WeakPolarHBondContact O-CB 3.46Å; K17-L21 PolarHBondContact O-N 2.92Å
18Q77.8Confident72.1Confident73 Ų73112 Ų11234%0.34156%0.56SS.*Hα-helixtrans-75.3-35.9175.3-165.2157.3-53.400112.3Y14 L15 R16 E20 L21 E22Y14-Q18 VanDerWaalsContact CZ-OE1 3.23Å; Y14-Q18 WeakPolarHBondContact O-CB 3.3Å; Y14-Q18 PolarHBondContact O-N 3.09Å; Y14-Q18 PolarHBondContact OH-OE1 2.94Å; L15-Q18 PolarHBondContact O-N 3.26Å; R16-Q18 VanDerWaalsContact C-N 3.25Å; R16-Q18 PolarHBondContact O-N 2.86Å; Q18-E20 VanDerWaalsContact C-N 3.32Å; Q18-E20 PolarHBondContact O-N 3.09Å; Q18-L21 PolarHBondContact O-N 3.04Å; Q18-E22 WeakPolarHBondContact O-CB 3.45Å; Q18-E22 WeakPolarHBondContact O-CG 2.9Å; Q18-E22 PolarHBondContact O-N 2.91Å
19M73.4Confident72.4Confident143 Ų143109.2 Ų109.270%0.70454%0.544SS*.Hα-helixtrans-64.4-34.7169.2-71.3176.165.500112.8L15 R16 G23L15-M19 WeakPolarHBondContact O-CG 3.43Å; L15-M19 PolarHBondContact O-N 3.17Å; R16-M19 WeakPolarHBondContact O-CB 3.37Å; R16-M19 PolarHBondContact O-N 3.37Å; R16-M19 VanDerWaalsContact O-N 3.16Å; M19-G23 WeakPolarHBondContact O-CA 3.49Å; M19-G23 PolarHBondContact O-N 3.23Å
20E77.1Confident73Confident108 Ų108104.6 Ų104.651%0.50553%0.529SS..Hα-helixtrans-65.7-50.8173.2-72.6161.6-175.600110.4R16 Q18 G23 E24R16-E20 WeakPolarHBondContact O-CG 3.42Å; R16-E20 PolarHBondContact O-N 2.7Å; Q18-E20 VanDerWaalsContact C-N 3.32Å; Q18-E20 PolarHBondContact O-N 3.09Å; E20-G23 CarbonylContact O-C 3.29Å; E20-G23 WeakPolarHBondContact O-CA 3.09Å; E20-G23 PolarHBondContact O-N 3.43Å; E20-G23 VanDerWaalsContact O-N 3.17Å; E20-E24 PolarHBondContact O-N 3.29Å
21L74.6Confident73.3Confident106 Ų106104.2 Ų104.256%0.55554%0.541SS*.Hα-helixtrans-67.1-44.1-178.8-16976.2000113.8K17 Q18 G23 E24 T25K17-L21 WeakPolarHBondContact O-CB 3.46Å; K17-L21 PolarHBondContact O-N 2.92Å; Q18-L21 PolarHBondContact O-N 3.04Å; L21-G23 PolarHBondContact O-N 3.05Å; L21-E24 PolarHBondContact O-N 3.18Å; L21-E24 VanDerWaalsContact O-N 3.15Å; L21-T25 WeakPolarHBondContact O-CG2 3.34Å; L21-T25 PolarHBondContact O-N 3.14Å; L21-T25 PolarHBondContact O-OG1 2.83Å
22E66.9Low73.5Confident111 Ų111107.3 Ų107.352%0.51955%0.551SS.*Hα-helixtrans-62-37.6170.4-78-173.2-151.700110.8Q18 E24 T25 K26Q18-E22 WeakPolarHBondContact O-CB 3.45Å; Q18-E22 WeakPolarHBondContact O-CG 2.9Å; Q18-E22 PolarHBondContact O-N 2.91Å; E22-E24 PolarHBondContact O-N 3.14Å; E22-T25 WeakPolarHBondContact CA-OG1 3.23Å; E22-T25 PolarHBondContact O-OG1 3.48Å; E22-K26 WeakPolarHBondContact O-CB 3.42Å; E22-K26 PolarHBondContact O-N 3.3Å
23G61.8Low73.8Confident16 Ų16108 Ų10817%0.16555%0.546CS..Hα-helixtrans-68.9-15175.200000114.3M19 E20 L21 R28M19-G23 WeakPolarHBondContact O-CA 3.49Å; M19-G23 PolarHBondContact O-N 3.23Å; E20-G23 CarbonylContact O-C 3.29Å; E20-G23 WeakPolarHBondContact O-CA 3.09Å; E20-G23 PolarHBondContact O-N 3.43Å; E20-G23 VanDerWaalsContact O-N 3.17Å; L21-G23 PolarHBondContact O-N 3.05Å; G23-R28 VanDerWaalsContact O-CG 3.28Å; G23-R28 WeakPolarHBondContact O-CG 3.39Å; G23-R28 PolarHBondContact O-NE 2.98Å
24E60.6Low74.2Confident159 Ų159110.3 Ų110.374%0.74355%0.55SS*.Hα-helixtrans-99.8-39.6178.4-163.7159.3-128.100111E20 L21 E22E20-E24 PolarHBondContact O-N 3.29Å; L21-E24 PolarHBondContact O-N 3.18Å; L21-E24 VanDerWaalsContact O-N 3.15Å; E22-E24 PolarHBondContact O-N 3.14Å
25T57.4Low74.3Confident111 Ų111112.1 Ų112.168%0.68156%0.564SS**Hα-helixtrans-74.4-34.3175.951.70000113.6L21 E22 G27L21-T25 WeakPolarHBondContact O-CG2 3.34Å; L21-T25 PolarHBondContact O-N 3.14Å; L21-T25 PolarHBondContact O-OG1 2.83Å; E22-T25 WeakPolarHBondContact CA-OG1 3.23Å; E22-T25 PolarHBondContact O-OG1 3.48Å; T25-G27 VanDerWaalsContact C-N 3.33Å; T25-G27 PolarHBondContact O-N 2.91Å; T25-G27 VanDerWaalsContact O-N 3.09Å
26K57.9Low74.5Confident169 Ų169110.4 Ų110.474%0.73556%0.564SS**SBendtrans-86.776.7175.3-162.8170.9-169.2166.50109.8E22 R28E22-K26 WeakPolarHBondContact O-CB 3.42Å; E22-K26 PolarHBondContact O-N 3.3Å; K26-R28 PolarHBondContact O-N 3.46Å; K26-R28 VanDerWaalsContact O-N 3.11Å
27G62.3Low74.8Confident58 Ų58108.4 Ų108.460%0.59857%0.573SS**  trans-32.8111.1-172.700000113.6T25 M29T25-G27 VanDerWaalsContact C-N 3.33Å; T25-G27 PolarHBondContact O-N 2.91Å; T25-G27 VanDerWaalsContact O-N 3.09Å; G27-M29 PolarHBondContact O-N 2.84Å
28R66.9Low75.3Confident193 Ų193103.3 Ų103.373%0.72856%0.556SS**  trans-75.969-171.3-61.7-168.6-167.2-164.45.7112G23 K26 S30G23-R28 VanDerWaalsContact O-CG 3.28Å; G23-R28 WeakPolarHBondContact O-CG 3.39Å; G23-R28 PolarHBondContact O-NE 2.98Å; K26-R28 PolarHBondContact O-N 3.46Å; K26-R28 VanDerWaalsContact O-N 3.11Å; R28-S30 PolarHBondContact O-N 2.78Å; R28-S30 VanDerWaalsContact O-N 3.08Å
29M68.9Low75.9Confident106 Ų106102.5 Ų102.552%0.52255%0.552SS.*  trans-50.6118.6166.648173.259.700109.3G27 E33 R34G27-M29 PolarHBondContact O-N 2.84Å; M29-E33 VanDerWaalsContact CA-OE2 3.24Å; M29-E33 WeakPolarHBondContact CA-OE2 3.41Å; M29-E33 HydrophobicContact CB-CG 4.24Å; M29-E33 VanDerWaalsContact CB-OE1 3.26Å; M29-E33 WeakPolarHBondContact CB-OE1 3.39Å; M29-R34 HydrophobicContact CB-CG 4.13Å; M29-R34 HydrophobicContact CG-CG 3.65Å; M29-R34 HydrophobicContact SD-CG 3.61Å
30S81.7Confident76.6Confident60 Ų6099.7 Ų99.742%0.4254%0.544SS..  trans-58.3156.2-173176.40000111R28 V32 E33 R34R28-S30 PolarHBondContact O-N 2.78Å; R28-S30 VanDerWaalsContact O-N 3.08Å; S30-V32 PolarHBondContact O-N 3.37Å; S30-V32 PolarHBondContact OG-N 2.91Å; S30-E33 PolarHBondContact N-OE2 2.88Å; S30-E33 WeakPolarHBondContact O-CB 3.43Å; S30-E33 PolarHBondContact O-N 3.33Å; S30-R34 WeakPolarHBondContact O-CG 3.35Å; S30-R34 PolarHBondContact O-N 3.32Å
31A82.2Confident77.2Confident73 Ų73102 Ų10260%0.60355%0.553SS**Hα-helixtrans-54.2-36.7171.700000111.5L35A31-L35 WeakPolarHBondContact O-CB 3.34Å; A31-L35 WeakPolarHBondContact O-CD1 3.43Å; A31-L35 VanDerWaalsContact O-CG 3.23Å; A31-L35 WeakPolarHBondContact O-CG 3.28Å; A31-L35 PolarHBondContact O-N 3.35Å; A31-L35 VanDerWaalsContact O-N 3.08Å
32V85.1Confident77.9Confident111 Ų111104.9 Ų104.967%0.67356%0.557SS**Hα-helixtrans-64-43.7173.9-178.90000111.8S30 L35 A36S30-V32 PolarHBondContact O-N 3.37Å; S30-V32 PolarHBondContact OG-N 2.91Å; V32-L35 PolarHBondContact O-N 2.97Å; V32-A36 WeakPolarHBondContact O-CB 3.49Å; V32-A36 PolarHBondContact O-N 3.28Å
33E87.3Confident79Confident107 Ų107101.7 Ų101.750%0.555%0.545SS..Hα-helixtrans-69.8-40.6-178.6-171.6-171.1147.800111.9M29 S30 L35 A36 A37M29-E33 VanDerWaalsContact CA-OE2 3.24Å; M29-E33 WeakPolarHBondContact CA-OE2 3.41Å; M29-E33 HydrophobicContact CB-CG 4.24Å; M29-E33 VanDerWaalsContact CB-OE1 3.26Å; M29-E33 WeakPolarHBondContact CB-OE1 3.39Å; S30-E33 PolarHBondContact N-OE2 2.88Å; S30-E33 WeakPolarHBondContact O-CB 3.43Å; S30-E33 PolarHBondContact O-N 3.33Å; E33-L35 VanDerWaalsContact C-N 3.33Å; E33-L35 PolarHBondContact O-N 3.39Å; E33-A36 PolarHBondContact O-N 3.34Å; E33-A37 WeakPolarHBondContact O-CB 3.41Å; E33-A37 PolarHBondContact O-N 3.47Å
34R89.7Confident80.3Confident164 Ų164111.5 Ų111.562%0.61958%0.583SS**Hα-helixtrans-60.5-42.6171.6-69.5-176.371-176.7-0.2111.6M29 S30 S38M29-R34 HydrophobicContact CB-CG 4.13Å; M29-R34 HydrophobicContact CG-CG 3.65Å; M29-R34 HydrophobicContact SD-CG 3.61Å; S30-R34 WeakPolarHBondContact O-CG 3.35Å; S30-R34 PolarHBondContact O-N 3.32Å; R34-S38 WeakPolarHBondContact O-CB 3.24Å; R34-S38 PolarHBondContact O-N 3.01Å; R34-S38 VanDerWaalsContact O-N 3.09Å; R34-S38 PolarHBondContact O-OG 3.15Å
35L86.3Confident81.5Confident120 Ų120106.5 Ų106.563%0.62857%0.566SS**Hα-helixtrans-64.2-48.7174.7-72.9168.3000110.7A31 V32 E33 A37 S38 K39A31-L35 WeakPolarHBondContact O-CB 3.34Å; A31-L35 WeakPolarHBondContact O-CD1 3.43Å; A31-L35 VanDerWaalsContact O-CG 3.23Å; A31-L35 WeakPolarHBondContact O-CG 3.28Å; A31-L35 PolarHBondContact O-N 3.35Å; A31-L35 VanDerWaalsContact O-N 3.08Å; V32-L35 PolarHBondContact O-N 2.97Å; E33-L35 VanDerWaalsContact C-N 3.33Å; E33-L35 PolarHBondContact O-N 3.39Å; L35-A37 PolarHBondContact O-N 3.45Å; L35-S38 PolarHBondContact O-N 3.17Å; L35-S38 VanDerWaalsContact O-N 3.17Å; L35-S38 PolarHBondContact O-OG 3.4Å; L35-K39 PolarHBondContact O-N 3.5Å
36A85.1Confident82.6Confident59 Ų59107.2 Ų107.249%0.48856%0.561SS.*Hα-helixtrans-57.3-47.9177.200000112.8V32 E33 S38 K39 P40V32-A36 WeakPolarHBondContact O-CB 3.49Å; V32-A36 PolarHBondContact O-N 3.28Å; E33-A36 PolarHBondContact O-N 3.34Å; A36-S38 VanDerWaalsContact C-N 3.29Å; A36-S38 PolarHBondContact O-N 2.83Å; A36-K39 VanDerWaalsContact O-CB 3.23Å; A36-K39 WeakPolarHBondContact O-CB 3.26Å; A36-K39 PolarHBondContact O-N 3.32Å; A36-P40 WeakPolarHBondContact O-CD 3.34Å
37A87.2Confident83.8Confident77 Ų77107.1 Ų107.164%0.63656%0.564SS**Hα-helixtrans-63.3-32.7177.400000112.9E33 L35E33-A37 WeakPolarHBondContact O-CB 3.41Å; E33-A37 PolarHBondContact O-N 3.47Å; L35-A37 PolarHBondContact O-N 3.45Å
38S90.6Very high84.6Confident46 Ų46108.1 Ų108.132%0.32256%0.558SS.*Hα-helixtrans-81.8-22.6176.776.10000114.2R34 L35 A36 K41 Y42R34-S38 WeakPolarHBondContact O-CB 3.24Å; R34-S38 PolarHBondContact O-N 3.01Å; R34-S38 VanDerWaalsContact O-N 3.09Å; R34-S38 PolarHBondContact O-OG 3.15Å; L35-S38 PolarHBondContact O-N 3.17Å; L35-S38 VanDerWaalsContact O-N 3.17Å; L35-S38 PolarHBondContact O-OG 3.4Å; A36-S38 VanDerWaalsContact C-N 3.29Å; A36-S38 PolarHBondContact O-N 2.83Å; S38-K41 VanDerWaalsContact O-CB 3.3Å; S38-K41 WeakPolarHBondContact O-CB 3.41Å; S38-K41 PolarHBondContact O-N 2.98Å; S38-Y42 WeakPolarHBondContact O-CD2 3.42Å
39K90.8Very high85.2Confident55 Ų55100.2 Ų100.224%0.23953%0.531CS..Hα-helixtrans-50.4-48.7-175.3-162.8179.1-176.6-167.70114.6L35 A36 K41 Y42 V43 V48 V49 S51L35-K39 PolarHBondContact O-N 3.5Å; A36-K39 VanDerWaalsContact O-CB 3.23Å; A36-K39 WeakPolarHBondContact O-CB 3.26Å; A36-K39 PolarHBondContact O-N 3.32Å; K39-K41 PolarHBondContact O-N 2.73Å; K39-Y42 PolarHBondContact O-N 3.11Å; K39-Y42 VanDerWaalsContact O-N 3.13Å; K39-V43 HydrophobicContact CG-CB 4.36Å; K39-V43 HydrophobicContact CG-CG2 3.8Å; K39-V43 WeakPolarHBondContact O-CB 3.37Å; K39-V43 PolarHBondContact O-N 2.8Å; K39-V48 WeakPolarHBondContact CE-O 3.23Å; K39-V48 PolarHBondContact NZ-O 3.09Å; K39-V49 WeakPolarHBondContact CE-O 3.47Å; K39-V49 PolarHBondContact NZ-O 2.89Å; K39-S51 PolarHBondContact NZ-O 3.35Å
