A0A3Q0KKV9_SCHMA Loading...

Putative aquaglyceroporin

AlphaFold DB , UniProt , Accession A0A3Q0KKV9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 332 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
1M53.1Low60.9Low226 Ų226109.8 Ų109.8100%1.11360%0.597SS**  0-11.60-86.1160110.800114.2
2S58.4Low61.7Low78 Ų78116.1 Ų116.155%0.54561%0.606SS.*  trans-79.7-38.3177.1700000114.2H4 N5 D6S2-H4 PolarHBondContact O-N 3.46Å; S2-N5 PolarHBondContact O-N 3.29Å; S2-D6 PolarHBondContact O-N 3.24Å
3N57.2Low62.4Low137 Ų137119.4 Ų119.473%0.73361%0.607SS**Hα-helixtrans-59.2-21.3-178.3-68.4-2.8000115.2
4H57.7Low63.1Low129 Ų129117.9 Ų117.960%0.59760%0.596SS**Hα-helixtrans-83.3-28.1178-158.8-19.3000112.4S2 S7 I8S2-H4 PolarHBondContact O-N 3.46Å; H4-S7 PolarHBondContact O-OG 3.4Å; H4-S7 VanDerWaalsContact O-OG 3.11Å; H4-I8 WeakPolarHBondContact O-CD1 3.29Å; H4-I8 VanDerWaalsContact O-CG1 3.32Å; H4-I8 WeakPolarHBondContact O-CG1 3.43Å; H4-I8 PolarHBondContact O-N 3.45Å
5N58Low63.7Low96 Ų96114.3 Ų114.351%0.51358%0.583SS.*Hα-helixtrans-76.4-33.8178-73.2-10.3000111.3S2 S7 I8 H9S2-N5 PolarHBondContact O-N 3.29Å; N5-S7 PolarHBondContact O-N 3.12Å; N5-I8 PolarHBondContact O-N 3.49Å; N5-H9 PolarHBondContact O-CD2 2.89Å; N5-H9 VanDerWaalsContact O-CD2 3.31Å; N5-H9 PolarHBondContact O-N 3.05Å
6D58.6Low64.5Low101 Ų101115.2 Ų115.254%0.5458%0.582SS.*Hα-helixtrans-66.2-37.6178.8-61.4-29.1000112S2 H9 C10S2-D6 PolarHBondContact O-N 3.24Å; D6-H9 PolarHBondContact O-N 3.36Å; D6-C10 WeakPolarHBondContact O-CB 3.45Å; D6-C10 PolarHBondContact O-N 3.17Å
7S62.5Low64.8Low56 Ų56111.8 Ų111.839%0.39257%0.565SS.*Hα-helixtrans-69.8-35.7176.873.20000112.6H4 N5 T11H4-S7 PolarHBondContact O-OG 3.4Å; H4-S7 VanDerWaalsContact O-OG 3.11Å; N5-S7 PolarHBondContact O-N 3.12Å; S7-T11 WeakPolarHBondContact O-CB 3.35Å; S7-T11 PolarHBondContact O-N 2.76Å; S7-T11 PolarHBondContact O-OG1 3.37Å
8I64.1Low64.9Low75 Ų75112.1 Ų112.139%0.38556%0.561SS.*Hα-helixtrans-68.4-42.2176.6-66.5167.9000110.5H4 N5 T11 R12H4-I8 WeakPolarHBondContact O-CD1 3.29Å; H4-I8 VanDerWaalsContact O-CG1 3.32Å; H4-I8 WeakPolarHBondContact O-CG1 3.43Å; H4-I8 PolarHBondContact O-N 3.45Å; N5-I8 PolarHBondContact O-N 3.49Å; I8-T11 PolarHBondContact O-N 3.4Å; I8-R12 WeakPolarHBondContact O-CG 3.44Å; I8-R12 PolarHBondContact O-N 3.46Å
9H63.1Low65.1Low136 Ų136112.6 Ų112.663%0.6356%0.562SS**Hα-helixtrans-64.7-44.8175.4-87.1-75.6000112.2N5 D6 T11 R12 Y13N5-H9 PolarHBondContact O-CD2 2.89Å; N5-H9 VanDerWaalsContact O-CD2 3.31Å; N5-H9 PolarHBondContact O-N 3.05Å; D6-H9 PolarHBondContact O-N 3.36Å; H9-T11 VanDerWaalsContact C-N 3.33Å; H9-T11 PolarHBondContact O-N 3.19Å; H9-R12 PolarHBondContact O-N 2.98Å; H9-Y13 WeakPolarHBondContact O-CB 3.41Å; H9-Y13 PolarHBondContact O-N 3.01Å
10C66.1Low65.2Low87 Ų87112.6 Ų112.659%0.58856%0.558SS**Hα-helixtrans-60-43.5176.8-172.10000111.7D6 Y13 H14D6-C10 WeakPolarHBondContact O-CB 3.45Å; D6-C10 PolarHBondContact O-N 3.17Å; C10-Y13 PolarHBondContact O-N 3.24Å; C10-H14 WeakPolarHBondContact O-CB 3.21Å; C10-H14 PolarHBondContact O-N 2.95Å
11T71Confident65Low87 Ų87112.4 Ų112.453%0.53456%0.558SS.*Hα-helixtrans-67.1-40.5179.5-51.70000111.9S7 I8 H9 T15S7-T11 WeakPolarHBondContact O-CB 3.35Å; S7-T11 PolarHBondContact O-N 2.76Å; S7-T11 PolarHBondContact O-OG1 3.37Å; I8-T11 PolarHBondContact O-N 3.4Å; H9-T11 VanDerWaalsContact C-N 3.33Å; H9-T11 PolarHBondContact O-N 3.19Å; T11-T15 WeakPolarHBondContact O-CB 3.5Å; T11-T15 PolarHBondContact O-N 3.4Å; T11-T15 PolarHBondContact O-OG1 2.98Å
12R71Confident65.4Low185 Ų185108.1 Ų108.170%0.69854%0.536SS*.Hα-helixtrans-67.2-40176.2-73.7-178.783.1164.15.1112.3I8 H9 T15 F16I8-R12 WeakPolarHBondContact O-CG 3.44Å; I8-R12 PolarHBondContact O-N 3.46Å; H9-R12 PolarHBondContact O-N 2.98Å; R12-T15 PolarHBondContact O-N 2.97Å; R12-F16 WeakPolarHBondContact O-CB 3.39Å; R12-F16 PolarHBondContact O-N 3.48Å
13Y70.3Confident65.4Low159 Ų159112.9 Ų112.962%0.62455%0.547SS*.Hα-helixtrans-63.5-46.5175.6-175.7-104.3000111.5H9 C10 T15 F16 I17H9-Y13 WeakPolarHBondContact O-CB 3.41Å; H9-Y13 PolarHBondContact O-N 3.01Å; C10-Y13 PolarHBondContact O-N 3.24Å; Y13-T15 VanDerWaalsContact C-N 3.32Å; Y13-T15 PolarHBondContact O-N 2.98Å; Y13-F16 PolarHBondContact O-N 3.42Å; Y13-I17 HydrophobicContact CD1-CD1 3.69Å; Y13-I17 HydrophobicContact CD1-CG1 4.46Å; Y13-I17 HydrophobicContact CE1-CD1 3.14Å; Y13-I17 HydrophobicContact CE1-CG1 4.19Å; Y13-I17 HydrophobicContact CE2-CD1 4.23Å; Y13-I17 HydrophobicContact CG-CD1 4.43Å; Y13-I17 VanDerWaalsContact CZ-CD1 3.45Å; Y13-I17 WeakPolarHBondContact O-CG1 3.22Å; Y13-I17 PolarHBondContact O-N 2.92Å
14H73Confident65.4Low98 Ų98109.9 Ų109.945%0.45453%0.53SS..Hα-helixtrans-63.3-38.1177.4-167.869.5000112.5C10 K18C10-H14 WeakPolarHBondContact O-CB 3.21Å; C10-H14 PolarHBondContact O-N 2.95Å; H14-K18 WeakPolarHBondContact NE2-CE 3.43Å; H14-K18 PolarHBondContact NE2-NZ 3.27Å; H14-K18 WeakPolarHBondContact O-CB 3.38Å; H14-K18 WeakPolarHBondContact O-CG 3.49Å; H14-K18 PolarHBondContact O-N 3.28Å
15T71.6Confident65.2Low65 Ų65107.3 Ų107.340%0.39952%0.518SS..Hα-helixtrans-69-40.7175.8-51.90000111.6T11 R12 Y13 K18 Q19T11-T15 WeakPolarHBondContact O-CB 3.5Å; T11-T15 PolarHBondContact O-N 3.4Å; T11-T15 PolarHBondContact O-OG1 2.98Å; R12-T15 PolarHBondContact O-N 2.97Å; Y13-T15 VanDerWaalsContact C-N 3.32Å; Y13-T15 PolarHBondContact O-N 2.98Å; T15-K18 PolarHBondContact O-N 2.84Å; T15-Q19 WeakPolarHBondContact O-CB 3.35Å; T15-Q19 WeakPolarHBondContact O-CG 3.27Å; T15-Q19 PolarHBondContact O-N 3.44Å
16F76.2Confident65Low128 Ų128105 Ų10556%0.56151%0.505SS*.Hα-helixtrans-63.6-44.3175.2179.9-99.2000111.7R12 Y13 Q19 F20R12-F16 WeakPolarHBondContact O-CB 3.39Å; R12-F16 PolarHBondContact O-N 3.48Å; Y13-F16 PolarHBondContact O-N 3.42Å; F16-Q19 PolarHBondContact O-N 3.2Å; F16-F20 WeakPolarHBondContact O-CB 3.15Å; F16-F20 PolarHBondContact O-N 3Å
17I70.1Confident64.8Low58 Ų58105.8 Ų105.830%0.29751%0.514SS..Hα-helixtrans-60.1-48.8173.8-74.4179.7000110.7Y13 Q19 F20 I21Y13-I17 HydrophobicContact CD1-CD1 3.69Å; Y13-I17 HydrophobicContact CD1-CG1 4.46Å; Y13-I17 HydrophobicContact CE1-CD1 3.14Å; Y13-I17 HydrophobicContact CE1-CG1 4.19Å; Y13-I17 HydrophobicContact CE2-CD1 4.23Å; Y13-I17 HydrophobicContact CG-CD1 4.43Å; Y13-I17 VanDerWaalsContact CZ-CD1 3.45Å; Y13-I17 WeakPolarHBondContact O-CG1 3.22Å; Y13-I17 PolarHBondContact O-N 2.92Å; I17-Q19 VanDerWaalsContact C-N 3.29Å; I17-Q19 PolarHBondContact O-N 3.43Å; I17-F20 PolarHBondContact O-N 3.03Å; I17-F20 VanDerWaalsContact O-N 3.15Å; I17-I21 HydrophobicContact CG2-CD1 3.49Å; I17-I21 VanDerWaalsContact CG2-CD1 3.49Å; I17-I21 HydrophobicContact CG2-CG1 4.18Å; I17-I21 WeakPolarHBondContact O-CB 3.29Å; I17-I21 VanDerWaalsContact O-CG1 3.23Å; I17-I21 WeakPolarHBondContact O-CG1 3.04Å; I17-I21 PolarHBondContact O-N 3.26Å
18K66.9Low64.7Low116 Ų116110.2 Ų110.250%0.50453%0.526SS..Hα-helixtrans-60.4-39.1177.8-83178164166.90112.2H14 T15 H22H14-K18 WeakPolarHBondContact NE2-CE 3.43Å; H14-K18 PolarHBondContact NE2-NZ 3.27Å; H14-K18 WeakPolarHBondContact O-CB 3.38Å; H14-K18 WeakPolarHBondContact O-CG 3.49Å; H14-K18 PolarHBondContact O-N 3.28Å; T15-K18 PolarHBondContact O-N 2.84Å; K18-H22 WeakPolarHBondContact O-CB 3.27Å; K18-H22 PolarHBondContact O-N 3.49Å
19Q68.1Low64.8Low123 Ų123114.9 Ų114.958%0.57554%0.539SS*.Hα-helixtrans-67.4-39.4174.3-78.1178.2-5.900112.2T15 F16 I17 H22 F23T15-Q19 WeakPolarHBondContact O-CB 3.35Å; T15-Q19 WeakPolarHBondContact O-CG 3.27Å; T15-Q19 PolarHBondContact O-N 3.44Å; F16-Q19 PolarHBondContact O-N 3.2Å; I17-Q19 VanDerWaalsContact C-N 3.29Å; I17-Q19 PolarHBondContact O-N 3.43Å; Q19-H22 PolarHBondContact O-N 2.85Å; Q19-F23 WeakPolarHBondContact O-CB 3.33Å; Q19-F23 PolarHBondContact O-N 3.09Å
20F66.6Low65.1Low111 Ų111111.7 Ų111.749%0.48753%0.531SS..Hα-helixtrans-68.2-39.4176.9-160.8-100.7000111.5F16 I17 F23 I24F16-F20 WeakPolarHBondContact O-CB 3.15Å; F16-F20 PolarHBondContact O-N 3Å; I17-F20 PolarHBondContact O-N 3.03Å; I17-F20 VanDerWaalsContact O-N 3.15Å; F20-F23 PolarHBondContact O-N 3.33Å; F20-I24 HydrophobicContact CD1-CD1 3.81Å; F20-I24 HydrophobicContact CD1-CG1 4.44Å; F20-I24 HydrophobicContact CE1-CD1 3.33Å; F20-I24 HydrophobicContact CE1-CG1 4.27Å; F20-I24 HydrophobicContact CZ-CD1 3.88Å; F20-I24 WeakPolarHBondContact O-CB 3.18Å; F20-I24 WeakPolarHBondContact O-CG1 3.48Å; F20-I24 PolarHBondContact O-N 3.4Å
21I62.5Low65.6Low109 Ų109111 Ų11156%0.55952%0.517SS*.Hα-helixtrans-65.1-38.3171.7-68.2169.7000111I17 I24I17-I21 HydrophobicContact CG2-CD1 3.49Å; I17-I21 VanDerWaalsContact CG2-CD1 3.49Å; I17-I21 HydrophobicContact CG2-CG1 4.18Å; I17-I21 WeakPolarHBondContact O-CB 3.29Å; I17-I21 VanDerWaalsContact O-CG1 3.23Å; I17-I21 WeakPolarHBondContact O-CG1 3.04Å; I17-I21 PolarHBondContact O-N 3.26Å; I21-I24 CarbonylContact O-C 3.57Å
22H59.9Low66Low137 Ų137110.7 Ų110.763%0.63451%0.512SS*.Hα-helixtrans-73.3-32.4174.2-106-73.5000113.2K18 Q19 H25K18-H22 WeakPolarHBondContact O-CB 3.27Å; K18-H22 PolarHBondContact O-N 3.49Å; Q19-H22 PolarHBondContact O-N 2.85Å; H22-H25 WeakPolarHBondContact O-CB 3.48Å; H22-H25 PolarHBondContact O-N 3.37Å
23F59.3Low66.4Low178 Ų178103.4 Ų103.478%0.78149%0.489SS*.Hα-helixtrans-69.8-44.6176.8-178.1-98.5000110.4Q19 F20 H25Q19-F23 WeakPolarHBondContact O-CB 3.33Å; Q19-F23 PolarHBondContact O-N 3.09Å; F20-F23 PolarHBondContact O-N 3.33Å; F23-H25 PolarHBondContact O-N 3.41Å
24I56.6Low66.9Low74 Ų7496.3 Ų96.338%0.37946%0.462SS..SBendtrans-82.566.4164.8-51.9179.4000108F20 I21 L26F20-I24 HydrophobicContact CD1-CD1 3.81Å; F20-I24 HydrophobicContact CD1-CG1 4.44Å; F20-I24 HydrophobicContact CE1-CD1 3.33Å; F20-I24 HydrophobicContact CE1-CG1 4.27Å; F20-I24 HydrophobicContact CZ-CD1 3.88Å; F20-I24 WeakPolarHBondContact O-CB 3.18Å; F20-I24 WeakPolarHBondContact O-CG1 3.48Å; F20-I24 PolarHBondContact O-N 3.4Å; I21-I24 CarbonylContact O-C 3.57Å; I24-L26 HydrophobicContact CB-CD1 4.48Å; I24-L26 HydrophobicContact CG2-CB 4.48Å; I24-L26 HydrophobicContact CG2-CD1 3.3Å; I24-L26 HydrophobicContact CG2-CG 3.7Å; I24-L26 PolarHBondContact O-N 3.17Å
25H53.4Low67.4Low75 Ų7591.8 Ų91.835%0.34744%0.442SS..  trans-64.656.4178.9-156.8-61.4000112.4H22 F23 T27 K28H22-H25 WeakPolarHBondContact O-CB 3.48Å; H22-H25 PolarHBondContact O-N 3.37Å; F23-H25 PolarHBondContact O-N 3.41Å; H25-T27 PolarHBondContact CE1-OG1 3.45Å; H25-T27 VanDerWaalsContact CE1-OG1 3.23Å; H25-T27 PolarHBondContact ND1-OG1 3.15Å; H25-T27 PolarHBondContact O-N 3.18Å; H25-T27 VanDerWaalsContact O-N 3.11Å; H25-K28 WeakPolarHBondContact ND1-CG 2.99Å; H25-K28 WeakPolarHBondContact O-CB 3.14Å; H25-K28 PolarHBondContact O-N 2.83Å
26L55.2Low68.1Low47 Ų4791.7 Ų91.725%0.24644%0.438CS..G310 helixtrans-56-25.9-180-99.5154000111.5I24 K28 W29 L32 C33 L36I24-L26 HydrophobicContact CB-CD1 4.48Å; I24-L26 HydrophobicContact CG2-CB 4.48Å; I24-L26 HydrophobicContact CG2-CD1 3.3Å; I24-L26 HydrophobicContact CG2-CG 3.7Å; I24-L26 PolarHBondContact O-N 3.17Å; L26-K28 PolarHBondContact O-N 2.97Å; L26-K28 VanDerWaalsContact O-N 3.1Å; L26-W29 CarbonylContact O-C 3.53Å; L26-W29 PolarHBondContact O-N 3.05Å; L26-L32 HydrophobicContact CD2-CB 4.28Å; L26-L32 HydrophobicContact CD2-CD2 4Å; L26-L32 HydrophobicContact CD2-CG 3.99Å; L26-C33 VanDerWaalsContact C-SG 3.52Å; L26-C33 VanDerWaalsContact CB-SG 3.59Å; L26-C33 HydrophobicContact CD2-CB 4.4Å; L26-C33 VanDerWaalsContact CD2-SG 3.52Å; L26-C33 PolarHBondContact O-SG 3.48Å; L26-L36 HydrophobicContact CD1-CD1 3.88Å; L26-L36 HydrophobicContact CD2-CD1 3.53Å; L26-L36 HydrophobicContact CG-CD1 4.32Å
27T53.8Low68.6Low117 Ų11787.8 Ų87.872%0.71842%0.423SS*.G310 helixtrans-60.6-15.1170.740.20000115.1H25H25-T27 PolarHBondContact CE1-OG1 3.45Å; H25-T27 VanDerWaalsContact CE1-OG1 3.23Å; H25-T27 PolarHBondContact ND1-OG1 3.15Å; H25-T27 PolarHBondContact O-N 3.18Å; H25-T27 VanDerWaalsContact O-N 3.11Å
28K59.7Low69.5Low150 Ų15085 Ų8565%0.65241%0.409SS*.G310 helixtrans-78.4-20.4171.5-93.5177.4-179-174.50113.2H25 L26H25-K28 WeakPolarHBondContact ND1-CG 2.99Å; H25-K28 WeakPolarHBondContact O-CB 3.14Å; H25-K28 PolarHBondContact O-N 2.83Å; L26-K28 PolarHBondContact O-N 2.97Å; L26-K28 VanDerWaalsContact O-N 3.1Å
29W65.8Low70.7Confident173 Ų17381.9 Ų81.966%0.65540%0.396SS*.  trans-132.379.5-174.5-60.797000109.2L26 F31 L32 C33L26-W29 CarbonylContact O-C 3.53Å; L26-W29 PolarHBondContact O-N 3.05Å; W29-F31 PolarHBondContact O-N 3.18Å; W29-L32 HydrophobicContact CB-CB 3.77Å; W29-L32 WeakPolarHBondContact O-CB 3.41Å; W29-L32 PolarHBondContact O-N 3.5Å; W29-C33 PolarHBondContact O-N 3.44Å
30P70.2Confident71.8Confident69 Ų6979.7 Ų79.745%0.44839%0.387SS..Hα-helixtrans-55.1-38.6-179.521.5-32.7000111.5L32 C33 D34P30-L32 VanDerWaalsContact C-N 3.31Å; P30-L32 PolarHBondContact O-N 3.42Å; P30-C33 WeakPolarHBondContact O-CA 3.3Å; P30-C33 VanDerWaalsContact O-CB 3.29Å; P30-C33 WeakPolarHBondContact O-CB 3.39Å; P30-C33 PolarHBondContact O-N 2.81Å; P30-D34 PolarHBondContact O-N 2.82Å
31F77.5Confident73Confident71 Ų7174.4 Ų74.431%0.31136%0.364SS..Hα-helixtrans-56.5-40.1173.8173.3-112.6000114.1W29 C33 C35 Y153 P156 Y157W29-F31 PolarHBondContact O-N 3.18Å; F31-C33 VanDerWaalsContact C-N 3.32Å; F31-C35 WeakPolarHBondContact CE2-SG 3.5Å; F31-C35 WeakPolarHBondContact CZ-SG 3.49Å; F31-C35 VanDerWaalsContact O-CB 3.24Å; F31-C35 WeakPolarHBondContact O-CB 3.45Å; F31-C35 PolarHBondContact O-N 3.34Å; F31-C35 PolarHBondContact O-SG 3.48Å; F31-Y153 AromaticContact CD2-CD1 3.52Å; F31-Y153 HydrophobicContact CD2-CD1 3.52Å; F31-Y153 AromaticContact CD2-CE1 3.49Å; F31-Y153 HydrophobicContact CD2-CE1 3.49Å; F31-Y153 VanDerWaalsContact CD2-CE1 3.49Å; F31-Y153 AromaticContact CE2-CD1 3.34Å; F31-Y153 HydrophobicContact CE2-CD1 3.34Å; F31-Y153 AromaticContact CE2-CE1 3.8Å; F31-Y153 HydrophobicContact CE2-CE1 3.8Å; F31-Y153 HydrophobicContact CE2-CG 4.46Å; F31-Y153 HydrophobicContact CG-CE1 4.31Å; F31-Y153 HydrophobicContact CZ-CD1 4.31Å; F31-P156 HydrophobicContact CE2-CB 4.35Å; F31-P156 HydrophobicContact CZ-CB 3.59Å; F31-P156 HydrophobicContact CZ-CG 3.85Å; F31-Y157 HydrophobicContact CD2-CE2 4.48Å; F31-Y157 HydrophobicContact CE2-CD2 4.41Å; F31-Y157 AromaticContact CE2-CE2 3.98Å; F31-Y157 HydrophobicContact CE2-CE2 3.98Å
32L77.8Confident74.5Confident82 Ų8269.5 Ų69.543%0.42934%0.339SS..Hα-helixtrans-70.5-32.9178-173.867.2000111L26 W29 P30 C35 L36L26-L32 HydrophobicContact CD2-CB 4.28Å; L26-L32 HydrophobicContact CD2-CD2 4Å; L26-L32 HydrophobicContact CD2-CG 3.99Å; W29-L32 HydrophobicContact CB-CB 3.77Å; W29-L32 WeakPolarHBondContact O-CB 3.41Å; W29-L32 PolarHBondContact O-N 3.5Å; P30-L32 VanDerWaalsContact C-N 3.31Å; P30-L32 PolarHBondContact O-N 3.42Å; L32-C35 WeakPolarHBondContact O-CB 3.37Å; L32-L36 WeakPolarHBondContact O-CB 3.16Å; L32-L36 VanDerWaalsContact O-CG 3.31Å; L32-L36 WeakPolarHBondContact O-CG 3.32Å; L32-L36 PolarHBondContact O-N 3.37Å
33C80.1Confident76.2Confident32 Ų3263.5 Ų63.522%0.21631%0.312CS..Hα-helixtrans-62.9-50.7173.8-59.70000110.9L26 W29 P30 F31 C35 L36 N37L26-C33 VanDerWaalsContact C-SG 3.52Å; L26-C33 VanDerWaalsContact CB-SG 3.59Å; L26-C33 HydrophobicContact CD2-CB 4.4Å; L26-C33 VanDerWaalsContact CD2-SG 3.52Å; L26-C33 PolarHBondContact O-SG 3.48Å; W29-C33 PolarHBondContact O-N 3.44Å; P30-C33 WeakPolarHBondContact O-CA 3.3Å; P30-C33 VanDerWaalsContact O-CB 3.29Å; P30-C33 WeakPolarHBondContact O-CB 3.39Å; P30-C33 PolarHBondContact O-N 2.81Å; F31-C33 VanDerWaalsContact C-N 3.32Å; C33-C35 VanDerWaalsContact C-N 3.27Å; C33-C35 PolarHBondContact O-N 3.05Å; C33-L36 PolarHBondContact O-N 2.95Å; C33-L36 VanDerWaalsContact O-N 3.1Å; C33-N37 VanDerWaalsContact O-CG 3.26Å; C33-N37 PolarHBondContact O-N 3.22Å; C33-N37 PolarHBondContact O-ND2 3.17Å
34D80.4Confident77.9Confident10 Ų1057 Ų575%0.05329%0.285CS..Hα-helixtrans-59.8-43.2179.1-57.8-25.6000110.9P30 L36 N37 E38 H128 S132 Y157P30-D34 PolarHBondContact O-N 2.82Å; D34-L36 PolarHBondContact O-N 3.48Å; D34-N37 WeakPolarHBondContact O-CB 3.49Å; D34-N37 PolarHBondContact O-N 3.36Å; D34-E38 WeakPolarHBondContact O-CG 3.43Å; D34-E38 PolarHBondContact O-N 2.87Å; D34-H128 IonicContact OD2-CE1 3.8Å; D34-H128 IonicContact OD2-CG 3.73Å; D34-H128 IonicContact OD2-ND1 2.83Å; D34-H128 PolarHBondContact OD2-ND1 2.91Å; D34-S132 WeakPolarHBondContact CA-OG 3.31Å; D34-S132 WeakPolarHBondContact CB-OG 3.46Å; D34-S132 PolarHBondContact OD1-OG 3.1Å; D34-Y157 HydrophobicContact CB-CE2 4.32Å; D34-Y157 WeakPolarHBondContact CB-OH 3.42Å
35C84.6Confident79.6Confident3 Ų354.9 Ų54.92%0.0227%0.273CS..Hα-helixtrans-56.3-45.4173.4-83.80000113.3F31 L32 C33 E38 F39 L160F31-C35 WeakPolarHBondContact CE2-SG 3.5Å; F31-C35 WeakPolarHBondContact CZ-SG 3.49Å; F31-C35 VanDerWaalsContact O-CB 3.24Å; F31-C35 WeakPolarHBondContact O-CB 3.45Å; F31-C35 PolarHBondContact O-N 3.34Å; F31-C35 PolarHBondContact O-SG 3.48Å; L32-C35 WeakPolarHBondContact O-CB 3.37Å; C33-C35 VanDerWaalsContact C-N 3.27Å; C33-C35 PolarHBondContact O-N 3.05Å; C35-E38 PolarHBondContact O-N 3.17Å; C35-F39 PolarHBondContact O-N 3.13Å; C35-L160 HydrophobicContact CB-CD1 3.23Å
36L85.3Confident81.7Confident62 Ų6252.4 Ų52.433%0.32526%0.262SS..Hα-helixtrans-69.3-35.6176.5-74.3179.4000112L26 L32 C33 D34 F39 I40L26-L36 HydrophobicContact CD1-CD1 3.88Å; L26-L36 HydrophobicContact CD2-CD1 3.53Å; L26-L36 HydrophobicContact CG-CD1 4.32Å; L32-L36 WeakPolarHBondContact O-CB 3.16Å; L32-L36 VanDerWaalsContact O-CG 3.31Å; L32-L36 WeakPolarHBondContact O-CG 3.32Å; L32-L36 PolarHBondContact O-N 3.37Å; C33-L36 PolarHBondContact O-N 2.95Å; C33-L36 VanDerWaalsContact O-N 3.1Å; D34-L36 PolarHBondContact O-N 3.48Å; L36-F39 WeakPolarHBondContact O-CB 3.31Å; L36-F39 PolarHBondContact O-N 3.21Å; L36-I40 WeakPolarHBondContact O-CB 3.46Å; L36-I40 VanDerWaalsContact O-CG1 3.28Å; L36-I40 WeakPolarHBondContact O-CG1 3.32Å; L36-I40 PolarHBondContact O-N 3.14Å
