A0A077ZA10_TRITR Loading...

Metaxin 2

AlphaFold DB , UniProt , Accession A0A077ZA10, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 265 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M53.5Low43.6Very low28 Ų28106.6 Ų106.614%0.13852%0.519CS..  0-49.40-164.7166.4-171.600113.3F89 E90 V93 V118 P213M1-F89 HydrophobicContact CE-CD1 4.39Å; M1-F89 HydrophobicContact CE-CE1 3.61Å; M1-F89 HydrophobicContact CE-CZ 4.09Å; M1-E90 WeakPolarHBondContact CA-OE1 3.48Å; M1-E90 HydrophobicContact CB-CG 3.84Å; M1-E90 HydrophobicContact CG-CG 3.7Å; M1-E90 PolarHBondContact N-OE1 2.98Å; M1-E90 HydrophobicContact SD-CG 4.42Å; M1-V93 HydrophobicContact CE-CB 3.29Å; M1-V93 HydrophobicContact CE-CG1 3.35Å; M1-V93 HydrophobicContact CE-CG2 3.45Å; M1-V93 VanDerWaalsContact CE-CG2 3.45Å; M1-V118 HydrophobicContact SD-CG1 4.21Å; M1-V118 HydrophobicContact SD-CG2 4.09Å; M1-P213 HydrophobicContact CE-CB 3.74Å
2F50.3Low43.1Very low40 Ų40108 Ų10818%0.17554%0.543CS..  trans-115.84.5-170.1-53.8-69.8000115.3R4 V93 V97 L104 M111 M114 E115 P213F2-R4 PolarHBondContact O-N 3.14Å; F2-V93 HydrophobicContact CE1-CG1 3.98Å; F2-V93 HydrophobicContact CZ-CG1 4.32Å; F2-V97 HydrophobicContact CE1-CG2 4.4Å; F2-L104 HydrophobicContact CD1-CD1 3.75Å; F2-L104 HydrophobicContact CE1-CD1 3.25Å; F2-L104 HydrophobicContact CZ-CD1 3.67Å; F2-M111 HydrophobicContact CB-CE 4.08Å; F2-M111 HydrophobicContact CB-SD 3.76Å; F2-M111 HydrophobicContact CD1-CE 4.39Å; F2-M111 HydrophobicContact CD1-SD 4.37Å; F2-M111 HydrophobicContact CD2-CE 4.2Å; F2-M111 HydrophobicContact CD2-CG 4.49Å; F2-M111 HydrophobicContact CD2-SD 3.18Å; F2-M111 WeakPolarHBondContact CD2-SD 3.3Å; F2-M111 HydrophobicContact CE2-SD 3.79Å; F2-M111 HydrophobicContact CG-CE 3.96Å; F2-M111 HydrophobicContact CG-SD 3.5Å; F2-M111 VanDerWaalsContact CG-SD 3.5Å; F2-M114 HydrophobicContact CE2-SD 3.8Å; F2-M114 HydrophobicContact CZ-SD 4.06Å; F2-E115 HydrophobicContact CD2-CG 3.96Å; F2-E115 PolarHBondContact N-OE1 2.81Å; F2-P213 HydrophobicContact CZ-CG 4.35Å
3K47.1Very low42.5Very low167 Ų167112.2 Ų112.273%0.72656%0.563SS**  trans-64.5117.4170.5-74.4-173178178.40111.2N5 R94K3-N5 PolarHBondContact O-N 3.34Å; K3-R94 PolarHBondContact O-NH2 3.06Å
4R37.6Very low42.2Very low201 Ų201110.9 Ų110.976%0.75857%0.569SS**  trans-52.9127.6168.9-161.1-179.7-160.5149.47.5109.4F2 D9F2-R4 PolarHBondContact O-N 3.14Å; R4-D9 IonicContact NE-OD1 3.12Å
5N42.7Very low41.7Very low64 Ų64117.1 Ų117.134%0.34259%0.59SS.*  trans-87115.5177.5-145.1-17.5000109.5K3 A7 W8K3-N5 PolarHBondContact O-N 3.34Å; N5-A7 PolarHBondContact O-N 2.81Å; N5-W8 HydrophobicContact CB-CG 4.34Å; N5-W8 PolarHBondContact O-N 2.86Å; N5-W8 VanDerWaalsContact O-N 3.14Å
6E44.2Very low41.8Very low164 Ų164113.8 Ų113.877%0.76658%0.582SS**Hα-helixtrans-62.8-24.7175.7-63.6-179.2168.200112W8 D9E6-W8 PolarHBondContact O-N 3.22Å; E6-D9 WeakPolarHBondContact O-CB 3.31Å; E6-D9 PolarHBondContact O-N 2.9Å; E6-D9 VanDerWaalsContact O-N 3.14Å
7A42.4Very low42.1Very low61 Ų61117.1 Ų117.150%0.50460%0.6SS.*Hα-helixtrans-60.3-28.217600000113.1N5 S10N5-A7 PolarHBondContact O-N 2.81Å; A7-S10 PolarHBondContact O-OG 2.94Å
8W39.4Very low42.9Very low157 Ų157119.6 Ų119.660%0.59561%0.609SS**Hα-helixtrans-87.6-18.8179.2-68.869.3000112.9N5 E6 S10 L11N5-W8 HydrophobicContact CB-CG 4.34Å; N5-W8 PolarHBondContact O-N 2.86Å; N5-W8 VanDerWaalsContact O-N 3.14Å; E6-W8 PolarHBondContact O-N 3.22Å; W8-S10 PolarHBondContact O-N 2.94Å; W8-L11 HydrophobicContact CE3-CD1 3.94Å; W8-L11 HydrophobicContact CZ3-CD1 4.32Å; W8-L11 PolarHBondContact O-N 2.88Å
9D46Very low44Very low94 Ų94124 Ų12450%0.50362%0.623SS.*Hα-helixtrans-69.2-20.8172.2-66-36.3000111.7R4 E6 L11R4-D9 IonicContact NE-OD1 3.12Å; E6-D9 WeakPolarHBondContact O-CB 3.31Å; E6-D9 PolarHBondContact O-N 2.9Å; E6-D9 VanDerWaalsContact O-N 3.14Å; D9-L11 VanDerWaalsContact C-N 3.34Å
10S42Very low45.7Very low99 Ų99124.6 Ų124.669%0.69262%0.622SS**THydrogen-bonded Turntrans-79.2-14.1175.975.90000114.1A7 W8A7-S10 PolarHBondContact O-OG 2.94Å; W8-S10 PolarHBondContact O-N 2.94Å
11L34.6Very low47.8Very low98 Ų98126.9 Ų126.951%0.51363%0.628SS.*SBendtrans-81.5129.8173.1-77.6161.6000108.8W8 D9 M13W8-L11 HydrophobicContact CE3-CD1 3.94Å; W8-L11 HydrophobicContact CZ3-CD1 4.32Å; W8-L11 PolarHBondContact O-N 2.88Å; D9-L11 VanDerWaalsContact C-N 3.34Å; L11-M13 PolarHBondContact O-N 3.23Å
12P37Very low49.6Very low123 Ų123126.8 Ų126.880%0.79963%0.626SS**  trans-5811218022.3-31000109.1S14P12-S14 PolarHBondContact O-N 3.3Å
13M35.6Very low51.7Low163 Ų163126 Ų12680%0.80362%0.623SS**  trans-57.8105170.2-73.9-142.172.200107.7L11 K15L11-M13 PolarHBondContact O-N 3.23Å; M13-K15 VanDerWaalsContact C-N 3.35Å; M13-K15 PolarHBondContact O-N 3.09Å
14S38.8Very low53.8Low93 Ų93121.2 Ų121.265%0.6562%0.615SS**  trans-53.5103.3164.4170.50000107.3P12 S16P12-S14 PolarHBondContact O-N 3.3Å; S14-S16 PolarHBondContact O-N 3.2Å; S14-S16 PolarHBondContact OG-OG 3.12Å
15K34.9Very low56.5Low205 Ų205117.7 Ų117.789%0.89161%0.612SS**  trans-70.757.1171.4-73.5-174.8174.2-178.80110.3M13M13-K15 VanDerWaalsContact C-N 3.35Å; M13-K15 PolarHBondContact O-N 3.09Å
16S42.4Very low59Low64 Ų64114.7 Ų114.745%0.44860%0.595SS.*  trans-98.5100.8162.360.80000106.8S14 H18S14-S16 PolarHBondContact O-N 3.2Å; S14-S16 PolarHBondContact OG-OG 3.12Å; S16-H18 PolarHBondContact O-N 2.78Å
17D47.3Very low61.5Low169 Ų169111.5 Ų111.590%0.90458%0.576SS**  trans-62.117.5176-91.8-30.6000114.4K19D17-K19 PolarHBondContact O-N 3.17Å; D17-K19 VanDerWaalsContact O-N 3.14Å
18H57.1Low64.1Low162 Ų162108.6 Ų108.675%0.7555%0.552SS**  trans-75.1102.4166.3-62-57000107.6S16 K20S16-H18 PolarHBondContact O-N 2.78Å; H18-K20 PolarHBondContact O-N 2.79Å
19K62.3Low66.7Low204 Ų204101.1 Ų101.189%0.88752%0.524SS*.  trans-45.3115.4162.7-79.7-173.4176.8-176.60107.2D17 K21D17-K19 PolarHBondContact O-N 3.17Å; D17-K19 VanDerWaalsContact O-N 3.14Å; K19-K21 PolarHBondContact O-N 3.2Å
20K79Confident69Low136 Ų13697.6 Ų97.659%0.59151%0.505SS*.PPolyproline II helixtrans-56.9130177.7-72.4-178.1-178.5179.40107H18 Q99 F101H18-K20 PolarHBondContact O-N 2.79Å; K20-Q99 VanDerWaalsContact CD-OE1 3.24Å; K20-F101 HydrophobicContact CB-CE1 3.83Å; K20-F101 HydrophobicContact CB-CZ 3.98Å; K20-F101 VanDerWaalsContact O-CE1 3.26Å; K20-F101 WeakPolarHBondContact O-CE1 3.26Å
21K88.7Confident71.2Confident173 Ų17394 Ų9475%0.75248%0.479SS*.PPolyproline II helixtrans-85.6143.9173.7-170.2179.6174.9-175.80108K19 H82 F101K19-K21 PolarHBondContact O-N 3.2Å; K21-H82 PolarHBondContact O-CE1 3.18Å; K21-F101 VanDerWaalsContact C-CE1 3.48Å; K21-F101 WeakPolarHBondContact O-CE1 3.23Å
22W93.4Very high73.6Confident25 Ų2593.4 Ų93.410%0.09547%0.473CS..PPolyproline II helixtrans-63.2146171.8179.9-95.4000110.8A24 A26 L52 L57 P58 L79 F95 F101W22-A24 PolarHBondContact O-N 2.79Å; W22-A26 HydrophobicContact CZ2-CB 3.7Å; W22-L52 HydrophobicContact CH2-CD2 3.72Å; W22-L52 HydrophobicContact CZ2-CD2 3.97Å; W22-L57 HydrophobicContact CB-CD2 4.22Å; W22-L57 HydrophobicContact CD2-CB 4.08Å; W22-L57 HydrophobicContact CD2-CD1 4.3Å; W22-L57 HydrophobicContact CD2-CD2 3.73Å; W22-L57 HydrophobicContact CD2-CG 4.24Å; W22-L57 HydrophobicContact CE3-CD1 3.96Å; W22-L57 HydrophobicContact CE3-CD2 3.9Å; W22-L57 HydrophobicContact CE3-CG 4.35Å; W22-L57 HydrophobicContact CG-CD2 3.87Å; W22-L57 HydrophobicContact CH2-CB 4.34Å; W22-L57 HydrophobicContact CH2-CD1 3.91Å; W22-L57 HydrophobicContact CZ2-CB 3.86Å; W22-L57 HydrophobicContact CZ2-CD1 4.28Å; W22-L57 HydrophobicContact CZ3-CD1 3.75Å; W22-P58 VanDerWaalsContact CD1-CD 3.47Å; W22-P58 PolarHBondContact NE1-O 3.4Å; W22-L79 HydrophobicContact CH2-CD1 4.32Å; W22-L79 HydrophobicContact CH2-CD2 3.8Å; W22-L79 HydrophobicContact CZ2-CD1 4.39Å; W22-F95 HydrophobicContact CZ3-CE1 4.17Å; W22-F101 HydrophobicContact CB-CD1 4.24Å; W22-F101 HydrophobicContact CB-CE1 4.44Å; W22-F101 HydrophobicContact CE3-CB 4.08Å; W22-F101 HydrophobicContact CE3-CD1 4.28Å; W22-F101 AromaticContact CE3-CD2 3.52Å; W22-F101 HydrophobicContact CE3-CD2 3.52Å; W22-F101 AromaticContact CE3-CE2 3.93Å; W22-F101 HydrophobicContact CE3-CE2 3.93Å; W22-F101 AromaticContact CE3-CG 3.72Å; W22-F101 HydrophobicContact CE3-CG 3.72Å; W22-F101 HydrophobicContact CE3-CZ 4.47Å; W22-F101 AromaticContact CZ3-CD2 3.8Å; W22-F101 HydrophobicContact CZ3-CD2 3.8Å; W22-F101 HydrophobicContact CZ3-CE2 4.25Å; W22-F101 HydrophobicContact CZ3-CG 4.36Å
23D92.8Very high75.1Confident23 Ų2389.4 Ų89.412%0.12345%0.453CS..  trans-73.4112.5177.7-169.7-6.7000109.8D25 A26 S81 H82D23-D25 PolarHBondContact O-N 2.86Å; D23-D25 PolarHBondContact OD1-N 3.38Å; D23-A26 HydrophobicContact CB-CB 4.15Å; D23-A26 VanDerWaalsContact O-CB 3.31Å; D23-A26 WeakPolarHBondContact O-CB 3.24Å; D23-A26 PolarHBondContact O-N 3.36Å; D23-A26 VanDerWaalsContact O-N 3.09Å; D23-S81 WeakPolarHBondContact CB-OG 3.35Å; D23-S81 WeakPolarHBondContact OD2-CA 3.4Å; D23-H82 WeakPolarHBondContact CA-CE1 3.17Å; D23-H82 WeakPolarHBondContact CB-CE1 3.21Å; D23-H82 WeakPolarHBondContact CB-ND1 3.46Å; D23-H82 PolarHBondContact N-CE1 3.27Å; D23-H82 PolarHBondContact OD2-N 3.25Å
24A91.7Very high76.6Confident67 Ų6783.7 Ų83.755%0.55443%0.432SS*.THydrogen-bonded Turntrans-62.7-25.6177.400000112.1W22W22-A24 PolarHBondContact O-N 2.79Å
25D93.5Very high77.9Confident128 Ų12887 Ų8768%0.68444%0.437SS*.THydrogen-bonded Turntrans-98.119178.6-61.3-40.8000112D23 R27D23-D25 PolarHBondContact O-N 2.86Å; D23-D25 PolarHBondContact OD1-N 3.38Å; D25-R27 VanDerWaalsContact O-CG 3.32Å; D25-R27 WeakPolarHBondContact O-CG 3.44Å; D25-R27 PolarHBondContact O-N 3.5Å
26A96.5Very high79.7Confident0 Ų080.9 Ų80.90%041%0.412CS..  trans-53136.3177.800000111W22 D23 H59 T60 L79 L80W22-A26 HydrophobicContact CZ2-CB 3.7Å; D23-A26 HydrophobicContact CB-CB 4.15Å; D23-A26 VanDerWaalsContact O-CB 3.31Å; D23-A26 WeakPolarHBondContact O-CB 3.24Å; D23-A26 PolarHBondContact O-N 3.36Å; D23-A26 VanDerWaalsContact O-N 3.09Å; A26-H59 HydrophobicContact CB-CB 4.2Å; A26-H59 CarbonylContact O-C 3.59Å; A26-H59 WeakPolarHBondContact O-CA 3.41Å; A26-T60 PolarHBondContact O-N 3.49Å; A26-L79 HydrophobicContact CB-CD1 4.24Å; A26-L80 WeakPolarHBondContact CA-O 3.41Å
27R96.5Very high81.8Confident97 Ų9778 Ų7837%0.36639%0.392SS..EExtended strand (participates in β ladder)trans-121.2127.2-179.1-58.5-174.5-77.3167.3-13110.6D25 T60 E62 L79 L80D25-R27 VanDerWaalsContact O-CG 3.32Å; D25-R27 WeakPolarHBondContact O-CG 3.44Å; D25-R27 PolarHBondContact O-N 3.5Å; R27-T60 CarbonylContact C-O 3.51Å; R27-T60 WeakPolarHBondContact CA-O 3.48Å; R27-T60 WeakPolarHBondContact CG-OG1 3.45Å; R27-E62 WeakPolarHBondContact CD-OE2 3.37Å; R27-E62 IonicContact CZ-OE2 3.49Å; R27-E62 IonicContact NE-OE2 3.9Å; R27-E62 IonicContact NH1-OE2 3.98Å; R27-E62 PolarHBondContact NH1-OE2 2.97Å; R27-L79 WeakPolarHBondContact O-CA 3.26Å; R27-L80 HydrophobicContact CB-CB 4.39Å; R27-L80 PolarHBondContact N-O 2.71Å; R27-L80 PolarHBondContact O-N 2.84Å
28L96.4Very high83.9Confident0 Ų070.4 Ų70.40%035%0.351CS..EExtended strand (participates in β ladder)trans-97.5101.6171.4-165.569.8000108.4A48 R49 L52 T60 V61 E62 P77 L79 I92L28-A48 HydrophobicContact CD1-CB 4.46Å; L28-A48 HydrophobicContact CD2-CB 4.47Å; L28-R49 HydrophobicContact CD2-CB 3.87Å; L28-L52 HydrophobicContact CD1-CD1 4.22Å; L28-L52 HydrophobicContact CD2-CD1 4.37Å; L28-T60 PolarHBondContact N-O 3.13Å; L28-V61 WeakPolarHBondContact O-CA 3.26Å; L28-E62 PolarHBondContact O-N 3.05Å; L28-P77 HydrophobicContact CD1-CB 3.76Å; L28-P77 HydrophobicContact CD1-CG 3.65Å; L28-P77 HydrophobicContact CD2-CB 4.45Å; L28-P77 HydrophobicContact CD2-CG 4.31Å; L28-P77 HydrophobicContact CG-CB 3.9Å; L28-P77 HydrophobicContact CG-CG 4.11Å; L28-L79 HydrophobicContact CD1-CB 4.43Å; L28-I92 HydrophobicContact CD1-CD1 3.99Å
29I95Very high85.6Confident0 Ų063 Ų630%032%0.317CS..EExtended strand (participates in β ladder)trans-81.8129.1177.3-62175000109.2E62 R64 A67 I70 P77 V78 L80I29-E62 WeakPolarHBondContact CA-O 3.2Å; I29-E62 HydrophobicContact CG1-CB 4.35Å; I29-R64 HydrophobicContact CG2-CB 4.07Å; I29-R64 HydrophobicContact CG2-CG 4.05Å; I29-A67 HydrophobicContact CG2-CB 3.86Å; I29-I70 HydrophobicContact CD1-CD1 4.39Å; I29-I70 HydrophobicContact CD1-CG2 4.26Å; I29-I70 HydrophobicContact CG2-CD1 4.23Å; I29-P77 WeakPolarHBondContact O-CA 3.49Å; I29-P77 WeakPolarHBondContact O-CB 3.48Å; I29-V78 HydrophobicContact CB-CB 4.19Å; I29-V78 PolarHBondContact N-O 3.37Å; I29-V78 PolarHBondContact O-N 3.43Å; I29-L80 HydrophobicContact CD1-CD1 3.4Å; I29-L80 VanDerWaalsContact CD1-CD1 3.4Å; I29-L80 HydrophobicContact CD1-CG 3.85Å; I29-L80 HydrophobicContact CG1-CD1 4.32Å
30Q93.7Very high87.1Confident20 Ų2053.8 Ų53.89%0.09328%0.277CS..EExtended strand (participates in β ladder)trans-146.7166.8178.753.5170.969.700110.9C45 V61 E62 G63 R64 P77Q30-C45 HydrophobicContact CB-CB 4.14Å; Q30-C45 WeakPolarHBondContact CB-SG 3.35Å; Q30-V61 HydrophobicContact CG-CG1 3.64Å; Q30-E62 PolarHBondContact N-O 3.28Å; Q30-G63 CarbonylContact O-C 3.53Å; Q30-G63 WeakPolarHBondContact O-CA 3.11Å; Q30-R64 PolarHBondContact O-N 2.88Å; Q30-P77 HydrophobicContact CB-CB 4.48Å
31P88.8Confident87.9Confident24 Ų2448 Ų4816%0.15625%0.253CS..  trans-60.5158.4166.5-18.932.3000111.2G33 A37 A67 L76P31-G33 PolarHBondContact O-N 2.96Å; P31-G33 VanDerWaalsContact O-N 3.15Å; P31-A37 HydrophobicContact CB-CB 4.09Å; P31-A37 HydrophobicContact CG-CB 4.49Å; P31-A67 HydrophobicContact CG-CB 4.43Å; P31-L76 HydrophobicContact CG-CD1 3.56Å
32F84.4Confident88.1Confident86 Ų8641.9 Ų41.938%0.37723%0.225SC..SBendtrans-68.3109.8177.9-71.2-59000112Q36 G63 Q65F32-Q36 HydrophobicContact CB-CG 4.49Å; F32-Q36 VanDerWaalsContact O-CB 3.23Å; F32-Q36 WeakPolarHBondContact O-CB 3.39Å; F32-G63 WeakPolarHBondContact CE1-O 3.32Å; F32-G63 WeakPolarHBondContact CZ-O 3.41Å; F32-Q65 HydrophobicContact CD2-CG 3.87Å; F32-Q65 HydrophobicContact CE2-CG 3.42Å; F32-Q65 VanDerWaalsContact CE2-CG 3.42Å
33G69Low88.3Confident38 Ų3840.7 Ų40.739%0.39222%0.22SC..Hα-helixtrans55.4175.5165.900000117.2P31 E35 A37P31-G33 PolarHBondContact O-N 2.96Å; P31-G33 VanDerWaalsContact O-N 3.15Å; G33-E35 VanDerWaalsContact C-N 3.29Å; G33-E35 PolarHBondContact O-N 2.76Å; G33-A37 VanDerWaalsContact O-CB 3.26Å; G33-A37 WeakPolarHBondContact O-CB 3.38Å; G33-A37 PolarHBondContact O-N 2.87Å; G33-A37 VanDerWaalsContact O-N 3.15Å
34A66.2Low88.4Confident43 Ų4341.1 Ų41.136%0.35522%0.222SC..Hα-helixtrans-71.4-23.2179.400000113.4Y42 R147A34-Y42 HydrophobicContact CB-CD1 4.42Å; A34-Y42 HydrophobicContact CB-CD2 4.26Å; A34-Y42 HydrophobicContact CB-CE1 3.98Å; A34-Y42 HydrophobicContact CB-CE2 3.8Å; A34-R147 PolarHBondContact O-NH1 3.24Å
35E67.4Low88.7Confident162 Ų16238 Ų3876%0.75720%0.196SC*.Hα-helixtrans-73.6-30-177.9-64.7-177.5-178.600112.5G33 R147G33-E35 VanDerWaalsContact C-N 3.29Å; G33-E35 PolarHBondContact O-N 2.76Å; E35-R147 WeakPolarHBondContact O-CD 3.46Å; E35-R147 PolarHBondContact O-NE 2.91Å; E35-R147 VanDerWaalsContact O-NE 3.12Å; E35-R147 PolarHBondContact O-NH1 2.98Å
36Q72.5Confident88.8Confident77 Ų7732.5 Ų32.536%0.3617%0.167SC..Hα-helixtrans-107.5-30.2-176.3-46.7-173.7-17.600113.1F32 F151F32-Q36 HydrophobicContact CB-CG 4.49Å; F32-Q36 VanDerWaalsContact O-CB 3.23Å; F32-Q36 WeakPolarHBondContact O-CB 3.39Å; Q36-F151 HydrophobicContact CB-CZ 3.92Å; Q36-F151 HydrophobicContact CG-CZ 4.3Å; Q36-F151 VanDerWaalsContact OE1-CZ 3.27Å
37A85.6Confident88.9Confident5 Ų532.5 Ų32.54%0.04117%0.167CC..SBendtrans-65.9147.6173.300000111.6P31 G33 Y42 R147P31-A37 HydrophobicContact CB-CB 4.09Å; P31-A37 HydrophobicContact CG-CB 4.49Å; G33-A37 VanDerWaalsContact O-CB 3.26Å; G33-A37 WeakPolarHBondContact O-CB 3.38Å; G33-A37 PolarHBondContact O-N 2.87Å; G33-A37 VanDerWaalsContact O-N 3.15Å; A37-Y42 HydrophobicContact CB-CD2 4.19Å; A37-Y42 HydrophobicContact CB-CG 4.41Å; A37-R147 PolarHBondContact O-NH1 3.11Å
38L92.2Very high88.9Confident8 Ų827.9 Ų27.94%0.04215%0.149CC..  trans-76.9153.4165.2-63.7178.9000109.2Y40 D41 Y42 W134 T144 R147 F148L38-Y40 VanDerWaalsContact C-N 3.32Å; L38-Y40 HydrophobicContact CB-CD1 4.14Å; L38-Y40 HydrophobicContact CB-CE1 3.62Å; L38-Y40 HydrophobicContact CD1-CE1 3.81Å; L38-Y40 WeakPolarHBondContact CD1-OH 3.45Å; L38-Y40 HydrophobicContact CG-CE1 4.35Å; L38-Y40 PolarHBondContact O-N 2.9Å; L38-D41 PolarHBondContact O-N 3.47Å; L38-Y42 WeakPolarHBondContact O-CB 3.5Å; L38-Y42 PolarHBondContact O-N 2.98Å; L38-W134 HydrophobicContact CD1-CZ2 3.73Å; L38-T144 HydrophobicContact CD1-CG2 3.99Å; L38-T144 HydrophobicContact CD2-CG2 3.85Å; L38-R147 HydrophobicContact CD2-CB 4.14Å; L38-F148 HydrophobicContact CD1-CB 4.32Å; L38-F148 HydrophobicContact CD1-CD2 3.85Å
39I92.6Very high89Confident6 Ų632.3 Ų32.33%0.03117%0.166CC..Hα-helixtrans-57-44-168.1-161.4174.1000112.6Y42 A43 E129 C133 T224 L225 T228 L230 L235I39-Y42 PolarHBondContact O-N 3.48Å; I39-A43 WeakPolarHBondContact O-CB 3.21Å; I39-A43 PolarHBondContact O-N 2.84Å; I39-E129 HydrophobicContact CG2-CB 3.97Å; I39-E129 HydrophobicContact CG2-CG 4.24Å; I39-C133 VanDerWaalsContact CG2-SG 3.54Å; I39-T224 HydrophobicContact CB-CG2 4.46Å; I39-T224 HydrophobicContact CD1-CG2 4.2Å; I39-T224 HydrophobicContact CG1-CG2 3.32Å; I39-T224 WeakPolarHBondContact O-CG2 3.41Å; I39-L225 HydrophobicContact CD1-CD2 4.13Å; I39-T228 HydrophobicContact CD1-CG2 3.93Å; I39-T228 HydrophobicContact CG1-CG2 4.2Å; I39-L230 HydrophobicContact CD1-CD1 4.19Å; I39-L235 HydrophobicContact CD1-CD1 3.82Å
40Y94.2Very high89.1Confident11 Ų1132.3 Ų32.34%0.04317%0.166CC..Hα-helixtrans-69-41.1-178.960.8-90.7000112.5L38 Y42 A43 E44 E129 L130 C133 W134L38-Y40 VanDerWaalsContact C-N 3.32Å; L38-Y40 HydrophobicContact CB-CD1 4.14Å; L38-Y40 HydrophobicContact CB-CE1 3.62Å; L38-Y40 HydrophobicContact CD1-CE1 3.81Å; L38-Y40 WeakPolarHBondContact CD1-OH 3.45Å; L38-Y40 HydrophobicContact CG-CE1 4.35Å; L38-Y40 PolarHBondContact O-N 2.9Å; Y40-Y42 VanDerWaalsContact C-N 3.34Å; Y40-A43 PolarHBondContact O-N 3.32Å; Y40-E44 WeakPolarHBondContact O-CG 3.46Å; Y40-E44 PolarHBondContact O-N 3.21Å; Y40-E129 WeakPolarHBondContact CA-OE2 3.32Å; Y40-L130 HydrophobicContact CD1-CD2 3.79Å; Y40-L130 HydrophobicContact CD1-CG 4.48Å; Y40-L130 HydrophobicContact CD2-CD2 3.78Å; Y40-L130 HydrophobicContact CE1-CD2 3.91Å; Y40-L130 HydrophobicContact CE2-CD2 3.9Å; Y40-L130 HydrophobicContact CG-CD2 3.74Å; Y40-L130 HydrophobicContact CG-CG 4.28Å; Y40-C133 HydrophobicContact CD1-CB 4.24Å; Y40-C133 HydrophobicContact CE1-CB 4.1Å; Y40-W134 AromaticContact CE1-NE1 3.39Å; Y40-W134 AromaticContact CZ-NE1 3.72Å; Y40-W134 PolarHBondContact OH-NE1 3.39Å
41D94.2Very high89.3Confident16 Ų1631.4 Ų31.49%0.08616%0.162CC..Hα-helixtrans-67.2-38.9176.4-70-44.2000110.8L38 C45 L76L38-D41 PolarHBondContact O-N 3.47Å; D41-C45 PolarHBondContact O-N 3.02Å; D41-C45 VanDerWaalsContact O-N 3.11Å; D41-C45 PolarHBondContact O-SG 3.14Å; D41-L76 HydrophobicContact CB-CD1 4Å
42Y94.5Very high89.8Confident43 Ų4330.3 Ų30.317%0.16916%0.155CC..Hα-helixtrans-65.6-43.6177.6-174.9-109.7000111.7A34 A37 L38 I39 Y40 E44 C45 V46 T224A34-Y42 HydrophobicContact CB-CD1 4.42Å; A34-Y42 HydrophobicContact CB-CD2 4.26Å; A34-Y42 HydrophobicContact CB-CE1 3.98Å; A34-Y42 HydrophobicContact CB-CE2 3.8Å; A37-Y42 HydrophobicContact CB-CD2 4.19Å; A37-Y42 HydrophobicContact CB-CG 4.41Å; L38-Y42 WeakPolarHBondContact O-CB 3.5Å; L38-Y42 PolarHBondContact O-N 2.98Å; I39-Y42 PolarHBondContact O-N 3.48Å; Y40-Y42 VanDerWaalsContact C-N 3.34Å; Y42-E44 PolarHBondContact O-N 3.48Å; Y42-C45 WeakPolarHBondContact O-CB 3.44Å; Y42-C45 PolarHBondContact O-N 3.37Å; Y42-V46 HydrophobicContact CD1-CG2 4.11Å; Y42-V46 HydrophobicContact CD2-CG2 4.41Å; Y42-V46 HydrophobicContact CE1-CG2 3.69Å; Y42-V46 HydrophobicContact CE2-CG2 4Å; Y42-V46 HydrophobicContact CG-CG2 4.46Å; Y42-V46 WeakPolarHBondContact O-CG2 3.36Å; Y42-V46 PolarHBondContact O-N 3.12Å; Y42-T224 HydrophobicContact CD1-CG2 3.74Å; Y42-T224 WeakPolarHBondContact CD1-OG1 3.5Å
43A96.3Very high90.4Very high0 Ų028.4 Ų28.40%015%0.148CC..Hα-helixtrans-57.5-47.5177.700000112.3I39 Y40 C45 V46 A47 H221 T224I39-A43 WeakPolarHBondContact O-CB 3.21Å; I39-A43 PolarHBondContact O-N 2.84Å; Y40-A43 PolarHBondContact O-N 3.32Å; A43-C45 VanDerWaalsContact C-N 3.34Å; A43-C45 PolarHBondContact O-N 3.21Å; A43-V46 PolarHBondContact O-N 3.02Å; A43-A47 WeakPolarHBondContact O-CB 3.34Å; A43-A47 PolarHBondContact O-N 3.14Å; A43-H221 WeakPolarHBondContact CB-ND1 3.37Å; A43-T224 WeakPolarHBondContact CA-OG1 3.44Å; A43-T224 HydrophobicContact CB-CG2 4.15Å
44E96.3Very high91.7Very high33 Ų3327.6 Ų27.615%0.15413%0.134CC..Hα-helixtrans-61.4-40.4175.5-72.5-70.315900112.3Y40 Y42 A47 A48 L76 F89 H221Y40-E44 WeakPolarHBondContact O-CG 3.46Å; Y40-E44 PolarHBondContact O-N 3.21Å; Y42-E44 PolarHBondContact O-N 3.48Å; E44-A47 PolarHBondContact O-N 3.21Å; E44-A48 PolarHBondContact O-N 3.23Å; E44-L76 WeakPolarHBondContact CB-O 3.39Å; E44-F89 WeakPolarHBondContact OE2-CB 3.11Å; E44-H221 IonicContact OE1-CE1 2.77Å; E44-H221 IonicContact OE1-NE2 3.25Å