40P87.6Confident85.7Confident85 Ų85100.5 Ų100.555%0.55254%0.535SS*.Hα-helixtrans-66.7-15.7-179.827-36.2000114.3A36 Y42 V49A36-P40 WeakPolarHBondContact O-CD 3.34Å; P40-Y42 VanDerWaalsContact C-N 3.31Å; P40-V49 HydrophobicContact CB-CG1 4.4Å
41K90.6Very high85.6Confident157 Ų157100.9 Ų100.968%0.68354%0.538SS*.Hα-helixtrans-73.5-24.1174.5-171.4179.9171.7-160.40112.6S38 K39S38-K41 VanDerWaalsContact O-CB 3.3Å; S38-K41 WeakPolarHBondContact O-CB 3.41Å; S38-K41 PolarHBondContact O-N 2.98Å; K39-K41 PolarHBondContact O-N 2.73Å
42Y88.6Confident85.1Confident166 Ų166102.7 Ų102.765%0.65154%0.541SS*.Hα-helixtrans-123-18.8-171.3-54-65.3000113.9S38 K39 P40S38-Y42 WeakPolarHBondContact O-CD2 3.42Å; K39-Y42 PolarHBondContact O-N 3.11Å; K39-Y42 VanDerWaalsContact O-N 3.13Å; P40-Y42 VanDerWaalsContact C-N 3.31Å
43V90.6Very high84.5Confident43 Ų43106.1 Ų106.126%0.26155%0.55SS..  trans-102.7110.6179.4-1800000110.4K39 S45 V48 V49K39-V43 HydrophobicContact CG-CB 4.36Å; K39-V43 HydrophobicContact CG-CG2 3.8Å; K39-V43 WeakPolarHBondContact O-CB 3.37Å; K39-V43 PolarHBondContact O-N 2.8Å; V43-S45 PolarHBondContact O-N 2.96Å; V43-V48 HydrophobicContact CG1-CB 3.64Å; V43-V48 HydrophobicContact CG1-CG1 3.65Å; V43-V49 HydrophobicContact CB-CG2 3.84Å; V43-V49 HydrophobicContact CG1-CG2 3.78Å; V43-V49 WeakPolarHBondContact O-CG2 3.49Å
44K88.4Confident83.7Confident222 Ų222108.1 Ų108.197%0.96556%0.559SS**  trans-81.1-5.3-173.1-158.8173.3-178.8179.90115.2
45S87.5Confident82.3Confident54 Ų54104.9 Ų104.938%0.37856%0.559SS.*  trans-113.3122.4179.6173.80000111.4V43 Q47 V48 V49V43-S45 PolarHBondContact O-N 2.96Å; S45-Q47 VanDerWaalsContact C-N 3.27Å; S45-Q47 PolarHBondContact O-N 3.08Å; S45-V48 PolarHBondContact O-N 3.34Å; S45-V49 PolarHBondContact O-N 2.62Å
46Q80.6Confident81.1Confident126 Ų126105.7 Ų105.759%0.58957%0.569SS**Hα-helixtrans-60.3-35.3-178.1-165.565.350.300112.8V48 V49 N50Q46-V48 VanDerWaalsContact C-N 3.28Å; Q46-V48 PolarHBondContact O-N 3.29Å; Q46-V49 PolarHBondContact O-N 3.39Å; Q46-N50 PolarHBondContact NE2-OD1 2.96Å; Q46-N50 WeakPolarHBondContact O-CB 3.41Å; Q46-N50 VanDerWaalsContact O-CG 3.27Å; Q46-N50 PolarHBondContact O-N 3.23Å; Q46-N50 PolarHBondContact O-OD1 3.17Å
47Q82.6Confident79.6Confident167 Ų167109.7 Ų109.778%0.7858%0.581SS**Hα-helixtrans-61.3-38.4176.4-173.1-179.15.500111.5S45 S51S45-Q47 VanDerWaalsContact C-N 3.27Å; S45-Q47 PolarHBondContact O-N 3.08Å; Q47-S51 PolarHBondContact O-N 3.36Å
48V78.6Confident77.8Confident79 Ų79110.8 Ų110.848%0.47958%0.583SS.*Hα-helixtrans-78.6-34.1178.3-174.70000111.1K39 V43 S45 Q46 S51K39-V48 WeakPolarHBondContact CE-O 3.23Å; K39-V48 PolarHBondContact NZ-O 3.09Å; V43-V48 HydrophobicContact CG1-CB 3.64Å; V43-V48 HydrophobicContact CG1-CG1 3.65Å; S45-V48 PolarHBondContact O-N 3.34Å; Q46-V48 VanDerWaalsContact C-N 3.28Å; Q46-V48 PolarHBondContact O-N 3.29Å; V48-S51 PolarHBondContact O-N 3.07Å
49V79.2Confident75.9Confident28 Ų28115.9 Ų115.917%0.1761%0.607CS.*Hα-helixtrans-59.2-48.9170.8174.40000110.7K39 P40 V43 S45 Q46 S51K39-V49 WeakPolarHBondContact CE-O 3.47Å; K39-V49 PolarHBondContact NZ-O 2.89Å; P40-V49 HydrophobicContact CB-CG1 4.4Å; V43-V49 HydrophobicContact CB-CG2 3.84Å; V43-V49 HydrophobicContact CG1-CG2 3.78Å; V43-V49 WeakPolarHBondContact O-CG2 3.49Å; S45-V49 PolarHBondContact O-N 2.62Å; Q46-V49 PolarHBondContact O-N 3.39Å; V49-S51 VanDerWaalsContact C-N 3.31Å; V49-S51 PolarHBondContact O-N 2.69Å
50N79.4Confident73.4Confident112 Ų112116.6 Ų116.660%0.59963%0.63SS**Hα-helixtrans-74.4-15.7-176-66.16.2000114.1Q46 T52Q46-N50 PolarHBondContact NE2-OD1 2.96Å; Q46-N50 WeakPolarHBondContact O-CB 3.41Å; Q46-N50 VanDerWaalsContact O-CG 3.27Å; Q46-N50 PolarHBondContact O-N 3.23Å; Q46-N50 PolarHBondContact O-OD1 3.17Å; N50-T52 PolarHBondContact O-N 2.98Å
51S79.4Confident71.3Confident68 Ų68117.9 Ų117.948%0.47664%0.64SS.*  trans-77111178.8178.10000111.9K39 Q47 V48 V49K39-S51 PolarHBondContact NZ-O 3.35Å; Q47-S51 PolarHBondContact O-N 3.36Å; V48-S51 PolarHBondContact O-N 3.07Å; V49-S51 VanDerWaalsContact C-N 3.31Å; V49-S51 PolarHBondContact O-N 2.69Å
52T71.8Confident68.9Low111 Ų111115.2 Ų115.268%0.68165%0.648SS**  trans-83.7137.3166.7-570000109.7N50N50-T52 PolarHBondContact O-N 2.98Å
53Q73.5Confident66.6Low183 Ų183112.4 Ų112.486%0.85565%0.652SS**  trans-94.5112.3170.8-71.9-179-10.100109.1
54E69.6Low64.2Low149 Ų149117.3 Ų117.370%0.69668%0.682SS**  trans-72.9138.8169-68.4-55.6135.700110.4V56E54-V56 PolarHBondContact O-N 3.08Å
55P61Low61.8Low95 Ų95112.5 Ų112.562%0.61768%0.676SS**  trans-71114.5-179.328.2-33.2000110.6I57P55-I57 PolarHBondContact O-N 2.87Å
56V59.8Low59.5Low138 Ų138115.3 Ų115.384%0.83670%0.696SS**  trans-74.468.5177.2-169.20000110.8E54 S58E54-V56 PolarHBondContact O-N 3.08Å; V56-S58 PolarHBondContact O-N 2.69Å
57I53.9Low57.5Low143 Ų143116.2 Ų116.273%0.73371%0.71SS**  trans-79.556.9167.347.5171.8000110.9P55 L59P55-I57 PolarHBondContact O-N 2.87Å; I57-L59 PolarHBondContact O-N 2.8Å; I57-L59 VanDerWaalsContact O-N 3.09Å
58S50.4Low55.3Low99 Ų99111.9 Ų111.969%0.69271%0.711SS**  trans-69.6101165.6-171.10000108.5V56 G60V56-S58 PolarHBondContact O-N 2.69Å; S58-G60 PolarHBondContact O-N 3.48Å
59L51Low53.3Low154 Ų154113.8 Ų113.881%0.80673%0.727SS**  trans-67.9100.1165.2-88.384.6000107.5I57 S61I57-L59 PolarHBondContact O-N 2.8Å; I57-L59 VanDerWaalsContact O-N 3.09Å; L59-S61 PolarHBondContact O-N 3.25Å
60G37.9Very low51.5Low70 Ų70117.6 Ų117.672%0.72276%0.755SS**  trans-62.598-178.200000112.5S58 A62S58-G60 PolarHBondContact O-N 3.48Å; G60-A62 PolarHBondContact O-N 3.43Å
61S42.4Very low49.5Very low111 Ų111117.4 Ų117.478%0.77676%0.762SS**  trans-62.3109.7155.6-69.40000107.9L59 S63L59-S61 PolarHBondContact O-N 3.25Å; S61-S63 PolarHBondContact O-N 3.39Å; S61-S63 VanDerWaalsContact O-N 3.11Å
62A41.3Very low47.8Very low102 Ų102122.4 Ų122.484%0.84378%0.778SS**  trans-64.7112.8176.100000109.6G60G60-A62 PolarHBondContact O-N 3.43Å
63S39.5Very low46.3Very low106 Ų106122.1 Ų122.174%0.74178%0.781SS**  trans-146.597.4172.6-69.60000107.7S61 S65S61-S63 PolarHBondContact O-N 3.39Å; S61-S63 VanDerWaalsContact O-N 3.11Å; S63-S65 PolarHBondContact O-N 2.96Å
64V40.3Very low44.7Very low147 Ų147119.9 Ų119.989%0.89177%0.773SS**  trans-73.4120.7177-750000109.4
65S37.4Very low43.1Very low120 Ų120120 Ų12084%0.83978%0.778SS**  trans-147.5115.1165.1-75.50000108.1S63S63-S65 PolarHBondContact O-N 2.96Å
66S40.9Very low41.9Very low113 Ų113126.6 Ų126.679%0.7979%0.791SS**  trans-75.3178.8-176.9-50.80000112.4
67T37.8Very low40.8Very low146 Ų146128.1 Ų128.190%0.89680%0.795SS**  trans92.1112.3171.5-34.70000113
68G35.3Very low39.9Very low76 Ų76125.1 Ų125.178%0.78480%0.799SS**  trans-93.1173.6-17800000113.4
69S38.2Very low39.1Very low119 Ų119128 Ų12883%0.83281%0.807SS**  trans-145.8146.8157.4-170.60000110
70S40.1Very low38.2Very low107 Ų107128.1 Ų128.175%0.74881%0.807SS**  trans-80.8140.3168.9178.30000109.7
71S37.5Very low37.8Very low108 Ų108130.6 Ų130.676%0.75581%0.808SS**  trans-155.1107161.9-710000110.4
72Q43.3Very low37.1Very low174 Ų174131.2 Ų131.281%0.81381%0.812SS**  trans-71.3128.2156.3-70.8177.5-21.900108.2
73S40.2Very low36.5Very low104 Ų104129.6 Ų129.673%0.72781%0.806SS**  trans-110.283.2172.645.40000111.2N75S73-N75 PolarHBondContact O-N 2.94Å
74I40.2Very low36.2Very low137 Ų137130.2 Ų130.270%0.70381%0.81SS**  trans-80.798.3168.1-59.5171000108
75N35.8Very low35.8Very low150 Ų150129.5 Ų129.580%0.80281%0.806SS**  trans-91.6105.5173.2-75.1-11.5000110.5S73S73-N75 PolarHBondContact O-N 2.94Å
76R36.7Very low35.5Very low234 Ų234129.6 Ų129.688%0.88381%0.807SS**  trans-88.3157.1163.7-81.2-171.4170.2-138.3-0.1110.8
77N37Very low35Very low171 Ų171129.8 Ų129.891%0.91481%0.808SS**  trans-59.1142.5-177-52.62.4000112.9
78G34.4Very low34.6Very low80 Ų80128.4 Ų128.483%0.82580%0.799SS**  trans-146.2134.1163.700000109.2
79N33.9Very low34.5Very low159 Ų159133.9 Ų133.985%0.8580%0.804SS**  trans-135.1171.8-179.1-145.6-1.3000108.2
80L31.3Very low34.3Very low157 Ų157136.5 Ų136.582%0.82280%0.801SS**  trans89.7152.4-169.7-74.272.3000114.9
81V29.9Very low33.8Very low122 Ų122138.7 Ų138.774%0.73980%0.804SS**  cis-179.1149.9-36.6124.20000107.6
82S28.9Very low33.6Very low123 Ų123140 Ų14086%0.8681%0.807SS**  trans66.2151.1176.5-620000116.8
83G28.1Very low33.5Very low68 Ų68137.4 Ų137.470%0.70181%0.805SS**  cis174.1-176.1-5.300000113
84S33.8Very low33.2Very low120 Ų120141.1 Ų141.184%0.83981%0.811SS**  trans83.484.4165-53.10000121.1
85T30.5Very low32.8Very low131 Ų131142.5 Ų142.580%0.80482%0.819SS**  trans15.5150.1132.455.40000124.4
86S31.7Very low32.3Very low123 Ų123141.5 Ų141.586%0.8682%0.822SS**  trans79.3151.8163.5790000116.2
87S31.2Very low32.3Very low117 Ų117137.9 Ų137.982%0.81882%0.819SS**  cis-132.3170.514.2-166.80000114.3
88V28.9Very low32.4Very low116 Ų116135 Ų13570%0.70381%0.81SS**  trans-84.5144178.5170.80000111.1
89H33Very low32.2Very low191 Ų191135.1 Ų135.188%0.88481%0.811SS**  trans-156.8168.5138-104.6-74.3000110.4
90K34.4Very low32.4Very low175 Ų175136.2 Ų136.276%0.76181%0.811SS**  trans-106.1155.1-164.5-54.1175.1-178.9176.80112.4
91D29.6Very low32.5Very low153 Ų153137.9 Ų137.982%0.81882%0.815SS**  177.3165.1103.2-87.8-24.5000113.1
92V33.5Very low33Very low136 Ų136140.2 Ų140.282%0.82482%0.817SS**  trans-144.7125.6-175.4170.60000106.4
93P40.9Very low33.6Very low118 Ų118144.8 Ų144.877%0.76682%0.816SS**  -137.1-173.47540.8-22.1000112.2
94Q33.9Very low34.2Very low182 Ų182146.8 Ų146.885%0.8582%0.816SS**  -168.5161.658.5-168167.64.500113
95L31.4Very low35.2Very low167 Ų167146.8 Ų146.887%0.87481%0.811SS**  trans-71.7142.4-174.5-63.2140.7000114.1
96C26.3Very low36.4Very low128 Ų128146.7 Ų146.787%0.86581%0.81SS**  -165.5150.7126.6-140.30000114.5
97L35.5Very low37.8Very low158 Ų158150.1 Ų150.183%0.82781%0.81SS**  trans-128165164.6-73.6168.2000107.5
98P39.2Very low39.3Very low112 Ų112154 Ų15473%0.72781%0.812SS**  cis-118.2156.3-31.237-24.7000111.6Q100P98-Q100 PolarHBondContact O-N 3.44Å
99G30.2Very low41.1Very low81 Ų81159.4 Ų159.484%0.83582%0.819SS**  trans-71.6115.2-178.400000114.3
100Q38.1Very low42.9Very low182 Ų182155.7 Ų155.785%0.8581%0.813SS**  trans-61.3132.1169-74.9-80.1-3400111.1P98 H102P98-Q100 PolarHBondContact O-N 3.44Å; Q100-H102 PolarHBondContact O-N 3Å
101Q34.3Very low45Very low192 Ų192151.7 Ų151.790%0.89780%0.799SS**  trans-71.494.2176.4-77-170.4-17.300111.2R103Q101-R103 VanDerWaalsContact C-N 3.31Å; Q101-R103 PolarHBondContact O-N 3.13Å
