A0A077ZAK0_TRITR Loading...

mitogen-activated protein kinase kinase

AlphaFold DB , UniProt , Accession A0A077ZAK0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 422 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
1M30.8Very low32.9Very low246 Ų246151.5 Ų151.5100%1.21281%0.813SS**  082.60-71.3-174.1-13500108
2T28.8Very low33.3Very low143 Ų143143.6 Ų143.688%0.87779%0.794SS**  trans-100.3119-176.8-2.80000107.7L4T2-L4 PolarHBondContact O-N 2.76Å
3A26.8Very low33.4Very low101 Ų101138.1 Ų138.184%0.83576%0.762SS**  trans-63.5117.9-17600000110.9G5A3-G5 PolarHBondContact O-N 3.33Å; A3-G5 VanDerWaalsContact O-N 3.17Å
4L29.6Very low33.6Very low172 Ų172137.4 Ų137.490%0.90176%0.763SS**  trans-63111.1165.7-87.8147.7000108.5T2 K6T2-L4 PolarHBondContact O-N 2.76Å; L4-K6 PolarHBondContact O-N 2.69Å; L4-K6 VanDerWaalsContact O-N 3.1Å
5G27Very low33.7Very low71 Ų71133.8 Ų133.873%0.73274%0.742SS**  trans-57.2110.9175.200000110.6A3 V7A3-G5 PolarHBondContact O-N 3.33Å; A3-G5 VanDerWaalsContact O-N 3.17Å; G5-V7 PolarHBondContact O-N 3.28Å; G5-V7 VanDerWaalsContact O-N 3.09Å
6K28.9Very low33.9Very low189 Ų189128.4 Ų128.482%0.82272%0.715SS**  trans-64106.3164.5-79.2179174.91790107.7L4 R8L4-K6 PolarHBondContact O-N 2.69Å; L4-K6 VanDerWaalsContact O-N 3.1Å; K6-R8 VanDerWaalsContact C-N 3.28Å; K6-R8 PolarHBondContact O-N 2.81Å
7V30.7Very low34.2Very low147 Ų147126 Ų12689%0.89171%0.706SS**  trans-59.697.4160.9179.50000106.4G5G5-V7 PolarHBondContact O-N 3.28Å; G5-V7 VanDerWaalsContact O-N 3.09Å
8R30.9Very low34.9Very low218 Ų218120.6 Ų120.682%0.82368%0.677SS**  trans-75.4127.5174.2-76.3179.7172171.6-2.6107.8K6 I10K6-R8 VanDerWaalsContact C-N 3.28Å; K6-R8 PolarHBondContact O-N 2.81Å; R8-I10 PolarHBondContact O-N 2.85Å
9N42.8Very low35.1Very low70 Ų70115.6 Ų115.637%0.37465%0.649SS.*  trans-62117.8170.4-178.6-13.3000109.5K11 G12 L13N9-K11 PolarHBondContact O-N 3.31Å; N9-K11 VanDerWaalsContact O-N 3.11Å; N9-K11 PolarHBondContact OD1-N 3.35Å; N9-G12 PolarHBondContact O-N 2.86Å; N9-L13 WeakPolarHBondContact ND2-CA 3.36Å; N9-L13 VanDerWaalsContact ND2-CB 3.26Å; N9-L13 WeakPolarHBondContact ND2-CB 3.45Å; N9-L13 PolarHBondContact ND2-N 3.49Å; N9-L13 VanDerWaalsContact ND2-N 3.14Å; N9-L13 PolarHBondContact ND2-O 3.45Å
10I41.2Very low35Very low172 Ų172114.1 Ų114.188%0.88264%0.643SS**THydrogen-bonded Turntrans-61.1-19.1-177.4-64.6171.1000112.2R8R8-I10 PolarHBondContact O-N 2.85Å
11K44.2Very low35Very low138 Ų138114.8 Ų114.860%0.664%0.641SS**THydrogen-bonded Turntrans-111.44.4-179.3-66.9-170.7178.2-1770115.2N9 L13 D349N9-K11 PolarHBondContact O-N 3.31Å; N9-K11 VanDerWaalsContact O-N 3.11Å; N9-K11 PolarHBondContact OD1-N 3.35Å; K11-L13 HydrophobicContact CB-CD1 4.37Å; K11-L13 PolarHBondContact O-N 3.29Å; K11-D349 IonicContact NZ-OD1 3.77Å; K11-D349 IonicContact NZ-OD2 2.77Å; K11-D349 PolarHBondContact NZ-OD2 2.98Å
12G37.9Very low35.2Very low56 Ų56108.1 Ų108.158%0.57761%0.61SS**  trans65.417.9178.600000115.4N9 T14N9-G12 PolarHBondContact O-N 2.86Å; G12-T14 VanDerWaalsContact C-N 3.33Å; G12-T14 PolarHBondContact O-N 3.11Å
13L34.7Very low35.5Very low72 Ų72107.2 Ų107.238%0.37761%0.61SS.*  trans-70.992.9169.8-58.5150.3000108.4N9 K11N9-L13 WeakPolarHBondContact ND2-CA 3.36Å; N9-L13 VanDerWaalsContact ND2-CB 3.26Å; N9-L13 WeakPolarHBondContact ND2-CB 3.45Å; N9-L13 PolarHBondContact ND2-N 3.49Å; N9-L13 VanDerWaalsContact ND2-N 3.14Å; N9-L13 PolarHBondContact ND2-O 3.45Å; K11-L13 HydrophobicContact CB-CD1 4.37Å; K11-L13 PolarHBondContact O-N 3.29Å
14T36.8Very low35.6Very low128 Ų128110 Ų11079%0.78561%0.61SS**PPolyproline II helixtrans-85122.1162.828.40000108.3G12 P16G12-T14 VanDerWaalsContact C-N 3.33Å; G12-T14 PolarHBondContact O-N 3.11Å; T14-P16 WeakPolarHBondContact O-CD 3.13Å
