A0A5K4FDQ7_SCHMA Loading...

C3H1-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FDQ7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 390 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
1M35.9Very low31.3Very low244 Ų244168.4 Ų168.4100%1.20282%0.815SS**  0108.20-94.2162.983.800108.5
2I29.9Very low31.7Very low165 Ų165162.3 Ų162.385%0.84680%0.803SS**  trans-90.2127.4-177.7-61.1164.1000107.8K4I2-K4 PolarHBondContact O-N 3.39Å
3P32.8Very low31.8Very low115 Ų115160.4 Ų160.475%0.74780%0.798SS**  trans-69.5133.9-176.227.2-30.5000110.5K5P3-K5 PolarHBondContact O-N 3.25Å; P3-K5 VanDerWaalsContact O-N 3.16Å
4K33.8Very low32.2Very low201 Ų201155.6 Ų155.687%0.87478%0.776SS**  trans-55.3115.9175.6-75.9174175.1173.90109.3I2 T6I2-K4 PolarHBondContact O-N 3.39Å; K4-T6 PolarHBondContact O-N 2.88Å
5K33.8Very low32.5Very low206 Ų206150 Ų15090%0.89675%0.749SS**  trans-54.8109.9168.8-89.9177.3173.9174.30109.2P3 R7P3-K5 PolarHBondContact O-N 3.25Å; P3-K5 VanDerWaalsContact O-N 3.16Å; K5-R7 VanDerWaalsContact C-N 3.35Å; K5-R7 PolarHBondContact O-N 2.73Å
6T29.9Very low32.5Very low132 Ų132154.2 Ų154.281%0.8176%0.755SS**  trans-63.995.5170-30.70000108.1K4 L8K4-T6 PolarHBondContact O-N 2.88Å; T6-L8 PolarHBondContact O-N 3.34Å
7R25.4Very low32.4Very low224 Ų224150.5 Ų150.585%0.84574%0.74SS**  trans-75.591.7176.1-154.7-179.7-176-165.71.3106.7K5 Q9K5-R7 VanDerWaalsContact C-N 3.35Å; K5-R7 PolarHBondContact O-N 2.73Å; R7-Q9 VanDerWaalsContact C-N 3.31Å; R7-Q9 PolarHBondContact O-N 3.33Å
8L29.6Very low32.7Very low132 Ų132147.4 Ų147.469%0.69174%0.735SS**  trans-61.297.6169.1-83.6158.8000107.8T6 F10T6-L8 PolarHBondContact O-N 3.34Å; L8-F10 VanDerWaalsContact C-N 3.25Å; L8-F10 HydrophobicContact CB-CD2 3.96Å; L8-F10 HydrophobicContact CB-CE2 3.8Å; L8-F10 HydrophobicContact CD1-CE2 4.2Å; L8-F10 HydrophobicContact CG-CE2 4.4Å; L8-F10 PolarHBondContact O-N 2.78Å
9Q28.9Very low32.9Very low170 Ų170145.8 Ų145.879%0.79473%0.729SS**  trans-67.989.5166.9-78.2-175.2-12.600107.4R7 N11R7-Q9 VanDerWaalsContact C-N 3.31Å; R7-Q9 PolarHBondContact O-N 3.33Å; Q9-N11 PolarHBondContact O-N 3.34Å; Q9-N11 VanDerWaalsContact O-N 3.13Å
10F33.2Very low33.1Very low153 Ų153143.6 Ų143.667%0.67172%0.719SS**  trans-71.8105.4166.5-85.3-83.4000108.1L8 S12L8-F10 VanDerWaalsContact C-N 3.25Å; L8-F10 HydrophobicContact CB-CD2 3.96Å; L8-F10 HydrophobicContact CB-CE2 3.8Å; L8-F10 HydrophobicContact CD1-CE2 4.2Å; L8-F10 HydrophobicContact CG-CE2 4.4Å; L8-F10 PolarHBondContact O-N 2.78Å; F10-S12 PolarHBondContact O-N 3.01Å; F10-S12 VanDerWaalsContact O-N 3.12Å
11N31.3Very low33.3Very low110 Ų110140.1 Ų140.159%0.58870%0.698SS**  trans-51.5118.7165.8-89.6-27.3000108.1Q9 N13 L14Q9-N11 PolarHBondContact O-N 3.34Å; Q9-N11 VanDerWaalsContact O-N 3.13Å; N11-N13 PolarHBondContact O-N 3.32Å; N11-L14 HydrophobicContact CB-CD1 4.35Å; N11-L14 PolarHBondContact O-N 3.33Å
12S35.4Very low33.6Very low96 Ų96138 Ų13867%0.67168%0.683SS**THydrogen-bonded Turntrans-55-6.9178.638.90000114.5F10F10-S12 PolarHBondContact O-N 3.01Å; F10-S12 VanDerWaalsContact O-N 3.12Å
13N34Very low34.1Very low137 Ų137139 Ų13973%0.73368%0.684SS**THydrogen-bonded Turntrans-94.9-7.9179.5-61.7-21.5000113.9N11N11-N13 PolarHBondContact O-N 3.32Å
14L36.6Very low35Very low94 Ų94136 Ų13649%0.49267%0.666SS.*SBendtrans-87.6-15-176.1-99157000114.9N11 L20N11-L14 HydrophobicContact CB-CD1 4.35Å; N11-L14 PolarHBondContact O-N 3.33Å; L14-L20 HydrophobicContact CD2-CD1 4.14Å
15L36.3Very low36.1Very low71 Ų71131.2 Ų131.237%0.37265%0.649SS.*THydrogen-bonded Turntrans-87.8-3.4179.4-120.198.5000114N17 Y21 Y51L15-N17 VanDerWaalsContact C-N 3.3Å; L15-Y21 WeakPolarHBondContact CD2-OH 3.19Å; L15-Y51 HydrophobicContact CB-CE1 4.42Å; L15-Y51 HydrophobicContact CD2-CD1 3.48Å; L15-Y51 VanDerWaalsContact CD2-CD1 3.48Å; L15-Y51 HydrophobicContact CD2-CD2 4.39Å; L15-Y51 HydrophobicContact CD2-CE1 3.49Å; L15-Y51 VanDerWaalsContact CD2-CE1 3.49Å; L15-Y51 HydrophobicContact CD2-CE2 4.4Å; L15-Y51 HydrophobicContact CD2-CG 3.94Å
16Y32.9Very low37.5Very low217 Ų217124.1 Ų124.185%0.85162%0.621SS**THydrogen-bonded Turntrans-85.5-2.6-179.3-131.4-91.9000113.4S18Y16-S18 PolarHBondContact O-N 3.48Å
17N31.6Very low39.1Very low92 Ų92121 Ų12149%0.49260%0.604SS.*  trans-91.3100.1173.1-101.5-18.2000109.8L15 N19 L20L15-N17 VanDerWaalsContact C-N 3.3Å; N17-N19 PolarHBondContact O-N 3.47Å; N17-L20 PolarHBondContact O-N 3.07Å
18S37.7Very low40.9Very low94 Ų94113.4 Ų113.466%0.65759%0.586SS**THydrogen-bonded Turntrans-50-16166.746.90000113.9Y16Y16-S18 PolarHBondContact O-N 3.48Å
19N35.8Very low42.6Very low117 Ų117109.2 Ų109.263%0.62656%0.564SS**THydrogen-bonded Turntrans-88.8-11.1179.7-67.3-23.9000115.1N17N17-N19 PolarHBondContact O-N 3.47Å
20L36.4Very low44.8Very low101 Ų101104 Ų10453%0.52954%0.541SS..G310 helixtrans-88.6-7.6173.5-106.9145.8000113.1L14 N17 K22L14-L20 HydrophobicContact CD2-CD1 4.14Å; N17-L20 PolarHBondContact O-N 3.07Å; L20-K22 PolarHBondContact O-N 3.11Å
21Y38.2Very low46.5Very low71 Ų71105.5 Ų105.528%0.27855%0.547SS..G310 helixtrans-77.8-1.3175.2-87.5-85.7000114.2L15 Q23L15-Y21 WeakPolarHBondContact CD2-OH 3.19Å; Y21-Q23 PolarHBondContact O-N 3.49Å
22K41Very low48.4Very low200 Ų200103 Ų10387%0.8754%0.538SS*.G310 helixtrans-74.5-7.4173.7-102.6-176.3176.1-177.50114L20L20-K22 PolarHBondContact O-N 3.11Å
23Q40.7Very low50.1Low187 Ų187101.8 Ų101.887%0.87454%0.54SS*.THydrogen-bonded Turntrans-154.15-178.4-118.81686.500116.3Y21 N25Y21-Q23 PolarHBondContact O-N 3.49Å; Q23-N25 PolarHBondContact O-N 3.47Å
24S51.6Low52Low52 Ų52101 Ų10136%0.36453%0.533SS..  trans-75.397.4169.352.30000108.9L26S24-L26 PolarHBondContact O-N 3.37Å
25N57.3Low54.1Low100 Ų10098.5 Ų98.554%0.53552%0.517SS..  trans-55.3102.4179.4-164.2-17.6000109Q23 S27 S28 L29Q23-N25 PolarHBondContact O-N 3.47Å; N25-S27 PolarHBondContact O-N 3.43Å; N25-S27 VanDerWaalsContact OD1-CB 3.3Å; N25-S27 WeakPolarHBondContact OD1-CB 3.42Å; N25-S27 PolarHBondContact OD1-N 3.23Å; N25-S28 WeakPolarHBondContact O-CA 3.5Å; N25-S28 PolarHBondContact O-N 3.03Å; N25-S28 PolarHBondContact O-OG 3.38Å; N25-L29 PolarHBondContact O-N 3.01Å
26L63.1Low56.3Low56 Ų56101.4 Ų101.429%0.29352%0.524SS..Hα-helixtrans-51.2-34.2-179.7-17669.9000110.8S24 S28 L29 I30 I37 L43 L53S24-L26 PolarHBondContact O-N 3.37Å; L26-S28 VanDerWaalsContact C-N 3.35Å; L26-S28 PolarHBondContact O-N 2.9Å; L26-L29 PolarHBondContact O-N 3.35Å; L26-I30 HydrophobicContact CD2-CD1 4.45Å; L26-I30 HydrophobicContact CG-CD1 3.96Å; L26-I30 WeakPolarHBondContact O-CG1 3.5Å; L26-I30 PolarHBondContact O-N 3.19Å; L26-I37 HydrophobicContact CD2-CD1 4.4Å; L26-L43 HydrophobicContact CD1-CD1 4.15Å; L26-L53 HydrophobicContact CD1-CD2 3.58Å
27S63.2Low58.7Low66 Ų6694 Ų9446%0.46250%0.499SS..Hα-helixtrans-62.9-34.5174.6-53.10000113.4N25 K31N25-S27 PolarHBondContact O-N 3.43Å; N25-S27 VanDerWaalsContact OD1-CB 3.3Å; N25-S27 WeakPolarHBondContact OD1-CB 3.42Å; N25-S27 PolarHBondContact OD1-N 3.23Å; S27-K31 WeakPolarHBondContact O-CB 3.18Å; S27-K31 WeakPolarHBondContact O-CG 3.4Å; S27-K31 PolarHBondContact O-N 3.29Å
28S63.4Low61.1Low65 Ų6590.7 Ų90.746%0.45548%0.481SS..Hα-helixtrans-73.9-34.3175.671.20000112.2N25 L26 S32N25-S28 WeakPolarHBondContact O-CA 3.5Å; N25-S28 PolarHBondContact O-N 3.03Å; N25-S28 PolarHBondContact O-OG 3.38Å; L26-S28 VanDerWaalsContact C-N 3.35Å; L26-S28 PolarHBondContact O-N 2.9Å; S28-S32 PolarHBondContact O-N 3.09Å; S28-S32 VanDerWaalsContact O-N 3.11Å
29L66.9Low63Low44 Ų4492.9 Ų92.923%0.2348%0.481CS..Hα-helixtrans-65.8-43.9174.3-74.3165.1000111.5N25 L26 S32 F35 L43N25-L29 PolarHBondContact O-N 3.01Å; L26-L29 PolarHBondContact O-N 3.35Å; L29-S32 WeakPolarHBondContact O-CB 3.44Å; L29-S32 PolarHBondContact O-N 3.32Å; L29-S32 PolarHBondContact O-OG 3.5Å; L29-F35 HydrophobicContact CB-CD2 4.39Å; L29-F35 HydrophobicContact CD2-CD2 4.06Å; L29-F35 HydrophobicContact CD2-CE1 4.47Å; L29-F35 HydrophobicContact CD2-CE2 3.77Å; L29-F35 HydrophobicContact CD2-CZ 4Å; L29-L43 HydrophobicContact CD1-CD2 4.37Å
30I73.5Confident64.8Low62 Ų6293 Ų9332%0.31848%0.476SS..Hα-helixtrans-69-43.4177.1-63.5166.9000110.6L26 S32 G33 I37L26-I30 HydrophobicContact CD2-CD1 4.45Å; L26-I30 HydrophobicContact CG-CD1 3.96Å; L26-I30 WeakPolarHBondContact O-CG1 3.5Å; L26-I30 PolarHBondContact O-N 3.19Å; I30-S32 PolarHBondContact O-N 3.08Å; I30-S32 VanDerWaalsContact O-N 3.15Å; I30-G33 PolarHBondContact O-N 3.48Å; I30-I37 HydrophobicContact CD1-CD1 3.84Å; I30-I37 HydrophobicContact CD1-CG1 4.31Å
31K68.5Low66.7Low184 Ų18488.7 Ų88.780%0.846%0.456SS*.Hα-helixtrans-60.1-24.2176.3-80.2179.1179.3-171.20113.6S27 G33S27-K31 WeakPolarHBondContact O-CB 3.18Å; S27-K31 WeakPolarHBondContact O-CG 3.4Å; S27-K31 PolarHBondContact O-N 3.29Å; K31-G33 PolarHBondContact O-N 3.44Å
32S71.1Confident68.7Low58 Ų5888.7 Ų88.741%0.40646%0.458SS..THydrogen-bonded Turntrans-66.7-17.1175.879.20000113.7S28 L29 I30 Q34S28-S32 PolarHBondContact O-N 3.09Å; S28-S32 VanDerWaalsContact O-N 3.11Å; L29-S32 WeakPolarHBondContact O-CB 3.44Å; L29-S32 PolarHBondContact O-N 3.32Å; L29-S32 PolarHBondContact O-OG 3.5Å; I30-S32 PolarHBondContact O-N 3.08Å; I30-S32 VanDerWaalsContact O-N 3.15Å; S32-Q34 PolarHBondContact O-N 3.05Å; S32-Q34 VanDerWaalsContact O-N 3.1Å; S32-Q34 PolarHBondContact OG-N 3.3Å
33G72.7Confident70.7Confident69 Ų6979.2 Ų79.271%0.71142%0.417SS*.SBendtrans69.1-1.6-175.300000114.5I30 K31 F35I30-G33 PolarHBondContact O-N 3.48Å; K31-G33 PolarHBondContact O-N 3.44Å; G33-F35 VanDerWaalsContact C-N 3.34Å
34Q72.7Confident72.6Confident122 Ų12270.4 Ų70.457%0.5738%0.375SS*.SBendtrans-87.8-8.8178.4-61.6-176.46.500112.9S32 T45 S46S32-Q34 PolarHBondContact O-N 3.05Å; S32-Q34 VanDerWaalsContact O-N 3.1Å; S32-Q34 PolarHBondContact OG-N 3.3Å; Q34-T45 CarbonylContact O-C 3.6Å; Q34-S46 PolarHBondContact O-N 3.06Å
35F81Confident74.2Confident40 Ų4068.5 Ų68.518%0.17536%0.362CS..EExtended strand (participates in β ladder)trans-134.6141.8-178-56.7-101.6000109.7L29 G33 L43 V44 T45L29-F35 HydrophobicContact CB-CD2 4.39Å; L29-F35 HydrophobicContact CD2-CD2 4.06Å; L29-F35 HydrophobicContact CD2-CE1 4.47Å; L29-F35 HydrophobicContact CD2-CE2 3.77Å; L29-F35 HydrophobicContact CD2-CZ 4Å; G33-F35 VanDerWaalsContact C-N 3.34Å; F35-L43 HydrophobicContact CB-CD1 3.83Å; F35-L43 HydrophobicContact CB-CG 4.26Å; F35-L43 HydrophobicContact CD1-CD1 4.44Å; F35-L43 HydrophobicContact CD1-CD2 3.86Å; F35-L43 HydrophobicContact CD1-CG 3.98Å; F35-L43 HydrophobicContact CE1-CD2 4.4Å; F35-V44 VanDerWaalsContact CA-O 3.26Å; F35-V44 WeakPolarHBondContact CA-O 3.32Å; F35-T45 HydrophobicContact CD1-CG2 3.51Å; F35-T45 HydrophobicContact CE1-CG2 3.15Å; F35-T45 HydrophobicContact CZ-CG2 3.98Å
36Y83.2Confident75Confident132 Ų13268.9 Ų68.952%0.51837%0.372SS..EExtended strand (participates in β ladder)trans-133.4163.6169.866.1-86.9000109.6D38 V44Y36-D38 HydrophobicContact CE2-CB 4.19Å; Y36-V44 HydrophobicContact CD1-CB 4.18Å; Y36-V44 HydrophobicContact CD2-CB 4.21Å; Y36-V44 HydrophobicContact CE1-CB 3.75Å; Y36-V44 HydrophobicContact CE1-CG1 3.7Å; Y36-V44 HydrophobicContact CE2-CB 3.77Å; Y36-V44 HydrophobicContact CE2-CG1 4.21Å; Y36-V44 HydrophobicContact CE2-CG2 4Å; Y36-V44 HydrophobicContact CG-CB 4.4Å; Y36-V44 PolarHBondContact N-O 3.27Å; Y36-V44 PolarHBondContact O-N 3.48Å; Y36-V44 WeakPolarHBondContact OH-CG1 3.45Å
37I83.8Confident75.7Confident63 Ų6371.9 Ų71.932%0.32339%0.389SS..EExtended strand (participates in β ladder)trans-98.4125172.8-61.5175.9000107.5L26 I30 F42 L43 L53L26-I37 HydrophobicContact CD2-CD1 4.4Å; I30-I37 HydrophobicContact CD1-CD1 3.84Å; I30-I37 HydrophobicContact CD1-CG1 4.31Å; I37-F42 WeakPolarHBondContact CA-O 3.35Å; I37-L43 HydrophobicContact CG1-CD1 4.41Å; I37-L53 HydrophobicContact CD1-CD1 3.97Å; I37-L53 HydrophobicContact CG1-CD1 4.27Å