102H38.9Very low47.6Very low172 Ų172149 Ų14980%0.79679%0.792SS**  trans-73.681.9178.1-157.9-69.7000111.4Q100Q100-H102 PolarHBondContact O-N 3Å
103R42.7Very low50Low219 Ų219146.7 Ų146.783%0.82677%0.774SS**  trans-50.4122.5179.2-166.8-178.7-165-178.26.9109.9Q101 T105Q101-R103 VanDerWaalsContact C-N 3.31Å; Q101-R103 PolarHBondContact O-N 3.13Å; R103-T105 PolarHBondContact O-N 3.16Å
104P40.6Very low52.2Low110 Ų110146.2 Ų146.271%0.71477%0.765SS**  trans-63.2123.7-176.524.1-33000109.7V106P104-V106 PolarHBondContact O-N 2.91Å; P104-V106 VanDerWaalsContact O-N 3.08Å
105T53.9Low54.8Low119 Ų119142.6 Ų142.673%0.7375%0.751SS**  trans-67.1111.2176.7450000108.5R103 K107R103-T105 PolarHBondContact O-N 3.16Å; T105-K107 PolarHBondContact O-N 2.94Å
106V57.3Low57.5Low129 Ų129141.7 Ų141.778%0.78274%0.737SS**  trans-61103174.6178.50000107.4P104 K108P104-V106 PolarHBondContact O-N 2.91Å; P104-V106 VanDerWaalsContact O-N 3.08Å; V106-K108 VanDerWaalsContact C-N 3.29Å; V106-K108 PolarHBondContact O-N 3.41Å
107K59.8Low60.6Low196 Ų196142.9 Ų142.985%0.85272%0.723SS**  trans-57.897.4169.4-68.9-178.3179.91790106.5T105 R109T105-K107 PolarHBondContact O-N 2.94Å; K107-R109 PolarHBondContact O-N 3.15Å
108K63.8Low63Low199 Ų199141.5 Ų141.587%0.86571%0.712SS**PPolyproline II helixtrans-54.4118.1-179.4-68.8-177.5178.7-179.50106.9V106V106-K108 VanDerWaalsContact C-N 3.29Å; V106-K108 PolarHBondContact O-N 3.41Å
109R66.4Low65.2Low228 Ų228143 Ų14386%0.8671%0.707SS**PPolyproline II helixtrans-53.2139.1169.7-81.8-179.116287.5-2.8107.4K107 D111K107-R109 PolarHBondContact O-N 3.15Å; R109-D111 PolarHBondContact O-N 2.98Å; R109-D111 VanDerWaalsContact O-N 3.15Å
110P69.9Low67.5Low114 Ų114141 Ų14174%0.7468%0.68SS**PPolyproline II helixtrans-54.7125.917524.1-33.3000107.9S112P110-S112 PolarHBondContact O-N 3.02Å
111D79.4Confident69.6Low91 Ų91137 Ų13749%0.48767%0.665SS.*  trans-66.6112.3-167.9-178.411.7000109.9R109 I113 L114 L115R109-D111 PolarHBondContact O-N 2.98Å; R109-D111 VanDerWaalsContact O-N 3.15Å; D111-I113 PolarHBondContact O-N 3.28Å; D111-I113 WeakPolarHBondContact OD1-CG2 3.39Å; D111-I113 PolarHBondContact OD1-N 2.88Å; D111-L114 HydrophobicContact CB-CB 3.9Å; D111-L114 WeakPolarHBondContact O-CB 3.48Å; D111-L114 PolarHBondContact O-N 2.68Å; D111-L115 PolarHBondContact O-N 3.43Å
112S84.5Confident71.6Confident95 Ų95134.6 Ų134.666%0.66466%0.657SS**Hα-helixtrans-67.5-26.1-17255.90000112.1P110 Y116P110-S112 PolarHBondContact O-N 3.02Å; S112-Y116 WeakPolarHBondContact O-CB 3.32Å; S112-Y116 PolarHBondContact O-N 2.9Å
113I82.7Confident73.1Confident88 Ų88132.3 Ų132.345%0.45165%0.65SS.*Hα-helixtrans-74.7-31.8172.6-157.564.1000111.7D111 Y116 R117D111-I113 PolarHBondContact O-N 3.28Å; D111-I113 WeakPolarHBondContact OD1-CG2 3.39Å; D111-I113 PolarHBondContact OD1-N 2.88Å; I113-Y116 HydrophobicContact CD1-CD1 4.16Å; I113-R117 WeakPolarHBondContact O-CB 3.08Å; I113-R117 WeakPolarHBondContact O-CD 3.38Å; I113-R117 WeakPolarHBondContact O-CG 3.18Å; I113-R117 PolarHBondContact O-N 3.04Å
114L87.1Confident74.3Confident108 Ų108130.8 Ų130.857%0.56565%0.645SS**Hα-helixtrans-70-43.8174.5-170.368.2000110.9D111 R117 Q118D111-L114 HydrophobicContact CB-CB 3.9Å; D111-L114 WeakPolarHBondContact O-CB 3.48Å; D111-L114 PolarHBondContact O-N 2.68Å; L114-R117 PolarHBondContact O-N 2.96Å; L114-Q118 WeakPolarHBondContact O-CB 3.37Å; L114-Q118 PolarHBondContact O-N 2.7Å
115L88.6Confident74.9Confident107 Ų107128 Ų12856%0.5664%0.635SS**Hα-helixtrans-65-38.4174.9-170.667.3000111.8D111 K119D111-L115 PolarHBondContact O-N 3.43Å; L115-K119 WeakPolarHBondContact O-CB 3.44Å; L115-K119 PolarHBondContact O-N 3.39Å
116Y89.2Confident74.8Confident148 Ų148127 Ų12758%0.5863%0.634SS**Hα-helixtrans-63.3-48172.9177.3-99.7000111.7S112 I113 K119 C120S112-Y116 WeakPolarHBondContact O-CB 3.32Å; S112-Y116 PolarHBondContact O-N 2.9Å; I113-Y116 HydrophobicContact CD1-CD1 4.16Å; Y116-K119 PolarHBondContact O-N 3.25Å; Y116-C120 VanDerWaalsContact CZ-SG 3.53Å; Y116-C120 WeakPolarHBondContact O-CB 3.39Å; Y116-C120 PolarHBondContact O-N 2.88Å; Y116-C120 PolarHBondContact O-SG 2.69Å; Y116-C120 VanDerWaalsContact O-SG 3.4Å
117R89.4Confident74.5Confident153 Ų153125 Ų12558%0.57763%0.631SS**Hα-helixtrans-54.9-54.3174-75.3164.9-177-80.71.2110.9I113 L114 K119 C120 D121I113-R117 WeakPolarHBondContact O-CB 3.08Å; I113-R117 WeakPolarHBondContact O-CD 3.38Å; I113-R117 WeakPolarHBondContact O-CG 3.18Å; I113-R117 PolarHBondContact O-N 3.04Å; L114-R117 PolarHBondContact O-N 2.96Å; R117-K119 VanDerWaalsContact C-N 3.29Å; R117-K119 PolarHBondContact O-N 3.39Å; R117-C120 CarbonylContact O-C 3.35Å; R117-C120 WeakPolarHBondContact O-CA 3.38Å; R117-C120 WeakPolarHBondContact O-CB 3.17Å; R117-C120 PolarHBondContact O-N 3.45Å; R117-D121 WeakPolarHBondContact O-CB 3.08Å; R117-D121 VanDerWaalsContact O-CG 3.23Å; R117-D121 PolarHBondContact O-N 3.33Å
118Q86.7Confident73.9Confident128 Ų128122.9 Ų122.960%0.59863%0.628SS**Hα-helixtrans-55.8-41178-174.3-178.6-100112.6L114 D121 L122L114-Q118 WeakPolarHBondContact O-CB 3.37Å; L114-Q118 PolarHBondContact O-N 2.7Å; Q118-D121 PolarHBondContact O-N 2.67Å; Q118-L122 WeakPolarHBondContact O-CB 2.89Å; Q118-L122 PolarHBondContact O-N 2.96Å
119K85.2Confident73.4Confident143 Ų143122 Ų12262%0.62262%0.624SS**Hα-helixtrans-67.7-41.6176-169179.2-177.5-177.50112.1L115 Y116 R117 L122 L123L115-K119 WeakPolarHBondContact O-CB 3.44Å; L115-K119 PolarHBondContact O-N 3.39Å; Y116-K119 PolarHBondContact O-N 3.25Å; R117-K119 VanDerWaalsContact C-N 3.29Å; R117-K119 PolarHBondContact O-N 3.39Å; K119-L122 PolarHBondContact O-N 3.29Å; K119-L123 HydrophobicContact CG-CD1 4.35Å; K119-L123 WeakPolarHBondContact O-CD1 3.39Å; K119-L123 WeakPolarHBondContact O-CG 3.14Å; K119-L123 PolarHBondContact O-N 2.65Å
120C78.9Confident72.4Confident39 Ų39118.1 Ų118.126%0.26462%0.62SS.*Hα-helixtrans-65.1-37.3174.3-73.80000112.5Y116 R117 L123 R124Y116-C120 VanDerWaalsContact CZ-SG 3.53Å; Y116-C120 WeakPolarHBondContact O-CB 3.39Å; Y116-C120 PolarHBondContact O-N 2.88Å; Y116-C120 PolarHBondContact O-SG 2.69Å; Y116-C120 VanDerWaalsContact O-SG 3.4Å; R117-C120 CarbonylContact O-C 3.35Å; R117-C120 WeakPolarHBondContact O-CA 3.38Å; R117-C120 WeakPolarHBondContact O-CB 3.17Å; R117-C120 PolarHBondContact O-N 3.45Å; C120-L123 PolarHBondContact O-N 3.29Å; C120-R124 WeakPolarHBondContact O-CB 3.43Å; C120-R124 PolarHBondContact O-N 2.82Å
121D82.2Confident71.3Confident98 Ų98122.8 Ų122.852%0.52462%0.623SS.*Hα-helixtrans-70.9-35.8177.1-65.7-33000111.4R117 Q118 R124 G125R117-D121 WeakPolarHBondContact O-CB 3.08Å; R117-D121 VanDerWaalsContact O-CG 3.23Å; R117-D121 PolarHBondContact O-N 3.33Å; Q118-D121 PolarHBondContact O-N 2.67Å; D121-R124 PolarHBondContact O-N 3.21Å; D121-G125 PolarHBondContact O-N 3.19Å
122L76.6Confident69.7Low142 Ų142128.5 Ų128.574%0.74364%0.638SS**Hα-helixtrans-66.8-41.4173-157.173.8000112.1Q118 K119 G125Q118-L122 WeakPolarHBondContact O-CB 2.89Å; Q118-L122 PolarHBondContact O-N 2.96Å; K119-L122 PolarHBondContact O-N 3.29Å; L122-G125 PolarHBondContact O-N 3.32Å
123L70.6Confident67.9Low124 Ų124132.3 Ų132.365%0.64965%0.645SS**Hα-helixtrans-64.5-41.5173-73.6163.6000111.7K119 C120K119-L123 HydrophobicContact CG-CD1 4.35Å; K119-L123 WeakPolarHBondContact O-CD1 3.39Å; K119-L123 WeakPolarHBondContact O-CG 3.14Å; K119-L123 PolarHBondContact O-N 2.65Å; C120-L123 PolarHBondContact O-N 3.29Å
124R66.4Low66.4Low188 Ų188134.1 Ų134.171%0.70966%0.662SS**Hα-helixtrans-69.6-34.3178.1-173.5177.4-65.3-96.1-3.1112.6C120 D121 S126 A127C120-R124 WeakPolarHBondContact O-CB 3.43Å; C120-R124 PolarHBondContact O-N 2.82Å; D121-R124 PolarHBondContact O-N 3.21Å; R124-S126 VanDerWaalsContact C-N 3.27Å; R124-S126 PolarHBondContact O-N 3.36Å; R124-A127 PolarHBondContact O-N 2.81Å
125G54.2Low64.7Low50 Ų50136.2 Ų136.252%0.51567%0.673SS.*Hα-helixtrans-68.1-20.417900000114.6D121 L122D121-G125 PolarHBondContact O-N 3.19Å; L122-G125 PolarHBondContact O-N 3.32Å
126S52.2Low62.5Low100 Ų100137.2 Ų137.270%0.69968%0.683SS**THydrogen-bonded Turntrans-70.8-30.4177.6-163.80000113.1R124 L128R124-S126 VanDerWaalsContact C-N 3.27Å; R124-S126 PolarHBondContact O-N 3.36Å; S126-L128 PolarHBondContact O-N 3.35Å
127A50.9Low60.3Low87 Ų87141.6 Ų141.672%0.71970%0.699SS**THydrogen-bonded Turntrans-80-12.3-172.400000114.9R124R124-A127 PolarHBondContact O-N 2.81Å
128L47.3Very low58.6Low150 Ų150143.2 Ų143.279%0.78571%0.71SS**  trans-134.462.1-173-80.5165.7000111.8S126S126-L128 PolarHBondContact O-N 3.35Å
129K52.4Low56.4Low180 Ų180142.4 Ų142.478%0.78372%0.716SS**  trans-60.6140.9164.1-81-171.7175-179.50110.5
130N45.4Very low54.4Low147 Ų147141.5 Ų141.579%0.78673%0.725SS**  trans61.174.1158.6-54.3-15.3000117.6
131R47.2Very low52.5Low213 Ų213147.6 Ų147.680%0.80475%0.753SS**  trans-159.2111.8140-113.8165.8-165.1-150.63.6115.7
132R46Very low50.4Low210 Ų210151.1 Ų151.179%0.79277%0.772SS**  trans71.9145.8151.2-61.3168.3-178.1177.6-2.1117.6
133H45.7Very low48.4Very low175 Ų175149.6 Ų149.681%0.8177%0.774SS**  trans-78.4144.4-171.9-44.5-88.4000111.9I135H133-I135 PolarHBondContact O-N 3.02Å
134P52.7Low46.7Very low126 Ų126146.6 Ų146.682%0.81877%0.772SS**  trans-71.6110.9169.1-12.628.3000110.5T136P134-T136 PolarHBondContact O-N 2.87Å
135I50.3Low45.2Very low153 Ų153144.2 Ų144.279%0.78577%0.774SS**  trans-75121.4170.9-63.1176.5000108.7H133 R137H133-I135 PolarHBondContact O-N 3.02Å; I135-R137 PolarHBondContact O-N 3.2Å
136T43.2Very low44.4Very low127 Ų127150.7 Ų150.778%0.77979%0.788SS**  trans-73.989.2-179.240.30000112P134 K138P134-T136 PolarHBondContact O-N 2.87Å; T136-K138 PolarHBondContact O-N 2.79Å; T136-K138 VanDerWaalsContact O-N 3.08Å
137R42.9Very low43.5Very low240 Ų240154 Ų15491%0.90679%0.792SS**  trans-73.595.8168.9-72.5-173.2174.1-179.8-2.2110.8I135I135-R137 PolarHBondContact O-N 3.2Å
138K53Low42.5Very low187 Ų187154.6 Ų154.681%0.81379%0.786SS**PPolyproline II helixtrans-75.6142.7159.5-68.8-175.2177.1-177.40109.4T136T136-K138 PolarHBondContact O-N 2.79Å; T136-K138 VanDerWaalsContact O-N 3.08Å
139P41.4Very low41.8Very low111 Ų111155.2 Ų155.272%0.72179%0.79SS**PPolyproline II helixtrans-73.2143.8167.631.6-33.4000110.2
140P43.1Very low40.7Very low125 Ų125151 Ų15181%0.81279%0.788SS**PPolyproline II helixtrans-71.8142.8167.930.8-33.2000110.3
141L39.3Very low40.1Very low166 Ų166148.7 Ų148.787%0.86979%0.789SS**PPolyproline II helixtrans-76.8138166.7-77.776.9000108.8