45C96Very high93.1Very high2 Ų226.9 Ų26.91%0.01413%0.127CC..Hα-helixtrans-64-44.9176.5-66.80000112Q30 D41 Y42 A43 A47 R49 P77Q30-C45 HydrophobicContact CB-CB 4.14Å; Q30-C45 WeakPolarHBondContact CB-SG 3.35Å; D41-C45 PolarHBondContact O-N 3.02Å; D41-C45 VanDerWaalsContact O-N 3.11Å; D41-C45 PolarHBondContact O-SG 3.14Å; Y42-C45 WeakPolarHBondContact O-CB 3.44Å; Y42-C45 PolarHBondContact O-N 3.37Å; A43-C45 VanDerWaalsContact C-N 3.34Å; A43-C45 PolarHBondContact O-N 3.21Å; C45-A47 VanDerWaalsContact C-N 3.34Å; C45-R49 WeakPolarHBondContact O-CB 3.28Å; C45-R49 PolarHBondContact O-N 2.71Å; C45-P77 HydrophobicContact CB-CB 4.48Å
46V96.3Very high94.4Very high11 Ų1126 Ų267%0.06713%0.127CC..Hα-helixtrans-64-41.6176176.80000110.3Y42 A43 R49 T50 F219 F223Y42-V46 HydrophobicContact CD1-CG2 4.11Å; Y42-V46 HydrophobicContact CD2-CG2 4.41Å; Y42-V46 HydrophobicContact CE1-CG2 3.69Å; Y42-V46 HydrophobicContact CE2-CG2 4Å; Y42-V46 HydrophobicContact CG-CG2 4.46Å; Y42-V46 WeakPolarHBondContact O-CG2 3.36Å; Y42-V46 PolarHBondContact O-N 3.12Å; A43-V46 PolarHBondContact O-N 3.02Å; V46-R49 PolarHBondContact O-N 2.9Å; V46-T50 VanDerWaalsContact O-CB 3.28Å; V46-T50 WeakPolarHBondContact O-CB 3.44Å; V46-T50 PolarHBondContact O-N 2.77Å; V46-T50 PolarHBondContact O-OG1 3.28Å; V46-F219 HydrophobicContact CG1-CD1 3.92Å; V46-F219 HydrophobicContact CG1-CE1 3.54Å; V46-F219 HydrophobicContact CG1-CZ 4.49Å; V46-F223 HydrophobicContact CG1-CD1 4.49Å
47A98.1Very high95.5Very high0 Ų023 Ų230%011%0.114CC..Hα-helixtrans-58.7-51.3177.200000112A43 E44 C45 R49 T50 F51 F89 A216 L217A43-A47 WeakPolarHBondContact O-CB 3.34Å; A43-A47 PolarHBondContact O-N 3.14Å; E44-A47 PolarHBondContact O-N 3.21Å; C45-A47 VanDerWaalsContact C-N 3.34Å; A47-R49 PolarHBondContact O-N 2.8Å; A47-T50 WeakPolarHBondContact O-CB 3.39Å; A47-T50 PolarHBondContact O-N 2.84Å; A47-F51 PolarHBondContact O-N 3.34Å; A47-F89 HydrophobicContact CB-CD2 3.75Å; A47-F89 HydrophobicContact CB-CE2 4.04Å; A47-F89 HydrophobicContact CB-CG 4.33Å; A47-A216 WeakPolarHBondContact CA-O 3.36Å; A47-L217 HydrophobicContact CB-CD1 4.32Å
48A98Very high95.9Very high0 Ų026.1 Ų26.10%013%0.133CC..Hα-helixtrans-64.6-42.4-179.900000112.1L28 E44 T50 F51 L52 P77 F89 I92L28-A48 HydrophobicContact CD1-CB 4.46Å; L28-A48 HydrophobicContact CD2-CB 4.47Å; E44-A48 PolarHBondContact O-N 3.23Å; A48-T50 VanDerWaalsContact C-N 3.31Å; A48-T50 PolarHBondContact O-N 2.97Å; A48-F51 PolarHBondContact O-N 3.31Å; A48-L52 WeakPolarHBondContact O-CG 3.44Å; A48-L52 PolarHBondContact O-N 3.45Å; A48-P77 HydrophobicContact CB-CG 3.4Å; A48-P77 VanDerWaalsContact CB-CG 3.4Å; A48-F89 HydrophobicContact CB-CD2 4.14Å; A48-I92 HydrophobicContact CB-CD1 4.11Å
49R97.3Very high96.1Very high93 Ų9327.3 Ų27.335%0.35114%0.139SC..Hα-helixtrans-59.3-44.5175-178.1171.6176.4-153.9-3.8111.3L28 C45 V46 A47 F51 L52 L53 F257L28-R49 HydrophobicContact CD2-CB 3.87Å; C45-R49 WeakPolarHBondContact O-CB 3.28Å; C45-R49 PolarHBondContact O-N 2.71Å; V46-R49 PolarHBondContact O-N 2.9Å; A47-R49 PolarHBondContact O-N 2.8Å; R49-F51 VanDerWaalsContact C-N 3.35Å; R49-F51 PolarHBondContact O-N 3Å; R49-L52 PolarHBondContact O-N 2.8Å; R49-L53 HydrophobicContact CG-CD1 4.02Å; R49-L53 VanDerWaalsContact O-CG 3.28Å; R49-L53 WeakPolarHBondContact O-CG 3.29Å; R49-L53 PolarHBondContact O-N 2.94Å; R49-F257 HydrophobicContact CG-CE1 4.02Å; R49-F257 HydrophobicContact CG-CZ 4.29Å
50T98.2Very high96.3Very high0 Ų030.8 Ų30.80%016%0.161CC..Hα-helixtrans-61.6-44.4177.8-56.50000111.1V46 A47 A48 L52 L53 M54 A216 F219 I252 F257V46-T50 VanDerWaalsContact O-CB 3.28Å; V46-T50 WeakPolarHBondContact O-CB 3.44Å; V46-T50 PolarHBondContact O-N 2.77Å; V46-T50 PolarHBondContact O-OG1 3.28Å; A47-T50 WeakPolarHBondContact O-CB 3.39Å; A47-T50 PolarHBondContact O-N 2.84Å; A48-T50 VanDerWaalsContact C-N 3.31Å; A48-T50 PolarHBondContact O-N 2.97Å; T50-L52 PolarHBondContact O-N 2.99Å; T50-L53 PolarHBondContact O-N 2.77Å; T50-M54 HydrophobicContact CG2-CE 3.54Å; T50-M54 HydrophobicContact CG2-CG 4.27Å; T50-M54 HydrophobicContact CG2-SD 3.86Å; T50-M54 WeakPolarHBondContact O-CB 3.49Å; T50-M54 VanDerWaalsContact O-CG 3.26Å; T50-M54 WeakPolarHBondContact O-CG 3.39Å; T50-M54 PolarHBondContact O-N 3.25Å; T50-A216 HydrophobicContact CG2-CB 3.96Å; T50-F219 HydrophobicContact CG2-CD1 3.7Å; T50-F219 HydrophobicContact CG2-CE1 4.27Å; T50-F219 HydrophobicContact CG2-CG 4.36Å; T50-F219 WeakPolarHBondContact OG1-CD1 3.36Å; T50-F219 VanDerWaalsContact OG1-CE1 3.26Å; T50-F219 WeakPolarHBondContact OG1-CE1 3.39Å; T50-I252 HydrophobicContact CG2-CG2 3.65Å; T50-F257 HydrophobicContact CG2-CE2 4.38Å; T50-F257 WeakPolarHBondContact OG1-CE2 3.46Å; T50-F257 VanDerWaalsContact OG1-CZ 3.29Å; T50-F257 WeakPolarHBondContact OG1-CZ 3.36Å
51F98.2Very high96.3Very high2 Ų233.1 Ų33.11%0.00918%0.176CC..Hα-helixtrans-59.4-45.5176.4164.8-106.3000112.3A47 A48 R49 M54 S55 F89 I92 V93 A96 V102 P213 A216A47-F51 PolarHBondContact O-N 3.34Å; A48-F51 PolarHBondContact O-N 3.31Å; R49-F51 VanDerWaalsContact C-N 3.35Å; R49-F51 PolarHBondContact O-N 3Å; F51-M54 PolarHBondContact O-N 3Å; F51-S55 WeakPolarHBondContact CE2-OG 3.37Å; F51-S55 VanDerWaalsContact O-CB 3.28Å; F51-S55 WeakPolarHBondContact O-CB 3.3Å; F51-S55 PolarHBondContact O-N 3.44Å; F51-S55 PolarHBondContact O-OG 3.11Å; F51-F89 HydrophobicContact CB-CE2 3.93Å; F51-I92 HydrophobicContact CD1-CG2 4.27Å; F51-I92 HydrophobicContact CE1-CG2 4.33Å; F51-V93 HydrophobicContact CB-CG2 4.48Å; F51-V93 HydrophobicContact CD1-CG2 3.69Å; F51-V93 HydrophobicContact CD2-CG1 4.47Å; F51-V93 HydrophobicContact CD2-CG2 3.91Å; F51-V93 HydrophobicContact CE1-CB 4.19Å; F51-V93 HydrophobicContact CE1-CG1 4.41Å; F51-V93 HydrophobicContact CE1-CG2 3.81Å; F51-V93 HydrophobicContact CE2-CB 4.41Å; F51-V93 HydrophobicContact CE2-CG1 3.87Å; F51-V93 HydrophobicContact CE2-CG2 4.03Å; F51-V93 HydrophobicContact CG-CG2 3.73Å; F51-V93 HydrophobicContact CZ-CB 4.12Å; F51-V93 HydrophobicContact CZ-CG1 3.83Å; F51-V93 HydrophobicContact CZ-CG2 3.98Å; F51-A96 HydrophobicContact CE1-CB 3.81Å; F51-A96 HydrophobicContact CZ-CB 3.74Å; F51-V102 HydrophobicContact CE2-CG1 4.46Å; F51-V102 HydrophobicContact CE2-CG2 4.5Å; F51-V102 HydrophobicContact CZ-CG2 4Å; F51-P213 HydrophobicContact CD2-CB 4.14Å; F51-P213 HydrophobicContact CD2-CG 4.02Å; F51-P213 HydrophobicContact CE2-CB 4.4Å; F51-P213 HydrophobicContact CE2-CG 3.86Å; F51-A216 HydrophobicContact CB-CB 3.7Å
52L97.6Very high96.3Very high0 Ų034.9 Ų34.90%018%0.184CC..Hα-helixtrans-64.1-40.8178.2-66.2175.4000111.6W22 L28 A48 R49 T50 S55 N56 L57 H59 L79 I92W22-L52 HydrophobicContact CH2-CD2 3.72Å; W22-L52 HydrophobicContact CZ2-CD2 3.97Å; L28-L52 HydrophobicContact CD1-CD1 4.22Å; L28-L52 HydrophobicContact CD2-CD1 4.37Å; A48-L52 WeakPolarHBondContact O-CG 3.44Å; A48-L52 PolarHBondContact O-N 3.45Å; R49-L52 PolarHBondContact O-N 2.8Å; T50-L52 PolarHBondContact O-N 2.99Å; L52-S55 CarbonylContact O-C 3.59Å; L52-S55 PolarHBondContact O-N 2.64Å; L52-N56 PolarHBondContact O-N 3.41Å; L52-L57 HydrophobicContact CB-CB 4.44Å; L52-L57 HydrophobicContact CD2-CB 4.11Å; L52-L57 HydrophobicContact CD2-CD1 3.86Å; L52-L57 PolarHBondContact O-N 3.38Å; L52-H59 WeakPolarHBondContact CB-CE1 3.36Å; L52-H59 WeakPolarHBondContact CB-ND1 3.4Å; L52-H59 HydrophobicContact CD1-CB 4.2Å; L52-L79 HydrophobicContact CD1-CD1 4.41Å; L52-I92 HydrophobicContact CD2-CG2 4.35Å
53L97.2Very high96.1Very high47 Ų4734.1 Ų34.125%0.24619%0.189CC..Hα-helixtrans-64.8-47.6175.6-69.7168.9000112R49 T50 S55 N56 Y256 F257R49-L53 HydrophobicContact CG-CD1 4.02Å; R49-L53 VanDerWaalsContact O-CG 3.28Å; R49-L53 WeakPolarHBondContact O-CG 3.29Å; R49-L53 PolarHBondContact O-N 2.94Å; T50-L53 PolarHBondContact O-N 2.77Å; L53-S55 PolarHBondContact O-N 3.36Å; L53-N56 PolarHBondContact O-N 2.85Å; L53-Y256 HydrophobicContact CB-CD1 4.16Å; L53-Y256 HydrophobicContact CB-CG 4.43Å; L53-F257 HydrophobicContact CD1-CD1 4.18Å; L53-F257 HydrophobicContact CD1-CD2 4.45Å; L53-F257 HydrophobicContact CD1-CE1 3.82Å; L53-F257 HydrophobicContact CD1-CE2 4.1Å; L53-F257 HydrophobicContact CD1-CG 4.5Å; L53-F257 HydrophobicContact CD1-CZ 3.77Å
54M96.2Very high95.9Very high20 Ų2037.5 Ų37.510%0.09920%0.202CC..Hα-helixtrans-57.7-33.6175.5-74.7173169.300112.2T50 F51 N56 P211 D215 A216 I252 Y256T50-M54 HydrophobicContact CG2-CE 3.54Å; T50-M54 HydrophobicContact CG2-CG 4.27Å; T50-M54 HydrophobicContact CG2-SD 3.86Å; T50-M54 WeakPolarHBondContact O-CB 3.49Å; T50-M54 VanDerWaalsContact O-CG 3.26Å; T50-M54 WeakPolarHBondContact O-CG 3.39Å; T50-M54 PolarHBondContact O-N 3.25Å; F51-M54 PolarHBondContact O-N 3Å; M54-N56 VanDerWaalsContact C-N 3.32Å; M54-P211 HydrophobicContact CB-CB 4.47Å; M54-P211 HydrophobicContact CB-CG 4.42Å; M54-P211 HydrophobicContact CE-CB 3.88Å; M54-P211 HydrophobicContact CG-CB 4.03Å; M54-P211 HydrophobicContact CG-CG 4.32Å; M54-P211 HydrophobicContact SD-CB 3.67Å; M54-D215 HydrophobicContact CE-CB 4.09Å; M54-A216 HydrophobicContact SD-CB 3.88Å; M54-I252 HydrophobicContact CE-CD1 3.71Å; M54-I252 HydrophobicContact CE-CG1 3.87Å; M54-I252 HydrophobicContact CE-CG2 3.89Å; M54-Y256 HydrophobicContact CB-CE1 4.34Å; M54-Y256 HydrophobicContact CE-CD2 4.35Å; M54-Y256 HydrophobicContact CE-CE2 3.96Å; M54-Y256 HydrophobicContact CG-CD1 4.31Å; M54-Y256 HydrophobicContact CG-CD2 4.19Å; M54-Y256 HydrophobicContact CG-CE1 3.92Å; M54-Y256 HydrophobicContact CG-CE2 3.78Å; M54-Y256 HydrophobicContact CG-CG 4.45Å
55S95.6Very high95.3Very high29 Ų2941.4 Ų41.420%0.20322%0.22CC..THydrogen-bonded Turntrans-86.92-179.9-560000113.7F51 L52 L53 L57F51-S55 WeakPolarHBondContact CE2-OG 3.37Å; F51-S55 VanDerWaalsContact O-CB 3.28Å; F51-S55 WeakPolarHBondContact O-CB 3.3Å; F51-S55 PolarHBondContact O-N 3.44Å; F51-S55 PolarHBondContact O-OG 3.11Å; L52-S55 CarbonylContact O-C 3.59Å; L52-S55 PolarHBondContact O-N 2.64Å; L53-S55 PolarHBondContact O-N 3.36Å; S55-L57 PolarHBondContact O-N 3.48Å
56N94.8Very high94.8Very high143 Ų14345.2 Ų45.277%0.76524%0.24SC*.THydrogen-bonded Turntrans5334.8-174.1-59-71.2000113.4L52 L53 M54 P58L52-N56 PolarHBondContact O-N 3.41Å; L53-N56 PolarHBondContact O-N 2.85Å; M54-N56 VanDerWaalsContact C-N 3.32Å; N56-P58 WeakPolarHBondContact O-CD 3.25Å
57L95.6Very high94.5Very high15 Ų1544.7 Ų44.78%0.07924%0.237CC..  trans-92.6107.9178.8-64178.7000109.1W22 L52 S55 H59 A96 F101 V102W22-L57 HydrophobicContact CB-CD2 4.22Å; W22-L57 HydrophobicContact CD2-CB 4.08Å; W22-L57 HydrophobicContact CD2-CD1 4.3Å; W22-L57 HydrophobicContact CD2-CD2 3.73Å; W22-L57 HydrophobicContact CD2-CG 4.24Å; W22-L57 HydrophobicContact CE3-CD1 3.96Å; W22-L57 HydrophobicContact CE3-CD2 3.9Å; W22-L57 HydrophobicContact CE3-CG 4.35Å; W22-L57 HydrophobicContact CG-CD2 3.87Å; W22-L57 HydrophobicContact CH2-CB 4.34Å; W22-L57 HydrophobicContact CH2-CD1 3.91Å; W22-L57 HydrophobicContact CZ2-CB 3.86Å; W22-L57 HydrophobicContact CZ2-CD1 4.28Å; W22-L57 HydrophobicContact CZ3-CD1 3.75Å; L52-L57 HydrophobicContact CB-CB 4.44Å; L52-L57 HydrophobicContact CD2-CB 4.11Å; L52-L57 HydrophobicContact CD2-CD1 3.86Å; L52-L57 PolarHBondContact O-N 3.38Å; S55-L57 PolarHBondContact O-N 3.48Å; L57-H59 PolarHBondContact O-N 2.99Å; L57-H59 PolarHBondContact O-ND1 2.91Å; L57-A96 HydrophobicContact CD1-CB 4.38Å; L57-F101 HydrophobicContact CD2-CB 4.3Å; L57-V102 HydrophobicContact CD1-CG2 3.86Å
58P95.1Very high94.1Very high69 Ų6945.7 Ų45.745%0.44824%0.242SC..  trans-62.7133.2-177.926-34.8000110.2W22 N56W22-P58 VanDerWaalsContact CD1-CD 3.47Å; W22-P58 PolarHBondContact NE1-O 3.4Å; N56-P58 WeakPolarHBondContact O-CD 3.25Å
59H96Very high93.6Very high33 Ų3349.7 Ų49.715%0.15326%0.257CS..  trans-154.5155.9177.460.4-75.7000109.5A26 L52 L57A26-H59 HydrophobicContact CB-CB 4.2Å; A26-H59 CarbonylContact O-C 3.59Å; A26-H59 WeakPolarHBondContact O-CA 3.41Å; L52-H59 WeakPolarHBondContact CB-CE1 3.36Å; L52-H59 WeakPolarHBondContact CB-ND1 3.4Å; L52-H59 HydrophobicContact CD1-CB 4.2Å; L57-H59 PolarHBondContact O-N 2.99Å; L57-H59 PolarHBondContact O-ND1 2.91Å
60T96.1Very high93.3Very high80 Ų8047 Ų4749%0.49125%0.25SC..EExtended strand (participates in β ladder)trans-106.4145.6169.161.80000109.5A26 R27 L28A26-T60 PolarHBondContact O-N 3.49Å; R27-T60 CarbonylContact C-O 3.51Å; R27-T60 WeakPolarHBondContact CA-O 3.48Å; R27-T60 WeakPolarHBondContact CG-OG1 3.45Å; L28-T60 PolarHBondContact N-O 3.13Å
61V94.5Very high93.1Very high60 Ų6047.2 Ų47.236%0.36425%0.251SS..EExtended strand (participates in β ladder)trans-94.9122175.1179.90000108.1L28 Q30L28-V61 WeakPolarHBondContact O-CA 3.26Å; Q30-V61 HydrophobicContact CG-CG1 3.64Å
62E93.5Very high92.7Very high53 Ų5351.9 Ų51.925%0.24828%0.282CS..EExtended strand (participates in β ladder)trans-114.1113.9-179.9-166.5-177.3151.100110R27 L28 I29 Q30 R64R27-E62 WeakPolarHBondContact CD-OE2 3.37Å; R27-E62 IonicContact CZ-OE2 3.49Å; R27-E62 IonicContact NE-OE2 3.9Å; R27-E62 IonicContact NH1-OE2 3.98Å; R27-E62 PolarHBondContact NH1-OE2 2.97Å; L28-E62 PolarHBondContact O-N 3.05Å; I29-E62 WeakPolarHBondContact CA-O 3.2Å; I29-E62 HydrophobicContact CG1-CB 4.35Å; Q30-E62 PolarHBondContact N-O 3.28Å; E62-R64 HydrophobicContact CG-CG 4.45Å; E62-R64 IonicContact OE1-CZ 3.7Å; E62-R64 IonicContact OE1-NE 2.84Å; E62-R64 PolarHBondContact OE1-NE 3.19Å; E62-R64 IonicContact OE1-NH2 2.71Å; E62-R64 PolarHBondContact OE1-NH2 2.98Å; E62-R64 IonicContact OE2-NH2 3.5Å; E62-R64 PolarHBondContact OE2-NH2 3.39Å
63G92.2Very high92.4Very high27 Ų2755.7 Ų55.728%0.27831%0.305SS..EExtended strand (participates in β ladder)trans-77.5126.5175.300000111.7Q30 F32Q30-G63 CarbonylContact O-C 3.53Å; Q30-G63 WeakPolarHBondContact O-CA 3.11Å; F32-G63 WeakPolarHBondContact CE1-O 3.32Å; F32-G63 WeakPolarHBondContact CZ-O 3.41Å
64R90.4Very high92Very high71 Ų7158.6 Ų58.627%0.26831%0.313SS..  trans-136.8134.6174.6-66.6-169.2178.2-1743.7112I29 Q30 E62 N66 A67 I70I29-R64 HydrophobicContact CG2-CB 4.07Å; I29-R64 HydrophobicContact CG2-CG 4.05Å; Q30-R64 PolarHBondContact O-N 2.88Å; E62-R64 HydrophobicContact CG-CG 4.45Å; E62-R64 IonicContact OE1-CZ 3.7Å; E62-R64 IonicContact OE1-NE 2.84Å; E62-R64 PolarHBondContact OE1-NE 3.19Å; E62-R64 IonicContact OE1-NH2 2.71Å; E62-R64 PolarHBondContact OE1-NH2 2.98Å; E62-R64 IonicContact OE2-NH2 3.5Å; E62-R64 PolarHBondContact OE2-NH2 3.39Å; R64-N66 VanDerWaalsContact C-N 3.29Å; R64-N66 PolarHBondContact O-N 2.81Å; R64-A67 HydrophobicContact CB-CB 4.28Å; R64-A67 WeakPolarHBondContact O-CB 3.28Å; R64-A67 PolarHBondContact O-N 2.77Å; R64-I70 HydrophobicContact CB-CD1 4.42Å; R64-I70 HydrophobicContact CG-CD1 4.49Å
65Q84.6Confident91.9Very high114 Ų11462.5 Ų62.553%0.53333%0.331SS..THydrogen-bonded Turntrans-62.7-37.8176.4-58.5-176.3-25.600112F32 A67 F151F32-Q65 HydrophobicContact CD2-CG 3.87Å; F32-Q65 HydrophobicContact CE2-CG 3.42Å; F32-Q65 VanDerWaalsContact CE2-CG 3.42Å; Q65-A67 VanDerWaalsContact C-N 3.34Å; Q65-F151 HydrophobicContact CB-CD1 4.33Å; Q65-F151 HydrophobicContact CB-CG 4.37Å; Q65-F151 HydrophobicContact CG-CD1 3.93Å; Q65-F151 HydrophobicContact CG-CE1 4.16Å; Q65-F151 HydrophobicContact CG-CG 4.46Å
66N85.6Confident91.8Very high82 Ų8261.4 Ų61.444%0.43932%0.322SS..THydrogen-bonded Turntrans-94.722.3-179.868.5-27000113R64 E68 Y69 I70R64-N66 VanDerWaalsContact C-N 3.29Å; R64-N66 PolarHBondContact O-N 2.81Å; N66-E68 PolarHBondContact O-N 2.98Å; N66-Y69 HydrophobicContact CB-CD2 4.26Å; N66-Y69 PolarHBondContact O-N 2.9Å; N66-I70 PolarHBondContact O-N 2.88Å
67A89.9Confident91.9Very high1 Ų154.6 Ų54.61%0.00829%0.286CS..Hα-helixtrans-50.1-43.7-177.600000112.6I29 P31 R64 Q65 Y69 I70 S71 L76I29-A67 HydrophobicContact CG2-CB 3.86Å; P31-A67 HydrophobicContact CG-CB 4.43Å; R64-A67 HydrophobicContact CB-CB 4.28Å; R64-A67 WeakPolarHBondContact O-CB 3.28Å; R64-A67 PolarHBondContact O-N 2.77Å; Q65-A67 VanDerWaalsContact C-N 3.34Å; A67-Y69 PolarHBondContact O-N 3.1Å; A67-I70 WeakPolarHBondContact O-CB 3.43Å; A67-I70 PolarHBondContact O-N 3.06Å; A67-I70 VanDerWaalsContact O-N 3.13Å; A67-S71 PolarHBondContact O-N 2.99Å; A67-L76 HydrophobicContact CB-CD2 3.71Å
68E88.7Confident91.9Very high20 Ų2053.9 Ų53.99%0.09328%0.282CS..Hα-helixtrans-59.1-33.6177.9-165.8-159.8143.800112.8N66 S71 R74 L76 R164N66-E68 PolarHBondContact O-N 2.98Å; E68-S71 WeakPolarHBondContact O-CB 3.5Å; E68-S71 PolarHBondContact O-N 2.84Å; E68-R74 HydrophobicContact CG-CB 4.24Å; E68-R74 WeakPolarHBondContact O-CD 3.33Å; E68-R74 IonicContact OE1-NH1 3.34Å; E68-R74 PolarHBondContact OE1-NH1 2.95Å; E68-L76 HydrophobicContact CB-CD1 4.5Å; E68-R164 IonicContact OE1-CZ 3.96Å; E68-R164 IonicContact OE1-NH1 3.58Å; E68-R164 PolarHBondContact OE1-NH1 2.94Å; E68-R164 IonicContact OE2-NH1 3.56Å
69Y89.5Confident92Very high84 Ų8450.7 Ų50.733%0.32926%0.261SS..Hα-helixtrans-85.2-13.4-178.8-60.5-91.6000113.2N66 A67 R74 Y152N66-Y69 HydrophobicContact CB-CD2 4.26Å; N66-Y69 PolarHBondContact O-N 2.9Å; A67-Y69 PolarHBondContact O-N 3.1Å; Y69-R74 VanDerWaalsContact CE1-NH1 3.27Å; Y69-Y152 VanDerWaalsContact CE2-OH 3.23Å; Y69-Y152 WeakPolarHBondContact CE2-OH 3.46Å; Y69-Y152 PolarHBondContact OH-OH 3.29Å
70I90.9Very high92Very high37 Ų3750.8 Ų50.819%0.1926%0.263CS..Hα-helixtrans-78.1-30.1170.5-64.6166.4000109.7I29 R64 N66 A67 P72 V78 L85I29-I70 HydrophobicContact CD1-CD1 4.39Å; I29-I70 HydrophobicContact CD1-CG2 4.26Å; I29-I70 HydrophobicContact CG2-CD1 4.23Å; R64-I70 HydrophobicContact CB-CD1 4.42Å; R64-I70 HydrophobicContact CG-CD1 4.49Å; N66-I70 PolarHBondContact O-N 2.88Å; A67-I70 WeakPolarHBondContact O-CB 3.43Å; A67-I70 PolarHBondContact O-N 3.06Å; A67-I70 VanDerWaalsContact O-N 3.13Å; I70-P72 WeakPolarHBondContact O-CD 3.32Å; I70-V78 HydrophobicContact CG2-CG1 4.37Å; I70-L85 HydrophobicContact CG2-CD1 4.21Å
71S93.1Very high91.8Very high4 Ų447 Ų473%0.02824%0.24CC..SBendtrans-68122.8176178.80000111.9A67 E68 T73 R74 E75 S87A67-S71 PolarHBondContact O-N 2.99Å; E68-S71 WeakPolarHBondContact O-CB 3.5Å; E68-S71 PolarHBondContact O-N 2.84Å; S71-T73 PolarHBondContact O-N 3.44Å; S71-T73 PolarHBondContact OG-N 3.25Å; S71-T73 PolarHBondContact OG-OG1 3.4Å; S71-R74 PolarHBondContact O-N 3.43Å; S71-R74 WeakPolarHBondContact OG-CA 3.48Å; S71-R74 PolarHBondContact OG-N 2.85Å; S71-E75 WeakPolarHBondContact CB-O 3.32Å; S71-E75 PolarHBondContact OG-N 3.05Å; S71-E75 PolarHBondContact OG-O 3.27Å; S71-S87 WeakPolarHBondContact OG-CB 3.2Å; S71-S87 PolarHBondContact OG-OG 2.94Å
72P89.5Confident91.5Very high101 Ų10149.9 Ų49.966%0.65625%0.249SC*.THydrogen-bonded Turntrans-61.1-30.9173-24.233.9000112.7I70 L85 S87I70-P72 WeakPolarHBondContact O-CD 3.32Å; P72-L85 HydrophobicContact CG-CD2 3.54Å; P72-S87 VanDerWaalsContact CD-OG 3.3Å; P72-S87 WeakPolarHBondContact CD-OG 3.49Å
73T90.7Very high91.1Very high79 Ų7951.5 Ų51.549%0.48528%0.28SS..THydrogen-bonded Turntrans-96.3-6-179.359.90000113.2S71 E75S71-T73 PolarHBondContact O-N 3.44Å; S71-T73 PolarHBondContact OG-N 3.25Å; S71-T73 PolarHBondContact OG-OG1 3.4Å; T73-E75 PolarHBondContact O-N 3.47Å; T73-E75 WeakPolarHBondContact OG1-CB 3.26Å; T73-E75 PolarHBondContact OG1-N 3.49Å; T73-E75 PolarHBondContact OG1-OE2 3.01Å
74R90.5Very high91Very high109 Ų10952.9 Ų52.941%0.41129%0.286SS..SBendtrans64.511.7-167.7-54.9-59-163100.8-2.2114.7E68 Y69 S71E68-R74 HydrophobicContact CG-CB 4.24Å; E68-R74 WeakPolarHBondContact O-CD 3.33Å; E68-R74 IonicContact OE1-NH1 3.34Å; E68-R74 PolarHBondContact OE1-NH1 2.95Å; Y69-R74 VanDerWaalsContact CE1-NH1 3.27Å; S71-R74 PolarHBondContact O-N 3.43Å; S71-R74 WeakPolarHBondContact OG-CA 3.48Å; S71-R74 PolarHBondContact OG-N 2.85Å
75E92.5Very high91.2Very high102 Ų10252.9 Ų52.948%0.47729%0.291SS..  trans-91.1149.7173.4-62.4168.1154.600110.7S71 T73S71-E75 WeakPolarHBondContact CB-O 3.32Å; S71-E75 PolarHBondContact OG-N 3.05Å; S71-E75 PolarHBondContact OG-O 3.27Å; T73-E75 PolarHBondContact O-N 3.47Å; T73-E75 WeakPolarHBondContact OG1-CB 3.26Å; T73-E75 PolarHBondContact OG1-N 3.49Å; T73-E75 PolarHBondContact OG1-OE2 3.01Å
76L94.7Very high91.7Very high6 Ų648.6 Ų48.63%0.03127%0.272CS..SBendtrans-118.6155.4178.7-71168.9000109.8P31 D41 E44 A67 E68 V78P31-L76 HydrophobicContact CG-CD1 3.56Å; D41-L76 HydrophobicContact CB-CD1 4Å; E44-L76 WeakPolarHBondContact CB-O 3.39Å; A67-L76 HydrophobicContact CB-CD2 3.71Å; E68-L76 HydrophobicContact CB-CD1 4.5Å; L76-V78 HydrophobicContact CD2-CG2 4.39Å
77P96.1Very high92.2Very high0 Ų045 Ų450%025%0.254CS..  cis-78.2176.9-8.332.6-33.6000112.5L28 I29 Q30 C45 A48 S87 G88 I92L28-P77 HydrophobicContact CD1-CB 3.76Å; L28-P77 HydrophobicContact CD1-CG 3.65Å; L28-P77 HydrophobicContact CD2-CB 4.45Å; L28-P77 HydrophobicContact CD2-CG 4.31Å; L28-P77 HydrophobicContact CG-CB 3.9Å; L28-P77 HydrophobicContact CG-CG 4.11Å; I29-P77 WeakPolarHBondContact O-CA 3.49Å; I29-P77 WeakPolarHBondContact O-CB 3.48Å; Q30-P77 HydrophobicContact CB-CB 4.48Å; C45-P77 HydrophobicContact CB-CB 4.48Å; A48-P77 HydrophobicContact CB-CG 3.4Å; A48-P77 VanDerWaalsContact CB-CG 3.4Å; P77-S87 WeakPolarHBondContact O-CA 3.46Å; P77-G88 PolarHBondContact O-N 2.91Å; P77-I92 HydrophobicContact CG-CD1 3.94Å
78V97Very high92.5Very high0 Ų045.3 Ų45.30%026%0.256CS..EExtended strand (participates in β ladder)trans-112118.7174.1-176.60000110.1I29 I70 L76 L80 L85 V86I29-V78 HydrophobicContact CB-CB 4.19Å; I29-V78 PolarHBondContact N-O 3.37Å; I29-V78 PolarHBondContact O-N 3.43Å; I70-V78 HydrophobicContact CG2-CG1 4.37Å; L76-V78 HydrophobicContact CD2-CG2 4.39Å; V78-L80 HydrophobicContact CG1-CD2 4.32Å; V78-L85 HydrophobicContact CG1-CD1 4.16Å; V78-L85 HydrophobicContact CG1-CD2 3.5Å; V78-L85 VanDerWaalsContact CG1-CD2 3.5Å; V78-L85 HydrophobicContact CG1-CG 3.58Å; V78-V86 CarbonylContact C-O 3.55Å; V78-V86 WeakPolarHBondContact CA-O 3.33Å