38D80.9Confident76.2Confident21 Ų2171 Ų7111%0.11239%0.39CS..  trans-76.9170.617774.74.2000112.3Y36 F40 G41 F42 V44 R50Y36-D38 HydrophobicContact CE2-CB 4.19Å; D38-F40 PolarHBondContact O-N 2.94Å; D38-F40 WeakPolarHBondContact OD1-CA 3.38Å; D38-F40 WeakPolarHBondContact OD1-CB 3.19Å; D38-F40 PolarHBondContact OD1-N 3.12Å; D38-G41 PolarHBondContact O-N 2.95Å; D38-G41 PolarHBondContact OD1-N 2.99Å; D38-G41 VanDerWaalsContact OD1-N 3.09Å; D38-F42 PolarHBondContact N-O 3.37Å; D38-F42 PolarHBondContact OD1-N 3.2Å; D38-V44 HydrophobicContact CB-CG2 3.69Å; D38-R50 IonicContact OD2-CZ 2.87Å; D38-R50 IonicContact OD2-NE 3.6Å; D38-R50 IonicContact OD2-NH1 3.08Å
39Q78.7Confident76.8Confident141 Ų14172.6 Ų72.666%0.65939%0.389SS*.THydrogen-bonded Turntrans-60.8-4.1176.570.9-176.410.800114.3P63Q39-P63 WeakPolarHBondContact O-CB 3.35Å
40F73.7Confident77.4Confident119 Ų11977.4 Ų77.452%0.52240%0.403SS..THydrogen-bonded Turntrans-1113.3179.6-57.6-71.4000112.1D38 F42D38-F40 PolarHBondContact O-N 2.94Å; D38-F40 WeakPolarHBondContact OD1-CA 3.38Å; D38-F40 WeakPolarHBondContact OD1-CB 3.19Å; D38-F40 PolarHBondContact OD1-N 3.12Å; F40-F42 HydrophobicContact CB-CD2 3.63Å; F40-F42 HydrophobicContact CB-CE2 3.77Å
41G76.1Confident77.5Confident10 Ų1076.4 Ų76.410%0.10340%0.396CS..SBendtrans82.118.5179.700000114.2D38D38-G41 PolarHBondContact O-N 2.95Å; D38-G41 PolarHBondContact OD1-N 2.99Å; D38-G41 VanDerWaalsContact OD1-N 3.09Å
42F78.7Confident77.7Confident71 Ų7172 Ų7231%0.31139%0.386SS..EExtended strand (participates in β ladder)trans-93.9143.1173.7-64.9-97.2000110.9I37 D38 F40 V44 R50 Y51 P52I37-F42 WeakPolarHBondContact CA-O 3.35Å; D38-F42 PolarHBondContact N-O 3.37Å; D38-F42 PolarHBondContact OD1-N 3.2Å; F40-F42 HydrophobicContact CB-CD2 3.63Å; F40-F42 HydrophobicContact CB-CE2 3.77Å; F42-V44 PolarHBondContact O-N 3.09Å; F42-R50 HydrophobicContact CB-CB 4.05Å; F42-R50 HydrophobicContact CD1-CB 4.24Å; F42-R50 HydrophobicContact CG-CB 4.3Å; F42-Y51 WeakPolarHBondContact CA-O 3.33Å; F42-P52 HydrophobicContact CD1-CB 4.21Å; F42-P52 HydrophobicContact CE1-CB 4.02Å
43L83Confident77.4Confident2 Ų270.3 Ų70.31%0.0137%0.372CS..EExtended strand (participates in β ladder)trans-76.6117.2166.7-172.274.1000108.5L26 L29 F35 I37 Y51 L53L26-L43 HydrophobicContact CD1-CD1 4.15Å; L29-L43 HydrophobicContact CD1-CD2 4.37Å; F35-L43 HydrophobicContact CB-CD1 3.83Å; F35-L43 HydrophobicContact CB-CG 4.26Å; F35-L43 HydrophobicContact CD1-CD1 4.44Å; F35-L43 HydrophobicContact CD1-CD2 3.86Å; F35-L43 HydrophobicContact CD1-CG 3.98Å; F35-L43 HydrophobicContact CE1-CD2 4.4Å; I37-L43 HydrophobicContact CG1-CD1 4.41Å; L43-Y51 PolarHBondContact N-O 3.35Å; L43-Y51 PolarHBondContact O-N 3.31Å; L43-L53 HydrophobicContact CB-CD2 3.92Å; L43-L53 HydrophobicContact CB-CG 4.27Å
44V82.2Confident76.5Confident1 Ų172.1 Ų72.11%0.00637%0.374CS..EExtended strand (participates in β ladder)trans-108.6125.6-178.9-170.60000109.8F35 Y36 D38 F42 K49 R50F35-V44 VanDerWaalsContact CA-O 3.26Å; F35-V44 WeakPolarHBondContact CA-O 3.32Å; Y36-V44 HydrophobicContact CD1-CB 4.18Å; Y36-V44 HydrophobicContact CD2-CB 4.21Å; Y36-V44 HydrophobicContact CE1-CB 3.75Å; Y36-V44 HydrophobicContact CE1-CG1 3.7Å; Y36-V44 HydrophobicContact CE2-CB 3.77Å; Y36-V44 HydrophobicContact CE2-CG1 4.21Å; Y36-V44 HydrophobicContact CE2-CG2 4Å; Y36-V44 HydrophobicContact CG-CB 4.4Å; Y36-V44 PolarHBondContact N-O 3.27Å; Y36-V44 PolarHBondContact O-N 3.48Å; Y36-V44 WeakPolarHBondContact OH-CG1 3.45Å; D38-V44 HydrophobicContact CB-CG2 3.69Å; F42-V44 PolarHBondContact O-N 3.09Å; V44-K49 WeakPolarHBondContact CA-O 3.46Å; V44-R50 HydrophobicContact CG2-CG 4.03Å
45T83.3Confident75.5Confident13 Ų1370.9 Ų70.98%0.0838%0.379CS..EExtended strand (participates in β ladder)trans-77.9162.3173.435.90000111.9Q34 F35 N47 G48 K49 Y51Q34-T45 CarbonylContact O-C 3.6Å; F35-T45 HydrophobicContact CD1-CG2 3.51Å; F35-T45 HydrophobicContact CE1-CG2 3.15Å; F35-T45 HydrophobicContact CZ-CG2 3.98Å; T45-N47 VanDerWaalsContact CB-OD1 3.24Å; T45-N47 WeakPolarHBondContact CB-OD1 3.46Å; T45-N47 PolarHBondContact O-N 3.3Å; T45-N47 PolarHBondContact OG1-OD1 3.48Å; T45-G48 PolarHBondContact O-N 2.81Å; T45-K49 PolarHBondContact N-O 2.79Å; T45-K49 VanDerWaalsContact N-O 3.07Å; T45-K49 WeakPolarHBondContact OG1-CB 3.44Å; T45-K49 PolarHBondContact OG1-N 2.81Å; T45-K49 PolarHBondContact OG1-O 3.29Å; T45-Y51 HydrophobicContact CG2-CD2 4.41Å; T45-Y51 HydrophobicContact CG2-CE2 3.75Å
46S74.2Confident73.8Confident107 Ų10770.2 Ų70.275%0.74838%0.383SS*.THydrogen-bonded Turntrans-54.9-18171.358.30000115.3Q34Q34-S46 PolarHBondContact O-N 3.06Å
47N78.2Confident71.7Confident120 Ų12066.2 Ų66.264%0.64237%0.374SS*.THydrogen-bonded Turntrans-94.78.7174.468.47.7000114T45 K49T45-N47 VanDerWaalsContact CB-OD1 3.24Å; T45-N47 WeakPolarHBondContact CB-OD1 3.46Å; T45-N47 PolarHBondContact O-N 3.3Å; T45-N47 PolarHBondContact OG1-OD1 3.48Å; N47-K49 VanDerWaalsContact C-N 3.31Å; N47-K49 PolarHBondContact O-N 2.99Å; N47-K49 WeakPolarHBondContact OD1-CB 3.42Å; N47-K49 PolarHBondContact OD1-N 3.31Å
48G74.6Confident69.9Low47 Ų4768 Ų6849%0.48539%0.389SS..SBendtrans80.41.6176.800000115.7T45T45-G48 PolarHBondContact O-N 2.81Å
49K75.5Confident68.2Low99 Ų9975.9 Ų75.943%0.4343%0.426SS..  trans-75.1133.7177.4-170.6170.3170.4-163.40110.6V44 T45 N47 Y51V44-K49 WeakPolarHBondContact CA-O 3.46Å; T45-K49 PolarHBondContact N-O 2.79Å; T45-K49 VanDerWaalsContact N-O 3.07Å; T45-K49 WeakPolarHBondContact OG1-CB 3.44Å; T45-K49 PolarHBondContact OG1-N 2.81Å; T45-K49 PolarHBondContact OG1-O 3.29Å; N47-K49 VanDerWaalsContact C-N 3.31Å; N47-K49 PolarHBondContact O-N 2.99Å; N47-K49 WeakPolarHBondContact OD1-CB 3.42Å; N47-K49 PolarHBondContact OD1-N 3.31Å; K49-Y51 HydrophobicContact CB-CE2 4.22Å; K49-Y51 HydrophobicContact CD-CE1 4.35Å; K49-Y51 HydrophobicContact CD-CE2 4.23Å; K49-Y51 VanDerWaalsContact CD-OH 3.25Å; K49-Y51 WeakPolarHBondContact CD-OH 3.39Å; K49-Y51 VanDerWaalsContact CE-OH 3.28Å; K49-Y51 WeakPolarHBondContact CE-OH 3.24Å; K49-Y51 HydrophobicContact CG-CE2 3.97Å; K49-Y51 PolarHBondContact NZ-OH 3.01Å; K49-Y51 VanDerWaalsContact NZ-OH 3.14Å
50R80.3Confident66.4Low144 Ų14473.1 Ų73.154%0.54344%0.435SS..EExtended strand (participates in β ladder)trans-103.4131.4-176.8-53.6-169.1-175.8179.50.5110.4D38 F42 V44D38-R50 IonicContact OD2-CZ 2.87Å; D38-R50 IonicContact OD2-NE 3.6Å; D38-R50 IonicContact OD2-NH1 3.08Å; F42-R50 HydrophobicContact CB-CB 4.05Å; F42-R50 HydrophobicContact CD1-CB 4.24Å; F42-R50 HydrophobicContact CG-CB 4.3Å; V44-R50 HydrophobicContact CG2-CG 4.03Å
51Y75.3Confident64.9Low42 Ų4276.8 Ų76.817%0.16545%0.445CS..EExtended strand (participates in β ladder)trans-117.9125.5175.7-61-86.8000109.1L15 F42 L43 T45 K49 L53L15-Y51 HydrophobicContact CB-CE1 4.42Å; L15-Y51 HydrophobicContact CD2-CD1 3.48Å; L15-Y51 VanDerWaalsContact CD2-CD1 3.48Å; L15-Y51 HydrophobicContact CD2-CD2 4.39Å; L15-Y51 HydrophobicContact CD2-CE1 3.49Å; L15-Y51 VanDerWaalsContact CD2-CE1 3.49Å; L15-Y51 HydrophobicContact CD2-CE2 4.4Å; L15-Y51 HydrophobicContact CD2-CG 3.94Å; F42-Y51 WeakPolarHBondContact CA-O 3.33Å; L43-Y51 PolarHBondContact N-O 3.35Å; L43-Y51 PolarHBondContact O-N 3.31Å; T45-Y51 HydrophobicContact CG2-CD2 4.41Å; T45-Y51 HydrophobicContact CG2-CE2 3.75Å; K49-Y51 HydrophobicContact CB-CE2 4.22Å; K49-Y51 HydrophobicContact CD-CE1 4.35Å; K49-Y51 HydrophobicContact CD-CE2 4.23Å; K49-Y51 VanDerWaalsContact CD-OH 3.25Å; K49-Y51 WeakPolarHBondContact CD-OH 3.39Å; K49-Y51 VanDerWaalsContact CE-OH 3.28Å; K49-Y51 WeakPolarHBondContact CE-OH 3.24Å; K49-Y51 HydrophobicContact CG-CE2 3.97Å; K49-Y51 PolarHBondContact NZ-OH 3.01Å; K49-Y51 VanDerWaalsContact NZ-OH 3.14Å; Y51-L53 PolarHBondContact O-N 3.35Å
52P71.8Confident63.4Low91 Ų9185.4 Ų85.459%0.59148%0.48SS*.EExtended strand (participates in β ladder)trans-63.6128.217426.9-32000108.5F42F42-P52 HydrophobicContact CD1-CB 4.21Å; F42-P52 HydrophobicContact CE1-CB 4.02Å
53L66.3Low61.4Low22 Ų2285.8 Ų85.812%0.11549%0.489CS..  trans-72.9134.2168.9-69.3173000108.1L26 I37 L43 Y51 S55 G56L26-L53 HydrophobicContact CD1-CD2 3.58Å; I37-L53 HydrophobicContact CD1-CD1 3.97Å; I37-L53 HydrophobicContact CG1-CD1 4.27Å; L43-L53 HydrophobicContact CB-CD2 3.92Å; L43-L53 HydrophobicContact CB-CG 4.27Å; Y51-L53 PolarHBondContact O-N 3.35Å; L53-S55 PolarHBondContact O-N 3.29Å; L53-G56 PolarHBondContact O-N 2.92Å
54S54.1Low59.4Low107 Ų10791.2 Ų91.275%0.74852%0.518SS*.THydrogen-bonded Turntrans-61.5-13.5172.6-490000112.8
55S51.4Low57.4Low96 Ų9697.7 Ų97.767%0.67155%0.548SS*.THydrogen-bonded Turntrans-101.84.7173.151.60000113.8L53L53-S55 PolarHBondContact O-N 3.29Å
56G44.3Very low55.4Low26 Ų26103.7 Ų103.727%0.26858%0.579SS.*SBendtrans-77146.8178.800000111.8L53L53-G56 PolarHBondContact O-N 2.92Å
57P38.7Very low53.8Low48 Ų48104.7 Ų104.731%0.31258%0.576SS.*PPolyproline II helixtrans-64.8138.2-177.8-519.1000109.7E59 R61P57-E59 PolarHBondContact O-N 3.24Å; P57-R61 HydrophobicContact CB-CB 3.75Å
58P46Very low51.9Low101 Ų101106.1 Ų106.166%0.65658%0.579SS**PPolyproline II helixtrans-54.7137.1169.723.7-31.4000108.6G60P58-G60 PolarHBondContact O-N 3.2Å
59E45.5Very low50.2Low187 Ų187109.1 Ų109.187%0.87458%0.583SS**THydrogen-bonded Turntrans-32.9109.4-177-76.6166.2129.800112.2P57P57-E59 PolarHBondContact O-N 3.24Å
60G42.1Very low48.2Very low83 Ų83108.3 Ų108.386%0.85659%0.59SS**THydrogen-bonded Turntrans126.13174.800000117.9P58P58-G60 PolarHBondContact O-N 3.2Å
61R41.6Very low46Very low196 Ų196109.9 Ų109.974%0.7461%0.606SS**SBendtrans-103.6143.4170.1-68.2-174.9-179.2-171.50.5111.8P57P57-R61 HydrophobicContact CB-CB 3.75Å
62K44Very low44.1Very low191 Ų191115 Ų11583%0.8363%0.634SS**PPolyproline II helixtrans-48.8143.4-177.7-74177.3178.1176.80111.2
63P37.5Very low42.3Very low78 Ų78115.4 Ų115.451%0.50664%0.639SS.*PPolyproline II helixtrans-56.8143.3179.624.9-34.9000111.8Q39 Q65Q39-P63 WeakPolarHBondContact O-CB 3.35Å; P63-Q65 PolarHBondContact O-N 3.05Å
64L41.5Very low40.8Very low116 Ų116121.4 Ų121.461%0.60767%0.671SS**  trans-51.6111.8167.3-91.7141.4000107.6L66L64-L66 PolarHBondContact O-N 3.06Å; L64-L66 VanDerWaalsContact O-N 3.11Å
65Q40Very low39.9Very low137 Ų137121.1 Ų121.164%0.6467%0.669SS**  trans-63.6117.4174.8-69.2-1731000107.6P63 N67 Q68P63-Q65 PolarHBondContact O-N 3.05Å; Q65-N67 PolarHBondContact O-N 3.46Å; Q65-Q68 PolarHBondContact O-N 3.12Å
66L40.2Very low38.9Very low139 Ų139123.5 Ų123.573%0.72868%0.675SS**G310 helixtrans-55.5-14.7-180-162.366000112.9L64 Q68 L69L64-L66 PolarHBondContact O-N 3.06Å; L64-L66 VanDerWaalsContact O-N 3.11Å; L66-Q68 PolarHBondContact O-N 3.08Å; L66-L69 PolarHBondContact O-N 3.03Å
67N40.4Very low38.4Very low129 Ų129130.4 Ų130.469%0.6971%0.705SS**G310 helixtrans-71.1-5.1179.2-58.7-2.7000114.3Q65Q65-N67 PolarHBondContact O-N 3.46Å
68Q39.4Very low38.1Very low150 Ų150135.4 Ų135.470%0.70173%0.73SS**G310 helixtrans-98.5-4.6175.5-68.1-170.4-13.400114.3Q65 L66Q65-Q68 PolarHBondContact O-N 3.12Å; L66-Q68 PolarHBondContact O-N 3.08Å
69L38.3Very low37.4Very low109 Ų109139.3 Ų139.357%0.57174%0.739SS**G310 helixtrans-85.8-5.6176.6-93.594000114.5L66 M71L66-L69 PolarHBondContact O-N 3.03Å; L69-M71 VanDerWaalsContact C-N 3.26Å; L69-M71 PolarHBondContact O-N 3.05Å
70S33.6Very low36.9Very low83 Ų83140 Ų14058%0.5874%0.742SS**G310 helixtrans-76.4-5.818054.40000114.5
71M33.8Very low36.5Very low177 Ų177145.4 Ų145.487%0.87274%0.742SS**G310 helixtrans-98.17.7-177.3-70.5-164.9174.800115.3L69L69-M71 VanDerWaalsContact C-N 3.26Å; L69-M71 PolarHBondContact O-N 3.05Å
72I36.9Very low36Very low149 Ų149140.4 Ų140.476%0.76474%0.737SS**SBendtrans-113.64.3-179.8-54.6173.8000112