37N86.8Confident83.6Confident46 Ų4652 Ų5225%0.24626%0.259CS..Hα-helixtrans-64.4-41.5175.3-71.5-17.8000111.3C33 D34 G41 S93C33-N37 VanDerWaalsContact O-CG 3.26Å; C33-N37 PolarHBondContact O-N 3.22Å; C33-N37 PolarHBondContact O-ND2 3.17Å; D34-N37 WeakPolarHBondContact O-CB 3.49Å; D34-N37 PolarHBondContact O-N 3.36Å; N37-G41 PolarHBondContact O-N 3.44Å; N37-S93 WeakPolarHBondContact CB-O 3.4Å; N37-S93 PolarHBondContact ND2-O 3.19Å; N37-S93 WeakPolarHBondContact O-CB 3.36Å; N37-S93 PolarHBondContact O-OG 2.97Å
38E88.7Confident85.5Confident0 Ų051.2 Ų51.20%025%0.247CC..Hα-helixtrans-61.6-44.1172.9-73.6-64.4148.200111.4D34 C35 T42 G133 L134 L135 Y157 Q161D34-E38 WeakPolarHBondContact O-CG 3.43Å; D34-E38 PolarHBondContact O-N 2.87Å; C35-E38 PolarHBondContact O-N 3.17Å; E38-T42 VanDerWaalsContact O-CB 3.24Å; E38-T42 WeakPolarHBondContact O-CB 3.4Å; E38-T42 PolarHBondContact O-N 3.24Å; E38-T42 PolarHBondContact O-OG1 3.23Å; E38-G133 WeakPolarHBondContact OE1-CA 3.22Å; E38-G133 PolarHBondContact OE1-N 3.31Å; E38-L134 PolarHBondContact OE1-N 2.91Å; E38-L135 WeakPolarHBondContact OE2-CA 3.37Å; E38-L135 PolarHBondContact OE2-N 3.26Å; E38-Y157 HydrophobicContact CG-CD1 3.92Å; E38-Y157 HydrophobicContact CG-CE1 4Å; E38-Y157 HydrophobicContact CG-CG 4.24Å; E38-Q161 HydrophobicContact CB-CG 4.31Å; E38-Q161 PolarHBondContact OE2-NE2 3.03Å
39F91.8Very high87.1Confident51 Ų5144.1 Ų44.122%0.22422%0.215CC..Hα-helixtrans-61-55.1177173.4-99.3000112C35 L36 T42 T43 L160 F163 L167C35-F39 PolarHBondContact O-N 3.13Å; L36-F39 WeakPolarHBondContact O-CB 3.31Å; L36-F39 PolarHBondContact O-N 3.21Å; F39-T42 PolarHBondContact O-N 3.12Å; F39-T43 PolarHBondContact O-N 3.48Å; F39-T43 PolarHBondContact O-OG1 3.01Å; F39-T43 VanDerWaalsContact O-OG1 3.14Å; F39-L160 HydrophobicContact CB-CB 4.39Å; F39-L160 WeakPolarHBondContact CD2-O 3.37Å; F39-F163 HydrophobicContact CD2-CB 4.14Å; F39-F163 HydrophobicContact CE2-CB 3.91Å; F39-L167 HydrophobicContact CE1-CD2 4.1Å; F39-L167 HydrophobicContact CE2-CD2 4.46Å; F39-L167 HydrophobicContact CZ-CB 4.5Å; F39-L167 HydrophobicContact CZ-CD2 3.54Å
40I91.7Very high88.5Confident76 Ų7636 Ų3639%0.3919%0.185SC..Hα-helixtrans-63.2-46.6-177.2-67.1169.3000110.7L36 T42 T43 I44 I92L36-I40 WeakPolarHBondContact O-CB 3.46Å; L36-I40 VanDerWaalsContact O-CG1 3.28Å; L36-I40 WeakPolarHBondContact O-CG1 3.32Å; L36-I40 PolarHBondContact O-N 3.14Å; I40-T42 VanDerWaalsContact C-N 3.29Å; I40-T42 PolarHBondContact O-N 3.41Å; I40-T43 PolarHBondContact O-N 3.46Å; I40-I44 HydrophobicContact CG2-CD1 3.96Å; I40-I44 WeakPolarHBondContact O-CG1 3.26Å; I40-I44 PolarHBondContact O-N 3.48Å; I40-I44 VanDerWaalsContact O-N 3.08Å; I40-I92 HydrophobicContact CG2-CG2 3.97Å
41G92Very high89.6Confident0 Ų033 Ų330%017%0.166CC..Hα-helixtrans-61.2-39.4178.800000111.9N37 I44 F45 L135N37-G41 PolarHBondContact O-N 3.44Å; G41-I44 PolarHBondContact O-N 3.41Å; G41-F45 VanDerWaalsContact O-CB 3.25Å; G41-F45 WeakPolarHBondContact O-CB 3.46Å; G41-F45 PolarHBondContact O-N 3.18Å; G41-L135 VanDerWaalsContact C-CD2 3.49Å
42T94Very high90.2Very high6 Ų631.1 Ų31.14%0.03716%0.161CC..Hα-helixtrans-70.5-40.2179.4-55.70000111E38 F39 I40 I44 I46 Q161E38-T42 VanDerWaalsContact O-CB 3.24Å; E38-T42 WeakPolarHBondContact O-CB 3.4Å; E38-T42 PolarHBondContact O-N 3.24Å; E38-T42 PolarHBondContact O-OG1 3.23Å; F39-T42 PolarHBondContact O-N 3.12Å; I40-T42 VanDerWaalsContact C-N 3.29Å; I40-T42 PolarHBondContact O-N 3.41Å; T42-I44 PolarHBondContact O-N 3.04Å; T42-I46 HydrophobicContact CG2-CG1 4.29Å; T42-I46 WeakPolarHBondContact O-CB 3.25Å; T42-I46 VanDerWaalsContact O-CG1 3.23Å; T42-I46 WeakPolarHBondContact O-CG1 3.09Å; T42-I46 PolarHBondContact O-N 3.22Å; T42-Q161 HydrophobicContact CG2-CB 4.46Å; T42-Q161 VanDerWaalsContact CG2-O 3.28Å; T42-Q161 WeakPolarHBondContact CG2-O 3.45Å
43T95.3Very high90.8Very high12 Ų1228 Ų287%0.07414%0.144CC..Hα-helixtrans-57.1-48.4174.4-650000111.7F39 I40 I46 I47 G164 L167 I171F39-T43 PolarHBondContact O-N 3.48Å; F39-T43 PolarHBondContact O-OG1 3.01Å; F39-T43 VanDerWaalsContact O-OG1 3.14Å; I40-T43 PolarHBondContact O-N 3.46Å; T43-I46 PolarHBondContact O-N 3.06Å; T43-I47 HydrophobicContact CG2-CD1 3.89Å; T43-I47 VanDerWaalsContact O-CG1 3.27Å; T43-I47 WeakPolarHBondContact O-CG1 3.48Å; T43-I47 PolarHBondContact O-N 3.26Å; T43-G164 VanDerWaalsContact CA-O 3.28Å; T43-G164 WeakPolarHBondContact CA-O 3.27Å; T43-G164 VanDerWaalsContact OG1-CA 3.22Å; T43-G164 WeakPolarHBondContact OG1-CA 2.9Å; T43-G164 PolarHBondContact OG1-O 2.78Å; T43-L167 HydrophobicContact CG2-CD2 4.26Å; T43-L167 HydrophobicContact CG2-CG 4.31Å; T43-I171 HydrophobicContact CG2-CD1 4.29Å
44I94.4Very high91.2Very high40 Ų4026.7 Ų26.721%0.20514%0.135CC..Hα-helixtrans-70-44-177.2-64.6173.2000111.3I40 G41 T42 I46 I47 F48 I88 I92I40-I44 HydrophobicContact CG2-CD1 3.96Å; I40-I44 WeakPolarHBondContact O-CG1 3.26Å; I40-I44 PolarHBondContact O-N 3.48Å; I40-I44 VanDerWaalsContact O-N 3.08Å; G41-I44 PolarHBondContact O-N 3.41Å; T42-I44 PolarHBondContact O-N 3.04Å; I44-I46 VanDerWaalsContact C-N 3.27Å; I44-I46 PolarHBondContact O-N 2.95Å; I44-I47 PolarHBondContact O-N 3.45Å; I44-F48 HydrophobicContact CG2-CD2 3.7Å; I44-F48 HydrophobicContact CG2-CE2 3.68Å; I44-F48 WeakPolarHBondContact O-CD2 3.34Å; I44-F48 PolarHBondContact O-N 3.23Å; I44-F48 VanDerWaalsContact O-N 3.11Å; I44-I88 HydrophobicContact CG2-CG2 4Å; I44-I92 HydrophobicContact CB-CD1 4.45Å; I44-I92 HydrophobicContact CD1-CD1 3.42Å; I44-I92 VanDerWaalsContact CD1-CD1 3.42Å; I44-I92 HydrophobicContact CD1-CG2 3.99Å; I44-I92 HydrophobicContact CG1-CD1 4.5Å; I44-I92 HydrophobicContact CG2-CD1 3.93Å
45F94.2Very high91.6Very high31 Ų3131.4 Ų31.414%0.13616%0.157CC..Hα-helixtrans-51.3-48.1173.5162.7-128.6000111.6G41 F48 G49 W82 A85 K86G41-F45 VanDerWaalsContact O-CB 3.25Å; G41-F45 WeakPolarHBondContact O-CB 3.46Å; G41-F45 PolarHBondContact O-N 3.18Å; F45-F48 PolarHBondContact O-N 3.45Å; F45-G49 PolarHBondContact O-N 3.34Å; F45-W82 HydrophobicContact CE1-CZ3 4.27Å; F45-W82 AromaticContact CE2-CE3 3.56Å; F45-W82 HydrophobicContact CE2-CE3 3.56Å; F45-W82 AromaticContact CE2-CZ3 3.82Å; F45-W82 HydrophobicContact CE2-CZ3 3.82Å; F45-W82 AromaticContact CZ-CE3 3.61Å; F45-W82 HydrophobicContact CZ-CE3 3.61Å; F45-W82 AromaticContact CZ-CZ3 3.56Å; F45-W82 HydrophobicContact CZ-CZ3 3.56Å; F45-A85 HydrophobicContact CD2-CB 3.97Å; F45-A85 HydrophobicContact CE2-CB 4.38Å; F45-K86 HydrophobicContact CD2-CB 3.95Å; F45-K86 HydrophobicContact CD2-CG 4.48Å; F45-K86 HydrophobicContact CE2-CB 3.76Å; F45-K86 HydrophobicContact CE2-CG 4.29Å
46I95.5Very high91.6Very high22 Ų2232 Ų3211%0.11316%0.16CC..Hα-helixtrans-68.4-39.3-179-68.4-69000112.2T42 T43 I44 F48 G49 L50 W82T42-I46 HydrophobicContact CG2-CG1 4.29Å; T42-I46 WeakPolarHBondContact O-CB 3.25Å; T42-I46 VanDerWaalsContact O-CG1 3.23Å; T42-I46 WeakPolarHBondContact O-CG1 3.09Å; T42-I46 PolarHBondContact O-N 3.22Å; T43-I46 PolarHBondContact O-N 3.06Å; I44-I46 VanDerWaalsContact C-N 3.27Å; I44-I46 PolarHBondContact O-N 2.95Å; I46-F48 PolarHBondContact O-N 3.17Å; I46-G49 PolarHBondContact O-N 3.49Å; I46-L50 HydrophobicContact CG2-CD1 3.64Å; I46-L50 HydrophobicContact CG2-CG 4.09Å; I46-L50 WeakPolarHBondContact O-CB 3.45Å; I46-L50 WeakPolarHBondContact O-CG 3.33Å; I46-L50 PolarHBondContact O-N 3.42Å; I46-W82 HydrophobicContact CD1-CH2 4.47Å; I46-W82 HydrophobicContact CD1-CZ3 4.38Å
47I95.5Very high91.5Very high38 Ų3830.5 Ų30.520%0.19515%0.153CC..Hα-helixtrans-57.9-48.4176-71.4165.3000110.6T43 I44 G51 I171 I172T43-I47 HydrophobicContact CG2-CD1 3.89Å; T43-I47 VanDerWaalsContact O-CG1 3.27Å; T43-I47 WeakPolarHBondContact O-CG1 3.48Å; T43-I47 PolarHBondContact O-N 3.26Å; I44-I47 PolarHBondContact O-N 3.45Å; I47-G51 PolarHBondContact O-N 3.27Å; I47-I171 HydrophobicContact CD1-CB 4.23Å; I47-I171 HydrophobicContact CD1-CD1 4.04Å; I47-I171 HydrophobicContact CD1-CG2 3.93Å; I47-I171 HydrophobicContact CG1-CB 4.36Å; I47-I171 HydrophobicContact CG1-CG2 4.24Å; I47-I172 HydrophobicContact CG2-CD1 4.2Å; I47-I172 WeakPolarHBondContact O-CD1 3.39Å
48F94.6Very high91.1Very high102 Ų10230 Ų3045%0.44715%0.149SC..Hα-helixtrans-71.4-43.9179.6-78.4-75.2000112.5I44 F45 I46 G51 V52 A85 I88I44-F48 HydrophobicContact CG2-CD2 3.7Å; I44-F48 HydrophobicContact CG2-CE2 3.68Å; I44-F48 WeakPolarHBondContact O-CD2 3.34Å; I44-F48 PolarHBondContact O-N 3.23Å; I44-F48 VanDerWaalsContact O-N 3.11Å; F45-F48 PolarHBondContact O-N 3.45Å; I46-F48 PolarHBondContact O-N 3.17Å; F48-G51 PolarHBondContact O-N 3.28Å; F48-V52 WeakPolarHBondContact O-CG2 3.13Å; F48-V52 PolarHBondContact O-N 3.45Å; F48-A85 HydrophobicContact CB-CB 3.53Å; F48-I88 HydrophobicContact CD2-CG2 4.34Å; F48-I88 HydrophobicContact CE2-CG2 4.14Å
49G93.7Very high90.4Very high0 Ų033.7 Ų33.70%017%0.169CC..Hα-helixtrans-59.6-49.4179.800000112.6F45 I46 V52 M53 W82F45-G49 PolarHBondContact O-N 3.34Å; I46-G49 PolarHBondContact O-N 3.49Å; G49-V52 PolarHBondContact O-N 3.11Å; G49-M53 PolarHBondContact O-N 3.21Å; G49-W82 PolarHBondContact O-NE1 3.44Å
50L93.8Very high89.3Confident4 Ų433.5 Ų33.52%0.02117%0.169CC..Hα-helixtrans-69.4-33.5175.9-65.4-178000112.3I46 V52 M53 I54 W82 T169 I172 L201I46-L50 HydrophobicContact CG2-CD1 3.64Å; I46-L50 HydrophobicContact CG2-CG 4.09Å; I46-L50 WeakPolarHBondContact O-CB 3.45Å; I46-L50 WeakPolarHBondContact O-CG 3.33Å; I46-L50 PolarHBondContact O-N 3.42Å; L50-V52 PolarHBondContact O-N 3.43Å; L50-M53 HydrophobicContact CD2-SD 4.5Å; L50-M53 WeakPolarHBondContact O-CB 3.41Å; L50-M53 PolarHBondContact O-N 2.79Å; L50-I54 WeakPolarHBondContact O-CG1 3.33Å; L50-I54 PolarHBondContact O-N 3.37Å; L50-W82 HydrophobicContact CD2-CH2 4.17Å; L50-W82 HydrophobicContact CD2-CZ2 4.04Å; L50-T169 HydrophobicContact CD1-CG2 4.06Å; L50-I172 HydrophobicContact CB-CB 4.49Å; L50-I172 HydrophobicContact CB-CG1 4.18Å; L50-I172 HydrophobicContact CB-CG2 3.92Å; L50-I172 HydrophobicContact CD1-CG2 3.72Å; L50-I172 HydrophobicContact CG-CG2 4.49Å; L50-L201 HydrophobicContact CD1-CD2 4.28Å
51G93Very high88Confident5 Ų531 Ų315%0.05216%0.157CC..Hα-helixtrans-58-45.5175.200000112.8I47 F48 M53 I54 Q55I47-G51 PolarHBondContact O-N 3.27Å; F48-G51 PolarHBondContact O-N 3.28Å; G51-M53 VanDerWaalsContact C-N 3.32Å; G51-M53 PolarHBondContact O-N 3.34Å; G51-I54 PolarHBondContact O-N 3.46Å; G51-Q55 WeakPolarHBondContact O-CB 3.23Å; G51-Q55 VanDerWaalsContact O-CG 3.3Å; G51-Q55 WeakPolarHBondContact O-CG 3.42Å; G51-Q55 PolarHBondContact O-N 2.71Å
52V91.7Very high86.7Confident32 Ų3235.1 Ų35.119%0.19418%0.179CC..Hα-helixtrans-63.2-40.1175.7174.60000111.2F48 G49 L50 Q55 T56F48-V52 WeakPolarHBondContact O-CG2 3.13Å; F48-V52 PolarHBondContact O-N 3.45Å; G49-V52 PolarHBondContact O-N 3.11Å; L50-V52 PolarHBondContact O-N 3.43Å; V52-Q55 PolarHBondContact O-N 3.4Å; V52-T56 WeakPolarHBondContact O-CB 3.4Å; V52-T56 PolarHBondContact O-N 3.47Å; V52-T56 PolarHBondContact O-OG1 2.88Å
53M89.3Confident85.2Confident15 Ų1536.6 Ų36.67%0.07419%0.186CC..Hα-helixtrans-62.9-47.8178.3-171.9179.9-77.200111.7G49 L50 G51 N57 W82G49-M53 PolarHBondContact O-N 3.21Å; L50-M53 HydrophobicContact CD2-SD 4.5Å; L50-M53 WeakPolarHBondContact O-CB 3.41Å; L50-M53 PolarHBondContact O-N 2.79Å; G51-M53 VanDerWaalsContact C-N 3.32Å; G51-M53 PolarHBondContact O-N 3.34Å; M53-N57 PolarHBondContact O-N 3.23Å; M53-N57 VanDerWaalsContact O-N 3.15Å; M53-N57 PolarHBondContact O-ND2 3.43Å; M53-W82 HydrophobicContact CE-CZ2 4.01Å
54I89Confident83.4Confident5 Ų541.1 Ų41.13%0.02621%0.21CC..Hα-helixtrans-64-45178.3-64.9166.7000110.7L50 G51 N57 M58 I172 Y176 I180 L200L50-I54 WeakPolarHBondContact O-CG1 3.33Å; L50-I54 PolarHBondContact O-N 3.37Å; G51-I54 PolarHBondContact O-N 3.46Å; I54-N57 PolarHBondContact O-N 3.26Å; I54-M58 WeakPolarHBondContact O-CB 3.36Å; I54-M58 PolarHBondContact O-N 3.32Å; I54-I172 HydrophobicContact CD1-CG1 3.85Å; I54-I172 HydrophobicContact CD1-CG2 4.4Å; I54-Y176 HydrophobicContact CB-CD1 4.28Å; I54-Y176 HydrophobicContact CD1-CD2 4.32Å; I54-Y176 HydrophobicContact CD1-CG 4.08Å; I54-Y176 HydrophobicContact CG2-CD1 3.46Å; I54-Y176 VanDerWaalsContact CG2-CD1 3.46Å; I54-Y176 HydrophobicContact CG2-CE1 4.13Å; I54-Y176 HydrophobicContact CG2-CG 3.91Å; I54-I180 HydrophobicContact CD1-CD1 4.43Å; I54-L200 HydrophobicContact CG1-CB 4.31Å
55Q88.4Confident81.8Confident110 Ų11045.4 Ų45.451%0.51423%0.234SC..Hα-helixtrans-64.5-41.9-179.9-73.5178.828.800112.7G51 V52 M58 N59 Y176G51-Q55 WeakPolarHBondContact O-CB 3.23Å; G51-Q55 VanDerWaalsContact O-CG 3.3Å; G51-Q55 WeakPolarHBondContact O-CG 3.42Å; G51-Q55 PolarHBondContact O-N 2.71Å; V52-Q55 PolarHBondContact O-N 3.4Å; Q55-M58 PolarHBondContact O-N 2.87Å; Q55-N59 PolarHBondContact O-N 3.24Å; Q55-Y176 HydrophobicContact CG-CE1 4.09Å; Q55-Y176 PolarHBondContact NE2-OH 3.32Å
56T85.4Confident80.2Confident15 Ų1548.9 Ų48.99%0.09225%0.254CS..Hα-helixtrans-66.7-41.4-179.2-53.80000111.1V52 M58 N59 Q74 I78V52-T56 WeakPolarHBondContact O-CB 3.4Å; V52-T56 PolarHBondContact O-N 3.47Å; V52-T56 PolarHBondContact O-OG1 2.88Å; T56-M58 VanDerWaalsContact C-N 3.34Å; T56-N59 WeakPolarHBondContact O-CB 3.39Å; T56-N59 PolarHBondContact O-N 3.35Å; T56-Q74 HydrophobicContact CG2-CB 3.77Å; T56-Q74 HydrophobicContact CG2-CG 3.94Å; T56-I78 HydrophobicContact CG2-CD1 3.8Å; T56-I78 HydrophobicContact CG2-CG1 3.84Å
57N81.9Confident78.5Confident31 Ų3155.5 Ų55.517%0.16629%0.289CS..Hα-helixtrans-69.2-31.6174.9-77.5-79.8000112.5M53 I54 N59 I60 Y183 L200M53-N57 PolarHBondContact O-N 3.23Å; M53-N57 VanDerWaalsContact O-N 3.15Å; M53-N57 PolarHBondContact O-ND2 3.43Å; I54-N57 PolarHBondContact O-N 3.26Å; N57-N59 VanDerWaalsContact C-N 3.31Å; N57-I60 WeakPolarHBondContact O-CB 3.49Å; N57-I60 PolarHBondContact O-N 3.28Å; N57-Y183 HydrophobicContact CB-CE2 4.05Å; N57-L200 HydrophobicContact CB-CD2 3.45Å; N57-L200 VanDerWaalsContact CB-CD2 3.45Å
58M79.3Confident76.7Confident35 Ų3559.4 Ų59.417%0.17231%0.31CS..Hα-helixtrans-68.4-31.7173.1-166.369.3-159.300111.9I54 Q55 T56 I60 I61 M182I54-M58 WeakPolarHBondContact O-CB 3.36Å; I54-M58 PolarHBondContact O-N 3.32Å; Q55-M58 PolarHBondContact O-N 2.87Å; T56-M58 VanDerWaalsContact C-N 3.34Å; M58-I60 VanDerWaalsContact C-N 3.26Å; M58-I60 PolarHBondContact O-N 3.47Å; M58-I61 HydrophobicContact CE-CB 4.33Å; M58-I61 HydrophobicContact CE-CD1 3.79Å; M58-I61 HydrophobicContact CE-CG2 4.15Å; M58-I61 VanDerWaalsContact O-CB 3.25Å; M58-I61 WeakPolarHBondContact O-CB 3.2Å; M58-I61 PolarHBondContact O-N 2.95Å; M58-I61 VanDerWaalsContact O-N 3.08Å; M58-I61 HydrophobicContact SD-CD1 3.39Å; M58-I61 WeakPolarHBondContact SD-CD1 3.29Å; M58-M182 HydrophobicContact CE-CB 4.21Å; M58-M182 HydrophobicContact CE-CE 3.86Å; M58-M182 HydrophobicContact CE-SD 4.37Å
59N74.9Confident74.7Confident77 Ų7760.2 Ų60.241%0.41232%0.319SS..Hα-helixtrans-65.7-29.9176.9-166.845.9000112.8Q55 T56 N57 I61 N62 N63Q55-N59 PolarHBondContact O-N 3.24Å; T56-N59 WeakPolarHBondContact O-CB 3.39Å; T56-N59 PolarHBondContact O-N 3.35Å; N57-N59 VanDerWaalsContact C-N 3.31Å; N59-I61 PolarHBondContact O-N 3.24Å; N59-N62 PolarHBondContact O-N 3Å; N59-N62 VanDerWaalsContact O-N 3.14Å; N59-N63 PolarHBondContact O-N 3.03Å
60I67.4Low72.8Confident47 Ų4766.1 Ų66.124%0.24135%0.351CS..Hα-helixtrans-56.3-35.9172.5-62.7168.2000110.7N57 M58 N62 N64N57-I60 WeakPolarHBondContact O-CB 3.49Å; N57-I60 PolarHBondContact O-N 3.28Å; M58-I60 VanDerWaalsContact C-N 3.26Å; M58-I60 PolarHBondContact O-N 3.47Å; I60-N62 VanDerWaalsContact C-N 3.34Å; I60-N62 PolarHBondContact O-N 3.34Å; I60-N64 PolarHBondContact O-N 3Å; I60-N64 PolarHBondContact O-ND2 3.38Å
61I65.4Low71Confident23 Ų2368.9 Ų68.912%0.11837%0.366CS..Hα-helixtrans-65.5-39.3-179.5-65.8168.8000111.5M58 N59 Y183 L186M58-I61 HydrophobicContact CE-CB 4.33Å; M58-I61 HydrophobicContact CE-CD1 3.79Å; M58-I61 HydrophobicContact CE-CG2 4.15Å; M58-I61 VanDerWaalsContact O-CB 3.25Å; M58-I61 WeakPolarHBondContact O-CB 3.2Å; M58-I61 PolarHBondContact O-N 2.95Å; M58-I61 VanDerWaalsContact O-N 3.08Å; M58-I61 HydrophobicContact SD-CD1 3.39Å; M58-I61 WeakPolarHBondContact SD-CD1 3.29Å; N59-I61 PolarHBondContact O-N 3.24Å; I61-Y183 HydrophobicContact CD1-CD2 3.74Å; I61-Y183 HydrophobicContact CD1-CG 4.43Å; I61-L186 HydrophobicContact CB-CD1 3.93Å; I61-L186 HydrophobicContact CD1-CD1 3.49Å; I61-L186 VanDerWaalsContact CD1-CD1 3.49Å; I61-L186 HydrophobicContact CG1-CD1 3.49Å; I61-L186 VanDerWaalsContact CG1-CD1 3.49Å; I61-L186 HydrophobicContact CG2-CD1 3.24Å
62N64Low69.1Low88 Ų8875.6 Ų75.647%0.47140%0.4SS..Hα-helixtrans-71.7-40.7-178-67.2-21000111.2N59 I60 N64 N65N59-N62 PolarHBondContact O-N 3Å; N59-N62 VanDerWaalsContact O-N 3.14Å; I60-N62 VanDerWaalsContact C-N 3.34Å; I60-N62 PolarHBondContact O-N 3.34Å; N62-N64 VanDerWaalsContact C-N 3.33Å; N62-N64 PolarHBondContact O-N 3.26Å; N62-N65 PolarHBondContact O-N 3.23Å
63N62Low67.4Low36 Ų3676 Ų7619%0.19341%0.412CS..Hα-helixtrans-68.8-28.3-179.4-76.9-8.4000113.3N59 N65 D66N59-N63 PolarHBondContact O-N 3.03Å; N63-N65 PolarHBondContact O-N 3.32Å; N63-N65 VanDerWaalsContact O-N 3.11Å; N63-D66 CarbonylContact O-C 3.3Å; N63-D66 PolarHBondContact O-N 3.49Å
64N59.1Low66.8Low107 Ų10776.9 Ų76.957%0.57242%0.416SS*.THydrogen-bonded Turntrans-66.4-13.2178.1-73-23.6000113.8I60 N62I60-N64 PolarHBondContact O-N 3Å; I60-N64 PolarHBondContact O-ND2 3.38Å; N62-N64 VanDerWaalsContact C-N 3.33Å; N62-N64 PolarHBondContact O-N 3.26Å
65N59.3Low66.4Low131 Ų13185.9 Ų85.970%0.70145%0.451SS*.THydrogen-bonded Turntrans-89.3-16.3173.2-65.8-43.4000113.1N62 N63N62-N65 PolarHBondContact O-N 3.23Å; N63-N65 PolarHBondContact O-N 3.32Å; N63-N65 VanDerWaalsContact O-N 3.11Å
66D62Low66.2Low104 Ų10485.5 Ų85.556%0.55645%0.451SS*.SBendtrans-108.8120.6179.1-71.1-27.5000108.5N63 N68N63-D66 CarbonylContact O-C 3.3Å; N63-D66 PolarHBondContact O-N 3.49Å; D66-N68 PolarHBondContact O-N 3.43Å
67N57.9Low66.3Low160 Ų16087.6 Ų87.686%0.85647%0.466SS*.SBendtrans-62.313.6-179.6-66.2-44.5000115
68N58.4Low66.6Low120 Ų12087.8 Ų87.864%0.64247%0.467SS*.  trans-100.188.1175.6-70.7-23000109.5D66 N70D66-N68 PolarHBondContact O-N 3.43Å; N68-N70 PolarHBondContact O-N 3.4Å
69N53.6Low67.2Low119 Ų11990 Ų9064%0.63649%0.486SS*.  trans-67.752.5178.8-73-25.5000114.1N71N69-N71 VanDerWaalsContact C-N 3.31Å; N69-N71 PolarHBondContact O-N 3.24Å; N69-N71 VanDerWaalsContact O-N 3.14Å