79L97.3Very high92.9Very high1 Ų144.4 Ų44.41%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-87.4123170.7179.568.8000110.1W22 A26 R27 L28 L52 L85 V86 I92 F95W22-L79 HydrophobicContact CH2-CD1 4.32Å; W22-L79 HydrophobicContact CH2-CD2 3.8Å; W22-L79 HydrophobicContact CZ2-CD1 4.39Å; A26-L79 HydrophobicContact CB-CD1 4.24Å; R27-L79 WeakPolarHBondContact O-CA 3.26Å; L28-L79 HydrophobicContact CD1-CB 4.43Å; L52-L79 HydrophobicContact CD1-CD1 4.41Å; L79-L85 WeakPolarHBondContact O-CA 3.48Å; L79-V86 HydrophobicContact CB-CB 4.43Å; L79-V86 PolarHBondContact N-O 3.25Å; L79-V86 PolarHBondContact O-N 2.86Å; L79-I92 HydrophobicContact CB-CD1 3.92Å; L79-I92 HydrophobicContact CB-CG1 3.82Å; L79-I92 HydrophobicContact CD2-CG1 4.44Å; L79-I92 HydrophobicContact CD2-CG2 4.14Å; L79-F95 HydrophobicContact CD2-CD1 4.03Å; L79-F95 HydrophobicContact CD2-CE1 4.13Å
80L95.7Very high93.2Very high35 Ų3543.7 Ų43.718%0.18325%0.252CS..EExtended strand (participates in β ladder)trans-103119.8165.9-61-176.4000109.2A26 R27 I29 V78 S84 L85A26-L80 WeakPolarHBondContact CA-O 3.41Å; R27-L80 HydrophobicContact CB-CB 4.39Å; R27-L80 PolarHBondContact N-O 2.71Å; R27-L80 PolarHBondContact O-N 2.84Å; I29-L80 HydrophobicContact CD1-CD1 3.4Å; I29-L80 VanDerWaalsContact CD1-CD1 3.4Å; I29-L80 HydrophobicContact CD1-CG 3.85Å; I29-L80 HydrophobicContact CG1-CD1 4.32Å; V78-L80 HydrophobicContact CG1-CD2 4.32Å; L80-S84 WeakPolarHBondContact CA-O 3.46Å; L80-L85 HydrophobicContact CD2-CB 3.91Å; L80-L85 HydrophobicContact CD2-CD1 3.64Å; L80-L85 HydrophobicContact CD2-CG 3.56Å
81S91.9Very high93.5Very high2 Ų244.1 Ų44.11%0.01426%0.258CS..EExtended strand (participates in β ladder)trans-147.1121.8179.7-179.70000110.6D23 G83 S84D23-S81 WeakPolarHBondContact CB-OG 3.35Å; D23-S81 WeakPolarHBondContact OD2-CA 3.4Å; S81-G83 PolarHBondContact O-N 3.35Å; S81-G83 VanDerWaalsContact O-N 3.12Å; S81-S84 PolarHBondContact N-O 2.8Å; S81-S84 WeakPolarHBondContact O-CA 3.43Å; S81-S84 VanDerWaalsContact O-CB 3.24Å; S81-S84 WeakPolarHBondContact O-CB 3.11Å; S81-S84 PolarHBondContact O-N 2.91Å
82H87.4Confident93.7Very high119 Ų11944 Ų4455%0.55126%0.257SS*.THydrogen-bonded Turntrans4740.7-179.1-62.4117.9000114K21 D23 S84K21-H82 PolarHBondContact O-CE1 3.18Å; D23-H82 WeakPolarHBondContact CA-CE1 3.17Å; D23-H82 WeakPolarHBondContact CB-CE1 3.21Å; D23-H82 WeakPolarHBondContact CB-ND1 3.46Å; D23-H82 PolarHBondContact N-CE1 3.27Å; D23-H82 PolarHBondContact OD2-N 3.25Å; H82-S84 PolarHBondContact O-N 3.13Å
83G85.2Confident94Very high87 Ų8739.1 Ų39.190%0.89723%0.225SC*.THydrogen-bonded Turntrans74.8-3.8-176.800000115.3S81S81-G83 PolarHBondContact O-N 3.35Å; S81-G83 VanDerWaalsContact O-N 3.12Å
84S90.2Very high94.2Very high57 Ų5738.4 Ų38.440%0.39921%0.214SC..EExtended strand (participates in β ladder)trans-80.4140.8168.1-56.90000110L80 S81 H82L80-S84 WeakPolarHBondContact CA-O 3.46Å; S81-S84 PolarHBondContact N-O 2.8Å; S81-S84 WeakPolarHBondContact O-CA 3.43Å; S81-S84 VanDerWaalsContact O-CB 3.24Å; S81-S84 WeakPolarHBondContact O-CB 3.11Å; S81-S84 PolarHBondContact O-N 2.91Å; H82-S84 PolarHBondContact O-N 3.13Å
85L93.9Very high94.4Very high71 Ų7134.7 Ų34.737%0.37220%0.201SC..EExtended strand (participates in β ladder)trans-121118.8177.7-170.1160.6000108.4I70 P72 V78 L79 L80I70-L85 HydrophobicContact CG2-CD1 4.21Å; P72-L85 HydrophobicContact CG-CD2 3.54Å; V78-L85 HydrophobicContact CG1-CD1 4.16Å; V78-L85 HydrophobicContact CG1-CD2 3.5Å; V78-L85 VanDerWaalsContact CG1-CD2 3.5Å; V78-L85 HydrophobicContact CG1-CG 3.58Å; L79-L85 WeakPolarHBondContact O-CA 3.48Å; L80-L85 HydrophobicContact CD2-CB 3.91Å; L80-L85 HydrophobicContact CD2-CD1 3.64Å; L80-L85 HydrophobicContact CD2-CG 3.56Å
86V96.1Very high94.5Very high23 Ų2329.9 Ų29.914%0.13918%0.178CC..EExtended strand (participates in β ladder)trans-125.8130.4-177.7-174.30000108.7V78 L79 S91 I92 F95V78-V86 CarbonylContact C-O 3.55Å; V78-V86 WeakPolarHBondContact CA-O 3.33Å; L79-V86 HydrophobicContact CB-CB 4.43Å; L79-V86 PolarHBondContact N-O 3.25Å; L79-V86 PolarHBondContact O-N 2.86Å; V86-S91 VanDerWaalsContact CG1-C 3.43Å; V86-S91 WeakPolarHBondContact CG1-O 3.14Å; V86-I92 HydrophobicContact CB-CG1 4.43Å; V86-I92 HydrophobicContact CG1-CG1 4.05Å; V86-F95 HydrophobicContact CG1-CB 4.14Å; V86-F95 HydrophobicContact CG2-CB 4.14Å; V86-F95 HydrophobicContact CG2-CD1 4.37Å; V86-F95 HydrophobicContact CG2-CD2 3.89Å; V86-F95 HydrophobicContact CG2-CE2 4.37Å; V86-F95 HydrophobicContact CG2-CG 3.88Å
87S96.2Very high94.4Very high8 Ų831.7 Ų31.76%0.05619%0.189CC..EExtended strand (participates in β ladder)trans-122.4139.9-173.7-58.60000112.1S71 P72 P77 S91S71-S87 WeakPolarHBondContact OG-CB 3.2Å; S71-S87 PolarHBondContact OG-OG 2.94Å; P72-S87 VanDerWaalsContact CD-OG 3.3Å; P72-S87 WeakPolarHBondContact CD-OG 3.49Å; P77-S87 WeakPolarHBondContact O-CA 3.46Å; S87-S91 WeakPolarHBondContact O-CB 3.47Å; S87-S91 PolarHBondContact O-OG 3.25Å; S87-S91 VanDerWaalsContact O-OG 3.06Å
88G96.1Very high94.3Very high6 Ų636 Ų366%0.06221%0.21CC..SBendtrans85.8146.9-177.200000113.1P77 E90 S91 I92P77-G88 PolarHBondContact O-N 2.91Å; G88-E90 PolarHBondContact O-N 2.9Å; G88-S91 PolarHBondContact O-N 2.98Å; G88-I92 VanDerWaalsContact O-CG1 3.29Å; G88-I92 WeakPolarHBondContact O-CG1 3.5Å; G88-I92 PolarHBondContact O-N 3.48Å
89F97.1Very high94Very high2 Ų238.7 Ų38.71%0.00922%0.222CC..Hα-helixtrans-52.9-51.1-179.4170.3-99.5000112.7M1 E44 A47 A48 F51 S91 I92 V93 P213 A216 L217M1-F89 HydrophobicContact CE-CD1 4.39Å; M1-F89 HydrophobicContact CE-CE1 3.61Å; M1-F89 HydrophobicContact CE-CZ 4.09Å; E44-F89 WeakPolarHBondContact OE2-CB 3.11Å; A47-F89 HydrophobicContact CB-CD2 3.75Å; A47-F89 HydrophobicContact CB-CE2 4.04Å; A47-F89 HydrophobicContact CB-CG 4.33Å; A48-F89 HydrophobicContact CB-CD2 4.14Å; F51-F89 HydrophobicContact CB-CE2 3.93Å; F89-S91 VanDerWaalsContact C-N 3.34Å; F89-S91 PolarHBondContact O-N 3.16Å; F89-I92 WeakPolarHBondContact O-CB 3.28Å; F89-I92 PolarHBondContact O-N 2.68Å; F89-I92 VanDerWaalsContact O-N 3.13Å; F89-V93 HydrophobicContact CD2-CG2 4.26Å; F89-V93 HydrophobicContact CE1-CG2 4.05Å; F89-V93 HydrophobicContact CE2-CG2 3.78Å; F89-V93 HydrophobicContact CZ-CG2 3.65Å; F89-V93 WeakPolarHBondContact O-CG2 2.92Å; F89-V93 PolarHBondContact O-N 3.4Å; F89-P213 HydrophobicContact CZ-CB 4.28Å; F89-P213 WeakPolarHBondContact CZ-O 3.27Å; F89-A216 HydrophobicContact CE2-CB 4.26Å; F89-L217 HydrophobicContact CD1-CB 4.48Å; F89-L217 HydrophobicContact CD1-CD1 3.79Å; F89-L217 HydrophobicContact CE1-CB 3.76Å; F89-L217 HydrophobicContact CE1-CD1 3.93Å; F89-L217 HydrophobicContact CE1-CD2 4.27Å; F89-L217 HydrophobicContact CE1-CG 4.19Å; F89-L217 HydrophobicContact CG-CD1 4.31Å; F89-L217 HydrophobicContact CZ-CB 3.81Å
90E95.4Very high93.7Very high68 Ų6841.6 Ų41.632%0.31825%0.253SS..Hα-helixtrans-60.7-44.6-174.8-167.8177.5159.200111.7M1 G88 I92 V93 R94 Q122M1-E90 WeakPolarHBondContact CA-OE1 3.48Å; M1-E90 HydrophobicContact CB-CG 3.84Å; M1-E90 HydrophobicContact CG-CG 3.7Å; M1-E90 PolarHBondContact N-OE1 2.98Å; M1-E90 HydrophobicContact SD-CG 4.42Å; G88-E90 PolarHBondContact O-N 2.9Å; E90-I92 VanDerWaalsContact C-N 3.34Å; E90-I92 PolarHBondContact O-N 3.01Å; E90-V93 PolarHBondContact O-N 3.4Å; E90-R94 VanDerWaalsContact O-CB 3.27Å; E90-R94 WeakPolarHBondContact O-CB 3.46Å; E90-R94 PolarHBondContact O-N 3.02Å; E90-Q122 PolarHBondContact OE2-NE2 3.44Å
91S96.1Very high93.6Very high46 Ų4641.8 Ų41.832%0.32225%0.252SS..Hα-helixtrans-64.4-38.7177.2-56.40000112V86 S87 G88 F89 R94 F95V86-S91 VanDerWaalsContact CG1-C 3.43Å; V86-S91 WeakPolarHBondContact CG1-O 3.14Å; S87-S91 WeakPolarHBondContact O-CB 3.47Å; S87-S91 PolarHBondContact O-OG 3.25Å; S87-S91 VanDerWaalsContact O-OG 3.06Å; G88-S91 PolarHBondContact O-N 2.98Å; F89-S91 VanDerWaalsContact C-N 3.34Å; F89-S91 PolarHBondContact O-N 3.16Å; S91-R94 PolarHBondContact O-N 3.39Å; S91-F95 VanDerWaalsContact O-CB 3.25Å; S91-F95 WeakPolarHBondContact O-CB 3.21Å; S91-F95 PolarHBondContact O-N 3.38Å
92I97.3Very high93.6Very high1 Ų142.6 Ų42.61%0.00526%0.257CS..Hα-helixtrans-64-46.1177.6-72.2167.6000110.7L28 A48 F51 L52 P77 L79 V86 G88 F89 E90 F95 A96L28-I92 HydrophobicContact CD1-CD1 3.99Å; A48-I92 HydrophobicContact CB-CD1 4.11Å; F51-I92 HydrophobicContact CD1-CG2 4.27Å; F51-I92 HydrophobicContact CE1-CG2 4.33Å; L52-I92 HydrophobicContact CD2-CG2 4.35Å; P77-I92 HydrophobicContact CG-CD1 3.94Å; L79-I92 HydrophobicContact CB-CD1 3.92Å; L79-I92 HydrophobicContact CB-CG1 3.82Å; L79-I92 HydrophobicContact CD2-CG1 4.44Å; L79-I92 HydrophobicContact CD2-CG2 4.14Å; V86-I92 HydrophobicContact CB-CG1 4.43Å; V86-I92 HydrophobicContact CG1-CG1 4.05Å; G88-I92 VanDerWaalsContact O-CG1 3.29Å; G88-I92 WeakPolarHBondContact O-CG1 3.5Å; G88-I92 PolarHBondContact O-N 3.48Å; F89-I92 WeakPolarHBondContact O-CB 3.28Å; F89-I92 PolarHBondContact O-N 2.68Å; F89-I92 VanDerWaalsContact O-N 3.13Å; E90-I92 VanDerWaalsContact C-N 3.34Å; E90-I92 PolarHBondContact O-N 3.01Å; I92-F95 PolarHBondContact O-N 2.86Å; I92-A96 PolarHBondContact O-N 2.83Å
93V96.5Very high93.8Very high0 Ų041.7 Ų41.70%026%0.264CS..Hα-helixtrans-64.8-46.6177.7179.30000110.6M1 F2 F51 F89 E90 F95 A96 V97 P213M1-V93 HydrophobicContact CE-CB 3.29Å; M1-V93 HydrophobicContact CE-CG1 3.35Å; M1-V93 HydrophobicContact CE-CG2 3.45Å; M1-V93 VanDerWaalsContact CE-CG2 3.45Å; F2-V93 HydrophobicContact CE1-CG1 3.98Å; F2-V93 HydrophobicContact CZ-CG1 4.32Å; F51-V93 HydrophobicContact CB-CG2 4.48Å; F51-V93 HydrophobicContact CD1-CG2 3.69Å; F51-V93 HydrophobicContact CD2-CG1 4.47Å; F51-V93 HydrophobicContact CD2-CG2 3.91Å; F51-V93 HydrophobicContact CE1-CB 4.19Å; F51-V93 HydrophobicContact CE1-CG1 4.41Å; F51-V93 HydrophobicContact CE1-CG2 3.81Å; F51-V93 HydrophobicContact CE2-CB 4.41Å; F51-V93 HydrophobicContact CE2-CG1 3.87Å; F51-V93 HydrophobicContact CE2-CG2 4.03Å; F51-V93 HydrophobicContact CG-CG2 3.73Å; F51-V93 HydrophobicContact CZ-CB 4.12Å; F51-V93 HydrophobicContact CZ-CG1 3.83Å; F51-V93 HydrophobicContact CZ-CG2 3.98Å; F89-V93 HydrophobicContact CD2-CG2 4.26Å; F89-V93 HydrophobicContact CE1-CG2 4.05Å; F89-V93 HydrophobicContact CE2-CG2 3.78Å; F89-V93 HydrophobicContact CZ-CG2 3.65Å; F89-V93 WeakPolarHBondContact O-CG2 2.92Å; F89-V93 PolarHBondContact O-N 3.4Å; E90-V93 PolarHBondContact O-N 3.4Å; V93-F95 VanDerWaalsContact C-N 3.31Å; V93-F95 PolarHBondContact O-N 3.33Å; V93-A96 PolarHBondContact O-N 2.79Å; V93-A96 VanDerWaalsContact O-N 3.11Å; V93-V97 HydrophobicContact CG1-CG2 4.26Å; V93-V97 WeakPolarHBondContact O-CG2 3.32Å; V93-V97 PolarHBondContact O-N 3.26Å; V93-P213 HydrophobicContact CG1-CB 3.83Å; V93-P213 HydrophobicContact CG1-CG 3.68Å; V93-P213 HydrophobicContact CG2-CB 4.13Å
94R94.9Very high93.9Very high64 Ų6439.2 Ų39.224%0.24223%0.23CC..Hα-helixtrans-55.1-47.9176.7179.5-172.1176.2133.437.7111.3K3 E90 S91 A96 V97 E98K3-R94 PolarHBondContact O-NH2 3.06Å; E90-R94 VanDerWaalsContact O-CB 3.27Å; E90-R94 WeakPolarHBondContact O-CB 3.46Å; E90-R94 PolarHBondContact O-N 3.02Å; S91-R94 PolarHBondContact O-N 3.39Å; R94-A96 VanDerWaalsContact C-N 3.34Å; R94-A96 PolarHBondContact O-N 3.26Å; R94-V97 PolarHBondContact O-N 3.32Å; R94-E98 HydrophobicContact CG-CG 4.16Å; R94-E98 IonicContact CZ-OE1 3.7Å; R94-E98 VanDerWaalsContact CZ-OE1 3.25Å; R94-E98 VanDerWaalsContact NE-CD 3.35Å; R94-E98 IonicContact NE-OE1 2.71Å; R94-E98 PolarHBondContact NE-OE1 3.39Å; R94-E98 IonicContact NE-OE2 3.54Å; R94-E98 PolarHBondContact NE-OE2 3.18Å; R94-E98 IonicContact NH2-OE1 2.9Å; R94-E98 PolarHBondContact NH2-OE1 2.64Å; R94-E98 WeakPolarHBondContact O-CB 3.18Å; R94-E98 WeakPolarHBondContact O-CG 3.02Å; R94-E98 PolarHBondContact O-N 2.99Å
95F94.7Very high93.6Very high30 Ų3043.3 Ų43.313%0.13224%0.243CC..Hα-helixtrans-56.8-47.2175.9169.7-100.2000111.5W22 L79 V86 S91 I92 V93 V97 Q99 F101W22-F95 HydrophobicContact CZ3-CE1 4.17Å; L79-F95 HydrophobicContact CD2-CD1 4.03Å; L79-F95 HydrophobicContact CD2-CE1 4.13Å; V86-F95 HydrophobicContact CG1-CB 4.14Å; V86-F95 HydrophobicContact CG2-CB 4.14Å; V86-F95 HydrophobicContact CG2-CD1 4.37Å; V86-F95 HydrophobicContact CG2-CD2 3.89Å; V86-F95 HydrophobicContact CG2-CE2 4.37Å; V86-F95 HydrophobicContact CG2-CG 3.88Å; S91-F95 VanDerWaalsContact O-CB 3.25Å; S91-F95 WeakPolarHBondContact O-CB 3.21Å; S91-F95 PolarHBondContact O-N 3.38Å; I92-F95 PolarHBondContact O-N 2.86Å; V93-F95 VanDerWaalsContact C-N 3.31Å; V93-F95 PolarHBondContact O-N 3.33Å; F95-V97 VanDerWaalsContact C-N 3.32Å; F95-V97 PolarHBondContact O-N 3.17Å; F95-Q99 HydrophobicContact CD2-CG 3.78Å; F95-Q99 HydrophobicContact CE2-CG 3.62Å; F95-Q99 HydrophobicContact CG-CG 4.39Å; F95-Q99 HydrophobicContact CZ-CG 4.1Å; F95-Q99 VanDerWaalsContact O-CB 3.32Å; F95-Q99 WeakPolarHBondContact O-CB 3.34Å; F95-Q99 WeakPolarHBondContact O-CG 3.32Å; F95-Q99 PolarHBondContact O-N 3.22Å; F95-F101 HydrophobicContact CE1-CD2 4.28Å; F95-F101 AromaticContact CE1-CE2 3.82Å; F95-F101 HydrophobicContact CE1-CE2 3.82Å; F95-F101 AromaticContact CZ-CE2 3.92Å; F95-F101 HydrophobicContact CZ-CE2 3.92Å
96A94.8Very high93.2Very high1 Ų141.7 Ų41.71%0.00824%0.236CC..Hα-helixtrans-62.3-38.6-179.900000113F51 L57 I92 V93 R94 G100 F101 V102F51-A96 HydrophobicContact CE1-CB 3.81Å; F51-A96 HydrophobicContact CZ-CB 3.74Å; L57-A96 HydrophobicContact CD1-CB 4.38Å; I92-A96 PolarHBondContact O-N 2.83Å; V93-A96 PolarHBondContact O-N 2.79Å; V93-A96 VanDerWaalsContact O-N 3.11Å; R94-A96 VanDerWaalsContact C-N 3.34Å; R94-A96 PolarHBondContact O-N 3.26Å; A96-G100 PolarHBondContact O-N 3.31Å; A96-F101 WeakPolarHBondContact O-CB 3.33Å; A96-F101 PolarHBondContact O-N 3.48Å; A96-V102 HydrophobicContact CB-CB 4.43Å; A96-V102 HydrophobicContact CB-CG2 3.97Å; A96-V102 PolarHBondContact O-N 2.95Å; A96-V102 VanDerWaalsContact O-N 3.11Å
97V93.6Very high92.9Very high44 Ų4444.4 Ų44.427%0.26725%0.252SS..Hα-helixtrans-74.1-49.3178.41750000111.7F2 V93 R94 F95 Q99 G100 V102 L104F2-V97 HydrophobicContact CE1-CG2 4.4Å; V93-V97 HydrophobicContact CG1-CG2 4.26Å; V93-V97 WeakPolarHBondContact O-CG2 3.32Å; V93-V97 PolarHBondContact O-N 3.26Å; R94-V97 PolarHBondContact O-N 3.32Å; F95-V97 VanDerWaalsContact C-N 3.32Å; F95-V97 PolarHBondContact O-N 3.17Å; V97-Q99 VanDerWaalsContact C-N 3.31Å; V97-Q99 PolarHBondContact O-N 3.08Å; V97-G100 PolarHBondContact O-N 2.92Å; V97-V102 HydrophobicContact CG2-CB 4.43Å; V97-L104 HydrophobicContact CG2-CD1 3.87Å; V97-L104 HydrophobicContact CG2-CG 3.94Å
98E92.1Very high92.6Very high90 Ų9051.4 Ų51.442%0.42129%0.289SS..Hα-helixtrans-66-32.3-177.5-73.3179.1165.600112.6R94 G100R94-E98 HydrophobicContact CG-CG 4.16Å; R94-E98 IonicContact CZ-OE1 3.7Å; R94-E98 VanDerWaalsContact CZ-OE1 3.25Å; R94-E98 VanDerWaalsContact NE-CD 3.35Å; R94-E98 IonicContact NE-OE1 2.71Å; R94-E98 PolarHBondContact NE-OE1 3.39Å; R94-E98 IonicContact NE-OE2 3.54Å; R94-E98 PolarHBondContact NE-OE2 3.18Å; R94-E98 IonicContact NH2-OE1 2.9Å; R94-E98 PolarHBondContact NH2-OE1 2.64Å; R94-E98 WeakPolarHBondContact O-CB 3.18Å; R94-E98 WeakPolarHBondContact O-CG 3.02Å; R94-E98 PolarHBondContact O-N 2.99Å; E98-G100 PolarHBondContact O-N 3.47Å
99Q91.6Very high92.3Very high58 Ų5857.9 Ų57.927%0.27132%0.318SS..THydrogen-bonded Turntrans-81.2-2.6173.9-60.2-52.9-56.600113.3K20 F95 V97 F101K20-Q99 VanDerWaalsContact CD-OE1 3.24Å; F95-Q99 HydrophobicContact CD2-CG 3.78Å; F95-Q99 HydrophobicContact CE2-CG 3.62Å; F95-Q99 HydrophobicContact CG-CG 4.39Å; F95-Q99 HydrophobicContact CZ-CG 4.1Å; F95-Q99 VanDerWaalsContact O-CB 3.32Å; F95-Q99 WeakPolarHBondContact O-CB 3.34Å; F95-Q99 WeakPolarHBondContact O-CG 3.32Å; F95-Q99 PolarHBondContact O-N 3.22Å; V97-Q99 VanDerWaalsContact C-N 3.31Å; V97-Q99 PolarHBondContact O-N 3.08Å; Q99-F101 VanDerWaalsContact C-N 3.31Å; Q99-F101 HydrophobicContact CB-CD2 3.58Å; Q99-F101 HydrophobicContact CB-CE2 3.33Å; Q99-F101 HydrophobicContact CB-CG 4.31Å; Q99-F101 HydrophobicContact CB-CZ 3.88Å; Q99-F101 HydrophobicContact CG-CD2 4.44Å; Q99-F101 HydrophobicContact CG-CE2 3.91Å; Q99-F101 PolarHBondContact O-N 2.93Å
100G91.7Very high92Very high62 Ų6261 Ų6164%0.63933%0.332SS*.THydrogen-bonded Turntrans73.418.9178.300000114.6A96 V97 E98 V102A96-G100 PolarHBondContact O-N 3.31Å; V97-G100 PolarHBondContact O-N 2.92Å; E98-G100 PolarHBondContact O-N 3.47Å; G100-V102 VanDerWaalsContact C-N 3.35Å
101F92.7Very high91.8Very high38 Ų3859.7 Ų59.717%0.16733%0.327CS..SBendtrans-75.2-28.9173.4-56.5-51.4000111.8K20 K21 W22 L57 F95 A96 Q99K20-F101 HydrophobicContact CB-CE1 3.83Å; K20-F101 HydrophobicContact CB-CZ 3.98Å; K20-F101 VanDerWaalsContact O-CE1 3.26Å; K20-F101 WeakPolarHBondContact O-CE1 3.26Å; K21-F101 VanDerWaalsContact C-CE1 3.48Å; K21-F101 WeakPolarHBondContact O-CE1 3.23Å; W22-F101 HydrophobicContact CB-CD1 4.24Å; W22-F101 HydrophobicContact CB-CE1 4.44Å; W22-F101 HydrophobicContact CE3-CB 4.08Å; W22-F101 HydrophobicContact CE3-CD1 4.28Å; W22-F101 AromaticContact CE3-CD2 3.52Å; W22-F101 HydrophobicContact CE3-CD2 3.52Å; W22-F101 AromaticContact CE3-CE2 3.93Å; W22-F101 HydrophobicContact CE3-CE2 3.93Å; W22-F101 AromaticContact CE3-CG 3.72Å; W22-F101 HydrophobicContact CE3-CG 3.72Å; W22-F101 HydrophobicContact CE3-CZ 4.47Å; W22-F101 AromaticContact CZ3-CD2 3.8Å; W22-F101 HydrophobicContact CZ3-CD2 3.8Å; W22-F101 HydrophobicContact CZ3-CE2 4.25Å; W22-F101 HydrophobicContact CZ3-CG 4.36Å; L57-F101 HydrophobicContact CD2-CB 4.3Å; F95-F101 HydrophobicContact CE1-CD2 4.28Å; F95-F101 AromaticContact CE1-CE2 3.82Å; F95-F101 HydrophobicContact CE1-CE2 3.82Å; F95-F101 AromaticContact CZ-CE2 3.92Å; F95-F101 HydrophobicContact CZ-CE2 3.92Å; A96-F101 WeakPolarHBondContact O-CB 3.33Å; A96-F101 PolarHBondContact O-N 3.48Å; Q99-F101 VanDerWaalsContact C-N 3.31Å; Q99-F101 HydrophobicContact CB-CD2 3.58Å; Q99-F101 HydrophobicContact CB-CE2 3.33Å; Q99-F101 HydrophobicContact CB-CG 4.31Å; Q99-F101 HydrophobicContact CB-CZ 3.88Å; Q99-F101 HydrophobicContact CG-CD2 4.44Å; Q99-F101 HydrophobicContact CG-CE2 3.91Å; Q99-F101 PolarHBondContact O-N 2.93Å
102V92.5Very high91.7Very high20 Ų2059.5 Ų59.512%0.12133%0.332CS..SBendtrans-127.5130.8177.4178.90000109.2F51 L57 A96 V97 G100 L104F51-V102 HydrophobicContact CE2-CG1 4.46Å; F51-V102 HydrophobicContact CE2-CG2 4.5Å; F51-V102 HydrophobicContact CZ-CG2 4Å; L57-V102 HydrophobicContact CD1-CG2 3.86Å; A96-V102 HydrophobicContact CB-CB 4.43Å; A96-V102 HydrophobicContact CB-CG2 3.97Å; A96-V102 PolarHBondContact O-N 2.95Å; A96-V102 VanDerWaalsContact O-N 3.11Å; V97-V102 HydrophobicContact CG2-CB 4.43Å; G100-V102 VanDerWaalsContact C-N 3.35Å; V102-L104 HydrophobicContact CG1-CD2 4.13Å
103S90.3Very high91.5Very high100 Ų10063.2 Ų63.270%0.69935%0.349SS*.  trans-104.4119.9170.4-173.30000109.2E105S103-E105 PolarHBondContact O-N 2.69Å
104L87.2Confident91.4Very high35 Ų3563.2 Ų63.218%0.18335%0.349CS..  trans-85100.4171.5-58.2179000107.5F2 V97 V102 V106 M111 P213F2-L104 HydrophobicContact CD1-CD1 3.75Å; F2-L104 HydrophobicContact CE1-CD1 3.25Å; F2-L104 HydrophobicContact CZ-CD1 3.67Å; V97-L104 HydrophobicContact CG2-CD1 3.87Å; V97-L104 HydrophobicContact CG2-CG 3.94Å; V102-L104 HydrophobicContact CG1-CD2 4.13Å; L104-V106 HydrophobicContact CB-CG2 3.95Å; L104-V106 PolarHBondContact O-N 3.44Å; L104-M111 HydrophobicContact CD1-CE 4.05Å; L104-P213 HydrophobicContact CD2-CG 3.81Å
105E84.9Confident91.4Very high143 Ų14362.6 Ų62.667%0.66835%0.349SS*.  trans-7564.7173.8-66-179.5-16800110.2S103 R210S103-E105 PolarHBondContact O-N 2.69Å; E105-R210 VanDerWaalsContact CD-NH1 3.33Å; E105-R210 IonicContact OE1-NH1 3.32Å; E105-R210 IonicContact OE2-CZ 3.86Å; E105-R210 IonicContact OE2-NH1 3.97Å; E105-R210 PolarHBondContact OE2-NH1 3.39Å; E105-R210 IonicContact OE2-NH2 3.13Å
106V86.3Confident91.4Very high37 Ų3763.2 Ų63.222%0.22436%0.364CS..  trans-125.8144-178.2-61.40000110.7L104 E110 M111 M114L104-V106 HydrophobicContact CB-CG2 3.95Å; L104-V106 PolarHBondContact O-N 3.44Å; V106-E110 HydrophobicContact CB-CB 4.07Å; V106-M111 HydrophobicContact CG2-CB 4.32Å; V106-M111 HydrophobicContact CG2-CE 3.49Å; V106-M111 VanDerWaalsContact CG2-CE 3.49Å; V106-M111 HydrophobicContact CG2-SD 4.29Å; V106-M114 HydrophobicContact CG1-CE 4.13Å
107T89.3Confident91.5Very high79 Ų7963.9 Ų63.949%0.48537%0.368SS..  trans-72.9162.1171.560.80000111.3Q109 E110 M111T107-Q109 PolarHBondContact O-N 3.15Å; T107-E110 WeakPolarHBondContact CB-OE2 3.1Å; T107-E110 WeakPolarHBondContact CG2-OE2 3.41Å; T107-E110 PolarHBondContact N-OE2 3.31Å; T107-E110 PolarHBondContact O-N 3.15Å; T107-E110 VanDerWaalsContact O-N 3.17Å; T107-E110 WeakPolarHBondContact OG1-CB 3.43Å; T107-E110 VanDerWaalsContact OG1-CD 3.31Å; T107-E110 VanDerWaalsContact OG1-CG 3.28Å; T107-E110 WeakPolarHBondContact OG1-CG 3.26Å; T107-E110 PolarHBondContact OG1-N 3.38Å; T107-E110 PolarHBondContact OG1-OE2 2.91Å; T107-M111 WeakPolarHBondContact O-CB 3.29Å; T107-M111 PolarHBondContact O-N 3.45Å
108D88.8Confident91.6Very high155 Ų15562 Ų6283%0.82936%0.356SS*.Hα-helixtrans-57.9-33.6176.2-67.2-27.5000112.4G112D108-G112 PolarHBondContact O-N 3.02Å; D108-G112 VanDerWaalsContact O-N 3.08Å