142N37.8Very low39.1Very low172 Ų172145.8 Ų145.892%0.9279%0.79SS**PPolyproline II helixtrans-83.9127.4178.4-166.16.5000110.2
143S35.3Very low38.8Very low111 Ų111147.3 Ų147.378%0.77680%0.796SS**  trans-157.1104.3-175.1175.20000114.3
144G34.2Very low37.9Very low60 Ų60147.5 Ų147.562%0.61980%0.797SS**  trans83.698.7133.900000120.8
145N34.1Very low36.8Very low138 Ų138148 Ų14874%0.73880%0.802SS**  trans72.5118.3135.5-67.8-42.5000122.7
146K38.9Very low35.6Very low187 Ų187148.7 Ų148.781%0.81380%0.802SS**  trans66.7138.2137.3-53.1170-170.9-177.60116.3
147H31.9Very low35.1Very low170 Ų170151.6 Ų151.679%0.78781%0.806SS**  cis-163166.540-167.7-107.1000113.1
148V30.9Very low34.4Very low99 Ų99148.5 Ų148.560%0.680%0.802SS**  trans-23.2137.6174.9-179.40000120
149L32Very low33.2Very low163 Ų163142.7 Ų142.785%0.85380%0.795SS**  169.2115.1129.1-87.9172.5000107.1
150A29Very low32.8Very low90 Ų90142.8 Ų142.874%0.74480%0.798SS**  7896.45100000114
151A32.5Very low32.4Very low99 Ų99146.3 Ų146.382%0.81880%0.801SS**  trans-160.4138.4162.700000109.6
152D27.6Very low32.1Very low153 Ų153146 Ų14682%0.81880%0.795SS**  trans-79.6163.5-169.7-39.7-69.5000114
153R39.9Very low31.9Very low242 Ų242145.9 Ų145.991%0.91379%0.787SS**  -173.3117.5112.2-94.2-70.3163.8164.4-2.3111.1
154E26.8Very low32.1Very low178 Ų178148.2 Ų148.283%0.83279%0.788SS**  trans-74.8155.2166.2-59.2167.5139.500111
155C28.3Very low31.9Very low137 Ų137150.7 Ų150.793%0.92680%0.796SS**  trans-158.9108.9154-108.40000109.5
156E25.7Very low31.8Very low168 Ų168149.7 Ų149.779%0.78580%0.796SS**  trans-82.1147.5179-76.2-66.9164.100112.9
157H32.2Very low32.1Very low188 Ų188146.1 Ų146.187%0.8779%0.791SS**  trans-161.2106.9145.3-116.168.1000115.9
158E28.7Very low31.8Very low174 Ų174146.3 Ų146.381%0.81379%0.793SS**  trans-10.4128.3150.1-71.4-71.817700120.6
159G27.7Very low31.7Very low65 Ų65144.4 Ų144.467%0.6779%0.793SS**  95.480.492.900000122.2
160S32.9Very low31.7Very low113 Ų113145.9 Ų145.979%0.7979%0.793SS**  trans-170.4128.6145.147.40000110
161K34.3Very low32Very low200 Ų200146.2 Ų146.287%0.8780%0.795SS**  cis100.911341.8-84.1-175-179.1176.10113
162E33.7Very low32.4Very low158 Ų158151.9 Ų151.974%0.73880%0.801SS**  trans69.7157.5161.7-58.1-163.4131.900117.4
163K34.2Very low32.5Very low171 Ų171153.6 Ų153.674%0.74380%0.804SS**  cis-148.8166.91.5-133.9153.3-167.7148.30112.1
164I38.3Very low31.8Very low159 Ų159147.8 Ų147.882%0.81580%0.799SS**  trans-89146.8179.5-61.8159.1000110.9
165S30.2Very low32.1Very low112 Ų112144.3 Ų144.378%0.78380%0.795SS**  trans-153.6132.9151.1-164.90000113.1
166T32Very low32.2Very low118 Ų118146.1 Ų146.172%0.72480%0.795SS**  trans-117.8153.9164.1-35.20000107
167P45.3Very low32.4Very low111 Ų111141.2 Ų141.272%0.72179%0.79SS**  -144151.511144.7-32.5000110.6
168E25.7Very low32.2Very low175 Ų175139.2 Ų139.282%0.81879%0.791SS**  50.9130.257.1-112.1-157.2127.900114.5
169G28.5Very low32.1Very low59 Ų59136.8 Ų136.861%0.60879%0.787SS**  cis173-176-5.700000110.5
170K31.6Very low32.6Very low194 Ų194141.5 Ų141.584%0.84380%0.795SS**  trans71125.1175.1-50.9176.5-175.3176.50114.1
171A36.5Very low32.5Very low96 Ų96141.2 Ų141.279%0.79379%0.793SS**  cis73.6113.235.100000114.6
172K41.2Very low32.3Very low219 Ų219140.4 Ų140.495%0.95279%0.793SS**  trans-143.2125.4158.1-79-165.9176-178.40109.9
173E29.1Very low32.2Very low189 Ų189138.6 Ų138.688%0.88380%0.798SS**  trans-113.6135.7169.5173.2-175.3-171.100107.7
174C25.3Very low32Very low119 Ų119138.2 Ų138.280%0.80480%0.799SS**  trans-179.1128.6151.7-93.50000106.5
175S33.4Very low31.6Very low106 Ų106139 Ų13974%0.74180%0.804SS**  74.5107.352.4-168.50000113.1
176N30.8Very low31.6Very low174 Ų174141.2 Ų141.293%0.9380%0.8SS**  trans-166.5158.5151.8-93.2-35.4000107
177G29.4Very low31.7Very low66 Ų66141.3 Ų141.368%0.6881%0.806SS**  trans-167-167.6-177.300000114.3
178V27.8Very low31Very low146 Ų146142.8 Ų142.889%0.88581%0.807SS**  trans71116.7-177.8-172.40000115
179V26.7Very low31.1Very low122 Ų122137.8 Ų137.874%0.73980%0.802SS**  -167.5138.3117.11460000108
180I37.1Very low31.3Very low164 Ų164139.4 Ų139.484%0.84181%0.81SS**  trans-103.3134.6165.8-64.2172.8000107
181S32Very low31.2Very low107 Ų107135.9 Ų135.975%0.74881%0.805SS**  trans-144138.7165.3-72.80000109.8
182Q30.4Very low31Very low183 Ų183139 Ų13986%0.85580%0.804SS**  trans-88.5156176.1-61.9162.9-1600109.4
183S30.9Very low30.6Very low120 Ų120136.7 Ų136.784%0.83980%0.796SS**  trans-139.2123.2144.854.80000109.5
184E29.9Very low30.7Very low164 Ų164133.9 Ų133.977%0.76679%0.787SS**  trans-72.5156.3167.2-56.4178.511900109.1
185N30.1Very low31.4Very low175 Ų175133.3 Ų133.394%0.93678%0.784SS**  trans-143.5137.3146.4-115.9-35.6000110.5
186K30.4Very low31.5Very low158 Ų158137.8 Ų137.869%0.68779%0.794SS**  trans-136.4113.9-155.4173.1-175.8178.3177.40109.8
187S33Very low32Very low121 Ų121137.9 Ų137.985%0.84679%0.786SS**  trans-124.9101.2169.558.90000109.7
188N30.4Very low32.6Very low142 Ų142140.3 Ų140.376%0.75979%0.789SS**  trans-87.6155.7173.4-65.811.3000110.6
189G29.5Very low32.8Very low69 Ų69140.2 Ų140.271%0.71178%0.783SS**  trans155.591.4170.800000109.8
190A31.6Very low33.2Very low94 Ų94139.4 Ų139.478%0.77779%0.789SS**  73.9132.278.700000111.9
191T30.6Very low32.9Very low120 Ų120135.7 Ų135.774%0.73679%0.79SS**  cis-153.8146.72.2110000106.9
192E32.4Very low32.8Very low162 Ų162134.2 Ų134.276%0.75779%0.792SS**  40135.590-36.4-42.9142.900114.7
193E32Very low32.8Very low169 Ų169134.1 Ų134.179%0.7980%0.796SS**  cis-131.9-156.57.9-55-179.6136.100109.7
194N30.9Very low33.1Very low131 Ų131136.4 Ų136.470%0.70180%0.799SS**  cis-154.6-161.5-4.6-148.4-47.9000109.8
195S40.4Very low33.1Very low106 Ų106133.4 Ų133.474%0.74180%0.802SS**  trans-122.3152.3170.1-65.90000112.1
196E34.5Very low33.5Very low201 Ų201132 Ų13294%0.93980%0.799SS**  trans-157.2156.5163.3-128.4173.7-127.900115.1
197K42.3Very low34.1Very low175 Ų175130.2 Ų130.276%0.76180%0.804SS**  trans-165.8125.6-176.2177.5-162.7172.6-172.10114.2
198P41.2Very low34Very low117 Ų117133.3 Ų133.376%0.7681%0.805SS**  trans-118.6155.7144.79.412.5000110.6
199I32.7Very low34.8Very low145 Ų145133.9 Ų133.974%0.74481%0.806SS**  cis115.8116.815-73.7172.9000112.9
200A35.3Very low35.2Very low105 Ų105139.5 Ų139.587%0.86881%0.814SS**  trans77142.8156.900000122.5
201G30.4Very low35.7Very low85 Ų85144.9 Ų144.988%0.87681%0.814SS**  trans100.9128171.600000115.1
202G29.5Very low36.4Very low76 Ų76145.7 Ų145.778%0.78482%0.819SS**  cis173.9141.4-11.900000113.9
203L31Very low37Very low181 Ų181144.7 Ų144.795%0.94882%0.824SS**  trans68163.6166.2-66.4174.5000120.5
204L36.5Very low37.8Very low169 Ų169140.2 Ų140.289%0.88582%0.824SS**  trans-88139-163.3-65.5152.9000113.7
205A31Very low38.8Very low101 Ų101143.9 Ų143.984%0.83583%0.833SS**  trans-156.7134.9151.800000112.4
206V37.6Very low39.2Very low145 Ų145141.9 Ų141.988%0.87983%0.83SS**  trans-147.4132.9168173.10000103.4
207P43.8Very low39.8Very low121 Ų121138.3 Ų138.379%0.78682%0.822SS**  cis-133.5175.837.842.8-28.3000115.9
208E30Very low40.4Very low186 Ų186135.6 Ų135.687%0.86983%0.825SS**  -166.2161.4118.7-170.3142.6-153.600110
209I47.8Very low41.2Very low153 Ų153140.1 Ų140.179%0.78583%0.826SS**  trans-107.387.1178.8-60.8162.1000109.1
210E37.3Very low42.3Very low188 Ų188138.5 Ų138.588%0.87983%0.828SS**  trans-99.2139.5170.9-163.1168.9-145.200111.6
211R42.9Very low43.3Very low206 Ų206141.7 Ų141.778%0.77782%0.824SS**  trans-98.6158.4177.6-66.6-176.4175.892.4-3.3110.1
212T45.8Very low44.7Very low137 Ų137142 Ų14284%0.8481%0.814SS**  trans57.288.7164.253.90000117.5
213T45.1Very low45.9Very low141 Ų141143.3 Ų143.387%0.86580%0.802SS**  -131.5121.9114.441.70000109.2K215T213-K215 PolarHBondContact O-N 3.18Å
214G48.5Very low47Very low76 Ų76140.3 Ų140.378%0.78479%0.786SS**  trans-72.8123.5170.200000108.8G216G214-G216 PolarHBondContact O-N 3.21Å
215K50.5Low47.9Very low207 Ų207136 Ų13690%0.977%0.77SS**  trans-57.5107.6165.4-100.1103.5173.3-178.50107.4T213 V217T213-K215 PolarHBondContact O-N 3.18Å; K215-V217 PolarHBondContact O-N 2.85Å
216G49Very low48.9Very low64 Ų64135 Ų13566%0.6676%0.757SS**  trans-58.2124.1170.700000108.3G214 S218G214-G216 PolarHBondContact O-N 3.21Å; G216-S218 VanDerWaalsContact C-N 3.3Å; G216-S218 PolarHBondContact O-N 2.99Å
217V47.5Very low49.7Very low127 Ų127137.2 Ų137.277%0.7775%0.749SS**  trans-70.597.3169-179.90000106K215 R219K215-V217 PolarHBondContact O-N 2.85Å; V217-R219 HydrophobicContact CG1-CG 3.94Å; V217-R219 WeakPolarHBondContact O-CG 3.47Å; V217-R219 PolarHBondContact O-N 3.1Å
218S55.6Low49.9Very low118 Ų118140.3 Ų140.383%0.82575%0.747SS**  trans-65.279.6168.9-62.60000108.6G216 S220G216-S218 VanDerWaalsContact C-N 3.3Å; G216-S218 PolarHBondContact O-N 2.99Å; S218-S220 PolarHBondContact O-N 2.88Å; S218-S220 VanDerWaalsContact O-N 3.14Å
219R57.5Low50.9Low212 Ų212134.9 Ų134.980%0.873%0.729SS**  trans-59.9117.9173-55.6-176.282.4173.64.6105.8V217 H221V217-R219 HydrophobicContact CG1-CG 3.94Å; V217-R219 WeakPolarHBondContact O-CG 3.47Å; V217-R219 PolarHBondContact O-N 3.1Å; R219-H221 PolarHBondContact O-N 3.22Å; R219-H221 VanDerWaalsContact O-N 3.11Å
220S55.6Low51.2Low110 Ų110136.4 Ų136.477%0.76973%0.73SS**  trans-49.7122.8-178.2-173.50000109.2S218 S222S218-S220 PolarHBondContact O-N 2.88Å; S218-S220 VanDerWaalsContact O-N 3.14Å; S220-S222 PolarHBondContact O-N 3.42Å
221H56.1Low52Low172 Ų172132.9 Ų132.980%0.79672%0.717SS**  trans-75.574177.1-123.8-97.7000107.2R219 D223R219-H221 PolarHBondContact O-N 3.22Å; R219-H221 VanDerWaalsContact O-N 3.11Å; H221-D223 PolarHBondContact O-N 3.22Å; H221-D223 VanDerWaalsContact O-N 3.13Å
222S59.2Low52.5Low93 Ų93129.6 Ų129.665%0.6571%0.709SS**  trans-62.9116.2169.549.80000107.2S220 I224S220-S222 PolarHBondContact O-N 3.42Å; S222-I224 PolarHBondContact O-N 2.91Å
223D54.6Low53.3Low103 Ų103125.4 Ų125.455%0.55169%0.688SS**  trans-6881.1-175.1-74.7-57.4000111.1H221 S225 S226H221-D223 PolarHBondContact O-N 3.22Å; H221-D223 VanDerWaalsContact O-N 3.13Å; D223-S225 PolarHBondContact O-N 2.65Å; D223-S226 WeakPolarHBondContact O-CB 3.41Å; D223-S226 PolarHBondContact O-N 3.07Å; D223-S226 PolarHBondContact O-OG 2.86Å
224I56.1Low54.5Low118 Ų118124.4 Ų124.461%0.60568%0.678SS**G310 helixtrans-56.8-30.2165.4-141.273.7000109.2S222 S226 R227 Y228S222-I224 PolarHBondContact O-N 2.91Å; I224-S226 VanDerWaalsContact C-N 3.32Å; I224-S226 PolarHBondContact O-N 3.16Å; I224-R227 PolarHBondContact O-N 3.09Å; I224-Y228 HydrophobicContact CG1-CE2 4.48Å; I224-Y228 WeakPolarHBondContact O-CD2 3.33Å; I224-Y228 PolarHBondContact O-N 3.08Å