70N54Low68Low124 Ų12492 Ų9266%0.66349%0.494SS*.  trans-90.368.4177.1-66.6-8.2000109.9N68 N72N68-N70 PolarHBondContact O-N 3.4Å; N70-N72 PolarHBondContact O-N 3.27Å
71N55Low69.2Low63 Ų6390.4 Ų90.434%0.33749%0.489SS..  trans-83.121.3-177.7-73-22.4000113.9N69 G73N69-N71 VanDerWaalsContact C-N 3.31Å; N69-N71 PolarHBondContact O-N 3.24Å; N69-N71 VanDerWaalsContact O-N 3.14Å; N71-G73 PolarHBondContact O-N 2.72Å
72N52.1Low70.5Confident145 Ų14592.4 Ų92.478%0.77550%0.495SS*.THydrogen-bonded Turntrans-92.67.1-153.4-53.74.7000114.3N70N70-N72 PolarHBondContact O-N 3.27Å
73G58Low71.8Confident42 Ų4289.8 Ų89.843%0.43349%0.489SS..THydrogen-bonded Turntrans-120.26.6-173.200000116.4N71 S77N71-G73 PolarHBondContact O-N 2.72Å; G73-S77 WeakPolarHBondContact O-CB 3.3Å
74Q76Confident73.3Confident33 Ų3392.8 Ų92.815%0.15450%0.504CS..Hα-helixtrans-77.7-47.3-164.4-65.6177.8-3.100113.3T56 S77 I78T56-Q74 HydrophobicContact CG2-CB 3.77Å; T56-Q74 HydrophobicContact CG2-CG 3.94Å; Q74-S77 PolarHBondContact O-N 2.95Å; Q74-I78 VanDerWaalsContact O-CG1 3.31Å; Q74-I78 WeakPolarHBondContact O-CG1 3.39Å; Q74-I78 PolarHBondContact O-N 3.13Å; Q74-I78 VanDerWaalsContact O-N 3.1Å
75Y80Confident75Confident194 Ų19487.8 Ų87.876%0.76148%0.478SS*.Hα-helixtrans-66.2-45.1-175.5-63.4-74.9000112.7S77 I78 S79Y75-S77 VanDerWaalsContact C-N 3.3Å; Y75-S77 PolarHBondContact O-N 3.43Å; Y75-I78 PolarHBondContact O-N 3.41Å; Y75-S79 PolarHBondContact O-N 2.92Å; Y75-S79 PolarHBondContact O-OG 2.97Å
76I84.8Confident76.6Confident102 Ų10283.8 Ų83.852%0.52345%0.454SS..Hα-helixtrans-63.1-38.5-179.8-167.660.3000111.7S79 M80I76-S79 PolarHBondContact O-N 2.93Å; I76-M80 HydrophobicContact CD1-CE 3.91Å; I76-M80 HydrophobicContact CD1-CG 4.29Å; I76-M80 HydrophobicContact CG1-CE 3.86Å; I76-M80 HydrophobicContact CG1-CG 4.34Å; I76-M80 HydrophobicContact CG1-SD 4.14Å; I76-M80 VanDerWaalsContact O-CB 3.3Å; I76-M80 WeakPolarHBondContact O-CB 3.08Å; I76-M80 VanDerWaalsContact O-CG 3.29Å; I76-M80 WeakPolarHBondContact O-CG 3.43Å; I76-M80 PolarHBondContact O-N 2.74Å
77S86.3Confident78Confident58 Ų5883.6 Ų83.641%0.40645%0.452SS..Hα-helixtrans-62.2-46.3175.4-178.90000111.5G73 Q74 Y75 G81G73-S77 WeakPolarHBondContact O-CB 3.3Å; Q74-S77 PolarHBondContact O-N 2.95Å; Y75-S77 VanDerWaalsContact C-N 3.3Å; Y75-S77 PolarHBondContact O-N 3.43Å; S77-G81 PolarHBondContact O-N 3.26Å
78I89.2Confident79.6Confident36 Ų3678.5 Ų78.519%0.18542%0.424CS..Hα-helixtrans-61.5-51.2177.7-65.9164.4000110.1T56 Q74 Y75 M80 G81 W82T56-I78 HydrophobicContact CG2-CD1 3.8Å; T56-I78 HydrophobicContact CG2-CG1 3.84Å; Q74-I78 VanDerWaalsContact O-CG1 3.31Å; Q74-I78 WeakPolarHBondContact O-CG1 3.39Å; Q74-I78 PolarHBondContact O-N 3.13Å; Q74-I78 VanDerWaalsContact O-N 3.1Å; Y75-I78 PolarHBondContact O-N 3.41Å; I78-M80 PolarHBondContact O-N 3.36Å; I78-G81 PolarHBondContact O-N 3.41Å; I78-W82 VanDerWaalsContact O-CD1 3.27Å; I78-W82 PolarHBondContact O-N 2.99Å
79S91.3Very high81.1Confident81 Ų8172.8 Ų72.857%0.56639%0.394SS*.Hα-helixtrans-61.7-45.8-178.8-60.80000112.6Y75 I76 G81 G83Y75-S79 PolarHBondContact O-N 2.92Å; Y75-S79 PolarHBondContact O-OG 2.97Å; I76-S79 PolarHBondContact O-N 2.93Å; S79-G81 VanDerWaalsContact C-N 3.35Å; S79-G83 PolarHBondContact O-N 3.47Å; S79-G83 VanDerWaalsContact O-N 3.08Å
80M91.5Very high82.8Confident119 Ų11970.5 Ų70.559%0.58638%0.381SS*.Hα-helixtrans-63.6-41.6175.8-74.1-174.917200111.5I76 I78 G83 I84I76-M80 HydrophobicContact CD1-CE 3.91Å; I76-M80 HydrophobicContact CD1-CG 4.29Å; I76-M80 HydrophobicContact CG1-CE 3.86Å; I76-M80 HydrophobicContact CG1-CG 4.34Å; I76-M80 HydrophobicContact CG1-SD 4.14Å; I76-M80 VanDerWaalsContact O-CB 3.3Å; I76-M80 WeakPolarHBondContact O-CB 3.08Å; I76-M80 VanDerWaalsContact O-CG 3.29Å; I76-M80 WeakPolarHBondContact O-CG 3.43Å; I76-M80 PolarHBondContact O-N 2.74Å; I78-M80 PolarHBondContact O-N 3.36Å; M80-G83 PolarHBondContact O-N 2.87Å; M80-I84 WeakPolarHBondContact O-CG1 3.33Å; M80-I84 PolarHBondContact O-N 3.29Å
81G92.4Very high84.4Confident13 Ų1370.1 Ų70.113%0.13438%0.379CS..Hα-helixtrans-62-44.6178.700000113.1S77 I78 S79 G83 I84 A85S77-G81 PolarHBondContact O-N 3.26Å; I78-G81 PolarHBondContact O-N 3.41Å; S79-G81 VanDerWaalsContact C-N 3.35Å; G81-G83 VanDerWaalsContact C-N 3.34Å; G81-G83 PolarHBondContact O-N 3.29Å; G81-I84 PolarHBondContact O-N 2.68Å; G81-A85 VanDerWaalsContact O-CB 3.22Å; G81-A85 WeakPolarHBondContact O-CB 3.18Å; G81-A85 PolarHBondContact O-N 2.68Å
82W92.7Very high85.8Confident65 Ų6570.6 Ų70.625%0.24638%0.38CS..Hα-helixtrans-63.5-38.3173.1-84.295.9000112.3F45 I46 G49 L50 M53 I78 A85 K86F45-W82 HydrophobicContact CE1-CZ3 4.27Å; F45-W82 AromaticContact CE2-CE3 3.56Å; F45-W82 HydrophobicContact CE2-CE3 3.56Å; F45-W82 AromaticContact CE2-CZ3 3.82Å; F45-W82 HydrophobicContact CE2-CZ3 3.82Å; F45-W82 AromaticContact CZ-CE3 3.61Å; F45-W82 HydrophobicContact CZ-CE3 3.61Å; F45-W82 AromaticContact CZ-CZ3 3.56Å; F45-W82 HydrophobicContact CZ-CZ3 3.56Å; I46-W82 HydrophobicContact CD1-CH2 4.47Å; I46-W82 HydrophobicContact CD1-CZ3 4.38Å; G49-W82 PolarHBondContact O-NE1 3.44Å; L50-W82 HydrophobicContact CD2-CH2 4.17Å; L50-W82 HydrophobicContact CD2-CZ2 4.04Å; M53-W82 HydrophobicContact CE-CZ2 4.01Å; I78-W82 VanDerWaalsContact O-CD1 3.27Å; I78-W82 PolarHBondContact O-N 2.99Å; W82-A85 PolarHBondContact O-N 3.17Å; W82-K86 WeakPolarHBondContact O-CB 3.2Å; W82-K86 PolarHBondContact O-N 2.89Å
83G92.5Very high87.3Confident34 Ų3463.7 Ų63.735%0.35134%0.343SS..Hα-helixtrans-61.5-49.6174.700000112.7S79 M80 G81 K86 I87S79-G83 PolarHBondContact O-N 3.47Å; S79-G83 VanDerWaalsContact O-N 3.08Å; M80-G83 PolarHBondContact O-N 2.87Å; G81-G83 VanDerWaalsContact C-N 3.34Å; G81-G83 PolarHBondContact O-N 3.29Å; G83-K86 PolarHBondContact O-N 3.34Å; G83-I87 WeakPolarHBondContact O-CG1 3.49Å; G83-I87 PolarHBondContact O-N 3.34Å; G83-I87 VanDerWaalsContact O-N 3.08Å
84I93.3Very high88Confident98 Ų9864.2 Ų64.250%0.50334%0.338SS..Hα-helixtrans-63.8-44.1176.9-67166.9000110.8M80 G81 K86 I87 I88M80-I84 WeakPolarHBondContact O-CG1 3.33Å; M80-I84 PolarHBondContact O-N 3.29Å; G81-I84 PolarHBondContact O-N 2.68Å; I84-K86 PolarHBondContact O-N 2.79Å; I84-I87 WeakPolarHBondContact O-CB 3.29Å; I84-I87 PolarHBondContact O-N 3.19Å; I84-I87 VanDerWaalsContact O-N 3.1Å; I84-I88 HydrophobicContact CG2-CD1 3.87Å; I84-I88 HydrophobicContact CG2-CG1 4.36Å; I84-I88 WeakPolarHBondContact O-CG1 3.28Å; I84-I88 PolarHBondContact O-N 3.45Å
85A94.3Very high87Confident2 Ų265.3 Ų65.32%0.01736%0.359CS..Hα-helixtrans-56-42.7176.600000111.4F45 F48 G81 W82 I88 G89F45-A85 HydrophobicContact CD2-CB 3.97Å; F45-A85 HydrophobicContact CE2-CB 4.38Å; F48-A85 HydrophobicContact CB-CB 3.53Å; G81-A85 VanDerWaalsContact O-CB 3.22Å; G81-A85 WeakPolarHBondContact O-CB 3.18Å; G81-A85 PolarHBondContact O-N 2.68Å; W82-A85 PolarHBondContact O-N 3.17Å; A85-I88 PolarHBondContact O-N 3.34Å; A85-G89 PolarHBondContact O-N 3.12Å
86K92.6Very high85.2Confident47 Ų4760.4 Ų60.420%0.20437%0.366CS..Hα-helixtrans-65.6-41177.2-168-174171.4-158.30111.7F45 W82 G83 I84 G89 L90 Y224F45-K86 HydrophobicContact CD2-CB 3.95Å; F45-K86 HydrophobicContact CD2-CG 4.48Å; F45-K86 HydrophobicContact CE2-CB 3.76Å; F45-K86 HydrophobicContact CE2-CG 4.29Å; W82-K86 WeakPolarHBondContact O-CB 3.2Å; W82-K86 PolarHBondContact O-N 2.89Å; G83-K86 PolarHBondContact O-N 3.34Å; I84-K86 PolarHBondContact O-N 2.79Å; K86-G89 PolarHBondContact O-N 3.13Å; K86-L90 WeakPolarHBondContact O-CB 3.16Å; K86-L90 PolarHBondContact O-N 2.93Å; K86-Y224 WeakPolarHBondContact CE-OH 3.41Å; K86-Y224 VanDerWaalsContact NZ-CE2 3.27Å; K86-Y224 VanDerWaalsContact NZ-CZ 3.28Å; K86-Y224 PolarHBondContact NZ-OH 3.47Å
87I91.5Very high82.7Confident100 Ų10058.3 Ų58.351%0.51337%0.371SS..Hα-helixtrans-61.2-44.9175.3-67165.3000110.6G83 I84 L90 L91G83-I87 WeakPolarHBondContact O-CG1 3.49Å; G83-I87 PolarHBondContact O-N 3.34Å; G83-I87 VanDerWaalsContact O-N 3.08Å; I84-I87 WeakPolarHBondContact O-CB 3.29Å; I84-I87 PolarHBondContact O-N 3.19Å; I84-I87 VanDerWaalsContact O-N 3.1Å; I87-L90 WeakPolarHBondContact O-CB 3.4Å; I87-L90 PolarHBondContact O-N 2.95Å; I87-L91 HydrophobicContact CG2-CD1 3.97Å; I87-L91 HydrophobicContact CG2-CG 4.3Å; I87-L91 VanDerWaalsContact O-CG 3.27Å; I87-L91 WeakPolarHBondContact O-CG 3.36Å; I87-L91 PolarHBondContact O-N 3.44Å
88I91.9Very high79.8Confident53 Ų5359.5 Ų59.527%0.27239%0.392SS..Hα-helixtrans-61.4-47.6177.6-66.9168.5000110.7I44 F48 I84 A85 L90 L91 I92I44-I88 HydrophobicContact CG2-CG2 4Å; F48-I88 HydrophobicContact CD2-CG2 4.34Å; F48-I88 HydrophobicContact CE2-CG2 4.14Å; I84-I88 HydrophobicContact CG2-CD1 3.87Å; I84-I88 HydrophobicContact CG2-CG1 4.36Å; I84-I88 WeakPolarHBondContact O-CG1 3.28Å; I84-I88 PolarHBondContact O-N 3.45Å; A85-I88 PolarHBondContact O-N 3.34Å; I88-L90 VanDerWaalsContact C-N 3.28Å; I88-L90 PolarHBondContact O-N 2.91Å; I88-L91 PolarHBondContact O-N 3.43Å; I88-I92 HydrophobicContact CG2-CD1 3.97Å; I88-I92 WeakPolarHBondContact O-CG1 3.31Å; I88-I92 PolarHBondContact O-N 3.49Å
89G90.1Very high77Confident0 Ų060.5 Ų60.50%041%0.411CS..Hα-helixtrans-57.8-43.3176.300000112A85 K86 I92 S93A85-G89 PolarHBondContact O-N 3.12Å; K86-G89 PolarHBondContact O-N 3.13Å; G89-I92 PolarHBondContact O-N 2.85Å; G89-S93 WeakPolarHBondContact O-CB 3.38Å; G89-S93 PolarHBondContact O-N 2.88Å
90L89.1Confident74.2Confident72 Ų7261.6 Ų61.638%0.37741%0.414SS..Hα-helixtrans-61.2-51.6177.6177.266.4000111K86 I87 I88 I92 S93 T94 G133 L135K86-L90 WeakPolarHBondContact O-CB 3.16Å; K86-L90 PolarHBondContact O-N 2.93Å; I87-L90 WeakPolarHBondContact O-CB 3.4Å; I87-L90 PolarHBondContact O-N 2.95Å; I88-L90 VanDerWaalsContact C-N 3.28Å; I88-L90 PolarHBondContact O-N 2.91Å; L90-I92 PolarHBondContact O-N 3.32Å; L90-S93 PolarHBondContact O-N 3.09Å; L90-T94 HydrophobicContact CD1-CG2 3.76Å; L90-T94 HydrophobicContact CG-CG2 4.26Å; L90-T94 WeakPolarHBondContact O-CG2 3.47Å; L90-T94 PolarHBondContact O-N 3.09Å; L90-T94 PolarHBondContact O-OG1 3.1Å; L90-G133 WeakPolarHBondContact CD1-O 3.32Å; L90-L135 HydrophobicContact CB-CD1 4.31Å; L90-L135 VanDerWaalsContact N-CD1 3.32Å
91L87.3Confident71.4Confident116 Ų11659.1 Ų59.161%0.60741%0.409SS*.Hα-helixtrans-57.2-33.8-178.9-72.8172.3000113I87 I88 T94I87-L91 HydrophobicContact CG2-CD1 3.97Å; I87-L91 HydrophobicContact CG2-CG 4.3Å; I87-L91 VanDerWaalsContact O-CG 3.27Å; I87-L91 WeakPolarHBondContact O-CG 3.36Å; I87-L91 PolarHBondContact O-N 3.44Å; I88-L91 PolarHBondContact O-N 3.43Å; L91-T94 PolarHBondContact O-OG1 3.44Å
92I85.5Confident68.5Low72 Ų7261.1 Ų61.137%0.36942%0.424SS..Hα-helixtrans-79.3-37.4178.7-64.7171.3000111.2I40 I44 I88 G89 L90I40-I92 HydrophobicContact CG2-CG2 3.97Å; I44-I92 HydrophobicContact CB-CD1 4.45Å; I44-I92 HydrophobicContact CD1-CD1 3.42Å; I44-I92 VanDerWaalsContact CD1-CD1 3.42Å; I44-I92 HydrophobicContact CD1-CG2 3.99Å; I44-I92 HydrophobicContact CG1-CD1 4.5Å; I44-I92 HydrophobicContact CG2-CD1 3.93Å; I88-I92 HydrophobicContact CG2-CD1 3.97Å; I88-I92 WeakPolarHBondContact O-CG1 3.31Å; I88-I92 PolarHBondContact O-N 3.49Å; G89-I92 PolarHBondContact O-N 2.85Å; L90-I92 PolarHBondContact O-N 3.32Å
93S83.3Confident65.5Low1 Ų165.5 Ų65.51%0.00745%0.452CS..Hα-helixtrans-70.7-36.9178.8-162.80000112.1N37 G89 L90 G95 G133N37-S93 WeakPolarHBondContact CB-O 3.4Å; N37-S93 PolarHBondContact ND2-O 3.19Å; N37-S93 WeakPolarHBondContact O-CB 3.36Å; N37-S93 PolarHBondContact O-OG 2.97Å; G89-S93 WeakPolarHBondContact O-CB 3.38Å; G89-S93 PolarHBondContact O-N 2.88Å; L90-S93 PolarHBondContact O-N 3.09Å; S93-G95 VanDerWaalsContact C-N 3.28Å; S93-G95 PolarHBondContact O-N 3.06Å; S93-G133 VanDerWaalsContact OG-CA 3.31Å; S93-G133 WeakPolarHBondContact OG-CA 3.34Å; S93-G133 PolarHBondContact OG-N 3.43Å
94T73.1Confident62.7Low53 Ų5366.3 Ų66.333%0.32546%0.461SS..SBendtrans-79.976.9171.762.10000108.6L90 L91 G96L90-T94 HydrophobicContact CD1-CG2 3.76Å; L90-T94 HydrophobicContact CG-CG2 4.26Å; L90-T94 WeakPolarHBondContact O-CG2 3.47Å; L90-T94 PolarHBondContact O-N 3.09Å; L90-T94 PolarHBondContact O-OG1 3.1Å; L91-T94 PolarHBondContact O-OG1 3.44Å; T94-G96 PolarHBondContact O-N 3.41Å
95G53.9Low59.7Low56 Ų5668.6 Ų68.658%0.57748%0.48SS*.  trans-54.8107.5-171.600000113.6S93 G97S93-G95 VanDerWaalsContact C-N 3.28Å; S93-G95 PolarHBondContact O-N 3.06Å; G95-G97 PolarHBondContact O-N 3.4Å
96G42.1Very low56.8Low90 Ų9072 Ų7293%0.92852%0.515SS*.SBendtrans56.6-10.7155.200000120.2T94T94-G96 PolarHBondContact O-N 3.41Å
97G32Very low54Low59 Ų5977.1 Ų77.161%0.60855%0.545SS*.  trans-104.1104.3176.700000108.8G95G95-G97 PolarHBondContact O-N 3.4Å
98G26.5Very low51.3Low83 Ų8375.5 Ų75.586%0.85655%0.553SS**  trans-58.2158.2-176.900000114
99G29.8Very low48.7Very low57 Ų5778.9 Ų78.959%0.58858%0.576SS**  trans113.5104.1152.300000113.4S101G99-S101 PolarHBondContact O-N 2.97Å
100T31.7Very low46.1Very low103 Ų10387.1 Ų87.163%0.63262%0.62SS**SBend-43.778.9116520000109.5A102T100-A102 WeakPolarHBondContact O-CB 3.43Å; T100-A102 PolarHBondContact O-N 3.06Å
101S32.6Very low43.8Very low68 Ų6887.4 Ų87.448%0.47664%0.64SS.*SBendtrans38.841.8151.4-54.40000117G99 K234G99-S101 PolarHBondContact O-N 2.97Å; S101-K234 VanDerWaalsContact OG-CD 3.26Å; S101-K234 WeakPolarHBondContact OG-CD 3.27Å; S101-K234 WeakPolarHBondContact OG-CE 3.38Å; S101-K234 PolarHBondContact OG-NZ 3.49Å
102A33Very low41.3Very low55 Ų5590.4 Ų90.446%0.45566%0.657SS.*  trans-11120.8-177.700000112.4T100 I240T100-A102 WeakPolarHBondContact O-CB 3.43Å; T100-A102 PolarHBondContact O-N 3.06Å; A102-I240 HydrophobicContact CB-CD1 4.45Å
103D29.4Very low39.1Very low156 Ų15690.6 Ų90.683%0.83468%0.677SS**  trans-137.459.6169.4-138.4-1.1000110.9
104G33Very low36.7Very low52 Ų5294.1 Ų94.154%0.53671%0.713SS.*SBendtrans-103.3123.6144.900000106.7
105T30.7Very low34.8Very low145 Ų14596.8 Ų96.889%0.8973%0.734SS**  trans63.982.5161.650.10000117.1
106G34Very low33.7Very low74 Ų7499.4 Ų99.476%0.76374%0.743SS**  trans-118.749.3150.300000110.3
107D33.5Very low33.3Very low154 Ų15499 Ų9982%0.82474%0.739SS**  trans-77.7115.7165.7-173.315000107.5
108G34.3Very low33.1Very low67 Ų67100 Ų10069%0.69175%0.75SS**  trans-172.751.3-167.800000109.8
109T38.2Very low33.2Very low123 Ų123100.3 Ų100.376%0.75575%0.753SS**  trans-140.8107.7156.350.50000109.3
110D35.6Very low33.1Very low174 Ų174101.3 Ų101.393%0.9376%0.763SS**  trans-44.2135.1166.1-56.3-59.7000112
111G39.6Very low32.9Very low77 Ų77100.8 Ų100.879%0.79478%0.778SS**  trans-175.686178.900000111.7
112D35.9Very low32.7Very low179 Ų179100.2 Ų100.296%0.95778%0.783SS**  trans-41.4140.3168.7-76.8-47.2000113.9
113G38.3Very low32.8Very low77 Ų77106.8 Ų106.879%0.79480%0.804SS**  trans133.6104.5151.100000117.1
114G34.3Very low33Very low74 Ų74104.8 Ų104.876%0.76379%0.793SS**  81.5100.912600000119.7
115S32.6Very low32.9Very low110 Ų110110.1 Ų110.177%0.76981%0.81SS**  60121123.7-152.70000121.4
116S31.4Very low32.9Very low110 Ų110112 Ų11277%0.76980%0.8SS**  trans68.4120.2134.660.20000120.8
117G31.9Very low32.8Very low82 Ų82113.6 Ų113.685%0.84580%0.799SS**  119.9122.1129.500000117
118G29Very low33.3Very low80 Ų80109.1 Ų109.183%0.82577%0.773SS**  trans97.7100.313700000117.9
119G27.4Very low33.9Very low89 Ų89112.1 Ų112.192%0.91877%0.773SS**  39.7132.112700000121.3
120G28.8Very low34.7Very low79 Ų79111.2 Ų111.281%0.81476%0.764SS**  trans158.7125.2156.100000112.5
121G27.3Very low36Very low91 Ų91105.3 Ų105.394%0.93873%0.73SS**  trans-68.4152.4-171.400000114.9
122G29.5Very low37.2Very low57 Ų57102.7 Ų102.759%0.58870%0.7SS**  trans-166.156.2178.200000111.7N124G122-N124 PolarHBondContact O-N 3.35Å
123H33.2Very low39.1Very low192 Ų19294.7 Ų94.789%0.88966%0.66SS**  trans-71.881.6164.9-93.1-110.7000108.6
124N34.5Very low41.4Very low114 Ų11491.6 Ų91.661%0.6163%0.625SS**  trans-78.5117171-72.7-17.2000108.7G122 R126G122-N124 PolarHBondContact O-N 3.35Å; N124-R126 PolarHBondContact O-N 3.31Å
125N31Very low43.9Very low165 Ų16588.5 Ų88.588%0.88259%0.591SS**  trans-64.463.7172.5-65.7-33.1000112.2C127N125-C127 PolarHBondContact O-N 3.34Å
126R31Very low46.7Very low183 Ų18385 Ų8569%0.69156%0.564SS**  trans-95.773.4173.9-90.6-174.2-79178.1-5.5110N124N124-R126 PolarHBondContact O-N 3.31Å
127C31.9Very low49.6Very low109 Ų10982.3 Ų82.374%0.73654%0.543SS*.  trans-140.388.4170.4-58.60000107.3N125N125-C127 PolarHBondContact O-N 3.34Å
128H43.4Very low52.4Low60 Ų6080.5 Ų80.528%0.27852%0.518SS..SBendtrans170.57.1153.2-104.2-109.7000114D34 D130D34-H128 IonicContact OD2-CE1 3.8Å; D34-H128 IonicContact OD2-CG 3.73Å; D34-H128 IonicContact OD2-ND1 2.83Å; D34-H128 PolarHBondContact OD2-ND1 2.91Å; H128-D130 VanDerWaalsContact C-N 3.32Å; H128-D130 PolarHBondContact O-N 3.07Å
129D47.9Very low55.4Low130 Ų13077 Ų7770%0.69548%0.48SS*.THydrogen-bonded Turntrans-75.9-0.8-171.2-59.3-38.8000116.5
130D54.5Low58.3Low104 Ų10472.7 Ų72.756%0.55644%0.436SS*.THydrogen-bonded Turntrans-100.8-3.7-170.6-89.327.4000115.2H128 K234H128-D130 VanDerWaalsContact C-N 3.32Å; H128-D130 PolarHBondContact O-N 3.07Å; D130-K234 IonicContact OD2-NZ 2.93Å; D130-K234 PolarHBondContact OD2-NZ 3.31Å
131H62.9Low61.3Low49 Ų4973.7 Ų73.723%0.22742%0.418CS..SBendtrans-131.91.3-168.4-53.1-36.4000116.8K148H131-K148 PolarHBondContact NE2-O 2.94Å; H131-K148 VanDerWaalsContact NE2-O 3.17Å
132S65.3Low64.2Low22 Ų2270 Ų7015%0.15438%0.379CS..  trans-74142.1170.4-77.90000110.6D34D34-S132 WeakPolarHBondContact CA-OG 3.31Å; D34-S132 WeakPolarHBondContact CB-OG 3.46Å; D34-S132 PolarHBondContact OD1-OG 3.1Å
133G76Confident66.9Low11 Ų1167.9 Ų67.911%0.11335%0.353CS..  trans100.827.3175.500000115.3E38 L90 S93E38-G133 WeakPolarHBondContact OE1-CA 3.22Å; E38-G133 PolarHBondContact OE1-N 3.31Å; L90-G133 WeakPolarHBondContact CD1-O 3.32Å; S93-G133 VanDerWaalsContact OG-CA 3.31Å; S93-G133 WeakPolarHBondContact OG-CA 3.34Å; S93-G133 PolarHBondContact OG-N 3.43Å