73S34Very low35.6Very low99 Ų99139.1 Ų139.169%0.69274%0.737SS**SBendtrans-88.5-9.8-178.4-170.10000115.3
74D34.6Very low35.1Very low148 Ų148139.8 Ų139.879%0.79174%0.744SS**SBendtrans-115.413.8-166-64.3-26000115.1
75S33.7Very low34.6Very low101 Ų101140.1 Ų140.171%0.70675%0.747SS**SBendtrans-118.581.9176.7179.30000109.6
76N31.4Very low34.3Very low146 Ų146141 Ų14178%0.78175%0.75SS**  trans161.179.5153.7-82.4-22.8000109.4
77N33.2Very low33.8Very low171 Ų171140.7 Ų140.791%0.91475%0.75SS**  trans-145.869.6160.3-85.6-28.7000108.7
78N32Very low33.3Very low154 Ų154139.6 Ų139.682%0.82475%0.752SS**  trans-92.7134.4155.3-74.2-23.6000106.9
79H31.4Very low32.8Very low183 Ų183138.7 Ų138.785%0.84776%0.759SS**  trans74.592.8179.5-67.1-81.9000116.3
80E35.9Very low32.5Very low202 Ų202140.2 Ų140.294%0.94477%0.767SS**  -169148.9106.8-103.5176.5166.700112.8
81K33.1Very low32.2Very low195 Ų195146.1 Ų146.185%0.84878%0.782SS**  trans-65.3141-168.1-119165.8171.4175.60113.5
82S31.1Very low32.1Very low92 Ų92144.1 Ų144.164%0.64377%0.773SS**  trans57.1118.9137.568.80000119.6
83I35.7Very low31.7Very low163 Ų163143.5 Ų143.584%0.83677%0.772SS**  175.7126.5104.2-82.7153.5000109.6
84S27.7Very low31.5Very low92 Ų92145.5 Ų145.564%0.64378%0.775SS**  trans-43.6136.3168.2-154.20000115.6
85N31.3Very low31.3Very low124 Ų124145.6 Ų145.666%0.66377%0.77SS**  156.8115.8103.1-98.9-21.4000113.2
86Q33.2Very low31.2Very low154 Ų154145.4 Ų145.472%0.7277%0.769SS**  61129.3124-69.3-16714.300122.7
87N28.9Very low31.3Very low134 Ų134145.8 Ų145.872%0.71777%0.771SS**  trans93.987141.4-59.7-16000119.2
88S30.5Very low31.3Very low105 Ų105145 Ų14573%0.73476%0.762SS**  -176.5131115.823.20000111.9I90S88-I90 PolarHBondContact O-N 3.18Å
89P29.1Very low31.3Very low131 Ų131144.8 Ų144.885%0.85176%0.76SS**  trans-89.4101.3176.633.5-26.9000109.6K91P89-K91 PolarHBondContact O-N 3.27Å
90I31Very low31.3Very low142 Ų142144 Ų14473%0.72876%0.761SS**  trans-76110.6166.9-63.2175.7000107.4S88 I92S88-I90 PolarHBondContact O-N 3.18Å; I90-I92 HydrophobicContact CG2-CG1 4.17Å; I90-I92 PolarHBondContact O-N 3.22Å
91K27.2Very low31.1Very low206 Ų206141.2 Ų141.290%0.89675%0.747SS**  trans-56.6102168.3-74.7177175.41780109.4P89P89-K91 PolarHBondContact O-N 3.27Å
92I32Very low31.1Very low136 Ų136136.8 Ų136.870%0.69773%0.733SS**  trans-101.8108.4163.3-59178.6000106.6I90 N94I90-I92 HydrophobicContact CG2-CG1 4.17Å; I90-I92 PolarHBondContact O-N 3.22Å; I92-N94 PolarHBondContact O-N 3.13Å
93N28.8Very low31.3Very low136 Ų136138.3 Ų138.373%0.72773%0.734SS**  trans-67.2114179.5-156.211.2000108.7Q95N93-Q95 PolarHBondContact O-N 3.49Å
94N28.8Very low31.3Very low141 Ų141137.6 Ų137.675%0.75473%0.727SS**  trans-70.791.8176.2-75.6-26.5000110I92I92-N94 PolarHBondContact O-N 3.13Å
95Q32.2Very low31.8Very low149 Ų149136.8 Ų136.870%0.69672%0.718SS**  trans-108.212168.7-92.6-175.7-1700113.6N93 N97N93-Q95 PolarHBondContact O-N 3.49Å; Q95-N97 VanDerWaalsContact C-N 3.26Å; Q95-N97 PolarHBondContact O-N 3.32Å
96S31.4Very low32.2Very low98 Ų98136 Ų13669%0.68571%0.713SS**THydrogen-bonded Turntrans-78.54.3-177.538.80000115.6
97N32.9Very low32.2Very low154 Ų154136.1 Ų136.182%0.82472%0.716SS**THydrogen-bonded Turntrans-104.27.6-179.8-75.5-11000115.5Q95Q95-N97 VanDerWaalsContact C-N 3.26Å; Q95-N97 PolarHBondContact O-N 3.32Å
98Q32.8Very low32.6Very low155 Ų155137.2 Ų137.272%0.72472%0.717SS**SBendtrans-103.5-7177.4-71.3-166.44.500115.2
99L31.7Very low32.9Very low148 Ų148139.2 Ų139.278%0.77572%0.718SS**THydrogen-bonded Turntrans-89.4-6.8-174.7-116.8127.3000114.7
100L31Very low33.4Very low166 Ų166140.3 Ų140.387%0.86972%0.716SS**THydrogen-bonded Turntrans-91.1-11177.5-135.392.4000113.7
101H32Very low33.6Very low144 Ų144140.2 Ų140.267%0.66772%0.716SS**SBendtrans-98.4-8.3-176.1-128.4-57.9000114.5
102N34.6Very low34Very low103 Ų103136.7 Ų136.755%0.55171%0.707SS**SBendtrans-95.3-6.8-175.8-79.3-7.2000114.9T105 I106N102-T105 PolarHBondContact O-OG1 3.15Å; N102-I106 VanDerWaalsContact O-CD1 3.27Å; N102-I106 WeakPolarHBondContact O-CD1 3.08Å; N102-I106 WeakPolarHBondContact O-CG1 3.49Å
103N33.5Very low34.1Very low123 Ų123135.6 Ų135.666%0.65871%0.708SS**SBendtrans-92.1-8.2178.9-81.5-27.8000113.9
104Q37.2Very low34.4Very low148 Ų148137.6 Ų137.669%0.69271%0.707SS**SBendtrans-90.8-23.3173.5-76.9178.5-27.800112.8
105T38.2Very low34.7Very low75 Ų75136.8 Ų136.846%0.4670%0.701SS.*SBendtrans-80.5-20.1177200000113.8N102N102-T105 PolarHBondContact O-OG1 3.15Å
106I38.2Very low34.6Very low109 Ų109136.8 Ų136.856%0.55971%0.706SS**THydrogen-bonded Turntrans-83-22.2-175.6-64.9170.8000112.6N102N102-I106 VanDerWaalsContact O-CD1 3.27Å; N102-I106 WeakPolarHBondContact O-CD1 3.08Å; N102-I106 WeakPolarHBondContact O-CG1 3.49Å
107M34.4Very low34.7Very low156 Ų156135.4 Ų135.477%0.76870%0.7SS**THydrogen-bonded Turntrans-86.3-13.1175.5-81.3-66-143.900114.1
108Q36.3Very low35Very low157 Ų157133 Ų13373%0.73469%0.692SS**THydrogen-bonded Turntrans-91.5-13.5173.3-95.8172-7.100113.7
109L36.5Very low35.3Very low147 Ų147132.3 Ų132.377%0.7769%0.693SS**SBendtrans-85.3-6.5-179.9-113.579.5000114.5
110L40.3Very low35.5Very low153 Ų153133.1 Ų133.180%0.80170%0.697SS**SBendtrans-104.2-3.4-173.8-12981.4000114.8
111L34.8Very low35.6Very low140 Ų140129.4 Ų129.473%0.73369%0.685SS**SBendtrans-129.678.2173.6-75.899000108.8
112L36Very low35.9Very low133 Ų133130.1 Ų130.170%0.69669%0.692SS**  trans-173.8111162-12367.8000111.3Y114L112-Y114 HydrophobicContact CD2-CG 4.4Å; L112-Y114 VanDerWaalsContact CG-CB 3.45Å
113P34.9Very low35.9Very low113 Ų113134 Ų13473%0.73470%0.704SS**  trans-94.575.1144.434.3-21.4000106.3
114Y33.6Very low35.9Very low177 Ų177136.3 Ų136.369%0.69471%0.711SS**  trans-121.988.4-180-166.2-98000109.9L112L112-Y114 HydrophobicContact CD2-CG 4.4Å; L112-Y114 VanDerWaalsContact CG-CB 3.45Å
115I36.2Very low35.8Very low125 Ų125136.9 Ų136.964%0.64172%0.718SS**  trans36.291.7139.3-44.6175.4000113.4A117I115-A117 HydrophobicContact CG2-CB 3.66Å; I115-A117 PolarHBondContact O-N 3.07Å
116D30.1Very low35.4Very low148 Ų148143.9 Ų143.979%0.79174%0.736SS**  trans-70.970.3158.7-128.1-23.8000108.5T118D116-T118 VanDerWaalsContact C-N 3.27Å; D116-T118 PolarHBondContact OD1-OG1 3.5Å
117A34.1Very low35.2Very low69 Ų69144.7 Ų144.757%0.5774%0.741SS**  trans-101.755.6159.400000106.9I115 N119I115-A117 HydrophobicContact CG2-CB 3.66Å; I115-A117 PolarHBondContact O-N 3.07Å; A117-N119 VanDerWaalsContact C-N 3.28Å; A117-N119 PolarHBondContact O-N 3.33Å
118T39.1Very low35.3Very low105 Ų105144 Ų14464%0.64474%0.741SS**  trans-69.795.4167.537.70000107.9D116D116-T118 VanDerWaalsContact C-N 3.27Å; D116-T118 PolarHBondContact OD1-OG1 3.5Å
119N37.5Very low35.4Very low139 Ų139144.1 Ų144.174%0.74374%0.741SS**  trans72.868.9150.3-54-44.6000115.2A117 S121A117-N119 VanDerWaalsContact C-N 3.28Å; A117-N119 PolarHBondContact O-N 3.33Å; N119-S121 PolarHBondContact O-N 3.32Å
120L37.1Very low35.3Very low166 Ų166142.7 Ų142.787%0.86973%0.734SS**  trans-39.2112.5135.9-111.190.1000107.3I122L120-I122 PolarHBondContact O-N 2.99Å
121S31.9Very low35Very low88 Ų88143.8 Ų143.862%0.61574%0.735SS**  trans-55.6119.8-178.672.90000108.5N119 K123N119-S121 PolarHBondContact O-N 3.32Å; S121-K123 PolarHBondContact O-N 3.29Å
122I38.9Very low35Very low158 Ų158141.7 Ų141.781%0.8173%0.732SS**  trans-62.175.4153.8-59.5170.2000105.8L120 Q124L120-I122 PolarHBondContact O-N 2.99Å; I122-Q124 HydrophobicContact CG2-CB 4.28Å
123K35.8Very low35Very low186 Ų186144.3 Ų144.381%0.80974%0.743SS**  trans-93.548.8153.1-86.7-175.4174.2179.10107.4S121 L125S121-K123 PolarHBondContact O-N 3.29Å; K123-L125 PolarHBondContact O-N 3.08Å
124Q33.7Very low35.3Very low170 Ų170144.8 Ų144.879%0.79474%0.74SS**  trans-77.680.4145.8-87.2-159.8-13.900106.8I122I122-Q124 HydrophobicContact CG2-CB 4.28Å
125L33.6Very low35.6Very low161 Ų161144.4 Ų144.484%0.84375%0.748SS**  trans-167.7115.8154-105.3133.3000107.2K123K123-L125 PolarHBondContact O-N 3.08Å
126R30.8Very low35.6Very low221 Ų221144.2 Ų144.283%0.83475%0.747SS**  trans96.4107.2151-144.4167.4-166.81713.3115.6
127N33.4Very low36.2Very low126 Ų126143.1 Ų143.167%0.67474%0.737SS**  trans99.4117.3146.3-67.5-3.8000118.2
128N37.6Very low36.7Very low141 Ų141144.8 Ų144.875%0.75475%0.745SS**  trans88.794.3145.8-55.7-13.1000114.8
129H36.8Very low37.2Very low161 Ų161145.5 Ų145.575%0.74575%0.745SS**  93.811088-131.751.2000109.2
130N35.6Very low37.7Very low116 Ų116143.3 Ų143.362%0.6273%0.733SS**  trans81.4126.9149.7-54.9-15.3000118.8
131H34Very low38.5Very low176 Ų176140.1 Ų140.182%0.81572%0.72SS**  trans63.8100.6150.1-68.4-62.5000118
132S33.8Very low39.5Very low97 Ų97141.5 Ų141.568%0.67872%0.72SS**  156.1128.2101.353.80000109.7N134S132-N134 VanDerWaalsContact C-N 3.34Å; S132-N134 PolarHBondContact O-N 3.13Å
133M37.4Very low40.3Very low188 Ų188144.6 Ų144.693%0.92672%0.724SS**  trans-61.395.5163.5-75.8-88.4-150.700108
134N39.9Very low41.5Very low123 Ų123141.1 Ų141.166%0.65872%0.718SS**  trans-106.581.2167.3-114.9-17000108.9S132 I136S132-N134 VanDerWaalsContact C-N 3.34Å; S132-N134 PolarHBondContact O-N 3.13Å; N134-I136 PolarHBondContact O-N 3.27Å; N134-I136 VanDerWaalsContact O-N 3.08Å
135L39.6Very low43.4Very low168 Ų168136 Ų13688%0.8870%0.695SS**  trans-77.353.1166.4-162.488.1000109.2
136I36.4Very low45.9Very low121 Ų121132.2 Ų132.262%0.62168%0.676SS**  trans-151.2102.3-177.5-52.9178.6000109.3N134N134-I136 PolarHBondContact O-N 3.27Å; N134-I136 VanDerWaalsContact O-N 3.08Å
137H42.5Very low48.7Very low125 Ų125130.6 Ų130.658%0.57967%0.67SS**  trans179.462.1135.9-108.4-68.7000110.9N139 D140H137-N139 PolarHBondContact O-N 2.94Å; H137-D140 IonicContact CE1-OD1 3.73Å; H137-D140 PolarHBondContact CE1-OD1 3.37Å; H137-D140 IonicContact CE1-OD2 3.77Å; H137-D140 PolarHBondContact CE1-OD2 3.01Å; H137-D140 VanDerWaalsContact CE1-OD2 3.3Å; H137-D140 IonicContact CG-OD2 3.1Å; H137-D140 IonicContact ND1-OD1 3.3Å; H137-D140 PolarHBondContact ND1-OD1 3.06Å; H137-D140 IonicContact ND1-OD2 3.94Å; H137-D140 PolarHBondContact ND1-OD2 3.37Å; H137-D140 VanDerWaalsContact ND1-OD2 3.08Å; H137-D140 IonicContact NE2-OD2 3.63Å
138S45.4Very low51.5Low105 Ų105130.6 Ų130.673%0.73467%0.67SS**SBendtrans-77.80.7168.6-39.90000113
139N49.4Very low54Low120 Ų120128.1 Ų128.164%0.64266%0.656SS**SBendtrans-101.8-12.9-173.3-75.3-7.7000114.3H137 L142H137-N139 PolarHBondContact O-N 2.94Å; N139-L142 PolarHBondContact O-N 2.98Å
140D48.2Very low56.6Low92 Ų92123.6 Ų123.649%0.49264%0.636SS.*THydrogen-bonded Turntrans-84-14.8-176.5-71.94.3000113H137 L142 Y143H137-D140 IonicContact CE1-OD1 3.73Å; H137-D140 PolarHBondContact CE1-OD1 3.37Å; H137-D140 IonicContact CE1-OD2 3.77Å; H137-D140 PolarHBondContact CE1-OD2 3.01Å; H137-D140 VanDerWaalsContact CE1-OD2 3.3Å; H137-D140 IonicContact CG-OD2 3.1Å; H137-D140 IonicContact ND1-OD1 3.3Å; H137-D140 PolarHBondContact ND1-OD1 3.06Å; H137-D140 IonicContact ND1-OD2 3.94Å; H137-D140 PolarHBondContact ND1-OD2 3.37Å; H137-D140 VanDerWaalsContact ND1-OD2 3.08Å; H137-D140 IonicContact NE2-OD2 3.63Å; D140-L142 VanDerWaalsContact C-N 3.26Å; D140-L142 PolarHBondContact O-N 3.49Å; D140-Y143 PolarHBondContact O-N 3.37Å
141T53.4Low59.3Low99 Ų99122.9 Ų122.961%0.60763%0.632SS**THydrogen-bonded Turntrans-76-13.6173.253.50000113.1T144T141-T144 PolarHBondContact O-OG1 3.05Å
142L52.6Low62.2Low117 Ų117120.8 Ų120.861%0.61362%0.621SS**THydrogen-bonded Turntrans-81.3-24.8174.1-82.6163.1000112.3N139 D140 I145N139-L142 PolarHBondContact O-N 2.98Å; D140-L142 VanDerWaalsContact C-N 3.26Å; D140-L142 PolarHBondContact O-N 3.49Å; L142-I145 HydrophobicContact CD2-CD1 3.88Å