225S54.9Low55.8Low77 Ų77123.1 Ų123.154%0.53865%0.651SS.*G310 helixtrans-50.7-46.9167.4-166.70000111.9D223 R227 Y228 S229D223-S225 PolarHBondContact O-N 2.65Å; S225-R227 PolarHBondContact O-N 3Å; S225-R227 VanDerWaalsContact O-N 3.09Å; S225-Y228 CarbonylContact O-C 3.41Å; S225-Y228 PolarHBondContact O-N 2.84Å; S225-S229 WeakPolarHBondContact O-CA 3.38Å; S225-S229 WeakPolarHBondContact O-CB 3.36Å; S225-S229 PolarHBondContact O-N 2.8Å; S225-S229 PolarHBondContact O-OG 2.71Å
226S52.4Low57.1Low80 Ų80118 Ų11856%0.55963%0.633SS**G310 helixtrans-60.6-22.4178.674.20000114.6D223 I224 S229D223-S226 WeakPolarHBondContact O-CB 3.41Å; D223-S226 PolarHBondContact O-N 3.07Å; D223-S226 PolarHBondContact O-OG 2.86Å; I224-S226 VanDerWaalsContact C-N 3.32Å; I224-S226 PolarHBondContact O-N 3.16Å; S226-S229 WeakPolarHBondContact CA-OG 3.25Å; S226-S229 PolarHBondContact O-OG 2.92Å
227R53.6Low58.7Low192 Ų192117.8 Ų117.873%0.72563%0.625SS**G310 helixtrans-92.8-5.5176.5-66-167.3174.9-148.4-2.1114I224 S225I224-R227 PolarHBondContact O-N 3.09Å; S225-R227 PolarHBondContact O-N 3Å; S225-R227 VanDerWaalsContact O-N 3.09Å
228Y47.7Very low60.4Low187 Ų187117.4 Ų117.473%0.73361%0.613SS**THydrogen-bonded Turntrans-123.6-8.3175.1-73.6-77.6000112.9I224 S225 K230I224-Y228 HydrophobicContact CG1-CE2 4.48Å; I224-Y228 WeakPolarHBondContact O-CD2 3.33Å; I224-Y228 PolarHBondContact O-N 3.08Å; S225-Y228 CarbonylContact O-C 3.41Å; S225-Y228 PolarHBondContact O-N 2.84Å; Y228-K230 PolarHBondContact O-N 2.96Å
229S50.6Low61.9Low71 Ų71111.9 Ų111.950%0.49757%0.574SS.*THydrogen-bonded Turntrans-70.591.6-178.457.40000110.3S225 S226 N231S225-S229 WeakPolarHBondContact O-CA 3.38Å; S225-S229 WeakPolarHBondContact O-CB 3.36Å; S225-S229 PolarHBondContact O-N 2.8Å; S225-S229 PolarHBondContact O-OG 2.71Å; S226-S229 WeakPolarHBondContact CA-OG 3.25Å; S226-S229 PolarHBondContact O-OG 2.92Å; S229-N231 PolarHBondContact O-N 3.48Å
230K55.8Low63.2Low186 Ų186106.8 Ų106.881%0.80956%0.558SS**THydrogen-bonded Turntrans5354.9176.9-163.9-178.8-179-179.10111.1Y228 F232Y228-K230 PolarHBondContact O-N 2.96Å; K230-F232 PolarHBondContact O-N 3.07Å
231N53.2Low64.5Low114 Ų114111.4 Ų111.461%0.6156%0.56SS**  trans-68.670.9176.7-163.899.8000111.1S229 A233S229-N231 PolarHBondContact O-N 3.48Å; N231-A233 PolarHBondContact O-N 3.24Å
232F54.3Low65.8Low136 Ų136106.4 Ų106.460%0.59654%0.543SS*.  trans-63.882.7155.1-133.4-91000105.4K230 F235K230-F232 PolarHBondContact O-N 3.07Å; F232-F235 HydrophobicContact CD1-CD2 4.45Å
233A60.7Low67.1Low50 Ų50105.2 Ų105.241%0.41355%0.546SS..  trans-55.2143.6152.100000106.2N231 F235N231-A233 PolarHBondContact O-N 3.24Å; A233-F235 WeakPolarHBondContact O-CD2 3.49Å; A233-F235 PolarHBondContact O-N 3.1Å
234D71.7Confident68.5Low120 Ų120103.5 Ų103.564%0.64254%0.537SS*.  trans-69.982.1-178.2-68.8-49.9000109.8D236 A237 F238D234-D236 PolarHBondContact O-N 3.24Å; D234-A237 HydrophobicContact CB-CB 3.64Å; D234-A237 PolarHBondContact O-N 2.76Å; D234-F238 PolarHBondContact O-N 3.14Å
235F75Confident69.8Low49 Ų49101.8 Ų101.822%0.21553%0.528CS..Hα-helixtrans-54.3-41.8178.8-75.3-81.1000109.8F232 A233 F238 F239F232-F235 HydrophobicContact CD1-CD2 4.45Å; A233-F235 WeakPolarHBondContact O-CD2 3.49Å; A233-F235 PolarHBondContact O-N 3.1Å; F235-F238 PolarHBondContact O-N 3.07Å; F235-F239 VanDerWaalsContact C-CD2 3.46Å; F235-F239 HydrophobicContact CB-CD2 4.19Å; F235-F239 HydrophobicContact CB-CE2 3.77Å; F235-F239 HydrophobicContact CD1-CE2 4.35Å; F235-F239 HydrophobicContact CD1-CZ 4.3Å; F235-F239 WeakPolarHBondContact O-CB 3.21Å; F235-F239 WeakPolarHBondContact O-CD2 3.42Å; F235-F239 WeakPolarHBondContact O-CG 3.34Å; F235-F239 PolarHBondContact O-N 3.22Å
236D78.1Confident71Confident99 Ų9999.6 Ų99.653%0.52952%0.519SS..Hα-helixtrans-60.3-48.3174-169.448.2000111.9D234 F238 F239 K240D234-D236 PolarHBondContact O-N 3.24Å; D236-F238 VanDerWaalsContact C-N 3.33Å; D236-F238 PolarHBondContact O-N 2.84Å; D236-F239 PolarHBondContact O-N 2.76Å; D236-K240 WeakPolarHBondContact O-CB 2.96Å; D236-K240 WeakPolarHBondContact O-CG 3.46Å; D236-K240 PolarHBondContact O-N 3.1Å; D236-K240 WeakPolarHBondContact OD1-CE 3.5Å
237A82.4Confident72.3Confident59 Ų59102.9 Ų102.949%0.48853%0.525SS..Hα-helixtrans-62.1-38.4176.400000112.9D234 Y241D234-A237 HydrophobicContact CB-CB 3.64Å; D234-A237 PolarHBondContact O-N 2.76Å; A237-Y241 WeakPolarHBondContact O-CB 3.24Å; A237-Y241 PolarHBondContact O-N 2.86Å
238F83.7Confident73.6Confident119 Ų11997.4 Ų97.452%0.52251%0.513SS..Hα-helixtrans-63.6-47.3172.9167.8-100.5000111.9D234 F235 D236 Y241 C242D234-F238 PolarHBondContact O-N 3.14Å; F235-F238 PolarHBondContact O-N 3.07Å; D236-F238 VanDerWaalsContact C-N 3.33Å; D236-F238 PolarHBondContact O-N 2.84Å; F238-Y241 PolarHBondContact O-N 2.86Å; F238-C242 PolarHBondContact O-N 3Å; F238-C242 PolarHBondContact O-SG 2.86Å; F238-C242 VanDerWaalsContact O-SG 3.39Å
239F86.5Confident75.3Confident2 Ų288.8 Ų88.81%0.00948%0.479CS..Hα-helixtrans-66.9-42.5-179.8-65.5-47000111.9F235 D236 Y241 C242 G243 L244 I249 F257F235-F239 VanDerWaalsContact C-CD2 3.46Å; F235-F239 HydrophobicContact CB-CD2 4.19Å; F235-F239 HydrophobicContact CB-CE2 3.77Å; F235-F239 HydrophobicContact CD1-CE2 4.35Å; F235-F239 HydrophobicContact CD1-CZ 4.3Å; F235-F239 WeakPolarHBondContact O-CB 3.21Å; F235-F239 WeakPolarHBondContact O-CD2 3.42Å; F235-F239 WeakPolarHBondContact O-CG 3.34Å; F235-F239 PolarHBondContact O-N 3.22Å; D236-F239 PolarHBondContact O-N 2.76Å; F239-Y241 VanDerWaalsContact C-N 3.33Å; F239-Y241 PolarHBondContact O-N 2.72Å; F239-C242 CarbonylContact O-C 3.54Å; F239-C242 WeakPolarHBondContact O-CA 3.42Å; F239-C242 WeakPolarHBondContact O-CB 3.39Å; F239-C242 PolarHBondContact O-N 3.2Å; F239-G243 PolarHBondContact O-N 3.31Å; F239-L244 CarbonylContact C-O 3.46Å; F239-L244 HydrophobicContact CB-CB 4.06Å; F239-L244 HydrophobicContact CD1-CD1 3.93Å; F239-L244 PolarHBondContact O-N 3.43Å; F239-I249 HydrophobicContact CB-CD1 3.44Å; F239-I249 VanDerWaalsContact CB-CD1 3.44Å; F239-I249 HydrophobicContact CB-CG1 4.14Å; F239-I249 HydrophobicContact CD1-CG1 4.36Å; F239-I249 HydrophobicContact CD2-CB 4.41Å; F239-I249 HydrophobicContact CD2-CD1 3.5Å; F239-I249 HydrophobicContact CD2-CG1 3.77Å; F239-I249 HydrophobicContact CD2-CG2 3.74Å; F239-I249 HydrophobicContact CE2-CD1 4.38Å; F239-I249 HydrophobicContact CE2-CG1 4.22Å; F239-I249 HydrophobicContact CE2-CG2 3.46Å; F239-I249 VanDerWaalsContact CE2-CG2 3.46Å; F239-I249 HydrophobicContact CG-CD1 3.6Å; F239-I249 HydrophobicContact CG-CG1 3.86Å; F239-I249 HydrophobicContact CZ-CG2 4.1Å; F239-F257 HydrophobicContact CE1-CB 4.36Å; F239-F257 AromaticContact CE1-CD1 3.73Å; F239-F257 HydrophobicContact CE1-CD1 3.73Å; F239-F257 HydrophobicContact CE1-CD2 4.27Å; F239-F257 AromaticContact CE1-CE1 3.96Å; F239-F257 HydrophobicContact CE1-CE1 3.96Å; F239-F257 HydrophobicContact CE1-CE2 4.47Å; F239-F257 AromaticContact CE1-CG 3.88Å; F239-F257 HydrophobicContact CE1-CG 3.88Å; F239-F257 HydrophobicContact CE1-CZ 4.31Å; F239-F257 HydrophobicContact CZ-CB 3.73Å; F239-F257 AromaticContact CZ-CD1 3.88Å; F239-F257 HydrophobicContact CZ-CD1 3.88Å; F239-F257 AromaticContact CZ-CD2 3.72Å; F239-F257 HydrophobicContact CZ-CD2 3.72Å; F239-F257 HydrophobicContact CZ-CE1 4.37Å; F239-F257 HydrophobicContact CZ-CE2 4.24Å; F239-F257 AromaticContact CZ-CG 3.51Å; F239-F257 HydrophobicContact CZ-CG 3.51Å
240K85.5Confident76.7Confident105 Ų10592.2 Ų92.246%0.45749%0.487SS..Hα-helixtrans-63.2-37174.4-63.1-69.5176.8173.10111.8D236 C242 G243 D245D236-K240 WeakPolarHBondContact O-CB 2.96Å; D236-K240 WeakPolarHBondContact O-CG 3.46Å; D236-K240 PolarHBondContact O-N 3.1Å; D236-K240 WeakPolarHBondContact OD1-CE 3.5Å; K240-C242 VanDerWaalsContact C-N 3.34Å; K240-G243 PolarHBondContact O-N 3.01Å; K240-G243 VanDerWaalsContact O-N 3.15Å; K240-D245 IonicContact NZ-OD1 3.55Å; K240-D245 PolarHBondContact NZ-OD1 3.23Å
241Y81.9Confident77.9Confident208 Ų20889.2 Ų89.282%0.81649%0.485SS*.Hα-helixtrans-64-36.7170178-96.2000112.6A237 F238 F239 G243A237-Y241 WeakPolarHBondContact O-CB 3.24Å; A237-Y241 PolarHBondContact O-N 2.86Å; F238-Y241 PolarHBondContact O-N 2.86Å; F239-Y241 VanDerWaalsContact C-N 3.33Å; F239-Y241 PolarHBondContact O-N 2.72Å; Y241-G243 PolarHBondContact O-N 2.82Å
242C84.3Confident78.9Confident66 Ų6688.7 Ų88.745%0.44648%0.481SS..THydrogen-bonded Turntrans-76.6-0.7172.8-70.20000114.4F238 F239 K240 L244F238-C242 PolarHBondContact O-N 3Å; F238-C242 PolarHBondContact O-SG 2.86Å; F238-C242 VanDerWaalsContact O-SG 3.39Å; F239-C242 CarbonylContact O-C 3.54Å; F239-C242 WeakPolarHBondContact O-CA 3.42Å; F239-C242 WeakPolarHBondContact O-CB 3.39Å; F239-C242 PolarHBondContact O-N 3.2Å; K240-C242 VanDerWaalsContact C-N 3.34Å; C242-L244 HydrophobicContact CB-CD1 4.2Å; C242-L244 HydrophobicContact CB-CG 4.32Å; C242-L244 PolarHBondContact O-N 2.87Å
243G85.6Confident79.8Confident69 Ų6982.7 Ų82.771%0.71146%0.458SS*.THydrogen-bonded Turntrans68.516.4-175.500000114.7F239 K240 Y241F239-G243 PolarHBondContact O-N 3.31Å; K240-G243 PolarHBondContact O-N 3.01Å; K240-G243 VanDerWaalsContact O-N 3.15Å; Y241-G243 PolarHBondContact O-N 2.82Å
244L85Confident80.2Confident67 Ų6786.7 Ų86.735%0.35146%0.462SS..  trans-87.2135.6174.3-68.9168.8000109.6F239 C242 I249F239-L244 CarbonylContact C-O 3.46Å; F239-L244 HydrophobicContact CB-CB 4.06Å; F239-L244 HydrophobicContact CD1-CD1 3.93Å; F239-L244 PolarHBondContact O-N 3.43Å; C242-L244 HydrophobicContact CB-CD1 4.2Å; C242-L244 HydrophobicContact CB-CG 4.32Å; C242-L244 PolarHBondContact O-N 2.87Å; L244-I249 HydrophobicContact CB-CD1 4.47Å; L244-I249 HydrophobicContact CB-CG1 4.4Å
245D82.4Confident80.1Confident81 Ų8187.1 Ų87.143%0.43346%0.46SS..  trans-105.2158.4-175.8-16229.1000113.9K240 E247 V248 I249K240-D245 IonicContact NZ-OD1 3.55Å; K240-D245 PolarHBondContact NZ-OD1 3.23Å; D245-E247 VanDerWaalsContact C-N 3.31Å; D245-E247 PolarHBondContact O-N 2.89Å; D245-V248 WeakPolarHBondContact O-CB 3.37Å; D245-V248 PolarHBondContact O-N 3.29Å; D245-I249 VanDerWaalsContact O-CD1 3.25Å; D245-I249 WeakPolarHBondContact O-CD1 3.34Å; D245-I249 WeakPolarHBondContact O-CG1 3.48Å; D245-I249 PolarHBondContact O-N 3.5Å; D245-I249 VanDerWaalsContact O-N 3.1Å