134L85.8Confident69.5Low12 Ų1259.2 Ų59.26%0.06331%0.314CS..  trans-73-38.6175.4-55.5176.7000111.3E38 N136 I139 T140 Y143 L149 Y157E38-L134 PolarHBondContact OE1-N 2.91Å; L134-N136 PolarHBondContact O-N 3.38Å; L134-I139 HydrophobicContact CB-CG2 4.32Å; L134-I139 HydrophobicContact CD2-CG2 3.91Å; L134-T140 HydrophobicContact CD1-CG2 4.16Å; L134-Y143 HydrophobicContact CD2-CD1 4.07Å; L134-Y143 HydrophobicContact CD2-CD2 4.26Å; L134-Y143 HydrophobicContact CD2-CE1 3.95Å; L134-Y143 HydrophobicContact CD2-CE2 4.16Å; L134-Y143 HydrophobicContact CD2-CG 4.22Å; L134-L149 HydrophobicContact CD1-CD2 4.28Å; L134-Y157 HydrophobicContact CD1-CD1 4.28Å; L134-Y157 HydrophobicContact CD1-CE1 4.3Å
135L87.8Confident72Confident9 Ų959.5 Ų59.55%0.04732%0.315CS..  trans53.916.9172.7-53.8177.6000114.8E38 G41 L90E38-L135 WeakPolarHBondContact OE2-CA 3.37Å; E38-L135 PolarHBondContact OE2-N 3.26Å; G41-L135 VanDerWaalsContact C-CD2 3.49Å; L90-L135 HydrophobicContact CB-CD1 4.31Å; L90-L135 VanDerWaalsContact N-CD1 3.32Å
136N90.7Very high74.6Confident37 Ų3756 Ų5620%0.19830%0.295CS..SBendtrans-158.3125.3-173-172.8-54.8000110L134 S138 I139 T140 Q161L134-N136 PolarHBondContact O-N 3.38Å; N136-S138 VanDerWaalsContact C-N 3.28Å; N136-S138 PolarHBondContact O-N 2.9Å; N136-S138 WeakPolarHBondContact OD1-CA 3.31Å; N136-S138 VanDerWaalsContact OD1-CB 3.23Å; N136-S138 WeakPolarHBondContact OD1-CB 3.41Å; N136-S138 PolarHBondContact OD1-N 3.18Å; N136-I139 HydrophobicContact CB-CB 4.24Å; N136-I139 HydrophobicContact CB-CD1 4.01Å; N136-I139 HydrophobicContact CB-CG1 3.98Å; N136-I139 PolarHBondContact O-N 3.39Å; N136-I139 PolarHBondContact OD1-N 3.41Å; N136-T140 PolarHBondContact O-N 3.02Å; N136-T140 PolarHBondContact O-OG1 3.17Å; N136-Q161 VanDerWaalsContact C-OE1 3.28Å
137P91.7Very high76.9Confident53 Ų5350.2 Ų50.234%0.34429%0.293SS..Hα-helixtrans-60-34.7178.6-27.235.3000113.8T140 F141 T158 Q161P137-T140 WeakPolarHBondContact O-CB 3.48Å; P137-T140 PolarHBondContact O-N 3.14Å; P137-F141 WeakPolarHBondContact O-CB 3.41Å; P137-F141 PolarHBondContact O-N 3.41Å; P137-T158 HydrophobicContact CB-CG2 3.83Å; P137-T158 HydrophobicContact CG-CG2 3.86Å; P137-Q161 VanDerWaalsContact CD-OE1 3.22Å
138S91.6Very high79.1Confident45 Ų4548.9 Ų48.932%0.31527%0.274SS..Hα-helixtrans-70.1-37.7179.5-52.60000112.3N136 F141 A142N136-S138 VanDerWaalsContact C-N 3.28Å; N136-S138 PolarHBondContact O-N 2.9Å; N136-S138 WeakPolarHBondContact OD1-CA 3.31Å; N136-S138 VanDerWaalsContact OD1-CB 3.23Å; N136-S138 WeakPolarHBondContact OD1-CB 3.41Å; N136-S138 PolarHBondContact OD1-N 3.18Å; S138-F141 PolarHBondContact O-N 3.33Å; S138-A142 PolarHBondContact O-N 3.1Å
139I90.6Very high80.9Confident5 Ų546.4 Ų46.43%0.02626%0.263CS..Hα-helixtrans-68.1-42.9172.2-60.4179.5000109.7L134 N136 F141 A142 Y143 Y224 I225 I228L134-I139 HydrophobicContact CB-CG2 4.32Å; L134-I139 HydrophobicContact CD2-CG2 3.91Å; N136-I139 HydrophobicContact CB-CB 4.24Å; N136-I139 HydrophobicContact CB-CD1 4.01Å; N136-I139 HydrophobicContact CB-CG1 3.98Å; N136-I139 PolarHBondContact O-N 3.39Å; N136-I139 PolarHBondContact OD1-N 3.41Å; I139-F141 VanDerWaalsContact C-N 3.26Å; I139-F141 PolarHBondContact O-N 3Å; I139-A142 PolarHBondContact O-N 3Å; I139-A142 VanDerWaalsContact O-N 3.12Å; I139-Y143 HydrophobicContact CG2-CD2 3.8Å; I139-Y143 HydrophobicContact CG2-CE2 3.7Å; I139-Y143 WeakPolarHBondContact O-CD2 3.14Å; I139-Y143 PolarHBondContact O-N 3.07Å; I139-Y224 HydrophobicContact CD1-CE1 3.72Å; I139-Y224 VanDerWaalsContact CD1-OH 3.28Å; I139-Y224 WeakPolarHBondContact CD1-OH 3.47Å; I139-Y224 HydrophobicContact CG1-CE1 3.88Å; I139-I225 HydrophobicContact CG1-CG1 4.43Å; I139-I228 HydrophobicContact CD1-CG2 4.42Å
140T89.8Confident82.7Confident0 Ų042.7 Ų42.70%025%0.248CC..Hα-helixtrans-55.4-45.5175.4-51.60000110.8L134 N136 P137 Y143 C144 L149 L154 Y157 Q161L134-T140 HydrophobicContact CD1-CG2 4.16Å; N136-T140 PolarHBondContact O-N 3.02Å; N136-T140 PolarHBondContact O-OG1 3.17Å; P137-T140 WeakPolarHBondContact O-CB 3.48Å; P137-T140 PolarHBondContact O-N 3.14Å; T140-Y143 PolarHBondContact O-N 3.22Å; T140-C144 PolarHBondContact O-N 3.42Å; T140-C144 PolarHBondContact O-SG 3.3Å; T140-L149 HydrophobicContact CG2-CD2 3.84Å; T140-L154 HydrophobicContact CG2-CD1 3.79Å; T140-Y157 HydrophobicContact CG2-CD1 3.95Å; T140-Y157 HydrophobicContact CG2-CG 4.38Å; T140-Q161 PolarHBondContact OG1-NE2 3.21Å
141F90.7Very high84.2Confident100 Ų10043 Ų4344%0.43925%0.248SC..Hα-helixtrans-63.8-43.8175.6-174.8-119.1000112.8P137 S138 I139 Y143 C144 L145 L154P137-F141 WeakPolarHBondContact O-CB 3.41Å; P137-F141 PolarHBondContact O-N 3.41Å; S138-F141 PolarHBondContact O-N 3.33Å; I139-F141 VanDerWaalsContact C-N 3.26Å; I139-F141 PolarHBondContact O-N 3Å; F141-Y143 VanDerWaalsContact C-N 3.33Å; F141-Y143 PolarHBondContact O-N 2.85Å; F141-C144 WeakPolarHBondContact O-CA 3.43Å; F141-C144 WeakPolarHBondContact O-CB 3.14Å; F141-C144 PolarHBondContact O-N 3.38Å; F141-C144 VanDerWaalsContact O-N 3.1Å; F141-L145 HydrophobicContact CD1-CD1 4.05Å; F141-L145 HydrophobicContact CE1-CD1 3.64Å; F141-L145 HydrophobicContact CE1-CG 4.16Å; F141-L145 HydrophobicContact CE2-CD2 4.37Å; F141-L145 HydrophobicContact CE2-CG 4.4Å; F141-L145 HydrophobicContact CZ-CD1 4.02Å; F141-L145 HydrophobicContact CZ-CD2 4.04Å; F141-L145 HydrophobicContact CZ-CG 4.11Å; F141-L145 PolarHBondContact O-N 2.9Å; F141-L154 HydrophobicContact CB-CD1 3.93Å; F141-L154 HydrophobicContact CD2-CD1 4.33Å; F141-L154 HydrophobicContact CD2-CD2 3.66Å; F141-L154 HydrophobicContact CE2-CD2 4.3Å
142A88.9Confident85.2Confident12 Ų1251.2 Ų51.210%0.09928%0.277CS..Hα-helixtrans-60.2-41.3176.700000112.3S138 I139 C144 L145 I146 I225S138-A142 PolarHBondContact O-N 3.1Å; I139-A142 PolarHBondContact O-N 3Å; I139-A142 VanDerWaalsContact O-N 3.12Å; A142-C144 VanDerWaalsContact C-N 3.29Å; A142-C144 PolarHBondContact O-N 3.47Å; A142-L145 PolarHBondContact O-N 2.94Å; A142-I146 WeakPolarHBondContact O-CG1 3.23Å; A142-I146 PolarHBondContact O-N 3.25Å; A142-I146 VanDerWaalsContact O-N 3.09Å; A142-I225 HydrophobicContact CB-CD1 4.5Å; A142-I225 HydrophobicContact CB-CG2 3.7Å
143Y86.1Confident86.1Confident14 Ų1453.1 Ų53.16%0.05528%0.282CS..Hα-helixtrans-65.1-34.4175.2-87.8-122.9000112L134 I139 T140 F141 G147 K148 L149 L229 T232L134-Y143 HydrophobicContact CD2-CD1 4.07Å; L134-Y143 HydrophobicContact CD2-CD2 4.26Å; L134-Y143 HydrophobicContact CD2-CE1 3.95Å; L134-Y143 HydrophobicContact CD2-CE2 4.16Å; L134-Y143 HydrophobicContact CD2-CG 4.22Å; I139-Y143 HydrophobicContact CG2-CD2 3.8Å; I139-Y143 HydrophobicContact CG2-CE2 3.7Å; I139-Y143 WeakPolarHBondContact O-CD2 3.14Å; I139-Y143 PolarHBondContact O-N 3.07Å; T140-Y143 PolarHBondContact O-N 3.22Å; F141-Y143 VanDerWaalsContact C-N 3.33Å; F141-Y143 PolarHBondContact O-N 2.85Å; Y143-G147 PolarHBondContact O-N 2.89Å; Y143-K148 HydrophobicContact CD1-CB 4.01Å; Y143-K148 HydrophobicContact CD1-CD 4.28Å; Y143-K148 HydrophobicContact CE1-CD 4.24Å; Y143-K148 PolarHBondContact O-N 3.08Å; Y143-L149 PolarHBondContact O-N 3.5Å; Y143-L149 VanDerWaalsContact O-N 3.13Å; Y143-L229 HydrophobicContact CD2-CD2 4.28Å; Y143-L229 HydrophobicContact CE2-CD2 3.91Å; Y143-T232 WeakPolarHBondContact OH-CG2 3.42Å
144C87.2Confident86.7Confident9 Ų954.1 Ų54.16%0.06128%0.284CS..Hα-helixtrans-66.2-38.5172.1-68.60000113.1T140 F141 A142 G147 L149 L151T140-C144 PolarHBondContact O-N 3.42Å; T140-C144 PolarHBondContact O-SG 3.3Å; F141-C144 WeakPolarHBondContact O-CA 3.43Å; F141-C144 WeakPolarHBondContact O-CB 3.14Å; F141-C144 PolarHBondContact O-N 3.38Å; F141-C144 VanDerWaalsContact O-N 3.1Å; A142-C144 VanDerWaalsContact C-N 3.29Å; A142-C144 PolarHBondContact O-N 3.47Å; C144-G147 PolarHBondContact O-N 3.21Å; C144-L149 VanDerWaalsContact CA-O 3.31Å; C144-L149 WeakPolarHBondContact CA-O 3.41Å; C144-L151 HydrophobicContact CB-CD2 3.5Å; C144-L151 HydrophobicContact CB-CG 4.06Å
145L88Confident86.9Confident121 Ų12159.1 Ų59.163%0.63431%0.31SS*.Hα-helixtrans-68.1-37.7178.3-71.3177.1000113F141 A142 G147F141-L145 HydrophobicContact CD1-CD1 4.05Å; F141-L145 HydrophobicContact CE1-CD1 3.64Å; F141-L145 HydrophobicContact CE1-CG 4.16Å; F141-L145 HydrophobicContact CE2-CD2 4.37Å; F141-L145 HydrophobicContact CE2-CG 4.4Å; F141-L145 HydrophobicContact CZ-CD1 4.02Å; F141-L145 HydrophobicContact CZ-CD2 4.04Å; F141-L145 HydrophobicContact CZ-CG 4.11Å; F141-L145 PolarHBondContact O-N 2.9Å; A142-L145 PolarHBondContact O-N 2.94Å; L145-G147 PolarHBondContact O-N 3.49Å
146I84.9Confident87Confident90 Ų9060.6 Ų60.646%0.46232%0.32SS..Hα-helixtrans-73.2-14.3177.8-63.2166.1000111.4A142 K148 L229A142-I146 WeakPolarHBondContact O-CG1 3.23Å; A142-I146 PolarHBondContact O-N 3.25Å; A142-I146 VanDerWaalsContact O-N 3.09Å; I146-K148 VanDerWaalsContact C-N 3.32Å; I146-K148 HydrophobicContact CG2-CD 4.43Å; I146-K148 HydrophobicContact CG2-CG 4.07Å; I146-L229 HydrophobicContact CD1-CD1 3.66Å; I146-L229 HydrophobicContact CD1-CD2 3.35Å; I146-L229 HydrophobicContact CD1-CG 4.11Å
147G80.2Confident86.9Confident63 Ų6358.9 Ų58.965%0.64931%0.311SS*.THydrogen-bonded Turntrans80.811-176.100000113.8Y143 C144 L145 L149Y143-G147 PolarHBondContact O-N 2.89Å; C144-G147 PolarHBondContact O-N 3.21Å; L145-G147 PolarHBondContact O-N 3.49Å; G147-L149 VanDerWaalsContact C-N 3.33Å
148K78Confident87Confident80 Ų8058.5 Ų58.535%0.34831%0.308SS..SBendtrans-71.3-30.2171.2-74.9-173.5177-179.80111.6H131 Y143 I146H131-K148 PolarHBondContact NE2-O 2.94Å; H131-K148 VanDerWaalsContact NE2-O 3.17Å; Y143-K148 HydrophobicContact CD1-CB 4.01Å; Y143-K148 HydrophobicContact CD1-CD 4.28Å; Y143-K148 HydrophobicContact CE1-CD 4.24Å; Y143-K148 PolarHBondContact O-N 3.08Å; I146-K148 VanDerWaalsContact C-N 3.32Å; I146-K148 HydrophobicContact CG2-CD 4.43Å; I146-K148 HydrophobicContact CG2-CG 4.07Å
149L80.1Confident87Confident8 Ų860.2 Ų60.24%0.04231%0.312CS..SBendtrans-124.7136.6177.6-172.766.1000110.1L134 T140 Y143 C144 G147 L151 Y153 Y157L134-L149 HydrophobicContact CD1-CD2 4.28Å; T140-L149 HydrophobicContact CG2-CD2 3.84Å; Y143-L149 PolarHBondContact O-N 3.5Å; Y143-L149 VanDerWaalsContact O-N 3.13Å; C144-L149 VanDerWaalsContact CA-O 3.31Å; C144-L149 WeakPolarHBondContact CA-O 3.41Å; G147-L149 VanDerWaalsContact C-N 3.33Å; L149-L151 PolarHBondContact O-N 2.86Å; L149-Y153 HydrophobicContact CD1-CD2 3.45Å; L149-Y153 VanDerWaalsContact CD1-CD2 3.45Å; L149-Y153 HydrophobicContact CD1-CE2 4.27Å; L149-Y153 HydrophobicContact CD1-CG 3.93Å; L149-Y153 HydrophobicContact CG-CD2 3.93Å; L149-Y153 HydrophobicContact CG-CG 4.35Å; L149-Y157 HydrophobicContact CD2-CD1 4.46Å; L149-Y157 HydrophobicContact CD2-CE1 4.38Å
150S85.6Confident87.1Confident53 Ų5362.1 Ų62.137%0.37132%0.322SS..  trans-66.8137.8173.8930000110.6R152 Y153S150-R152 PolarHBondContact O-N 3.44Å; S150-Y153 WeakPolarHBondContact O-CD2 2.99Å; S150-Y153 PolarHBondContact O-N 3.08Å; S150-Y153 WeakPolarHBondContact OG-CD2 3.34Å; S150-Y153 WeakPolarHBondContact OG-CE2 3.16Å
151L85.6Confident87.3Confident109 Ų10962.4 Ų62.457%0.57132%0.324SS*.G310 helixtrans-55.6-18.9179.7-82.5167.6000114.1C144 L149 Y153 L154C144-L151 HydrophobicContact CB-CD2 3.5Å; C144-L151 HydrophobicContact CB-CG 4.06Å; L149-L151 PolarHBondContact O-N 2.86Å; L151-Y153 PolarHBondContact O-N 3.3Å; L151-L154 HydrophobicContact CD2-CD2 4.39Å; L151-L154 WeakPolarHBondContact O-CB 3.41Å; L151-L154 PolarHBondContact O-N 3Å
152R85.7Confident87.5Confident222 Ų22262.4 Ų62.484%0.83833%0.328SS*.G310 helixtrans-66.7-22.7177.6-59.4178-178.6177.80.4112.8S150 P156S150-R152 PolarHBondContact O-N 3.44Å; R152-P156 WeakPolarHBondContact O-CD 3.43Å
153Y83.4Confident87.8Confident63 Ų6367.5 Ų67.525%0.24735%0.348CS..G310 helixtrans-85.9-17.9179.9-59.4-61.9000113.6F31 L149 S150 L151 I155 P156 Y157F31-Y153 AromaticContact CD2-CD1 3.52Å; F31-Y153 HydrophobicContact CD2-CD1 3.52Å; F31-Y153 AromaticContact CD2-CE1 3.49Å; F31-Y153 HydrophobicContact CD2-CE1 3.49Å; F31-Y153 VanDerWaalsContact CD2-CE1 3.49Å; F31-Y153 AromaticContact CE2-CD1 3.34Å; F31-Y153 HydrophobicContact CE2-CD1 3.34Å; F31-Y153 AromaticContact CE2-CE1 3.8Å; F31-Y153 HydrophobicContact CE2-CE1 3.8Å; F31-Y153 HydrophobicContact CE2-CG 4.46Å; F31-Y153 HydrophobicContact CG-CE1 4.31Å; F31-Y153 HydrophobicContact CZ-CD1 4.31Å; L149-Y153 HydrophobicContact CD1-CD2 3.45Å; L149-Y153 VanDerWaalsContact CD1-CD2 3.45Å; L149-Y153 HydrophobicContact CD1-CE2 4.27Å; L149-Y153 HydrophobicContact CD1-CG 3.93Å; L149-Y153 HydrophobicContact CG-CD2 3.93Å; L149-Y153 HydrophobicContact CG-CG 4.35Å; S150-Y153 WeakPolarHBondContact O-CD2 2.99Å; S150-Y153 PolarHBondContact O-N 3.08Å; S150-Y153 WeakPolarHBondContact OG-CD2 3.34Å; S150-Y153 WeakPolarHBondContact OG-CE2 3.16Å; L151-Y153 PolarHBondContact O-N 3.3Å; Y153-I155 PolarHBondContact O-N 3.49Å; Y153-P156 WeakPolarHBondContact O-CD 2.98Å; Y153-Y157 WeakPolarHBondContact O-CB 3.47Å; Y153-Y157 PolarHBondContact O-N 3.39Å; Y153-Y157 VanDerWaalsContact O-N 3.1Å
154L88.2Confident88.2Confident31 Ų3166.9 Ų66.916%0.16235%0.345CS..Hα-helixtrans-56.6-50.2-176.5178.263.3000112.7T140 F141 L151 T158T140-L154 HydrophobicContact CG2-CD1 3.79Å; F141-L154 HydrophobicContact CB-CD1 3.93Å; F141-L154 HydrophobicContact CD2-CD1 4.33Å; F141-L154 HydrophobicContact CD2-CD2 3.66Å; F141-L154 HydrophobicContact CE2-CD2 4.3Å; L151-L154 HydrophobicContact CD2-CD2 4.39Å; L151-L154 WeakPolarHBondContact O-CB 3.41Å; L151-L154 PolarHBondContact O-N 3Å; L154-T158 VanDerWaalsContact O-CB 3.3Å; L154-T158 WeakPolarHBondContact O-CB 3.37Å; L154-T158 PolarHBondContact O-N 2.99Å; L154-T158 PolarHBondContact O-OG1 2.93Å
155I90.8Very high88.6Confident118 Ų11867.8 Ų67.861%0.60535%0.352SS*.Hα-helixtrans-67.6-51.5-174.6-63.9170.3000110.8Y153 Y157 T158 I159Y153-I155 PolarHBondContact O-N 3.49Å; I155-Y157 PolarHBondContact O-N 2.95Å; I155-T158 PolarHBondContact O-N 3.18Å; I155-I159 HydrophobicContact CG2-CD1 3.66Å; I155-I159 HydrophobicContact CG2-CG1 4.41Å; I155-I159 VanDerWaalsContact O-CG1 3.3Å; I155-I159 WeakPolarHBondContact O-CG1 3.37Å; I155-I159 PolarHBondContact O-N 2.82Å
156P89.5Confident89Confident40 Ų4066.5 Ų66.526%0.2635%0.345SS..Hα-helixtrans-57.7-43176.7-26.634.8000114.1F31 R152 Y153 I159 L160F31-P156 HydrophobicContact CE2-CB 4.35Å; F31-P156 HydrophobicContact CZ-CB 3.59Å; F31-P156 HydrophobicContact CZ-CG 3.85Å; R152-P156 WeakPolarHBondContact O-CD 3.43Å; Y153-P156 WeakPolarHBondContact O-CD 2.98Å; P156-I159 PolarHBondContact O-N 2.89Å; P156-L160 WeakPolarHBondContact O-CG 3.48Å; P156-L160 PolarHBondContact O-N 2.76Å
157Y89.2Confident89.5Confident1 Ų165.5 Ų65.50%0.00434%0.34CS..Hα-helixtrans-64.6-46.4179-84-154.1000111.3F31 D34 E38 L134 T140 L149 Y153 I155 I159 L160 Q161F31-Y157 HydrophobicContact CD2-CE2 4.48Å; F31-Y157 HydrophobicContact CE2-CD2 4.41Å; F31-Y157 AromaticContact CE2-CE2 3.98Å; F31-Y157 HydrophobicContact CE2-CE2 3.98Å; D34-Y157 HydrophobicContact CB-CE2 4.32Å; D34-Y157 WeakPolarHBondContact CB-OH 3.42Å; E38-Y157 HydrophobicContact CG-CD1 3.92Å; E38-Y157 HydrophobicContact CG-CE1 4Å; E38-Y157 HydrophobicContact CG-CG 4.24Å; L134-Y157 HydrophobicContact CD1-CD1 4.28Å; L134-Y157 HydrophobicContact CD1-CE1 4.3Å; T140-Y157 HydrophobicContact CG2-CD1 3.95Å; T140-Y157 HydrophobicContact CG2-CG 4.38Å; L149-Y157 HydrophobicContact CD2-CD1 4.46Å; L149-Y157 HydrophobicContact CD2-CE1 4.38Å; Y153-Y157 WeakPolarHBondContact O-CB 3.47Å; Y153-Y157 PolarHBondContact O-N 3.39Å; Y153-Y157 VanDerWaalsContact O-N 3.1Å; I155-Y157 PolarHBondContact O-N 2.95Å; Y157-I159 VanDerWaalsContact C-N 3.31Å; Y157-I159 PolarHBondContact O-N 2.9Å; Y157-L160 PolarHBondContact O-N 2.85Å; Y157-Q161 WeakPolarHBondContact O-CB 3.25Å; Y157-Q161 WeakPolarHBondContact O-CG 3.5Å; Y157-Q161 PolarHBondContact O-N 3.49Å
158T92.1Very high90.3Very high45 Ų4562.5 Ų62.528%0.27631%0.309SS..Hα-helixtrans-59.9-42.2178.8-59.60000111.6P137 L154 I155 L162P137-T158 HydrophobicContact CB-CG2 3.83Å; P137-T158 HydrophobicContact CG-CG2 3.86Å; L154-T158 VanDerWaalsContact O-CB 3.3Å; L154-T158 WeakPolarHBondContact O-CB 3.37Å; L154-T158 PolarHBondContact O-N 2.99Å; L154-T158 PolarHBondContact O-OG1 2.93Å; I155-T158 PolarHBondContact O-N 3.18Å; T158-L162 WeakPolarHBondContact O-CB 3.29Å; T158-L162 PolarHBondContact O-N 3.43Å
159I93.5Very high91.1Very high80 Ų8060.4 Ų60.441%0.4130%0.303SS..Hα-helixtrans-64.1-44.6178.1-70.4170.3000110.7I155 P156 Y157 L162 F163I155-I159 HydrophobicContact CG2-CD1 3.66Å; I155-I159 HydrophobicContact CG2-CG1 4.41Å; I155-I159 VanDerWaalsContact O-CG1 3.3Å; I155-I159 WeakPolarHBondContact O-CG1 3.37Å; I155-I159 PolarHBondContact O-N 2.82Å; P156-I159 PolarHBondContact O-N 2.89Å; Y157-I159 VanDerWaalsContact C-N 3.31Å; Y157-I159 PolarHBondContact O-N 2.9Å; I159-L162 WeakPolarHBondContact O-CB 3.45Å; I159-L162 PolarHBondContact O-N 2.98Å; I159-F163 HydrophobicContact CG2-CD2 3.67Å; I159-F163 HydrophobicContact CG2-CE2 3.56Å; I159-F163 WeakPolarHBondContact O-CD2 3.48Å; I159-F163 PolarHBondContact O-N 2.75Å
160L92.3Very high91.9Very high46 Ų4667.4 Ų67.424%0.24133%0.33CS..Hα-helixtrans-72.4-36.3-179.8-72.1176.6000113.1C35 F39 P156 Y157 L162 F163 G164C35-L160 HydrophobicContact CB-CD1 3.23Å; F39-L160 HydrophobicContact CB-CB 4.39Å; F39-L160 WeakPolarHBondContact CD2-O 3.37Å; P156-L160 WeakPolarHBondContact O-CG 3.48Å; P156-L160 PolarHBondContact O-N 2.76Å; Y157-L160 PolarHBondContact O-N 2.85Å; L160-L162 VanDerWaalsContact C-N 3.29Å; L160-L162 PolarHBondContact O-N 2.83Å; L160-F163 PolarHBondContact O-N 2.79Å; L160-G164 PolarHBondContact O-N 3.36Å
161Q93.7Very high92.4Very high5 Ų567.4 Ų67.42%0.02333%0.325CS..Hα-helixtrans-59.7-42.2169.9-72.1162.9-4.600110.4E38 T42 N136 P137 T140 Y157 G164 S165E38-Q161 HydrophobicContact CB-CG 4.31Å; E38-Q161 PolarHBondContact OE2-NE2 3.03Å; T42-Q161 HydrophobicContact CG2-CB 4.46Å; T42-Q161 VanDerWaalsContact CG2-O 3.28Å; T42-Q161 WeakPolarHBondContact CG2-O 3.45Å; N136-Q161 VanDerWaalsContact C-OE1 3.28Å; P137-Q161 VanDerWaalsContact CD-OE1 3.22Å; T140-Q161 PolarHBondContact OG1-NE2 3.21Å; Y157-Q161 WeakPolarHBondContact O-CB 3.25Å; Y157-Q161 WeakPolarHBondContact O-CG 3.5Å; Y157-Q161 PolarHBondContact O-N 3.49Å; Q161-G164 PolarHBondContact O-N 3.27Å; Q161-S165 PolarHBondContact O-N 3.2Å