109Q90.5Very high91.9Very high142 Ų14260.8 Ų60.866%0.66436%0.358SS*.Hα-helixtrans-67.6-50.2175.6-175.5-175-28.400111.3T107 M111 G112 E113T107-Q109 PolarHBondContact O-N 3.15Å; Q109-M111 PolarHBondContact O-N 2.87Å; Q109-G112 PolarHBondContact O-N 3.46Å; Q109-G112 VanDerWaalsContact O-N 3.16Å; Q109-E113 PolarHBondContact NE2-OE1 3.48Å; Q109-E113 WeakPolarHBondContact O-CG 3.29Å; Q109-E113 PolarHBondContact O-N 2.65Å
110E91.6Very high92.1Very high67 Ų6760.4 Ų60.431%0.31336%0.357SS..Hα-helixtrans-61.5-34.5177.3-72.5164.6144.900111.5V106 T107 E113 M114 M207V106-E110 HydrophobicContact CB-CB 4.07Å; T107-E110 WeakPolarHBondContact CB-OE2 3.1Å; T107-E110 WeakPolarHBondContact CG2-OE2 3.41Å; T107-E110 PolarHBondContact N-OE2 3.31Å; T107-E110 PolarHBondContact O-N 3.15Å; T107-E110 VanDerWaalsContact O-N 3.17Å; T107-E110 WeakPolarHBondContact OG1-CB 3.43Å; T107-E110 VanDerWaalsContact OG1-CD 3.31Å; T107-E110 VanDerWaalsContact OG1-CG 3.28Å; T107-E110 WeakPolarHBondContact OG1-CG 3.26Å; T107-E110 PolarHBondContact OG1-N 3.38Å; T107-E110 PolarHBondContact OG1-OE2 2.91Å; E110-E113 PolarHBondContact O-N 3.26Å; E110-M114 WeakPolarHBondContact O-CB 3.45Å; E110-M114 PolarHBondContact O-N 3.24Å; E110-M207 HydrophobicContact CB-CE 3.81Å; E110-M207 HydrophobicContact CG-CE 4.18Å; E110-M207 VanDerWaalsContact O-CE 3.29Å; E110-M207 WeakPolarHBondContact O-CE 3.34Å
111M91.3Very high92.4Very high41 Ų4157.5 Ų57.520%0.20233%0.327CS..Hα-helixtrans-62.2-48174-172.962.983.200111.4F2 L104 V106 T107 Q109 E113 M114 E115F2-M111 HydrophobicContact CB-CE 4.08Å; F2-M111 HydrophobicContact CB-SD 3.76Å; F2-M111 HydrophobicContact CD1-CE 4.39Å; F2-M111 HydrophobicContact CD1-SD 4.37Å; F2-M111 HydrophobicContact CD2-CE 4.2Å; F2-M111 HydrophobicContact CD2-CG 4.49Å; F2-M111 HydrophobicContact CD2-SD 3.18Å; F2-M111 WeakPolarHBondContact CD2-SD 3.3Å; F2-M111 HydrophobicContact CE2-SD 3.79Å; F2-M111 HydrophobicContact CG-CE 3.96Å; F2-M111 HydrophobicContact CG-SD 3.5Å; F2-M111 VanDerWaalsContact CG-SD 3.5Å; L104-M111 HydrophobicContact CD1-CE 4.05Å; V106-M111 HydrophobicContact CG2-CB 4.32Å; V106-M111 HydrophobicContact CG2-CE 3.49Å; V106-M111 VanDerWaalsContact CG2-CE 3.49Å; V106-M111 HydrophobicContact CG2-SD 4.29Å; T107-M111 WeakPolarHBondContact O-CB 3.29Å; T107-M111 PolarHBondContact O-N 3.45Å; Q109-M111 PolarHBondContact O-N 2.87Å; M111-E113 VanDerWaalsContact C-N 3.33Å; M111-E113 PolarHBondContact O-N 3.18Å; M111-M114 PolarHBondContact O-N 3.27Å; M111-E115 WeakPolarHBondContact O-CG 3.48Å; M111-E115 PolarHBondContact O-N 3.1Å
112G92.5Very high92.4Very high42 Ų4258.5 Ų58.543%0.43333%0.332SS..Hα-helixtrans-62-39.6176.700000113D108 Q109 E115 G116D108-G112 PolarHBondContact O-N 3.02Å; D108-G112 VanDerWaalsContact O-N 3.08Å; Q109-G112 PolarHBondContact O-N 3.46Å; Q109-G112 VanDerWaalsContact O-N 3.16Å; G112-E115 PolarHBondContact O-N 3.07Å; G112-G116 PolarHBondContact O-N 2.96Å
113E93.5Very high92.6Very high79 Ų7962 Ų6237%0.36935%0.347SS..Hα-helixtrans-63-44.3174.2-71.2177.6-160.500111.6Q109 E110 M111 G116 L117 H199 M207Q109-E113 PolarHBondContact NE2-OE1 3.48Å; Q109-E113 WeakPolarHBondContact O-CG 3.29Å; Q109-E113 PolarHBondContact O-N 2.65Å; E110-E113 PolarHBondContact O-N 3.26Å; M111-E113 VanDerWaalsContact C-N 3.33Å; M111-E113 PolarHBondContact O-N 3.18Å; E113-G116 PolarHBondContact O-N 3.35Å; E113-L117 PolarHBondContact O-N 3.05Å; E113-L117 VanDerWaalsContact O-N 3.1Å; E113-H199 IonicContact OE2-CE1 3.27Å; E113-M207 HydrophobicContact CB-CE 4.17Å
114M94.4Very high92.9Very high0 Ų057.8 Ų57.80%032%0.317CS..Hα-helixtrans-62.1-46.3176.7-168.6-173.3-60.400111.7F2 V106 E110 M111 G116 L117 V118 M207 T212 L214F2-M114 HydrophobicContact CE2-SD 3.8Å; F2-M114 HydrophobicContact CZ-SD 4.06Å; V106-M114 HydrophobicContact CG1-CE 4.13Å; E110-M114 WeakPolarHBondContact O-CB 3.45Å; E110-M114 PolarHBondContact O-N 3.24Å; M111-M114 PolarHBondContact O-N 3.27Å; M114-G116 VanDerWaalsContact C-N 3.29Å; M114-G116 PolarHBondContact O-N 2.88Å; M114-L117 PolarHBondContact O-N 2.74Å; M114-V118 HydrophobicContact CG-CG2 4.46Å; M114-V118 WeakPolarHBondContact O-CG2 3.37Å; M114-V118 PolarHBondContact O-N 2.78Å; M114-M207 HydrophobicContact CB-CE 4.49Å; M114-M207 HydrophobicContact CB-SD 4.43Å; M114-M207 HydrophobicContact CE-CG 3.97Å; M114-T212 HydrophobicContact CE-CG2 3.82Å; M114-L214 HydrophobicContact CG-CB 3.71Å; M114-L214 HydrophobicContact CG-CD2 4.2Å; M114-L214 HydrophobicContact CG-CG 4.49Å; M114-L214 HydrophobicContact SD-CB 4.31Å
115E94.2Very high93.4Very high52 Ų5256.1 Ų56.124%0.24331%0.309CS..Hα-helixtrans-61.2-38.2177.8-72.6-164.9149.200112F2 M111 G112 S119F2-E115 HydrophobicContact CD2-CG 3.96Å; F2-E115 PolarHBondContact N-OE1 2.81Å; M111-E115 WeakPolarHBondContact O-CG 3.48Å; M111-E115 PolarHBondContact O-N 3.1Å; G112-E115 PolarHBondContact O-N 3.07Å; E115-S119 WeakPolarHBondContact O-CB 3.41Å; E115-S119 PolarHBondContact O-N 3.11Å; E115-S119 PolarHBondContact O-OG 2.95Å
116G95.7Very high93.9Very high43 Ų4350.7 Ų50.744%0.44329%0.285SS..Hα-helixtrans-61.9-44.3174.300000112.8G112 E113 M114 S119 L120G112-G116 PolarHBondContact O-N 2.96Å; E113-G116 PolarHBondContact O-N 3.35Å; M114-G116 VanDerWaalsContact C-N 3.29Å; M114-G116 PolarHBondContact O-N 2.88Å; G116-S119 PolarHBondContact O-N 3.24Å; G116-L120 PolarHBondContact O-N 3.46Å
117L96.9Very high94.4Very high15 Ų1550 Ų508%0.07928%0.28CS..Hα-helixtrans-71.7-37.4178.7-68.5174.1000112.9E113 M114 S119 L120 V121 V195 L196 H199 L214E113-L117 PolarHBondContact O-N 3.05Å; E113-L117 VanDerWaalsContact O-N 3.1Å; M114-L117 PolarHBondContact O-N 2.74Å; L117-S119 VanDerWaalsContact C-N 3.32Å; L117-L120 HydrophobicContact CD2-CD2 4.49Å; L117-L120 PolarHBondContact O-N 3.48Å; L117-V121 WeakPolarHBondContact O-CG2 3.12Å; L117-V121 PolarHBondContact O-N 2.9Å; L117-V195 HydrophobicContact CD2-CG1 4.27Å; L117-L196 HydrophobicContact CD2-CD2 4.35Å; L117-H199 HydrophobicContact CD1-CB 4.41Å; L117-L214 HydrophobicContact CB-CD1 3.72Å; L117-L214 HydrophobicContact CB-CD2 3.78Å; L117-L214 HydrophobicContact CB-CG 4.42Å; L117-L214 HydrophobicContact CD1-CD2 3.56Å; L117-L214 HydrophobicContact CG-CD2 4.33Å
118V96.5Very high94.8Very high4 Ų446.2 Ų46.22%0.02426%0.257CS..Hα-helixtrans-59.6-47.1172.3168.10000109.9M1 M114 L120 V121 Q122 L214 L217M1-V118 HydrophobicContact SD-CG1 4.21Å; M1-V118 HydrophobicContact SD-CG2 4.09Å; M114-V118 HydrophobicContact CG-CG2 4.46Å; M114-V118 WeakPolarHBondContact O-CG2 3.37Å; M114-V118 PolarHBondContact O-N 2.78Å; V118-L120 VanDerWaalsContact C-N 3.31Å; V118-L120 PolarHBondContact O-N 3.06Å; V118-V121 PolarHBondContact O-N 2.73Å; V118-Q122 HydrophobicContact CG1-CG 4.43Å; V118-Q122 WeakPolarHBondContact O-CG 3.45Å; V118-Q122 PolarHBondContact O-N 3.27Å; V118-L214 HydrophobicContact CG2-CB 4.46Å; V118-L214 HydrophobicContact CG2-CD1 3.94Å; V118-L217 HydrophobicContact CB-CD2 4.3Å; V118-L217 HydrophobicContact CG1-CD2 3.94Å; V118-L217 HydrophobicContact CG2-CD2 4.13Å
119S96.6Very high95.1Very high65 Ų6538.8 Ų38.846%0.45522%0.217SC..Hα-helixtrans-61.1-40.3178.4-55.90000111.8E115 G116 L117 Q122 E123E115-S119 WeakPolarHBondContact O-CB 3.41Å; E115-S119 PolarHBondContact O-N 3.11Å; E115-S119 PolarHBondContact O-OG 2.95Å; G116-S119 PolarHBondContact O-N 3.24Å; L117-S119 VanDerWaalsContact C-N 3.32Å; S119-Q122 PolarHBondContact O-N 3.36Å; S119-E123 VanDerWaalsContact O-CB 3.29Å; S119-E123 WeakPolarHBondContact O-CB 3.35Å; S119-E123 PolarHBondContact O-N 3.34Å
120L97.1Very high95.5Very high50 Ų5033.3 Ų33.326%0.26219%0.192SC..Hα-helixtrans-62.3-44.1175.5177.467.7000112.1G116 L117 V118 V124 V195G116-L120 PolarHBondContact O-N 3.46Å; L117-L120 HydrophobicContact CD2-CD2 4.49Å; L117-L120 PolarHBondContact O-N 3.48Å; V118-L120 VanDerWaalsContact C-N 3.31Å; V118-L120 PolarHBondContact O-N 3.06Å; L120-V124 HydrophobicContact CD1-CG2 3.82Å; L120-V124 VanDerWaalsContact O-CB 3.32Å; L120-V124 WeakPolarHBondContact O-CB 3.44Å; L120-V124 WeakPolarHBondContact O-CG2 3.28Å; L120-V124 PolarHBondContact O-N 3.21Å; L120-V195 HydrophobicContact CD2-CB 3.85Å; L120-V195 HydrophobicContact CD2-CG1 3.56Å; L120-V195 HydrophobicContact CD2-CG2 4.43Å
121V97.4Very high95.7Very high0 Ų030.9 Ų30.90%018%0.18CC..Hα-helixtrans-64.1-45.7178.4169.30000110.7L117 V118 L125 V126 L196 L217 V218L117-V121 WeakPolarHBondContact O-CG2 3.12Å; L117-V121 PolarHBondContact O-N 2.9Å; V118-V121 PolarHBondContact O-N 2.73Å; V121-L125 HydrophobicContact CG1-CB 4.39Å; V121-L125 HydrophobicContact CG1-CD1 4.09Å; V121-L125 HydrophobicContact CG1-CG 4.46Å; V121-L125 WeakPolarHBondContact O-CA 3.22Å; V121-L125 WeakPolarHBondContact O-CB 3.23Å; V121-L125 PolarHBondContact O-N 2.88Å; V121-V126 PolarHBondContact O-N 3.25Å; V121-L196 HydrophobicContact CG2-CD1 4.2Å; V121-L196 HydrophobicContact CG2-CD2 4.21Å; V121-L217 HydrophobicContact CB-CD2 4.12Å; V121-L217 HydrophobicContact CG1-CD1 4.47Å; V121-L217 HydrophobicContact CG1-CD2 3.89Å; V121-L217 HydrophobicContact CG1-CG 3.87Å; V121-V218 HydrophobicContact CG2-CG2 3.81Å
122Q93.7Very high96Very high59 Ų5929 Ų2928%0.27617%0.171SC..Iπ-helixtrans-63.3-48.8178-71.7176.5-26.100111.6E90 V118 S119 V124 V126E90-Q122 PolarHBondContact OE2-NE2 3.44Å; V118-Q122 HydrophobicContact CG1-CG 4.43Å; V118-Q122 WeakPolarHBondContact O-CG 3.45Å; V118-Q122 PolarHBondContact O-N 3.27Å; S119-Q122 PolarHBondContact O-N 3.36Å; Q122-V124 VanDerWaalsContact C-N 3.33Å; Q122-V124 PolarHBondContact O-N 3.39Å; Q122-V126 VanDerWaalsContact O-CB 3.32Å; Q122-V126 WeakPolarHBondContact O-CB 3.44Å
123E95.2Very high96.2Very high93 Ų9327.1 Ų27.144%0.43515%0.151SC..Iπ-helixtrans-69.8-30.1-176.7-176.951.4-138.700112.7S119 N127 W177S119-E123 VanDerWaalsContact O-CB 3.29Å; S119-E123 WeakPolarHBondContact O-CB 3.35Å; S119-E123 PolarHBondContact O-N 3.34Å; E123-N127 VanDerWaalsContact CD-ND2 3.33Å; E123-N127 WeakPolarHBondContact O-CB 3.47Å; E123-N127 PolarHBondContact O-ND2 2.91Å; E123-N127 PolarHBondContact OE1-ND2 3.48Å; E123-N127 PolarHBondContact OE2-ND2 3.45Å; E123-W177 WeakPolarHBondContact O-CZ2 3.45Å; E123-W177 PolarHBondContact OE1-NE1 3.04Å
124V97.4Very high96.4Very high13 Ų1323.3 Ų23.38%0.07913%0.134CC..Iπ-helixtrans-100.3-59.6-176.8-177.20000112.7L120 Q122 A128 W177 E188 C192L120-V124 HydrophobicContact CD1-CG2 3.82Å; L120-V124 VanDerWaalsContact O-CB 3.32Å; L120-V124 WeakPolarHBondContact O-CB 3.44Å; L120-V124 WeakPolarHBondContact O-CG2 3.28Å; L120-V124 PolarHBondContact O-N 3.21Å; Q122-V124 VanDerWaalsContact C-N 3.33Å; Q122-V124 PolarHBondContact O-N 3.39Å; V124-A128 WeakPolarHBondContact O-CB 3.49Å; V124-A128 PolarHBondContact O-N 3.06Å; V124-W177 HydrophobicContact CG1-CH2 4.16Å; V124-W177 WeakPolarHBondContact O-CH2 3.43Å; V124-E188 HydrophobicContact CG1-CB 4.1Å; V124-C192 HydrophobicContact CB-CB 3.99Å; V124-C192 HydrophobicContact CG1-CB 3.61Å; V124-C192 HydrophobicContact CG2-CB 4.41Å
125L96.7Very high96.5Very high0 Ų024.8 Ų24.80%014%0.143CC..Iπ-helixtrans-72-46.8-171.3-59.4-172.7000111.4V121 N127 A128 E129 M189 C192 H221 L222V121-L125 HydrophobicContact CG1-CB 4.39Å; V121-L125 HydrophobicContact CG1-CD1 4.09Å; V121-L125 HydrophobicContact CG1-CG 4.46Å; V121-L125 WeakPolarHBondContact O-CA 3.22Å; V121-L125 WeakPolarHBondContact O-CB 3.23Å; V121-L125 PolarHBondContact O-N 2.88Å; L125-N127 PolarHBondContact O-N 2.89Å; L125-A128 PolarHBondContact O-N 3.16Å; L125-E129 WeakPolarHBondContact O-CB 3.03Å; L125-E129 WeakPolarHBondContact O-CG 3.36Å; L125-E129 PolarHBondContact O-N 3.44Å; L125-M189 HydrophobicContact CD2-CB 4.43Å; L125-M189 HydrophobicContact CD2-CE 4.34Å; L125-M189 HydrophobicContact CD2-CG 4.35Å; L125-C192 HydrophobicContact CD2-CB 4.3Å; L125-H221 HydrophobicContact CD1-CB 3.86Å; L125-L222 HydrophobicContact CD1-CD2 4.21Å
126V95.7Very high96.6Very high28 Ų2823 Ų2317%0.1714%0.135CC..Iπ-helixtrans-63.4-46.8-179.7-177.20000110.7V121 Q122 A128 E129 L130V121-V126 PolarHBondContact O-N 3.25Å; Q122-V126 VanDerWaalsContact O-CB 3.32Å; Q122-V126 WeakPolarHBondContact O-CB 3.44Å; V126-A128 PolarHBondContact O-N 2.66Å; V126-E129 PolarHBondContact O-N 3.37Å; V126-L130 HydrophobicContact CG1-CD1 4.06Å; V126-L130 WeakPolarHBondContact O-CB 3.42Å; V126-L130 VanDerWaalsContact O-CG 3.31Å; V126-L130 WeakPolarHBondContact O-CG 3.4Å; V126-L130 PolarHBondContact O-N 3.31Å
127N97.1Very high96.6Very high22 Ų2227.7 Ų27.712%0.11814%0.143CC..Hα-helixtrans-63.9-39.1177.2-75.3-29.4000112.5E123 L125 L130 Y131 L172 W177E123-N127 VanDerWaalsContact CD-ND2 3.33Å; E123-N127 WeakPolarHBondContact O-CB 3.47Å; E123-N127 PolarHBondContact O-ND2 2.91Å; E123-N127 PolarHBondContact OE1-ND2 3.48Å; E123-N127 PolarHBondContact OE2-ND2 3.45Å; L125-N127 PolarHBondContact O-N 2.89Å; N127-L130 PolarHBondContact O-N 3.42Å; N127-Y131 WeakPolarHBondContact O-CB 3.33Å; N127-Y131 PolarHBondContact O-N 3.43Å; N127-L172 HydrophobicContact CB-CD2 4.25Å; N127-W177 HydrophobicContact CB-CD2 3.67Å; N127-W177 VanDerWaalsContact CB-CE2 3.5Å; N127-W177 HydrophobicContact CB-CE3 4.16Å; N127-W177 HydrophobicContact CB-CG 4.04Å; N127-W177 HydrophobicContact CB-CH2 4.35Å; N127-W177 HydrophobicContact CB-CZ2 3.91Å; N127-W177 HydrophobicContact CB-CZ3 4.46Å; N127-W177 PolarHBondContact ND2-NE1 2.99Å
128A97.4Very high96.6Very high0 Ų029.3 Ų29.30%016%0.155CC..Hα-helixtrans-64.7-44.7175.500000112V124 L125 V126 L130 Y131 I132 W177 V185 M189V124-A128 WeakPolarHBondContact O-CB 3.49Å; V124-A128 PolarHBondContact O-N 3.06Å; L125-A128 PolarHBondContact O-N 3.16Å; V126-A128 PolarHBondContact O-N 2.66Å; A128-L130 PolarHBondContact O-N 3.47Å; A128-Y131 WeakPolarHBondContact O-CB 3.34Å; A128-Y131 PolarHBondContact O-N 2.94Å; A128-I132 WeakPolarHBondContact O-CB 3.44Å; A128-I132 WeakPolarHBondContact O-CD1 3.01Å; A128-I132 WeakPolarHBondContact O-CG1 3.42Å; A128-I132 PolarHBondContact O-N 3.01Å; A128-W177 HydrophobicContact CB-CH2 4.18Å; A128-W177 HydrophobicContact CB-CZ3 3.81Å; A128-V185 HydrophobicContact CB-CG1 3.75Å; A128-M189 HydrophobicContact CB-CE 4.29Å; A128-M189 HydrophobicContact CB-CG 3.45Å; A128-M189 VanDerWaalsContact CB-CG 3.45Å; A128-M189 HydrophobicContact CB-SD 3.58Å; A128-M189 VanDerWaalsContact CB-SD 3.58Å
129E96.8Very high96.6Very high0 Ų029.1 Ų29.10%015%0.154CC..Hα-helixtrans-61-43.9176.6-73.7166.7-170.600111.6I39 Y40 L125 V126 I132 C133 H221 L225I39-E129 HydrophobicContact CG2-CB 3.97Å; I39-E129 HydrophobicContact CG2-CG 4.24Å; Y40-E129 WeakPolarHBondContact CA-OE2 3.32Å; L125-E129 WeakPolarHBondContact O-CB 3.03Å; L125-E129 WeakPolarHBondContact O-CG 3.36Å; L125-E129 PolarHBondContact O-N 3.44Å; V126-E129 PolarHBondContact O-N 3.37Å; E129-I132 PolarHBondContact O-N 2.89Å; E129-C133 WeakPolarHBondContact O-CB 3.5Å; E129-C133 PolarHBondContact O-N 2.94Å; E129-H221 IonicContact OE1-CE1 2.81Å; E129-H221 IonicContact OE1-CG 3.69Å; E129-H221 IonicContact OE1-ND1 2.73Å; E129-H221 PolarHBondContact OE1-ND1 3.11Å; E129-H221 IonicContact OE2-CE1 3.83Å; E129-H221 PolarHBondContact OE2-CE1 2.99Å; E129-H221 IonicContact OE2-ND1 3.97Å; E129-H221 PolarHBondContact OE2-ND1 3.04Å; E129-H221 VanDerWaalsContact OE2-ND1 3.12Å; E129-L225 HydrophobicContact CG-CD2 4.13Å
130L97Very high96.6Very high26 Ų2626.9 Ų26.914%0.13614%0.136CC..Hα-helixtrans-61.2-45.5173.5-74.4169.3000111.9Y40 V126 N127 A128 C133 W134 I168 L172Y40-L130 HydrophobicContact CD1-CD2 3.79Å; Y40-L130 HydrophobicContact CD1-CG 4.48Å; Y40-L130 HydrophobicContact CD2-CD2 3.78Å; Y40-L130 HydrophobicContact CE1-CD2 3.91Å; Y40-L130 HydrophobicContact CE2-CD2 3.9Å; Y40-L130 HydrophobicContact CG-CD2 3.74Å; Y40-L130 HydrophobicContact CG-CG 4.28Å; V126-L130 HydrophobicContact CG1-CD1 4.06Å; V126-L130 WeakPolarHBondContact O-CB 3.42Å; V126-L130 VanDerWaalsContact O-CG 3.31Å; V126-L130 WeakPolarHBondContact O-CG 3.4Å; V126-L130 PolarHBondContact O-N 3.31Å; N127-L130 PolarHBondContact O-N 3.42Å; A128-L130 PolarHBondContact O-N 3.47Å; L130-C133 PolarHBondContact O-N 2.95Å; L130-W134 WeakPolarHBondContact O-CB 3.31Å; L130-W134 PolarHBondContact O-N 3.12Å; L130-I168 HydrophobicContact CB-CG2 4.12Å; L130-I168 HydrophobicContact CD2-CD1 3.92Å; L130-I168 HydrophobicContact CD2-CG1 4.3Å; L130-I168 HydrophobicContact CD2-CG2 4.08Å; L130-L172 HydrophobicContact CB-CD1 4.47Å; L130-L172 HydrophobicContact CB-CD2 4.27Å
131Y97.9Very high96.5Very high17 Ų1733 Ų337%0.06716%0.156CC..Hα-helixtrans-58.9-48.3176.1179.3-77.7000110.9N127 A128 C133 W134 V135 V136 W177 K180 V185N127-Y131 WeakPolarHBondContact O-CB 3.33Å; N127-Y131 PolarHBondContact O-N 3.43Å; A128-Y131 WeakPolarHBondContact O-CB 3.34Å; A128-Y131 PolarHBondContact O-N 2.94Å; Y131-C133 VanDerWaalsContact C-N 3.33Å; Y131-C133 PolarHBondContact O-N 3.48Å; Y131-W134 PolarHBondContact O-N 3.29Å; Y131-V135 HydrophobicContact CD1-CB 4.24Å; Y131-V135 HydrophobicContact CD2-CB 4.04Å; Y131-V135 HydrophobicContact CD2-CG1 4.28Å; Y131-V135 HydrophobicContact CD2-CG2 3.87Å; Y131-V135 HydrophobicContact CE1-CB 4.18Å; Y131-V135 HydrophobicContact CE1-CG1 4.23Å; Y131-V135 HydrophobicContact CE2-CB 4.02Å; Y131-V135 HydrophobicContact CE2-CG1 3.75Å; Y131-V135 HydrophobicContact CE2-CG2 4.18Å; Y131-V135 HydrophobicContact CG-CB 4.14Å; Y131-V135 HydrophobicContact CG-CG2 4.18Å; Y131-V135 WeakPolarHBondContact O-CA 3.45Å; Y131-V135 VanDerWaalsContact O-CB 3.22Å; Y131-V135 WeakPolarHBondContact O-CB 3.28Å; Y131-V135 PolarHBondContact O-N 3.41Å; Y131-V136 HydrophobicContact CD1-CG2 4Å; Y131-V136 HydrophobicContact CE1-CG2 3.74Å; Y131-V136 PolarHBondContact O-N 3.25Å; Y131-W177 WeakPolarHBondContact CD2-O 3.34Å; Y131-W177 VanDerWaalsContact CE2-O 3.26Å; Y131-W177 WeakPolarHBondContact CE2-O 3.29Å; Y131-K180 PolarHBondContact OH-O 3.2Å; Y131-V185 HydrophobicContact CD1-CB 4.34Å; Y131-V185 HydrophobicContact CD1-CG1 4.17Å; Y131-V185 HydrophobicContact CD1-CG2 3.79Å; Y131-V185 HydrophobicContact CD2-CG2 4.08Å; Y131-V185 HydrophobicContact CE1-CG2 3.89Å; Y131-V185 HydrophobicContact CE2-CG2 4.13Å; Y131-V185 HydrophobicContact CG-CG2 3.91Å
132I97Very high96.4Very high0 Ų040.4 Ų40.40%019%0.188CC..Hα-helixtrans-60.9-43.5180-70.1158.2000110.5A128 E129 V136 V139 M189 L230 L235A128-I132 WeakPolarHBondContact O-CB 3.44Å; A128-I132 WeakPolarHBondContact O-CD1 3.01Å; A128-I132 WeakPolarHBondContact O-CG1 3.42Å; A128-I132 PolarHBondContact O-N 3.01Å; E129-I132 PolarHBondContact O-N 2.89Å; I132-V136 WeakPolarHBondContact O-CB 3.36Å; I132-V139 HydrophobicContact CG2-CG1 4.26Å; I132-V139 HydrophobicContact CG2-CG2 4.29Å; I132-V139 WeakPolarHBondContact O-CB 3.33Å; I132-V139 WeakPolarHBondContact O-CG1 3.34Å; I132-M189 HydrophobicContact CD1-SD 3.92Å; I132-L230 HydrophobicContact CG2-CD1 3.6Å; I132-L235 HydrophobicContact CD1-CD1 3.91Å; I132-L235 HydrophobicContact CD1-CD2 3.64Å; I132-L235 HydrophobicContact CD1-CG 4.4Å
133C95.8Very high96.4Very high3 Ų338.6 Ų38.62%0.0218%0.181CC..Hα-helixtrans-66.9-43178.1-86.50000113.2I39 Y40 E129 L130 Y131 T144I39-C133 VanDerWaalsContact CG2-SG 3.54Å; Y40-C133 HydrophobicContact CD1-CB 4.24Å; Y40-C133 HydrophobicContact CE1-CB 4.1Å; E129-C133 WeakPolarHBondContact O-CB 3.5Å; E129-C133 PolarHBondContact O-N 2.94Å; L130-C133 PolarHBondContact O-N 2.95Å; Y131-C133 VanDerWaalsContact C-N 3.33Å; Y131-C133 PolarHBondContact O-N 3.48Å; C133-T144 WeakPolarHBondContact CA-OG1 3.42Å; C133-T144 HydrophobicContact CB-CG2 4.05Å; C133-T144 VanDerWaalsContact O-CB 3.28Å; C133-T144 WeakPolarHBondContact O-CB 3.2Å; C133-T144 WeakPolarHBondContact O-CG2 3.27Å; C133-T144 PolarHBondContact O-OG1 2.7Å
134W97.3Very high96.3Very high0 Ų034.1 Ų34.10%016%0.16CC..Hα-helixtrans-111.5-8.7-163-65.997.5000115.5L38 Y40 L130 Y131 L140 T144 F148 P161 R164 M165 I168L38-W134 HydrophobicContact CD1-CZ2 3.73Å; Y40-W134 AromaticContact CE1-NE1 3.39Å; Y40-W134 AromaticContact CZ-NE1 3.72Å; Y40-W134 PolarHBondContact OH-NE1 3.39Å; L130-W134 WeakPolarHBondContact O-CB 3.31Å; L130-W134 PolarHBondContact O-N 3.12Å; Y131-W134 PolarHBondContact O-N 3.29Å; W134-L140 HydrophobicContact CE3-CD1 4Å; W134-L140 HydrophobicContact CZ3-CD1 4.5Å; W134-T144 HydrophobicContact CD2-CG2 3.92Å; W134-T144 HydrophobicContact CE3-CG2 4.15Å; W134-T144 HydrophobicContact CH2-CG2 4.09Å; W134-T144 HydrophobicContact CZ2-CG2 3.82Å; W134-T144 HydrophobicContact CZ3-CG2 4.24Å; W134-F148 HydrophobicContact CH2-CD1 4.4Å; W134-F148 HydrophobicContact CH2-CD2 4.25Å; W134-F148 HydrophobicContact CH2-CG 4.14Å; W134-F148 HydrophobicContact CZ2-CD2 4.21Å; W134-F148 HydrophobicContact CZ2-CG 4.49Å; W134-P161 WeakPolarHBondContact CZ3-O 3.37Å; W134-R164 HydrophobicContact CH2-CB 3.8Å; W134-R164 HydrophobicContact CH2-CG 3.62Å; W134-R164 HydrophobicContact CZ2-CB 4.22Å; W134-R164 HydrophobicContact CZ2-CG 3.5Å; W134-R164 HydrophobicContact CZ3-CB 4.34Å; W134-R164 HydrophobicContact CZ3-CG 4.44Å; W134-M165 HydrophobicContact CE3-CB 3.6Å; W134-M165 HydrophobicContact CE3-CE 4.29Å; W134-M165 HydrophobicContact CE3-CG 4.04Å; W134-M165 HydrophobicContact CZ3-CB 3.81Å; W134-I168 HydrophobicContact CB-CG2 3.94Å; W134-I168 HydrophobicContact CD2-CD1 3.94Å; W134-I168 VanDerWaalsContact CE2-CD1 3.5Å; W134-I168 HydrophobicContact CG-CB 4.35Å; W134-I168 HydrophobicContact CG-CD1 3.87Å; W134-I168 HydrophobicContact CG-CG2 3.96Å; W134-I168 HydrophobicContact CZ2-CD1 4.13Å