143Y55.3Low65.1Low224 Ų224119.7 Ų119.788%0.87861%0.61SS**THydrogen-bonded Turntrans-86.4-13.9-178.1-130-86.6000113.9D140 I145D140-Y143 PolarHBondContact O-N 3.37Å; Y143-I145 VanDerWaalsContact C-N 3.35Å
144T62.4Low67.9Low113 Ų113115.1 Ų115.169%0.69359%0.589SS**THydrogen-bonded Turntrans-91.72.9175.8520000113.3T141 N146T141-T144 PolarHBondContact O-OG1 3.05Å; T144-N146 PolarHBondContact O-N 3.39Å; T144-N146 VanDerWaalsContact O-N 3.07Å
145I74.1Confident70.5Confident62 Ų62113 Ų11332%0.31858%0.577SS.*  trans-67.9110.3175.9-65.8179.4000108.9L142 Y143 W147 I150L142-I145 HydrophobicContact CD2-CD1 3.88Å; Y143-I145 VanDerWaalsContact C-N 3.35Å; I145-W147 PolarHBondContact O-N 2.99Å; I145-I150 HydrophobicContact CG2-CD1 3.15Å; I145-I150 HydrophobicContact CG2-CG1 3.98Å
146N86.2Confident73.2Confident81 Ų81108.6 Ų108.643%0.43355%0.553SS.*  trans-7194.4174.4-170.9-17.4000109.4T144 N148 I149 I150T144-N146 PolarHBondContact O-N 3.39Å; T144-N146 VanDerWaalsContact O-N 3.07Å; N146-N148 PolarHBondContact O-N 3.19Å; N146-N148 VanDerWaalsContact O-N 3.09Å; N146-N148 WeakPolarHBondContact OD1-CB 3.34Å; N146-N148 PolarHBondContact OD1-N 2.91Å; N146-N148 VanDerWaalsContact OD1-N 3.16Å; N146-I149 HydrophobicContact CB-CB 4.23Å; N146-I149 HydrophobicContact CB-CD1 3.77Å; N146-I149 HydrophobicContact CB-CG1 3.9Å; N146-I149 WeakPolarHBondContact ND2-CD1 3.35Å; N146-I149 WeakPolarHBondContact O-CB 3.38Å; N146-I149 PolarHBondContact O-N 3.47Å; N146-I150 PolarHBondContact O-N 2.98Å
147W88.9Confident76Confident188 Ų188106 Ų10671%0.71255%0.545SS*.Hα-helixtrans-52.5-29.7177.7-76.4103.6000113.3I145 I150 L151I145-W147 PolarHBondContact O-N 2.99Å; W147-I150 PolarHBondContact O-N 3.15Å; W147-L151 VanDerWaalsContact O-CB 3.25Å; W147-L151 WeakPolarHBondContact O-CB 3.3Å; W147-L151 PolarHBondContact O-N 3.19Å
148N91.7Very high78.6Confident126 Ų126103.5 Ų103.567%0.67454%0.539SS*.Hα-helixtrans-68.1-37175.9-62.8-29.5000111.9N146 F152N146-N148 PolarHBondContact O-N 3.19Å; N146-N148 VanDerWaalsContact O-N 3.09Å; N146-N148 WeakPolarHBondContact OD1-CB 3.34Å; N146-N148 PolarHBondContact OD1-N 2.91Å; N146-N148 VanDerWaalsContact OD1-N 3.16Å; N148-F152 VanDerWaalsContact O-CB 3.27Å; N148-F152 WeakPolarHBondContact O-CB 3.43Å; N148-F152 PolarHBondContact O-N 3.46Å
149I90.3Very high81Confident89 Ų89103.1 Ų103.146%0.45653%0.528SS..Hα-helixtrans-67-47.3175.5-63.4177.4000109.3N146 L151 F152 T153N146-I149 HydrophobicContact CB-CB 4.23Å; N146-I149 HydrophobicContact CB-CD1 3.77Å; N146-I149 HydrophobicContact CB-CG1 3.9Å; N146-I149 WeakPolarHBondContact ND2-CD1 3.35Å; N146-I149 WeakPolarHBondContact O-CB 3.38Å; N146-I149 PolarHBondContact O-N 3.47Å; I149-L151 VanDerWaalsContact C-N 3.35Å; I149-L151 PolarHBondContact O-N 3.13Å; I149-F152 PolarHBondContact O-N 3.49Å; I149-T153 WeakPolarHBondContact O-CB 3.42Å; I149-T153 PolarHBondContact O-N 3.13Å; I149-T153 PolarHBondContact O-OG1 2.92Å
150I91.4Very high83.2Confident65 Ų65100.5 Ų100.533%0.33352%0.516SS..Hα-helixtrans-59.2-47177.5-67-169.3000111.1I145 N146 W147 F152 T153 I154I145-I150 HydrophobicContact CG2-CD1 3.15Å; I145-I150 HydrophobicContact CG2-CG1 3.98Å; N146-I150 PolarHBondContact O-N 2.98Å; W147-I150 PolarHBondContact O-N 3.15Å; I150-F152 VanDerWaalsContact C-N 3.35Å; I150-F152 PolarHBondContact O-N 3.42Å; I150-T153 PolarHBondContact O-N 3.17Å; I150-I154 HydrophobicContact CG2-CD1 3.74Å; I150-I154 HydrophobicContact CG2-CG1 4.38Å; I150-I154 VanDerWaalsContact O-CG1 3.3Å; I150-I154 WeakPolarHBondContact O-CG1 3.44Å; I150-I154 PolarHBondContact O-N 2.93Å
151L93.4Very high85.4Confident101 Ų101100.8 Ų100.853%0.52952%0.517SS..Hα-helixtrans-60-45.3178.4-177.367000111.3W147 I149 T153 I154 I155W147-L151 VanDerWaalsContact O-CB 3.25Å; W147-L151 WeakPolarHBondContact O-CB 3.3Å; W147-L151 PolarHBondContact O-N 3.19Å; I149-L151 VanDerWaalsContact C-N 3.35Å; I149-L151 PolarHBondContact O-N 3.13Å; L151-T153 PolarHBondContact O-N 3.01Å; L151-I154 PolarHBondContact O-N 2.87Å; L151-I155 HydrophobicContact CD1-CD1 4.36Å; L151-I155 HydrophobicContact CG-CD1 3.99Å; L151-I155 VanDerWaalsContact O-CG1 3.26Å; L151-I155 WeakPolarHBondContact O-CG1 3.35Å; L151-I155 PolarHBondContact O-N 3.45Å
152F93.7Very high87.5Confident132 Ų13299.8 Ų99.858%0.57951%0.511SS*.Hα-helixtrans-63.1-41.5177-174.6-109.1000112.1N148 I149 I150 I155 I156N148-F152 VanDerWaalsContact O-CB 3.27Å; N148-F152 WeakPolarHBondContact O-CB 3.43Å; N148-F152 PolarHBondContact O-N 3.46Å; I149-F152 PolarHBondContact O-N 3.49Å; I150-F152 VanDerWaalsContact C-N 3.35Å; I150-F152 PolarHBondContact O-N 3.42Å; F152-I155 PolarHBondContact O-N 3.18Å; F152-I156 HydrophobicContact CD1-CD1 3.64Å; F152-I156 HydrophobicContact CD1-CG1 4.5Å; F152-I156 HydrophobicContact CD2-CD1 4.43Å; F152-I156 HydrophobicContact CE1-CD1 3.14Å; F152-I156 HydrophobicContact CE1-CG1 4.28Å; F152-I156 HydrophobicContact CE2-CD1 4.01Å; F152-I156 HydrophobicContact CE2-CG1 4.46Å; F152-I156 HydrophobicContact CG-CD1 4.28Å; F152-I156 HydrophobicContact CZ-CD1 3.37Å; F152-I156 HydrophobicContact CZ-CG1 4.27Å; F152-I156 WeakPolarHBondContact O-CG1 3.33Å; F152-I156 PolarHBondContact O-N 3.06Å
153T94.7Very high89.5Confident74 Ų7497.2 Ų97.245%0.45450%0.502SS..Hα-helixtrans-62.5-41.8174.7-57.80000111.8I149 I150 L151 I156 S157I149-T153 WeakPolarHBondContact O-CB 3.42Å; I149-T153 PolarHBondContact O-N 3.13Å; I149-T153 PolarHBondContact O-OG1 2.92Å; I150-T153 PolarHBondContact O-N 3.17Å; L151-T153 PolarHBondContact O-N 3.01Å; T153-I156 PolarHBondContact O-N 3.35Å; T153-S157 WeakPolarHBondContact O-CB 3.2Å; T153-S157 PolarHBondContact O-N 3.45Å
154I95.4Very high91.4Very high93 Ų9392.3 Ų92.348%0.47749%0.487SS..Hα-helixtrans-64.3-43.4175.6-68168000110.6I150 L151 S157 T158I150-I154 HydrophobicContact CG2-CD1 3.74Å; I150-I154 HydrophobicContact CG2-CG1 4.38Å; I150-I154 VanDerWaalsContact O-CG1 3.3Å; I150-I154 WeakPolarHBondContact O-CG1 3.44Å; I150-I154 PolarHBondContact O-N 2.93Å; L151-I154 PolarHBondContact O-N 2.87Å; I154-S157 PolarHBondContact O-N 3.22Å; I154-T158 HydrophobicContact CG2-CG2 4.45Å; I154-T158 VanDerWaalsContact O-CG2 3.31Å; I154-T158 WeakPolarHBondContact O-CG2 3.15Å; I154-T158 PolarHBondContact O-N 3.12Å; I154-T158 PolarHBondContact O-OG1 2.88Å; I154-T158 VanDerWaalsContact O-OG1 3.04Å
155I95.3Very high93Very high79 Ų7991 Ų9141%0.40548%0.475SS..Hα-helixtrans-62.6-48177.7-68.2165.8000110.8L151 F152 S157 T158 I159L151-I155 HydrophobicContact CD1-CD1 4.36Å; L151-I155 HydrophobicContact CG-CD1 3.99Å; L151-I155 VanDerWaalsContact O-CG1 3.26Å; L151-I155 WeakPolarHBondContact O-CG1 3.35Å; L151-I155 PolarHBondContact O-N 3.45Å; F152-I155 PolarHBondContact O-N 3.18Å; I155-S157 VanDerWaalsContact C-N 3.35Å; I155-S157 PolarHBondContact O-N 2.85Å; I155-T158 PolarHBondContact O-N 3.13Å; I155-T158 PolarHBondContact O-OG1 2.99Å; I155-I159 HydrophobicContact CG2-CD1 3.81Å; I155-I159 VanDerWaalsContact O-CG1 3.29Å; I155-I159 WeakPolarHBondContact O-CG1 3.43Å; I155-I159 PolarHBondContact O-N 3.44Å
156I95.6Very high94Very high74 Ų7492.9 Ų92.938%0.37948%0.484SS..Hα-helixtrans-63.9-42176.9-69.1177.1000111.2F152 T153 T158 I159 T160F152-I156 HydrophobicContact CD1-CD1 3.64Å; F152-I156 HydrophobicContact CD1-CG1 4.5Å; F152-I156 HydrophobicContact CD2-CD1 4.43Å; F152-I156 HydrophobicContact CE1-CD1 3.14Å; F152-I156 HydrophobicContact CE1-CG1 4.28Å; F152-I156 HydrophobicContact CE2-CD1 4.01Å; F152-I156 HydrophobicContact CE2-CG1 4.46Å; F152-I156 HydrophobicContact CG-CD1 4.28Å; F152-I156 HydrophobicContact CZ-CD1 3.37Å; F152-I156 HydrophobicContact CZ-CG1 4.27Å; F152-I156 WeakPolarHBondContact O-CG1 3.33Å; F152-I156 PolarHBondContact O-N 3.06Å; T153-I156 PolarHBondContact O-N 3.35Å; I156-T158 VanDerWaalsContact C-N 3.33Å; I156-T158 PolarHBondContact O-N 2.94Å; I156-I159 PolarHBondContact O-N 3.27Å; I156-T160 HydrophobicContact CG2-CG2 4.07Å; I156-T160 WeakPolarHBondContact O-CB 3.33Å; I156-T160 VanDerWaalsContact O-CG2 3.29Å; I156-T160 WeakPolarHBondContact O-CG2 3.36Å; I156-T160 PolarHBondContact O-N 3.03Å; I156-T160 PolarHBondContact O-OG1 3.28Å
157S96Very high94.4Very high66 Ų6693.5 Ų93.546%0.46249%0.487SS..Hα-helixtrans-60.9-42.4178.7-177.90000111.6T153 I154 I155 T160 L161T153-S157 WeakPolarHBondContact O-CB 3.2Å; T153-S157 PolarHBondContact O-N 3.45Å; I154-S157 PolarHBondContact O-N 3.22Å; I155-S157 VanDerWaalsContact C-N 3.35Å; I155-S157 PolarHBondContact O-N 2.85Å; S157-T160 WeakPolarHBondContact CA-OG1 3.48Å; S157-T160 PolarHBondContact O-OG1 3Å; S157-L161 WeakPolarHBondContact O-CB 3.25Å; S157-L161 PolarHBondContact O-N 2.83Å
158T96.6Very high94.7Very high74 Ų7489.4 Ų89.445%0.45448%0.478SS..Hα-helixtrans-67.2-43.2176.553.40000112.4I154 I155 I156 L161 V162I154-T158 HydrophobicContact CG2-CG2 4.45Å; I154-T158 VanDerWaalsContact O-CG2 3.31Å; I154-T158 WeakPolarHBondContact O-CG2 3.15Å; I154-T158 PolarHBondContact O-N 3.12Å; I154-T158 PolarHBondContact O-OG1 2.88Å; I154-T158 VanDerWaalsContact O-OG1 3.04Å; I155-T158 PolarHBondContact O-N 3.13Å; I155-T158 PolarHBondContact O-OG1 2.99Å; I156-T158 VanDerWaalsContact C-N 3.33Å; I156-T158 PolarHBondContact O-N 2.94Å; T158-L161 PolarHBondContact O-N 2.81Å; T158-V162 VanDerWaalsContact O-CG2 3.29Å; T158-V162 WeakPolarHBondContact O-CG2 3.33Å; T158-V162 PolarHBondContact O-N 3.11Å
159I95.7Very high94.9Very high97 Ų9788.6 Ų88.650%0.49747%0.473SS..Hα-helixtrans-62.4-47.9176.7-66.7166.7000110.9I155 I156 L161 V162 C163I155-I159 HydrophobicContact CG2-CD1 3.81Å; I155-I159 VanDerWaalsContact O-CG1 3.29Å; I155-I159 WeakPolarHBondContact O-CG1 3.43Å; I155-I159 PolarHBondContact O-N 3.44Å; I156-I159 PolarHBondContact O-N 3.27Å; I159-L161 VanDerWaalsContact C-N 3.33Å; I159-L161 PolarHBondContact O-N 2.94Å; I159-V162 PolarHBondContact O-N 2.96Å; I159-C163 PolarHBondContact O-N 3.41Å; I159-C163 PolarHBondContact O-SG 2.78Å; I159-C163 VanDerWaalsContact O-SG 3.36Å
160T95.9Very high95Very high64 Ų6489.3 Ų89.339%0.39347%0.473SS..Hα-helixtrans-62.3-40.217949.70000112.1I156 S157 C163 H164I156-T160 HydrophobicContact CG2-CG2 4.07Å; I156-T160 WeakPolarHBondContact O-CB 3.33Å; I156-T160 VanDerWaalsContact O-CG2 3.29Å; I156-T160 WeakPolarHBondContact O-CG2 3.36Å; I156-T160 PolarHBondContact O-N 3.03Å; I156-T160 PolarHBondContact O-OG1 3.28Å; S157-T160 WeakPolarHBondContact CA-OG1 3.48Å; S157-T160 PolarHBondContact O-OG1 3Å; T160-C163 PolarHBondContact O-N 3.49Å; T160-H164 WeakPolarHBondContact O-CB 3.28Å; T160-H164 PolarHBondContact O-N 3Å
161L95.8Very high95.1Very high98 Ų9890.8 Ų90.851%0.51348%0.481SS..Hα-helixtrans-61.9-45.9174.3-175.8152.9000111.4S157 T158 I159 C163 H164 I165S157-L161 WeakPolarHBondContact O-CB 3.25Å; S157-L161 PolarHBondContact O-N 2.83Å; T158-L161 PolarHBondContact O-N 2.81Å; I159-L161 VanDerWaalsContact C-N 3.33Å; I159-L161 PolarHBondContact O-N 2.94Å; L161-C163 PolarHBondContact O-N 3.26Å; L161-H164 PolarHBondContact O-N 3.41Å; L161-I165 HydrophobicContact CD2-CD1 3.47Å; L161-I165 VanDerWaalsContact CD2-CD1 3.47Å; L161-I165 HydrophobicContact CD2-CG1 4.25Å; L161-I165 HydrophobicContact CG-CD1 4.47Å; L161-I165 WeakPolarHBondContact O-CG1 3.48Å; L161-I165 PolarHBondContact O-N 3.36Å
162V96.4Very high95Very high78 Ų7889.1 Ų89.147%0.47348%0.478SS..Hα-helixtrans-61-44.9176.1171.30000110.9T158 I159 H164 I165 I166T158-V162 VanDerWaalsContact O-CG2 3.29Å; T158-V162 WeakPolarHBondContact O-CG2 3.33Å; T158-V162 PolarHBondContact O-N 3.11Å; I159-V162 PolarHBondContact O-N 2.96Å; V162-H164 VanDerWaalsContact C-N 3.34Å; V162-H164 PolarHBondContact O-N 2.98Å; V162-I165 PolarHBondContact O-N 3.01Å; V162-I166 HydrophobicContact CG1-CD1 3.84Å; V162-I166 VanDerWaalsContact O-CG1 3.31Å; V162-I166 WeakPolarHBondContact O-CG1 3.44Å; V162-I166 PolarHBondContact O-N 3.31Å