162L94.6Very high92.8Very high100 Ų10062.4 Ų62.452%0.52430%0.299SS..Hα-helixtrans-64.3-45.3175.5179.964.5000112.5T158 I159 L160 G164 S165 I166T158-L162 WeakPolarHBondContact O-CB 3.29Å; T158-L162 PolarHBondContact O-N 3.43Å; I159-L162 WeakPolarHBondContact O-CB 3.45Å; I159-L162 PolarHBondContact O-N 2.98Å; L160-L162 VanDerWaalsContact C-N 3.29Å; L160-L162 PolarHBondContact O-N 2.83Å; L162-G164 VanDerWaalsContact C-N 3.27Å; L162-G164 PolarHBondContact O-N 3.31Å; L162-S165 PolarHBondContact O-N 3.46Å; L162-S165 PolarHBondContact O-OG 2.85Å; L162-I166 HydrophobicContact CD1-CD1 4.25Å; L162-I166 HydrophobicContact CD1-CG1 4.5Å; L162-I166 HydrophobicContact CG-CD1 4.04Å; L162-I166 VanDerWaalsContact O-CG1 3.27Å; L162-I166 WeakPolarHBondContact O-CG1 3.41Å; L162-I166 PolarHBondContact O-N 3.3Å
163F95.4Very high93.2Very high120 Ų12053.9 Ų53.953%0.52627%0.27SS..Hα-helixtrans-63.1-37.8174.3-82.7-67.6000111.8F39 I159 L160 S165 I166 L167F39-F163 HydrophobicContact CD2-CB 4.14Å; F39-F163 HydrophobicContact CE2-CB 3.91Å; I159-F163 HydrophobicContact CG2-CD2 3.67Å; I159-F163 HydrophobicContact CG2-CE2 3.56Å; I159-F163 WeakPolarHBondContact O-CD2 3.48Å; I159-F163 PolarHBondContact O-N 2.75Å; L160-F163 PolarHBondContact O-N 2.79Å; F163-S165 VanDerWaalsContact C-N 3.34Å; F163-I166 PolarHBondContact O-N 3Å; F163-L167 WeakPolarHBondContact O-CB 3.24Å; F163-L167 PolarHBondContact O-N 2.93Å
164G95.1Very high93.8Very high0 Ų054.5 Ų54.50%028%0.28CS..Hα-helixtrans-61.5-42.8176.100000111.8T43 L160 Q161 L162 L167 G168T43-G164 VanDerWaalsContact CA-O 3.28Å; T43-G164 WeakPolarHBondContact CA-O 3.27Å; T43-G164 VanDerWaalsContact OG1-CA 3.22Å; T43-G164 WeakPolarHBondContact OG1-CA 2.9Å; T43-G164 PolarHBondContact OG1-O 2.78Å; L160-G164 PolarHBondContact O-N 3.36Å; Q161-G164 PolarHBondContact O-N 3.27Å; L162-G164 VanDerWaalsContact C-N 3.27Å; L162-G164 PolarHBondContact O-N 3.31Å; G164-L167 PolarHBondContact O-N 2.85Å; G164-G168 PolarHBondContact O-N 2.97Å
165S94.9Very high94.1Very high28 Ų2858.2 Ų58.220%0.19630%0.299CS..Hα-helixtrans-70.4-38.717871.50000113Q161 L162 F163 G168 T169Q161-S165 PolarHBondContact O-N 3.2Å; L162-S165 PolarHBondContact O-N 3.46Å; L162-S165 PolarHBondContact O-OG 2.85Å; F163-S165 VanDerWaalsContact C-N 3.34Å; S165-G168 PolarHBondContact O-N 3.38Å; S165-T169 WeakPolarHBondContact O-CB 3.4Å; S165-T169 PolarHBondContact O-N 3.04Å; S165-T169 PolarHBondContact O-OG1 3.46Å
166I96.2Very high94.2Very high94 Ų9454.5 Ų54.548%0.48228%0.278SS..Hα-helixtrans-61.5-47173.8-68.4165.8000110.3L162 F163 T169 Y170L162-I166 HydrophobicContact CD1-CD1 4.25Å; L162-I166 HydrophobicContact CD1-CG1 4.5Å; L162-I166 HydrophobicContact CG-CD1 4.04Å; L162-I166 VanDerWaalsContact O-CG1 3.27Å; L162-I166 WeakPolarHBondContact O-CG1 3.41Å; L162-I166 PolarHBondContact O-N 3.3Å; F163-I166 PolarHBondContact O-N 3Å; I166-T169 PolarHBondContact O-N 3.35Å; I166-Y170 PolarHBondContact O-N 3.3Å
167L96.5Very high94.3Very high69 Ų6958.8 Ų58.836%0.36129%0.289SS..Hα-helixtrans-63.1-45.1178.2-178.465000111.6F39 T43 F163 G164 T169 Y170 I171F39-L167 HydrophobicContact CE1-CD2 4.1Å; F39-L167 HydrophobicContact CE2-CD2 4.46Å; F39-L167 HydrophobicContact CZ-CB 4.5Å; F39-L167 HydrophobicContact CZ-CD2 3.54Å; T43-L167 HydrophobicContact CG2-CD2 4.26Å; T43-L167 HydrophobicContact CG2-CG 4.31Å; F163-L167 WeakPolarHBondContact O-CB 3.24Å; F163-L167 PolarHBondContact O-N 2.93Å; G164-L167 PolarHBondContact O-N 2.85Å; L167-T169 VanDerWaalsContact C-N 3.31Å; L167-T169 PolarHBondContact O-N 3.02Å; L167-Y170 PolarHBondContact O-N 3.32Å; L167-I171 HydrophobicContact CD1-CD1 4.27Å; L167-I171 HydrophobicContact CG-CD1 3.99Å; L167-I171 WeakPolarHBondContact O-CG1 3.42Å; L167-I171 PolarHBondContact O-N 3.28Å
168G95.9Very high94.4Very high0 Ų066.1 Ų66.10%032%0.323CS..Hα-helixtrans-60.8-40.7177.400000112.4G164 S165 I171 I172G164-G168 PolarHBondContact O-N 2.97Å; S165-G168 PolarHBondContact O-N 3.38Å; G168-I171 PolarHBondContact O-N 3.03Å; G168-I172 PolarHBondContact O-N 3.08Å
169T95.3Very high94.2Very high36 Ų3666.5 Ų66.522%0.22132%0.323CS..Hα-helixtrans-65.9-40.6175.8-54.20000111.7L50 S165 I166 L167 I171 I172 I173 L201L50-T169 HydrophobicContact CD1-CG2 4.06Å; S165-T169 WeakPolarHBondContact O-CB 3.4Å; S165-T169 PolarHBondContact O-N 3.04Å; S165-T169 PolarHBondContact O-OG1 3.46Å; I166-T169 PolarHBondContact O-N 3.35Å; L167-T169 VanDerWaalsContact C-N 3.31Å; L167-T169 PolarHBondContact O-N 3.02Å; T169-I171 PolarHBondContact O-N 2.85Å; T169-I172 WeakPolarHBondContact O-CG2 3.38Å; T169-I172 PolarHBondContact O-N 2.93Å; T169-I173 HydrophobicContact CG2-CD1 3.92Å; T169-I173 HydrophobicContact CG2-CG1 4.47Å; T169-I173 WeakPolarHBondContact O-CB 3.24Å; T169-I173 VanDerWaalsContact O-CG1 3.24Å; T169-I173 WeakPolarHBondContact O-CG1 3.2Å; T169-I173 PolarHBondContact O-N 2.9Å; T169-L201 HydrophobicContact CG2-CD2 4.38Å
170Y95.6Very high94Very high155 Ų15563.2 Ų63.261%0.60831%0.307SS*.Hα-helixtrans-63-42.3176179.6-100.3000112.3I166 L167 I173 T174I166-Y170 PolarHBondContact O-N 3.3Å; L167-Y170 PolarHBondContact O-N 3.32Å; Y170-I173 PolarHBondContact O-N 2.69Å; Y170-T174 HydrophobicContact CE1-CG2 4.31Å; Y170-T174 PolarHBondContact O-N 3.06Å; Y170-T174 VanDerWaalsContact O-N 3.09Å; Y170-T174 PolarHBondContact O-OG1 3.23Å
171I96.8Very high93.8Very high54 Ų5463.4 Ų63.428%0.27731%0.306SS..Hα-helixtrans-63.4-44.1176.8-68.1166.4000110.8T43 I47 L167 G168 T169 I173 T174 I175T43-I171 HydrophobicContact CG2-CD1 4.29Å; I47-I171 HydrophobicContact CD1-CB 4.23Å; I47-I171 HydrophobicContact CD1-CD1 4.04Å; I47-I171 HydrophobicContact CD1-CG2 3.93Å; I47-I171 HydrophobicContact CG1-CB 4.36Å; I47-I171 HydrophobicContact CG1-CG2 4.24Å; L167-I171 HydrophobicContact CD1-CD1 4.27Å; L167-I171 HydrophobicContact CG-CD1 3.99Å; L167-I171 WeakPolarHBondContact O-CG1 3.42Å; L167-I171 PolarHBondContact O-N 3.28Å; G168-I171 PolarHBondContact O-N 3.03Å; T169-I171 PolarHBondContact O-N 2.85Å; I171-I173 PolarHBondContact O-N 2.77Å; I171-T174 WeakPolarHBondContact CA-OG1 3.34Å; I171-T174 PolarHBondContact O-N 2.88Å; I171-T174 PolarHBondContact O-OG1 3.19Å; I171-I175 HydrophobicContact CG2-CD1 3.67Å; I171-I175 HydrophobicContact CG2-CG1 4.42Å; I171-I175 VanDerWaalsContact O-CG1 3.3Å; I171-I175 WeakPolarHBondContact O-CG1 3.3Å; I171-I175 PolarHBondContact O-N 2.78Å
172I94.6Very high93.4Very high4 Ų467.1 Ų67.12%0.02133%0.325CS..Hα-helixtrans-68-38.7-179.3-155.368.1000112I47 L50 I54 G168 T169 T174 I175 Y176 L201I47-I172 HydrophobicContact CG2-CD1 4.2Å; I47-I172 WeakPolarHBondContact O-CD1 3.39Å; L50-I172 HydrophobicContact CB-CB 4.49Å; L50-I172 HydrophobicContact CB-CG1 4.18Å; L50-I172 HydrophobicContact CB-CG2 3.92Å; L50-I172 HydrophobicContact CD1-CG2 3.72Å; L50-I172 HydrophobicContact CG-CG2 4.49Å; I54-I172 HydrophobicContact CD1-CG1 3.85Å; I54-I172 HydrophobicContact CD1-CG2 4.4Å; G168-I172 PolarHBondContact O-N 3.08Å; T169-I172 WeakPolarHBondContact O-CG2 3.38Å; T169-I172 PolarHBondContact O-N 2.93Å; I172-T174 VanDerWaalsContact C-N 3.3Å; I172-T174 PolarHBondContact O-N 3.1Å; I172-I175 PolarHBondContact O-N 2.94Å; I172-Y176 HydrophobicContact CD1-CD2 3.58Å; I172-Y176 HydrophobicContact CD1-CE2 3.48Å; I172-Y176 VanDerWaalsContact CD1-CE2 3.48Å; I172-Y176 HydrophobicContact CG1-CD2 3.82Å; I172-Y176 HydrophobicContact CG1-CE2 4.18Å; I172-Y176 WeakPolarHBondContact O-CB 3.39Å; I172-Y176 PolarHBondContact O-N 3.49Å; I172-L201 HydrophobicContact CG2-CD2 4.34Å
173I94Very high93Very high43 Ų4363.7 Ų63.722%0.22131%0.305CS..Hα-helixtrans-61.5-40.9176.1-70.9168.6000110.8T169 Y170 I171 W177 I180 L201T169-I173 HydrophobicContact CG2-CD1 3.92Å; T169-I173 HydrophobicContact CG2-CG1 4.47Å; T169-I173 WeakPolarHBondContact O-CB 3.24Å; T169-I173 VanDerWaalsContact O-CG1 3.24Å; T169-I173 WeakPolarHBondContact O-CG1 3.2Å; T169-I173 PolarHBondContact O-N 2.9Å; Y170-I173 PolarHBondContact O-N 2.69Å; I171-I173 PolarHBondContact O-N 2.77Å; I173-W177 HydrophobicContact CG2-CE3 3.71Å; I173-W177 HydrophobicContact CG2-CZ3 3.85Å; I173-W177 VanDerWaalsContact O-CA 3.27Å; I173-W177 WeakPolarHBondContact O-CA 3.36Å; I173-W177 WeakPolarHBondContact O-CB 3.11Å; I173-W177 PolarHBondContact O-N 3.47Å; I173-I180 HydrophobicContact CG1-CD1 4.5Å; I173-L201 HydrophobicContact CD1-CD1 3.78Å; I173-L201 HydrophobicContact CG1-CD1 4.04Å; I173-L201 HydrophobicContact CG1-CD2 4.1Å
174T95Very high92.6Very high76 Ų7658 Ų5847%0.46628%0.28SS..Hα-helixtrans-69.4-39.7178.735.70000112.3Y170 I171 I172Y170-T174 HydrophobicContact CE1-CG2 4.31Å; Y170-T174 PolarHBondContact O-N 3.06Å; Y170-T174 VanDerWaalsContact O-N 3.09Å; Y170-T174 PolarHBondContact O-OG1 3.23Å; I171-T174 WeakPolarHBondContact CA-OG1 3.34Å; I171-T174 PolarHBondContact O-N 2.88Å; I171-T174 PolarHBondContact O-OG1 3.19Å; I172-T174 VanDerWaalsContact C-N 3.3Å; I172-T174 PolarHBondContact O-N 3.1Å
175I95.2Very high92.2Very high109 Ų10964.6 Ų64.656%0.55931%0.308SS*.Hα-helixtrans-67.2-43.3176.9-66.8168.3000111.5I171 I172I171-I175 HydrophobicContact CG2-CD1 3.67Å; I171-I175 HydrophobicContact CG2-CG1 4.42Å; I171-I175 VanDerWaalsContact O-CG1 3.3Å; I171-I175 WeakPolarHBondContact O-CG1 3.3Å; I171-I175 PolarHBondContact O-N 2.78Å; I172-I175 PolarHBondContact O-N 2.94Å
176Y92.8Very high91.6Very high39 Ų3968.4 Ų68.415%0.15333%0.326CS..THydrogen-bonded Turntrans-9817.3-175.2-74.9-95.1000113.5I54 Q55 I172 E178 N179 I180I54-Y176 HydrophobicContact CB-CD1 4.28Å; I54-Y176 HydrophobicContact CD1-CD2 4.32Å; I54-Y176 HydrophobicContact CD1-CG 4.08Å; I54-Y176 HydrophobicContact CG2-CD1 3.46Å; I54-Y176 VanDerWaalsContact CG2-CD1 3.46Å; I54-Y176 HydrophobicContact CG2-CE1 4.13Å; I54-Y176 HydrophobicContact CG2-CG 3.91Å; Q55-Y176 HydrophobicContact CG-CE1 4.09Å; Q55-Y176 PolarHBondContact NE2-OH 3.32Å; I172-Y176 HydrophobicContact CD1-CD2 3.58Å; I172-Y176 HydrophobicContact CD1-CE2 3.48Å; I172-Y176 VanDerWaalsContact CD1-CE2 3.48Å; I172-Y176 HydrophobicContact CG1-CD2 3.82Å; I172-Y176 HydrophobicContact CG1-CE2 4.18Å; I172-Y176 WeakPolarHBondContact O-CB 3.39Å; I172-Y176 PolarHBondContact O-N 3.49Å; Y176-E178 VanDerWaalsContact C-N 3.31Å; Y176-E178 PolarHBondContact O-N 3.18Å; Y176-N179 HydrophobicContact CD1-CB 4.08Å; Y176-N179 VanDerWaalsContact CD1-ND2 3.3Å; Y176-N179 WeakPolarHBondContact CD1-ND2 3.41Å; Y176-N179 PolarHBondContact O-N 2.89Å; Y176-I180 WeakPolarHBondContact O-CG1 3.25Å; Y176-I180 PolarHBondContact O-N 3.46Å
177W91.9Very high90.9Very high131 Ų13167.3 Ų67.350%0.49632%0.324SS..Hα-helixtrans-53.9-46.9-172.7-174.4-110.1000112.6I173 I180 Q181I173-W177 HydrophobicContact CG2-CE3 3.71Å; I173-W177 HydrophobicContact CG2-CZ3 3.85Å; I173-W177 VanDerWaalsContact O-CA 3.27Å; I173-W177 WeakPolarHBondContact O-CA 3.36Å; I173-W177 WeakPolarHBondContact O-CB 3.11Å; I173-W177 PolarHBondContact O-N 3.47Å; W177-I180 PolarHBondContact O-N 3.06Å; W177-Q181 VanDerWaalsContact CZ2-NE2 3.3Å; W177-Q181 VanDerWaalsContact O-CG 3.25Å; W177-Q181 WeakPolarHBondContact O-CG 3.46Å; W177-Q181 PolarHBondContact O-N 3.45Å; W177-Q181 VanDerWaalsContact O-N 3.12Å
178E91.2Very high90.2Very high155 Ų15564.5 Ų64.572%0.72431%0.31SS*.Hα-helixtrans-65.8-40.5178.7-63.2-177.4173.500112.4Y176 Q181 M182Y176-E178 VanDerWaalsContact C-N 3.31Å; Y176-E178 PolarHBondContact O-N 3.18Å; E178-Q181 PolarHBondContact O-N 3.49Å; E178-M182 WeakPolarHBondContact O-CG 3.44Å; E178-M182 PolarHBondContact O-N 3.46Å
179N87.7Confident89.5Confident53 Ų5372 Ų7228%0.28335%0.35SS..Hα-helixtrans-65.2-41.9178.6-67.3-24.5000111.6Y176 Q181 M182 Y183Y176-N179 HydrophobicContact CD1-CB 4.08Å; Y176-N179 VanDerWaalsContact CD1-ND2 3.3Å; Y176-N179 WeakPolarHBondContact CD1-ND2 3.41Å; Y176-N179 PolarHBondContact O-N 2.89Å; N179-Q181 VanDerWaalsContact C-N 3.31Å; N179-Q181 PolarHBondContact O-N 2.97Å; N179-M182 PolarHBondContact O-N 3.11Å; N179-M182 WeakPolarHBondContact OD1-CE 3.39Å; N179-Y183 PolarHBondContact O-N 3Å
180I89.1Confident88.7Confident11 Ų1171.9 Ų71.96%0.05636%0.356CS..Hα-helixtrans-62.8-39.2175.7-66.8167000110.6I54 I173 Y176 W177 Y183 A184 L192 T197 L200I54-I180 HydrophobicContact CD1-CD1 4.43Å; I173-I180 HydrophobicContact CG1-CD1 4.5Å; Y176-I180 WeakPolarHBondContact O-CG1 3.25Å; Y176-I180 PolarHBondContact O-N 3.46Å; W177-I180 PolarHBondContact O-N 3.06Å; I180-Y183 PolarHBondContact O-N 3.47Å; I180-A184 WeakPolarHBondContact O-CB 3.49Å; I180-A184 PolarHBondContact O-N 3.25Å; I180-L192 HydrophobicContact CG2-CD2 4.33Å; I180-T197 HydrophobicContact CG2-CG2 3.61Å; I180-L200 HydrophobicContact CG1-CD1 4.44Å
181Q88.7Confident88.2Confident50 Ų5071.1 Ų71.123%0.23436%0.356CS..Hα-helixtrans-67.6-39.1176.6-67.4-68.1-11.600112.4W177 E178 N179 A184 K185W177-Q181 VanDerWaalsContact CZ2-NE2 3.3Å; W177-Q181 VanDerWaalsContact O-CG 3.25Å; W177-Q181 WeakPolarHBondContact O-CG 3.46Å; W177-Q181 PolarHBondContact O-N 3.45Å; W177-Q181 VanDerWaalsContact O-N 3.12Å; E178-Q181 PolarHBondContact O-N 3.49Å; N179-Q181 VanDerWaalsContact C-N 3.31Å; N179-Q181 PolarHBondContact O-N 2.97Å; Q181-A184 PolarHBondContact O-N 3.22Å; Q181-K185 WeakPolarHBondContact O-CG 3.3Å; Q181-K185 PolarHBondContact O-N 3.33Å
182M85.5Confident87.7Confident83 Ų8373.1 Ų73.141%0.40937%0.366SS..Hα-helixtrans-62.7-43.5173-71.4-169.7-70.200111.4M58 E178 N179 K185 L186M58-M182 HydrophobicContact CE-CB 4.21Å; M58-M182 HydrophobicContact CE-CE 3.86Å; M58-M182 HydrophobicContact CE-SD 4.37Å; E178-M182 WeakPolarHBondContact O-CG 3.44Å; E178-M182 PolarHBondContact O-N 3.46Å; N179-M182 PolarHBondContact O-N 3.11Å; N179-M182 WeakPolarHBondContact OD1-CE 3.39Å; M182-K185 PolarHBondContact O-N 3.39Å; M182-L186 WeakPolarHBondContact O-CG 3.47Å; M182-L186 PolarHBondContact O-N 3.28Å
183Y85.2Confident87.3Confident27 Ų2777.2 Ų77.211%0.10639%0.385CS..Hα-helixtrans-60.8-46.9175-176.4-93.5000112.3N57 I61 N179 I180 K185 L186 V187 L200N57-Y183 HydrophobicContact CB-CE2 4.05Å; I61-Y183 HydrophobicContact CD1-CD2 3.74Å; I61-Y183 HydrophobicContact CD1-CG 4.43Å; N179-Y183 PolarHBondContact O-N 3Å; I180-Y183 PolarHBondContact O-N 3.47Å; Y183-K185 VanDerWaalsContact C-N 3.29Å; Y183-K185 PolarHBondContact O-N 3.49Å; Y183-L186 PolarHBondContact O-N 3.2Å; Y183-L186 VanDerWaalsContact O-N 3.12Å; Y183-V187 HydrophobicContact CD1-CG2 4.39Å; Y183-V187 HydrophobicContact CD2-CG2 4.37Å; Y183-V187 HydrophobicContact CE1-CB 4.46Å; Y183-V187 HydrophobicContact CE1-CG2 4.02Å; Y183-V187 HydrophobicContact CE2-CG2 3.97Å; Y183-V187 PolarHBondContact O-N 3.47Å; Y183-L200 HydrophobicContact CD1-CD1 3.63Å; Y183-L200 HydrophobicContact CD1-CG 4.25Å; Y183-L200 HydrophobicContact CE1-CD1 3.93Å; Y183-L200 HydrophobicContact CE1-CD2 4.17Å; Y183-L200 HydrophobicContact CE1-CG 4.03Å; Y183-L200 HydrophobicContact CE2-CD2 4.36Å; Y183-L200 HydrophobicContact CG-CD1 4.01Å
184A87.6Confident86.8Confident0 Ų081 Ų810%040%0.404CS..Hα-helixtrans-62.1-3517800000112.9I180 Q181 L186 S188 N189 G190 L192I180-A184 WeakPolarHBondContact O-CB 3.49Å; I180-A184 PolarHBondContact O-N 3.25Å; Q181-A184 PolarHBondContact O-N 3.22Å; A184-L186 VanDerWaalsContact C-N 3.32Å; A184-L186 PolarHBondContact O-N 2.85Å; A184-S188 CarbonylContact O-C 3.36Å; A184-S188 VanDerWaalsContact O-C 3.3Å; A184-S188 WeakPolarHBondContact O-CA 3.44Å; A184-S188 PolarHBondContact O-N 2.93Å; A184-N189 PolarHBondContact O-N 2.8Å; A184-G190 PolarHBondContact O-N 3.37Å; A184-L192 HydrophobicContact CB-CD2 3.8Å
185K86.4Confident86.2Confident139 Ų13983.5 Ų83.560%0.60441%0.414SS*.Hα-helixtrans-62.1-38.1174.2-78175.6-177.71780112.8Q181 M182 Y183 N189Q181-K185 WeakPolarHBondContact O-CG 3.3Å; Q181-K185 PolarHBondContact O-N 3.33Å; M182-K185 PolarHBondContact O-N 3.39Å; Y183-K185 VanDerWaalsContact C-N 3.29Å; Y183-K185 PolarHBondContact O-N 3.49Å; K185-N189 WeakPolarHBondContact O-CA 3.48Å; K185-N189 PolarHBondContact O-N 2.9Å
186L81.9Confident85.5Confident109 Ų10979.6 Ų79.657%0.57140%0.395SS*.Hα-helixtrans-80.9-40.7-176.7-68.6167.9000112.9I61 M182 Y183 A184I61-L186 HydrophobicContact CB-CD1 3.93Å; I61-L186 HydrophobicContact CD1-CD1 3.49Å; I61-L186 VanDerWaalsContact CD1-CD1 3.49Å; I61-L186 HydrophobicContact CG1-CD1 3.49Å; I61-L186 VanDerWaalsContact CG1-CD1 3.49Å; I61-L186 HydrophobicContact CG2-CD1 3.24Å; M182-L186 WeakPolarHBondContact O-CG 3.47Å; M182-L186 PolarHBondContact O-N 3.28Å; Y183-L186 PolarHBondContact O-N 3.2Å; Y183-L186 VanDerWaalsContact O-N 3.12Å; A184-L186 VanDerWaalsContact C-N 3.32Å; A184-L186 PolarHBondContact O-N 2.85Å
187V82.5Confident85.2Confident70 Ų7078.2 Ų78.242%0.42439%0.391SS..Hα-helixtrans-91.8-32.7-173.3-175.50000112.5Y183 T196Y183-V187 HydrophobicContact CD1-CG2 4.39Å; Y183-V187 HydrophobicContact CD2-CG2 4.37Å; Y183-V187 HydrophobicContact CE1-CB 4.46Å; Y183-V187 HydrophobicContact CE1-CG2 4.02Å; Y183-V187 HydrophobicContact CE2-CG2 3.97Å; Y183-V187 PolarHBondContact O-N 3.47Å; V187-T196 HydrophobicContact CG1-CG2 3.73Å
188S80.6Confident84.9Confident10 Ų1072.4 Ų72.47%0.0737%0.372CS..Hα-helixtrans-134.728.3-172.3-170.50000112.9A184 G190 K191 E193A184-S188 CarbonylContact O-C 3.36Å; A184-S188 VanDerWaalsContact O-C 3.3Å; A184-S188 WeakPolarHBondContact O-CA 3.44Å; A184-S188 PolarHBondContact O-N 2.93Å; S188-G190 PolarHBondContact O-N 3.1Å; S188-K191 VanDerWaalsContact CB-O 3.32Å; S188-K191 WeakPolarHBondContact CB-O 3.39Å; S188-K191 WeakPolarHBondContact O-CB 3.36Å; S188-K191 PolarHBondContact O-N 3.36Å; S188-K191 PolarHBondContact OG-O 3.1Å; S188-E193 WeakPolarHBondContact OG-CG 3.39Å; S188-E193 PolarHBondContact OG-OE2 3.04Å
189N81.2Confident84.7Confident157 Ų15766.9 Ų66.984%0.8435%0.35SS*.THydrogen-bonded Turntrans51.430.6178-65.8-40.2000113.9A184 K185A184-N189 PolarHBondContact O-N 2.8Å; K185-N189 WeakPolarHBondContact O-CA 3.48Å; K185-N189 PolarHBondContact O-N 2.9Å
190G79.4Confident84.6Confident34 Ų3464.5 Ų64.535%0.35134%0.337SS..THydrogen-bonded Turntrans90.43.3178.600000114.6A184 S188A184-G190 PolarHBondContact O-N 3.37Å; S188-G190 PolarHBondContact O-N 3.1Å