15L35.1Very low35.8Very low84 Ų84104.9 Ų104.944%0.4459%0.593SS.*PPolyproline II helixtrans-60.5119.5174.7-68.3160.8000108.6R238 F345 L348L15-R238 VanDerWaalsContact CD2-NH1 3.35Å; L15-F345 HydrophobicContact CD1-CE1 4.25Å; L15-L348 HydrophobicContact CD2-CD1 4.09Å
16P36.9Very low35.9Very low47 Ų47110.8 Ų110.831%0.30560%0.602SS.*PPolyproline II helixtrans-63.5148.5173.825.5-31.6000109.4T14 T18T14-P16 WeakPolarHBondContact O-CD 3.13Å; P16-T18 PolarHBondContact O-N 2.86Å
17P38.2Very low36.1Very low88 Ų88109.3 Ų109.357%0.57160%0.598SS**PPolyproline II helixtrans-52.4141.9169.7-1727.1000109.2V19 T20P17-V19 PolarHBondContact O-N 3.36Å; P17-T20 HydrophobicContact CB-CG2 4.34Å; P17-T20 HydrophobicContact CG-CG2 3.99Å
18T46.5Very low36.1Very low29 Ų29111.1 Ų111.118%0.17860%0.596CS.*SBendtrans-63.9-11.5-172.1-22.90000114P16 A231P16-T18 PolarHBondContact O-N 2.86Å; T18-A231 HydrophobicContact CG2-CB 3.25Å; T18-A231 WeakPolarHBondContact OG1-CB 3.43Å
19V38.6Very low36.4Very low26 Ų26107.7 Ų107.716%0.15859%0.594CS.*  trans-149.2112.1167.9-168.50000107P17 E21 I227 N228P17-V19 PolarHBondContact O-N 3.36Å; V19-E21 HydrophobicContact CG1-CB 4.46Å; V19-E21 HydrophobicContact CG1-CG 3.79Å; V19-I227 HydrophobicContact CG2-CG2 3.98Å; V19-N228 WeakPolarHBondContact CB-OD1 3.48Å; V19-N228 WeakPolarHBondContact CG2-OD1 3.38Å
20T33.9Very low35.8Very low84 Ų84108.7 Ų108.752%0.51561%0.605SS.*  trans-90.992.7155.447.70000106.5P17 D22P17-T20 HydrophobicContact CB-CG2 4.34Å; P17-T20 HydrophobicContact CG-CG2 3.99Å; T20-D22 PolarHBondContact O-N 2.83Å
21E35.7Very low35.3Very low129 Ų129104.9 Ų104.960%0.60359%0.591SS**  trans-73.1105.5162.5-92.2167.8-157.900106.6V19 S23V19-E21 HydrophobicContact CG1-CB 4.46Å; V19-E21 HydrophobicContact CG1-CG 3.79Å; E21-S23 PolarHBondContact O-N 2.99Å; E21-S23 VanDerWaalsContact O-N 3.12Å
22D35.2Very low35.1Very low107 Ų107104.5 Ų104.557%0.57260%0.595SS**  trans-65.3109.9163.8-91.1-23.4000107.7T20 N24 A25T20-D22 PolarHBondContact O-N 2.83Å; D22-N24 PolarHBondContact O-N 2.85Å; D22-A25 PolarHBondContact O-N 3.46Å
23S33.4Very low34.9Very low124 Ų124107 Ų10787%0.86760%0.599SS**THydrogen-bonded Turntrans-62.616.8167.919.40000113.8E21E21-S23 PolarHBondContact O-N 2.99Å; E21-S23 VanDerWaalsContact O-N 3.12Å
24N29.8Very low35Very low158 Ų158108.5 Ų108.585%0.84560%0.604SS**THydrogen-bonded Turntrans-128.12.8-178.1-90.7-17.9000114.9D22 Q26D22-N24 PolarHBondContact O-N 2.85Å; N24-Q26 PolarHBondContact O-N 3.44Å
25A33.7Very low35.2Very low65 Ų65106.1 Ų106.154%0.53759%0.589SS.*  trans-85.7100.1157.900000107.8D22 E27D22-A25 PolarHBondContact O-N 3.46Å; A25-E27 PolarHBondContact O-N 2.89Å
26Q30.1Very low35.2Very low195 Ų195110.3 Ų110.391%0.91161%0.607SS**  trans-63.960.8153.6-74.6179.6-39.400108.9N24 Q28N24-Q26 PolarHBondContact O-N 3.44Å; Q26-Q28 PolarHBondContact O-N 2.86Å
27E33Very low35.2Very low158 Ų158115.2 Ų115.274%0.73862%0.623SS**  trans-71109.5151-82.9-171.9159.700104.7A25 N29A25-E27 PolarHBondContact O-N 2.89Å; E27-N29 PolarHBondContact O-N 3.25Å
28Q30.8Very low35.2Very low185 Ų185114.6 Ų114.686%0.86462%0.615SS**  trans-56.190.7172.2-66174.11.400107.7Q26Q26-Q28 PolarHBondContact O-N 2.86Å
29N35.3Very low34.6Very low146 Ų146120.1 Ų120.178%0.78164%0.643SS**PPolyproline II helixtrans-49.1125.1148.9-85.1-35000104.9E27E27-N29 PolarHBondContact O-N 3.25Å
30P31.8Very low34.6Very low91 Ų91123 Ų12359%0.59166%0.664SS**PPolyproline II helixtrans-53.3136.4179.222.7-31.1000107I32P30-I32 PolarHBondContact O-N 3.12Å
31P30.1Very low34.9Very low92 Ų92124.5 Ų124.560%0.59768%0.675SS**PPolyproline II helixtrans-53.4140176.622.6-30.5000107.6T33P31-T33 WeakPolarHBondContact CB-OG1 3.42Å; P31-T33 WeakPolarHBondContact CG-OG1 3.49Å; P31-T33 PolarHBondContact O-N 3.09Å; P31-T33 PolarHBondContact O-OG1 3.28Å
32I40.1Very low35.7Very low131 Ų131121.8 Ų121.867%0.67266%0.662SS**G310 helixtrans-62.316-180-61.1167000111.7P30 E34 T35P30-I32 PolarHBondContact O-N 3.12Å; I32-E34 VanDerWaalsContact C-N 3.34Å; I32-T35 WeakPolarHBondContact CG2-OG1 3.15Å; I32-T35 PolarHBondContact O-OG1 3.28Å