135V97.1Very high96.2Very high31 Ų3136.2 Ų36.219%0.18817%0.17CC..THydrogen-bonded Turntrans-115.5-42.1179.7-174.30000111.6Y131 K137 L172 L178Y131-V135 HydrophobicContact CD1-CB 4.24Å; Y131-V135 HydrophobicContact CD2-CB 4.04Å; Y131-V135 HydrophobicContact CD2-CG1 4.28Å; Y131-V135 HydrophobicContact CD2-CG2 3.87Å; Y131-V135 HydrophobicContact CE1-CB 4.18Å; Y131-V135 HydrophobicContact CE1-CG1 4.23Å; Y131-V135 HydrophobicContact CE2-CB 4.02Å; Y131-V135 HydrophobicContact CE2-CG1 3.75Å; Y131-V135 HydrophobicContact CE2-CG2 4.18Å; Y131-V135 HydrophobicContact CG-CB 4.14Å; Y131-V135 HydrophobicContact CG-CG2 4.18Å; Y131-V135 WeakPolarHBondContact O-CA 3.45Å; Y131-V135 VanDerWaalsContact O-CB 3.22Å; Y131-V135 WeakPolarHBondContact O-CB 3.28Å; Y131-V135 PolarHBondContact O-N 3.41Å; V135-K137 PolarHBondContact O-N 3.02Å; V135-L172 HydrophobicContact CG2-CD1 3.98Å; V135-L178 HydrophobicContact CG2-CD1 3.88Å
136V96.9Very high96Very high14 Ų1439.1 Ų39.19%0.08519%0.189CC..  trans-69.8103.1-176.8179.30000110.6Y131 I132 V139 L140 L182 V233Y131-V136 HydrophobicContact CD1-CG2 4Å; Y131-V136 HydrophobicContact CE1-CG2 3.74Å; Y131-V136 PolarHBondContact O-N 3.25Å; I132-V136 WeakPolarHBondContact O-CB 3.36Å; V136-V139 HydrophobicContact CB-CB 4.33Å; V136-V139 HydrophobicContact CB-CG2 4.34Å; V136-V139 HydrophobicContact CG1-CB 4.3Å; V136-V139 HydrophobicContact CG1-CG2 3.9Å; V136-V139 PolarHBondContact O-N 3.18Å; V136-L140 WeakPolarHBondContact O-CB 3.44Å; V136-L140 PolarHBondContact O-N 3.19Å; V136-L182 HydrophobicContact CG1-CD2 4.42Å; V136-L182 HydrophobicContact CG2-CD1 3.85Å; V136-V233 HydrophobicContact CG1-CG2 4.47Å
137K96.3Very high95.8Very high142 Ų14240.9 Ų40.962%0.61719%0.193SC*.Hα-helixtrans-51.5-44.8-170-65.5174.7-178170.30114.9V135 R141V135-K137 PolarHBondContact O-N 3.02Å; K137-R141 WeakPolarHBondContact O-CB 3.41Å; K137-R141 WeakPolarHBondContact O-CG 3.49Å; K137-R141 PolarHBondContact O-N 3.43Å
138P96.4Very high95.5Very high49 Ų4940.7 Ų40.732%0.31819%0.191SC..Hα-helixtrans-60.6-45.7176.9-25.535.5000113.2K142 P231 T232P138-K142 VanDerWaalsContact O-CB 3.28Å; P138-K142 WeakPolarHBondContact O-CB 3.43Å; P138-K142 WeakPolarHBondContact O-CG 3.22Å; P138-K142 PolarHBondContact O-N 2.9Å; P138-K142 VanDerWaalsContact O-N 3.07Å; P138-P231 HydrophobicContact CB-CB 4.48Å; P138-T232 HydrophobicContact CB-CG2 4.21Å; P138-T232 HydrophobicContact CG-CG2 4.35Å
139V95.8Very high95.2Very high0 Ų041.4 Ų41.40%020%0.196CC..Hα-helixtrans-66.3-48.2178.2178.60000110.1I132 V136 R141 K142 V143 T144 L230 V233I132-V139 HydrophobicContact CG2-CG1 4.26Å; I132-V139 HydrophobicContact CG2-CG2 4.29Å; I132-V139 WeakPolarHBondContact O-CB 3.33Å; I132-V139 WeakPolarHBondContact O-CG1 3.34Å; V136-V139 HydrophobicContact CB-CB 4.33Å; V136-V139 HydrophobicContact CB-CG2 4.34Å; V136-V139 HydrophobicContact CG1-CB 4.3Å; V136-V139 HydrophobicContact CG1-CG2 3.9Å; V136-V139 PolarHBondContact O-N 3.18Å; V139-R141 VanDerWaalsContact C-N 3.34Å; V139-R141 PolarHBondContact O-N 3.19Å; V139-K142 PolarHBondContact O-N 3.4Å; V139-V143 HydrophobicContact CG1-CB 4.35Å; V139-V143 WeakPolarHBondContact O-CA 3.26Å; V139-V143 WeakPolarHBondContact O-CB 3.32Å; V139-V143 PolarHBondContact O-N 3.2Å; V139-T144 PolarHBondContact O-N 3.26Å; V139-L230 HydrophobicContact CG1-CD2 4.17Å; V139-L230 HydrophobicContact CG2-CB 4.37Å; V139-V233 HydrophobicContact CG2-CG2 4.39Å
140L96.3Very high94.8Very high18 Ų1845.3 Ų45.39%0.09422%0.222CC..Iπ-helixtrans-54.1-48.5179.4174.764.4000112.4W134 V136 T144 I145 M165W134-L140 HydrophobicContact CE3-CD1 4Å; W134-L140 HydrophobicContact CZ3-CD1 4.5Å; V136-L140 WeakPolarHBondContact O-CB 3.44Å; V136-L140 PolarHBondContact O-N 3.19Å; L140-T144 HydrophobicContact CD1-CG2 4.37Å; L140-I145 HydrophobicContact CD1-CD1 3.91Å; L140-I145 HydrophobicContact CD1-CG1 3.78Å; L140-I145 HydrophobicContact CG-CD1 4Å; L140-I145 HydrophobicContact CG-CG1 4.3Å; L140-I145 WeakPolarHBondContact O-CB 2.86Å; L140-I145 WeakPolarHBondContact O-CG1 3.25Å; L140-I145 PolarHBondContact O-N 3.44Å; L140-M165 HydrophobicContact CD1-CE 3.58Å; L140-M165 HydrophobicContact CD2-CE 3.66Å; L140-M165 HydrophobicContact CD2-SD 4.49Å; L140-M165 HydrophobicContact CG-CE 4.15Å
141R95.7Very high94.1Very high177 Ų17747 Ų4767%0.66823%0.228SC*.Iπ-helixtrans-78.4-37-175.1-69.1177.3179.9175.6-2113.4K137 V139 P146K137-R141 WeakPolarHBondContact O-CB 3.41Å; K137-R141 WeakPolarHBondContact O-CG 3.49Å; K137-R141 PolarHBondContact O-N 3.43Å; V139-R141 VanDerWaalsContact C-N 3.34Å; V139-R141 PolarHBondContact O-N 3.19Å; R141-P146 WeakPolarHBondContact O-CD 3.36Å; R141-P146 WeakPolarHBondContact O-CG 3.34Å
142K94.5Very high93.7Very high157 Ų15748.5 Ų48.568%0.68323%0.234SC*.Iπ-helixtrans-94.6-23.9-172.9-63.9-175.8176.4-174.90113.7P138 V139 P231P138-K142 VanDerWaalsContact O-CB 3.28Å; P138-K142 WeakPolarHBondContact O-CB 3.43Å; P138-K142 WeakPolarHBondContact O-CG 3.22Å; P138-K142 PolarHBondContact O-N 2.9Å; P138-K142 VanDerWaalsContact O-N 3.07Å; V139-K142 PolarHBondContact O-N 3.4Å; K142-P231 HydrophobicContact CB-CG 4.21Å; K142-P231 HydrophobicContact CD-CB 4.48Å; K142-P231 HydrophobicContact CD-CG 4.39Å
143V93.4Very high93.4Very high20 Ų2053.2 Ų53.212%0.12127%0.267CS..Iπ-helixtrans-122.8-61.8-173.9-176.20000110.7V139 P146 R147 L230 P231V139-V143 HydrophobicContact CG1-CB 4.35Å; V139-V143 WeakPolarHBondContact O-CA 3.26Å; V139-V143 WeakPolarHBondContact O-CB 3.32Å; V139-V143 PolarHBondContact O-N 3.2Å; V143-P146 WeakPolarHBondContact O-CD 3.49Å; V143-R147 VanDerWaalsContact O-CB 3.3Å; V143-R147 WeakPolarHBondContact O-CB 3.21Å; V143-R147 VanDerWaalsContact O-CG 3.28Å; V143-R147 WeakPolarHBondContact O-CG 3.21Å; V143-R147 PolarHBondContact O-N 3.12Å; V143-L230 HydrophobicContact CG1-CD2 4.29Å; V143-P231 VanDerWaalsContact CG2-CD 3.42Å; V143-P231 HydrophobicContact CG2-CG 3.68Å
144T94.5Very high93.2Very high0 Ų062.8 Ų62.80%030%0.303CS..Iπ-helixtrans-63.9-55.8-168.5-48.20000112.9L38 C133 W134 V139 L140 R147 F148L38-T144 HydrophobicContact CD1-CG2 3.99Å; L38-T144 HydrophobicContact CD2-CG2 3.85Å; C133-T144 WeakPolarHBondContact CA-OG1 3.42Å; C133-T144 HydrophobicContact CB-CG2 4.05Å; C133-T144 VanDerWaalsContact O-CB 3.28Å; C133-T144 WeakPolarHBondContact O-CB 3.2Å; C133-T144 WeakPolarHBondContact O-CG2 3.27Å; C133-T144 PolarHBondContact O-OG1 2.7Å; W134-T144 HydrophobicContact CD2-CG2 3.92Å; W134-T144 HydrophobicContact CE3-CG2 4.15Å; W134-T144 HydrophobicContact CH2-CG2 4.09Å; W134-T144 HydrophobicContact CZ2-CG2 3.82Å; W134-T144 HydrophobicContact CZ3-CG2 4.24Å; V139-T144 PolarHBondContact O-N 3.26Å; L140-T144 HydrophobicContact CD1-CG2 4.37Å; T144-R147 PolarHBondContact O-N 3.28Å; T144-F148 WeakPolarHBondContact O-CB 3.33Å; T144-F148 PolarHBondContact O-N 2.82Å
145I94.7Very high93.1Very high56 Ų5665.2 Ų65.229%0.28732%0.319SS..Hα-helixtrans-62.7-50.3-179.6-69.9172.1000110.8L140 R147 F148 S149 P161 M165L140-I145 HydrophobicContact CD1-CD1 3.91Å; L140-I145 HydrophobicContact CD1-CG1 3.78Å; L140-I145 HydrophobicContact CG-CD1 4Å; L140-I145 HydrophobicContact CG-CG1 4.3Å; L140-I145 WeakPolarHBondContact O-CB 2.86Å; L140-I145 WeakPolarHBondContact O-CG1 3.25Å; L140-I145 PolarHBondContact O-N 3.44Å; I145-R147 PolarHBondContact O-N 3.46Å; I145-F148 PolarHBondContact O-N 3.35Å; I145-S149 WeakPolarHBondContact O-CB 3.42Å; I145-S149 PolarHBondContact O-N 3.4Å; I145-S149 PolarHBondContact O-OG 2.9Å; I145-P161 HydrophobicContact CG1-CB 4.49Å; I145-M165 HydrophobicContact CD1-CE 4.32Å
146P92.6Very high92.9Very high61 Ų6167.8 Ų67.840%0.39633%0.331SS..Hα-helixtrans-56-45.1178.5-29.337.4000113.7R141 V143 C150R141-P146 WeakPolarHBondContact O-CD 3.36Å; R141-P146 WeakPolarHBondContact O-CG 3.34Å; V143-P146 WeakPolarHBondContact O-CD 3.49Å; P146-C150 WeakPolarHBondContact O-CB 3.39Å; P146-C150 PolarHBondContact O-N 3.33Å
147R91.4Very high92.6Very high65 Ų6569 Ų6925%0.24534%0.337CS..Hα-helixtrans-67.9-44.4178.6-72.2-177.3-179.1-157.8-1112.7A34 E35 A37 L38 V143 T144 I145 S149 C150A34-R147 PolarHBondContact O-NH1 3.24Å; E35-R147 WeakPolarHBondContact O-CD 3.46Å; E35-R147 PolarHBondContact O-NE 2.91Å; E35-R147 VanDerWaalsContact O-NE 3.12Å; E35-R147 PolarHBondContact O-NH1 2.98Å; A37-R147 PolarHBondContact O-NH1 3.11Å; L38-R147 HydrophobicContact CD2-CB 4.14Å; V143-R147 VanDerWaalsContact O-CB 3.3Å; V143-R147 WeakPolarHBondContact O-CB 3.21Å; V143-R147 VanDerWaalsContact O-CG 3.28Å; V143-R147 WeakPolarHBondContact O-CG 3.21Å; V143-R147 PolarHBondContact O-N 3.12Å; T144-R147 PolarHBondContact O-N 3.28Å; I145-R147 PolarHBondContact O-N 3.46Å; R147-S149 VanDerWaalsContact C-N 3.3Å; R147-S149 PolarHBondContact O-N 2.94Å; R147-C150 PolarHBondContact O-SG 3.19Å
148F90.3Very high92.5Very high19 Ų1968 Ų688%0.08333%0.334CS..Hα-helixtrans-68.4-32.3-179.8-171.2-89.9000112.1L38 W134 T144 I145 Y152 L160 P161 R164L38-F148 HydrophobicContact CD1-CB 4.32Å; L38-F148 HydrophobicContact CD1-CD2 3.85Å; W134-F148 HydrophobicContact CH2-CD1 4.4Å; W134-F148 HydrophobicContact CH2-CD2 4.25Å; W134-F148 HydrophobicContact CH2-CG 4.14Å; W134-F148 HydrophobicContact CZ2-CD2 4.21Å; W134-F148 HydrophobicContact CZ2-CG 4.49Å; T144-F148 WeakPolarHBondContact O-CB 3.33Å; T144-F148 PolarHBondContact O-N 2.82Å; I145-F148 PolarHBondContact O-N 3.35Å; F148-Y152 HydrophobicContact CE1-CE2 4.4Å; F148-Y152 VanDerWaalsContact O-CE2 3.22Å; F148-Y152 WeakPolarHBondContact O-CE2 3.5Å; F148-L160 HydrophobicContact CE1-CB 4Å; F148-P161 HydrophobicContact CD1-CB 3.93Å; F148-P161 HydrophobicContact CD1-CG 3.82Å; F148-P161 HydrophobicContact CE1-CB 4.38Å; F148-P161 HydrophobicContact CE1-CG 4.31Å; F148-R164 HydrophobicContact CE1-CB 4.28Å; F148-R164 HydrophobicContact CE2-CB 4.45Å; F148-R164 HydrophobicContact CE2-CG 4Å; F148-R164 HydrophobicContact CZ-CB 3.91Å; F148-R164 HydrophobicContact CZ-CG 3.94Å
149S91.2Very high92.4Very high14 Ų1469.8 Ų69.810%0.09834%0.34CS..Hα-helixtrans-92.6-17.1-171-46.40000114.4I145 R147 F151 Y152 N157 P161I145-S149 WeakPolarHBondContact O-CB 3.42Å; I145-S149 PolarHBondContact O-N 3.4Å; I145-S149 PolarHBondContact O-OG 2.9Å; R147-S149 VanDerWaalsContact C-N 3.3Å; R147-S149 PolarHBondContact O-N 2.94Å; S149-F151 PolarHBondContact O-N 3.16Å; S149-Y152 PolarHBondContact O-N 3.39Å; S149-N157 WeakPolarHBondContact CB-O 3.47Å; S149-N157 PolarHBondContact OG-O 3.35Å; S149-P161 WeakPolarHBondContact OG-CG 3.42Å
150C88.2Confident92.3Very high82 Ų8271.6 Ų71.655%0.55435%0.35SS*.THydrogen-bonded Turntrans-63.5-16.1-167.2630000114.7P146 R147P146-C150 WeakPolarHBondContact O-CB 3.39Å; P146-C150 PolarHBondContact O-N 3.33Å; R147-C150 PolarHBondContact O-SG 3.19Å
151F83.7Confident92.1Very high61 Ų6170.9 Ų70.927%0.26835%0.346SS..THydrogen-bonded Turntrans-93.4-8179.3-49.7-66.2000114.3Q36 Q65 S149Q36-F151 HydrophobicContact CB-CZ 3.92Å; Q36-F151 HydrophobicContact CG-CZ 4.3Å; Q36-F151 VanDerWaalsContact OE1-CZ 3.27Å; Q65-F151 HydrophobicContact CB-CD1 4.33Å; Q65-F151 HydrophobicContact CB-CG 4.37Å; Q65-F151 HydrophobicContact CG-CD1 3.93Å; Q65-F151 HydrophobicContact CG-CE1 4.16Å; Q65-F151 HydrophobicContact CG-CG 4.46Å; S149-F151 PolarHBondContact O-N 3.16Å
152Y87.7Confident92.1Very high50 Ų5070 Ų7020%0.19634%0.343CS..  trans-108.2140.7-175.6-53.6-66.9000110.4Y69 F148 S149 L156 N157 L160Y69-Y152 VanDerWaalsContact CE2-OH 3.23Å; Y69-Y152 WeakPolarHBondContact CE2-OH 3.46Å; Y69-Y152 PolarHBondContact OH-OH 3.29Å; F148-Y152 HydrophobicContact CE1-CE2 4.4Å; F148-Y152 VanDerWaalsContact O-CE2 3.22Å; F148-Y152 WeakPolarHBondContact O-CE2 3.5Å; S149-Y152 PolarHBondContact O-N 3.39Å; Y152-L156 HydrophobicContact CG-CB 4.5Å; Y152-N157 WeakPolarHBondContact O-CB 3.42Å; Y152-L160 HydrophobicContact CD1-CD1 3.55Å; Y152-L160 HydrophobicContact CD2-CD1 3.82Å; Y152-L160 HydrophobicContact CE1-CD1 3.53Å; Y152-L160 HydrophobicContact CE2-CD1 3.81Å; Y152-L160 HydrophobicContact CG-CD1 3.7Å
153S92.1Very high92.2Very high98 Ų9864.4 Ų64.469%0.68533%0.326SS*.  trans-81163.2168.3-55.20000110.8L156 N157S153-L156 WeakPolarHBondContact O-CB 3.4Å; S153-L156 PolarHBondContact O-N 3.23Å; S153-N157 PolarHBondContact O-N 2.93Å; S153-N157 VanDerWaalsContact O-N 3.15Å
154W92.1Very high92.2Very high204 Ų20465.7 Ų65.777%0.77333%0.329SS*.THydrogen-bonded Turntrans-58.3136.7168.3-176.593000110.4N157 H158W154-N157 WeakPolarHBondContact CA-OD1 3.39Å; W154-H158 AromaticContact CD1-CD2 3.85Å
155P93.9Very high92.3Very high51 Ų5167.1 Ų67.133%0.33134%0.336SS..THydrogen-bonded Turncis-93.6-2.74.136.4-35.8000114.8N157 H158 I159P155-N157 VanDerWaalsContact C-N 3.25Å; P155-N157 PolarHBondContact O-N 2.88Å; P155-H158 PolarHBondContact O-N 3.15Å; P155-I159 HydrophobicContact CB-CD1 3.99Å; P155-I159 HydrophobicContact CG-CD1 4.01Å; P155-I159 WeakPolarHBondContact O-CG1 3.32Å; P155-I159 PolarHBondContact O-N 2.89Å
156L92.3Very high92.4Very high86 Ų8671.2 Ų71.245%0.4535%0.351SS..Hα-helixtrans-62.2-32.1-173.4-68.7177.3000112.9Y152 S153 H158 I159 L160Y152-L156 HydrophobicContact CG-CB 4.5Å; S153-L156 WeakPolarHBondContact O-CB 3.4Å; S153-L156 PolarHBondContact O-N 3.23Å; L156-H158 PolarHBondContact O-N 2.91Å; L156-H158 VanDerWaalsContact O-N 3.08Å; L156-I159 PolarHBondContact O-N 3.49Å; L156-L160 HydrophobicContact CB-CD1 4.06Å; L156-L160 HydrophobicContact CB-CG 4.37Å; L156-L160 HydrophobicContact CD2-CG 4.45Å; L156-L160 WeakPolarHBondContact O-CB 3.33Å; L156-L160 WeakPolarHBondContact O-CG 3.19Å; L156-L160 PolarHBondContact O-N 2.9Å
157N92Very high92.6Very high38 Ų3872.3 Ų72.320%0.20336%0.357CS..Hα-helixtrans-60-14.1173.971.7-27.9000114.6S149 Y152 S153 W154 P155 P161S149-N157 WeakPolarHBondContact CB-O 3.47Å; S149-N157 PolarHBondContact OG-O 3.35Å; Y152-N157 WeakPolarHBondContact O-CB 3.42Å; S153-N157 PolarHBondContact O-N 2.93Å; S153-N157 VanDerWaalsContact O-N 3.15Å; W154-N157 WeakPolarHBondContact CA-OD1 3.39Å; P155-N157 VanDerWaalsContact C-N 3.25Å; P155-N157 PolarHBondContact O-N 2.88Å; N157-P161 WeakPolarHBondContact O-CD 3.29Å; N157-P161 WeakPolarHBondContact O-CG 3.39Å
158H93Very high92.8Very high121 Ų12169.6 Ų69.656%0.5635%0.347SS*.Hα-helixtrans-107.5-39.3172.3-65-68.3000112.2W154 P155 L156 W162W154-H158 AromaticContact CD1-CD2 3.85Å; P155-H158 PolarHBondContact O-N 3.15Å; L156-H158 PolarHBondContact O-N 2.91Å; L156-H158 VanDerWaalsContact O-N 3.08Å; H158-W162 WeakPolarHBondContact O-CB 3.38Å; H158-W162 PolarHBondContact O-N 3.19Å
159I95.2Very high93.1Very high87 Ų8773.9 Ų73.945%0.44636%0.363SS..Hα-helixtrans-67.5-47.3-176.8-63.9170.2000111P155 L156 W162 A163P155-I159 HydrophobicContact CB-CD1 3.99Å; P155-I159 HydrophobicContact CG-CD1 4.01Å; P155-I159 WeakPolarHBondContact O-CG1 3.32Å; P155-I159 PolarHBondContact O-N 2.89Å; L156-I159 PolarHBondContact O-N 3.49Å; I159-W162 PolarHBondContact O-N 3.29Å; I159-A163 WeakPolarHBondContact O-CB 3.39Å; I159-A163 PolarHBondContact O-N 3.12Å
160L92.9Very high93.4Very high38 Ų3875.2 Ų75.220%0.19938%0.379CS..Hα-helixtrans-66.8-47.2-175.1-63.8173.3000113F148 Y152 L156 W162 A163 R164F148-L160 HydrophobicContact CE1-CB 4Å; Y152-L160 HydrophobicContact CD1-CD1 3.55Å; Y152-L160 HydrophobicContact CD2-CD1 3.82Å; Y152-L160 HydrophobicContact CE1-CD1 3.53Å; Y152-L160 HydrophobicContact CE2-CD1 3.81Å; Y152-L160 HydrophobicContact CG-CD1 3.7Å; L156-L160 HydrophobicContact CB-CD1 4.06Å; L156-L160 HydrophobicContact CB-CG 4.37Å; L156-L160 HydrophobicContact CD2-CG 4.45Å; L156-L160 WeakPolarHBondContact O-CB 3.33Å; L156-L160 WeakPolarHBondContact O-CG 3.19Å; L156-L160 PolarHBondContact O-N 2.9Å; L160-W162 VanDerWaalsContact C-N 3.29Å; L160-W162 PolarHBondContact O-N 3.3Å; L160-A163 PolarHBondContact O-N 2.72Å; L160-R164 WeakPolarHBondContact O-CB 3.47Å; L160-R164 PolarHBondContact O-N 3.28Å
161P93.3Very high93.8Very high4 Ų476.1 Ų76.13%0.02638%0.378CS..Hα-helixtrans-61.8-37.6175.1-13.120.4000112.4W134 I145 F148 S149 N157 R164 M165W134-P161 WeakPolarHBondContact CZ3-O 3.37Å; I145-P161 HydrophobicContact CG1-CB 4.49Å; F148-P161 HydrophobicContact CD1-CB 3.93Å; F148-P161 HydrophobicContact CD1-CG 3.82Å; F148-P161 HydrophobicContact CE1-CB 4.38Å; F148-P161 HydrophobicContact CE1-CG 4.31Å; S149-P161 WeakPolarHBondContact OG-CG 3.42Å; N157-P161 WeakPolarHBondContact O-CD 3.29Å; N157-P161 WeakPolarHBondContact O-CG 3.39Å; P161-R164 PolarHBondContact O-N 3.21Å; P161-M165 WeakPolarHBondContact O-CB 3.42Å; P161-M165 PolarHBondContact O-N 2.74Å
162W95.6Very high94.4Very high158 Ų15873.2 Ų73.260%0.59837%0.366SS*.Hα-helixtrans-64-45.1176.2173.385.2000111.7H158 I159 L160 M165 K166H158-W162 WeakPolarHBondContact O-CB 3.38Å; H158-W162 PolarHBondContact O-N 3.19Å; I159-W162 PolarHBondContact O-N 3.29Å; L160-W162 VanDerWaalsContact C-N 3.29Å; L160-W162 PolarHBondContact O-N 3.3Å; W162-M165 PolarHBondContact O-N 3.08Å; W162-K166 HydrophobicContact CH2-CD 4.2Å; W162-K166 HydrophobicContact CZ2-CD 4.24Å; W162-K166 PolarHBondContact O-N 3.26Å
163A95.5Very high94.9Very high39 Ų3972.3 Ų72.332%0.32237%0.372SS..Hα-helixtrans-62.2-46.5177.200000111.1I159 L160 K166 V167I159-A163 WeakPolarHBondContact O-CB 3.39Å; I159-A163 PolarHBondContact O-N 3.12Å; L160-A163 PolarHBondContact O-N 2.72Å; A163-K166 PolarHBondContact O-N 3.28Å; A163-V167 PolarHBondContact O-N 3.04Å; A163-V167 VanDerWaalsContact O-N 3.14Å
164R94.1Very high95Very high47 Ų4771.8 Ų71.818%0.17737%0.373CS..Hα-helixtrans-61.1-45.8177.1-171.571.2-178.3-174.58111.5E68 W134 F148 L160 P161 K166 V167 I168E68-R164 IonicContact OE1-CZ 3.96Å; E68-R164 IonicContact OE1-NH1 3.58Å; E68-R164 PolarHBondContact OE1-NH1 2.94Å; E68-R164 IonicContact OE2-NH1 3.56Å; W134-R164 HydrophobicContact CH2-CB 3.8Å; W134-R164 HydrophobicContact CH2-CG 3.62Å; W134-R164 HydrophobicContact CZ2-CB 4.22Å; W134-R164 HydrophobicContact CZ2-CG 3.5Å; W134-R164 HydrophobicContact CZ3-CB 4.34Å; W134-R164 HydrophobicContact CZ3-CG 4.44Å; F148-R164 HydrophobicContact CE1-CB 4.28Å; F148-R164 HydrophobicContact CE2-CB 4.45Å; F148-R164 HydrophobicContact CE2-CG 4Å; F148-R164 HydrophobicContact CZ-CB 3.91Å; F148-R164 HydrophobicContact CZ-CG 3.94Å; L160-R164 WeakPolarHBondContact O-CB 3.47Å; L160-R164 PolarHBondContact O-N 3.28Å; P161-R164 PolarHBondContact O-N 3.21Å; R164-K166 VanDerWaalsContact C-N 3.31Å; R164-K166 PolarHBondContact O-N 2.88Å; R164-V167 PolarHBondContact O-N 3.38Å; R164-I168 HydrophobicContact CG-CD1 3.88Å; R164-I168 WeakPolarHBondContact O-CG1 3.3Å; R164-I168 PolarHBondContact O-N 3.46Å
165M96.3Very high95Very high31 Ų3164.2 Ų64.215%0.15335%0.351CS..Hα-helixtrans-57.8-43.1175.5-176.9-172.6-58.200111.9W134 L140 I145 P161 W162 I168 R169W134-M165 HydrophobicContact CE3-CB 3.6Å; W134-M165 HydrophobicContact CE3-CE 4.29Å; W134-M165 HydrophobicContact CE3-CG 4.04Å; W134-M165 HydrophobicContact CZ3-CB 3.81Å; L140-M165 HydrophobicContact CD1-CE 3.58Å; L140-M165 HydrophobicContact CD2-CE 3.66Å; L140-M165 HydrophobicContact CD2-SD 4.49Å; L140-M165 HydrophobicContact CG-CE 4.15Å; I145-M165 HydrophobicContact CD1-CE 4.32Å; P161-M165 WeakPolarHBondContact O-CB 3.42Å; P161-M165 PolarHBondContact O-N 2.74Å; W162-M165 PolarHBondContact O-N 3.08Å; M165-I168 PolarHBondContact O-N 2.95Å; M165-R169 HydrophobicContact CG-CG 4.21Å; M165-R169 VanDerWaalsContact O-CB 3.3Å; M165-R169 WeakPolarHBondContact O-CB 3.23Å; M165-R169 VanDerWaalsContact O-CG 3.26Å; M165-R169 WeakPolarHBondContact O-CG 3.33Å; M165-R169 PolarHBondContact O-N 3.31Å
166K97.1Very high95.1Very high141 Ų14167.6 Ų67.661%0.61337%0.366SS*.Hα-helixtrans-63.2-43.7-179.7-173.6178.2178.4-1790111.6W162 A163 R164 G170W162-K166 HydrophobicContact CH2-CD 4.2Å; W162-K166 HydrophobicContact CZ2-CD 4.24Å; W162-K166 PolarHBondContact O-N 3.26Å; A163-K166 PolarHBondContact O-N 3.28Å; R164-K166 VanDerWaalsContact C-N 3.31Å; R164-K166 PolarHBondContact O-N 2.88Å; K166-G170 PolarHBondContact O-N 3.33Å
167V95.9Very high95.3Very high85 Ų8563.7 Ų63.752%0.51535%0.346SS..Hα-helixtrans-62.8-51.9176.7173.60000110.5A163 R164 R169 G170 N171A163-V167 PolarHBondContact O-N 3.04Å; A163-V167 VanDerWaalsContact O-N 3.14Å; R164-V167 PolarHBondContact O-N 3.38Å; V167-R169 PolarHBondContact O-N 3.1Å; V167-G170 WeakPolarHBondContact O-CA 3.48Å; V167-G170 PolarHBondContact O-N 2.99Å; V167-G170 VanDerWaalsContact O-N 3.11Å; V167-N171 PolarHBondContact O-N 3.43Å; V167-N171 PolarHBondContact O-OD1 2.87Å
168I96.4Very high95.5Very high7 Ų764.1 Ų64.14%0.03635%0.348CS..Hα-helixtrans-63.2-43.3-176.7-69.4172.5000111.5L130 W134 R164 M165 G170 N171 L172L130-I168 HydrophobicContact CB-CG2 4.12Å; L130-I168 HydrophobicContact CD2-CD1 3.92Å; L130-I168 HydrophobicContact CD2-CG1 4.3Å; L130-I168 HydrophobicContact CD2-CG2 4.08Å; W134-I168 HydrophobicContact CB-CG2 3.94Å; W134-I168 HydrophobicContact CD2-CD1 3.94Å; W134-I168 VanDerWaalsContact CE2-CD1 3.5Å; W134-I168 HydrophobicContact CG-CB 4.35Å; W134-I168 HydrophobicContact CG-CD1 3.87Å; W134-I168 HydrophobicContact CG-CG2 3.96Å; W134-I168 HydrophobicContact CZ2-CD1 4.13Å; R164-I168 HydrophobicContact CG-CD1 3.88Å; R164-I168 WeakPolarHBondContact O-CG1 3.3Å; R164-I168 PolarHBondContact O-N 3.46Å; M165-I168 PolarHBondContact O-N 2.95Å; I168-G170 VanDerWaalsContact C-N 3.28Å; I168-G170 PolarHBondContact O-N 3.19Å; I168-N171 PolarHBondContact O-N 3.01Å; I168-L172 HydrophobicContact CG2-CD1 3.87Å; I168-L172 HydrophobicContact CG2-CG 4.27Å; I168-L172 WeakPolarHBondContact O-CB 3.28Å; I168-L172 WeakPolarHBondContact O-CG 3.33Å; I168-L172 PolarHBondContact O-N 3.39Å