191K85.2Confident84.7Confident140 Ų14066.3 Ų66.361%0.60935%0.347SS*.  trans-84.6134.7170.6-66.7-177.2179.7178.10110.3S188 E193S188-K191 VanDerWaalsContact CB-O 3.32Å; S188-K191 WeakPolarHBondContact CB-O 3.39Å; S188-K191 WeakPolarHBondContact O-CB 3.36Å; S188-K191 PolarHBondContact O-N 3.36Å; S188-K191 PolarHBondContact OG-O 3.1Å; K191-E193 VanDerWaalsContact C-N 3.32Å; K191-E193 HydrophobicContact CB-CG 4.12Å; K191-E193 PolarHBondContact O-N 3.04Å; K191-E193 VanDerWaalsContact O-N 3.09Å
192L85.5Confident84.7Confident95 Ų9567 Ų6750%0.49735%0.354SS..  trans-83.879.7174.3-64.7172.2000109.1I180 A184 T197I180-L192 HydrophobicContact CG2-CD2 4.33Å; A184-L192 HydrophobicContact CB-CD2 3.8Å; L192-T197 HydrophobicContact CD2-CG2 3.99Å
193E86.2Confident84.8Confident90 Ų9070.1 Ų70.142%0.42137%0.373SS..  trans-87.4138.9179.2-70.1-179.6157.900111.6S188 K191 N195 T196 T197 G198S188-E193 WeakPolarHBondContact OG-CG 3.39Å; S188-E193 PolarHBondContact OG-OE2 3.04Å; K191-E193 VanDerWaalsContact C-N 3.32Å; K191-E193 HydrophobicContact CB-CG 4.12Å; K191-E193 PolarHBondContact O-N 3.04Å; K191-E193 VanDerWaalsContact O-N 3.09Å; E193-N195 VanDerWaalsContact C-N 3.26Å; E193-N195 PolarHBondContact O-N 3.21Å; E193-T196 PolarHBondContact O-N 3.3Å; E193-T197 PolarHBondContact O-N 3.19Å; E193-G198 PolarHBondContact O-N 2.78Å
194M84.5Confident84.9Confident122 Ų12271.6 Ų71.660%0.60138%0.382SS*.THydrogen-bonded Turntrans-63.5-33.9178.2-174.661.4174.800111.8T196 G198 V202 L204M194-T196 VanDerWaalsContact C-N 3.28Å; M194-T196 PolarHBondContact O-N 2.91Å; M194-G198 WeakPolarHBondContact O-CA 3.45Å; M194-G198 PolarHBondContact O-N 3.04Å; M194-V202 HydrophobicContact CE-CG2 3.49Å; M194-V202 VanDerWaalsContact CE-CG2 3.49Å; M194-L204 HydrophobicContact CE-CD2 4.17Å; M194-L204 HydrophobicContact CG-CD2 4.49Å; M194-L204 WeakPolarHBondContact O-CD1 3.23Å
195N81.2Confident84.7Confident129 Ų12975 Ų7569%0.6940%0.404SS*.THydrogen-bonded Turntrans-70.4-25-177.6-16422.7000113.2E193 L204E193-N195 VanDerWaalsContact C-N 3.26Å; E193-N195 PolarHBondContact O-N 3.21Å; N195-L204 WeakPolarHBondContact O-CD1 3.43Å
196T81.8Confident84.4Confident27 Ų2770.5 Ų70.517%0.16640%0.398CS..THydrogen-bonded Turntrans-112.7-69.1-174.353.70000110.4V187 E193 M194 G198 S199V187-T196 HydrophobicContact CG1-CG2 3.73Å; E193-T196 PolarHBondContact O-N 3.3Å; M194-T196 VanDerWaalsContact C-N 3.28Å; M194-T196 PolarHBondContact O-N 2.91Å; T196-G198 VanDerWaalsContact C-N 3.28Å; T196-G198 PolarHBondContact O-N 3.18Å; T196-S199 WeakPolarHBondContact O-CB 3.32Å; T196-S199 PolarHBondContact O-N 3.34Å; T196-S199 PolarHBondContact O-OG 2.98Å
197T86.1Confident84.5Confident11 Ų1172.3 Ų72.37%0.06742%0.416CS..G310 helixtrans-66.4-31179.1-51.10000112I180 L192 E193 S199 L200I180-T197 HydrophobicContact CG2-CG2 3.61Å; L192-T197 HydrophobicContact CD2-CG2 3.99Å; E193-T197 PolarHBondContact O-N 3.19Å; T197-S199 PolarHBondContact O-N 2.66Å; T197-L200 HydrophobicContact CG2-CD1 4.39Å; T197-L200 WeakPolarHBondContact O-CB 3.38Å; T197-L200 WeakPolarHBondContact O-CG 3.39Å; T197-L200 PolarHBondContact O-N 2.81Å
198G85.9Confident84.7Confident8 Ų873.8 Ų73.88%0.08242%0.421CS..G310 helixtrans-63.3-25175.900000113.9E193 M194 T196 L200 L201 V202E193-G198 PolarHBondContact O-N 2.78Å; M194-G198 WeakPolarHBondContact O-CA 3.45Å; M194-G198 PolarHBondContact O-N 3.04Å; T196-G198 VanDerWaalsContact C-N 3.28Å; T196-G198 PolarHBondContact O-N 3.18Å; G198-L200 PolarHBondContact O-N 3.22Å; G198-L200 VanDerWaalsContact O-N 3.14Å; G198-L201 PolarHBondContact O-N 3.37Å; G198-V202 WeakPolarHBondContact O-CG2 3.27Å; G198-V202 PolarHBondContact O-N 3.39Å
199S85.3Confident85.2Confident39 Ų3976.1 Ų76.127%0.27344%0.437SS..G310 helixtrans-62.7-19.717770.30000113.5T196 T197 L201T196-S199 WeakPolarHBondContact O-CB 3.32Å; T196-S199 PolarHBondContact O-N 3.34Å; T196-S199 PolarHBondContact O-OG 2.98Å; T197-S199 PolarHBondContact O-N 2.66Å; S199-L201 VanDerWaalsContact C-N 3.27Å; S199-L201 PolarHBondContact O-N 3.1Å
200L87.3Confident85.6Confident3 Ų376.2 Ų76.22%0.01643%0.432CS..G310 helixtrans-75-15.4176.3-59.7179.9000113.5I54 N57 I180 Y183 T197 G198I54-L200 HydrophobicContact CG1-CB 4.31Å; N57-L200 HydrophobicContact CB-CD2 3.45Å; N57-L200 VanDerWaalsContact CB-CD2 3.45Å; I180-L200 HydrophobicContact CG1-CD1 4.44Å; Y183-L200 HydrophobicContact CD1-CD1 3.63Å; Y183-L200 HydrophobicContact CD1-CG 4.25Å; Y183-L200 HydrophobicContact CE1-CD1 3.93Å; Y183-L200 HydrophobicContact CE1-CD2 4.17Å; Y183-L200 HydrophobicContact CE1-CG 4.03Å; Y183-L200 HydrophobicContact CE2-CD2 4.36Å; Y183-L200 HydrophobicContact CG-CD1 4.01Å; T197-L200 HydrophobicContact CG2-CD1 4.39Å; T197-L200 WeakPolarHBondContact O-CB 3.38Å; T197-L200 WeakPolarHBondContact O-CG 3.39Å; T197-L200 PolarHBondContact O-N 2.81Å; G198-L200 PolarHBondContact O-N 3.22Å; G198-L200 VanDerWaalsContact O-N 3.14Å
201L90Very high86.2Confident49 Ų4977.9 Ų77.926%0.25744%0.438SS..THydrogen-bonded Turntrans-121.6-33.2-171.7-60.6178.2000112.5L50 T169 I172 I173 G198 S199L50-L201 HydrophobicContact CD1-CD2 4.28Å; T169-L201 HydrophobicContact CG2-CD2 4.38Å; I172-L201 HydrophobicContact CG2-CD2 4.34Å; I173-L201 HydrophobicContact CD1-CD1 3.78Å; I173-L201 HydrophobicContact CG1-CD1 4.04Å; I173-L201 HydrophobicContact CG1-CD2 4.1Å; G198-L201 PolarHBondContact O-N 3.37Å; S199-L201 VanDerWaalsContact C-N 3.27Å; S199-L201 PolarHBondContact O-N 3.1Å
202V89.8Confident86.4Confident64 Ų6474.2 Ų74.239%0.38843%0.43SS..SBendtrans-135.1151.2-178.6-60.70000110.7M194 G198 L204M194-V202 HydrophobicContact CE-CG2 3.49Å; M194-V202 VanDerWaalsContact CE-CG2 3.49Å; G198-V202 WeakPolarHBondContact O-CG2 3.27Å; G198-V202 PolarHBondContact O-N 3.39Å; V202-L204 HydrophobicContact CG2-CD2 3.98Å; V202-L204 HydrophobicContact CG2-CG 4.3Å; V202-L204 PolarHBondContact O-N 3.4Å
203N87.7Confident86.7Confident150 Ų15071.4 Ų71.480%0.80242%0.418SS*.PPolyproline II helixtrans-72.7118.9171.9-63.1-28.2000108.9
204L87.3Confident87Confident57 Ų5771.6 Ų71.630%0.29842%0.422SS..PPolyproline II helixtrans-101139.6176.3-64.1168.9000109.6M194 N195 V202 G206M194-L204 HydrophobicContact CE-CD2 4.17Å; M194-L204 HydrophobicContact CG-CD2 4.49Å; M194-L204 WeakPolarHBondContact O-CD1 3.23Å; N195-L204 WeakPolarHBondContact O-CD1 3.43Å; V202-L204 HydrophobicContact CG2-CD2 3.98Å; V202-L204 HydrophobicContact CG2-CG 4.3Å; V202-L204 PolarHBondContact O-N 3.4Å; L204-G206 PolarHBondContact O-N 3.31Å
205P83.8Confident87.4Confident71 Ų7174.1 Ų74.146%0.46143%0.425SS..PPolyproline II helixtrans-65.1126.917028.9-32.2000108.3
206G80.1Confident87.9Confident46 Ų4673 Ų7347%0.47442%0.419SS..  trans-67.7-158.5169.800000111.8L204 I208L204-G206 PolarHBondContact O-N 3.31Å; G206-I208 PolarHBondContact O-N 2.75Å
207P83.8Confident88.4Confident146 Ų14675.3 Ų75.395%0.94844%0.436SS*.SBendtrans-71.330177.332.3-36.5000113.7
208I87Confident88.7Confident102 Ų10278.6 Ų78.652%0.52345%0.452SS..SBendtrans-104.8150.6-170.9-60.3171.6000109.8G206G206-I208 PolarHBondContact O-N 2.75Å
209S91.1Very high89.2Confident58 Ų5883.4 Ų83.441%0.40648%0.475SS..  trans-59.8140.6175.983.70000112.1S211 S212 C213S209-S211 PolarHBondContact O-N 3.35Å; S209-S211 PolarHBondContact OG-OG 3.33Å; S209-S212 PolarHBondContact O-N 2.77Å; S209-S212 VanDerWaalsContact O-N 3.08Å; S209-S212 PolarHBondContact OG-N 3.18Å; S209-S212 PolarHBondContact OG-OG 3.38Å; S209-C213 PolarHBondContact O-N 2.88Å
210H89.4Confident89.5Confident159 Ų15984.9 Ų84.974%0.73649%0.486SS*.Hα-helixtrans-57.7-31.7176.6-63.3161.5000112.7C213 L214H210-C213 PolarHBondContact O-N 3.31Å; H210-L214 WeakPolarHBondContact O-CB 3.28Å; H210-L214 PolarHBondContact O-N 3.3Å
211S90.3Very high89.7Confident70 Ų7087.3 Ų87.349%0.4950%0.499SS..Hα-helixtrans-64.6-40.8176.237.60000112.7S209 L214 W215S209-S211 PolarHBondContact O-N 3.35Å; S209-S211 PolarHBondContact OG-OG 3.33Å; S211-L214 PolarHBondContact O-N 3.11Å; S211-W215 PolarHBondContact O-N 3.25Å; S211-W215 VanDerWaalsContact O-N 3.1Å
212S91.4Very high89.9Confident62 Ų6289 Ų8943%0.43451%0.511SS..Hα-helixtrans-66-42.8177.3-56.90000111.1S209 L214 W215 D216S209-S212 PolarHBondContact O-N 2.77Å; S209-S212 VanDerWaalsContact O-N 3.08Å; S209-S212 PolarHBondContact OG-N 3.18Å; S209-S212 PolarHBondContact OG-OG 3.38Å; S212-L214 VanDerWaalsContact C-N 3.29Å; S212-L214 PolarHBondContact O-N 3.41Å; S212-W215 PolarHBondContact O-N 2.95Å; S212-D216 WeakPolarHBondContact O-CB 3.28Å; S212-D216 PolarHBondContact O-N 3.24Å
213C91.3Very high90.1Very high37 Ų3789.7 Ų89.725%0.2551%0.512CS..Hα-helixtrans-62.6-35.4175.9-62.80000112.8S209 H210 S217S209-C213 PolarHBondContact O-N 2.88Å; H210-C213 PolarHBondContact O-N 3.31Å; C213-S217 WeakPolarHBondContact O-CB 3.22Å; C213-S217 PolarHBondContact O-N 2.97Å; C213-S217 PolarHBondContact O-OG 3.01Å
214L92Very high90.3Very high94 Ų9485.8 Ų85.849%0.49249%0.486SS..Hα-helixtrans-64.8-47.1175.4178.7148.2000111.4H210 S211 S212 S217 I218H210-L214 WeakPolarHBondContact O-CB 3.28Å; H210-L214 PolarHBondContact O-N 3.3Å; S211-L214 PolarHBondContact O-N 3.11Å; S212-L214 VanDerWaalsContact C-N 3.29Å; S212-L214 PolarHBondContact O-N 3.41Å; L214-S217 PolarHBondContact O-N 3.26Å; L214-I218 HydrophobicContact CD2-CD1 3.55Å; L214-I218 HydrophobicContact CD2-CG1 4.49Å; L214-I218 HydrophobicContact CG-CD1 4.28Å; L214-I218 WeakPolarHBondContact O-CG1 3.31Å; L214-I218 PolarHBondContact O-N 2.85Å
215W92.2Very high90.5Very high175 Ų17584.2 Ų84.266%0.66348%0.478SS*.Hα-helixtrans-66.1-39.3179.1-77118.4000112.7S211 S212 I218 L219S211-W215 PolarHBondContact O-N 3.25Å; S211-W215 VanDerWaalsContact O-N 3.1Å; S212-W215 PolarHBondContact O-N 2.95Å; W215-I218 HydrophobicContact CE3-CD1 4.22Å; W215-I218 HydrophobicContact CZ3-CD1 4.32Å; W215-I218 PolarHBondContact O-N 3.14Å; W215-L219 WeakPolarHBondContact O-CB 3.46Å; W215-L219 PolarHBondContact O-N 3.47Å
216D92.5Very high90.8Very high106 Ų10688.9 Ų88.957%0.56749%0.486SS*.Hα-helixtrans-58.3-47.8172.3176.169.2000111.5S212 I218 L219 S220S212-D216 WeakPolarHBondContact O-CB 3.28Å; S212-D216 PolarHBondContact O-N 3.24Å; D216-I218 VanDerWaalsContact C-N 3.32Å; D216-I218 PolarHBondContact O-N 3.36Å; D216-L219 PolarHBondContact O-N 3.08Å; D216-S220 WeakPolarHBondContact O-CB 3.39Å; D216-S220 PolarHBondContact O-N 2.92Å
217S92Very high91.3Very high75 Ų7590.7 Ų90.752%0.52448%0.484SS..Hα-helixtrans-61.2-39.7178.6-61.70000112.5C213 L214 N221C213-S217 WeakPolarHBondContact O-CB 3.22Å; C213-S217 PolarHBondContact O-N 2.97Å; C213-S217 PolarHBondContact O-OG 3.01Å; L214-S217 PolarHBondContact O-N 3.26Å; S217-N221 WeakPolarHBondContact O-CB 3.46Å; S217-N221 PolarHBondContact O-N 3.38Å; S217-N221 VanDerWaalsContact O-N 3.09Å
218I93.8Very high91.5Very high80 Ų8085.6 Ų85.641%0.4145%0.449SS..Hα-helixtrans-66.5-52.3176.5-69.2172.2000110.3L214 W215 D216 S220 N221 T222L214-I218 HydrophobicContact CD2-CD1 3.55Å; L214-I218 HydrophobicContact CD2-CG1 4.49Å; L214-I218 HydrophobicContact CG-CD1 4.28Å; L214-I218 WeakPolarHBondContact O-CG1 3.31Å; L214-I218 PolarHBondContact O-N 2.85Å; W215-I218 HydrophobicContact CE3-CD1 4.22Å; W215-I218 HydrophobicContact CZ3-CD1 4.32Å; W215-I218 PolarHBondContact O-N 3.14Å; D216-I218 VanDerWaalsContact C-N 3.32Å; D216-I218 PolarHBondContact O-N 3.36Å; I218-S220 PolarHBondContact O-N 3.28Å; I218-N221 PolarHBondContact O-N 3.26Å; I218-T222 VanDerWaalsContact O-CB 3.32Å; I218-T222 WeakPolarHBondContact O-CB 3.49Å; I218-T222 PolarHBondContact O-N 2.91Å; I218-T222 PolarHBondContact O-OG1 2.63Å; I218-T222 VanDerWaalsContact O-OG1 3.07Å
219L94.6Very high91.4Very high108 Ų10882.8 Ų82.857%0.56543%0.434SS*.Hα-helixtrans-61.6-47.2-176.7-177.564.5000111.3W215 D216 T222 I223W215-L219 WeakPolarHBondContact O-CB 3.46Å; W215-L219 PolarHBondContact O-N 3.47Å; D216-L219 PolarHBondContact O-N 3.08Å; L219-T222 PolarHBondContact O-N 3.11Å; L219-I223 HydrophobicContact CD1-CD1 4.16Å; L219-I223 HydrophobicContact CG-CD1 4.11Å; L219-I223 WeakPolarHBondContact O-CG1 3.28Å; L219-I223 PolarHBondContact O-N 3.48Å
220S92.3Very high91.1Very high71 Ų7183.2 Ų83.250%0.49743%0.431SS..Hα-helixtrans-61.4-48.1179-176.90000111.7D216 I218 T222 I223 Y224D216-S220 WeakPolarHBondContact O-CB 3.39Å; D216-S220 PolarHBondContact O-N 2.92Å; I218-S220 PolarHBondContact O-N 3.28Å; S220-T222 VanDerWaalsContact C-N 3.34Å; S220-T222 PolarHBondContact O-N 3.38Å; S220-I223 PolarHBondContact O-N 3.15Å; S220-Y224 WeakPolarHBondContact O-CB 3.45Å; S220-Y224 PolarHBondContact O-N 3.44Å
221N91.9Very high90.8Very high54 Ų5480.6 Ų80.629%0.28942%0.422SS..Hα-helixtrans-67.7-33.2178.6-171.456.3000112.4S217 I218 I225S217-N221 WeakPolarHBondContact O-CB 3.46Å; S217-N221 PolarHBondContact O-N 3.38Å; S217-N221 VanDerWaalsContact O-N 3.09Å; I218-N221 PolarHBondContact O-N 3.26Å; N221-I225 WeakPolarHBondContact ND2-CD1 3.34Å; N221-I225 WeakPolarHBondContact O-CB 3.44Å; N221-I225 VanDerWaalsContact O-CG1 3.29Å; N221-I225 WeakPolarHBondContact O-CG1 3.37Å; N221-I225 PolarHBondContact O-N 2.84Å
222T93.9Very high90.1Very high84 Ų8480 Ų8052%0.51542%0.416SS..Hα-helixtrans-63.5-51.2174-72.70000111.2I218 L219 S220 Y224 I225 W226I218-T222 VanDerWaalsContact O-CB 3.32Å; I218-T222 WeakPolarHBondContact O-CB 3.49Å; I218-T222 PolarHBondContact O-N 2.91Å; I218-T222 PolarHBondContact O-OG1 2.63Å; I218-T222 VanDerWaalsContact O-OG1 3.07Å; L219-T222 PolarHBondContact O-N 3.11Å; S220-T222 VanDerWaalsContact C-N 3.34Å; S220-T222 PolarHBondContact O-N 3.38Å; T222-Y224 VanDerWaalsContact C-N 3.34Å; T222-Y224 PolarHBondContact O-N 2.91Å; T222-I225 PolarHBondContact O-N 3.45Å; T222-W226 WeakPolarHBondContact O-CB 3.46Å; T222-W226 PolarHBondContact O-N 2.94Å
223I94.8Very high89.4Confident78 Ų7879.1 Ų79.140%0.441%0.406SS..Hα-helixtrans-61.9-45.3178.8-67168.2000110.3L219 S220 W226 I227L219-I223 HydrophobicContact CD1-CD1 4.16Å; L219-I223 HydrophobicContact CG-CD1 4.11Å; L219-I223 WeakPolarHBondContact O-CG1 3.28Å; L219-I223 PolarHBondContact O-N 3.48Å; S220-I223 PolarHBondContact O-N 3.15Å; I223-W226 PolarHBondContact O-N 2.99Å; I223-I227 HydrophobicContact CG2-CD1 3.75Å; I223-I227 HydrophobicContact CG2-CG1 4.42Å; I223-I227 WeakPolarHBondContact O-CG1 3.2Å; I223-I227 PolarHBondContact O-N 3.05Å
224Y91.7Very high88.3Confident68 Ų6882.9 Ų82.927%0.26742%0.418SS..Hα-helixtrans-57-50.9177.9167.4-113.6000112.6K86 I139 S220 T222 I228K86-Y224 WeakPolarHBondContact CE-OH 3.41Å; K86-Y224 VanDerWaalsContact NZ-CE2 3.27Å; K86-Y224 VanDerWaalsContact NZ-CZ 3.28Å; K86-Y224 PolarHBondContact NZ-OH 3.47Å; I139-Y224 HydrophobicContact CD1-CE1 3.72Å; I139-Y224 VanDerWaalsContact CD1-OH 3.28Å; I139-Y224 WeakPolarHBondContact CD1-OH 3.47Å; I139-Y224 HydrophobicContact CG1-CE1 3.88Å; S220-Y224 WeakPolarHBondContact O-CB 3.45Å; S220-Y224 PolarHBondContact O-N 3.44Å; T222-Y224 VanDerWaalsContact C-N 3.34Å; T222-Y224 PolarHBondContact O-N 2.91Å; Y224-I228 HydrophobicContact CD2-CG1 4.34Å; Y224-I228 HydrophobicContact CE2-CG1 4.23Å; Y224-I228 WeakPolarHBondContact O-CG1 3.3Å; Y224-I228 PolarHBondContact O-N 3.45Å; Y224-I228 VanDerWaalsContact O-N 3.13Å
225I91.2Very high87Confident24 Ų2485.6 Ų85.612%0.12343%0.433CS..Hα-helixtrans-67.2-39.9178.5-68.9170.7000110.6I139 A142 N221 T222 I227 I228 L229I139-I225 HydrophobicContact CG1-CG1 4.43Å; A142-I225 HydrophobicContact CB-CD1 4.5Å; A142-I225 HydrophobicContact CB-CG2 3.7Å; N221-I225 WeakPolarHBondContact ND2-CD1 3.34Å; N221-I225 WeakPolarHBondContact O-CB 3.44Å; N221-I225 VanDerWaalsContact O-CG1 3.29Å; N221-I225 WeakPolarHBondContact O-CG1 3.37Å; N221-I225 PolarHBondContact O-N 2.84Å; T222-I225 PolarHBondContact O-N 3.45Å; I225-I227 PolarHBondContact O-N 3.42Å; I225-I228 PolarHBondContact O-N 3.08Å; I225-L229 HydrophobicContact CG2-CD1 3.68Å; I225-L229 HydrophobicContact CG2-CG 4.01Å; I225-L229 WeakPolarHBondContact O-CB 3.39Å; I225-L229 VanDerWaalsContact O-CG 3.23Å; I225-L229 WeakPolarHBondContact O-CG 3.42Å; I225-L229 PolarHBondContact O-N 2.98Å
226W90.6Very high85.6Confident170 Ų17082.3 Ų82.364%0.64443%0.427SS*.Hα-helixtrans-59.6-47.7179.9-175.141.3000112.1T222 I223 L229 I230T222-W226 WeakPolarHBondContact O-CB 3.46Å; T222-W226 PolarHBondContact O-N 2.94Å; I223-W226 PolarHBondContact O-N 2.99Å; W226-L229 PolarHBondContact O-N 3.45Å; W226-I230 HydrophobicContact CD2-CD1 4.2Å; W226-I230 HydrophobicContact CG-CD1 4.3Å; W226-I230 HydrophobicContact CZ2-CD1 4.32Å; W226-I230 WeakPolarHBondContact O-CG1 3.32Å; W226-I230 PolarHBondContact O-N 3.14Å
227I90.4Very high83.8Confident83 Ų8379.4 Ų79.443%0.42642%0.415SS..Hα-helixtrans-62.3-45.4176.1-67.7170.4000110.8I223 I225 L229 I230 I231I223-I227 HydrophobicContact CG2-CD1 3.75Å; I223-I227 HydrophobicContact CG2-CG1 4.42Å; I223-I227 WeakPolarHBondContact O-CG1 3.2Å; I223-I227 PolarHBondContact O-N 3.05Å; I225-I227 PolarHBondContact O-N 3.42Å; I227-L229 VanDerWaalsContact C-N 3.31Å; I227-L229 PolarHBondContact O-N 3.02Å; I227-I230 PolarHBondContact O-N 2.85Å; I227-I231 HydrophobicContact CG2-CD1 3.64Å; I227-I231 HydrophobicContact CG2-CG1 4.34Å; I227-I231 WeakPolarHBondContact O-CG1 3.33Å; I227-I231 PolarHBondContact O-N 2.87Å
228I86.5Confident81.9Confident40 Ų4086.3 Ų86.321%0.20543%0.43CS..Hα-helixtrans-61.6-41.1179.6-69-69.4000111.4I139 Y224 I225 I231 T232I139-I228 HydrophobicContact CD1-CG2 4.42Å; Y224-I228 HydrophobicContact CD2-CG1 4.34Å; Y224-I228 HydrophobicContact CE2-CG1 4.23Å; Y224-I228 WeakPolarHBondContact O-CG1 3.3Å; Y224-I228 PolarHBondContact O-N 3.45Å; Y224-I228 VanDerWaalsContact O-N 3.13Å; I225-I228 PolarHBondContact O-N 3.08Å; I228-I231 PolarHBondContact O-N 3.3Å; I228-T232 WeakPolarHBondContact O-CB 3.38Å; I228-T232 PolarHBondContact O-N 2.91Å; I228-T232 PolarHBondContact O-OG1 2.96Å
229L84.7Confident80.4Confident42 Ų4284.4 Ų84.422%0.2243%0.43CS..Hα-helixtrans-66.5-39.6177.7-70.5176.3000112.1Y143 I146 I225 W226 I227 T232 D233Y143-L229 HydrophobicContact CD2-CD2 4.28Å; Y143-L229 HydrophobicContact CE2-CD2 3.91Å; I146-L229 HydrophobicContact CD1-CD1 3.66Å; I146-L229 HydrophobicContact CD1-CD2 3.35Å; I146-L229 HydrophobicContact CD1-CG 4.11Å; I225-L229 HydrophobicContact CG2-CD1 3.68Å; I225-L229 HydrophobicContact CG2-CG 4.01Å; I225-L229 WeakPolarHBondContact O-CB 3.39Å; I225-L229 VanDerWaalsContact O-CG 3.23Å; I225-L229 WeakPolarHBondContact O-CG 3.42Å; I225-L229 PolarHBondContact O-N 2.98Å; W226-L229 PolarHBondContact O-N 3.45Å; I227-L229 VanDerWaalsContact C-N 3.31Å; I227-L229 PolarHBondContact O-N 3.02Å; L229-T232 PolarHBondContact O-N 3.44Å; L229-D233 WeakPolarHBondContact O-CB 3.41Å; L229-D233 PolarHBondContact O-N 3.1Å