33T34.1Very low36.7Very low109 Ų109120.3 Ų120.367%0.66965%0.654SS**G310 helixtrans-80.8-0.9172.346.10000114.3P31P31-T33 WeakPolarHBondContact CB-OG1 3.42Å; P31-T33 WeakPolarHBondContact CG-OG1 3.49Å; P31-T33 PolarHBondContact O-N 3.09Å; P31-T33 PolarHBondContact O-OG1 3.28Å
34E36.3Very low37.9Very low102 Ų102115.8 Ų115.848%0.47762%0.619SS.*G310 helixtrans-97.4-1.7170.2-69.9-152.5130.300114.7I32 E36 K37I32-E34 VanDerWaalsContact C-N 3.34Å; E34-E36 PolarHBondContact O-N 2.84Å; E34-K37 PolarHBondContact O-N 3.48Å; E34-K37 VanDerWaalsContact O-N 3.1Å; E34-K37 IonicContact OE1-NZ 2.74Å; E34-K37 PolarHBondContact OE1-NZ 3.46Å
35T40Very low39.2Very low79 Ų79112.8 Ų112.849%0.48560%0.601SS.*THydrogen-bonded Turntrans-62.1-15.1173.8-10.60000113.6I32 L38I32-T35 WeakPolarHBondContact CG2-OG1 3.15Å; I32-T35 PolarHBondContact O-OG1 3.28Å; T35-L38 HydrophobicContact CG2-CD1 4.47Å
36E35.2Very low40.6Very low172 Ų172115.5 Ų115.580%0.80460%0.602SS**THydrogen-bonded Turntrans-87.6-18.4176.8-69.2-175.4162.200114E34 L38E34-E36 PolarHBondContact O-N 2.84Å; E36-L38 VanDerWaalsContact C-N 3.3Å
37K36.7Very low41.9Very low150 Ų150109.4 Ų109.465%0.65257%0.573SS**G310 helixtrans-77.2-17.7171.8-75.5-178.4-173.31630113.1E34 N39 S40E34-K37 PolarHBondContact O-N 3.48Å; E34-K37 VanDerWaalsContact O-N 3.1Å; E34-K37 IonicContact OE1-NZ 2.74Å; E34-K37 PolarHBondContact OE1-NZ 3.46Å; K37-N39 PolarHBondContact O-N 3.08Å; K37-S40 PolarHBondContact O-N 3.27Å
38L39.7Very low43.3Very low75 Ų75102.1 Ų102.139%0.39354%0.54SS..G310 helixtrans-77-2.9-178.5-76.1144000113.8T35 E36 Y131T35-L38 HydrophobicContact CG2-CD1 4.47Å; E36-L38 VanDerWaalsContact C-N 3.3Å; L38-Y131 HydrophobicContact CB-CE1 4.49Å; L38-Y131 HydrophobicContact CD2-CD1 3.59Å; L38-Y131 HydrophobicContact CD2-CD2 4.16Å; L38-Y131 HydrophobicContact CD2-CE1 3.23Å; L38-Y131 HydrophobicContact CD2-CE2 3.84Å; L38-Y131 HydrophobicContact CD2-CG 4.05Å; L38-Y131 HydrophobicContact CG-CE1 4.42Å
39N34Very low44.6Very low145 Ų145100.2 Ų100.278%0.77553%0.531SS*.G310 helixtrans-94.76.4173.8-79-14.2000114K37K37-N39 PolarHBondContact O-N 3.08Å
40S37.2Very low45.6Very low85 Ų8599.9 Ų99.959%0.59452%0.524SS*.SBendtrans-65.6139.3168.7179.20000109.5K37 F42K37-S40 PolarHBondContact O-N 3.27Å; S40-F42 PolarHBondContact O-N 3.28Å
41P40.9Very low46.9Very low116 Ų11697.3 Ų97.375%0.75351%0.506SS*.  trans-53.6121.7173.422.7-31.6000108.4N43P41-N43 PolarHBondContact O-N 2.91Å
42F52.4Low48.8Very low73 Ų7399.6 Ų99.632%0.3252%0.522SS..  trans-54.4103.2-174.2-171.6-95.5000109.9S40 I44 E47 F65S40-F42 PolarHBondContact O-N 3.28Å; F42-I44 HydrophobicContact CD1-CG1 3.55Å; F42-I44 HydrophobicContact CE1-CG1 3.72Å; F42-I44 PolarHBondContact O-N 3.43Å; F42-I44 VanDerWaalsContact O-N 3.14Å; F42-E47 WeakPolarHBondContact CE2-OE1 3.49Å; F42-E47 WeakPolarHBondContact CZ-OE2 3.41Å; F42-F65 HydrophobicContact CD1-CD1 4.42Å; F42-F65 AromaticContact CE1-CD1 3.41Å; F42-F65 HydrophobicContact CE1-CD1 3.41Å; F42-F65 VanDerWaalsContact CE1-CD1 3.41Å; F42-F65 HydrophobicContact CE1-CD2 4.49Å; F42-F65 AromaticContact CE1-CE1 3.28Å; F42-F65 HydrophobicContact CE1-CE1 3.28Å; F42-F65 HydrophobicContact CE1-CE2 4.37Å; F42-F65 HydrophobicContact CE1-CG 4.04Å; F42-F65 AromaticContact CE1-CZ 3.78Å; F42-F65 HydrophobicContact CE1-CZ 3.78Å; F42-F65 AromaticContact CZ-CD1 3.84Å; F42-F65 HydrophobicContact CZ-CD1 3.84Å; F42-F65 AromaticContact CZ-CE1 3.25Å; F42-F65 HydrophobicContact CZ-CE1 3.25Å; F42-F65 AromaticContact CZ-CZ 3.76Å; F42-F65 HydrophobicContact CZ-CZ 3.76Å
43N57.4Low50.5Low75 Ų7594.2 Ų94.240%0.40149%0.494SS..  trans-84.989.2178.4-169.4-13.8000109.1P41 E45 Q46 E47P41-N43 PolarHBondContact O-N 2.91Å; N43-E45 PolarHBondContact O-N 3.38Å; N43-E45 PolarHBondContact OD1-N 3.24Å; N43-Q46 HydrophobicContact CB-CB 4.25Å; N43-Q46 HydrophobicContact CB-CG 4.29Å; N43-Q46 VanDerWaalsContact ND2-CD 3.34Å; N43-Q46 PolarHBondContact O-N 2.98Å; N43-E47 PolarHBondContact O-N 2.89Å