246G80.9Confident79.9Confident32 Ų3290.7 Ų90.733%0.3348%0.482SS..Hα-helixtrans-49.1-47.4-171.200000113.6V248 I249 E250G246-V248 VanDerWaalsContact C-N 3.34Å; G246-V248 PolarHBondContact O-N 3.36Å; G246-I249 PolarHBondContact O-N 3.32Å; G246-E250 WeakPolarHBondContact O-CB 3.27Å; G246-E250 PolarHBondContact O-N 2.91Å
247E79.5Confident79.4Confident148 Ų14889.7 Ų89.769%0.69247%0.473SS*.Hα-helixtrans-64.7-35.4-178.8-56.3-178178.400112.6D245 T251D245-E247 VanDerWaalsContact C-N 3.31Å; D245-E247 PolarHBondContact O-N 2.89Å; E247-T251 WeakPolarHBondContact O-CB 3.48Å; E247-T251 WeakPolarHBondContact O-CG2 3.24Å; E247-T251 PolarHBondContact O-N 3.32Å; E247-T251 PolarHBondContact O-OG1 3.49Å
248V81.9Confident78.3Confident77 Ų7789 Ų8947%0.46747%0.465SS..Hα-helixtrans-72.1-36.4176.6-175.90000110.9D245 G246 T251 L252D245-V248 WeakPolarHBondContact O-CB 3.37Å; D245-V248 PolarHBondContact O-N 3.29Å; G246-V248 VanDerWaalsContact C-N 3.34Å; G246-V248 PolarHBondContact O-N 3.36Å; V248-T251 WeakPolarHBondContact CA-OG1 3.47Å; V248-T251 PolarHBondContact O-OG1 3.01Å; V248-L252 VanDerWaalsContact O-CB 3.24Å; V248-L252 WeakPolarHBondContact O-CB 3.33Å; V248-L252 PolarHBondContact O-N 3.05Å; V248-L252 VanDerWaalsContact O-N 3.1Å
249I82Confident76.9Confident7 Ų788.2 Ų88.24%0.03648%0.48CS..Hα-helixtrans-72.1-36.2178-58.9149000110.7F239 L244 D245 G246 G253 R254 F257F239-I249 HydrophobicContact CB-CD1 3.44Å; F239-I249 VanDerWaalsContact CB-CD1 3.44Å; F239-I249 HydrophobicContact CB-CG1 4.14Å; F239-I249 HydrophobicContact CD1-CG1 4.36Å; F239-I249 HydrophobicContact CD2-CB 4.41Å; F239-I249 HydrophobicContact CD2-CD1 3.5Å; F239-I249 HydrophobicContact CD2-CG1 3.77Å; F239-I249 HydrophobicContact CD2-CG2 3.74Å; F239-I249 HydrophobicContact CE2-CD1 4.38Å; F239-I249 HydrophobicContact CE2-CG1 4.22Å; F239-I249 HydrophobicContact CE2-CG2 3.46Å; F239-I249 VanDerWaalsContact CE2-CG2 3.46Å; F239-I249 HydrophobicContact CG-CD1 3.6Å; F239-I249 HydrophobicContact CG-CG1 3.86Å; F239-I249 HydrophobicContact CZ-CG2 4.1Å; L244-I249 HydrophobicContact CB-CD1 4.47Å; L244-I249 HydrophobicContact CB-CG1 4.4Å; D245-I249 VanDerWaalsContact O-CD1 3.25Å; D245-I249 WeakPolarHBondContact O-CD1 3.34Å; D245-I249 WeakPolarHBondContact O-CG1 3.48Å; D245-I249 PolarHBondContact O-N 3.5Å; D245-I249 VanDerWaalsContact O-N 3.1Å; G246-I249 PolarHBondContact O-N 3.32Å; I249-G253 CarbonylContact O-C 3.5Å; I249-G253 VanDerWaalsContact O-C 3.29Å; I249-G253 PolarHBondContact O-N 2.96Å; I249-G253 VanDerWaalsContact O-N 3.14Å; I249-R254 HydrophobicContact CG2-CB 4.1Å; I249-R254 HydrophobicContact CG2-CG 3.73Å; I249-R254 PolarHBondContact O-N 3.46Å; I249-F257 HydrophobicContact CG2-CE2 4.39Å
250E80.9Confident75.4Confident142 Ų14297 Ų9766%0.66451%0.513SS*.Hα-helixtrans-73.3-45.1177.5-173.5158.464.700111.8G246 L252 G253G246-E250 WeakPolarHBondContact O-CB 3.27Å; G246-E250 PolarHBondContact O-N 2.91Å; E250-L252 PolarHBondContact O-N 3.46Å; E250-G253 PolarHBondContact O-N 3.38Å; E250-G253 VanDerWaalsContact O-N 3.07Å
251T79.9Confident73.7Confident123 Ų12397.2 Ų97.276%0.75553%0.528SS*.Hα-helixtrans-66.8-32.8177.251.30000113.7E247 V248 G253E247-T251 WeakPolarHBondContact O-CB 3.48Å; E247-T251 WeakPolarHBondContact O-CG2 3.24Å; E247-T251 PolarHBondContact O-N 3.32Å; E247-T251 PolarHBondContact O-OG1 3.49Å; V248-T251 WeakPolarHBondContact CA-OG1 3.47Å; V248-T251 PolarHBondContact O-OG1 3.01Å; T251-G253 VanDerWaalsContact C-N 3.31Å
252L74.8Confident72.2Confident103 Ų10394.3 Ų94.354%0.53953%0.527SS..THydrogen-bonded Turntrans-84.9-2.7172.1-172.648.1000113.2V248 E250 N256 F257V248-L252 VanDerWaalsContact O-CB 3.24Å; V248-L252 WeakPolarHBondContact O-CB 3.33Å; V248-L252 PolarHBondContact O-N 3.05Å; V248-L252 VanDerWaalsContact O-N 3.1Å; E250-L252 PolarHBondContact O-N 3.46Å; L252-N256 PolarHBondContact O-ND2 2.92Å; L252-F257 HydrophobicContact CB-CE2 4.31Å; L252-F257 HydrophobicContact CB-CZ 4.5Å; L252-F257 HydrophobicContact CD2-CE2 4.32Å; L252-F257 HydrophobicContact CD2-CZ 3.74Å; L252-F257 HydrophobicContact CG-CE2 4.13Å; L252-F257 HydrophobicContact CG-CZ 4.05Å
253G73.4Confident70.7Confident10 Ų1098 Ų9810%0.10354%0.537CS..  trans78.2113.6179.800000113.3I249 E250 T251 E255 N256 F257I249-G253 CarbonylContact O-C 3.5Å; I249-G253 VanDerWaalsContact O-C 3.29Å; I249-G253 PolarHBondContact O-N 2.96Å; I249-G253 VanDerWaalsContact O-N 3.14Å; E250-G253 PolarHBondContact O-N 3.38Å; E250-G253 VanDerWaalsContact O-N 3.07Å; T251-G253 VanDerWaalsContact C-N 3.31Å; G253-E255 WeakPolarHBondContact CA-OE2 3.46Å; G253-E255 PolarHBondContact O-N 2.81Å; G253-N256 WeakPolarHBondContact O-CB 3.43Å; G253-N256 PolarHBondContact O-N 3.27Å; G253-N256 VanDerWaalsContact O-N 3.07Å; G253-F257 WeakPolarHBondContact O-CD2 3.47Å
254R69.6Low69.2Low135 Ų135100.7 Ų100.751%0.50953%0.534SS..THydrogen-bonded Turntrans-68.7-17.3-177.5-159.6170.175.1-102.5-1.4113I249I249-R254 HydrophobicContact CG2-CB 4.1Å; I249-R254 HydrophobicContact CG2-CG 3.73Å; I249-R254 PolarHBondContact O-N 3.46Å
255E68.3Low67.6Low128 Ų128103.5 Ų103.560%0.59855%0.553SS**THydrogen-bonded Turntrans-81.4-26.5171.960.1-69.9-73.800113.3G253 F257 S258G253-E255 WeakPolarHBondContact CA-OE2 3.46Å; G253-E255 PolarHBondContact O-N 2.81Å; E255-F257 PolarHBondContact O-N 3.25Å; E255-S258 WeakPolarHBondContact O-CB 3.39Å; E255-S258 PolarHBondContact O-N 2.66Å
256N72Confident66.3Low125 Ų125106.6 Ų106.667%0.66857%0.568SS**THydrogen-bonded Turntrans-65.8-22177.7-67.6-55.8000113.2L252 G253L252-N256 PolarHBondContact O-ND2 2.92Å; G253-N256 WeakPolarHBondContact O-CB 3.43Å; G253-N256 PolarHBondContact O-N 3.27Å; G253-N256 VanDerWaalsContact O-N 3.07Å
257F66.4Low64.6Low78 Ų78111.3 Ų111.334%0.34259%0.586SS.*THydrogen-bonded Turntrans-85.4-8.8171.8-61.2-84.7000113.7F239 I249 L252 G253 E255F239-F257 HydrophobicContact CE1-CB 4.36Å; F239-F257 AromaticContact CE1-CD1 3.73Å; F239-F257 HydrophobicContact CE1-CD1 3.73Å; F239-F257 HydrophobicContact CE1-CD2 4.27Å; F239-F257 AromaticContact CE1-CE1 3.96Å; F239-F257 HydrophobicContact CE1-CE1 3.96Å; F239-F257 HydrophobicContact CE1-CE2 4.47Å; F239-F257 AromaticContact CE1-CG 3.88Å; F239-F257 HydrophobicContact CE1-CG 3.88Å; F239-F257 HydrophobicContact CE1-CZ 4.31Å; F239-F257 HydrophobicContact CZ-CB 3.73Å; F239-F257 AromaticContact CZ-CD1 3.88Å; F239-F257 HydrophobicContact CZ-CD1 3.88Å; F239-F257 AromaticContact CZ-CD2 3.72Å; F239-F257 HydrophobicContact CZ-CD2 3.72Å; F239-F257 HydrophobicContact CZ-CE1 4.37Å; F239-F257 HydrophobicContact CZ-CE2 4.24Å; F239-F257 AromaticContact CZ-CG 3.51Å; F239-F257 HydrophobicContact CZ-CG 3.51Å; I249-F257 HydrophobicContact CG2-CE2 4.39Å; L252-F257 HydrophobicContact CB-CE2 4.31Å; L252-F257 HydrophobicContact CB-CZ 4.5Å; L252-F257 HydrophobicContact CD2-CE2 4.32Å; L252-F257 HydrophobicContact CD2-CZ 3.74Å; L252-F257 HydrophobicContact CG-CE2 4.13Å; L252-F257 HydrophobicContact CG-CZ 4.05Å; G253-F257 WeakPolarHBondContact O-CD2 3.47Å; E255-F257 PolarHBondContact O-N 3.25Å
258S60.2Low63Low44 Ų44110.5 Ų110.531%0.30859%0.585SS.*SBendtrans-95.7117.5-177.8-166.90000110.2E255 R260E255-S258 WeakPolarHBondContact O-CB 3.39Å; E255-S258 PolarHBondContact O-N 2.66Å; S258-R260 PolarHBondContact O-N 3.31Å
259A54.4Low61.2Low103 Ų103116.9 Ų116.985%0.85160%0.601SS**  trans-72.228.9-174.300000115.2S261A259-S261 VanDerWaalsContact C-N 3.26Å; A259-S261 PolarHBondContact O-N 3.01Å; A259-S261 VanDerWaalsContact O-N 3.07Å
260R54.6Low59.5Low187 Ų187121.6 Ų121.671%0.70663%0.634SS**  trans-84.964.2175.6-65.6-165.179.3172.66111.8S258 E263S258-R260 PolarHBondContact O-N 3.31Å; R260-E263 IonicContact CZ-OE2 2.64Å; R260-E263 IonicContact NE-OE2 2.67Å; R260-E263 IonicContact NH2-OE2 2.75Å; R260-E263 PolarHBondContact NH2-OE2 3.38Å
261S50.7Low57.7Low109 Ų109119.7 Ų119.776%0.76263%0.632SS**  trans-123.621.8171.3-152.70000112.8A259A259-S261 VanDerWaalsContact C-N 3.26Å; A259-S261 PolarHBondContact O-N 3.01Å; A259-S261 VanDerWaalsContact O-N 3.07Å
262D50.3Low55.7Low147 Ų147118.9 Ų118.979%0.78663%0.632SS**  trans-145.644176.1-122.1-20.3000112.2I264D262-I264 VanDerWaalsContact C-N 3.34Å
263E52.5Low54.1Low142 Ų142122.1 Ų122.166%0.66465%0.648SS**  trans-106.139.9158.5-159.6172.4171.200109.8R260 V265R260-E263 IonicContact CZ-OE2 2.64Å; R260-E263 IonicContact NE-OE2 2.67Å; R260-E263 IonicContact NH2-OE2 2.75Å; R260-E263 PolarHBondContact NH2-OE2 3.38Å; E263-V265 PolarHBondContact O-N 2.91Å; E263-V265 VanDerWaalsContact O-N 3.16Å
264I54.5Low52.4Low127 Ų127126.4 Ų126.465%0.65168%0.676SS**  trans-67.6112.7170-61.4174.9000106.8D262 I266D262-I264 VanDerWaalsContact C-N 3.34Å; I264-I266 WeakPolarHBondContact O-CG1 3.37Å; I264-I266 PolarHBondContact O-N 3.45Å
265V50.2Low51.4Low125 Ų125126.7 Ų126.776%0.75869%0.693SS**  trans-55.9108.7175.2177.30000108.5E263 N267E263-V265 PolarHBondContact O-N 2.91Å; E263-V265 VanDerWaalsContact O-N 3.16Å; V265-N267 HydrophobicContact CG1-CB 4.38Å; V265-N267 PolarHBondContact O-N 2.83Å
266I54.3Low50.1Low146 Ų146126.1 Ų126.175%0.74970%0.703SS**  trans-74.968178.7-30.4175.8000108.8I264 I268I264-I266 WeakPolarHBondContact O-CG1 3.37Å; I264-I266 PolarHBondContact O-N 3.45Å; I266-I268 HydrophobicContact CG2-CD1 4.32Å; I266-I268 HydrophobicContact CG2-CG1 3.81Å; I266-I268 PolarHBondContact O-N 3.1Å
267N46.3Very low48.9Very low132 Ų132128 Ų12871%0.70671%0.713SS**  trans-72.883.6172.9-172.86000108.1V265 R269V265-N267 HydrophobicContact CG1-CB 4.38Å; V265-N267 PolarHBondContact O-N 2.83Å; N267-R269 PolarHBondContact O-N 3.42Å
268I44.9Very low47.7Very low130 Ų130131.9 Ų131.967%0.66774%0.738SS**  trans-68.579.6177.4-54.3174.6000108I266 S270I266-I268 HydrophobicContact CG2-CD1 4.32Å; I266-I268 HydrophobicContact CG2-CG1 3.81Å; I266-I268 PolarHBondContact O-N 3.1Å; I268-S270 PolarHBondContact O-N 3.39Å
269R44.6Very low47Very low212 Ų212132.2 Ų132.280%0.875%0.748SS**  trans-72.781.1169.3-164.2-172.7-177177.61.7108N267 V271N267-R269 PolarHBondContact O-N 3.42Å; R269-V271 HydrophobicContact CG-CG2 3.92Å; R269-V271 PolarHBondContact O-N 2.91Å
270S46.5Very low46.2Very low105 Ų105137 Ų13773%0.73475%0.75SS**  trans-58.392.3174.2-61.30000110.6I268I268-S270 PolarHBondContact O-N 3.39Å
271V43.2Very low45.6Very low103 Ų103134 Ų13462%0.62476%0.757SS**  trans-110.5100.5171.1-171.10000108.1R269 I273R269-V271 HydrophobicContact CG-CG2 3.92Å; R269-V271 PolarHBondContact O-N 2.91Å; V271-I273 PolarHBondContact O-N 2.86Å