163C95.3Very high95Very high64 Ų6490.6 Ų90.643%0.43248%0.479SS..Hα-helixtrans-59.9-42.1175.3-710000112.1I159 T160 L161 I166 L167I159-C163 PolarHBondContact O-N 3.41Å; I159-C163 PolarHBondContact O-SG 2.78Å; I159-C163 VanDerWaalsContact O-SG 3.36Å; T160-C163 PolarHBondContact O-N 3.49Å; L161-C163 PolarHBondContact O-N 3.26Å; C163-I166 PolarHBondContact O-N 2.88Å; C163-L167 VanDerWaalsContact O-CG 3.3Å; C163-L167 WeakPolarHBondContact O-CG 3.25Å; C163-L167 PolarHBondContact O-N 3.38Å
164H95.3Very high94.8Very high121 Ų12193.1 Ų93.156%0.5648%0.481SS*.Hα-helixtrans-64.7-42.1176.3-78.9-10.2000112.7T160 L161 V162 I166 L167 I168T160-H164 WeakPolarHBondContact O-CB 3.28Å; T160-H164 PolarHBondContact O-N 3Å; L161-H164 PolarHBondContact O-N 3.41Å; V162-H164 VanDerWaalsContact C-N 3.34Å; V162-H164 PolarHBondContact O-N 2.98Å; H164-I166 PolarHBondContact O-N 2.81Å; H164-L167 PolarHBondContact O-N 3.34Å; H164-I168 VanDerWaalsContact O-CG1 3.25Å; H164-I168 WeakPolarHBondContact O-CG1 3.33Å; H164-I168 PolarHBondContact O-N 2.83Å
165I95.3Very high94.4Very high85 Ų8594 Ų9444%0.43649%0.486SS..Hα-helixtrans-60.5-46.1174.8-68.3175.1000110.6L161 V162 L167 I168 I169L161-I165 HydrophobicContact CD2-CD1 3.47Å; L161-I165 VanDerWaalsContact CD2-CD1 3.47Å; L161-I165 HydrophobicContact CD2-CG1 4.25Å; L161-I165 HydrophobicContact CG-CD1 4.47Å; L161-I165 WeakPolarHBondContact O-CG1 3.48Å; L161-I165 PolarHBondContact O-N 3.36Å; V162-I165 PolarHBondContact O-N 3.01Å; I165-L167 VanDerWaalsContact C-N 3.33Å; I165-L167 PolarHBondContact O-N 3.37Å; I165-I168 PolarHBondContact O-N 3.14Å; I165-I169 HydrophobicContact CG2-CD1 3.75Å; I165-I169 HydrophobicContact CG2-CG1 4.4Å; I165-I169 VanDerWaalsContact O-CG1 3.3Å; I165-I169 WeakPolarHBondContact O-CG1 3.25Å; I165-I169 PolarHBondContact O-N 3.02Å
166I95.5Very high93.9Very high101 Ų10194.8 Ų94.852%0.51849%0.487SS..Hα-helixtrans-60.5-43.5178-67.4166.5000110.9V162 C163 H164 I169 F170V162-I166 HydrophobicContact CG1-CD1 3.84Å; V162-I166 VanDerWaalsContact O-CG1 3.31Å; V162-I166 WeakPolarHBondContact O-CG1 3.44Å; V162-I166 PolarHBondContact O-N 3.31Å; C163-I166 PolarHBondContact O-N 2.88Å; H164-I166 PolarHBondContact O-N 2.81Å; I166-I169 PolarHBondContact O-N 3.15Å; I166-F170 WeakPolarHBondContact O-CB 3.25Å; I166-F170 PolarHBondContact O-N 2.61Å
167L94.5Very high92.9Very high94 Ų9496 Ų9649%0.49249%0.491SS..Hα-helixtrans-63.2-42.2176.8-73.3173.3000112.1C163 H164 I165 F170 L171C163-L167 VanDerWaalsContact O-CG 3.3Å; C163-L167 WeakPolarHBondContact O-CG 3.25Å; C163-L167 PolarHBondContact O-N 3.38Å; H164-L167 PolarHBondContact O-N 3.34Å; I165-L167 VanDerWaalsContact C-N 3.33Å; I165-L167 PolarHBondContact O-N 3.37Å; L167-F170 PolarHBondContact O-N 3.26Å; L167-L171 WeakPolarHBondContact O-CB 3.32Å; L167-L171 VanDerWaalsContact O-CG 3.26Å; L167-L171 WeakPolarHBondContact O-CG 3.33Å; L167-L171 PolarHBondContact O-N 2.91Å
168I95.2Very high91.8Very high103 Ų10397.5 Ų97.553%0.52849%0.491SS..Hα-helixtrans-63.1-43.8176.6-68.6164.5000110.5H164 I165 L171 S172H164-I168 VanDerWaalsContact O-CG1 3.25Å; H164-I168 WeakPolarHBondContact O-CG1 3.33Å; H164-I168 PolarHBondContact O-N 2.83Å; I165-I168 PolarHBondContact O-N 3.14Å; I168-L171 PolarHBondContact O-N 3.04Å; I168-S172 VanDerWaalsContact O-CB 3.25Å; I168-S172 WeakPolarHBondContact O-CB 3.48Å; I168-S172 PolarHBondContact O-N 3.36Å; I168-S172 PolarHBondContact O-OG 3.34Å
169I94.8Very high90.7Very high109 Ų10999.2 Ų99.256%0.55949%0.494SS*.Hα-helixtrans-62.3-45.6176.2-67.8168000110.3I165 I166 S172 W173I165-I169 HydrophobicContact CG2-CD1 3.75Å; I165-I169 HydrophobicContact CG2-CG1 4.4Å; I165-I169 VanDerWaalsContact O-CG1 3.3Å; I165-I169 WeakPolarHBondContact O-CG1 3.25Å; I165-I169 PolarHBondContact O-N 3.02Å; I166-I169 PolarHBondContact O-N 3.15Å; I169-S172 PolarHBondContact O-N 3.05Å; I169-W173 WeakPolarHBondContact O-CB 3.37Å; I169-W173 PolarHBondContact O-N 3.47Å
170F94.2Very high89.6Confident104 Ų104100.4 Ų100.446%0.45650%0.495SS..Hα-helixtrans-64.1-43.2179-176.4-99.3000112.3I166 L167 W173 R174I166-F170 WeakPolarHBondContact O-CB 3.25Å; I166-F170 PolarHBondContact O-N 2.61Å; L167-F170 PolarHBondContact O-N 3.26Å; F170-W173 HydrophobicContact CD2-CE3 4.15Å; F170-W173 HydrophobicContact CD2-CZ3 4.47Å; F170-W173 HydrophobicContact CE2-CE3 4.13Å; F170-W173 HydrophobicContact CE2-CZ3 4.06Å; F170-W173 PolarHBondContact O-N 2.71Å; F170-R174 WeakPolarHBondContact O-CB 3.26Å; F170-R174 PolarHBondContact O-N 2.84Å
171L91.7Very high88.2Confident96 Ų96105.2 Ų105.250%0.50351%0.506SS..Hα-helixtrans-64.6-43.2175.3-74.7168.1000111.4L167 I168 W173 R174 L175L167-L171 WeakPolarHBondContact O-CB 3.32Å; L167-L171 VanDerWaalsContact O-CG 3.26Å; L167-L171 WeakPolarHBondContact O-CG 3.33Å; L167-L171 PolarHBondContact O-N 2.91Å; I168-L171 PolarHBondContact O-N 3.04Å; L171-W173 VanDerWaalsContact C-N 3.34Å; L171-W173 PolarHBondContact O-N 3.45Å; L171-R174 PolarHBondContact O-N 3.31Å; L171-L175 WeakPolarHBondContact O-CB 3.39Å; L171-L175 VanDerWaalsContact O-CG 3.25Å; L171-L175 WeakPolarHBondContact O-CG 3.4Å; L171-L175 PolarHBondContact O-N 2.87Å
172S92.2Very high86.7Confident66 Ų66106.1 Ų106.146%0.46251%0.511SS..Hα-helixtrans-61.8-43.4176.2-59.50000111.3I168 I169 L175 H176I168-S172 VanDerWaalsContact O-CB 3.25Å; I168-S172 WeakPolarHBondContact O-CB 3.48Å; I168-S172 PolarHBondContact O-N 3.36Å; I168-S172 PolarHBondContact O-OG 3.34Å; I169-S172 PolarHBondContact O-N 3.05Å; S172-L175 PolarHBondContact O-N 3.16Å; S172-H176 WeakPolarHBondContact O-CB 3.33Å; S172-H176 PolarHBondContact O-N 2.85Å
173W92.7Very high85Confident162 Ų162110.6 Ų110.661%0.61452%0.521SS*.Hα-helixtrans-63.3-45.7175.6-179.260.4000111.9I169 F170 L171 H176 H177I169-W173 WeakPolarHBondContact O-CB 3.37Å; I169-W173 PolarHBondContact O-N 3.47Å; F170-W173 HydrophobicContact CD2-CE3 4.15Å; F170-W173 HydrophobicContact CD2-CZ3 4.47Å; F170-W173 HydrophobicContact CE2-CE3 4.13Å; F170-W173 HydrophobicContact CE2-CZ3 4.06Å; F170-W173 PolarHBondContact O-N 2.71Å; L171-W173 VanDerWaalsContact C-N 3.34Å; L171-W173 PolarHBondContact O-N 3.45Å; W173-H176 PolarHBondContact O-N 3.48Å; W173-H177 PolarHBondContact O-N 3.41Å
174R91.9Very high83.4Confident127 Ų127114.3 Ų114.348%0.47953%0.532SS..Hα-helixtrans-62.9-44.2177.5-174.6173.4-179.7177.10.4111.8F170 L171 H177 H178F170-R174 WeakPolarHBondContact O-CB 3.26Å; F170-R174 PolarHBondContact O-N 2.84Å; L171-R174 PolarHBondContact O-N 3.31Å; R174-H177 PolarHBondContact O-N 3.36Å; R174-H178 PolarHBondContact O-CD2 3.2Å; R174-H178 PolarHBondContact O-N 2.97Å
175L85.7Confident81.5Confident112 Ų112115.6 Ų115.659%0.58653%0.533SS*.Hα-helixtrans-62.7-45.5177.1-75.7168.3000111.5L171 S172 H177 H178 Q179L171-L175 WeakPolarHBondContact O-CB 3.39Å; L171-L175 VanDerWaalsContact O-CG 3.25Å; L171-L175 WeakPolarHBondContact O-CG 3.4Å; L171-L175 PolarHBondContact O-N 2.87Å; S172-L175 PolarHBondContact O-N 3.16Å; L175-H177 VanDerWaalsContact C-N 3.32Å; L175-H177 PolarHBondContact O-N 2.83Å; L175-H178 PolarHBondContact O-N 3.07Å; L175-Q179 WeakPolarHBondContact O-CG 3.32Å; L175-Q179 PolarHBondContact O-N 2.5Å
176H85Confident79.8Confident95 Ų95118.6 Ų118.644%0.4454%0.543SS..Hα-helixtrans-63.7-36.7177.3178.9-112.2000112.4S172 W173 Q179 K180S172-H176 WeakPolarHBondContact O-CB 3.33Å; S172-H176 PolarHBondContact O-N 2.85Å; W173-H176 PolarHBondContact O-N 3.48Å; H176-Q179 PolarHBondContact O-N 3Å; H176-K180 WeakPolarHBondContact CE1-CE 3.36Å; H176-K180 PolarHBondContact O-N 2.91Å; H176-K180 VanDerWaalsContact O-N 3.13Å
177H75.7Confident78Confident100 Ų100120.2 Ų120.246%0.46355%0.548SS..Hα-helixtrans-68.3-39.8175.4-160.5-85.7000112.3W173 R174 L175 K180 W181W173-H177 PolarHBondContact O-N 3.41Å; R174-H177 PolarHBondContact O-N 3.36Å; L175-H177 VanDerWaalsContact C-N 3.32Å; L175-H177 PolarHBondContact O-N 2.83Å; H177-K180 PolarHBondContact O-N 2.92Å; H177-W181 AromaticContact CE1-CD1 3.63Å; H177-W181 AromaticContact CE1-NE1 3.58Å; H177-W181 AromaticContact ND1-CD1 3.64Å; H177-W181 PolarHBondContact O-N 3.42Å
178H73.5Confident76Confident98 Ų98123.2 Ų123.245%0.45455%0.554SS.*Hα-helixtrans-65.2-39.1173.8-89.8-77.9000112.4R174 L175 K180 W181 L182R174-H178 PolarHBondContact O-CD2 3.2Å; R174-H178 PolarHBondContact O-N 2.97Å; L175-H178 PolarHBondContact O-N 3.07Å; H178-K180 PolarHBondContact O-N 2.95Å; H178-W181 WeakPolarHBondContact O-CB 3.24Å; H178-W181 PolarHBondContact O-N 3.31Å; H178-L182 WeakPolarHBondContact O-CG 3.14Å; H178-L182 PolarHBondContact O-N 3.39Å
179Q73.2Confident74.2Confident110 Ų110121.7 Ų121.751%0.51455%0.547SS..Hα-helixtrans-61.8-43.8175.6-75.7-179.8-12.500111.8L175 H176 W181 L182 Y183L175-Q179 WeakPolarHBondContact O-CG 3.32Å; L175-Q179 PolarHBondContact O-N 2.5Å; H176-Q179 PolarHBondContact O-N 3Å; Q179-W181 VanDerWaalsContact C-N 3.27Å; Q179-W181 PolarHBondContact O-N 3.09Å; Q179-L182 PolarHBondContact O-N 3.05Å; Q179-L182 VanDerWaalsContact O-N 3.17Å; Q179-Y183 WeakPolarHBondContact O-CD2 3.4Å; Q179-Y183 PolarHBondContact O-N 2.87Å
180K71.4Confident72.3Confident122 Ų122121 Ų12153%0.5354%0.544SS..Hα-helixtrans-59.1-39.7175.2-77-174.5174.2-178.90112.4H176 H177 H178 Q184H176-K180 WeakPolarHBondContact CE1-CE 3.36Å; H176-K180 PolarHBondContact O-N 2.91Å; H176-K180 VanDerWaalsContact O-N 3.13Å; H177-K180 PolarHBondContact O-N 2.92Å; H178-K180 PolarHBondContact O-N 2.95Å; K180-Q184 PolarHBondContact O-N 2.98Å
181W67.3Low70.4Confident164 Ų164121.8 Ų121.862%0.62155%0.549SS*.Hα-helixtrans-63.7-44.5174.2-98.388.2000112.5H177 H178 Q179 Q184 Y185H177-W181 AromaticContact CE1-CD1 3.63Å; H177-W181 AromaticContact CE1-NE1 3.58Å; H177-W181 AromaticContact ND1-CD1 3.64Å; H177-W181 PolarHBondContact O-N 3.42Å; H178-W181 WeakPolarHBondContact O-CB 3.24Å; H178-W181 PolarHBondContact O-N 3.31Å; Q179-W181 VanDerWaalsContact C-N 3.27Å; Q179-W181 PolarHBondContact O-N 3.09Å; W181-Q184 PolarHBondContact O-N 2.77Å; W181-Y185 WeakPolarHBondContact O-CB 3.26Å; W181-Y185 PolarHBondContact O-N 2.96Å
182L64.8Low68.5Low117 Ų117120.3 Ų120.361%0.61354%0.542SS*.Hα-helixtrans-65.5-39.2178.3-71.6170.6000112.6H178 Q179 Y185 K186H178-L182 WeakPolarHBondContact O-CG 3.14Å; H178-L182 PolarHBondContact O-N 3.39Å; Q179-L182 PolarHBondContact O-N 3.05Å; Q179-L182 VanDerWaalsContact O-N 3.17Å; L182-Y185 PolarHBondContact O-N 2.87Å; L182-K186 WeakPolarHBondContact O-CB 3.3Å; L182-K186 PolarHBondContact O-N 3Å
183Y60.5Low66.5Low173 Ų173123.3 Ų123.368%0.67855%0.548SS*.Hα-helixtrans-63.2-42.7175.9-92.2-76.7000112.3Q179 H187Q179-Y183 WeakPolarHBondContact O-CD2 3.4Å; Q179-Y183 PolarHBondContact O-N 2.87Å; Y183-H187 PolarHBondContact O-N 3.11Å; Y183-H187 VanDerWaalsContact O-N 3.13Å
184Q60.5Low64.3Low142 Ų142124.6 Ų124.666%0.66455%0.553SS**Hα-helixtrans-67.6-39.2176.5-73.3-172.2-7.900112.1K180 W181 K186 H187 Y188K180-Q184 PolarHBondContact O-N 2.98Å; W181-Q184 PolarHBondContact O-N 2.77Å; Q184-K186 PolarHBondContact O-N 3.2Å; Q184-H187 PolarHBondContact O-N 3.26Å; Q184-Y188 PolarHBondContact O-N 3.35Å
185Y55.9Low62.3Low147 Ų147123.8 Ų123.858%0.57656%0.557SS**Hα-helixtrans-63.6-41.8177.7-165.7-98.2000111.9W181 L182 H187 Y188 N189W181-Y185 WeakPolarHBondContact O-CB 3.26Å; W181-Y185 PolarHBondContact O-N 2.96Å; L182-Y185 PolarHBondContact O-N 2.87Å; Y185-H187 PolarHBondContact O-N 3.1Å; Y185-Y188 PolarHBondContact O-N 2.92Å; Y185-N189 VanDerWaalsContact CE1-ND2 3.34Å; Y185-N189 WeakPolarHBondContact CE1-ND2 3.37Å; Y185-N189 PolarHBondContact O-N 3.39Å
186K59.9Low60.5Low149 Ų149121 Ų12165%0.64855%0.551SS**Hα-helixtrans-65.6-38176.6-160.3173.6-175.7178.70112.2L182 Q184 N190L182-K186 WeakPolarHBondContact O-CB 3.3Å; L182-K186 PolarHBondContact O-N 3Å; Q184-K186 PolarHBondContact O-N 3.2Å; K186-N190 PolarHBondContact O-N 2.9Å; K186-N190 VanDerWaalsContact O-N 3.15Å