230I85.5Confident78.9Confident67 Ų6782.7 Ų82.734%0.34442%0.421SS..Hα-helixtrans-62.1-49.5174.5-70.6166.9000110.7W226 I227 T232 D233 S237W226-I230 HydrophobicContact CD2-CD1 4.2Å; W226-I230 HydrophobicContact CG-CD1 4.3Å; W226-I230 HydrophobicContact CZ2-CD1 4.32Å; W226-I230 WeakPolarHBondContact O-CG1 3.32Å; W226-I230 PolarHBondContact O-N 3.14Å; I227-I230 PolarHBondContact O-N 2.85Å; I230-T232 VanDerWaalsContact C-N 3.26Å; I230-T232 PolarHBondContact O-N 3.31Å; I230-D233 PolarHBondContact O-N 2.96Å; I230-S237 PolarHBondContact O-OG 3.46Å
231I82.4Confident77.7Confident105 Ų10586.2 Ų86.254%0.53843%0.429SS..Hα-helixtrans-63-35.7-179.3-68171.1000111.1I227 I228I227-I231 HydrophobicContact CG2-CD1 3.64Å; I227-I231 HydrophobicContact CG2-CG1 4.34Å; I227-I231 WeakPolarHBondContact O-CG1 3.33Å; I227-I231 PolarHBondContact O-N 2.87Å; I228-I231 PolarHBondContact O-N 3.3Å
232T77.3Confident76.6Confident58 Ų5885.9 Ų85.936%0.35643%0.434SS..Hα-helixtrans-87.1-7.1-178-44.50000113.2Y143 I228 L229 I230 K234Y143-T232 WeakPolarHBondContact OH-CG2 3.42Å; I228-T232 WeakPolarHBondContact O-CB 3.38Å; I228-T232 PolarHBondContact O-N 2.91Å; I228-T232 PolarHBondContact O-OG1 2.96Å; L229-T232 PolarHBondContact O-N 3.44Å; I230-T232 VanDerWaalsContact C-N 3.26Å; I230-T232 PolarHBondContact O-N 3.31Å; T232-K234 PolarHBondContact O-N 2.9Å
233D76.1Confident75.4Confident42 Ų4287.3 Ų87.323%0.22543%0.433CS..  trans-78.4110.1174.6-165.5-1.8000110.6L229 I230 N235 I236 S237L229-D233 WeakPolarHBondContact O-CB 3.41Å; L229-D233 PolarHBondContact O-N 3.1Å; I230-D233 PolarHBondContact O-N 2.96Å; D233-N235 PolarHBondContact O-N 3.49Å; D233-N235 WeakPolarHBondContact OD1-CB 3.41Å; D233-N235 PolarHBondContact OD1-N 3.29Å; D233-N235 PolarHBondContact OD1-ND2 3.43Å; D233-I236 HydrophobicContact CB-CB 4.44Å; D233-I236 HydrophobicContact CB-CD1 4.46Å; D233-I236 PolarHBondContact O-N 2.81Å; D233-I236 WeakPolarHBondContact OD2-CD1 3.4Å; D233-S237 WeakPolarHBondContact O-CB 3.39Å; D233-S237 PolarHBondContact O-N 3.34Å; D233-S237 PolarHBondContact O-OG 3.06Å
234K67.2Low74.4Confident117 Ų11789.2 Ų89.251%0.50944%0.439SS..THydrogen-bonded Turntrans-62.8-21.9177.7-56.2-177.8-164.6-170.90111.8S101 D130 T232S101-K234 VanDerWaalsContact OG-CD 3.26Å; S101-K234 WeakPolarHBondContact OG-CD 3.27Å; S101-K234 WeakPolarHBondContact OG-CE 3.38Å; S101-K234 PolarHBondContact OG-NZ 3.49Å; D130-K234 IonicContact OD2-NZ 2.93Å; D130-K234 PolarHBondContact OD2-NZ 3.31Å; T232-K234 PolarHBondContact O-N 2.9Å
235N65.2Low73.3Confident150 Ų15087.8 Ų87.880%0.80244%0.441SS*.THydrogen-bonded Turntrans-85.7-27.5-175.4-62.4-39.2000113.9D233D233-N235 PolarHBondContact O-N 3.49Å; D233-N235 WeakPolarHBondContact OD1-CB 3.41Å; D233-N235 PolarHBondContact OD1-N 3.29Å; D233-N235 PolarHBondContact OD1-ND2 3.43Å
236I62.5Low72.6Confident107 Ų10796.6 Ų96.655%0.54947%0.474SS..THydrogen-bonded Turntrans-98.8-32.7-177-63.9173000110.5D233 W238D233-I236 HydrophobicContact CB-CB 4.44Å; D233-I236 HydrophobicContact CB-CD1 4.46Å; D233-I236 PolarHBondContact O-N 2.81Å; D233-I236 WeakPolarHBondContact OD2-CD1 3.4Å; I236-W238 PolarHBondContact O-N 2.62Å
237S55.4Low71.9Confident45 Ų4595.8 Ų95.832%0.31548%0.482SS..  trans-78.1125.2179.7-66.40000110.1I230 D233 G239I230-S237 PolarHBondContact O-OG 3.46Å; D233-S237 WeakPolarHBondContact O-CB 3.39Å; D233-S237 PolarHBondContact O-N 3.34Å; D233-S237 PolarHBondContact O-OG 3.06Å; S237-G239 PolarHBondContact O-N 3.32Å
238W52.8Low71.5Confident219 Ų21998.3 Ų98.383%0.8349%0.487SS*.  trans-61.211.5165.5-58.386.5000113.4I236 Q241 A242I236-W238 PolarHBondContact O-N 2.62Å; W238-Q241 WeakPolarHBondContact O-CB 3.45Å; W238-Q241 PolarHBondContact O-N 3.01Å; W238-A242 HydrophobicContact CB-CB 3.55Å; W238-A242 HydrophobicContact CG-CB 4.35Å; W238-A242 PolarHBondContact O-N 3.32Å
239G60.6Low71.3Confident40 Ų40102.4 Ų102.441%0.41250%0.501SS..Hα-helixtrans55-165.9-173.100000113.2S237 Q241 A242S237-G239 PolarHBondContact O-N 3.32Å; G239-Q241 PolarHBondContact O-N 2.89Å; G239-Q241 VanDerWaalsContact O-N 3.12Å; G239-A242 PolarHBondContact O-N 3.04Å
240I64.8Low71.4Confident72 Ų72104.2 Ų104.237%0.36951%0.508SS..Hα-helixtrans-62.5-11.9166.4-73.2159.4000111.2A102 A242 F243 K244A102-I240 HydrophobicContact CB-CD1 4.45Å; I240-A242 VanDerWaalsContact C-N 3.33Å; I240-A242 PolarHBondContact O-N 2.92Å; I240-F243 PolarHBondContact O-N 3.43Å; I240-F243 VanDerWaalsContact O-N 3.14Å; I240-K244 HydrophobicContact CG2-CD 3.99Å; I240-K244 HydrophobicContact CG2-CG 4.08Å; I240-K244 PolarHBondContact O-N 3.01Å
241Q67Low71.5Confident146 Ų146106.8 Ų106.868%0.68251%0.513SS*.Hα-helixtrans-64.1-36.1178.4-54.5-176.117.300111.9W238 G239 F243 K244 A245W238-Q241 WeakPolarHBondContact O-CB 3.45Å; W238-Q241 PolarHBondContact O-N 3.01Å; G239-Q241 PolarHBondContact O-N 2.89Å; G239-Q241 VanDerWaalsContact O-N 3.12Å; Q241-F243 VanDerWaalsContact C-N 3.29Å; Q241-F243 PolarHBondContact O-N 2.96Å; Q241-K244 CarbonylContact O-C 3.19Å; Q241-K244 PolarHBondContact O-N 3Å; Q241-K244 VanDerWaalsContact O-N 3.13Å; Q241-A245 WeakPolarHBondContact O-CB 3.33Å; Q241-A245 PolarHBondContact O-N 3.48Å
242A67.4Low71.7Confident47 Ų47105.5 Ų105.539%0.38851%0.507SS..Hα-helixtrans-60.7-37.5172.600000113W238 G239 I240 K244W238-A242 HydrophobicContact CB-CB 3.55Å; W238-A242 HydrophobicContact CG-CB 4.35Å; W238-A242 PolarHBondContact O-N 3.32Å; G239-A242 PolarHBondContact O-N 3.04Å; I240-A242 VanDerWaalsContact C-N 3.33Å; I240-A242 PolarHBondContact O-N 2.92Å; A242-K244 VanDerWaalsContact C-N 3.34Å
243F70Confident72.2Confident113 Ų113105.9 Ų105.950%0.49651%0.511SS..Hα-helixtrans-76.1-21.5176.7-66.4-77.6000113.1I240 Q241 Y248 F250I240-F243 PolarHBondContact O-N 3.43Å; I240-F243 VanDerWaalsContact O-N 3.14Å; Q241-F243 VanDerWaalsContact C-N 3.29Å; Q241-F243 PolarHBondContact O-N 2.96Å; F243-Y248 WeakPolarHBondContact O-CA 3.23Å; F243-Y248 WeakPolarHBondContact O-CD1 3.4Å; F243-F250 HydrophobicContact CB-CD1 4.19Å; F243-F250 HydrophobicContact CB-CE1 4.49Å; F243-F250 HydrophobicContact CB-CG 4.5Å; F243-F250 HydrophobicContact CD1-CB 4.04Å; F243-F250 HydrophobicContact CD1-CD1 4.04Å; F243-F250 AromaticContact CD1-CD2 3.57Å; F243-F250 HydrophobicContact CD1-CD2 3.57Å; F243-F250 HydrophobicContact CD1-CE1 4.4Å; F243-F250 AromaticContact CD1-CE2 3.99Å; F243-F250 HydrophobicContact CD1-CE2 3.99Å; F243-F250 AromaticContact CD1-CG 3.59Å; F243-F250 HydrophobicContact CD1-CG 3.59Å; F243-F250 HydrophobicContact CD1-CZ 4.38Å; F243-F250 AromaticContact CE1-CD2 3.97Å; F243-F250 HydrophobicContact CE1-CD2 3.97Å; F243-F250 HydrophobicContact CE1-CE2 4.41Å; F243-F250 HydrophobicContact CE1-CG 4.34Å; F243-F250 WeakPolarHBondContact O-CD1 3.34Å
244K72.5Confident72.7Confident118 Ų118108.6 Ų108.651%0.51352%0.524SS..Hα-helixtrans-92.3-19.4175.5-71.4-178.7176.9-179.90113.4I240 Q241 A242 Y246 Y248I240-K244 HydrophobicContact CG2-CD 3.99Å; I240-K244 HydrophobicContact CG2-CG 4.08Å; I240-K244 PolarHBondContact O-N 3.01Å; Q241-K244 CarbonylContact O-C 3.19Å; Q241-K244 PolarHBondContact O-N 3Å; Q241-K244 VanDerWaalsContact O-N 3.13Å; A242-K244 VanDerWaalsContact C-N 3.34Å; K244-Y246 PolarHBondContact O-N 3.11Å; K244-Y248 HydrophobicContact CG-CE1 4Å; K244-Y248 PolarHBondContact O-N 3.4Å
245A69.8Low73.9Confident38 Ų38106.6 Ų106.631%0.31452%0.518SS..Hα-helixtrans-54.4137.1-177.300000111Q241 N247 Y248 Y249Q241-A245 WeakPolarHBondContact O-CB 3.33Å; Q241-A245 PolarHBondContact O-N 3.48Å; A245-N247 PolarHBondContact O-N 3.01Å; A245-Y248 PolarHBondContact O-N 3.49Å; A245-Y249 PolarHBondContact O-N 3.48Å
246Y76.1Confident75Confident209 Ų209101 Ų10182%0.8250%0.495SS*.Hα-helixtrans53.951.3178.3-55.2-79.1000114.4K244 Y249K244-Y246 PolarHBondContact O-N 3.11Å; Y246-Y249 PolarHBondContact O-N 2.97Å
247N76.8Confident76.5Confident153 Ų15399.8 Ų99.882%0.81850%0.495SS*.Hα-helixtrans55.252.9179.7-69-27.9000112.9A245A245-N247 PolarHBondContact O-N 3.01Å
248Y80.2Confident78.3Confident136 Ų136105.9 Ų105.953%0.53351%0.512SS..Hα-helixtrans61.442.9-179.8-54.6-88.3000113.5F243 K244 A245 F250 W251F243-Y248 WeakPolarHBondContact O-CA 3.23Å; F243-Y248 WeakPolarHBondContact O-CD1 3.4Å; K244-Y248 HydrophobicContact CG-CE1 4Å; K244-Y248 PolarHBondContact O-N 3.4Å; A245-Y248 PolarHBondContact O-N 3.49Å; Y248-F250 HydrophobicContact CD1-CE1 4.4Å; Y248-F250 PolarHBondContact O-N 3.03Å; Y248-F250 VanDerWaalsContact O-N 3.15Å; Y248-W251 PolarHBondContact O-NE1 3.33Å
249Y84.2Confident80.2Confident127 Ų12799.8 Ų99.850%0.49850%0.495SS..G310 helixtrans-63.6-21.1-177.2-178-97.7000114.2A245 Y246 W251 L252 P253A245-Y249 PolarHBondContact O-N 3.48Å; Y246-Y249 PolarHBondContact O-N 2.97Å; Y249-W251 PolarHBondContact O-N 3.31Å; Y249-L252 HydrophobicContact CD2-CB 4.37Å; Y249-L252 HydrophobicContact CD2-CD2 4.04Å; Y249-L252 HydrophobicContact CE2-CB 4.3Å; Y249-L252 HydrophobicContact CE2-CD2 3.54Å; Y249-L252 WeakPolarHBondContact O-CB 3.39Å; Y249-L252 PolarHBondContact O-N 2.96Å; Y249-P253 HydrophobicContact CD1-CG 4.19Å; Y249-P253 HydrophobicContact CE1-CG 3.55Å; Y249-P253 WeakPolarHBondContact O-CD 3.35Å
250F86.6Confident81.6Confident80 Ų80100 Ų10035%0.35150%0.496SS..G310 helixtrans-54.3-31.6-170.379.5-84.7000115.3F243 Y248 L252 I254F243-F250 HydrophobicContact CB-CD1 4.19Å; F243-F250 HydrophobicContact CB-CE1 4.49Å; F243-F250 HydrophobicContact CB-CG 4.5Å; F243-F250 HydrophobicContact CD1-CB 4.04Å; F243-F250 HydrophobicContact CD1-CD1 4.04Å; F243-F250 AromaticContact CD1-CD2 3.57Å; F243-F250 HydrophobicContact CD1-CD2 3.57Å; F243-F250 HydrophobicContact CD1-CE1 4.4Å; F243-F250 AromaticContact CD1-CE2 3.99Å; F243-F250 HydrophobicContact CD1-CE2 3.99Å; F243-F250 AromaticContact CD1-CG 3.59Å; F243-F250 HydrophobicContact CD1-CG 3.59Å; F243-F250 HydrophobicContact CD1-CZ 4.38Å; F243-F250 AromaticContact CE1-CD2 3.97Å; F243-F250 HydrophobicContact CE1-CD2 3.97Å; F243-F250 HydrophobicContact CE1-CE2 4.41Å; F243-F250 HydrophobicContact CE1-CG 4.34Å; F243-F250 WeakPolarHBondContact O-CD1 3.34Å; Y248-F250 HydrophobicContact CD1-CE1 4.4Å; Y248-F250 PolarHBondContact O-N 3.03Å; Y248-F250 VanDerWaalsContact O-N 3.15Å; F250-L252 VanDerWaalsContact C-N 3.32Å; F250-I254 HydrophobicContact CD2-CD1 4.26Å; F250-I254 WeakPolarHBondContact O-CD1 3.5Å; F250-I254 WeakPolarHBondContact O-CG1 3.44Å
251W87.2Confident82.8Confident120 Ų12099.3 Ų99.346%0.45550%0.502SS..G310 helixtrans-77.4-22-178.268.7-93.8000112.2Y248 Y249 I254 I255Y248-W251 PolarHBondContact O-NE1 3.33Å; Y249-W251 PolarHBondContact O-N 3.31Å; W251-I254 PolarHBondContact O-N 2.98Å; W251-I254 VanDerWaalsContact O-N 3.17Å; W251-I255 HydrophobicContact CE3-CB 4.1Å; W251-I255 HydrophobicContact CE3-CD1 3.91Å; W251-I255 HydrophobicContact CE3-CG1 4.33Å; W251-I255 HydrophobicContact CZ3-CB 4.47Å; W251-I255 PolarHBondContact O-N 2.7Å
252L86.3Confident84Confident78 Ų7897.8 Ų97.841%0.40850%0.498SS..Hα-helixtrans-68-45.5-173.3-162.975000112.2Y249 F250 I254 G256Y249-L252 HydrophobicContact CD2-CB 4.37Å; Y249-L252 HydrophobicContact CD2-CD2 4.04Å; Y249-L252 HydrophobicContact CE2-CB 4.3Å; Y249-L252 HydrophobicContact CE2-CD2 3.54Å; Y249-L252 WeakPolarHBondContact O-CB 3.39Å; Y249-L252 PolarHBondContact O-N 2.96Å; F250-L252 VanDerWaalsContact C-N 3.32Å; L252-I254 PolarHBondContact O-N 3.41Å; L252-G256 VanDerWaalsContact O-CA 3.27Å; L252-G256 WeakPolarHBondContact O-CA 3.21Å; L252-G256 PolarHBondContact O-N 3.34Å
253P86.9Confident85.2Confident67 Ų6799.8 Ų99.844%0.43550%0.501SS..Hα-helixtrans-67.5-20.8171.7-20.333.3000114Y249 P257Y249-P253 HydrophobicContact CD1-CG 4.19Å; Y249-P253 HydrophobicContact CE1-CG 3.55Å; Y249-P253 WeakPolarHBondContact O-CD 3.35Å; P253-P257 WeakPolarHBondContact O-CD 3.16Å; P253-P257 VanDerWaalsContact O-CG 3.27Å; P253-P257 WeakPolarHBondContact O-CG 3.38Å
254I87.8Confident86.1Confident98 Ų9896.3 Ų96.350%0.50350%0.497SS..Hα-helixtrans-79.4-53.9178.7-60.6172.1000109.4F250 W251 L252 Y258F250-I254 HydrophobicContact CD2-CD1 4.26Å; F250-I254 WeakPolarHBondContact O-CD1 3.5Å; F250-I254 WeakPolarHBondContact O-CG1 3.44Å; W251-I254 PolarHBondContact O-N 2.98Å; W251-I254 VanDerWaalsContact O-N 3.17Å; L252-I254 PolarHBondContact O-N 3.41Å; I254-Y258 WeakPolarHBondContact O-CD2 3.3Å; I254-Y258 WeakPolarHBondContact O-CE2 3.3Å
255I91.4Very high87Confident75 Ų7594.9 Ų94.939%0.38550%0.498SS..Hα-helixtrans-83.7-32.7-173.9-64-177.4000111.9W251 Y258 I259W251-I255 HydrophobicContact CE3-CB 4.1Å; W251-I255 HydrophobicContact CE3-CD1 3.91Å; W251-I255 HydrophobicContact CE3-CG1 4.33Å; W251-I255 HydrophobicContact CZ3-CB 4.47Å; W251-I255 PolarHBondContact O-N 2.7Å; I255-Y258 PolarHBondContact O-N 2.94Å; I255-I259 HydrophobicContact CG2-CD1 3.49Å; I255-I259 VanDerWaalsContact CG2-CD1 3.49Å; I255-I259 HydrophobicContact CG2-CG1 3.88Å; I255-I259 PolarHBondContact O-N 3.02Å; I255-I259 VanDerWaalsContact O-N 3.09Å
256G89.5Confident87.9Confident32 Ų3298.7 Ų98.733%0.3351%0.513SS..Hα-helixtrans-53.2-50.5-176.200000114.2L252 Y258 I259 G260L252-G256 VanDerWaalsContact O-CA 3.27Å; L252-G256 WeakPolarHBondContact O-CA 3.21Å; L252-G256 PolarHBondContact O-N 3.34Å; G256-Y258 VanDerWaalsContact C-N 3.35Å; G256-Y258 PolarHBondContact O-N 3.44Å; G256-I259 PolarHBondContact O-N 2.73Å; G256-G260 PolarHBondContact O-N 2.97Å
257P93.3Very high88.5Confident82 Ų8295.3 Ų95.353%0.53250%0.503SS..Hα-helixtrans-60.4-38.8177.6-26.736.2000113.7P253 G260 A261P253-P257 WeakPolarHBondContact O-CD 3.16Å; P253-P257 VanDerWaalsContact O-CG 3.27Å; P253-P257 WeakPolarHBondContact O-CG 3.38Å; P257-G260 PolarHBondContact O-N 3.47Å; P257-A261 VanDerWaalsContact O-CB 3.29Å; P257-A261 WeakPolarHBondContact O-CB 3.39Å; P257-A261 PolarHBondContact O-N 3.27Å
258Y92.3Very high88.8Confident174 Ų17495.7 Ų95.768%0.68249%0.494SS*.Hα-helixtrans-68.6-42.1178.9-63.3-75.8000112.1I254 I255 G256 A261 L262I254-Y258 WeakPolarHBondContact O-CD2 3.3Å; I254-Y258 WeakPolarHBondContact O-CE2 3.3Å; I255-Y258 PolarHBondContact O-N 2.94Å; G256-Y258 VanDerWaalsContact C-N 3.35Å; G256-Y258 PolarHBondContact O-N 3.44Å; Y258-A261 PolarHBondContact O-N 3.41Å; Y258-L262 WeakPolarHBondContact O-CB 3.47Å; Y258-L262 PolarHBondContact O-N 2.88Å
259I92.8Very high88.9Confident91 Ų9191.1 Ų91.147%0.46749%0.488SS..Hα-helixtrans-66-41.9174.6-63.9-179.2000110.3I255 G256 L262 I263I255-I259 HydrophobicContact CG2-CD1 3.49Å; I255-I259 VanDerWaalsContact CG2-CD1 3.49Å; I255-I259 HydrophobicContact CG2-CG1 3.88Å; I255-I259 PolarHBondContact O-N 3.02Å; I255-I259 VanDerWaalsContact O-N 3.09Å; G256-I259 PolarHBondContact O-N 2.73Å; I259-L262 PolarHBondContact O-N 3.42Å; I259-I263 HydrophobicContact CG2-CD1 3.8Å; I259-I263 HydrophobicContact CG2-CG1 4.44Å; I259-I263 WeakPolarHBondContact O-CG1 3.32Å; I259-I263 PolarHBondContact O-N 3.15Å
260G90Very high88.9Confident43 Ų4391.4 Ų91.444%0.44349%0.492SS..Hα-helixtrans-61.3-43.2176.600000112.7G256 P257 I263 G264G256-G260 PolarHBondContact O-N 2.97Å; P257-G260 PolarHBondContact O-N 3.47Å; G260-I263 PolarHBondContact O-N 2.88Å; G260-G264 PolarHBondContact O-N 2.86Å
261A91.8Very high88.6Confident58 Ų5891.6 Ų91.648%0.47950%0.5SS..Hα-helixtrans-62.2-46.117500000111.4P257 Y258 I263 G264 T265P257-A261 VanDerWaalsContact O-CB 3.29Å; P257-A261 WeakPolarHBondContact O-CB 3.39Å; P257-A261 PolarHBondContact O-N 3.27Å; Y258-A261 PolarHBondContact O-N 3.41Å; A261-I263 PolarHBondContact O-N 2.81Å; A261-G264 PolarHBondContact O-N 2.8Å; A261-T265 PolarHBondContact O-N 3.33Å; A261-T265 PolarHBondContact O-OG1 2.76Å; A261-T265 VanDerWaalsContact O-OG1 3.05Å
262L92.1Very high88.2Confident115 Ų11589.4 Ų89.460%0.60250%0.496SS*.Hα-helixtrans-57.7-48176.8-177.768.5000111.9Y258 I259 L266Y258-L262 WeakPolarHBondContact O-CB 3.47Å; Y258-L262 PolarHBondContact O-N 2.88Å; I259-L262 PolarHBondContact O-N 3.42Å; L262-L266 WeakPolarHBondContact O-CG 3.24Å; L262-L266 PolarHBondContact O-N 3.42Å
263I92.5Very high87.5Confident88 Ų8889 Ų8945%0.45150%0.499SS..Hα-helixtrans-66.8-41178.7-65.4170.2000111I259 G260 A261 T265 L266 F267I259-I263 HydrophobicContact CG2-CD1 3.8Å; I259-I263 HydrophobicContact CG2-CG1 4.44Å; I259-I263 WeakPolarHBondContact O-CG1 3.32Å; I259-I263 PolarHBondContact O-N 3.15Å; G260-I263 PolarHBondContact O-N 2.88Å; A261-I263 PolarHBondContact O-N 2.81Å; I263-T265 PolarHBondContact O-N 3.37Å; I263-L266 PolarHBondContact O-N 3.29Å; I263-F267 HydrophobicContact CG2-CD2 3.92Å; I263-F267 HydrophobicContact CG2-CE2 4.18Å; I263-F267 PolarHBondContact O-N 3.04Å
264G89.1Confident86.7Confident40 Ų4090.3 Ų90.341%0.41250%0.502SS..Hα-helixtrans-59.6-45.1177.900000112.5G260 A261 L266 F267 Y268G260-G264 PolarHBondContact O-N 2.86Å; A261-G264 PolarHBondContact O-N 2.8Å; G264-L266 PolarHBondContact O-N 2.85Å; G264-F267 PolarHBondContact O-N 3.42Å; G264-Y268 WeakPolarHBondContact O-CB 3.5Å; G264-Y268 PolarHBondContact O-N 3.49Å
265T90.8Very high85.8Confident89 Ų8991.9 Ų91.955%0.54651%0.506SS..Hα-helixtrans-63.4-40.3176.3-56.50000111.9A261 I263 Y268 G269A261-T265 PolarHBondContact O-N 3.33Å; A261-T265 PolarHBondContact O-OG1 2.76Å; A261-T265 VanDerWaalsContact O-OG1 3.05Å; I263-T265 PolarHBondContact O-N 3.37Å; T265-Y268 PolarHBondContact O-N 3.03Å; T265-G269 PolarHBondContact O-N 3.48Å
266L88.5Confident84.4Confident118 Ų11895 Ų9562%0.61852%0.517SS*.Hα-helixtrans-63.5-42175.4-71.2172.8000112.1L262 I263 G264 G269 F270L262-L266 WeakPolarHBondContact O-CG 3.24Å; L262-L266 PolarHBondContact O-N 3.42Å; I263-L266 PolarHBondContact O-N 3.29Å; G264-L266 PolarHBondContact O-N 2.85Å; L266-G269 PolarHBondContact O-N 3.38Å; L266-F270 WeakPolarHBondContact O-CB 3.34Å; L266-F270 PolarHBondContact O-N 2.99Å