272S37.1Very low45.6Very low106 Ų106139.5 Ų139.574%0.74176%0.761SS**  trans-63.2120.3168.946.90000109.6S274S272-S274 VanDerWaalsContact C-N 3.27Å; S272-S274 PolarHBondContact O-N 2.88Å
273I42.6Very low45.1Very low171 Ų171139.6 Ų139.688%0.87776%0.762SS**  trans-68.791.5168.2-62174.5000107.3V271V271-I273 PolarHBondContact O-N 2.86Å
274S37.2Very low44.8Very low99 Ų99137.5 Ų137.569%0.69276%0.763SS**  trans-79.1140.9169.2-157.90000108.8S272 S276S272-S274 VanDerWaalsContact C-N 3.27Å; S272-S274 PolarHBondContact O-N 2.88Å; S274-S276 PolarHBondContact O-N 3.3Å
275T48Very low44.4Very low141 Ų141134.6 Ų134.687%0.86576%0.764SS**  trans-77.3117.3179.350.40000110.7
276S40.9Very low44.3Very low116 Ų116136.1 Ų136.181%0.81177%0.768SS**  trans-130126.5163.657.60000110.1S274S274-S276 PolarHBondContact O-N 3.3Å
277D46.4Very low44.1Very low165 Ų165134.7 Ų134.788%0.88277%0.771SS**  trans-79.3133.1169.7178.444.7000109.5
278D41.9Very low44.3Very low160 Ų160136.3 Ų136.386%0.85678%0.78SS**  trans-158.8153.4155.5-160.89.2000110.1
279G45.8Very low44.6Very low51 Ų51133.1 Ų133.153%0.52678%0.779SS.*  trans-116147.9-167.100000115.1
280F37.1Very low44.7Very low204 Ų204130.7 Ų130.790%0.89578%0.781SS**  trans45.7105.1160.1-75.9-87.1000118.7
281S42.7Very low44.6Very low122 Ų122132.5 Ų132.585%0.85378%0.782SS**  -139.9154.4128.9-165.90000111.2
282R51Low44.7Very low225 Ų225135.1 Ų135.185%0.84979%0.787SS**  trans-131.2119.4174-64.617167.6-175.32.8107.3
283D38.9Very low45.3Very low149 Ų149135 Ų13580%0.79778%0.778SS**  trans-156.2179.5146.6-161.631.8000111.8
284S47.5Very low45.5Very low99 Ų99132.8 Ų132.869%0.69276%0.764SS**  trans-29.7157.3162670000116.3
285G44.6Very low46.1Very low66 Ų66133.1 Ų133.168%0.6876%0.758SS**  cis142.3163.26.500000109.6
286D47.8Very low45.8Very low156 Ų156132.2 Ų132.283%0.83474%0.743SS**  trans63.8112.4-176.9-165.621.1000116.9
287S50Low46.2Very low117 Ų117133.4 Ų133.482%0.81873%0.734SS**  trans176.670.4152.525.90000109.1
288D51.8Low46.3Very low166 Ų166131.5 Ų131.589%0.88872%0.718SS**  trans-71.1154.6168-1655.9000110.8
289G50.9Low46.6Very low63 Ų63128.9 Ų128.965%0.64970%0.703SS**SBendtrans105.317.4166.500000119.7
290L46.2Very low46.6Very low161 Ų161137.5 Ų137.584%0.84372%0.72SS**  trans-126.913.7175.9-81.1180000116.7
291L44.7Very low47.4Very low143 Ų143134.3 Ų134.375%0.74971%0.708SS**SBendtrans-89.1-25.2-175.8-163.666.5000115.2D293 E294L291-D293 PolarHBondContact O-N 3.37Å; L291-E294 WeakPolarHBondContact O-CB 3.39Å; L291-E294 PolarHBondContact O-N 3.03Å
292E46.3Very low48.4Very low157 Ų157132 Ų13273%0.73470%0.703SS**Hα-helixtrans-72.1-34.6-170.6-56.1-127.1123.100112.5E294 L295 H296E292-E294 VanDerWaalsContact C-N 3.3Å; E292-E294 PolarHBondContact O-N 3.42Å; E292-L295 VanDerWaalsContact O-CB 3.22Å; E292-L295 WeakPolarHBondContact O-CB 3.08Å; E292-L295 PolarHBondContact O-N 2.82Å; E292-H296 PolarHBondContact O-CD2 2.78Å; E292-H296 PolarHBondContact O-N 3.3Å
293D48.4Very low49.6Very low104 Ų104123.8 Ų123.856%0.55668%0.678SS**Hα-helixtrans-71.9-23.4-178.6-144.758.1000113.1L291 K297L291-D293 PolarHBondContact O-N 3.37Å; D293-K297 WeakPolarHBondContact O-CD 3.44Å; D293-K297 WeakPolarHBondContact O-CG 3.32Å; D293-K297 IonicContact OD2-NZ 3.61Å; D293-K297 PolarHBondContact OD2-NZ 3.04Å
294E48.3Very low51.9Low125 Ų125119.7 Ų119.758%0.58466%0.661SS**Hα-helixtrans-69.3-35.5168.7-176.478.7-138.200110.9L291 E292 K298L291-E294 WeakPolarHBondContact O-CB 3.39Å; L291-E294 PolarHBondContact O-N 3.03Å; E292-E294 VanDerWaalsContact C-N 3.3Å; E292-E294 PolarHBondContact O-N 3.42Å; E294-K298 PolarHBondContact O-N 2.95Å
295L47.9Very low54.1Low105 Ų105119.4 Ų119.455%0.5565%0.654SS.*Hα-helixtrans-67.8-42.9-176.4-154.7160.8000111E292 K298 I299E292-L295 VanDerWaalsContact O-CB 3.22Å; E292-L295 WeakPolarHBondContact O-CB 3.08Å; E292-L295 PolarHBondContact O-N 2.82Å; L295-K298 VanDerWaalsContact O-CB 3.28Å; L295-K298 WeakPolarHBondContact O-CB 3.41Å; L295-K298 PolarHBondContact O-N 3.39Å; L295-K298 VanDerWaalsContact O-N 3.17Å; L295-I299 PolarHBondContact O-N 2.87Å
296H43.1Very low56.4Low122 Ų122122.8 Ų122.857%0.56566%0.656SS**Hα-helixtrans-70-37178.3-74.8-84.6000113.4E292 K298 I299E292-H296 PolarHBondContact O-CD2 2.78Å; E292-H296 PolarHBondContact O-N 3.3Å; H296-K298 PolarHBondContact O-N 3.41Å; H296-I299 HydrophobicContact CB-CD1 4.49Å; H296-I299 WeakPolarHBondContact O-CB 3.47Å; H296-I299 PolarHBondContact O-N 3.47Å
297K48.4Very low58.7Low141 Ų141118.8 Ų118.861%0.61363%0.632SS**Hα-helixtrans-59.8-28.7170.5-73.3164.2-177.9134.50112.2D293D293-K297 WeakPolarHBondContact O-CD 3.44Å; D293-K297 WeakPolarHBondContact O-CG 3.32Å; D293-K297 IonicContact OD2-NZ 3.61Å; D293-K297 PolarHBondContact OD2-NZ 3.04Å
298K49.9Very low60.9Low126 Ų126118.3 Ų118.355%0.54861%0.612SS.*Hα-helixtrans-76.3-19.5178.9-148.8168.2-170.4165.30114.6E294 L295 H296 W300 Q301E294-K298 PolarHBondContact O-N 2.95Å; L295-K298 VanDerWaalsContact O-CB 3.28Å; L295-K298 WeakPolarHBondContact O-CB 3.41Å; L295-K298 PolarHBondContact O-N 3.39Å; L295-K298 VanDerWaalsContact O-N 3.17Å; H296-K298 PolarHBondContact O-N 3.41Å; K298-W300 PolarHBondContact O-N 2.89Å; K298-Q301 HydrophobicContact CG-CG 4.35Å; K298-Q301 PolarHBondContact O-N 2.97Å
299I47.3Very low63Low105 Ų105114.4 Ų114.454%0.53859%0.592SS.*THydrogen-bonded Turntrans-62.6-27.4178.3-63.4173.6000111.6L295 H296L295-I299 PolarHBondContact O-N 2.87Å; H296-I299 HydrophobicContact CB-CD1 4.49Å; H296-I299 WeakPolarHBondContact O-CB 3.47Å; H296-I299 PolarHBondContact O-N 3.47Å
300W45.6Very low65.2Low232 Ų232114.1 Ų114.188%0.87958%0.583SS**THydrogen-bonded Turntrans-99.415.1-177.1-7162.4000113.8K298 G302K298-W300 PolarHBondContact O-N 2.89Å; W300-G302 PolarHBondContact O-N 2.97Å
301Q54.3Low67.6Low137 Ų137113.7 Ų113.764%0.6457%0.57SS**SBendtrans-65.1104.6161.5-68.3-169.6-15.900108.6K298 T303K298-Q301 HydrophobicContact CG-CG 4.35Å; K298-Q301 PolarHBondContact O-N 2.97Å; Q301-T303 PolarHBondContact O-N 3.33Å; Q301-T303 VanDerWaalsContact O-N 3.1Å
302G63.1Low70.1Confident73 Ų73110.7 Ų110.775%0.75355%0.554SS**  trans-47.7115.4-16800000113.5W300 S304W300-G302 PolarHBondContact O-N 2.97Å; G302-S304 PolarHBondContact O-N 3.4Å
303T77.3Confident72.5Confident53 Ų53107.8 Ų107.833%0.32554%0.542SS..  trans-38.1123.4-167.148.30000113.6Q301 E307 R308Q301-T303 PolarHBondContact O-N 3.33Å; Q301-T303 VanDerWaalsContact O-N 3.1Å; T303-E307 WeakPolarHBondContact CA-OE2 3.46Å; T303-E307 WeakPolarHBondContact CB-OE2 3.43Å; T303-E307 WeakPolarHBondContact CG2-OE2 3.28Å; T303-R308 PolarHBondContact O-NH2 3.06Å; T303-R308 PolarHBondContact OG1-NH2 3.15Å
304S87.3Confident74.8Confident62 Ų62110.9 Ų110.943%0.43455%0.551SS.*  trans-61.3149.5-175.81750000110.9G302 I306 E307 R308G302-S304 PolarHBondContact O-N 3.4Å; S304-I306 PolarHBondContact O-N 3.46Å; S304-I306 PolarHBondContact OG-N 2.94Å; S304-E307 PolarHBondContact N-OE2 2.93Å; S304-E307 WeakPolarHBondContact O-CB 3.38Å; S304-E307 PolarHBondContact O-N 2.83Å; S304-R308 WeakPolarHBondContact O-CB 3.42Å; S304-R308 PolarHBondContact O-N 2.64Å
305V92.5Very high77.1Confident93 Ų93112.9 Ų112.956%0.56455%0.553SS**Hα-helixtrans-55.3-36.9173.8178.80000110.9N309V305-N309 WeakPolarHBondContact O-CB 3.49Å; V305-N309 PolarHBondContact O-N 3.17Å; V305-N309 PolarHBondContact O-ND2 3.16Å; V305-N309 PolarHBondContact O-OD1 3.17Å
306I93.4Very high79.4Confident138 Ų138112.3 Ų112.371%0.70855%0.55SS*.Hα-helixtrans-64.7-42.3176.8-58.9169.9000110.7S304 A310S304-I306 PolarHBondContact O-N 3.46Å; S304-I306 PolarHBondContact OG-N 2.94Å; I306-A310 WeakPolarHBondContact O-CB 3.47Å; I306-A310 PolarHBondContact O-N 3.49Å
307E96.3Very high81.9Confident72 Ų72114.6 Ų114.634%0.33656%0.555SS.*Hα-helixtrans-70.8-43.2179.9-165.7-151.5155.800111.7T303 S304 N309 A310 R311T303-E307 WeakPolarHBondContact CA-OE2 3.46Å; T303-E307 WeakPolarHBondContact CB-OE2 3.43Å; T303-E307 WeakPolarHBondContact CG2-OE2 3.28Å; S304-E307 PolarHBondContact N-OE2 2.93Å; S304-E307 WeakPolarHBondContact O-CB 3.38Å; S304-E307 PolarHBondContact O-N 2.83Å; E307-N309 VanDerWaalsContact C-N 3.32Å; E307-N309 PolarHBondContact O-N 3.11Å; E307-A310 WeakPolarHBondContact O-CB 3.49Å; E307-A310 PolarHBondContact O-N 3.24Å; E307-A310 VanDerWaalsContact O-N 3.16Å; E307-R311 WeakPolarHBondContact O-CG 3.41Å; E307-R311 PolarHBondContact O-N 3.17Å; E307-R311 IonicContact OE1-CZ 3.35Å; E307-R311 IonicContact OE1-NE 2.65Å; E307-R311 PolarHBondContact OE1-NE 3.42Å; E307-R311 IonicContact OE1-NH2 3.19Å; E307-R311 PolarHBondContact OE1-NH2 3.23Å
308R95.9Very high84Confident106 Ų106111.5 Ų111.540%0.455%0.551SS.*Hα-helixtrans-58.2-45.7173.3-172.6177.2-60.699.816.4110.8T303 S304 A310 R311 I312T303-R308 PolarHBondContact O-NH2 3.06Å; T303-R308 PolarHBondContact OG1-NH2 3.15Å; S304-R308 WeakPolarHBondContact O-CB 3.42Å; S304-R308 PolarHBondContact O-N 2.64Å; R308-A310 PolarHBondContact O-N 3.29Å; R308-R311 PolarHBondContact O-N 3.35Å; R308-I312 HydrophobicContact CG-CD1 4.05Å; R308-I312 VanDerWaalsContact O-CG1 3.27Å; R308-I312 WeakPolarHBondContact O-CG1 3.42Å; R308-I312 PolarHBondContact O-N 2.83Å
309N96Very high86Confident85 Ų85108 Ų10846%0.45554%0.542SS..Hα-helixtrans-62.4-41.9174.9-69.5-4.5000111.6V305 E307 I312 I313V305-N309 WeakPolarHBondContact O-CB 3.49Å; V305-N309 PolarHBondContact O-N 3.17Å; V305-N309 PolarHBondContact O-ND2 3.16Å; V305-N309 PolarHBondContact O-OD1 3.17Å; E307-N309 VanDerWaalsContact C-N 3.32Å; E307-N309 PolarHBondContact O-N 3.11Å; N309-I312 PolarHBondContact O-N 3.04Å; N309-I313 WeakPolarHBondContact O-CB 3.44Å; N309-I313 WeakPolarHBondContact O-CD1 3.27Å; N309-I313 VanDerWaalsContact O-CG1 3.24Å; N309-I313 WeakPolarHBondContact O-CG1 2.92Å; N309-I313 PolarHBondContact O-N 2.75Å
310A97.4Very high88Confident56 Ų56108.8 Ų108.846%0.46354%0.542SS..Hα-helixtrans-64-41175.800000112.7I306 E307 R308 I313 K314I306-A310 WeakPolarHBondContact O-CB 3.47Å; I306-A310 PolarHBondContact O-N 3.49Å; E307-A310 WeakPolarHBondContact O-CB 3.49Å; E307-A310 PolarHBondContact O-N 3.24Å; E307-A310 VanDerWaalsContact O-N 3.16Å; R308-A310 PolarHBondContact O-N 3.29Å; A310-I313 PolarHBondContact O-N 3.42Å; A310-K314 WeakPolarHBondContact O-CB 3.49Å; A310-K314 PolarHBondContact O-N 3.1Å