44I56.8Low52.9Low29 Ų2992.8 Ų92.815%0.14949%0.486CS..Hα-helixtrans-48.6-43-178.9-65167.8000111.3F42 Q46 E47 L48 Q62 F65F42-I44 HydrophobicContact CD1-CG1 3.55Å; F42-I44 HydrophobicContact CE1-CG1 3.72Å; F42-I44 PolarHBondContact O-N 3.43Å; F42-I44 VanDerWaalsContact O-N 3.14Å; I44-Q46 PolarHBondContact O-N 3.48Å; I44-E47 PolarHBondContact O-N 3.25Å; I44-L48 HydrophobicContact CG2-CD1 3.66Å; I44-L48 HydrophobicContact CG2-CG 4.4Å; I44-L48 VanDerWaalsContact O-CG 3.26Å; I44-L48 WeakPolarHBondContact O-CG 3.44Å; I44-L48 PolarHBondContact O-N 3.39Å; I44-L48 VanDerWaalsContact O-N 3.16Å; I44-Q62 HydrophobicContact CG2-CG 4.48Å; I44-F65 HydrophobicContact CB-CD2 4.4Å; I44-F65 HydrophobicContact CD1-CB 3.79Å; I44-F65 HydrophobicContact CD1-CG 4.36Å; I44-F65 HydrophobicContact CG1-CB 4.13Å; I44-F65 HydrophobicContact CG1-CD2 4.24Å; I44-F65 HydrophobicContact CG1-CG 4.15Å; I44-F65 HydrophobicContact CG2-CD2 3.49Å; I44-F65 VanDerWaalsContact CG2-CD2 3.49Å; I44-F65 HydrophobicContact CG2-CE2 3.96Å; I44-F65 HydrophobicContact CG2-CG 4.22Å
45E57.6Low55.2Low96 Ų9693.4 Ų93.445%0.44949%0.492SS..Hα-helixtrans-63.4-39.3-179.6-102.464.2-137.700112.7N43 L48 E49 Q62N43-E45 PolarHBondContact O-N 3.38Å; N43-E45 PolarHBondContact OD1-N 3.24Å; E45-L48 PolarHBondContact O-N 3.38Å; E45-E49 WeakPolarHBondContact O-CG 3.43Å; E45-E49 PolarHBondContact O-N 3.33Å; E45-Q62 PolarHBondContact OE1-NE2 3.39Å
46Q63Low57.4Low122 Ų12293.6 Ų93.657%0.5749%0.493SS*.Hα-helixtrans-69.9-35.2-179.2-76.3179.4-19.800112.9N43 I44N43-Q46 HydrophobicContact CB-CB 4.25Å; N43-Q46 HydrophobicContact CB-CG 4.29Å; N43-Q46 VanDerWaalsContact ND2-CD 3.34Å; N43-Q46 PolarHBondContact O-N 2.98Å; I44-Q46 PolarHBondContact O-N 3.48Å
47E58.4Low60Low66 Ų6686.9 Ų86.931%0.30846%0.462SS..Hα-helixtrans-68.4-37.2172.9-90.7-167.6-174.400111.7F42 N43 I44 N133F42-E47 WeakPolarHBondContact CE2-OE1 3.49Å; F42-E47 WeakPolarHBondContact CZ-OE2 3.41Å; N43-E47 PolarHBondContact O-N 2.89Å; I44-E47 PolarHBondContact O-N 3.25Å; E47-N133 PolarHBondContact OE2-ND2 3.16Å
48L60.8Low62.5Low5 Ų584 Ų843%0.02645%0.447CS..Hα-helixtrans-76.9-26.5-178.3-67.8174.4000113.9I44 E45 Q50 L53 R58 M61 Q62 F65I44-L48 HydrophobicContact CG2-CD1 3.66Å; I44-L48 HydrophobicContact CG2-CG 4.4Å; I44-L48 VanDerWaalsContact O-CG 3.26Å; I44-L48 WeakPolarHBondContact O-CG 3.44Å; I44-L48 PolarHBondContact O-N 3.39Å; I44-L48 VanDerWaalsContact O-N 3.16Å; E45-L48 PolarHBondContact O-N 3.38Å; L48-Q50 VanDerWaalsContact C-N 3.33Å; L48-L53 HydrophobicContact CB-CD1 4.49Å; L48-L53 HydrophobicContact CD2-CD1 3.51Å; L48-R58 HydrophobicContact CD1-CG 4.26Å; L48-M61 HydrophobicContact CD2-CB 3.5Å; L48-M61 HydrophobicContact CD2-CG 4.07Å; L48-Q62 HydrophobicContact CD1-CG 3.68Å; L48-F65 HydrophobicContact CD1-CE2 4.39Å; L48-F65 HydrophobicContact CD2-CE2 4.14Å; L48-F65 HydrophobicContact CG-CE2 4.26Å
49E58.9Low64.9Low145 Ų14587.6 Ų87.668%0.67846%0.459SS*.Hα-helixtrans-70.2-27.8177-83.7-178.817000113.1E45 I51E45-E49 WeakPolarHBondContact O-CG 3.43Å; E45-E49 PolarHBondContact O-N 3.33Å; E49-I51 VanDerWaalsContact C-N 3.27Å; E49-I51 PolarHBondContact O-N 3.46Å
50Q56.3Low67.6Low139 Ų13984.2 Ų84.265%0.6544%0.435SS*.THydrogen-bonded Turntrans-79.1-9.4-178-69.2-170.216.500114.4L48L48-Q50 VanDerWaalsContact C-N 3.33Å
51I58.9Low70.2Confident38 Ų3880.5 Ų80.520%0.19541%0.409CS..SBendtrans-112.7126.3-178.8-52.1175.3000106.7E49 L53 Y190E49-I51 VanDerWaalsContact C-N 3.27Å; E49-I51 PolarHBondContact O-N 3.46Å; I51-L53 HydrophobicContact CB-CD1 4.25Å; I51-L53 HydrophobicContact CB-CD2 4.11Å; I51-L53 HydrophobicContact CB-CG 3.81Å; I51-L53 HydrophobicContact CG2-CD1 4.48Å; I51-L53 HydrophobicContact CG2-CD2 3.44Å; I51-L53 VanDerWaalsContact CG2-CD2 3.44Å; I51-L53 HydrophobicContact CG2-CG 3.68Å; I51-L53 PolarHBondContact O-N 3.2Å; I51-Y190 HydrophobicContact CD1-CE2 4.19Å