267F89.5Confident82.9Confident138 Ų13898.7 Ų98.761%0.60553%0.529SS*.Hα-helixtrans-66.3-40.6176.5-100.7-93.3000112.8I263 G264 F270 T271I263-F267 HydrophobicContact CG2-CD2 3.92Å; I263-F267 HydrophobicContact CG2-CE2 4.18Å; I263-F267 PolarHBondContact O-N 3.04Å; G264-F267 PolarHBondContact O-N 3.42Å; F267-F270 PolarHBondContact O-N 2.88Å; F267-T271 WeakPolarHBondContact O-CB 3.36Å; F267-T271 PolarHBondContact O-N 3.39Å; F267-T271 PolarHBondContact O-OG1 3.42Å
268Y82.8Confident81.1Confident160 Ų16099.2 Ų99.263%0.62753%0.534SS*.Hα-helixtrans-60.4-48.9174.5176.1-104.6000111G264 T265 F270 T271 I272G264-Y268 WeakPolarHBondContact O-CB 3.5Å; G264-Y268 PolarHBondContact O-N 3.49Å; T265-Y268 PolarHBondContact O-N 3.03Å; Y268-F270 VanDerWaalsContact C-N 3.35Å; Y268-F270 PolarHBondContact O-N 3.32Å; Y268-T271 PolarHBondContact O-N 3.01Å; Y268-I272 HydrophobicContact CD1-CD1 4.25Å; Y268-I272 HydrophobicContact CD2-CD1 4.23Å; Y268-I272 HydrophobicContact CE1-CD1 3.56Å; Y268-I272 HydrophobicContact CE2-CD1 3.52Å; Y268-I272 HydrophobicContact CE2-CG1 4.21Å; Y268-I272 PolarHBondContact O-N 2.94Å; Y268-I272 WeakPolarHBondContact OH-CD1 3.43Å
269G81.5Confident79.2Confident40 Ų4098.5 Ų98.541%0.41254%0.535SS..Hα-helixtrans-58.9-42.4176.400000113T265 L266 C273T265-G269 PolarHBondContact O-N 3.48Å; L266-G269 PolarHBondContact O-N 3.38Å; G269-C273 WeakPolarHBondContact O-CB 3.5Å; G269-C273 PolarHBondContact O-N 3.23Å
270F83.7Confident77Confident133 Ų133100 Ų10058%0.58354%0.543SS*.Hα-helixtrans-64.9-42.1176.8-175.4-104000112.7L266 F267 Y268 C273 I274L266-F270 WeakPolarHBondContact O-CB 3.34Å; L266-F270 PolarHBondContact O-N 2.99Å; F267-F270 PolarHBondContact O-N 2.88Å; Y268-F270 VanDerWaalsContact C-N 3.35Å; Y268-F270 PolarHBondContact O-N 3.32Å; F270-C273 PolarHBondContact O-N 3.48Å; F270-I274 HydrophobicContact CD1-CD1 3.85Å; F270-I274 HydrophobicContact CE1-CD1 3.27Å; F270-I274 HydrophobicContact CE1-CG1 4.41Å; F270-I274 HydrophobicContact CE2-CD1 4.06Å; F270-I274 HydrophobicContact CG-CD1 4.48Å; F270-I274 HydrophobicContact CZ-CD1 3.4Å; F270-I274 VanDerWaalsContact CZ-CD1 3.4Å; F270-I274 HydrophobicContact CZ-CG1 4.39Å; F270-I274 PolarHBondContact O-N 3.42Å
271T80.3Confident75.1Confident84 Ų84105 Ų10552%0.51556%0.56SS.*Hα-helixtrans-67.4-43.7-178.6-53.30000111.4F267 Y268 I274 H275F267-T271 WeakPolarHBondContact O-CB 3.36Å; F267-T271 PolarHBondContact O-N 3.39Å; F267-T271 PolarHBondContact O-OG1 3.42Å; Y268-T271 PolarHBondContact O-N 3.01Å; T271-I274 PolarHBondContact O-N 3.22Å; T271-H275 PolarHBondContact O-N 3.28Å; T271-H275 VanDerWaalsContact O-N 3.12Å
272I79.4Confident72.7Confident75 Ų75112.5 Ų112.539%0.38558%0.578SS.*Hα-helixtrans-64.6-42.7174.4-70.3-171.1000110.8Y268 I274 H275 F276Y268-I272 HydrophobicContact CD1-CD1 4.25Å; Y268-I272 HydrophobicContact CD2-CD1 4.23Å; Y268-I272 HydrophobicContact CE1-CD1 3.56Å; Y268-I272 HydrophobicContact CE2-CD1 3.52Å; Y268-I272 HydrophobicContact CE2-CG1 4.21Å; Y268-I272 PolarHBondContact O-N 2.94Å; Y268-I272 WeakPolarHBondContact OH-CD1 3.43Å; I272-I274 VanDerWaalsContact C-N 3.33Å; I272-I274 PolarHBondContact O-N 3.14Å; I272-H275 PolarHBondContact O-N 3.03Å; I272-F276 WeakPolarHBondContact O-CB 3.39Å; I272-F276 PolarHBondContact O-N 3.47Å
273C70.9Confident70.4Confident70 Ų70115 Ų11547%0.47359%0.592SS.*Hα-helixtrans-58.1-44.6179.3-172.50000111.7G269 F270 I277G269-C273 WeakPolarHBondContact O-CB 3.5Å; G269-C273 PolarHBondContact O-N 3.23Å; F270-C273 PolarHBondContact O-N 3.48Å; C273-I277 WeakPolarHBondContact O-CB 3.35Å; C273-I277 WeakPolarHBondContact O-CD1 3.43Å; C273-I277 VanDerWaalsContact O-CG1 3.29Å; C273-I277 WeakPolarHBondContact O-CG1 3.19Å; C273-I277 PolarHBondContact O-N 2.73Å
274I69.9Low68.1Low94 Ų94118.8 Ų118.848%0.48261%0.607SS.*Hα-helixtrans-65.9-41.1177.1-71.2176.5000111.8F270 T271 I272 S278F270-I274 HydrophobicContact CD1-CD1 3.85Å; F270-I274 HydrophobicContact CE1-CD1 3.27Å; F270-I274 HydrophobicContact CE1-CG1 4.41Å; F270-I274 HydrophobicContact CE2-CD1 4.06Å; F270-I274 HydrophobicContact CG-CD1 4.48Å; F270-I274 HydrophobicContact CZ-CD1 3.4Å; F270-I274 VanDerWaalsContact CZ-CD1 3.4Å; F270-I274 HydrophobicContact CZ-CG1 4.39Å; F270-I274 PolarHBondContact O-N 3.42Å; T271-I274 PolarHBondContact O-N 3.22Å; I272-I274 VanDerWaalsContact C-N 3.33Å; I272-I274 PolarHBondContact O-N 3.14Å; I274-S278 PolarHBondContact O-N 3.36Å
275H70.3Confident65.7Low130 Ų130123.3 Ų123.360%0.60262%0.622SS**Hα-helixtrans-76-33.1-175.4-146.540.4000112.9T271 I272 S278T271-H275 PolarHBondContact O-N 3.28Å; T271-H275 VanDerWaalsContact O-N 3.12Å; I272-H275 PolarHBondContact O-N 3.03Å; H275-S278 PolarHBondContact O-N 2.91Å
276F62.6Low63.4Low141 Ų141127.6 Ų127.662%0.61864%0.635SS**Hα-helixtrans-73.9-29.8177.1-136-93.7000112.4I272 S278I272-F276 WeakPolarHBondContact O-CB 3.39Å; I272-F276 PolarHBondContact O-N 3.47Å; F276-S278 VanDerWaalsContact C-N 3.3Å; F276-S278 PolarHBondContact O-N 2.95Å
277I57.6Low61.1Low110 Ų110126.5 Ų126.556%0.56463%0.634SS**Hα-helixtrans-67-31.9174.1-76.8165.4000111.5C273 F279C273-I277 WeakPolarHBondContact O-CB 3.35Å; C273-I277 WeakPolarHBondContact O-CD1 3.43Å; C273-I277 VanDerWaalsContact O-CG1 3.29Å; C273-I277 WeakPolarHBondContact O-CG1 3.19Å; C273-I277 PolarHBondContact O-N 2.73Å; I277-F279 VanDerWaalsContact C-N 3.29Å; I277-F279 PolarHBondContact O-N 2.94Å
278S55.4Low58.6Low92 Ų92126.4 Ų126.464%0.64364%0.64SS**THydrogen-bonded Turntrans-77.4-7.3-176.3-159.10000115.1I274 H275 F276I274-S278 PolarHBondContact O-N 3.36Å; H275-S278 PolarHBondContact O-N 2.91Å; F276-S278 VanDerWaalsContact C-N 3.3Å; F276-S278 PolarHBondContact O-N 2.95Å
279F52Low56.4Low159 Ų159125.8 Ų125.870%0.69765%0.647SS**THydrogen-bonded Turntrans-110-14.5-177.8-94.8-78000115.8I277I277-F279 VanDerWaalsContact C-N 3.29Å; I277-F279 PolarHBondContact O-N 2.94Å
280N46.7Very low54.3Low122 Ų122133.2 Ų133.265%0.65267%0.668SS**G310 helixtrans-89.7-4.5-178.8-83-9.7000114.9Y282N280-Y282 VanDerWaalsContact C-N 3.25Å; N280-Y282 PolarHBondContact O-N 2.98Å
281D49.8Very low51.7Low148 Ų148135.1 Ų135.179%0.79168%0.679SS**G310 helixtrans-80.911.6-179.5-85.6-18.7000114.9
282Y42Very low49.2Very low216 Ų216137.4 Ų137.485%0.84770%0.697SS**G310 helixtrans-118.61.3-176.4-119.8-84.8000118.5N280N280-Y282 VanDerWaalsContact C-N 3.25Å; N280-Y282 PolarHBondContact O-N 2.98Å
283D43Very low47Very low169 Ų169139.7 Ų139.790%0.90471%0.714SS**  trans-108.277.7170.9-98.3-25.9000112.1
284H44.6Very low45.5Very low166 Ų166143.6 Ų143.677%0.76973%0.727SS**  trans-78.6133.2159.9-122.4-71.5000108.9
285N38Very low43.9Very low135 Ų135144.1 Ų144.172%0.72273%0.73SS**  trans101.672.8165.6-50.3-37000116.8
286H43.1Very low42.1Very low180 Ų180144.2 Ų144.283%0.83374%0.735SS**  -152.298.8124.5-112.7-59.3000112.1
287T40.2Very low41.3Very low95 Ų95141.8 Ų141.858%0.58373%0.732SS**  trans25.9117136.952.50000119.5
288N36.3Very low40.6Very low136 Ų136142 Ų14273%0.72774%0.738SS**  trans73.291.6133.2-52-23.3000117.4
289N36.7Very low40Very low147 Ų147140.8 Ų140.879%0.78673%0.73SS**  169.9114.3108.2-82.1-28.5000110.9
290K37Very low39.4Very low196 Ų196138 Ų13885%0.85272%0.722SS**  trans31.693.3141-57.1177.7-177.7175.20117.4
291E30.6Very low39.2Very low172 Ų172140.1 Ų140.180%0.80472%0.722SS**  178.6106.3121.3-100175-179.900108.4T293E291-T293 VanDerWaalsContact C-N 3.31Å; E291-T293 PolarHBondContact O-N 3.43Å
292C28.2Very low38.8Very low133 Ų133136.7 Ų136.790%0.89971%0.709SS**  trans-80.285.6161.1-86.40000107.5M294C292-M294 PolarHBondContact O-N 3.2Å
293T33Very low38.9Very low122 Ų122132 Ų13275%0.74870%0.695SS**  trans-91.386.7158.736.80000107.6E291 I295E291-T293 VanDerWaalsContact C-N 3.31Å; E291-T293 PolarHBondContact O-N 3.43Å; T293-I295 PolarHBondContact O-N 3.38Å
294M37.7Very low39.1Very low152 Ų152126.4 Ų126.475%0.74967%0.669SS**  trans-69.4110.4167-75.1-76.8-84.700108.3C292C292-M294 PolarHBondContact O-N 3.2Å
295I36.2Very low39.5Very low105 Ų105121.3 Ų121.354%0.53865%0.652SS.*  trans71.790.2137.7-48.8165000115.4T293T293-I295 PolarHBondContact O-N 3.38Å
296D34.2Very low40Very low132 Ų132119.7 Ų119.771%0.70664%0.643SS**  trans-127.914.7140.7-100.1-23000111.3T298 S299D296-T298 PolarHBondContact O-N 3.22Å; D296-T298 VanDerWaalsContact O-N 3.17Å; D296-S299 PolarHBondContact O-N 3.31Å
297T45Very low40.5Very low90 Ų90115.8 Ų115.855%0.55263%0.627SS**Hα-helixtrans-74.6-1.8-173.818.40000114.7Y301T297-Y301 HydrophobicContact CG2-CD2 4.42Å; T297-Y301 HydrophobicContact CG2-CE2 4.14Å; T297-Y301 WeakPolarHBondContact O-CD2 3.27Å
298T42Very low41.3Very low114 Ų114118.1 Ų118.170%0.69963%0.632SS**Hα-helixtrans-88.2-22.4172.6490000113.5D296D296-T298 PolarHBondContact O-N 3.22Å; D296-T298 VanDerWaalsContact O-N 3.17Å
299S43.1Very low42.3Very low67 Ų67118 Ų11847%0.46963%0.627SS.*Hα-helixtrans-78.2-40.4177.1-176.60000112.1D296 Q303D296-S299 PolarHBondContact O-N 3.31Å; S299-Q303 PolarHBondContact O-N 3.33Å
300N40.1Very low43.1Very low100 Ų100117.3 Ų117.354%0.53562%0.62SS.*Hα-helixtrans-82.7-27.2-170.3-69-22.9000113.9S304N300-S304 VanDerWaalsContact O-CB 3.3Å; N300-S304 WeakPolarHBondContact O-CB 3.5Å; N300-S304 PolarHBondContact O-N 2.96Å; N300-S304 PolarHBondContact O-OG 3.26Å
301Y42.1Very low44Very low167 Ų167113 Ų11366%0.65561%0.606SS**Hα-helixtrans-73.6-32.1176.9-87.8-87.1000113T297 S304 S305T297-Y301 HydrophobicContact CG2-CD2 4.42Å; T297-Y301 HydrophobicContact CG2-CE2 4.14Å; T297-Y301 WeakPolarHBondContact O-CD2 3.27Å; Y301-S304 PolarHBondContact O-OG 2.99Å; Y301-S305 WeakPolarHBondContact O-CB 3.35Å; Y301-S305 PolarHBondContact O-N 3.23Å; Y301-S305 PolarHBondContact O-OG 2.92Å
302C42.1Very low45.3Very low76 Ų76111.5 Ų111.551%0.51460%0.599SS.*Hα-helixtrans-74.4-30.2174.3-94.50000112.9L306C302-L306 WeakPolarHBondContact O-CB 3.48Å
303Q42.9Very low46.6Very low118 Ų118110.5 Ų110.555%0.55159%0.585SS**Hα-helixtrans-78.1-36171.4-82.3-170.1-80.600112.3S299 I307S299-Q303 PolarHBondContact O-N 3.33Å; Q303-I307 VanDerWaalsContact O-CB 3.27Å; Q303-I307 WeakPolarHBondContact O-CB 3.09Å; Q303-I307 VanDerWaalsContact O-CD1 3.25Å; Q303-I307 WeakPolarHBondContact O-CD1 3.42Å; Q303-I307 WeakPolarHBondContact O-CG1 3.48Å; Q303-I307 PolarHBondContact O-N 3.39Å
304S48.8Very low47.5Very low52 Ų52110.1 Ų110.136%0.36458%0.578SS.*Hα-helixtrans-74.3-38.6-179.475.20000112.5N300 Y301 I307 E308N300-S304 VanDerWaalsContact O-CB 3.3Å; N300-S304 WeakPolarHBondContact O-CB 3.5Å; N300-S304 PolarHBondContact O-N 2.96Å; N300-S304 PolarHBondContact O-OG 3.26Å; Y301-S304 PolarHBondContact O-OG 2.99Å; S304-I307 PolarHBondContact O-N 3.04Å; S304-E308 WeakPolarHBondContact O-CB 3.27Å; S304-E308 PolarHBondContact O-N 3.34Å
305S51.4Low48.3Very low58 Ų58109.9 Ų109.941%0.40657%0.573SS.*Hα-helixtrans-72.7-38.4-178.887.80000112.8Y301 I307 E309Y301-S305 WeakPolarHBondContact O-CB 3.35Å; Y301-S305 PolarHBondContact O-N 3.23Å; Y301-S305 PolarHBondContact O-OG 2.92Å; S305-I307 VanDerWaalsContact C-N 3.32Å; S305-E309 PolarHBondContact O-N 3.32Å
306L48.5Very low49Very low102 Ų102109.3 Ų109.353%0.53457%0.571SS.*Hα-helixtrans-70.4-29.1175.6-81.6170.7000112.4C302 M310C302-L306 WeakPolarHBondContact O-CB 3.48Å; L306-M310 VanDerWaalsContact O-CB 3.31Å; L306-M310 WeakPolarHBondContact O-CB 3.34Å; L306-M310 WeakPolarHBondContact O-CG 3.39Å; L306-M310 PolarHBondContact O-N 3.29Å
307I53.4Low49.9Very low98 Ų98108.3 Ų108.350%0.50356%0.564SS.*Hα-helixtrans-79.9-34.2176.8-67.9171.8000111.4Q303 S304 S305 N311Q303-I307 VanDerWaalsContact O-CB 3.27Å; Q303-I307 WeakPolarHBondContact O-CB 3.09Å; Q303-I307 VanDerWaalsContact O-CD1 3.25Å; Q303-I307 WeakPolarHBondContact O-CD1 3.42Å; Q303-I307 WeakPolarHBondContact O-CG1 3.48Å; Q303-I307 PolarHBondContact O-N 3.39Å; S304-I307 PolarHBondContact O-N 3.04Å; S305-I307 VanDerWaalsContact C-N 3.32Å; I307-N311 WeakPolarHBondContact O-CB 3.25Å; I307-N311 PolarHBondContact O-N 3.02Å
308E57.3Low50.2Low144 Ų144107.6 Ų107.667%0.67356%0.56SS**Hα-helixtrans-71.9-41.8174.3-83.8-179156.700112.6S304 N311 E312S304-E308 WeakPolarHBondContact O-CB 3.27Å; S304-E308 PolarHBondContact O-N 3.34Å; E308-N311 PolarHBondContact O-N 3.38Å; E308-E312 PolarHBondContact O-N 2.95Å
309E58Low50.7Low134 Ų134108 Ų10863%0.62655%0.554SS**Hα-helixtrans-67-38.6175.9-89-178.5152.200112.4S305 N311 E312 D313S305-E309 PolarHBondContact O-N 3.32Å; E309-N311 VanDerWaalsContact C-N 3.25Å; E309-N311 PolarHBondContact O-N 3.29Å; E309-E312 PolarHBondContact O-N 3.44Å; E309-D313 PolarHBondContact O-N 3.12Å
310M53.6Low50.9Low132 Ų132110.3 Ų110.365%0.6556%0.56SS**Hα-helixtrans-68.7-23176.1-73.2-178.266.800113.3L306 L314L306-M310 VanDerWaalsContact O-CB 3.31Å; L306-M310 WeakPolarHBondContact O-CB 3.34Å; L306-M310 WeakPolarHBondContact O-CG 3.39Å; L306-M310 PolarHBondContact O-N 3.29Å; M310-L314 WeakPolarHBondContact O-CB 3.44Å; M310-L314 PolarHBondContact O-N 3.02Å
311N56.2Low51.4Low104 Ų104111.2 Ų111.256%0.55657%0.565SS**Hα-helixtrans-82.5-33.7176.6-99.8-11.8000112.9I307 E308 E309 L314 F315I307-N311 WeakPolarHBondContact O-CB 3.25Å; I307-N311 PolarHBondContact O-N 3.02Å; E308-N311 PolarHBondContact O-N 3.38Å; E309-N311 VanDerWaalsContact C-N 3.25Å; E309-N311 PolarHBondContact O-N 3.29Å; N311-L314 PolarHBondContact O-N 2.88Å; N311-F315 WeakPolarHBondContact O-CB 3.32Å; N311-F315 PolarHBondContact O-N 2.83Å
312E57.2Low51.8Low141 Ų141109.1 Ų109.166%0.65957%0.565SS**Hα-helixtrans-66-42173.9-91.7-96.1151.900111.6E308 E309 L314 F315 N316E308-E312 PolarHBondContact O-N 2.95Å; E309-E312 PolarHBondContact O-N 3.44Å; E312-L314 VanDerWaalsContact C-N 3.32Å; E312-L314 PolarHBondContact O-N 3.46Å; E312-F315 PolarHBondContact O-N 3.44Å; E312-N316 PolarHBondContact O-N 3.12Å; E312-N316 VanDerWaalsContact O-N 3.11Å
313D55.6Low51.7Low113 Ų113110.8 Ų110.860%0.60458%0.576SS**Hα-helixtrans-68.6-30.9176.2-78.6-23.2000112.5E309 I317E309-D313 PolarHBondContact O-N 3.12Å; D313-I317 WeakPolarHBondContact O-CD1 3.48Å; D313-I317 WeakPolarHBondContact O-CG1 3.36Å; D313-I317 PolarHBondContact O-N 3.44Å
314L52.8Low51.8Low113 Ų113113.8 Ų113.859%0.59259%0.588SS**Hα-helixtrans-73-34.2174.3-137.979.6000112M310 N311 E312 I317 T318M310-L314 WeakPolarHBondContact O-CB 3.44Å; M310-L314 PolarHBondContact O-N 3.02Å; N311-L314 PolarHBondContact O-N 2.88Å; E312-L314 VanDerWaalsContact C-N 3.32Å; E312-L314 PolarHBondContact O-N 3.46Å; L314-I317 PolarHBondContact O-N 3.34Å; L314-T318 PolarHBondContact O-N 2.88Å; L314-T318 PolarHBondContact O-OG1 3.01Å
315F54.1Low51.8Low147 Ų147116.5 Ų116.565%0.64560%0.602SS**Hα-helixtrans-71.9-35.4-179.8-147.2-93.9000112N311 E312 I317 T318 E319N311-F315 WeakPolarHBondContact O-CB 3.32Å; N311-F315 PolarHBondContact O-N 2.83Å; E312-F315 PolarHBondContact O-N 3.44Å; F315-I317 VanDerWaalsContact C-N 3.32Å; F315-I317 PolarHBondContact O-N 2.92Å; F315-T318 WeakPolarHBondContact CA-OG1 3.45Å; F315-T318 PolarHBondContact O-N 3.09Å; F315-T318 PolarHBondContact O-OG1 3.04Å; F315-E319 PolarHBondContact O-N 3.48Å
316N51Low51.4Low93 Ų93121.6 Ų121.650%0.49763%0.625SS.*Hα-helixtrans-70.3-26.3174.5-110.8-24.8000113.4E312E312-N316 PolarHBondContact O-N 3.12Å; E312-N316 VanDerWaalsContact O-N 3.11Å
317I51.5Low51.1Low111 Ų111121.6 Ų121.657%0.56963%0.633SS**Hα-helixtrans-77.6-32.6174.9-65.5168.9000110.6D313 L314 F315 I320D313-I317 WeakPolarHBondContact O-CD1 3.48Å; D313-I317 WeakPolarHBondContact O-CG1 3.36Å; D313-I317 PolarHBondContact O-N 3.44Å; L314-I317 PolarHBondContact O-N 3.34Å; F315-I317 VanDerWaalsContact C-N 3.32Å; F315-I317 PolarHBondContact O-N 2.92Å; I317-I320 PolarHBondContact O-N 2.97Å
318T53Low50.6Low75 Ų75126.2 Ų126.246%0.4665%0.65SS.*Hα-helixtrans-70.8-28.3174.747.80000113.7L314 F315 I320 D321L314-T318 PolarHBondContact O-N 2.88Å; L314-T318 PolarHBondContact O-OG1 3.01Å; F315-T318 WeakPolarHBondContact CA-OG1 3.45Å; F315-T318 PolarHBondContact O-N 3.09Å; F315-T318 PolarHBondContact O-OG1 3.04Å; T318-I320 PolarHBondContact O-N 3.34Å; T318-D321 PolarHBondContact O-N 3.29Å
319E51.1Low49.7Very low123 Ų123128.6 Ų128.658%0.57566%0.661SS**Hα-helixtrans-74.3-16.6178.4-144.7172-163.800112.9F315F315-E319 PolarHBondContact O-N 3.48Å
320I49.2Very low48.9Very low115 Ų115129.3 Ų129.359%0.5967%0.667SS**Hα-helixtrans-79.2-26.5174.6-64.1170.8000111.6I317 T318I317-I320 PolarHBondContact O-N 2.97Å; T318-I320 PolarHBondContact O-N 3.34Å
321D48.9Very low48.1Very low120 Ų120129.3 Ų129.364%0.64267%0.67SS**Hα-helixtrans-74.9-27.7175.6-85.4-24.8000112.4T318 C323 F324T318-D321 PolarHBondContact O-N 3.29Å; D321-C323 VanDerWaalsContact C-N 3.35Å; D321-C323 PolarHBondContact O-N 2.74Å; D321-F324 PolarHBondContact O-N 3.09Å
322D50.2Low47.1Very low123 Ų123138.3 Ų138.366%0.65870%0.698SS**Hα-helixtrans-74.9-23177.1-82.2-22.2000113.3F324 T325D322-F324 PolarHBondContact O-N 3.37Å; D322-T325 PolarHBondContact O-N 2.99Å
323C42Very low46.6Very low110 Ų110138.2 Ų138.274%0.74370%0.7SS**THydrogen-bonded Turntrans-69.3-14175.1-103.80000114.3D321D321-C323 VanDerWaalsContact C-N 3.35Å; D321-C323 PolarHBondContact O-N 2.74Å
324F43.7Very low46.1Very low181 Ų181139.5 Ų139.579%0.79471%0.705SS**THydrogen-bonded Turntrans-92.4-2.8178.9-102.9-83.5000114.7D321 D322D321-F324 PolarHBondContact O-N 3.09Å; D322-F324 PolarHBondContact O-N 3.37Å
325T49.4Very low45.8Very low109 Ų109141 Ų14167%0.66971%0.711SS**SBendtrans-97.7-6.2-171.8-40.60000114D322 S327D322-T325 PolarHBondContact O-N 2.99Å; T325-S327 PolarHBondContact O-N 2.93Å
326D42Very low45.3Very low165 Ų165140.6 Ų140.688%0.88272%0.715SS**THydrogen-bonded Turntrans-87.716.7-172.8-110.2-8.6000116.2
327S44Very low44.9Very low102 Ų102143.6 Ų143.671%0.71373%0.729SS**THydrogen-bonded Turntrans-105.515.3-176.884.20000115.8T325T325-S327 PolarHBondContact O-N 2.93Å
328K41.5Very low44.5Very low196 Ų196145.8 Ų145.885%0.85274%0.739SS**  trans-13956.9175.4-73.7-168.7178.4177.30114
329E38.7Very low43.9Very low193 Ų193150.9 Ų150.990%0.90276%0.759SS**  trans-111.575.5150.3-113.8-164.8174.600108.7
330I40.4Very low43.3Very low149 Ų149153 Ų15376%0.76477%0.773SS**  trans-140.4100.6163-58.3-178.1000108
331L36.7Very low42.8Very low133 Ų133156.2 Ų156.270%0.69679%0.789SS**  trans48.2121.1139-80.1111.1000120
332Y36.6Very low42.3Very low293 Ų293159.5 Ų159.5100%1.14980%0.802SS**  trans91.30157.7-69.1-72.4000119.3

Retrieved 332 of 332 residues in 603.4 ms (Link to these results)