311R96.8Very high89.9Confident152 Ų152103.2 Ų103.257%0.57453%0.529SS*.Hα-helixtrans-61.9-45.8173.5-70.5178.3-176-140.67.5111.2E307 R308 K314 W315E307-R311 WeakPolarHBondContact O-CG 3.41Å; E307-R311 PolarHBondContact O-N 3.17Å; E307-R311 IonicContact OE1-CZ 3.35Å; E307-R311 IonicContact OE1-NE 2.65Å; E307-R311 PolarHBondContact OE1-NE 3.42Å; E307-R311 IonicContact OE1-NH2 3.19Å; E307-R311 PolarHBondContact OE1-NH2 3.23Å; R308-R311 PolarHBondContact O-N 3.35Å; R311-K314 PolarHBondContact O-N 3.22Å; R311-W315 WeakPolarHBondContact O-CB 3.39Å; R311-W315 PolarHBondContact O-N 3.41Å
312I96.4Very high91.2Very high80 Ų8099.8 Ų99.841%0.4152%0.524SS..Hα-helixtrans-60.8-47.3176.2-69.2163.4000111.1R308 N309 K314 W315 L316R308-I312 HydrophobicContact CG-CD1 4.05Å; R308-I312 VanDerWaalsContact O-CG1 3.27Å; R308-I312 WeakPolarHBondContact O-CG1 3.42Å; R308-I312 PolarHBondContact O-N 2.83Å; N309-I312 PolarHBondContact O-N 3.04Å; I312-K314 PolarHBondContact O-N 3.22Å; I312-W315 PolarHBondContact O-N 2.95Å; I312-L316 HydrophobicContact CG2-CD1 3.87Å; I312-L316 HydrophobicContact CG2-CG 4.33Å; I312-L316 WeakPolarHBondContact O-CB 3.49Å; I312-L316 WeakPolarHBondContact O-CG 3.24Å; I312-L316 PolarHBondContact O-N 3.43Å
313I96.1Very high91.9Very high96 Ų9698.9 Ų98.949%0.49251%0.506SS..Hα-helixtrans-61.3-47178-68.8163.3000110.5N309 A310 W315 L316 Y317N309-I313 WeakPolarHBondContact O-CB 3.44Å; N309-I313 WeakPolarHBondContact O-CD1 3.27Å; N309-I313 VanDerWaalsContact O-CG1 3.24Å; N309-I313 WeakPolarHBondContact O-CG1 2.92Å; N309-I313 PolarHBondContact O-N 2.75Å; A310-I313 PolarHBondContact O-N 3.42Å; I313-W315 VanDerWaalsContact C-N 3.31Å; I313-W315 PolarHBondContact O-N 3.41Å; I313-L316 PolarHBondContact O-N 3.35Å; I313-Y317 HydrophobicContact CG2-CD2 3.9Å; I313-Y317 HydrophobicContact CG2-CE2 4.11Å; I313-Y317 WeakPolarHBondContact O-CD2 3.28Å; I313-Y317 PolarHBondContact O-N 2.91Å
314K96.5Very high91.9Very high170 Ų17099.1 Ų99.174%0.73951%0.505SS*.Hα-helixtrans-60.1-41.3177.4-173.4178.3179.3-177.20111.8A310 R311 I312 S318A310-K314 WeakPolarHBondContact O-CB 3.49Å; A310-K314 PolarHBondContact O-N 3.1Å; R311-K314 PolarHBondContact O-N 3.22Å; I312-K314 PolarHBondContact O-N 3.22Å; K314-S318 WeakPolarHBondContact O-CB 3.19Å; K314-S318 PolarHBondContact O-N 2.94Å
315W97.3Very high91.2Very high167 Ų16798.5 Ų98.563%0.63350%0.504SS*.Hα-helixtrans-65.7-46.7176.6178.973.5000112.3R311 I312 I313 Y317 S318 C319R311-W315 WeakPolarHBondContact O-CB 3.39Å; R311-W315 PolarHBondContact O-N 3.41Å; I312-W315 PolarHBondContact O-N 2.95Å; I313-W315 VanDerWaalsContact C-N 3.31Å; I313-W315 PolarHBondContact O-N 3.41Å; W315-Y317 VanDerWaalsContact C-N 3.35Å; W315-Y317 PolarHBondContact O-N 2.87Å; W315-S318 WeakPolarHBondContact O-CB 3.42Å; W315-S318 PolarHBondContact O-N 2.91Å; W315-S318 VanDerWaalsContact O-N 3.1Å; W315-C319 VanDerWaalsContact CE2-SG 3.51Å; W315-C319 PolarHBondContact O-N 3.44Å; W315-C319 PolarHBondContact O-SG 3.49Å
316L96.7Very high89.7Confident92 Ų9295.8 Ų95.848%0.48250%0.495SS..Hα-helixtrans-60.2-41.8176.4-72.4171.9000112.2I312 I313 C319 K320I312-L316 HydrophobicContact CG2-CD1 3.87Å; I312-L316 HydrophobicContact CG2-CG 4.33Å; I312-L316 WeakPolarHBondContact O-CB 3.49Å; I312-L316 WeakPolarHBondContact O-CG 3.24Å; I312-L316 PolarHBondContact O-N 3.43Å; I313-L316 PolarHBondContact O-N 3.35Å; L316-C319 PolarHBondContact O-N 3.49Å; L316-K320 WeakPolarHBondContact O-CB 3.39Å; L316-K320 PolarHBondContact O-N 3.04Å
317Y95.7Very high88.1Confident170 Ų17093.9 Ų93.967%0.66748%0.481SS*.Hα-helixtrans-66.2-36.7173.6-91.6-87.6000112.4I313 W315 K320 N321I313-Y317 HydrophobicContact CG2-CD2 3.9Å; I313-Y317 HydrophobicContact CG2-CE2 4.11Å; I313-Y317 WeakPolarHBondContact O-CD2 3.28Å; I313-Y317 PolarHBondContact O-N 2.91Å; W315-Y317 VanDerWaalsContact C-N 3.35Å; W315-Y317 PolarHBondContact O-N 2.87Å; Y317-K320 PolarHBondContact O-N 3.39Å; Y317-N321 VanDerWaalsContact O-CB 3.28Å; Y317-N321 WeakPolarHBondContact O-CB 3.16Å; Y317-N321 PolarHBondContact O-N 3.48Å
318S93.3Very high86.3Confident76 Ų7694.6 Ų94.653%0.53149%0.491SS..Hα-helixtrans-67.2-41.3175.1-169.20000112.1K314 W315 N321 A322K314-S318 WeakPolarHBondContact O-CB 3.19Å; K314-S318 PolarHBondContact O-N 2.94Å; W315-S318 WeakPolarHBondContact O-CB 3.42Å; W315-S318 PolarHBondContact O-N 2.91Å; W315-S318 VanDerWaalsContact O-N 3.1Å; S318-N321 PolarHBondContact O-N 2.89Å; S318-A322 WeakPolarHBondContact O-CB 3.39Å; S318-A322 PolarHBondContact O-N 3.04Å
319C90.9Very high84.3Confident53 Ų5395.3 Ų95.336%0.35850%0.502SS..Hα-helixtrans-64.4-43.4174-64.80000111.5W315 L316 A322 S323W315-C319 VanDerWaalsContact CE2-SG 3.51Å; W315-C319 PolarHBondContact O-N 3.44Å; W315-C319 PolarHBondContact O-SG 3.49Å; L316-C319 PolarHBondContact O-N 3.49Å; C319-A322 PolarHBondContact O-N 3.4Å; C319-S323 PolarHBondContact O-N 3.06Å
320K89.4Confident82.5Confident122 Ų122100.1 Ų100.153%0.5351%0.514SS..Hα-helixtrans-59.6-49.8173.6179.1172.8176.31790110.9L316 Y317 A322 S323 D324L316-K320 WeakPolarHBondContact O-CB 3.39Å; L316-K320 PolarHBondContact O-N 3.04Å; Y317-K320 PolarHBondContact O-N 3.39Å; K320-A322 VanDerWaalsContact C-N 3.33Å; K320-A322 PolarHBondContact O-N 2.79Å; K320-S323 CarbonylContact O-C 3.55Å; K320-S323 WeakPolarHBondContact O-CA 3.41Å; K320-S323 WeakPolarHBondContact O-CB 3.22Å; K320-S323 PolarHBondContact O-N 2.86Å; K320-S323 PolarHBondContact O-OG 3.23Å; K320-D324 WeakPolarHBondContact CE-OD2 3.45Å; K320-D324 VanDerWaalsContact CG-OD2 3.27Å; K320-D324 WeakPolarHBondContact CG-OD2 3.46Å; K320-D324 PolarHBondContact O-N 3.08Å
321N86.1Confident80.4Confident115 Ų115103.7 Ų103.762%0.61553%0.525SS*.Hα-helixtrans-59.4-41.5179.5-171.191.9000112.2Y317 S318 D324 A325Y317-N321 VanDerWaalsContact O-CB 3.28Å; Y317-N321 WeakPolarHBondContact O-CB 3.16Å; Y317-N321 PolarHBondContact O-N 3.48Å; S318-N321 PolarHBondContact O-N 2.89Å; N321-D324 PolarHBondContact O-N 3.39Å; N321-A325 VanDerWaalsContact O-CB 3.24Å; N321-A325 WeakPolarHBondContact O-CB 3.49Å; N321-A325 PolarHBondContact O-N 2.86Å
322A80.9Confident78.6Confident64 Ų64103.4 Ų103.453%0.52953%0.534SS..Hα-helixtrans-62.7-41.5173.100000111.8S318 C319 K320 G326S318-A322 WeakPolarHBondContact O-CB 3.39Å; S318-A322 PolarHBondContact O-N 3.04Å; C319-A322 PolarHBondContact O-N 3.4Å; K320-A322 VanDerWaalsContact C-N 3.33Å; K320-A322 PolarHBondContact O-N 2.79Å; A322-G326 PolarHBondContact O-N 3.26Å
323S77.8Confident76Confident54 Ų54109.4 Ų109.438%0.37857%0.567SS.*Hα-helixtrans-67-34.2176.386.60000113.3C319 K320 K327C319-S323 PolarHBondContact O-N 3.06Å; K320-S323 CarbonylContact O-C 3.55Å; K320-S323 WeakPolarHBondContact O-CA 3.41Å; K320-S323 WeakPolarHBondContact O-CB 3.22Å; K320-S323 PolarHBondContact O-N 2.86Å; K320-S323 PolarHBondContact O-OG 3.23Å; S323-K327 WeakPolarHBondContact O-CD 3.48Å; S323-K327 WeakPolarHBondContact O-CE 3.5Å; S323-K327 WeakPolarHBondContact O-CG 3.36Å; S323-K327 PolarHBondContact O-N 3.43Å; S323-K327 PolarHBondContact OG-NZ 2.94Å
324D76.6Confident75Confident58 Ų58110.1 Ų110.131%0.3157%0.571SS.*Hα-helixtrans-80.2-40.6-178.7-69.2-20000110.9K320 N321 G326 K327 T328K320-D324 WeakPolarHBondContact CE-OD2 3.45Å; K320-D324 VanDerWaalsContact CG-OD2 3.27Å; K320-D324 WeakPolarHBondContact CG-OD2 3.46Å; K320-D324 PolarHBondContact O-N 3.08Å; N321-D324 PolarHBondContact O-N 3.39Å; D324-G326 VanDerWaalsContact C-N 3.29Å; D324-G326 PolarHBondContact O-N 2.96Å; D324-K327 WeakPolarHBondContact O-CB 3.48Å; D324-K327 PolarHBondContact O-N 2.8Å; D324-K327 IonicContact OD1-NZ 3.8Å; D324-K327 PolarHBondContact OD1-NZ 3.47Å; D324-T328 PolarHBondContact O-N 3.02Å; D324-T328 VanDerWaalsContact O-N 3.1Å; D324-T328 PolarHBondContact O-OG1 3.44Å
325A73Confident73.9Confident50 Ų50106.9 Ų106.941%0.41356%0.562SS.*Hα-helixtrans-60.4-38.3170.400000112.2N321 K327 T328 L329N321-A325 VanDerWaalsContact O-CB 3.24Å; N321-A325 WeakPolarHBondContact O-CB 3.49Å; N321-A325 PolarHBondContact O-N 2.86Å; A325-K327 PolarHBondContact O-N 3.46Å; A325-T328 WeakPolarHBondContact CA-OG1 3.33Å; A325-T328 PolarHBondContact O-N 3.02Å; A325-T328 PolarHBondContact O-OG1 3.43Å; A325-L329 PolarHBondContact O-N 3.36Å
326G60.8Low72.6Confident36 Ų36103.6 Ų103.637%0.37156%0.558SS.*Hα-helixtrans-70.8-7.4173.600000115.2A322 D324A322-G326 PolarHBondContact O-N 3.26Å; D324-G326 VanDerWaalsContact C-N 3.29Å; D324-G326 PolarHBondContact O-N 2.96Å
327K59.9Low71.2Confident97 Ų97104.2 Ų104.242%0.42256%0.562SS.*Hα-helixtrans-92.3-48.9168.5-65.8156.9-156.4153.80110S323 D324 A325 L329 R330 D331S323-K327 WeakPolarHBondContact O-CD 3.48Å; S323-K327 WeakPolarHBondContact O-CE 3.5Å; S323-K327 WeakPolarHBondContact O-CG 3.36Å; S323-K327 PolarHBondContact O-N 3.43Å; S323-K327 PolarHBondContact OG-NZ 2.94Å; D324-K327 WeakPolarHBondContact O-CB 3.48Å; D324-K327 PolarHBondContact O-N 2.8Å; D324-K327 IonicContact OD1-NZ 3.8Å; D324-K327 PolarHBondContact OD1-NZ 3.47Å; A325-K327 PolarHBondContact O-N 3.46Å; K327-L329 PolarHBondContact O-N 3.5Å; K327-R330 WeakPolarHBondContact O-CA 3.41Å; K327-R330 PolarHBondContact O-N 3.24Å; K327-D331 PolarHBondContact O-N 3.45Å
328T58.5Low69.6Low88 Ų88100.1 Ų100.154%0.5456%0.556SS.*Hα-helixtrans-60.8-18.9179.551.10000114.6D324 A325 L332D324-T328 PolarHBondContact O-N 3.02Å; D324-T328 VanDerWaalsContact O-N 3.1Å; D324-T328 PolarHBondContact O-OG1 3.44Å; A325-T328 WeakPolarHBondContact CA-OG1 3.33Å; A325-T328 PolarHBondContact O-N 3.02Å; A325-T328 PolarHBondContact O-OG1 3.43Å; T328-L332 WeakPolarHBondContact O-CD1 3.17Å
329L54.3Low68Low121 Ų121101.7 Ų101.763%0.63456%0.558SS**THydrogen-bonded Turntrans-79.7-26.7171.7-168.5145.3000112.8A325 K327A325-L329 PolarHBondContact O-N 3.36Å; K327-L329 PolarHBondContact O-N 3.5Å
330R57.1Low66.4Low186 Ų186105.2 Ų105.270%0.70257%0.572SS**THydrogen-bonded Turntrans-93.8-3.1178.1-62.2-152.1-51.5-108.11.9114.7K327K327-R330 WeakPolarHBondContact O-CA 3.41Å; K327-R330 PolarHBondContact O-N 3.24Å
331D55.2Low64.6Low131 Ų131103.9 Ų103.970%0.70158%0.575SS**SBendtrans-93.420.3169.5-59.5-37000111.1K327K327-D331 PolarHBondContact O-N 3.45Å
332L57.7Low62.8Low146 Ų146103 Ų10376%0.76457%0.572SS**  trans-135.73.9-175.4-71.7176.7000114.5T328T328-L332 WeakPolarHBondContact O-CD1 3.17Å
333D42.4Very low61.2Low205 Ų205106.5 Ų106.5100%1.09658%0.575SS**  trans-108.90171.3-73.6-43.6000109.9

Retrieved 333 of 333 residues in 74.3 ms (Link to these results)