52C69.5Low72.5Confident140 Ų14077.8 Ų77.895%0.94639%0.386SS*.  trans-68.468.3174.6-67.30000110.7
53L77.4Confident74.4Confident17 Ų1778.6 Ų78.69%0.08939%0.391CS..  trans-82.1140.7-179.4-62.3175.5000109.9L48 I51 Q57 R58 M61 P135L48-L53 HydrophobicContact CB-CD1 4.49Å; L48-L53 HydrophobicContact CD2-CD1 3.51Å; I51-L53 HydrophobicContact CB-CD1 4.25Å; I51-L53 HydrophobicContact CB-CD2 4.11Å; I51-L53 HydrophobicContact CB-CG 3.81Å; I51-L53 HydrophobicContact CG2-CD1 4.48Å; I51-L53 HydrophobicContact CG2-CD2 3.44Å; I51-L53 VanDerWaalsContact CG2-CD2 3.44Å; I51-L53 HydrophobicContact CG2-CG 3.68Å; I51-L53 PolarHBondContact O-N 3.2Å; L53-Q57 HydrophobicContact CB-CB 4.1Å; L53-Q57 HydrophobicContact CD2-CB 4Å; L53-R58 HydrophobicContact CB-CB 4.44Å; L53-M61 HydrophobicContact CD1-CG 4.43Å; L53-P135 HydrophobicContact CD2-CB 4.31Å; L53-P135 HydrophobicContact CD2-CG 3.45Å; L53-P135 VanDerWaalsContact CD2-CG 3.45Å
54T83.7Confident76.1Confident79 Ų7975.8 Ų75.849%0.48538%0.375SS..  trans-64.7157.2161.761.50000110.2V56 Q57 R58T54-V56 PolarHBondContact O-N 3.49Å; T54-V56 VanDerWaalsContact O-N 3.17Å; T54-Q57 PolarHBondContact O-N 2.93Å; T54-Q57 WeakPolarHBondContact OG1-CB 3.48Å; T54-Q57 VanDerWaalsContact OG1-CG 3.26Å; T54-Q57 WeakPolarHBondContact OG1-CG 3.46Å; T54-Q57 PolarHBondContact OG1-N 3.03Å; T54-Q57 PolarHBondContact OG1-OE1 3.34Å; T54-R58 PolarHBondContact O-N 3.28Å
55D84.3Confident77.7Confident116 Ų11674.6 Ų74.662%0.6237%0.369SS*.Hα-helixtrans-56.4-34.6176.8-68-37.7000112.6R58 K59D55-R58 PolarHBondContact O-N 3.01Å; D55-K59 WeakPolarHBondContact O-CG 3.17Å; D55-K59 PolarHBondContact O-N 3.17Å
56V86.9Confident79.3Confident82 Ų8273.8 Ų73.850%0.49737%0.366SS..Hα-helixtrans-65.7-46.5176.1178.90000110.7T54 K59 R60T54-V56 PolarHBondContact O-N 3.49Å; T54-V56 VanDerWaalsContact O-N 3.17Å; V56-K59 PolarHBondContact O-N 3.02Å; V56-R60 WeakPolarHBondContact O-CG 3.41Å; V56-R60 PolarHBondContact O-N 3.4Å; V56-R60 VanDerWaalsContact O-N 3.08Å
57Q89.9Confident80.7Confident31 Ų3170.8 Ų70.815%0.14535%0.352CS..Hα-helixtrans-64.4-41.6176.7-73167.9-4300111.5L53 T54 K59 R60 M61 P135 Y136L53-Q57 HydrophobicContact CB-CB 4.1Å; L53-Q57 HydrophobicContact CD2-CB 4Å; T54-Q57 PolarHBondContact O-N 2.93Å; T54-Q57 WeakPolarHBondContact OG1-CB 3.48Å; T54-Q57 VanDerWaalsContact OG1-CG 3.26Å; T54-Q57 WeakPolarHBondContact OG1-CG 3.46Å; T54-Q57 PolarHBondContact OG1-N 3.03Å; T54-Q57 PolarHBondContact OG1-OE1 3.34Å; Q57-K59 PolarHBondContact O-N 3.02Å; Q57-R60 PolarHBondContact O-N 3.12Å; Q57-M61 WeakPolarHBondContact O-CG 3.32Å; Q57-M61 PolarHBondContact O-N 3.2Å; Q57-P135 HydrophobicContact CB-CB 4.29Å; Q57-P135 HydrophobicContact CG-CB 4.06Å; Q57-Y136 PolarHBondContact NE2-OH 3.48Å
58R87.8Confident82.3Confident91 Ų9168.9 Ų68.934%0.34334%0.343SS..Hα-helixtrans-58.7-48.4176.9-175.7-179.6-75.1158.4-7111.4L48 L53 T54 D55 R60 M61 Q62L48-R58 HydrophobicContact CD1-CG 4.26Å; L53-R58 HydrophobicContact CB-CB 4.44Å; T54-R58 PolarHBondContact O-N 3.28Å; D55-R58 PolarHBondContact O-N 3.01Å; R58-R60 VanDerWaalsContact C-N 3.35Å; R58-R60 PolarHBondContact O-N 3.02Å; R58-M61 PolarHBondContact O-N 3.26Å; R58-Q62 WeakPolarHBondContact O-CG 3.23Å; R58-Q62 PolarHBondContact O-N 3.03Å
59K90.4Very high83.7Confident149 Ų14974.8 Ų74.865%0.64837%0.371SS*.Hα-helixtrans-59.9-42.6177-75.5177-179.5179.30112.6D55 V56 Q57 Q62 Q63D55-K59 WeakPolarHBondContact O-CG 3.17Å; D55-K59 PolarHBondContact O-N 3.17Å; V56-K59 PolarHBondContact O-N 3.02Å; Q57-K59 PolarHBondContact O-N 3.02Å; K59-Q62 PolarHBondContact O-N 2.96Å; K59-Q63 PolarHBondContact O-N 3.46Å