169R97.4Very high95.6Very high109 Ų10965.4 Ų65.441%0.41136%0.359SS..Hα-helixtrans-66.7-31176.7-70.1178.566.3168.71.1112.6M165 V167 G173 L178M165-R169 HydrophobicContact CG-CG 4.21Å; M165-R169 VanDerWaalsContact O-CB 3.3Å; M165-R169 WeakPolarHBondContact O-CB 3.23Å; M165-R169 VanDerWaalsContact O-CG 3.26Å; M165-R169 WeakPolarHBondContact O-CG 3.33Å; M165-R169 PolarHBondContact O-N 3.31Å; V167-R169 PolarHBondContact O-N 3.1Å; R169-G173 PolarHBondContact O-N 3.41Å; R169-L178 HydrophobicContact CB-CD1 4.23Å; R169-L178 HydrophobicContact CG-CD1 4.14Å
170G97.5Very high95.7Very high43 Ų4363.4 Ų63.444%0.44335%0.347SS..Hα-helixtrans-62.4-48.8170.500000111.7K166 V167 I168 G173 A174K166-G170 PolarHBondContact O-N 3.33Å; V167-G170 WeakPolarHBondContact O-CA 3.48Å; V167-G170 PolarHBondContact O-N 2.99Å; V167-G170 VanDerWaalsContact O-N 3.11Å; I168-G170 VanDerWaalsContact C-N 3.28Å; I168-G170 PolarHBondContact O-N 3.19Å; G170-G173 PolarHBondContact O-N 2.9Å; G170-A174 PolarHBondContact O-N 3.23Å
171N95.6Very high95.9Very high100 Ų10064 Ų6454%0.53536%0.355SS..Hα-helixtrans-63.2-45.7178.2-64.4-2.2000111.8V167 I168 G173 A174 S175V167-N171 PolarHBondContact O-N 3.43Å; V167-N171 PolarHBondContact O-OD1 2.87Å; I168-N171 PolarHBondContact O-N 3.01Å; N171-G173 PolarHBondContact O-N 3.14Å; N171-A174 PolarHBondContact O-N 3.02Å; N171-A174 VanDerWaalsContact O-N 3.09Å; N171-S175 PolarHBondContact O-N 2.73Å; N171-S175 VanDerWaalsContact O-N 3.16Å
172L97.3Very high96.1Very high1 Ų166.1 Ų66.11%0.00537%0.365CS..Hα-helixtrans-63.3-30175.2-68.9172.4000112.5N127 L130 V135 I168 D176 W177 L178N127-L172 HydrophobicContact CB-CD2 4.25Å; L130-L172 HydrophobicContact CB-CD1 4.47Å; L130-L172 HydrophobicContact CB-CD2 4.27Å; V135-L172 HydrophobicContact CG2-CD1 3.98Å; I168-L172 HydrophobicContact CG2-CD1 3.87Å; I168-L172 HydrophobicContact CG2-CG 4.27Å; I168-L172 WeakPolarHBondContact O-CB 3.28Å; I168-L172 WeakPolarHBondContact O-CG 3.33Å; I168-L172 PolarHBondContact O-N 3.39Å; L172-D176 PolarHBondContact O-N 3.45Å; L172-W177 HydrophobicContact CB-CB 4.15Å; L172-W177 HydrophobicContact CD2-CB 3.76Å; L172-W177 HydrophobicContact CD2-CG 4.29Å; L172-W177 WeakPolarHBondContact O-CA 3.3Å; L172-W177 PolarHBondContact O-N 2.98Å; L172-L178 HydrophobicContact CB-CB 4.32Å; L172-L178 PolarHBondContact O-N 3.39Å
173G96.4Very high96.2Very high31 Ų3164.6 Ų64.632%0.3237%0.369SS..Hα-helixtrans-69.8-37.7172.900000112.4R169 G170 N171 S175 D176R169-G173 PolarHBondContact O-N 3.41Å; G170-G173 PolarHBondContact O-N 2.9Å; N171-G173 PolarHBondContact O-N 3.14Å; G173-S175 VanDerWaalsContact C-N 3.29Å; G173-S175 PolarHBondContact O-N 3Å; G173-D176 PolarHBondContact O-N 2.72Å
174A95.8Very high96.3Very high86 Ų8667.7 Ų67.771%0.71138%0.377SS*.Hα-helixtrans-69.6-25.2177.500000113.5G170 N171G170-A174 PolarHBondContact O-N 3.23Å; N171-A174 PolarHBondContact O-N 3.02Å; N171-A174 VanDerWaalsContact O-N 3.09Å
175S92.4Very high96.4Very high45 Ų4565.5 Ų65.532%0.31537%0.368SS..THydrogen-bonded Turntrans-99.213.6176.9-56.50000113.5N171 G173 W177N171-S175 PolarHBondContact O-N 2.73Å; N171-S175 VanDerWaalsContact O-N 3.16Å; G173-S175 VanDerWaalsContact C-N 3.29Å; G173-S175 PolarHBondContact O-N 3Å; S175-W177 PolarHBondContact O-N 2.72Å; S175-W177 VanDerWaalsContact O-N 3.13Å
176D94.3Very high96.5Very high122 Ų12265.9 Ų65.965%0.65237%0.371SS*.THydrogen-bonded Turntrans58.124.4-178.7-57.5-43000114.8L172 G173 K180L172-D176 PolarHBondContact O-N 3.45Å; G173-D176 PolarHBondContact O-N 2.72Å; D176-K180 WeakPolarHBondContact O-CE 3.36Å
177W97.2Very high96.5Very high4 Ų463.9 Ų63.92%0.01537%0.366CS..  trans-89.6-29176.7-79.182.8000113E123 V124 N127 A128 Y131 L172 S175 D179 K180 V185 E188E123-W177 WeakPolarHBondContact O-CZ2 3.45Å; E123-W177 PolarHBondContact OE1-NE1 3.04Å; V124-W177 HydrophobicContact CG1-CH2 4.16Å; V124-W177 WeakPolarHBondContact O-CH2 3.43Å; N127-W177 HydrophobicContact CB-CD2 3.67Å; N127-W177 VanDerWaalsContact CB-CE2 3.5Å; N127-W177 HydrophobicContact CB-CE3 4.16Å; N127-W177 HydrophobicContact CB-CG 4.04Å; N127-W177 HydrophobicContact CB-CH2 4.35Å; N127-W177 HydrophobicContact CB-CZ2 3.91Å; N127-W177 HydrophobicContact CB-CZ3 4.46Å; N127-W177 PolarHBondContact ND2-NE1 2.99Å; A128-W177 HydrophobicContact CB-CH2 4.18Å; A128-W177 HydrophobicContact CB-CZ3 3.81Å; Y131-W177 WeakPolarHBondContact CD2-O 3.34Å; Y131-W177 VanDerWaalsContact CE2-O 3.26Å; Y131-W177 WeakPolarHBondContact CE2-O 3.29Å; L172-W177 HydrophobicContact CB-CB 4.15Å; L172-W177 HydrophobicContact CD2-CB 3.76Å; L172-W177 HydrophobicContact CD2-CG 4.29Å; L172-W177 WeakPolarHBondContact O-CA 3.3Å; L172-W177 PolarHBondContact O-N 2.98Å; S175-W177 PolarHBondContact O-N 2.72Å; S175-W177 VanDerWaalsContact O-N 3.13Å; W177-D179 VanDerWaalsContact C-N 3.26Å; W177-D179 PolarHBondContact O-N 2.99Å; W177-K180 HydrophobicContact CD2-CD 4.2Å; W177-K180 VanDerWaalsContact CE2-NZ 3.32Å; W177-K180 HydrophobicContact CE3-CD 4.04Å; W177-K180 WeakPolarHBondContact O-CB 3.3Å; W177-K180 PolarHBondContact O-N 3.28Å; W177-V185 HydrophobicContact CE3-CG2 4.03Å; W177-V185 HydrophobicContact CZ3-CB 4.43Å; W177-V185 HydrophobicContact CZ3-CG1 4.11Å; W177-V185 HydrophobicContact CZ3-CG2 4.07Å; W177-E188 HydrophobicContact CH2-CB 4.12Å
178L96.4Very high96.6Very high48 Ų4863.3 Ų63.325%0.25136%0.358SS..THydrogen-bonded Turntrans-64.1-32-173.8-172.964.6000113.1V135 R169 L172V135-L178 HydrophobicContact CG2-CD1 3.88Å; R169-L178 HydrophobicContact CB-CD1 4.23Å; R169-L178 HydrophobicContact CG-CD1 4.14Å; L172-L178 HydrophobicContact CB-CB 4.32Å; L172-L178 PolarHBondContact O-N 3.39Å
179D95.3Very high96.7Very high148 Ų14863 Ų6379%0.79136%0.357SS*.THydrogen-bonded Turntrans-86.9-7.7-177.9-65.9-34.1000113.5W177W177-D179 VanDerWaalsContact C-N 3.26Å; W177-D179 PolarHBondContact O-N 2.99Å
180K97.6Very high96.7Very high44 Ų4461.9 Ų61.919%0.19136%0.355CS..SBendtrans-67.9147.3176.3-66.9177.2-177.7159.70110.6Y131 D176 W177 Q184 V185Y131-K180 PolarHBondContact OH-O 3.2Å; D176-K180 WeakPolarHBondContact O-CE 3.36Å; W177-K180 HydrophobicContact CD2-CD 4.2Å; W177-K180 VanDerWaalsContact CE2-NZ 3.32Å; W177-K180 HydrophobicContact CE3-CD 4.04Å; W177-K180 WeakPolarHBondContact O-CB 3.3Å; W177-K180 PolarHBondContact O-N 3.28Å; K180-Q184 HydrophobicContact CB-CB 4.22Å; K180-V185 HydrophobicContact CB-CG2 3.91Å; K180-V185 HydrophobicContact CD-CG2 4.4Å
181S97.2Very high96.8Very high52 Ų5263.5 Ų63.536%0.36435%0.353SS..  trans-76.1160.5165.278.50000110.9D183 Q184 V185S181-D183 VanDerWaalsContact C-N 3.25Å; S181-D183 PolarHBondContact O-N 2.94Å; S181-Q184 WeakPolarHBondContact O-CB 2.99Å; S181-Q184 PolarHBondContact O-N 3.45Å; S181-Q184 VanDerWaalsContact O-N 3.16Å; S181-Q184 WeakPolarHBondContact OG-CG 3.44Å; S181-Q184 PolarHBondContact OG-N 2.95Å; S181-V185 PolarHBondContact O-N 2.98Å
182L96.7Very high96.9Very high47 Ų4758.9 Ų58.925%0.24633%0.328CS..Hα-helixtrans-56.2-42.4174177.657.9000111.4V136 Q184 V185 L186 V233V136-L182 HydrophobicContact CG1-CD2 4.42Å; V136-L182 HydrophobicContact CG2-CD1 3.85Å; L182-Q184 VanDerWaalsContact C-N 3.3Å; L182-Q184 PolarHBondContact O-N 3.22Å; L182-V185 WeakPolarHBondContact O-CB 3.2Å; L182-V185 PolarHBondContact O-N 3.1Å; L182-L186 HydrophobicContact CD1-CD1 4.21Å; L182-L186 HydrophobicContact CD1-CD2 4.26Å; L182-L186 HydrophobicContact CD1-CG 4.01Å; L182-L186 HydrophobicContact CG-CD1 4.08Å; L182-L186 HydrophobicContact CG-CG 4.3Å; L182-L186 VanDerWaalsContact O-CG 3.3Å; L182-L186 WeakPolarHBondContact O-CG 3.06Å; L182-L186 PolarHBondContact O-N 3.49Å; L182-V233 HydrophobicContact CD2-CG2 4.03Å
183D96.9Very high96.9Very high127 Ų12758.8 Ų58.868%0.67933%0.328SS*.Hα-helixtrans-62.9-37179.4-63.2-33.1000112.4S181 L186 L187S181-D183 VanDerWaalsContact C-N 3.25Å; S181-D183 PolarHBondContact O-N 2.94Å; D183-L186 PolarHBondContact O-N 3.34Å; D183-L187 WeakPolarHBondContact O-CB 3.16Å; D183-L187 PolarHBondContact O-N 3.37Å
184Q97.9Very high97Very high104 Ų10464.4 Ų64.449%0.48634%0.339SS..Hα-helixtrans-65.7-43.9174.1-72.6172-38.800111.3K180 S181 L182 L186 L187 E188K180-Q184 HydrophobicContact CB-CB 4.22Å; S181-Q184 WeakPolarHBondContact O-CB 2.99Å; S181-Q184 PolarHBondContact O-N 3.45Å; S181-Q184 VanDerWaalsContact O-N 3.16Å; S181-Q184 WeakPolarHBondContact OG-CG 3.44Å; S181-Q184 PolarHBondContact OG-N 2.95Å; L182-Q184 VanDerWaalsContact C-N 3.3Å; L182-Q184 PolarHBondContact O-N 3.22Å; Q184-L186 PolarHBondContact O-N 2.99Å; Q184-L187 WeakPolarHBondContact O-CB 3.45Å; Q184-L187 PolarHBondContact O-N 3.48Å; Q184-E188 WeakPolarHBondContact O-CG 3.38Å; Q184-E188 PolarHBondContact O-N 2.9Å
185V97.8Very high97.1Very high0 Ų063.4 Ų63.40%032%0.324CS..Hα-helixtrans-59.4-46.7175.7167.80000111.2A128 Y131 W177 K180 S181 L182 L187 E188 M189A128-V185 HydrophobicContact CB-CG1 3.75Å; Y131-V185 HydrophobicContact CD1-CB 4.34Å; Y131-V185 HydrophobicContact CD1-CG1 4.17Å; Y131-V185 HydrophobicContact CD1-CG2 3.79Å; Y131-V185 HydrophobicContact CD2-CG2 4.08Å; Y131-V185 HydrophobicContact CE1-CG2 3.89Å; Y131-V185 HydrophobicContact CE2-CG2 4.13Å; Y131-V185 HydrophobicContact CG-CG2 3.91Å; W177-V185 HydrophobicContact CE3-CG2 4.03Å; W177-V185 HydrophobicContact CZ3-CB 4.43Å; W177-V185 HydrophobicContact CZ3-CG1 4.11Å; W177-V185 HydrophobicContact CZ3-CG2 4.07Å; K180-V185 HydrophobicContact CB-CG2 3.91Å; K180-V185 HydrophobicContact CD-CG2 4.4Å; S181-V185 PolarHBondContact O-N 2.98Å; L182-V185 WeakPolarHBondContact O-CB 3.2Å; L182-V185 PolarHBondContact O-N 3.1Å; V185-L187 VanDerWaalsContact C-N 3.3Å; V185-L187 PolarHBondContact O-N 3.25Å; V185-E188 PolarHBondContact O-N 2.69Å; V185-M189 WeakPolarHBondContact O-CG 3.28Å; V185-M189 PolarHBondContact O-N 3.17Å; V185-M189 VanDerWaalsContact O-N 3.08Å
186L97.5Very high97.4Very high39 Ų3961.3 Ų61.320%0.20431%0.309CS..Hα-helixtrans-65.7-33.6178.1-62.9178.5000112.1L182 D183 Q184 M189 K190 V233 L235 I238L182-L186 HydrophobicContact CD1-CD1 4.21Å; L182-L186 HydrophobicContact CD1-CD2 4.26Å; L182-L186 HydrophobicContact CD1-CG 4.01Å; L182-L186 HydrophobicContact CG-CD1 4.08Å; L182-L186 HydrophobicContact CG-CG 4.3Å; L182-L186 VanDerWaalsContact O-CG 3.3Å; L182-L186 WeakPolarHBondContact O-CG 3.06Å; L182-L186 PolarHBondContact O-N 3.49Å; D183-L186 PolarHBondContact O-N 3.34Å; Q184-L186 PolarHBondContact O-N 2.99Å; L186-M189 HydrophobicContact CD2-SD 4.29Å; L186-K190 WeakPolarHBondContact O-CB 3.48Å; L186-K190 PolarHBondContact O-N 3.15Å; L186-V233 HydrophobicContact CD2-CG1 3.96Å; L186-L235 HydrophobicContact CD2-CD2 3.66Å; L186-I238 HydrophobicContact CB-CD1 4.06Å; L186-I238 HydrophobicContact CD2-CD1 3.82Å; L186-I238 HydrophobicContact CG-CD1 4.46Å
187L97.7Very high97.6Very high99 Ų9956.4 Ų56.452%0.51829%0.285SS..Hα-helixtrans-65.2-44.2173.9-179.861.1000111.7D183 Q184 V185 K190 L191D183-L187 WeakPolarHBondContact O-CB 3.16Å; D183-L187 PolarHBondContact O-N 3.37Å; Q184-L187 WeakPolarHBondContact O-CB 3.45Å; Q184-L187 PolarHBondContact O-N 3.48Å; V185-L187 VanDerWaalsContact C-N 3.3Å; V185-L187 PolarHBondContact O-N 3.25Å; L187-K190 WeakPolarHBondContact O-CB 3.49Å; L187-K190 PolarHBondContact O-N 2.93Å; L187-L191 HydrophobicContact CG-CD1 4.45Å; L187-L191 WeakPolarHBondContact O-CG 3.37Å; L187-L191 PolarHBondContact O-N 3.22Å
188E97.9Very high97.6Very high73 Ų7361.4 Ų61.434%0.34131%0.311SS..Hα-helixtrans-61.3-45.3176.6-68-69.2-174.200111.6V124 W177 Q184 V185 K190 L191 C192V124-E188 HydrophobicContact CG1-CB 4.1Å; W177-E188 HydrophobicContact CH2-CB 4.12Å; Q184-E188 WeakPolarHBondContact O-CG 3.38Å; Q184-E188 PolarHBondContact O-N 2.9Å; V185-E188 PolarHBondContact O-N 2.69Å; E188-K190 VanDerWaalsContact C-N 3.27Å; E188-K190 PolarHBondContact O-N 3.42Å; E188-L191 PolarHBondContact O-N 2.62Å; E188-L191 VanDerWaalsContact O-N 3.1Å; E188-C192 PolarHBondContact O-N 2.91Å
189M97.8Very high97.6Very high2 Ų261.1 Ų61.11%0.0131%0.308CS..Hα-helixtrans-57.5-42174.4-66.9179.480.900111.8L125 A128 I132 V185 L186 C192 C193 L225 L235 I238L125-M189 HydrophobicContact CD2-CB 4.43Å; L125-M189 HydrophobicContact CD2-CE 4.34Å; L125-M189 HydrophobicContact CD2-CG 4.35Å; A128-M189 HydrophobicContact CB-CE 4.29Å; A128-M189 HydrophobicContact CB-CG 3.45Å; A128-M189 VanDerWaalsContact CB-CG 3.45Å; A128-M189 HydrophobicContact CB-SD 3.58Å; A128-M189 VanDerWaalsContact CB-SD 3.58Å; I132-M189 HydrophobicContact CD1-SD 3.92Å; V185-M189 WeakPolarHBondContact O-CG 3.28Å; V185-M189 PolarHBondContact O-N 3.17Å; V185-M189 VanDerWaalsContact O-N 3.08Å; L186-M189 HydrophobicContact CD2-SD 4.29Å; M189-C192 PolarHBondContact O-N 3.02Å; M189-C193 PolarHBondContact O-N 3.1Å; M189-C193 PolarHBondContact O-SG 2.95Å; M189-L225 HydrophobicContact CE-CD1 3.61Å; M189-L225 HydrophobicContact CE-CD2 3.68Å; M189-L225 HydrophobicContact CE-CG 4.32Å; M189-L235 HydrophobicContact CE-CD2 4.13Å; M189-L235 HydrophobicContact SD-CD2 4.06Å; M189-I238 HydrophobicContact CB-CD1 4.38Å
190K98.1Very high97.7Very high85 Ų8554.2 Ų54.237%0.3727%0.272SS..Hα-helixtrans-64.5-39.4176.4-178.9174173.11670112L186 L187 E188 C193 R194 I238 F242L186-K190 WeakPolarHBondContact O-CB 3.48Å; L186-K190 PolarHBondContact O-N 3.15Å; L187-K190 WeakPolarHBondContact O-CB 3.49Å; L187-K190 PolarHBondContact O-N 2.93Å; E188-K190 VanDerWaalsContact C-N 3.27Å; E188-K190 PolarHBondContact O-N 3.42Å; K190-C193 PolarHBondContact O-N 3.28Å; K190-R194 WeakPolarHBondContact O-CB 3.2Å; K190-R194 PolarHBondContact O-N 3.48Å; K190-I238 HydrophobicContact CB-CG2 3.88Å; K190-I238 HydrophobicContact CG-CG2 4.42Å; K190-F242 HydrophobicContact CG-CE2 4.2Å; K190-F242 HydrophobicContact CG-CZ 4.09Å; K190-F242 WeakPolarHBondContact O-CZ 3.46Å
191L98.3Very high97.7Very high77 Ų7758 Ų5840%0.40329%0.29SS..Hα-helixtrans-66.4-42.1175.6-69.4175.2000111.6L187 E188 R194 V195L187-L191 HydrophobicContact CG-CD1 4.45Å; L187-L191 WeakPolarHBondContact O-CG 3.37Å; L187-L191 PolarHBondContact O-N 3.22Å; E188-L191 PolarHBondContact O-N 2.62Å; E188-L191 VanDerWaalsContact O-N 3.1Å; L191-R194 WeakPolarHBondContact O-CB 3.43Å; L191-R194 PolarHBondContact O-N 3.41Å; L191-R194 VanDerWaalsContact O-N 3.16Å; L191-V195 WeakPolarHBondContact O-CG2 3.21Å; L191-V195 PolarHBondContact O-N 3.37Å
192C98.3Very high97.6Very high2 Ų263 Ų631%0.01431%0.307CS..Hα-helixtrans-58.5-49.4172.6177.30000111.4V124 L125 E188 M189 R194 V195 L196V124-C192 HydrophobicContact CB-CB 3.99Å; V124-C192 HydrophobicContact CG1-CB 3.61Å; V124-C192 HydrophobicContact CG2-CB 4.41Å; L125-C192 HydrophobicContact CD2-CB 4.3Å; E188-C192 PolarHBondContact O-N 2.91Å; M189-C192 PolarHBondContact O-N 3.02Å; C192-R194 VanDerWaalsContact C-N 3.26Å; C192-R194 PolarHBondContact O-N 3.01Å; C192-V195 PolarHBondContact O-N 2.95Å; C192-V195 VanDerWaalsContact O-N 3.1Å; C192-L196 WeakPolarHBondContact O-CG 3.36Å; C192-L196 PolarHBondContact O-N 3.37Å
193C98.4Very high97.6Very high0 Ų063.9 Ų63.90%031%0.309CS..Hα-helixtrans-58.1-38.4175-67.10000112M189 K190 L196 S197 F242 L245M189-C193 PolarHBondContact O-N 3.1Å; M189-C193 PolarHBondContact O-SG 2.95Å; K190-C193 PolarHBondContact O-N 3.28Å; C193-L196 PolarHBondContact O-N 3.26Å; C193-S197 WeakPolarHBondContact O-CB 3.45Å; C193-S197 PolarHBondContact O-N 3.26Å; C193-F242 HydrophobicContact CB-CD2 3.55Å; C193-F242 HydrophobicContact CB-CE2 3.39Å; C193-F242 HydrophobicContact CB-CG 4.31Å; C193-F242 HydrophobicContact CB-CZ 4.05Å; C193-L245 HydrophobicContact CB-CD1 4.03Å; C193-L245 VanDerWaalsContact O-CD1 3.3Å; C193-L245 WeakPolarHBondContact O-CD1 3.42Å
194R98.4Very high97.5Very high149 Ų14960.4 Ų60.456%0.56229%0.294SS*.Hα-helixtrans-63-44.8175.1-177178.4179.7168.60.7112.1K190 L191 C192 S197 L198 F242K190-R194 WeakPolarHBondContact O-CB 3.2Å; K190-R194 PolarHBondContact O-N 3.48Å; L191-R194 WeakPolarHBondContact O-CB 3.43Å; L191-R194 PolarHBondContact O-N 3.41Å; L191-R194 VanDerWaalsContact O-N 3.16Å; C192-R194 VanDerWaalsContact C-N 3.26Å; C192-R194 PolarHBondContact O-N 3.01Å; R194-S197 PolarHBondContact O-N 3.24Å; R194-L198 HydrophobicContact CG-CD1 4.11Å; R194-L198 HydrophobicContact CG-CG 4.45Å; R194-L198 WeakPolarHBondContact O-CB 3.47Å; R194-L198 VanDerWaalsContact O-CG 3.29Å; R194-L198 WeakPolarHBondContact O-CG 3.35Å; R194-L198 PolarHBondContact O-N 2.85Å; R194-F242 VanDerWaalsContact CA-CE1 3.45Å; R194-F242 HydrophobicContact CB-CE1 3.68Å; R194-F242 HydrophobicContact CB-CZ 3.84Å; R194-F242 HydrophobicContact CG-CE1 4.19Å
195V98.1Very high97.5Very high65 Ų6556.5 Ų56.539%0.39428%0.275SS..Hα-helixtrans-62.5-47.6177.9173.40000110.5L117 L120 L191 C192 S197 L198 H199L117-V195 HydrophobicContact CD2-CG1 4.27Å; L120-V195 HydrophobicContact CD2-CB 3.85Å; L120-V195 HydrophobicContact CD2-CG1 3.56Å; L120-V195 HydrophobicContact CD2-CG2 4.43Å; L191-V195 WeakPolarHBondContact O-CG2 3.21Å; L191-V195 PolarHBondContact O-N 3.37Å; C192-V195 PolarHBondContact O-N 2.95Å; C192-V195 VanDerWaalsContact O-N 3.1Å; V195-S197 VanDerWaalsContact C-N 3.32Å; V195-S197 PolarHBondContact O-N 2.89Å; V195-L198 PolarHBondContact O-N 2.85Å; V195-H199 WeakPolarHBondContact O-CB 3.39Å; V195-H199 PolarHBondContact O-N 2.82Å
196L98.3Very high97.4Very high0 Ų056.5 Ų56.50%028%0.275CS..Hα-helixtrans-59.6-42.8176.3-67.2172.8000111.7L117 V121 C192 C193 H199 L200 V218 L245L117-L196 HydrophobicContact CD2-CD2 4.35Å; V121-L196 HydrophobicContact CG2-CD1 4.2Å; V121-L196 HydrophobicContact CG2-CD2 4.21Å; C192-L196 WeakPolarHBondContact O-CG 3.36Å; C192-L196 PolarHBondContact O-N 3.37Å; C193-L196 PolarHBondContact O-N 3.26Å; L196-H199 PolarHBondContact O-N 3.48Å; L196-L200 WeakPolarHBondContact O-CB 3.31Å; L196-L200 PolarHBondContact O-N 2.91Å; L196-V218 HydrophobicContact CD1-CG1 4.13Å; L196-V218 HydrophobicContact CD1-CG2 4.17Å; L196-V218 HydrophobicContact CD2-CG2 3.91Å; L196-L245 HydrophobicContact CB-CD1 4.23Å; L196-L245 HydrophobicContact CB-CD2 4.06Å
197S98.2Very high97.2Very high20 Ų2056 Ų5614%0.1427%0.272CS..Hα-helixtrans-64.1-42.2177.3178.20000112.4C193 R194 V195 H199 L200 Q201 N244C193-S197 WeakPolarHBondContact O-CB 3.45Å; C193-S197 PolarHBondContact O-N 3.26Å; R194-S197 PolarHBondContact O-N 3.24Å; V195-S197 VanDerWaalsContact C-N 3.32Å; V195-S197 PolarHBondContact O-N 2.89Å; S197-H199 VanDerWaalsContact C-N 3.29Å; S197-H199 PolarHBondContact O-N 3.32Å; S197-L200 PolarHBondContact O-N 3.38Å; S197-Q201 PolarHBondContact O-N 3.48Å; S197-N244 PolarHBondContact O-ND2 3.34Å; S197-N244 VanDerWaalsContact OG-CG 3.31Å; S197-N244 PolarHBondContact OG-ND2 2.85Å; S197-N244 VanDerWaalsContact OG-ND2 3.15Å; S197-N244 PolarHBondContact OG-OD1 3.26Å
198L97.6Very high96.9Very high108 Ų10852 Ų5257%0.56525%0.254SS*.Hα-helixtrans-67-30.5175.2-75.5172.2000112.6R194 V195 Q201R194-L198 HydrophobicContact CG-CD1 4.11Å; R194-L198 HydrophobicContact CG-CG 4.45Å; R194-L198 WeakPolarHBondContact O-CB 3.47Å; R194-L198 VanDerWaalsContact O-CG 3.29Å; R194-L198 WeakPolarHBondContact O-CG 3.35Å; R194-L198 PolarHBondContact O-N 2.85Å; V195-L198 PolarHBondContact O-N 2.85Å; L198-Q201 WeakPolarHBondContact O-CG 3.44Å; L198-Q201 PolarHBondContact O-NE2 3.5Å
199H96Very high96.6Very high42 Ų4257.5 Ų57.519%0.19428%0.277CS..Hα-helixtrans-77.5-41.1175.3-164.587.2000111.3E113 L117 V195 L196 S197 K203 L206E113-H199 IonicContact OE2-CE1 3.27Å; L117-H199 HydrophobicContact CD1-CB 4.41Å; V195-H199 WeakPolarHBondContact O-CB 3.39Å; V195-H199 PolarHBondContact O-N 2.82Å; L196-H199 PolarHBondContact O-N 3.48Å; S197-H199 VanDerWaalsContact C-N 3.29Å; S197-H199 PolarHBondContact O-N 3.32Å; H199-K203 WeakPolarHBondContact O-CE 3.41Å; H199-K203 PolarHBondContact O-NZ 3.34Å; H199-L206 PolarHBondContact CD2-O 3.45Å; H199-L206 PolarHBondContact NE2-O 3.29Å
200L97.7Very high96.4Very high4 Ų465 Ų652%0.02131%0.305CS..Hα-helixtrans-64.9-46.8177.4-177.964.3000111.9L196 S197 E202 K203 L206 N244 L245 L248L196-L200 WeakPolarHBondContact O-CB 3.31Å; L196-L200 PolarHBondContact O-N 2.91Å; S197-L200 PolarHBondContact O-N 3.38Å; L200-E202 PolarHBondContact O-N 2.93Å; L200-K203 VanDerWaalsContact CD1-O 3.28Å; L200-K203 WeakPolarHBondContact CD1-O 3.46Å; L200-K203 VanDerWaalsContact O-CB 3.25Å; L200-K203 WeakPolarHBondContact O-CB 3.33Å; L200-K203 VanDerWaalsContact O-CE 3.27Å; L200-K203 WeakPolarHBondContact O-CE 3.08Å; L200-K203 PolarHBondContact O-N 3.49Å; L200-L206 HydrophobicContact CB-CD2 3.95Å; L200-L206 HydrophobicContact CD1-CD2 4.4Å; L200-L206 HydrophobicContact CD1-CG 4.45Å; L200-N244 HydrophobicContact CD2-CB 4.13Å; L200-N244 WeakPolarHBondContact CD2-O 3.46Å; L200-L245 HydrophobicContact CD2-CD2 3.95Å; L200-L248 HydrophobicContact CD1-CD1 4.42Å; L200-L248 HydrophobicContact CD1-CD2 4.41Å; L200-L248 HydrophobicContact CD2-CB 3.92Å; L200-L248 HydrophobicContact CD2-CD2 4.14Å
201Q96.2Very high96.2Very high124 Ų12462.8 Ų62.858%0.57930%0.3SS*.THydrogen-bonded Turntrans52.4-121.7-175-52.9-179.9-1300110.7S197 L198 N244S197-Q201 PolarHBondContact O-N 3.48Å; L198-Q201 WeakPolarHBondContact O-CG 3.44Å; L198-Q201 PolarHBondContact O-NE2 3.5Å; Q201-N244 PolarHBondContact O-ND2 3.4Å; Q201-N244 VanDerWaalsContact O-ND2 3.17Å
202E95.6Very high96.1Very high155 Ų15560 Ų6072%0.72429%0.285SS*.THydrogen-bonded Turntrans-105.110.4174.3-59.3-56.9152.200112.9L200 R247L200-E202 PolarHBondContact O-N 2.93Å; E202-R247 IonicContact OE2-NH1 2.66Å; E202-R247 PolarHBondContact OE2-NH1 2.82Å