187H57.1Low58.9Low135 Ų135120.3 Ų120.363%0.62555%0.553SS**Hα-helixtrans-69.1-34.4176.1-116-70.6000113.2Y183 Q184 Y185 H191Y183-H187 PolarHBondContact O-N 3.11Å; Y183-H187 VanDerWaalsContact O-N 3.13Å; Q184-H187 PolarHBondContact O-N 3.26Å; Y185-H187 PolarHBondContact O-N 3.1Å; H187-H191 PolarHBondContact O-N 3.22Å
188Y53.3Low57.6Low156 Ų156120.9 Ų120.961%0.61256%0.56SS**Hα-helixtrans-70.5-41.1177.2-166.5-100.6000111.9Q184 Y185 H191 N192Q184-Y188 PolarHBondContact O-N 3.35Å; Y185-Y188 PolarHBondContact O-N 2.92Å; Y188-H191 PolarHBondContact O-N 3.42Å; Y188-N192 WeakPolarHBondContact CD1-ND2 3.3Å; Y188-N192 WeakPolarHBondContact CE1-ND2 3.31Å; Y188-N192 PolarHBondContact O-N 3.3Å; Y188-N192 VanDerWaalsContact O-N 3.12Å; Y188-N192 PolarHBondContact O-ND2 2.87Å
189N56.8Low56.2Low72 Ų72117.5 Ų117.539%0.38555%0.551SS.*Hα-helixtrans-67.2-41177.1-81-1.7000112.6Y185 H191 N192 E193Y185-N189 VanDerWaalsContact CE1-ND2 3.34Å; Y185-N189 WeakPolarHBondContact CE1-ND2 3.37Å; Y185-N189 PolarHBondContact O-N 3.39Å; N189-H191 VanDerWaalsContact C-N 3.28Å; N189-H191 PolarHBondContact O-N 3.33Å; N189-N192 PolarHBondContact O-N 2.99Å; N189-E193 PolarHBondContact O-N 3.47Å
190N55.9Low55Low93 Ų93117 Ų11750%0.49755%0.551SS.*Hα-helixtrans-64-32.3175.7-91.3-2.6000113.1K186 R194K186-N190 PolarHBondContact O-N 2.9Å; K186-N190 VanDerWaalsContact O-N 3.15Å; N190-R194 PolarHBondContact O-N 3.24Å
191H52.8Low53.6Low122 Ų122119.6 Ų119.657%0.56556%0.559SS**Hα-helixtrans-70.5-40175.3-120.4-70000111.6H187 Y188 N189 R194 L195H187-H191 PolarHBondContact O-N 3.22Å; Y188-H191 PolarHBondContact O-N 3.42Å; N189-H191 VanDerWaalsContact C-N 3.28Å; N189-H191 PolarHBondContact O-N 3.33Å; H191-R194 PolarHBondContact O-N 2.93Å; H191-L195 WeakPolarHBondContact O-CD1 3.21Å; H191-L195 PolarHBondContact O-N 2.92Å
192N51.4Low52.6Low65 Ų65116.4 Ų116.435%0.34855%0.549SS..Hα-helixtrans-70.5-32.6178-71.2-19.2000112.6Y188 N189 L195 A196Y188-N192 WeakPolarHBondContact CD1-ND2 3.3Å; Y188-N192 WeakPolarHBondContact CE1-ND2 3.31Å; Y188-N192 PolarHBondContact O-N 3.3Å; Y188-N192 VanDerWaalsContact O-N 3.12Å; Y188-N192 PolarHBondContact O-ND2 2.87Å; N189-N192 PolarHBondContact O-N 2.99Å; N192-L195 PolarHBondContact O-N 3.29Å; N192-A196 WeakPolarHBondContact O-CB 3.5Å; N192-A196 PolarHBondContact O-N 2.96Å
193E50.7Low51.7Low128 Ų128115.9 Ų115.960%0.59855%0.547SS*.Hα-helixtrans-69.4-36.3176.3-158170.8-165.600111.8N189 A196 T197N189-E193 PolarHBondContact O-N 3.47Å; E193-A196 PolarHBondContact O-N 2.91Å; E193-T197 WeakPolarHBondContact O-CG2 3.38Å; E193-T197 PolarHBondContact O-N 2.96Å; E193-T197 PolarHBondContact O-OG1 3.43Å
194R47.1Very low51.1Low189 Ų189112.3 Ų112.371%0.71354%0.539SS*.Hα-helixtrans-69.2-29.8169.6-83.4-176.3162.1-176.1-5.1113.7N190 H191 T197 N198N190-R194 PolarHBondContact O-N 3.24Å; H191-R194 PolarHBondContact O-N 2.93Å; R194-T197 WeakPolarHBondContact CA-OG1 3.31Å; R194-T197 PolarHBondContact O-OG1 3.22Å; R194-N198 WeakPolarHBondContact O-CB 3.29Å; R194-N198 PolarHBondContact O-N 2.89Å; R194-N198 PolarHBondContact O-ND2 3.35Å; R194-N198 VanDerWaalsContact O-ND2 3.09Å
195L49.4Very low50.4Low110 Ų110111.3 Ų111.358%0.57654%0.537SS*.Hα-helixtrans-78.2-33.1174.7-85149.1000112.1H191 N192 G199H191-L195 WeakPolarHBondContact O-CD1 3.21Å; H191-L195 PolarHBondContact O-N 2.92Å; N192-L195 PolarHBondContact O-N 3.29Å; L195-G199 WeakPolarHBondContact O-CA 3.13Å; L195-G199 PolarHBondContact O-N 2.9Å
196A48.4Very low49.9Very low54 Ų54108.4 Ų108.445%0.44654%0.537SS..Hα-helixtrans-72.1-42.1176.700000111.8N192 E193 G199 I200N192-A196 WeakPolarHBondContact O-CB 3.5Å; N192-A196 PolarHBondContact O-N 2.96Å; E193-A196 PolarHBondContact O-N 2.91Å; A196-G199 PolarHBondContact O-N 3.24Å; A196-I200 WeakPolarHBondContact O-CD1 3.27Å; A196-I200 VanDerWaalsContact O-CG1 3.24Å; A196-I200 WeakPolarHBondContact O-CG1 3.4Å; A196-I200 PolarHBondContact O-N 2.97Å
197T51.3Low49.1Very low81 Ų81106.3 Ų106.350%0.49753%0.533SS..Hα-helixtrans-66.7-39175.346.50000112.3E193 R194 Y201E193-T197 WeakPolarHBondContact O-CG2 3.38Å; E193-T197 PolarHBondContact O-N 2.96Å; E193-T197 PolarHBondContact O-OG1 3.43Å; R194-T197 WeakPolarHBondContact CA-OG1 3.31Å; R194-T197 PolarHBondContact O-OG1 3.22Å; T197-Y201 PolarHBondContact O-N 3.42Å
198N47.6Very low48.4Very low112 Ų112106.2 Ų106.260%0.59953%0.533SS*.Hα-helixtrans-74.7-28173-75.2-29.8000113.5R194 K202R194-N198 WeakPolarHBondContact O-CB 3.29Å; R194-N198 PolarHBondContact O-N 2.89Å; R194-N198 PolarHBondContact O-ND2 3.35Å; R194-N198 VanDerWaalsContact O-ND2 3.09Å; N198-K202 WeakPolarHBondContact O-CB 3.29Å; N198-K202 PolarHBondContact O-N 3.48Å
199G45.6Very low48Very low26 Ų26102.7 Ų102.727%0.26853%0.53SS..Hα-helixtrans-69.2-42.1175.700000112.1L195 A196 Y201 K202 D203L195-G199 WeakPolarHBondContact O-CA 3.13Å; L195-G199 PolarHBondContact O-N 2.9Å; A196-G199 PolarHBondContact O-N 3.24Å; G199-Y201 PolarHBondContact O-N 3.24Å; G199-K202 WeakPolarHBondContact O-CB 3.29Å; G199-K202 PolarHBondContact O-N 3Å; G199-K202 VanDerWaalsContact O-N 3.12Å; G199-D203 PolarHBondContact O-N 3.28Å
200I47.6Very low47.3Very low101 Ų101107.3 Ų107.352%0.51855%0.549SS..Hα-helixtrans-65.6-39.5176.1-65.8164000110.8A196 K202 D203 I204A196-I200 WeakPolarHBondContact O-CD1 3.27Å; A196-I200 VanDerWaalsContact O-CG1 3.24Å; A196-I200 WeakPolarHBondContact O-CG1 3.4Å; A196-I200 PolarHBondContact O-N 2.97Å; I200-K202 VanDerWaalsContact C-N 3.3Å; I200-K202 PolarHBondContact O-N 3.44Å; I200-D203 PolarHBondContact O-N 3.41Å; I200-I204 HydrophobicContact CG2-CD1 3.77Å; I200-I204 WeakPolarHBondContact O-CB 3.43Å; I200-I204 WeakPolarHBondContact O-CD1 3.35Å; I200-I204 WeakPolarHBondContact O-CG1 3.3Å; I200-I204 PolarHBondContact O-N 2.79Å; I200-I204 VanDerWaalsContact O-N 3.08Å
201Y41.3Very low46.9Very low176 Ų176107 Ų10769%0.6956%0.56SS**Hα-helixtrans-64.8-34.5172.4-114.4-89.5000112.6T197 G199 L205T197-Y201 PolarHBondContact O-N 3.42Å; G199-Y201 PolarHBondContact O-N 3.24Å; Y201-L205 WeakPolarHBondContact O-CB 3.25Å; Y201-L205 PolarHBondContact O-N 3.33Å; Y201-L205 VanDerWaalsContact O-N 3.07Å
202K47.2Very low46.1Very low96 Ų96103 Ų10342%0.41755%0.546SS..Hα-helixtrans-69-42.2177.4-119.4179.4176.7-176.80112.8N198 G199 I200 L205 C206N198-K202 WeakPolarHBondContact O-CB 3.29Å; N198-K202 PolarHBondContact O-N 3.48Å; G199-K202 WeakPolarHBondContact O-CB 3.29Å; G199-K202 PolarHBondContact O-N 3Å; G199-K202 VanDerWaalsContact O-N 3.12Å; I200-K202 VanDerWaalsContact C-N 3.3Å; I200-K202 PolarHBondContact O-N 3.44Å; K202-L205 PolarHBondContact O-N 2.81Å; K202-C206 WeakPolarHBondContact O-CB 3.26Å; K202-C206 PolarHBondContact O-N 3.04Å
203D45.1Very low45.6Very low106 Ų106108.6 Ų108.657%0.56757%0.57SS**Hα-helixtrans-72.5-33179.8-71.5-16.6000111.5G199 I200 N207G199-D203 PolarHBondContact O-N 3.28Å; I200-D203 PolarHBondContact O-N 3.41Å; D203-N207 WeakPolarHBondContact O-CB 3.47Å; D203-N207 VanDerWaalsContact O-CG 3.26Å; D203-N207 PolarHBondContact O-N 2.89Å; D203-N207 PolarHBondContact O-ND2 3.02Å
204I48.4Very low44.9Very low98 Ų98111.7 Ų111.750%0.50358%0.582SS.*Hα-helixtrans-68-43.3173.3-65.7165.7000110.9I200 C206 H208I200-I204 HydrophobicContact CG2-CD1 3.77Å; I200-I204 WeakPolarHBondContact O-CB 3.43Å; I200-I204 WeakPolarHBondContact O-CD1 3.35Å; I200-I204 WeakPolarHBondContact O-CG1 3.3Å; I200-I204 PolarHBondContact O-N 2.79Å; I200-I204 VanDerWaalsContact O-N 3.08Å; I204-C206 VanDerWaalsContact C-N 3.34Å; I204-C206 PolarHBondContact O-N 3.4Å; I204-H208 WeakPolarHBondContact O-CB 3.34Å; I204-H208 PolarHBondContact O-N 3.03Å; I204-H208 VanDerWaalsContact O-N 3.11Å
205L45.1Very low44.4Very low122 Ų122107.7 Ų107.764%0.63957%0.573SS**Hα-helixtrans-69.1-32.8179.3-138.176000112.4Y201 K202Y201-L205 WeakPolarHBondContact O-CB 3.25Å; Y201-L205 PolarHBondContact O-N 3.33Å; Y201-L205 VanDerWaalsContact O-N 3.07Å; K202-L205 PolarHBondContact O-N 2.81Å
206C45.2Very low43.9Very low85 Ų85107.5 Ų107.557%0.57458%0.579SS**Hα-helixtrans-75.3-39.8178.4-1410000112K202 I204 H208 C209 E210K202-C206 WeakPolarHBondContact O-CB 3.26Å; K202-C206 PolarHBondContact O-N 3.04Å; I204-C206 VanDerWaalsContact C-N 3.34Å; I204-C206 PolarHBondContact O-N 3.4Å; C206-H208 VanDerWaalsContact C-N 3.33Å; C206-H208 PolarHBondContact O-N 3.46Å; C206-C209 PolarHBondContact O-N 3.35Å; C206-E210 PolarHBondContact O-N 3.38Å
207N43.2Very low43.2Very low105 Ų105109.8 Ų109.856%0.56159%0.59SS**Hα-helixtrans-70.6-27.2176.8-73.4-19.2000112.9D203 A211D203-N207 WeakPolarHBondContact O-CB 3.47Å; D203-N207 VanDerWaalsContact O-CG 3.26Å; D203-N207 PolarHBondContact O-N 2.89Å; D203-N207 PolarHBondContact O-ND2 3.02Å; N207-A211 PolarHBondContact O-N 3.44Å
208H43.5Very low42.7Very low134 Ų134114 Ų11462%0.6260%0.602SS**Hα-helixtrans-73.8-28.7176.4-138.7-50.5000112.9I204 C206 S212I204-H208 WeakPolarHBondContact O-CB 3.34Å; I204-H208 PolarHBondContact O-N 3.03Å; I204-H208 VanDerWaalsContact O-N 3.11Å; C206-H208 VanDerWaalsContact C-N 3.33Å; C206-H208 PolarHBondContact O-N 3.46Å; H208-S212 PolarHBondContact O-OG 2.86Å
209C44.2Very low42.2Very low82 Ų82118.6 Ų118.655%0.55461%0.612SS**Hα-helixtrans-74.9-29.6174.2-83.50000113.4C206C206-C209 PolarHBondContact O-N 3.35Å
210E43.3Very low42Very low168 Ų168121.9 Ų121.979%0.78562%0.623SS**Hα-helixtrans-77.9-23.7177.2-109.7178.1172.800113.2C206C206-E210 PolarHBondContact O-N 3.38Å
211A45.6Very low41.8Very low87 Ų87123.1 Ų123.172%0.71964%0.635SS**SBendtrans-90.9-7.1-177.800000114.8N207N207-A211 PolarHBondContact O-N 3.44Å
212S37.2Very low41.7Very low39 Ų39121.7 Ų121.727%0.27364%0.64SS.*  trans-127.496.7-177.147.20000111.1H208 F214 I215H208-S212 PolarHBondContact O-OG 2.86Å; S212-F214 PolarHBondContact O-N 3.36Å; S212-I215 WeakPolarHBondContact OG-CD1 3.44Å
213Q41.4Very low41Very low182 Ų182120.3 Ų120.385%0.8564%0.641SS**SBendtrans-62.56.5-177.7-79-178-11.600115.8
214F34.7Very low40.9Very low193 Ų193119.4 Ų119.485%0.84664%0.641SS**  trans-15176.1179.2-75.1-85.4000110.4S212S212-F214 PolarHBondContact O-N 3.36Å
215I37.5Very low40.5Very low104 Ų104124 Ų12453%0.53365%0.654SS.*  trans-121.1114.3161-57.2-178.9000108.1S212 C217S212-I215 WeakPolarHBondContact OG-CD1 3.44Å; I215-C217 PolarHBondContact O-N 3.49Å
216P39.3Very low40.4Very low106 Ų106122.6 Ų122.669%0.68865%0.649SS**  trans-62.8128.6176.123.3-29.5000109.8K218P216-K218 PolarHBondContact O-N 2.84Å
217C33.2Very low40Very low103 Ų103124.5 Ų124.570%0.69665%0.65SS**SBendtrans-66.444.7-179-60.60000114.1I215 Y219 I220I215-C217 PolarHBondContact O-N 3.49Å; C217-Y219 VanDerWaalsContact C-N 3.31Å; C217-I220 HydrophobicContact CB-CD1 3.83Å; C217-I220 HydrophobicContact CB-CG1 4.31Å
218K41.1Very low39.8Very low170 Ų170128.7 Ų128.774%0.73966%0.663SS**SBendtrans-85.7-2.1178.8-149.8172.2-178.2177.80113.3P216P216-K218 PolarHBondContact O-N 2.84Å
219Y36.1Very low39.6Very low207 Ų207131 Ų13181%0.81267%0.674SS**SBendtrans-129.614-176.2-62.6-75.1000114.8C217 T221C217-Y219 VanDerWaalsContact C-N 3.31Å; Y219-T221 VanDerWaalsContact C-N 3.33Å; Y219-T221 PolarHBondContact O-N 3.29Å
220I42.6Very low39.5Very low96 Ų96133.4 Ų133.449%0.49268%0.68SS.*THydrogen-bonded Turntrans-95.742.8-177.5-44.2-179.9000111.5C217 C223C217-I220 HydrophobicContact CB-CD1 3.83Å; C217-I220 HydrophobicContact CB-CG1 4.31Å; I220-C223 HydrophobicContact CG2-CB 3.85Å
221T41.8Very low39.3Very low127 Ų127133.2 Ų133.278%0.77968%0.676SS**THydrogen-bonded Turntrans-87.7-12.6173.940.50000113.6Y219Y219-T221 VanDerWaalsContact C-N 3.33Å; Y219-T221 PolarHBondContact O-N 3.29Å
222D39.2Very low38.9Very low146 Ų146132.3 Ų132.378%0.78168%0.676SS**  trans-109.222-175.9-68.9-32.1000114.5P224D222-P224 WeakPolarHBondContact O-CD 3.27Å