60R91.2Very high85.3Confident74 Ų7473.8 Ų73.828%0.27936%0.364SS..Hα-helixtrans-64-43.5177.2-72.8176.3-177.4176.9-2.2111.9V56 Q57 R58 Q63 W64 Q212V56-R60 WeakPolarHBondContact O-CG 3.41Å; V56-R60 PolarHBondContact O-N 3.4Å; V56-R60 VanDerWaalsContact O-N 3.08Å; Q57-R60 PolarHBondContact O-N 3.12Å; R58-R60 VanDerWaalsContact C-N 3.35Å; R58-R60 PolarHBondContact O-N 3.02Å; R60-Q63 WeakPolarHBondContact O-CB 3.42Å; R60-Q63 PolarHBondContact O-N 3.14Å; R60-W64 PolarHBondContact O-N 3.38Å; R60-Q212 PolarHBondContact NH1-O 3.24Å; R60-Q212 PolarHBondContact NH2-O 2.57Å
61M91Very high87Confident7 Ų767.7 Ų67.73%0.03434%0.336CS..Hα-helixtrans-65.2-39.8176.8-69.6-62.4-61.500112.1L48 L53 Q57 R58 Q63 W64 F65 N133L48-M61 HydrophobicContact CD2-CB 3.5Å; L48-M61 HydrophobicContact CD2-CG 4.07Å; L53-M61 HydrophobicContact CD1-CG 4.43Å; Q57-M61 WeakPolarHBondContact O-CG 3.32Å; Q57-M61 PolarHBondContact O-N 3.2Å; R58-M61 PolarHBondContact O-N 3.26Å; M61-Q63 VanDerWaalsContact C-N 3.34Å; M61-Q63 PolarHBondContact O-N 3.39Å; M61-W64 WeakPolarHBondContact O-CB 3.36Å; M61-W64 PolarHBondContact O-N 3.41Å; M61-F65 HydrophobicContact CB-CE2 4.34Å; M61-F65 HydrophobicContact CE-CE2 4.16Å; M61-F65 HydrophobicContact CE-CZ 4.05Å; M61-F65 WeakPolarHBondContact O-CD2 3.35Å; M61-F65 WeakPolarHBondContact O-CG 3.46Å; M61-F65 PolarHBondContact O-N 3.49Å; M61-N133 HydrophobicContact CE-CB 3.79Å
62Q90.3Very high88.4Confident59 Ų5968.7 Ų68.728%0.27636%0.355SS..Hα-helixtrans-58.9-45.2172.9-75173.5-26.400111.5I44 E45 L48 R58 K59 W64 F65 I66I44-Q62 HydrophobicContact CG2-CG 4.48Å; E45-Q62 PolarHBondContact OE1-NE2 3.39Å; L48-Q62 HydrophobicContact CD1-CG 3.68Å; R58-Q62 WeakPolarHBondContact O-CG 3.23Å; R58-Q62 PolarHBondContact O-N 3.03Å; K59-Q62 PolarHBondContact O-N 2.96Å; Q62-W64 PolarHBondContact O-N 2.91Å; Q62-F65 PolarHBondContact O-N 2.77Å; Q62-I66 WeakPolarHBondContact O-CG1 3.35Å; Q62-I66 PolarHBondContact O-N 3.31Å; Q62-I66 VanDerWaalsContact O-N 3.12Å
63Q91.8Very high89.3Confident91 Ų9170.8 Ų70.843%0.42535%0.351SS..Hα-helixtrans-60.8-44175.5-177.260.93000111.9K59 R60 M61 F65 I66 E67K59-Q63 PolarHBondContact O-N 3.46Å; R60-Q63 WeakPolarHBondContact O-CB 3.42Å; R60-Q63 PolarHBondContact O-N 3.14Å; M61-Q63 VanDerWaalsContact C-N 3.34Å; M61-Q63 PolarHBondContact O-N 3.39Å; Q63-F65 VanDerWaalsContact C-N 3.31Å; Q63-F65 PolarHBondContact O-N 3.27Å; Q63-I66 PolarHBondContact O-N 3.32Å; Q63-E67 PolarHBondContact NE2-OE1 3.36Å; Q63-E67 PolarHBondContact O-N 3.45Å
64W92.4Very high89.9Confident15 Ų1570.9 Ų70.96%0.05735%0.351CS..Hα-helixtrans-54.9-44.9174.8166.2-104.9000112.2R60 M61 Q62 E67 K68 F140 Y141 E155R60-W64 PolarHBondContact O-N 3.38Å; M61-W64 WeakPolarHBondContact O-CB 3.36Å; M61-W64 PolarHBondContact O-N 3.41Å; Q62-W64 PolarHBondContact O-N 2.91Å; W64-E67 PolarHBondContact O-N 3.39Å; W64-K68 HydrophobicContact CZ2-CD 4.04Å; W64-K68 WeakPolarHBondContact O-CB 3.42Å; W64-K68 PolarHBondContact O-N 3.35Å; W64-F140 VanDerWaalsContact CZ2-N 3.31Å; W64-Y141 HydrophobicContact CE3-CE1 4.49Å; W64-Y141 AromaticContact CH2-CD1 3.9Å; W64-Y141 HydrophobicContact CH2-CD1 3.9Å; W64-Y141 AromaticContact CH2-CD2 3.98Å; W64-Y141 HydrophobicContact CH2-CD2 3.98Å; W64-Y141 AromaticContact CH2-CE1 3.65Å; W64-Y141 HydrophobicContact CH2-CE1 3.65Å; W64-Y141 AromaticContact CH2-CE2 3.75Å; W64-Y141 HydrophobicContact CH2-CE2 3.75Å; W64-Y141 HydrophobicContact CH2-CG 4.05Å; W64-Y141 AromaticContact CH2-CZ 3.58Å; W64-Y141 HydrophobicContact CZ2-CE1 4.47Å; W64-Y141 HydrophobicContact CZ3-CD1 4.38Å; W64-Y141 HydrophobicContact CZ3-CD2 4.38Å; W64-Y141 AromaticContact CZ3-CE1 3.67Å; W64-Y141 HydrophobicContact CZ3-CE1 3.67Å; W64-Y141 AromaticContact CZ3-CE2 3.67Å; W64-Y141 HydrophobicContact CZ3-CE2 3.67Å; W64-Y141 AromaticContact CZ3-CZ 3.27Å; W64-Y141 VanDerWaalsContact CZ3-OH 3.32Å; W64-Y141 WeakPolarHBondContact CZ3-OH 3.42Å; W64-E155 HydrophobicContact CE3-CB 4.21Å; W64-E155 HydrophobicContact CH2-CB 3.93Å; W64-E155 HydrophobicContact CZ3-CB 3.42Å; W64-E155 VanDerWaalsContact CZ3-CB 3.42Å