203K96.3Very high96Very high66 Ų6660 Ų6029%0.28729%0.286SS..  trans-69.1147.4175-62.8175.9-741780109.5H199 L200 Y205 L206H199-K203 WeakPolarHBondContact O-CE 3.41Å; H199-K203 PolarHBondContact O-NZ 3.34Å; L200-K203 VanDerWaalsContact CD1-O 3.28Å; L200-K203 WeakPolarHBondContact CD1-O 3.46Å; L200-K203 VanDerWaalsContact O-CB 3.25Å; L200-K203 WeakPolarHBondContact O-CB 3.33Å; L200-K203 VanDerWaalsContact O-CE 3.27Å; L200-K203 WeakPolarHBondContact O-CE 3.08Å; L200-K203 PolarHBondContact O-N 3.49Å; K203-Y205 WeakPolarHBondContact CB-O 3.3Å; K203-Y205 PolarHBondContact O-N 2.93Å; K203-L206 WeakPolarHBondContact CE-O 3.32Å; K203-L206 PolarHBondContact NZ-O 2.95Å
204P95.8Very high96Very high55 Ų5560 Ų6036%0.35729%0.286SS..SBendtrans-70.4-22.7176.927.9-33.6000113G208 L248 Q251P204-G208 VanDerWaalsContact CD-O 3.3Å; P204-G208 WeakPolarHBondContact CD-O 3.26Å; P204-G208 VanDerWaalsContact CG-O 3.29Å; P204-G208 WeakPolarHBondContact CG-O 3.45Å; P204-L248 WeakPolarHBondContact O-CD1 3.4Å; P204-Q251 PolarHBondContact O-NE2 3.42Å
205Y96.9Very high95.9Very high22 Ų2252.9 Ų52.99%0.08626%0.259CS..BIsolated β-bridgetrans-140.3161.7175.6-61-76.1000110K203 M207 G208 K209 R210 P211 D215 L248 I252K203-Y205 WeakPolarHBondContact CB-O 3.3Å; K203-Y205 PolarHBondContact O-N 2.93Å; Y205-M207 VanDerWaalsContact C-N 3.3Å; Y205-M207 PolarHBondContact O-N 2.86Å; Y205-G208 PolarHBondContact N-O 3.5Å; Y205-G208 VanDerWaalsContact N-O 3.1Å; Y205-G208 PolarHBondContact O-N 2.88Å; Y205-K209 WeakPolarHBondContact CD2-O 3.49Å; Y205-R210 WeakPolarHBondContact CB-O 3.35Å; Y205-R210 VanDerWaalsContact CD2-C 3.45Å; Y205-P211 HydrophobicContact CD1-CB 3.83Å; Y205-P211 HydrophobicContact CE1-CB 3.68Å; Y205-P211 HydrophobicContact CE1-CG 4.39Å; Y205-P211 HydrophobicContact CG-CB 4.32Å; Y205-D215 WeakPolarHBondContact CA-OD1 3.23Å; Y205-D215 WeakPolarHBondContact CB-OD1 3.37Å; Y205-D215 HydrophobicContact CD1-CB 4.31Å; Y205-L248 HydrophobicContact CD1-CD1 4.26Å; Y205-I252 HydrophobicContact CE1-CG1 4.34Å
206L95.9Very high95.9Very high0 Ų049.8 Ų49.80%024%0.24CC..THydrogen-bonded Turntrans-57.8-42.3-174.5-75161.4000112.1H199 L200 K203 L214 D215 V218 L248H199-L206 PolarHBondContact CD2-O 3.45Å; H199-L206 PolarHBondContact NE2-O 3.29Å; L200-L206 HydrophobicContact CB-CD2 3.95Å; L200-L206 HydrophobicContact CD1-CD2 4.4Å; L200-L206 HydrophobicContact CD1-CG 4.45Å; K203-L206 WeakPolarHBondContact CE-O 3.32Å; K203-L206 PolarHBondContact NZ-O 2.95Å; L206-L214 HydrophobicContact CB-CD2 3.9Å; L206-L214 HydrophobicContact CB-CG 4.41Å; L206-L214 HydrophobicContact CD1-CD1 4.4Å; L206-L214 HydrophobicContact CD1-CD2 3.98Å; L206-L214 HydrophobicContact CD1-CG 3.71Å; L206-D215 WeakPolarHBondContact CB-OD1 3.48Å; L206-D215 PolarHBondContact N-OD1 2.91Å; L206-V218 HydrophobicContact CD1-CB 3.87Å; L206-V218 HydrophobicContact CD1-CG1 4.11Å; L206-V218 HydrophobicContact CD1-CG2 3.62Å; L206-L248 HydrophobicContact CG-CD2 4.43Å
207M93.2Very high96Very high28 Ų2849.8 Ų49.814%0.13824%0.24CC..THydrogen-bonded Turntrans-93.37.2180-58.3-54.2-65.100113.9E110 E113 M114 Y205 T212 L214E110-M207 HydrophobicContact CB-CE 3.81Å; E110-M207 HydrophobicContact CG-CE 4.18Å; E110-M207 VanDerWaalsContact O-CE 3.29Å; E110-M207 WeakPolarHBondContact O-CE 3.34Å; E113-M207 HydrophobicContact CB-CE 4.17Å; M114-M207 HydrophobicContact CB-CE 4.49Å; M114-M207 HydrophobicContact CB-SD 4.43Å; M114-M207 HydrophobicContact CE-CG 3.97Å; Y205-M207 VanDerWaalsContact C-N 3.3Å; Y205-M207 PolarHBondContact O-N 2.86Å; M207-T212 HydrophobicContact CB-CG2 3.82Å; M207-T212 HydrophobicContact CG-CG2 3.94Å; M207-L214 HydrophobicContact CG-CD2 4.31Å; M207-L214 HydrophobicContact SD-CD2 4.05Å
208G91.9Very high96Very high15 Ų1548.9 Ų48.916%0.15523%0.233CC..BIsolated β-bridgetrans126.3-124.4177.700000113.5P204 Y205P204-G208 VanDerWaalsContact CD-O 3.3Å; P204-G208 WeakPolarHBondContact CD-O 3.26Å; P204-G208 VanDerWaalsContact CG-O 3.29Å; P204-G208 WeakPolarHBondContact CG-O 3.45Å; Y205-G208 PolarHBondContact N-O 3.5Å; Y205-G208 VanDerWaalsContact N-O 3.1Å; Y205-G208 PolarHBondContact O-N 2.88Å
209K92Very high96Very high188 Ų18843.8 Ų43.882%0.81721%0.207SC*.SBendtrans-87.5-21-167.6-67.3-176.4-179.1178.10114.7Y205Y205-K209 WeakPolarHBondContact CD2-O 3.49Å
210R92.3Very high96.1Very high161 Ų16141.8 Ų41.861%0.60820%0.197SC*.SBendtrans-118.8146.1-176.4-65.3-174.1-174.7172.38110.2E105 Y205E105-R210 VanDerWaalsContact CD-NH1 3.33Å; E105-R210 IonicContact OE1-NH1 3.32Å; E105-R210 IonicContact OE2-CZ 3.86Å; E105-R210 IonicContact OE2-NH1 3.97Å; E105-R210 PolarHBondContact OE2-NH1 3.39Å; E105-R210 IonicContact OE2-NH2 3.13Å; Y205-R210 WeakPolarHBondContact CB-O 3.35Å; Y205-R210 VanDerWaalsContact CD2-C 3.45Å
211P95.4Very high96.1Very high38 Ų3841.6 Ų41.625%0.24720%0.197CC..  trans-66146.6173.630.7-36.9000110.7M54 Y205M54-P211 HydrophobicContact CB-CB 4.47Å; M54-P211 HydrophobicContact CB-CG 4.42Å; M54-P211 HydrophobicContact CE-CB 3.88Å; M54-P211 HydrophobicContact CG-CB 4.03Å; M54-P211 HydrophobicContact CG-CG 4.32Å; M54-P211 HydrophobicContact SD-CB 3.67Å; Y205-P211 HydrophobicContact CD1-CB 3.83Å; Y205-P211 HydrophobicContact CE1-CB 3.68Å; Y205-P211 HydrophobicContact CE1-CG 4.39Å; Y205-P211 HydrophobicContact CG-CB 4.32Å
212T95.6Very high96.2Very high17 Ų1735.7 Ų35.710%0.10417%0.169CC..  trans-126.7169176.863.80000110.2M114 M207 L214 D215 A216M114-T212 HydrophobicContact CE-CG2 3.82Å; M207-T212 HydrophobicContact CB-CG2 3.82Å; M207-T212 HydrophobicContact CG-CG2 3.94Å; T212-L214 PolarHBondContact O-N 3.39Å; T212-L214 VanDerWaalsContact O-N 3.16Å; T212-D215 PolarHBondContact N-OD2 2.82Å; T212-D215 WeakPolarHBondContact O-CB 3.41Å; T212-D215 PolarHBondContact O-N 3Å; T212-D215 PolarHBondContact OG1-OD2 3.41Å; T212-A216 PolarHBondContact O-N 3.48Å
213P96.7Very high96.2Very high3 Ų330.3 Ų30.32%0.01914%0.143CC..Hα-helixtrans-54.8-31.4172.3-25.935000113.2M1 F2 F51 F89 V93 L104 D215 A216 L217M1-P213 HydrophobicContact CE-CB 3.74Å; F2-P213 HydrophobicContact CZ-CG 4.35Å; F51-P213 HydrophobicContact CD2-CB 4.14Å; F51-P213 HydrophobicContact CD2-CG 4.02Å; F51-P213 HydrophobicContact CE2-CB 4.4Å; F51-P213 HydrophobicContact CE2-CG 3.86Å; F89-P213 HydrophobicContact CZ-CB 4.28Å; F89-P213 WeakPolarHBondContact CZ-O 3.27Å; V93-P213 HydrophobicContact CG1-CB 3.83Å; V93-P213 HydrophobicContact CG1-CG 3.68Å; V93-P213 HydrophobicContact CG2-CB 4.13Å; L104-P213 HydrophobicContact CD2-CG 3.81Å; P213-D215 VanDerWaalsContact C-N 3.34Å; P213-D215 PolarHBondContact O-N 3.37Å; P213-A216 WeakPolarHBondContact O-CB 3.5Å; P213-A216 PolarHBondContact O-N 2.99Å; P213-L217 PolarHBondContact O-N 3.23Å
214L97.1Very high96.1Very high0 Ų027.1 Ų27.10%013%0.13CC..Hα-helixtrans-61.1-41.2174.2171.966.8000112.2M114 L117 V118 L206 M207 T212 A216 L217 V218M114-L214 HydrophobicContact CG-CB 3.71Å; M114-L214 HydrophobicContact CG-CD2 4.2Å; M114-L214 HydrophobicContact CG-CG 4.49Å; M114-L214 HydrophobicContact SD-CB 4.31Å; L117-L214 HydrophobicContact CB-CD1 3.72Å; L117-L214 HydrophobicContact CB-CD2 3.78Å; L117-L214 HydrophobicContact CB-CG 4.42Å; L117-L214 HydrophobicContact CD1-CD2 3.56Å; L117-L214 HydrophobicContact CG-CD2 4.33Å; V118-L214 HydrophobicContact CG2-CB 4.46Å; V118-L214 HydrophobicContact CG2-CD1 3.94Å; L206-L214 HydrophobicContact CB-CD2 3.9Å; L206-L214 HydrophobicContact CB-CG 4.41Å; L206-L214 HydrophobicContact CD1-CD1 4.4Å; L206-L214 HydrophobicContact CD1-CD2 3.98Å; L206-L214 HydrophobicContact CD1-CG 3.71Å; M207-L214 HydrophobicContact CG-CD2 4.31Å; M207-L214 HydrophobicContact SD-CD2 4.05Å; T212-L214 PolarHBondContact O-N 3.39Å; T212-L214 VanDerWaalsContact O-N 3.16Å; L214-A216 VanDerWaalsContact C-N 3.31Å; L214-A216 PolarHBondContact O-N 3.29Å; L214-L217 PolarHBondContact O-N 3.41Å; L214-V218 HydrophobicContact CD1-CG2 3.93Å; L214-V218 HydrophobicContact CG-CG2 4.45Å; L214-V218 WeakPolarHBondContact O-CB 3.09Å; L214-V218 WeakPolarHBondContact O-CG2 3.49Å; L214-V218 PolarHBondContact O-N 2.98Å
215D97.9Very high96.1Very high0 Ų024.6 Ų24.60%011%0.113CC..Hα-helixtrans-64.2-38.7176.5-61.5-79.6000111.5M54 Y205 L206 T212 P213 F219 I252M54-D215 HydrophobicContact CE-CB 4.09Å; Y205-D215 WeakPolarHBondContact CA-OD1 3.23Å; Y205-D215 WeakPolarHBondContact CB-OD1 3.37Å; Y205-D215 HydrophobicContact CD1-CB 4.31Å; L206-D215 WeakPolarHBondContact CB-OD1 3.48Å; L206-D215 PolarHBondContact N-OD1 2.91Å; T212-D215 PolarHBondContact N-OD2 2.82Å; T212-D215 WeakPolarHBondContact O-CB 3.41Å; T212-D215 PolarHBondContact O-N 3Å; T212-D215 PolarHBondContact OG1-OD2 3.41Å; P213-D215 VanDerWaalsContact C-N 3.34Å; P213-D215 PolarHBondContact O-N 3.37Å; D215-F219 WeakPolarHBondContact O-CB 3.38Å; D215-F219 PolarHBondContact O-N 3.42Å; D215-I252 HydrophobicContact CB-CD1 4.38Å
216A98.3Very high96Very high0 Ų025.6 Ų25.60%012%0.119CC..Hα-helixtrans-63.4-45.817500000111.9A47 T50 F51 M54 F89 T212 P213 L214 G220A47-A216 WeakPolarHBondContact CA-O 3.36Å; T50-A216 HydrophobicContact CG2-CB 3.96Å; F51-A216 HydrophobicContact CB-CB 3.7Å; M54-A216 HydrophobicContact SD-CB 3.88Å; F89-A216 HydrophobicContact CE2-CB 4.26Å; T212-A216 PolarHBondContact O-N 3.48Å; P213-A216 WeakPolarHBondContact O-CB 3.5Å; P213-A216 PolarHBondContact O-N 2.99Å; L214-A216 VanDerWaalsContact C-N 3.31Å; L214-A216 PolarHBondContact O-N 3.29Å; A216-G220 PolarHBondContact O-N 2.87Å
217L98.4Very high95.8Very high0 Ų028.9 Ų28.90%014%0.139CC..Hα-helixtrans-60.6-54.1176.7-177.864.3000111.3A47 F89 V118 V121 P213 L214 F219 G220 H221A47-L217 HydrophobicContact CB-CD1 4.32Å; F89-L217 HydrophobicContact CD1-CB 4.48Å; F89-L217 HydrophobicContact CD1-CD1 3.79Å; F89-L217 HydrophobicContact CE1-CB 3.76Å; F89-L217 HydrophobicContact CE1-CD1 3.93Å; F89-L217 HydrophobicContact CE1-CD2 4.27Å; F89-L217 HydrophobicContact CE1-CG 4.19Å; F89-L217 HydrophobicContact CG-CD1 4.31Å; F89-L217 HydrophobicContact CZ-CB 3.81Å; V118-L217 HydrophobicContact CB-CD2 4.3Å; V118-L217 HydrophobicContact CG1-CD2 3.94Å; V118-L217 HydrophobicContact CG2-CD2 4.13Å; V121-L217 HydrophobicContact CB-CD2 4.12Å; V121-L217 HydrophobicContact CG1-CD1 4.47Å; V121-L217 HydrophobicContact CG1-CD2 3.89Å; V121-L217 HydrophobicContact CG1-CG 3.87Å; P213-L217 PolarHBondContact O-N 3.23Å; L214-L217 PolarHBondContact O-N 3.41Å; L217-F219 VanDerWaalsContact C-N 3.31Å; L217-F219 PolarHBondContact O-N 3.35Å; L217-G220 PolarHBondContact O-N 3.37Å; L217-G220 VanDerWaalsContact O-N 3.16Å; L217-H221 PolarHBondContact O-CD2 2.99Å; L217-H221 VanDerWaalsContact O-CD2 3.3Å; L217-H221 PolarHBondContact O-N 3.07Å
218V98.3Very high95.7Very high0 Ų028.5 Ų28.50%014%0.139CC..Hα-helixtrans-60.2-43.4-179.4169.20000110.8V121 L196 L206 L214 L222 L248V121-V218 HydrophobicContact CG2-CG2 3.81Å; L196-V218 HydrophobicContact CD1-CG1 4.13Å; L196-V218 HydrophobicContact CD1-CG2 4.17Å; L196-V218 HydrophobicContact CD2-CG2 3.91Å; L206-V218 HydrophobicContact CD1-CB 3.87Å; L206-V218 HydrophobicContact CD1-CG1 4.11Å; L206-V218 HydrophobicContact CD1-CG2 3.62Å; L214-V218 HydrophobicContact CD1-CG2 3.93Å; L214-V218 HydrophobicContact CG-CG2 4.45Å; L214-V218 WeakPolarHBondContact O-CB 3.09Å; L214-V218 WeakPolarHBondContact O-CG2 3.49Å; L214-V218 PolarHBondContact O-N 2.98Å; V218-L222 HydrophobicContact CG1-CD1 3.51Å; V218-L222 HydrophobicContact CG1-CG 3.96Å; V218-L222 VanDerWaalsContact O-CB 3.32Å; V218-L222 WeakPolarHBondContact O-CB 3.41Å; V218-L222 VanDerWaalsContact O-CG 3.26Å; V218-L222 WeakPolarHBondContact O-CG 3.28Å; V218-L222 PolarHBondContact O-N 3.09Å; V218-L248 HydrophobicContact CG1-CD2 4.45Å
219F98.4Very high95.6Very high1 Ų134.8 Ų34.80%0.00417%0.169CC..Hα-helixtrans-58.4-49.1174.6171.4-103.1000112V46 T50 D215 L217 H221 L222 F223 C249 I252 D253 F257V46-F219 HydrophobicContact CG1-CD1 3.92Å; V46-F219 HydrophobicContact CG1-CE1 3.54Å; V46-F219 HydrophobicContact CG1-CZ 4.49Å; T50-F219 HydrophobicContact CG2-CD1 3.7Å; T50-F219 HydrophobicContact CG2-CE1 4.27Å; T50-F219 HydrophobicContact CG2-CG 4.36Å; T50-F219 WeakPolarHBondContact OG1-CD1 3.36Å; T50-F219 VanDerWaalsContact OG1-CE1 3.26Å; T50-F219 WeakPolarHBondContact OG1-CE1 3.39Å; D215-F219 WeakPolarHBondContact O-CB 3.38Å; D215-F219 PolarHBondContact O-N 3.42Å; L217-F219 VanDerWaalsContact C-N 3.31Å; L217-F219 PolarHBondContact O-N 3.35Å; F219-H221 VanDerWaalsContact C-N 3.33Å; F219-H221 PolarHBondContact O-N 2.85Å; F219-L222 PolarHBondContact O-N 3.31Å; F219-F223 HydrophobicContact CD2-CB 4.07Å; F219-F223 HydrophobicContact CE1-CB 4.46Å; F219-F223 HydrophobicContact CE2-CB 3.81Å; F219-F223 AromaticContact CE2-CD2 3.69Å; F219-F223 HydrophobicContact CE2-CD2 3.69Å; F219-F223 AromaticContact CE2-CG 3.9Å; F219-F223 HydrophobicContact CE2-CG 3.9Å; F219-F223 HydrophobicContact CZ-CB 4.04Å; F219-F223 HydrophobicContact CZ-CD1 4.41Å; F219-F223 AromaticContact CZ-CD2 3.85Å; F219-F223 HydrophobicContact CZ-CD2 3.85Å; F219-F223 HydrophobicContact CZ-CE2 4.41Å; F219-F223 AromaticContact CZ-CG 3.84Å; F219-F223 HydrophobicContact CZ-CG 3.84Å; F219-F223 WeakPolarHBondContact O-CA 3.45Å; F219-F223 WeakPolarHBondContact O-CB 3.18Å; F219-F223 PolarHBondContact O-N 3.16Å; F219-C249 HydrophobicContact CD2-CB 4.16Å; F219-C249 HydrophobicContact CE2-CB 4.34Å; F219-C249 VanDerWaalsContact CE2-O 3.31Å; F219-C249 WeakPolarHBondContact CE2-O 3.38Å; F219-I252 HydrophobicContact CB-CD1 3.8Å; F219-I252 HydrophobicContact CB-CG2 4.16Å; F219-I252 HydrophobicContact CD1-CG2 3.72Å; F219-I252 HydrophobicContact CD2-CB 3.72Å; F219-I252 HydrophobicContact CD2-CD1 4.26Å; F219-I252 HydrophobicContact CD2-CG2 3.57Å; F219-I252 HydrophobicContact CE1-CG2 3.92Å; F219-I252 HydrophobicContact CE2-CB 3.96Å; F219-I252 HydrophobicContact CE2-CG2 3.77Å; F219-I252 HydrophobicContact CG-CB 4.11Å; F219-I252 HydrophobicContact CG-CD1 4.21Å; F219-I252 HydrophobicContact CG-CG2 3.51Å; F219-I252 HydrophobicContact CZ-CG2 3.93Å; F219-D253 HydrophobicContact CE2-CB 4.11Å; F219-D253 HydrophobicContact CZ-CB 4.16Å; F219-F257 HydrophobicContact CD1-CE2 4.4Å; F219-F257 HydrophobicContact CE1-CD2 4.2Å; F219-F257 AromaticContact CE1-CE2 3.44Å; F219-F257 HydrophobicContact CE1-CE2 3.44Å; F219-F257 VanDerWaalsContact CE1-CE2 3.44Å; F219-F257 AromaticContact CE1-CZ 3.96Å; F219-F257 HydrophobicContact CE1-CZ 3.96Å; F219-F257 HydrophobicContact CZ-CD2 4.18Å; F219-F257 AromaticContact CZ-CE2 3.88Å; F219-F257 HydrophobicContact CZ-CE2 3.88Å
220G97.6Very high95.5Very high0 Ų026.9 Ų26.90%014%0.135CC..Hα-helixtrans-54.6-47.8-178.400000112.9A216 L217 T224A216-G220 PolarHBondContact O-N 2.87Å; L217-G220 PolarHBondContact O-N 3.37Å; L217-G220 VanDerWaalsContact O-N 3.16Å; G220-T224 VanDerWaalsContact O-CB 3.22Å; G220-T224 WeakPolarHBondContact O-CB 3.43Å; G220-T224 PolarHBondContact O-N 3.45Å; G220-T224 PolarHBondContact O-OG1 3.29Å
221H98.1Very high95.3Very high0 Ų021 Ų210%012%0.118CC..Hα-helixtrans-68.9-56.2176.4-71.8-76.7000112.2A43 E44 L125 E129 L217 F219 F223 T224 L225A43-H221 WeakPolarHBondContact CB-ND1 3.37Å; E44-H221 IonicContact OE1-CE1 2.77Å; E44-H221 IonicContact OE1-NE2 3.25Å; L125-H221 HydrophobicContact CD1-CB 3.86Å; E129-H221 IonicContact OE1-CE1 2.81Å; E129-H221 IonicContact OE1-CG 3.69Å; E129-H221 IonicContact OE1-ND1 2.73Å; E129-H221 PolarHBondContact OE1-ND1 3.11Å; E129-H221 IonicContact OE2-CE1 3.83Å; E129-H221 PolarHBondContact OE2-CE1 2.99Å; E129-H221 IonicContact OE2-ND1 3.97Å; E129-H221 PolarHBondContact OE2-ND1 3.04Å; E129-H221 VanDerWaalsContact OE2-ND1 3.12Å; L217-H221 PolarHBondContact O-CD2 2.99Å; L217-H221 VanDerWaalsContact O-CD2 3.3Å; L217-H221 PolarHBondContact O-N 3.07Å; F219-H221 VanDerWaalsContact C-N 3.33Å; F219-H221 PolarHBondContact O-N 2.85Å; H221-F223 PolarHBondContact O-N 3.01Å; H221-T224 WeakPolarHBondContact O-CB 3.45Å; H221-T224 PolarHBondContact O-N 3.07Å; H221-T224 VanDerWaalsContact O-N 3.12Å; H221-L225 VanDerWaalsContact O-CG 3.3Å; H221-L225 WeakPolarHBondContact O-CG 3.21Å; H221-L225 PolarHBondContact O-N 3.26Å
222L98Very high94.8Very high0 Ų024.4 Ų24.40%014%0.138CC..Hα-helixtrans-62.8-41.4-174.5-65.2-172.5000112.7L125 V218 F219 T224 L225 I226 V239 L245L125-L222 HydrophobicContact CD1-CD2 4.21Å; V218-L222 HydrophobicContact CG1-CD1 3.51Å; V218-L222 HydrophobicContact CG1-CG 3.96Å; V218-L222 VanDerWaalsContact O-CB 3.32Å; V218-L222 WeakPolarHBondContact O-CB 3.41Å; V218-L222 VanDerWaalsContact O-CG 3.26Å; V218-L222 WeakPolarHBondContact O-CG 3.28Å; V218-L222 PolarHBondContact O-N 3.09Å; F219-L222 PolarHBondContact O-N 3.31Å; L222-T224 VanDerWaalsContact C-N 3.3Å; L222-T224 PolarHBondContact O-N 3.44Å; L222-L225 HydrophobicContact CD2-CD1 4.26Å; L222-L225 PolarHBondContact O-N 2.94Å; L222-I226 WeakPolarHBondContact O-CD1 3.44Å; L222-I226 VanDerWaalsContact O-CG1 3.23Å; L222-I226 WeakPolarHBondContact O-CG1 3.43Å; L222-I226 PolarHBondContact O-N 3.41Å; L222-V239 HydrophobicContact CB-CG1 4.37Å; L222-V239 HydrophobicContact CD1-CG1 4.43Å; L222-V239 HydrophobicContact CD2-CG1 4.28Å; L222-V239 HydrophobicContact CD2-CG2 3.99Å; L222-L245 HydrophobicContact CD1-CB 4.03Å; L222-L245 HydrophobicContact CD1-CD1 4.01Å; L222-L245 HydrophobicContact CD1-CD2 4.23Å; L222-L245 HydrophobicContact CD1-CG 4.33Å
223F96Very high94.5Very high42 Ų4224.1 Ų24.118%0.18414%0.136CC..Hα-helixtrans-60.7-43176-177.2-97.3000111.1V46 F219 H221 I226 T227 D253V46-F223 HydrophobicContact CG1-CD1 4.49Å; F219-F223 HydrophobicContact CD2-CB 4.07Å; F219-F223 HydrophobicContact CE1-CB 4.46Å; F219-F223 HydrophobicContact CE2-CB 3.81Å; F219-F223 AromaticContact CE2-CD2 3.69Å; F219-F223 HydrophobicContact CE2-CD2 3.69Å; F219-F223 AromaticContact CE2-CG 3.9Å; F219-F223 HydrophobicContact CE2-CG 3.9Å; F219-F223 HydrophobicContact CZ-CB 4.04Å; F219-F223 HydrophobicContact CZ-CD1 4.41Å; F219-F223 AromaticContact CZ-CD2 3.85Å; F219-F223 HydrophobicContact CZ-CD2 3.85Å; F219-F223 HydrophobicContact CZ-CE2 4.41Å; F219-F223 AromaticContact CZ-CG 3.84Å; F219-F223 HydrophobicContact CZ-CG 3.84Å; F219-F223 WeakPolarHBondContact O-CA 3.45Å; F219-F223 WeakPolarHBondContact O-CB 3.18Å; F219-F223 PolarHBondContact O-N 3.16Å; H221-F223 PolarHBondContact O-N 3.01Å; F223-I226 PolarHBondContact O-N 3.17Å; F223-T227 HydrophobicContact CD1-CG2 4.32Å; F223-T227 HydrophobicContact CD2-CG2 4.34Å; F223-T227 HydrophobicContact CE1-CG2 3.98Å; F223-T227 HydrophobicContact CE2-CG2 4Å; F223-T227 HydrophobicContact CG-CG2 4.5Å; F223-T227 HydrophobicContact CZ-CG2 3.82Å; F223-T227 WeakPolarHBondContact O-CB 3.33Å; F223-T227 WeakPolarHBondContact O-CG2 3.41Å; F223-T227 PolarHBondContact O-N 2.9Å; F223-T227 PolarHBondContact O-OG1 2.84Å; F223-D253 HydrophobicContact CE2-CB 4.27Å
224T94.5Very high94.2Very high0 Ų029.4 Ų29.40%016%0.164CC..Hα-helixtrans-63.7-42.1176.6-64.10000111.7I39 Y42 A43 G220 H221 L222 I226 T227 T228I39-T224 HydrophobicContact CB-CG2 4.46Å; I39-T224 HydrophobicContact CD1-CG2 4.2Å; I39-T224 HydrophobicContact CG1-CG2 3.32Å; I39-T224 WeakPolarHBondContact O-CG2 3.41Å; Y42-T224 HydrophobicContact CD1-CG2 3.74Å; Y42-T224 WeakPolarHBondContact CD1-OG1 3.5Å; A43-T224 WeakPolarHBondContact CA-OG1 3.44Å; A43-T224 HydrophobicContact CB-CG2 4.15Å; G220-T224 VanDerWaalsContact O-CB 3.22Å; G220-T224 WeakPolarHBondContact O-CB 3.43Å; G220-T224 PolarHBondContact O-N 3.45Å; G220-T224 PolarHBondContact O-OG1 3.29Å; H221-T224 WeakPolarHBondContact O-CB 3.45Å; H221-T224 PolarHBondContact O-N 3.07Å; H221-T224 VanDerWaalsContact O-N 3.12Å; L222-T224 VanDerWaalsContact C-N 3.3Å; L222-T224 PolarHBondContact O-N 3.44Å; T224-I226 VanDerWaalsContact C-N 3.33Å; T224-I226 PolarHBondContact O-N 3.1Å; T224-T227 PolarHBondContact O-N 3.39Å; T224-T228 WeakPolarHBondContact O-CB 3.48Å; T224-T228 PolarHBondContact O-N 3.07Å; T224-T228 PolarHBondContact O-OG1 3.44Å
225L95.2Very high94.1Very high2 Ų229.5 Ų29.51%0.0117%0.165CC..Hα-helixtrans-63.5-36.6175.5-64178.6000112.7I39 E129 M189 H221 L222 L235 G236 V239I39-L225 HydrophobicContact CD1-CD2 4.13Å; E129-L225 HydrophobicContact CG-CD2 4.13Å; M189-L225 HydrophobicContact CE-CD1 3.61Å; M189-L225 HydrophobicContact CE-CD2 3.68Å; M189-L225 HydrophobicContact CE-CG 4.32Å; H221-L225 VanDerWaalsContact O-CG 3.3Å; H221-L225 WeakPolarHBondContact O-CG 3.21Å; H221-L225 PolarHBondContact O-N 3.26Å; L222-L225 HydrophobicContact CD2-CD1 4.26Å; L222-L225 PolarHBondContact O-N 2.94Å; L225-L235 HydrophobicContact CB-CB 4.21Å; L225-L235 HydrophobicContact CD2-CB 4.01Å; L225-L235 HydrophobicContact CD2-CD1 3.58Å; L225-L235 HydrophobicContact CD2-CG 4.32Å; L225-G236 WeakPolarHBondContact O-CA 3.5Å; L225-G236 PolarHBondContact O-N 2.84Å; L225-V239 HydrophobicContact CB-CG2 4.07Å; L225-V239 HydrophobicContact CD1-CG2 4.23Å
226I94.4Very high93.8Very high42 Ų4229.7 Ų29.722%0.21517%0.167CC..Hα-helixtrans-70.8-39.6178.3-69.2162.8000111.5L222 F223 T224 V239 C249L222-I226 WeakPolarHBondContact O-CD1 3.44Å; L222-I226 VanDerWaalsContact O-CG1 3.23Å; L222-I226 WeakPolarHBondContact O-CG1 3.43Å; L222-I226 PolarHBondContact O-N 3.41Å; F223-I226 PolarHBondContact O-N 3.17Å; T224-I226 VanDerWaalsContact C-N 3.33Å; T224-I226 PolarHBondContact O-N 3.1Å; I226-V239 HydrophobicContact CD1-CB 4.27Å; I226-V239 HydrophobicContact CD1-CG1 3.75Å; I226-V239 HydrophobicContact CG1-CB 3.88Å; I226-V239 HydrophobicContact CG1-CG1 3.94Å; I226-V239 HydrophobicContact CG1-CG2 4.25Å; I226-C249 HydrophobicContact CD1-CB 4.3Å