223C34.2Very low38.7Very low66 Ų66137.7 Ų137.745%0.44670%0.702SS.*  trans-82.5108.5178.6-142.20000110.9I220 Y225 V226I220-C223 HydrophobicContact CG2-CB 3.85Å; C223-Y225 PolarHBondContact O-N 3.29Å; C223-V226 PolarHBondContact O-N 3.5Å
224P42.2Very low38.4Very low88 Ų88137.3 Ų137.357%0.57170%0.699SS**THydrogen-bonded Turntrans-72.96.3-166.5-1530.4000115.4D222D222-P224 WeakPolarHBondContact O-CD 3.27Å
225Y40.8Very low38.4Very low195 Ų195135 Ų13577%0.76570%0.696SS**THydrogen-bonded Turntrans-112.5-11.1-178.1-91.1-96.4000114.3C223C223-Y225 PolarHBondContact O-N 3.29Å
226V41.9Very low38.1Very low91 Ų91136.6 Ų136.655%0.55271%0.706SS**THydrogen-bonded Turntrans-91.1-18.8175.2-178.50000111.6C223 K228 I230C223-V226 PolarHBondContact O-N 3.5Å; V226-K228 VanDerWaalsContact C-N 3.27Å; V226-K228 PolarHBondContact O-N 2.93Å; V226-I230 HydrophobicContact CG1-CD1 4.03Å
227H37.6Very low37.8Very low125 Ų125138.8 Ų138.858%0.57972%0.717SS**THydrogen-bonded Turntrans-79.5-0.2-174.5-141.348.2000115.3K231H227-K231 PolarHBondContact NE2-NZ 3.31Å
228K38.9Very low37.6Very low193 Ų193139.8 Ų139.884%0.83972%0.721SS**THydrogen-bonded Turntrans-107-7.3-176.9-132.9178.4-175.6-179.30116V226V226-K228 VanDerWaalsContact C-N 3.27Å; V226-K228 PolarHBondContact O-N 2.93Å
229Q39Very low37Very low183 Ų183137 Ų13786%0.85572%0.722SS**THydrogen-bonded Turntrans-103.9-19.7173-78.1-166.82.800114.2
230I42.2Very low36.8Very low132 Ų132131.2 Ų131.268%0.67772%0.717SS**THydrogen-bonded Turntrans-92.2-8.6-175.5-59.2175000112.5V226V226-I230 HydrophobicContact CG1-CD1 4.03Å
231K38.9Very low36.2Very low164 Ų164132.6 Ų132.671%0.71373%0.731SS**THydrogen-bonded Turntrans-104.716.5-175.5-112.1173.3-177.7169.40115.7H227H227-K231 PolarHBondContact NE2-NZ 3.31Å
232G36.1Very low35.6Very low69 Ų69132.6 Ų132.671%0.71173%0.73SS**SBendtrans-121.71.7-174.400000117
233N33.1Very low35.2Very low152 Ų152130.7 Ų130.781%0.81373%0.728SS**  trans-132.960.2-169.6-136.817.5000112.8
234H36.4Very low35.1Very low173 Ų173132.8 Ų132.880%0.80174%0.744SS**  trans-136.7105.1160.5-83.7-65.9000106.8
235N35.2Very low34.7Very low146 Ų146133.4 Ų133.478%0.78175%0.75SS**  trans168.1125.6132.2-78.3-14.7000110.3
236N31.4Very low34.4Very low137 Ų137128.7 Ų128.773%0.73375%0.746SS**  trans81.790.9151.6-52.1-12.4000117.9
237T31.4Very low34Very low152 Ų152130.1 Ų130.193%0.93376%0.755SS**  -160.5107.6112-2.30000110.4
238T30.6Very low33.8Very low124 Ų124129.2 Ų129.276%0.76176%0.763SS**  trans-84.9150179-40.40000110.6
239S27Very low33.7Very low110 Ų110124.9 Ų124.977%0.76976%0.757SS**  trans96.5111.6146.3-31.90000117.5
240A31.5Very low33.5Very low86 Ų86120.8 Ų120.871%0.71175%0.748SS**  -172.7114.111600000110.3
241T30.2Very low33.2Very low126 Ų126120.3 Ų120.377%0.77376%0.757SS**  trans49.3134.7135.742.30000119.3
242T28.8Very low33Very low126 Ų126116 Ų11677%0.77376%0.759SS**  cis177.7138.931.59.90000107.6
243S32.7Very low32.7Very low106 Ų106116.1 Ų116.174%0.74176%0.76SS**  trans174.4103.7145.625.90000107.4
244S30.9Very low32.6Very low110 Ų110114.1 Ų114.177%0.76976%0.758SS**  49.1119.599.2630000111.8
245S33.9Very low32.6Very low101 Ų101111.9 Ų111.971%0.70676%0.757SS**  cis178.6154.734.138.80000108.7
246S33.6Very low32.7Very low97 Ų97110.9 Ų110.968%0.67876%0.756SS**  trans57.6132.914759.10000118.7
247T34.6Very low32.7Very low121 Ų121109.6 Ų109.674%0.74276%0.758SS**  cis179.5148.717.59.60000106.4
248S34.2Very low32.7Very low106 Ų106109.6 Ų109.674%0.74175%0.752SS**  trans49.4134.914761.30000119.4
249S35.3Very low33Very low101 Ų101111.9 Ų111.971%0.70675%0.754SS**  cis-179.7151.515.133.20000108.7
250S35.5Very low33.2Very low98 Ų98114.4 Ų114.469%0.68576%0.759SS**  trans68.2119.614360.50000122.2
251S36.4Very low33.2Very low121 Ų121114.9 Ų114.985%0.84676%0.757SS**  trans66.6132.7136.560.40000118.2
252G33.5Very low33.2Very low75 Ų75117.1 Ų117.177%0.77376%0.764SS**  cis163.3152.37.400000108.1
253G31.2Very low33.3Very low70 Ų70118.1 Ų118.172%0.72276%0.763SS**  trans73.399.6163.300000116.7
254S31.4Very low33.2Very low110 Ų110120.5 Ų120.577%0.76977%0.765SS**  56.9102.786.374.50000115.2
255T36.4Very low33Very low127 Ų127121.7 Ų121.778%0.77976%0.762SS**  166.5110.211041.50000111.1
256T36.2Very low32.8Very low124 Ų124126.7 Ų126.776%0.76177%0.767SS**  trans32.1116.613952.30000122.1
257S32.2Very low32.5Very low111 Ų111129.1 Ų129.178%0.77677%0.773SS**  trans62.688.8137.968.50000120
258N31.3Very low32.4Very low152 Ų152129.3 Ų129.381%0.81377%0.774SS**  trans-96.2124.7150.9-81.3-22.2000108.4
259H36.9Very low32.2Very low171 Ų171132.2 Ų132.279%0.79278%0.776SS**  66.2119.790.8-105.9-58.5000113.9S261H259-S261 PolarHBondContact O-N 3.45Å
260N29.7Very low31.8Very low163 Ų163133.2 Ų133.287%0.87278%0.778SS**  trans-41.4126162.8-75.6-21.2000111.7
261S33.2Very low31.5Very low97 Ų97135.1 Ų135.168%0.67878%0.779SS**  trans-158.7112.315151.90000109.6H259 I263H259-S261 PolarHBondContact O-N 3.45Å; S261-I263 PolarHBondContact O-N 3.49Å
262N30Very low31.1Very low172 Ų172135 Ų13592%0.9278%0.776SS**  trans-53.9115.4157.2-76.8-33.1000108.8
263I31.1Very low30.9Very low148 Ų148139.3 Ų139.376%0.75978%0.775SS**  trans-141112.9156.8-63.8-174.5000106.5S261S261-I263 PolarHBondContact O-N 3.49Å
264M29.4Very low30.9Very low156 Ų156142 Ų14277%0.76878%0.778SS**  trans-64.7138.8161.4-75.9-154.8-70.500108.2
265D27.4Very low30.7Very low135 Ų135142.3 Ų142.372%0.72278%0.779SS**  179.5158.4120.3-89.2-25.5000112.5
266Y30.4Very low30.4Very low205 Ų205142 Ų14280%0.80478%0.78SS**  trans104.384.8164.6-63.7-78.4000118
267N26.6Very low29.9Very low149 Ų149144.7 Ų144.780%0.79778%0.784SS**  31.2115.6117.6-98.6-14000116.9
268T31.7Very low29.8Very low125 Ų125145.1 Ų145.177%0.76778%0.782SS**  trans-162.7110.9130.416.90000110.5
269Q30.4Very low29.7Very low167 Ų167144 Ų14478%0.7878%0.781SS**  trans50102.6135.5-75168.43.100119
270T26.9Very low29.4Very low122 Ų122146.3 Ų146.375%0.74878%0.784SS**  40.4102.5123.453.70000117.5
271L28.9Very low29.4Very low138 Ų138146.3 Ų146.372%0.72378%0.784SS**  trans-154.5131.6140.5-121.491.9000108.9H273L271-H273 PolarHBondContact O-N 3.44Å
272P28.1Very low29.3Very low118 Ų118147.5 Ų147.577%0.76679%0.787SS**  trans-82.2109.1178.432.2-27.6000108.5
273H30.6Very low29.2Very low166 Ų166146.3 Ų146.377%0.76978%0.781SS**  trans-97.6102.5170.7-84.2-64.9000111.1L271L271-H273 PolarHBondContact O-N 3.44Å
274T30.2Very low29.2Very low126 Ų126146.8 Ų146.877%0.77378%0.784SS**  trans-39.4133.5170.5-34.70000113.5C276T274-C276 PolarHBondContact O-N 3.18Å
275C27.1Very low29.1Very low117 Ų117147.8 Ų147.879%0.79179%0.787SS**  trans-49.7131.6172.5-64.10000112.5H277C275-H277 PolarHBondContact O-N 2.97Å; C275-H277 VanDerWaalsContact O-N 3.09Å
276C29.4Very low29.3Very low119 Ų119145.2 Ų145.280%0.80478%0.779SS**  trans-69.6101.5171.6-60.20000110.3T274 T278T274-C276 PolarHBondContact O-N 3.18Å; C276-T278 PolarHBondContact O-N 2.89Å
277H27.5Very low29.3Very low181 Ų181142.9 Ų142.984%0.83878%0.776SS**  trans-68.7104.3154.1-106.4-79.5000108.3C275C275-H277 PolarHBondContact O-N 2.97Å; C275-H277 VanDerWaalsContact O-N 3.09Å
278T29.7Very low29.6Very low121 Ų121142 Ų14274%0.74277%0.769SS**  trans-98.796.4161.739.30000109.3C276C276-T278 PolarHBondContact O-N 2.89Å
279T29Very low29.6Very low128 Ų128146 Ų14679%0.78577%0.772SS**  trans-65.7126.316222.30000109.6N281T279-N281 PolarHBondContact O-N 3.25Å
280Y29.4Very low29.8Very low219 Ų219146.2 Ų146.286%0.85977%0.772SS**  trans-61.1118.9174.1-74-94.4000110.6
281N30Very low30Very low164 Ų164147.4 Ų147.488%0.87777%0.774SS**  trans-107.599.4154.1-110.6-13000107.7T279 D283T279-N281 PolarHBondContact O-N 3.25Å; N281-D283 PolarHBondContact O-N 2.85Å
282T30.9Very low30.2Very low121 Ų121145.5 Ų145.574%0.74277%0.77SS**  trans-73.496.8168.9440000109.1
283D28.6Very low30.6Very low148 Ų148149.3 Ų149.379%0.79178%0.775SS**  trans-152.178.7158.9-98.7-27.4000108.8N281N281-D283 PolarHBondContact O-N 2.85Å
284L30.5Very low30.9Very low158 Ų158153.5 Ų153.583%0.82778%0.784SS**  trans-148.984159.1-136.682.3000110S286L284-S286 PolarHBondContact O-N 3.45Å
285H28.7Very low31.3Very low177 Ų177157.7 Ų157.782%0.81979%0.791SS**  trans-53.6105.2155.7-104.488000108.3
286S30.8Very low31.6Very low80 Ų80155.5 Ų155.556%0.55979%0.788SS**  trans-124.597161.959.80000109.3L284 I288L284-S286 PolarHBondContact O-N 3.45Å; S286-I288 PolarHBondContact O-N 3.26Å
287H31Very low31.9Very low157 Ų157161.8 Ų161.873%0.72780%0.795SS**  trans-59.898.3160.1-84.7-81.9000108.6
288I32.7Very low32.4Very low129 Ų129163.4 Ų163.466%0.66280%0.8SS**  trans-98.479.2164.2-57-178.6000107.6S286 H290S286-I288 PolarHBondContact O-N 3.26Å; I288-H290 HydrophobicContact CG2-CB 4.29Å; I288-H290 PolarHBondContact O-N 2.95Å
289Y31.4Very low32.6Very low211 Ų211167.6 Ų167.683%0.82781%0.808SS**  trans-82.492.5153.5-101.1-86000107.1
290H34.8Very low32.9Very low170 Ų170168.1 Ų168.179%0.78781%0.811SS**  trans-100.694164.1-102.9-56.5000109.2I288I288-H290 HydrophobicContact CG2-CB 4.29Å; I288-H290 PolarHBondContact O-N 2.95Å
291N31.8Very low33.1Very low147 Ų147163.5 Ų163.579%0.78681%0.808SS**  trans-92.1115.1163-156.2-11.7000107.4
292P33Very low33.3Very low98 Ų98164 Ų16464%0.63681%0.808SS**  trans-91139.5-178.434.5-29.7000110.8
293K35.7Very low33.5Very low199 Ų199166.4 Ų166.487%0.86581%0.809SS**  trans84.582.6161.5-54.7176.9-179.41780117.7
294R37Very low33.7Very low253 Ų253168.7 Ų168.796%0.95581%0.814SS**  -136.2114.4129.7-77.1-164.9174.5165.7-1.7110
295K38.1Very low33.7Very low214 Ų214171.4 Ų171.493%0.9382%0.815SS**  trans-67.5138.3172.7-71.2178.7173-178.60109.4
296G34Very low33.8Very low71 Ų71171.1 Ų171.173%0.73281%0.814SS**  trans94.89015100000117.4
297R36.3Very low33.9Very low251 Ų251176.7 Ų176.795%0.94783%0.828SS**  173.7145.7118.1-94.1173.6173.9178.6-2111
298K36.9Very low33.8Very low215 Ų215176.5 Ų176.594%0.93583%0.827SS**PPolyproline II helixtrans-53.7136.7-165.4-63.6169.4173.8178.90114.4
299K33.6Very low33.7Very low210 Ų210178.2 Ų178.291%0.91383%0.832SS**PPolyproline II helixtrans-101.4137.4163.4-79.3-174.3175.9-176.90110.1
300T36.2Very low33.7Very low138 Ų138173.1 Ų173.185%0.84782%0.822SS**PPolyproline II helixtrans-93148.4159.937.50000110
301P32.4Very low33.7Very low122 Ų122171.9 Ų171.979%0.79282%0.821SS**PPolyproline II helixtrans-101.1139-169.536.4-28.4000112.8
302I35.9Very low33.5Very low174 Ų174170.5 Ų170.589%0.89281%0.814SS**  trans-124.8128.4163.5-61179.2000108.7
303K34Very low33.3Very low172 Ų172173.4 Ų173.475%0.74882%0.819SS**  trans-75.3143.2-170.2-63.5171175.4177.60112.3
304H32.7Very low32.9Very low197 Ų197170.4 Ų170.491%0.91282%0.817SS**  trans-114.5131.3156.1-88.7-46.2000109.7
305Y30.4Very low32.2Very low214 Ų214167.8 Ų167.884%0.83981%0.813SS**  trans-86.1133.2175.4-90.3-96.3000110.7
306H30.5Very low31.6Very low172 Ų172163 Ų16380%0.79681%0.807SS**  trans-86.1146.1163.6-93.4-59.6000110.5
307K33.5Very low31.1Very low197 Ų197165.2 Ų165.286%0.85781%0.81SS**  trans-134.9106.1157.9-154.3174.9-173.9-178.30109.2
308H28.8Very low30.7Very low153 Ų153159.9 Ų159.971%0.70880%0.8SS**  trans-78.6142.8165.5-91.8-89.2000109.4
309H31.5Very low30.1Very low165 Ų165156 Ų15676%0.76479%0.79SS**  trans-132.2118.8154.1-127.1-67.5000108.3
310V29.9Very low29.7Very low104 Ų104153.3 Ų153.363%0.6378%0.78SS**  trans-97.7139.2168.8175.90000106.7
311N34.8Very low29.3Very low143 Ų143156 Ų15677%0.76578%0.776SS**  trans-173.3101.9153.6-86.1-18.3000106.3
312N28.5Very low29Very low119 Ų119159.3 Ų159.364%0.63678%0.778SS**  73.2114.487.9-93.89.4000115.8
313H27.9Very low28.6Very low159 Ų159156.1 Ų156.174%0.73677%0.771SS**  trans68.4140.7160.7-44.4-66.1000115.9
314T27.3Very low28.2Very low135 Ų135155 Ų15583%0.82877%0.773SS**  cis-168.5151.233.7-330000108.4