65F90.9Very high90.1Very high5 Ų570.7 Ų70.72%0.02235%0.348CS..Hα-helixtrans-65.9-40.8178.8-69.2-57.2000113.2F42 I44 L48 M61 Q62 Q63 E67 K68 Q69 N133F42-F65 HydrophobicContact CD1-CD1 4.42Å; F42-F65 AromaticContact CE1-CD1 3.41Å; F42-F65 HydrophobicContact CE1-CD1 3.41Å; F42-F65 VanDerWaalsContact CE1-CD1 3.41Å; F42-F65 HydrophobicContact CE1-CD2 4.49Å; F42-F65 AromaticContact CE1-CE1 3.28Å; F42-F65 HydrophobicContact CE1-CE1 3.28Å; F42-F65 HydrophobicContact CE1-CE2 4.37Å; F42-F65 HydrophobicContact CE1-CG 4.04Å; F42-F65 AromaticContact CE1-CZ 3.78Å; F42-F65 HydrophobicContact CE1-CZ 3.78Å; F42-F65 AromaticContact CZ-CD1 3.84Å; F42-F65 HydrophobicContact CZ-CD1 3.84Å; F42-F65 AromaticContact CZ-CE1 3.25Å; F42-F65 HydrophobicContact CZ-CE1 3.25Å; F42-F65 AromaticContact CZ-CZ 3.76Å; F42-F65 HydrophobicContact CZ-CZ 3.76Å; I44-F65 HydrophobicContact CB-CD2 4.4Å; I44-F65 HydrophobicContact CD1-CB 3.79Å; I44-F65 HydrophobicContact CD1-CG 4.36Å; I44-F65 HydrophobicContact CG1-CB 4.13Å; I44-F65 HydrophobicContact CG1-CD2 4.24Å; I44-F65 HydrophobicContact CG1-CG 4.15Å; I44-F65 HydrophobicContact CG2-CD2 3.49Å; I44-F65 VanDerWaalsContact CG2-CD2 3.49Å; I44-F65 HydrophobicContact CG2-CE2 3.96Å; I44-F65 HydrophobicContact CG2-CG 4.22Å; L48-F65 HydrophobicContact CD1-CE2 4.39Å; L48-F65 HydrophobicContact CD2-CE2 4.14Å; L48-F65 HydrophobicContact CG-CE2 4.26Å; M61-F65 HydrophobicContact CB-CE2 4.34Å; M61-F65 HydrophobicContact CE-CE2 4.16Å; M61-F65 HydrophobicContact CE-CZ 4.05Å; M61-F65 WeakPolarHBondContact O-CD2 3.35Å; M61-F65 WeakPolarHBondContact O-CG 3.46Å; M61-F65 PolarHBondContact O-N 3.49Å; Q62-F65 PolarHBondContact O-N 2.77Å; Q63-F65 VanDerWaalsContact C-N 3.31Å; Q63-F65 PolarHBondContact O-N 3.27Å; F65-E67 VanDerWaalsContact C-N 3.31Å; F65-E67 PolarHBondContact O-N 3.49Å; F65-K68 PolarHBondContact O-N 3.34Å; F65-Q69 WeakPolarHBondContact O-CG 3.5Å; F65-Q69 PolarHBondContact O-N 3.47Å; F65-N133 HydrophobicContact CE1-CB 3.99Å; F65-N133 VanDerWaalsContact CE1-CG 3.45Å; F65-N133 HydrophobicContact CZ-CB 3.69Å
66I91.6Very high90.2Very high78 Ų7865.7 Ų65.740%0.432%0.324SS..Hα-helixtrans-61.1-43175.6-67.6166.3000110.5Q62 Q63 K70Q62-I66 WeakPolarHBondContact O-CG1 3.35Å; Q62-I66 PolarHBondContact O-N 3.31Å; Q62-I66 VanDerWaalsContact O-N 3.12Å; Q63-I66 PolarHBondContact O-N 3.32Å; I66-K70 WeakPolarHBondContact O-CG 3.32Å
67E92.6Very high90.5Very high59 Ų5967.7 Ų67.728%0.27633%0.331SS..Hα-helixtrans-66.3-45.7177.9-75.9178.3-167.900112Q63 W64 F65 Q69 K70 I103Q63-E67 PolarHBondContact NE2-OE1 3.36Å; Q63-E67 PolarHBondContact O-N 3.45Å; W64-E67 PolarHBondContact O-N 3.39Å; F65-E67 VanDerWaalsContact C-N 3.31Å; F65-E67 PolarHBondContact O-N 3.49Å; E67-Q69 VanDerWaalsContact C-N 3.32Å; E67-Q69 PolarHBondContact O-N 2.96Å; E67-K70 WeakPolarHBondContact O-CB 2.94Å; E67-K70 PolarHBondContact O-N 3.26Å; E67-K70 VanDerWaalsContact O-N 3.11Å; E67-I103 HydrophobicContact CB-CD1 3.77Å; E67-I103 HydrophobicContact CG-CD1 4.13Å; E67-I103 VanDerWaalsContact O-CD1 3.23Å; E67-I103 WeakPolarHBondContact O-CD1 3.37Å
68K92.1Very high90.7Very high27 Ų2769.4 Ų69.412%0.11734%0.339CS..Hα-helixtrans-59.6-40.6178.4-176.2170.3174.1170.20112.6W64 F65 K70 I71 H130 F140 Y141W64-K68 HydrophobicContact CZ2-CD 4.04Å; W64-K68 WeakPolarHBondContact O-CB 3.42Å; W64-K68 PolarHBondContact O-N 3.35Å; F65-K68 PolarHBondContact O-N 3.34Å; K68-K70 PolarHBondContact O-N 2.94Å; K68-I71 PolarHBondContact O-N 2.95Å; K68-H130 PolarHBondContact NZ-O 3.01Å; K68-F140 VanDerWaalsContact CE-O 3.3Å; K68-F140 WeakPolarHBondContact CE-O 3.37Å; K68-F140 PolarHBondContact NZ-O 2.7Å; K68-F140 VanDerWaalsContact NZ-O 3.07Å; K68-Y141 HydrophobicContact CB-CD1 4.3Å; K68-Y141 HydrophobicContact CB-CE1 4.23Å; K68-Y141 HydrophobicContact CG-CD1 4.27Å