227T92.2Very high93.7Very high69 Ų6931.5 Ų31.542%0.42318%0.182SC..Hα-helixtrans-96.8-9.8-168.855.90000114.3F223 T224F223-T227 HydrophobicContact CD1-CG2 4.32Å; F223-T227 HydrophobicContact CD2-CG2 4.34Å; F223-T227 HydrophobicContact CE1-CG2 3.98Å; F223-T227 HydrophobicContact CE2-CG2 4Å; F223-T227 HydrophobicContact CG-CG2 4.5Å; F223-T227 HydrophobicContact CZ-CG2 3.82Å; F223-T227 WeakPolarHBondContact O-CB 3.33Å; F223-T227 WeakPolarHBondContact O-CG2 3.41Å; F223-T227 PolarHBondContact O-N 2.9Å; F223-T227 PolarHBondContact O-OG1 2.84Å; T224-T227 PolarHBondContact O-N 3.39Å
228T90.7Very high93.6Very high20 Ų2032.2 Ų32.212%0.12319%0.186CC..  trans-97.3117.4-179.1-54.60000111.8I39 T224 L230I39-T228 HydrophobicContact CD1-CG2 3.93Å; I39-T228 HydrophobicContact CG1-CG2 4.2Å; T224-T228 WeakPolarHBondContact O-CB 3.48Å; T224-T228 PolarHBondContact O-N 3.07Å; T224-T228 PolarHBondContact O-OG1 3.44Å; T228-L230 HydrophobicContact CG2-CD2 3.99Å; T228-L230 HydrophobicContact CG2-CG 4.18Å
229D89.9Confident93.5Very high148 Ų14832.2 Ų32.279%0.79119%0.186SC*.  trans-82125.2170.7-71.6-37.1000111.3
230L90.1Very high93.4Very high22 Ų2237.6 Ų37.612%0.11521%0.209CC..BIsolated β-bridgetrans-121.6143.9176.2-64.8-179.5000111.7I39 I132 V139 V143 T228 T232 V233 L235I39-L230 HydrophobicContact CD1-CD1 4.19Å; I132-L230 HydrophobicContact CG2-CD1 3.6Å; V139-L230 HydrophobicContact CG1-CD2 4.17Å; V139-L230 HydrophobicContact CG2-CB 4.37Å; V143-L230 HydrophobicContact CG1-CD2 4.29Å; T228-L230 HydrophobicContact CG2-CD2 3.99Å; T228-L230 HydrophobicContact CG2-CG 4.18Å; L230-T232 PolarHBondContact O-N 2.95Å; L230-V233 HydrophobicContact CB-CB 4.43Å; L230-L235 HydrophobicContact CD1-CD1 3.65Å; L230-L235 HydrophobicContact CD1-CG 4.38Å
231P87.9Confident93.4Very high36 Ų3642.2 Ų42.223%0.23423%0.231CC..THydrogen-bonded Turntrans-58.8134.5172-21.630.6000110.6P138 K142 V143 V233P138-P231 HydrophobicContact CB-CB 4.48Å; K142-P231 HydrophobicContact CB-CG 4.21Å; K142-P231 HydrophobicContact CD-CB 4.48Å; K142-P231 HydrophobicContact CD-CG 4.39Å; V143-P231 VanDerWaalsContact CG2-CD 3.42Å; V143-P231 HydrophobicContact CG2-CG 3.68Å; P231-V233 PolarHBondContact O-N 3.04Å
232T84.7Confident93.4Very high111 Ų11143.4 Ų43.468%0.68124%0.236SC*.THydrogen-bonded Turntrans63.5-2.5172.863.10000116.4P138 L230P138-T232 HydrophobicContact CB-CG2 4.21Å; P138-T232 HydrophobicContact CG-CG2 4.35Å; L230-T232 PolarHBondContact O-N 2.95Å
233V89Confident93.4Very high10 Ų1047.4 Ų47.46%0.06126%0.262CS..BIsolated β-bridgetrans-135.3120.2-175.5-171.40000109.5V136 V139 L182 L186 L230 P231 L235V136-V233 HydrophobicContact CG1-CG2 4.47Å; V139-V233 HydrophobicContact CG2-CG2 4.39Å; L182-V233 HydrophobicContact CD2-CG2 4.03Å; L186-V233 HydrophobicContact CD2-CG1 3.96Å; L230-V233 HydrophobicContact CB-CB 4.43Å; P231-V233 PolarHBondContact O-N 3.04Å; V233-L235 HydrophobicContact CG1-CD2 3.45Å; V233-L235 VanDerWaalsContact CG1-CD2 3.45Å; V233-L235 HydrophobicContact CG1-CG 3.86Å
234N92Very high93.5Very high114 Ų11446.3 Ų46.361%0.6126%0.258SS*.  trans-106.288175.1-172.4-19.4000109.7G236 A237N234-G236 PolarHBondContact OD1-N 3.41Å; N234-A237 HydrophobicContact CB-CB 4.14Å; N234-A237 PolarHBondContact O-N 2.94Å; N234-A237 WeakPolarHBondContact OD1-CB 3.29Å; N234-A237 PolarHBondContact OD1-N 3.31Å
235L93.4Very high93.6Very high2 Ų246.3 Ų46.31%0.0126%0.258CS..SBendtrans-69.8-36.5-179.2-59.8177.4000111.8I39 I132 L186 M189 L225 L230 V233 A237 I238I39-L235 HydrophobicContact CD1-CD1 3.82Å; I132-L235 HydrophobicContact CD1-CD1 3.91Å; I132-L235 HydrophobicContact CD1-CD2 3.64Å; I132-L235 HydrophobicContact CD1-CG 4.4Å; L186-L235 HydrophobicContact CD2-CD2 3.66Å; M189-L235 HydrophobicContact CE-CD2 4.13Å; M189-L235 HydrophobicContact SD-CD2 4.06Å; L225-L235 HydrophobicContact CB-CB 4.21Å; L225-L235 HydrophobicContact CD2-CB 4.01Å; L225-L235 HydrophobicContact CD2-CD1 3.58Å; L225-L235 HydrophobicContact CD2-CG 4.32Å; L230-L235 HydrophobicContact CD1-CD1 3.65Å; L230-L235 HydrophobicContact CD1-CG 4.38Å; V233-L235 HydrophobicContact CG1-CD2 3.45Å; V233-L235 VanDerWaalsContact CG1-CD2 3.45Å; V233-L235 HydrophobicContact CG1-CG 3.86Å; L235-A237 PolarHBondContact O-N 2.94Å; L235-I238 WeakPolarHBondContact O-CB 3.42Å; L235-I238 PolarHBondContact O-N 2.68Å
236G93.5Very high93.7Very high4 Ų449.2 Ų49.24%0.04127%0.271CS..Hα-helixtrans-58.1-32.5175.500000113.2L225 N234 I238 V239 K240L225-G236 WeakPolarHBondContact O-CA 3.5Å; L225-G236 PolarHBondContact O-N 2.84Å; N234-G236 PolarHBondContact OD1-N 3.41Å; G236-I238 PolarHBondContact O-N 3.35Å; G236-V239 PolarHBondContact O-N 3.23Å; G236-K240 WeakPolarHBondContact O-CB 3.38Å; G236-K240 VanDerWaalsContact O-CG 3.23Å; G236-K240 WeakPolarHBondContact O-CG 3.33Å; G236-K240 PolarHBondContact O-N 3.48Å
237A95.4Very high93.8Very high39 Ų3953.1 Ų53.132%0.32228%0.284SS..Hα-helixtrans-65-22.3174.900000113.8N234 L235 Q241N234-A237 HydrophobicContact CB-CB 4.14Å; N234-A237 PolarHBondContact O-N 2.94Å; N234-A237 WeakPolarHBondContact OD1-CB 3.29Å; N234-A237 PolarHBondContact OD1-N 3.31Å; L235-A237 PolarHBondContact O-N 2.94Å; A237-Q241 WeakPolarHBondContact O-CG 3.42Å; A237-Q241 PolarHBondContact O-NE2 3.18Å
238I96.4Very high94.1Very high15 Ų1550 Ų508%0.07726%0.264CS..Hα-helixtrans-73.1-50.7172.6-61.8175.6000109.4L186 M189 K190 L235 G236 K240 Q241 F242L186-I238 HydrophobicContact CB-CD1 4.06Å; L186-I238 HydrophobicContact CD2-CD1 3.82Å; L186-I238 HydrophobicContact CG-CD1 4.46Å; M189-I238 HydrophobicContact CB-CD1 4.38Å; K190-I238 HydrophobicContact CB-CG2 3.88Å; K190-I238 HydrophobicContact CG-CG2 4.42Å; L235-I238 WeakPolarHBondContact O-CB 3.42Å; L235-I238 PolarHBondContact O-N 2.68Å; G236-I238 PolarHBondContact O-N 3.35Å; I238-K240 VanDerWaalsContact C-N 3.32Å; I238-K240 PolarHBondContact O-N 3.39Å; I238-Q241 WeakPolarHBondContact O-CB 3.22Å; I238-Q241 PolarHBondContact O-N 2.95Å; I238-Q241 VanDerWaalsContact O-N 3.15Å; I238-F242 WeakPolarHBondContact O-CD2 3.45Å
239V96.1Very high94.4Very high0 Ų049.3 Ų49.30%026%0.26CS..Hα-helixtrans-64.5-38.7-177.9-170.40000111.2L222 L225 I226 G236 Q241 F242 L245L222-V239 HydrophobicContact CB-CG1 4.37Å; L222-V239 HydrophobicContact CD1-CG1 4.43Å; L222-V239 HydrophobicContact CD2-CG1 4.28Å; L222-V239 HydrophobicContact CD2-CG2 3.99Å; L225-V239 HydrophobicContact CB-CG2 4.07Å; L225-V239 HydrophobicContact CD1-CG2 4.23Å; I226-V239 HydrophobicContact CD1-CB 4.27Å; I226-V239 HydrophobicContact CD1-CG1 3.75Å; I226-V239 HydrophobicContact CG1-CB 3.88Å; I226-V239 HydrophobicContact CG1-CG1 3.94Å; I226-V239 HydrophobicContact CG1-CG2 4.25Å; G236-V239 PolarHBondContact O-N 3.23Å; V239-Q241 PolarHBondContact O-N 3.32Å; V239-Q241 VanDerWaalsContact O-N 3.1Å; V239-F242 PolarHBondContact O-N 3.06Å; V239-L245 HydrophobicContact CG1-CB 4.46Å
240K96Very high94.7Very high114 Ų11446.4 Ų46.450%0.49624%0.244SC..THydrogen-bonded Turntrans-63-13.6176.7-73.8173.8178.4178.60114.7G236 I238 F242G236-K240 WeakPolarHBondContact O-CB 3.38Å; G236-K240 VanDerWaalsContact O-CG 3.23Å; G236-K240 WeakPolarHBondContact O-CG 3.33Å; G236-K240 PolarHBondContact O-N 3.48Å; I238-K240 VanDerWaalsContact C-N 3.32Å; I238-K240 PolarHBondContact O-N 3.39Å; K240-F242 PolarHBondContact O-N 3.16Å
241Q97.6Very high95Very high97 Ų9748 Ų4845%0.45325%0.251SS..THydrogen-bonded Turntrans-73.4-9.8169.9-70.1166.962.700112.7A237 I238 V239 P243A237-Q241 WeakPolarHBondContact O-CG 3.42Å; A237-Q241 PolarHBondContact O-NE2 3.18Å; I238-Q241 WeakPolarHBondContact O-CB 3.22Å; I238-Q241 PolarHBondContact O-N 2.95Å; I238-Q241 VanDerWaalsContact O-N 3.15Å; V239-Q241 PolarHBondContact O-N 3.32Å; V239-Q241 VanDerWaalsContact O-N 3.1Å; Q241-P243 WeakPolarHBondContact O-CD 3.49Å
242F98.2Very high95.5Very high25 Ų2546.3 Ų46.311%0.1124%0.24CC..  trans-123.583-178.4-54.7-83.3000110.1K190 C193 R194 I238 V239 K240 N244 L245 E246K190-F242 HydrophobicContact CG-CE2 4.2Å; K190-F242 HydrophobicContact CG-CZ 4.09Å; K190-F242 WeakPolarHBondContact O-CZ 3.46Å; C193-F242 HydrophobicContact CB-CD2 3.55Å; C193-F242 HydrophobicContact CB-CE2 3.39Å; C193-F242 HydrophobicContact CB-CG 4.31Å; C193-F242 HydrophobicContact CB-CZ 4.05Å; R194-F242 VanDerWaalsContact CA-CE1 3.45Å; R194-F242 HydrophobicContact CB-CE1 3.68Å; R194-F242 HydrophobicContact CB-CZ 3.84Å; R194-F242 HydrophobicContact CG-CE1 4.19Å; I238-F242 WeakPolarHBondContact O-CD2 3.45Å; V239-F242 PolarHBondContact O-N 3.06Å; K240-F242 PolarHBondContact O-N 3.16Å; F242-N244 PolarHBondContact O-N 2.83Å; F242-N244 VanDerWaalsContact O-N 3.1Å; F242-L245 HydrophobicContact CB-CB 4.19Å; F242-L245 HydrophobicContact CB-CD1 3.89Å; F242-L245 HydrophobicContact CB-CG 4.05Å; F242-L245 HydrophobicContact CG-CD1 4.3Å; F242-L245 WeakPolarHBondContact O-CB 3.47Å; F242-L245 PolarHBondContact O-N 3.08Å; F242-E246 PolarHBondContact O-N 2.87Å
243P97.7Very high96Very high83 Ų8341.8 Ų41.854%0.53921%0.212SC..Hα-helixtrans-58.8-27.5-172.9-27.335.5000114.9Q241 R247Q241-P243 WeakPolarHBondContact O-CD 3.49Å; P243-R247 WeakPolarHBondContact O-CB 3.36Å; P243-R247 PolarHBondContact O-N 3.04Å
244N98Very high96.4Very high19 Ų1946.8 Ų46.810%0.10223%0.234CC..Hα-helixtrans-70.3-34.317663.8-22000112.7S197 L200 Q201 F242 R247 L248S197-N244 PolarHBondContact O-ND2 3.34Å; S197-N244 VanDerWaalsContact OG-CG 3.31Å; S197-N244 PolarHBondContact OG-ND2 2.85Å; S197-N244 VanDerWaalsContact OG-ND2 3.15Å; S197-N244 PolarHBondContact OG-OD1 3.26Å; L200-N244 HydrophobicContact CD2-CB 4.13Å; L200-N244 WeakPolarHBondContact CD2-O 3.46Å; Q201-N244 PolarHBondContact O-ND2 3.4Å; Q201-N244 VanDerWaalsContact O-ND2 3.17Å; F242-N244 PolarHBondContact O-N 2.83Å; F242-N244 VanDerWaalsContact O-N 3.1Å; N244-R247 PolarHBondContact O-N 3.37Å; N244-L248 PolarHBondContact O-N 3.42Å
245L98.4Very high96.5Very high0 Ų044.9 Ų44.90%023%0.227CC..Hα-helixtrans-71.2-39.6173.3-66.3-176.9000112C193 L196 L200 L222 V239 F242 R247 L248 C249C193-L245 HydrophobicContact CB-CD1 4.03Å; C193-L245 VanDerWaalsContact O-CD1 3.3Å; C193-L245 WeakPolarHBondContact O-CD1 3.42Å; L196-L245 HydrophobicContact CB-CD1 4.23Å; L196-L245 HydrophobicContact CB-CD2 4.06Å; L200-L245 HydrophobicContact CD2-CD2 3.95Å; L222-L245 HydrophobicContact CD1-CB 4.03Å; L222-L245 HydrophobicContact CD1-CD1 4.01Å; L222-L245 HydrophobicContact CD1-CD2 4.23Å; L222-L245 HydrophobicContact CD1-CG 4.33Å; V239-L245 HydrophobicContact CG1-CB 4.46Å; F242-L245 HydrophobicContact CB-CB 4.19Å; F242-L245 HydrophobicContact CB-CD1 3.89Å; F242-L245 HydrophobicContact CB-CG 4.05Å; F242-L245 HydrophobicContact CG-CD1 4.3Å; F242-L245 WeakPolarHBondContact O-CB 3.47Å; F242-L245 PolarHBondContact O-N 3.08Å; L245-R247 VanDerWaalsContact C-N 3.32Å; L245-L248 WeakPolarHBondContact O-CB 3.42Å; L245-L248 PolarHBondContact O-N 3.13Å; L245-C249 PolarHBondContact O-N 2.95Å; L245-C249 PolarHBondContact O-SG 3.22Å
246E96.6Very high96.6Very high63 Ų6347.3 Ų47.329%0.29424%0.236SC..Hα-helixtrans-60.7-44.1172.7-176.5173.2-151.100110.7F242 L248 C249 L250F242-E246 PolarHBondContact O-N 2.87Å; E246-L248 PolarHBondContact O-N 3.37Å; E246-C249 PolarHBondContact O-N 2.98Å; E246-L250 HydrophobicContact CG-CD1 4.28Å; E246-L250 WeakPolarHBondContact O-CG 3.3Å; E246-L250 PolarHBondContact O-N 3.42Å
247R97.1Very high96.6Very high125 Ų12549.6 Ų49.647%0.47225%0.245SC..Hα-helixtrans-59.1-45.2173.9-172.1-167.5-54.51400.3112.3E202 P243 N244 L245 C249 L250 Q251E202-R247 IonicContact OE2-NH1 2.66Å; E202-R247 PolarHBondContact OE2-NH1 2.82Å; P243-R247 WeakPolarHBondContact O-CB 3.36Å; P243-R247 PolarHBondContact O-N 3.04Å; N244-R247 PolarHBondContact O-N 3.37Å; L245-R247 VanDerWaalsContact C-N 3.32Å; R247-C249 VanDerWaalsContact C-N 3.29Å; R247-C249 PolarHBondContact O-N 2.96Å; R247-L250 PolarHBondContact O-N 3.15Å; R247-Q251 WeakPolarHBondContact O-CB 3.47Å; R247-Q251 PolarHBondContact O-N 2.96Å
248L98Very high96.2Very high4 Ų454.1 Ų54.12%0.02126%0.257CS..Hα-helixtrans-56.1-46.4175.2177.168.5000110.7L200 P204 Y205 L206 V218 N244 L245 E246 Q251 I252L200-L248 HydrophobicContact CD1-CD1 4.42Å; L200-L248 HydrophobicContact CD1-CD2 4.41Å; L200-L248 HydrophobicContact CD2-CB 3.92Å; L200-L248 HydrophobicContact CD2-CD2 4.14Å; P204-L248 WeakPolarHBondContact O-CD1 3.4Å; Y205-L248 HydrophobicContact CD1-CD1 4.26Å; L206-L248 HydrophobicContact CG-CD2 4.43Å; V218-L248 HydrophobicContact CG1-CD2 4.45Å; N244-L248 PolarHBondContact O-N 3.42Å; L245-L248 WeakPolarHBondContact O-CB 3.42Å; L245-L248 PolarHBondContact O-N 3.13Å; E246-L248 PolarHBondContact O-N 3.37Å; L248-Q251 PolarHBondContact O-N 3.06Å; L248-I252 HydrophobicContact CD1-CD1 3.86Å; L248-I252 HydrophobicContact CD1-CG1 4.42Å; L248-I252 HydrophobicContact CG-CD1 3.98Å; L248-I252 WeakPolarHBondContact O-CG1 3.49Å; L248-I252 PolarHBondContact O-N 3.22Å
249C97.6Very high94.7Very high4 Ų455 Ų553%0.02727%0.271CS..Hα-helixtrans-63.4-46179.2-63.60000112.2F219 I226 L245 E246 R247 Q251 I252 D253F219-C249 HydrophobicContact CD2-CB 4.16Å; F219-C249 HydrophobicContact CE2-CB 4.34Å; F219-C249 VanDerWaalsContact CE2-O 3.31Å; F219-C249 WeakPolarHBondContact CE2-O 3.38Å; I226-C249 HydrophobicContact CD1-CB 4.3Å; L245-C249 PolarHBondContact O-N 2.95Å; L245-C249 PolarHBondContact O-SG 3.22Å; E246-C249 PolarHBondContact O-N 2.98Å; R247-C249 VanDerWaalsContact C-N 3.29Å; R247-C249 PolarHBondContact O-N 2.96Å; C249-Q251 VanDerWaalsContact C-N 3.33Å; C249-Q251 PolarHBondContact O-N 3.01Å; C249-I252 PolarHBondContact O-N 2.92Å; C249-D253 WeakPolarHBondContact O-CB 3.49Å; C249-D253 PolarHBondContact O-N 3.1Å
250L95.8Very high92.4Very high87 Ų8760.9 Ų60.946%0.45531%0.309SS..Hα-helixtrans-61.6-41.1177.4-70.3171.9000112.1E246 R247 Q254E246-L250 HydrophobicContact CG-CD1 4.28Å; E246-L250 WeakPolarHBondContact O-CG 3.3Å; E246-L250 PolarHBondContact O-N 3.42Å; R247-L250 PolarHBondContact O-N 3.15Å; L250-Q254 VanDerWaalsContact O-CB 3.32Å; L250-Q254 WeakPolarHBondContact O-CB 3.42Å; L250-Q254 WeakPolarHBondContact O-CG 3.46Å; L250-Q254 PolarHBondContact O-N 2.62Å
251Q96Very high89.7Confident56 Ų5661.6 Ų61.626%0.26232%0.323SS..Hα-helixtrans-63-47178-177.5-175.1-57.800111.4P204 R247 L248 C249 Q254 T255P204-Q251 PolarHBondContact O-NE2 3.42Å; R247-Q251 WeakPolarHBondContact O-CB 3.47Å; R247-Q251 PolarHBondContact O-N 2.96Å; L248-Q251 PolarHBondContact O-N 3.06Å; C249-Q251 VanDerWaalsContact C-N 3.33Å; C249-Q251 PolarHBondContact O-N 3.01Å; Q251-Q254 PolarHBondContact O-N 3.18Å; Q251-T255 VanDerWaalsContact O-CB 3.26Å; Q251-T255 WeakPolarHBondContact O-CB 3.35Å; Q251-T255 PolarHBondContact O-N 3.38Å; Q251-T255 PolarHBondContact O-OG1 2.94Å
252I97.5Very high86.5Confident0 Ų065.5 Ų65.50%034%0.341CS..Hα-helixtrans-65-45.5179.4-70.1170.7000110.6T50 M54 Y205 D215 F219 L248 C249 Q254 T255 Y256T50-I252 HydrophobicContact CG2-CG2 3.65Å; M54-I252 HydrophobicContact CE-CD1 3.71Å; M54-I252 HydrophobicContact CE-CG1 3.87Å; M54-I252 HydrophobicContact CE-CG2 3.89Å; Y205-I252 HydrophobicContact CE1-CG1 4.34Å; D215-I252 HydrophobicContact CB-CD1 4.38Å; F219-I252 HydrophobicContact CB-CD1 3.8Å; F219-I252 HydrophobicContact CB-CG2 4.16Å; F219-I252 HydrophobicContact CD1-CG2 3.72Å; F219-I252 HydrophobicContact CD2-CB 3.72Å; F219-I252 HydrophobicContact CD2-CD1 4.26Å; F219-I252 HydrophobicContact CD2-CG2 3.57Å; F219-I252 HydrophobicContact CE1-CG2 3.92Å; F219-I252 HydrophobicContact CE2-CB 3.96Å; F219-I252 HydrophobicContact CE2-CG2 3.77Å; F219-I252 HydrophobicContact CG-CB 4.11Å; F219-I252 HydrophobicContact CG-CD1 4.21Å; F219-I252 HydrophobicContact CG-CG2 3.51Å; F219-I252 HydrophobicContact CZ-CG2 3.93Å; L248-I252 HydrophobicContact CD1-CD1 3.86Å; L248-I252 HydrophobicContact CD1-CG1 4.42Å; L248-I252 HydrophobicContact CG-CD1 3.98Å; L248-I252 WeakPolarHBondContact O-CG1 3.49Å; L248-I252 PolarHBondContact O-N 3.22Å; C249-I252 PolarHBondContact O-N 2.92Å; I252-Q254 PolarHBondContact O-N 3.03Å; I252-T255 PolarHBondContact O-N 2.92Å; I252-Y256 HydrophobicContact CB-CD2 4.43Å; I252-Y256 HydrophobicContact CG2-CD2 3.9Å; I252-Y256 WeakPolarHBondContact O-CD2 3.43Å; I252-Y256 PolarHBondContact O-N 3.16Å
253D96.4Very high83.4Confident17 Ų1771.2 Ų71.29%0.09137%0.371CS..Iπ-helixtrans-59-47.2176.9-179.755.5000111.8F219 F223 C249 F257 K258F219-D253 HydrophobicContact CE2-CB 4.11Å; F219-D253 HydrophobicContact CZ-CB 4.16Å; F223-D253 HydrophobicContact CE2-CB 4.27Å; C249-D253 WeakPolarHBondContact O-CB 3.49Å; C249-D253 PolarHBondContact O-N 3.1Å; D253-F257 WeakPolarHBondContact O-CA 3.4Å; D253-F257 WeakPolarHBondContact O-CB 3.26Å; D253-F257 PolarHBondContact O-N 3.33Å; D253-K258 PolarHBondContact O-N 3.27Å; D253-K258 WeakPolarHBondContact OD2-CE 3.42Å; D253-K258 IonicContact OD2-NZ 2.64Å; D253-K258 PolarHBondContact OD2-NZ 2.98Å
254Q95.9Very high80.3Confident115 Ų11576.1 Ų76.154%0.53739%0.387SS..Iπ-helixtrans-62.6-44.5176.7-74.5174.20.300112.5L250 Q251 I252 K258L250-Q254 VanDerWaalsContact O-CB 3.32Å; L250-Q254 WeakPolarHBondContact O-CB 3.42Å; L250-Q254 WeakPolarHBondContact O-CG 3.46Å; L250-Q254 PolarHBondContact O-N 2.62Å; Q251-Q254 PolarHBondContact O-N 3.18Å; I252-Q254 PolarHBondContact O-N 3.03Å; Q254-K258 HydrophobicContact CG-CD 4.43Å
255T95.5Very high77.3Confident74 Ų7486 Ų8645%0.45444%0.44SS..Iπ-helixtrans-71.8-42-173.7-55.40000112.3Q251 I252Q251-T255 VanDerWaalsContact O-CB 3.26Å; Q251-T255 WeakPolarHBondContact O-CB 3.35Å; Q251-T255 PolarHBondContact O-N 3.38Å; Q251-T255 PolarHBondContact O-OG1 2.94Å; I252-T255 PolarHBondContact O-N 2.92Å
256Y95.2Very high76.2Confident52 Ų5290.4 Ų90.420%0.20446%0.462CS..Iπ-helixtrans-109.1-23.4-168.4-61-73.7000114.5L53 M54 I252L53-Y256 HydrophobicContact CB-CD1 4.16Å; L53-Y256 HydrophobicContact CB-CG 4.43Å; M54-Y256 HydrophobicContact CB-CE1 4.34Å; M54-Y256 HydrophobicContact CE-CD2 4.35Å; M54-Y256 HydrophobicContact CE-CE2 3.96Å; M54-Y256 HydrophobicContact CG-CD1 4.31Å; M54-Y256 HydrophobicContact CG-CD2 4.19Å; M54-Y256 HydrophobicContact CG-CE1 3.92Å; M54-Y256 HydrophobicContact CG-CE2 3.78Å; M54-Y256 HydrophobicContact CG-CG 4.45Å; I252-Y256 HydrophobicContact CB-CD2 4.43Å; I252-Y256 HydrophobicContact CG2-CD2 3.9Å; I252-Y256 WeakPolarHBondContact O-CD2 3.43Å; I252-Y256 PolarHBondContact O-N 3.16Å
257F93.5Very high75.1Confident52 Ų5291.8 Ų91.823%0.22847%0.471CS..Iπ-helixtrans-110.3-34.3-175-67.5-93000113.7R49 T50 L53 F219 D253R49-F257 HydrophobicContact CG-CE1 4.02Å; R49-F257 HydrophobicContact CG-CZ 4.29Å; T50-F257 HydrophobicContact CG2-CE2 4.38Å; T50-F257 WeakPolarHBondContact OG1-CE2 3.46Å; T50-F257 VanDerWaalsContact OG1-CZ 3.29Å; T50-F257 WeakPolarHBondContact OG1-CZ 3.36Å; L53-F257 HydrophobicContact CD1-CD1 4.18Å; L53-F257 HydrophobicContact CD1-CD2 4.45Å; L53-F257 HydrophobicContact CD1-CE1 3.82Å; L53-F257 HydrophobicContact CD1-CE2 4.1Å; L53-F257 HydrophobicContact CD1-CG 4.5Å; L53-F257 HydrophobicContact CD1-CZ 3.77Å; F219-F257 HydrophobicContact CD1-CE2 4.4Å; F219-F257 HydrophobicContact CE1-CD2 4.2Å; F219-F257 AromaticContact CE1-CE2 3.44Å; F219-F257 HydrophobicContact CE1-CE2 3.44Å; F219-F257 VanDerWaalsContact CE1-CE2 3.44Å; F219-F257 AromaticContact CE1-CZ 3.96Å; F219-F257 HydrophobicContact CE1-CZ 3.96Å; F219-F257 HydrophobicContact CZ-CD2 4.18Å; F219-F257 AromaticContact CZ-CE2 3.88Å; F219-F257 HydrophobicContact CZ-CE2 3.88Å; D253-F257 WeakPolarHBondContact O-CA 3.4Å; D253-F257 WeakPolarHBondContact O-CB 3.26Å; D253-F257 PolarHBondContact O-N 3.33Å
258K86.6Confident73.9Confident134 Ų13489.9 Ų89.958%0.58347%0.471SS*.SBendtrans-91.4-9-177.7-68.4175.7169.6158.50114.3D253 Q254D253-K258 PolarHBondContact O-N 3.27Å; D253-K258 WeakPolarHBondContact OD2-CE 3.42Å; D253-K258 IonicContact OD2-NZ 2.64Å; D253-K258 PolarHBondContact OD2-NZ 2.98Å; Q254-K258 HydrophobicContact CG-CD 4.43Å
259G64.3Low72.5Confident35 Ų3595 Ų9536%0.36150%0.497SS..  trans64.1167-177.500000112.8T261G259-T261 PolarHBondContact O-N 3.48Å; G259-T261 VanDerWaalsContact O-N 3.1Å
260P49.2Very low70.9Confident123 Ų123100.7 Ų100.780%0.79953%0.527SS*.SBendtrans-60.7118.6163.525.4-29.2000106.8Q262P260-Q262 PolarHBondContact O-N 3.5Å
261T38.6Very low69.3Low129 Ų129101.6 Ų101.679%0.79153%0.532SS*.  trans-43.9110170.7-11.30000106.8G259 I263G259-T261 PolarHBondContact O-N 3.48Å; G259-T261 VanDerWaalsContact O-N 3.1Å; T261-I263 VanDerWaalsContact C-N 3.31Å; T261-I263 PolarHBondContact O-N 3.3Å
262Q30.6Very low67.3Low179 Ų179104.9 Ų104.984%0.83655%0.551SS**  trans-62.4107.4167.6-66.8-154.1-1000104.6P260 E264P260-Q262 PolarHBondContact O-N 3.5Å; Q262-E264 VanDerWaalsContact C-N 3.27Å; Q262-E264 PolarHBondContact O-N 3.23Å
263I33.9Very low65Low145 Ų145112.9 Ų112.974%0.74459%0.593SS**  trans-63.4103.5165.3-60.8172.3000102.8T261 D265T261-I263 VanDerWaalsContact C-N 3.31Å; T261-I263 PolarHBondContact O-N 3.3Å; I263-D265 PolarHBondContact O-N 3.22Å; I263-D265 VanDerWaalsContact O-N 3.12Å
264E31.5Very low62.4Low186 Ų186120.9 Ų120.987%0.86964%0.635SS**  trans-60.2110.4166.2-69.7177.8162.900106.2Q262Q262-E264 VanDerWaalsContact C-N 3.27Å; Q262-E264 PolarHBondContact O-N 3.23Å
265D34.3Very low59.4Low227 Ų227121.5 Ų121.5100%1.21464%0.644SS**  trans-68.50163.2-73.9-34.3000110.4I263I263-D265 PolarHBondContact O-N 3.22Å; I263-D265 VanDerWaalsContact O-N 3.12Å

Retrieved 265 of 265 residues in 1826.6 ms (Link to these results)

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