315F23.2Very low28.2Very low198 Ų198150.4 Ų150.487%0.86876%0.761SS**  trans-57.1142.4176-82.8-102.2000114.1
316S25.7Very low28Very low115 Ų115150.8 Ų150.880%0.80476%0.762SS**  trans-165117.1139.7-170.70000110.4
317C23.1Very low27.9Very low117 Ų117151 Ų15179%0.79176%0.757SS**  trans-88.7120.8168.2-65.20000108.5
318N27.5Very low27.7Very low139 Ų139151.2 Ų151.274%0.74376%0.758SS**  trans-155.5108.2149-126.4-15.3000111.5
319N25.3Very low27.8Very low133 Ų133150.9 Ų150.971%0.71176%0.757SS**  trans48.7128.6135-83.5-29.1000121.8
320Q25.6Very low27.7Very low154 Ų154148.3 Ų148.372%0.7276%0.757SS**  trans90.2132.6146.9-64.4169.18.700117.3
321Y27.1Very low27.6Very low195 Ų195150 Ų15077%0.76576%0.762SS**  trans100.493.1171.7-58-76.7000118
322K25.2Very low27.2Very low190 Ų190150.8 Ų150.883%0.82677%0.765SS**  49.197124.5-70.8177.1177173.40116.7
323S28Very low27.2Very low107 Ų107151.6 Ų151.675%0.74877%0.769SS**  trans-174.4122.3130.536.10000112.3
324L25.6Very low27.1Very low148 Ų148148.8 Ų148.878%0.77577%0.766SS**  trans40.8117.6154.9-66.898.5000120.6
325P31.9Very low27.3Very low102 Ų102148.7 Ų148.766%0.66277%0.767SS**  trans-95.9112.5149.533.5-23.1000110.4Y327P325-Y327 HydrophobicContact CB-CD2 3.73Å; P325-Y327 HydrophobicContact CB-CE2 3.62Å; P325-Y327 HydrophobicContact CG-CD2 4.07Å; P325-Y327 HydrophobicContact CG-CE2 4.02Å; P325-Y327 PolarHBondContact O-N 3.43Å; P325-Y327 VanDerWaalsContact O-N 3.08Å
326Y26.7Very low27.5Very low222 Ų222145.1 Ų145.187%0.87176%0.762SS**  trans-63.294.5161.6-118.5-98.1000108.4
327Y28.6Very low27.7Very low177 Ų177147.5 Ų147.569%0.69477%0.766SS**  trans-95.1102.1170.1-87.3-80.8000110.3P325 H329P325-Y327 HydrophobicContact CB-CD2 3.73Å; P325-Y327 HydrophobicContact CB-CE2 3.62Å; P325-Y327 HydrophobicContact CG-CD2 4.07Å; P325-Y327 HydrophobicContact CG-CE2 4.02Å; P325-Y327 PolarHBondContact O-N 3.43Å; P325-Y327 VanDerWaalsContact O-N 3.08Å; Y327-H329 PolarHBondContact O-N 2.86Å
328K30.4Very low28Very low200 Ų200150.2 Ų150.287%0.8777%0.767SS**  trans-84.886.6167.2-155.9178.1-173-177.80107.3S330K328-S330 PolarHBondContact O-N 2.9Å
329H29.7Very low27.9Very low147 Ų147152.7 Ų152.768%0.68177%0.774SS**  trans-69.8105170.4-82.4-88.9000109.5Y327 L331Y327-H329 PolarHBondContact O-N 2.86Å; H329-L331 PolarHBondContact O-N 3.08Å
330S29Very low28.1Very low111 Ų111153 Ų15378%0.77678%0.775SS**  trans-70.186.3156-62.60000107.8K328 L332K328-S330 PolarHBondContact O-N 2.9Å; S330-L332 PolarHBondContact O-N 3.36Å; S330-L332 VanDerWaalsContact O-N 3.08Å
331L28.4Very low28.2Very low139 Ų139152.9 Ų152.973%0.72878%0.779SS**  trans-68.7101.1164.7-88.4157.5000107.6H329 L333H329-L331 PolarHBondContact O-N 3.08Å; L331-L333 HydrophobicContact CB-CD1 4.28Å; L331-L333 PolarHBondContact O-N 3.39Å
332L26.8Very low28.4Very low160 Ų160150.2 Ų150.284%0.83878%0.777SS**  trans-54.5100157.4-80.1152.6000107.8S330S330-L332 PolarHBondContact O-N 3.36Å; S330-L332 VanDerWaalsContact O-N 3.08Å
333L28Very low28.5Very low135 Ų135148.6 Ų148.671%0.70778%0.777SS**  trans-86.2114.1163.8-88102.3000108.5L331L331-L333 HydrophobicContact CB-CD1 4.28Å; L331-L333 PolarHBondContact O-N 3.39Å
334C26.7Very low28.6Very low100 Ų100148.3 Ų148.368%0.67678%0.775SS**  trans-55.2142.2170.7-62.90000111.8T336C334-T336 PolarHBondContact O-N 2.96Å
335P30.6Very low28.9Very low133 Ų133151.6 Ų151.686%0.86478%0.784SS**  trans-73.791.616430.9-29.1000108.6N337P335-N337 PolarHBondContact O-N 2.84Å
336T27.4Very low28.9Very low123 Ų123154.5 Ų154.576%0.75579%0.794SS**  trans-84.490163.735.10000108C334C334-T336 PolarHBondContact O-N 2.96Å
337N29.2Very low29.3Very low166 Ų166151.9 Ų151.989%0.88879%0.79SS**  trans-161.459.4158-87.3-25.7000107.9P335P335-N337 PolarHBondContact O-N 2.84Å
338Q29.8Very low29.6Very low173 Ų173151 Ų15181%0.80879%0.794SS**  trans-126.4111.1151.6-80.5-176.2-800105.6L340Q338-L340 VanDerWaalsContact C-N 3.26Å; Q338-L340 PolarHBondContact O-N 3.04Å
339Q26.7Very low29.8Very low192 Ų192149.2 Ų149.290%0.89779%0.794SS**  trans-63.595.3166.8-170.7147.9-300105.9D341Q339-D341 PolarHBondContact O-N 2.93Å
340L29.4Very low30.2Very low138 Ų138147.9 Ų147.972%0.72380%0.801SS**  trans-73.4101.2165.7-80.4160.2000105.7Q338 I342Q338-L340 VanDerWaalsContact C-N 3.26Å; Q338-L340 PolarHBondContact O-N 3.04Å; L340-I342 HydrophobicContact CB-CG1 4.17Å; L340-I342 PolarHBondContact O-N 3.03Å
341D27.6Very low30.5Very low152 Ų152150.3 Ų150.381%0.81381%0.805SS**  trans-60.797.3150.9-102.5-21.3000106.2Q339 D343Q339-D341 PolarHBondContact O-N 2.93Å; D341-D343 PolarHBondContact O-N 3.23Å
342I30.6Very low30.9Very low140 Ų140149.1 Ų149.172%0.71881%0.808SS**  trans-83.291.5165.3-63.9167.4000104L340L340-I342 HydrophobicContact CB-CG1 4.17Å; L340-I342 PolarHBondContact O-N 3.03Å
343D27.4Very low31.4Very low155 Ų155145.9 Ų145.983%0.82980%0.799SS**  trans-177.759.8161.2-87.6-23.5000110.5D341D341-D343 PolarHBondContact O-N 3.23Å
344S30.6Very low32Very low102 Ų102147 Ų14771%0.71380%0.8SS**  trans-169.565.4162.3-144.70000114.3
345F31.2Very low32.5Very low216 Ų216149 Ų14995%0.94780%0.8SS**  trans-153.371.6158.1-84.3-68.7000110
346N31.2Very low33Very low164 Ų164149.5 Ų149.588%0.87779%0.79SS**  trans-133.987160.4-101.2-10000106.2
347E35.6Very low33.7Very low167 Ų167149.8 Ų149.878%0.7879%0.787SS**  trans-153.7103.6159.3-131.4165.9-168.700112.1
348M35.6Very low34.1Very low158 Ų158148.5 Ų148.578%0.77878%0.78SS**  trans61.4105.1138.6-61-164.6-119.300119.9
349N33.7Very low34.7Very low163 Ų163148 Ų14887%0.87278%0.778SS**  trans-39.1134.8137.4-79.9-19.5000111.6
350S38.5Very low35.4Very low118 Ų118145.5 Ų145.583%0.82577%0.766SS**  trans-164.6121.3140-73.90000109.5
351D34.9Very low35.8Very low163 Ų163144.7 Ų144.787%0.87276%0.762SS**  trans-53.4146.7169.1-68.6-57.9000112.9
352S37.3Very low36.3Very low113 Ų113144.1 Ų144.179%0.7976%0.759SS**  174.9128.4119.144.40000113.4
353S37Very low36.7Very low93 Ų93144.5 Ų144.565%0.6576%0.757SS**  trans-17.3163.4154.755.80000122.4
354H41.9Very low37.2Very low157 Ų157145 Ų14573%0.72775%0.754SS**  trans79.6141.9159.7-70.8-79.4000115
355E37Very low37.4Very low144 Ų144145 Ų14567%0.67375%0.754SS**  cis-173.5156.6-4.5-124.7173.2142.100106.4
356H41.1Very low37.5Very low143 Ų143142.2 Ų142.266%0.66275%0.75SS**  trans54.2128.1144.6-83.8-67.7000124.3
357D40.7Very low37.7Very low128 Ų128143.4 Ų143.468%0.68475%0.747SS**  trans91.8104.9133-62-17.5000122.4
358N37.7Very low37.4Very low139 Ų139145.9 Ų145.974%0.74375%0.751SS**  12.8123129.4-70.2-31.6000118.7
359H42.4Very low37.2Very low164 Ų164144.4 Ų144.476%0.75975%0.75SS**  178.3136.6108-100.1-57.6000114.2
360H42.8Very low37.2Very low139 Ų139141.7 Ų141.764%0.64474%0.744SS**  trans55.2122.5139.8-76-48.4000123.9
361N37.6Very low36.7Very low121 Ų121142.8 Ų142.865%0.64774%0.741SS**  62111.2126.3-58.4-5.6000118.9
362N37Very low36.7Very low139 Ų139140.2 Ų140.274%0.74373%0.733SS**  165.5132.6101.3-88.5-35.2000113.4
363H40.6Very low36.4Very low149 Ų149140 Ų14069%0.6973%0.727SS**  trans43.6126.6137.5-75.7-72.7000123.2
364H37.1Very low36.1Very low164 Ų164142.5 Ų142.576%0.75973%0.731SS**  trans60.8108.4136.8-73.2-65.5000120.1
365S34Very low35.5Very low103 Ų103142.5 Ų142.572%0.7274%0.736SS**  165.5104.1102.5-80.40000111.7K367S365-K367 PolarHBondContact O-N 3.46Å
366N33.8Very low35.2Very low158 Ų158145.4 Ų145.485%0.84574%0.742SS**  trans-82.595.8158.8-87-17.3000108.8
367K35.6Very low34.6Very low188 Ų188143.5 Ų143.582%0.81775%0.752SS**  trans-88.7101.7160.6-90.1-178.4177.1175.10108.4S365 V369S365-K367 PolarHBondContact O-N 3.46Å; K367-V369 PolarHBondContact O-N 2.92Å
368Y30.2Very low34.1Very low219 Ų219145.4 Ų145.486%0.85976%0.756SS**  trans-67.9106.8160.7-88.4-87.7000108.5S370Y368-S370 PolarHBondContact O-N 2.9Å
369V31.5Very low33.8Very low128 Ų128147.6 Ų147.678%0.77676%0.762SS**  trans-77.9107.2167.9175.70000107.8K367 N371K367-V369 PolarHBondContact O-N 2.92Å; V369-N371 PolarHBondContact O-N 3.16Å
370S32.3Very low33.2Very low106 Ų106146.7 Ų146.774%0.74176%0.761SS**  trans-67.2119164.441.10000109.7Y368 P372Y368-S370 PolarHBondContact O-N 2.9Å; S370-P372 WeakPolarHBondContact O-CD 3.49Å
371N28.8Very low32.7Very low140 Ų140147 Ų14775%0.74977%0.767SS**  trans-100.1110.9171.2-157.71.1000108.9V369V369-N371 PolarHBondContact O-N 3.16Å
372P34.5Very low32.4Very low110 Ų110149.3 Ų149.371%0.71477%0.773SS**  trans-98.587.7170.434.7-25.2000109.5S370 I374S370-P372 WeakPolarHBondContact O-CD 3.49Å; P372-I374 VanDerWaalsContact C-N 3.31Å; P372-I374 PolarHBondContact O-N 3.09Å
373T30.7Very low32.2Very low109 Ų109149.7 Ų149.767%0.66978%0.775SS**  trans-79.684.8165.3-42.30000108.7
374I30.7Very low31.8Very low144 Ų144149.5 Ų149.574%0.73878%0.779SS**  trans-121.582.8157.2-57.8179.1000105.9P372 Y376P372-I374 VanDerWaalsContact C-N 3.31Å; P372-I374 PolarHBondContact O-N 3.09Å; I374-Y376 PolarHBondContact O-N 3.3Å
375L29.4Very low31.7Very low158 Ų158148.5 Ų148.583%0.82778%0.779SS**  trans-76.2108.8164.7-92.4160.8000107.8A377L375-A377 PolarHBondContact O-N 3.08Å; L375-A377 VanDerWaalsContact O-N 3.13Å
376Y30.4Very low31.7Very low204 Ų204150.2 Ų150.280%0.878%0.779SS**  trans-54.1107.1158.1-97.2-104.6000108.9I374 Q378I374-Y376 PolarHBondContact O-N 3.3Å; Y376-Q378 PolarHBondContact O-N 3.1Å
377A29.2Very low31.7Very low104 Ų104149.2 Ų149.286%0.8677%0.774SS**  trans-84.384.6160.800000108.1L375L375-A377 PolarHBondContact O-N 3.08Å; L375-A377 VanDerWaalsContact O-N 3.13Å
378Q30.7Very low31.5Very low168 Ų168146.9 Ų146.979%0.78578%0.775SS**  trans-87.6100.9157.9-135.4174.7400105.8Y376 I380Y376-Q378 PolarHBondContact O-N 3.1Å; Q378-I380 PolarHBondContact O-N 3.07Å
379Q30Very low31.8Very low185 Ų185145.3 Ų145.386%0.86477%0.773SS**  trans-66.6103.2178-143.1169.91.800107.6I381Q379-I381 PolarHBondContact O-N 2.87Å; Q379-I381 VanDerWaalsContact O-N 3.15Å
380I31.1Very low32.4Very low145 Ų145150 Ų15074%0.74479%0.792SS**  trans-59.5109.1170.1-66.1168.9000106.7Q378 Q382Q378-I380 PolarHBondContact O-N 3.07Å; I380-Q382 VanDerWaalsContact C-N 3.3Å; I380-Q382 HydrophobicContact CG2-CG 4Å; I380-Q382 PolarHBondContact O-N 2.73Å; I380-Q382 VanDerWaalsContact O-N 3.13Å
381I32.1Very low32.4Very low146 Ų146152.3 Ų152.375%0.74979%0.794SS**  trans-73.994.8159.7-65.6172.8000105.1Q379 N383Q379-I381 PolarHBondContact O-N 2.87Å; Q379-I381 VanDerWaalsContact O-N 3.15Å; I381-N383 HydrophobicContact CG2-CB 4.18Å; I381-N383 PolarHBondContact O-N 3Å
382Q30.2Very low32.6Very low169 Ų169152.9 Ų152.979%0.7980%0.796SS**  trans-68.6100.3154.7-79.7-171.7-27.800106.7I380I380-Q382 VanDerWaalsContact C-N 3.3Å; I380-Q382 HydrophobicContact CG2-CG 4Å; I380-Q382 PolarHBondContact O-N 2.73Å; I380-Q382 VanDerWaalsContact O-N 3.13Å
383N34.1Very low32.5Very low147 Ų147155.3 Ų155.379%0.78680%0.801SS**  trans-123.5113.8153.6-97.9-12000107.6I381I381-N383 HydrophobicContact CG2-CB 4.18Å; I381-N383 PolarHBondContact O-N 3Å
384N30.9Very low32.6Very low144 Ų144158 Ų15877%0.7781%0.809SS**  trans-49.1133.3171.7-64.6-34000111.1
385N35.9Very low32.7Very low143 Ų143158.9 Ų158.977%0.76581%0.813SS**  trans154.590.4150.3-78.7-11.6000106.7
386I34.4Very low32.9Very low140 Ų140158.9 Ų158.972%0.71881%0.812SS**  55.288.590.9-58.3172.6000111.1
387N33Very low33.1Very low137 Ų137155.7 Ų155.773%0.73381%0.813SS**  160.3101.6119.8-86.9-26.1000109.9
388V31.5Very low33.4Very low138 Ų138159.7 Ų159.784%0.83681%0.81SS**  trans-99.2114.3153.3174.40000105.6
389F36.8Very low33.7Very low186 Ų186159 Ų15982%0.81681%0.812SS**  trans-124.3113.8156.9-101.9-86000106.6
390I43.9Very low34Very low228 Ų228156.6 Ų156.6100%1.16981%0.807SS**  trans67.80166.7-44.6177.3000116.6

Retrieved 390 of 390 residues in 378 ms (Link to these results)