69Q90Very high91.1Very high129 Ų12965.9 Ų65.960%0.60333%0.327SS*.Hα-helixtrans-63-28177.3-76.9-177.7-2.800113.5F65 E67 I71F65-Q69 WeakPolarHBondContact O-CG 3.5Å; F65-Q69 PolarHBondContact O-N 3.47Å; E67-Q69 VanDerWaalsContact C-N 3.32Å; E67-Q69 PolarHBondContact O-N 2.96Å; Q69-I71 PolarHBondContact O-N 3.26Å
70K92.7Very high91.4Very high124 Ų12463 Ų6354%0.53932%0.316SS..THydrogen-bonded Turntrans-72.8-12.9178.7-66.6170.9-175.5176.10113.8I66 E67 K68 I103I66-K70 WeakPolarHBondContact O-CG 3.32Å; E67-K70 WeakPolarHBondContact O-CB 2.94Å; E67-K70 PolarHBondContact O-N 3.26Å; E67-K70 VanDerWaalsContact O-N 3.11Å; K68-K70 PolarHBondContact O-N 2.94Å; K70-I103 HydrophobicContact CB-CD1 4.3Å
71I91.9Very high91.6Very high11 Ų1164.6 Ų64.66%0.05633%0.325CS..THydrogen-bonded Turntrans-81.1-43.4-175.5-56.9-49000111.7K68 Q69 L74 H98 S101 I103 M105 Y141K68-I71 PolarHBondContact O-N 2.95Å; Q69-I71 PolarHBondContact O-N 3.26Å; I71-L74 HydrophobicContact CG2-CD2 3.4Å; I71-L74 HydrophobicContact CG2-CG 3.68Å; I71-H98 HydrophobicContact CD1-CB 4.4Å; I71-S101 WeakPolarHBondContact CD1-OG 3.48Å; I71-I103 HydrophobicContact CD1-CB 4.11Å; I71-I103 HydrophobicContact CD1-CD1 3.59Å; I71-I103 HydrophobicContact CD1-CG1 4.36Å; I71-I103 HydrophobicContact CD1-CG2 4.44Å; I71-I103 HydrophobicContact CG1-CD1 4.4Å; I71-M105 HydrophobicContact CD1-CE 3.21Å; I71-M105 HydrophobicContact CG1-CE 3.69Å; I71-M105 HydrophobicContact CG2-CE 4.15Å; I71-Y141 HydrophobicContact CG1-CD1 3.72Å; I71-Y141 HydrophobicContact CG1-CE1 4Å
72G87.4Confident91.9Very high58 Ų5867.6 Ų67.660%0.59834%0.34SS*.  trans66.3-142.4-171.100000112.1
73E87.9Confident92.1Very high184 Ų18467 Ų6786%0.8634%0.343SS*.SBendtrans-83.8123.4176-171.9169.6-159.200110.3
74L90.3Very high92.1Very high19 Ų1966.9 Ų66.910%0.09934%0.343CS..  trans-73.1129.5-177.5-78.5165.5000112.1I71 L79 M105 F144 C153I71-L74 HydrophobicContact CG2-CD2 3.4Å; I71-L74 HydrophobicContact CG2-CG 3.68Å; L74-L79 HydrophobicContact CD2-CD2 4.35Å; L74-M105 HydrophobicContact CD2-CE 4.38Å; L74-M105 HydrophobicContact CD2-SD 4.33Å; L74-F144 HydrophobicContact CB-CD1 3.83Å; L74-F144 HydrophobicContact CB-CE1 4.16Å; L74-C153 HydrophobicContact CD1-CB 3.61Å
75N87.6Confident92Very high76 Ų7667.9 Ų67.941%0.40635%0.349SS..  trans-116.3136.7168.2-174.7-10.9000111D77 E78N75-D77 PolarHBondContact O-N 2.61Å; N75-D77 PolarHBondContact OD1-N 2.91Å; N75-D77 VanDerWaalsContact OD1-N 3.12Å; N75-E78 HydrophobicContact CB-CG 4.14Å; N75-E78 PolarHBondContact O-N 2.79Å; N75-E78 VanDerWaalsContact O-N 3.09Å
76G88.4Confident91.5Very high11 Ų1169 Ų6911%0.11336%0.361CS..G310 helixtrans-57.2-34.5177.100000113.9E78 L79 F144G76-E78 PolarHBondContact O-N 2.81Å; G76-L79 PolarHBondContact O-N 3.26Å; G76-F144 VanDerWaalsContact CA-CE2 3.49Å; G76-F144 VanDerWaalsContact CA-CZ 3.49Å
77D92.1Very high90.6Very high124 Ų12473.4 Ų73.466%0.66337%0.374SS*.G310 helixtrans-68.9-18.9179.1-66.7-31.6000113N75 L79 K99N75-D77 PolarHBondContact O-N 2.61Å; N75-D77 PolarHBondContact OD1-N 2.91Å; N75-D77 VanDerWaalsContact OD1-N 3.12Å; D77-L79 VanDerWaalsContact C-N 3.34Å; D77-K99 WeakPolarHBondContact O-CE 3.08Å; D77-K99 PolarHBondContact O-NZ 3.38Å
78E94Very high89.2Confident66 Ų6672.7 Ų72.731%0.30838%0.383SS..G310 helixtrans-88.8-4.7-179.8-65.6-179.7157.100112.8N75 G76 H98 K99 P100N75-E78 HydrophobicContact CB-CG 4.14Å; N75-E78 PolarHBondContact O-N 2.79Å; N75-E78 VanDerWaalsContact O-N 3.09Å; G76-E78 PolarHBondContact O-N 2.81Å; E78-H98 IonicContact OE2-NE2 3.78Å; E78-H98 PolarHBondContact OE2-NE2 3.29Å; E78-K99 VanDerWaalsContact CA-CE 3.5Å; E78-K99 WeakPolarHBondContact O-CB 3.43Å; E78-K99 WeakPolarHBondContact O-CE 3.44Å; E78-K99 WeakPolarHBondContact O-CG 3.15Å; E78-K99 PolarHBondContact O-N 3.45Å; E78-P100 HydrophobicContact CB-CG 4.28Å; E78-P100 HydrophobicContact CG-CG 4.26Å
79L96.1Very high87.5Confident18 Ų1874.4 Ų74.49%0.09439%0.393CS..EExtended strand (participates in β ladder)trans-100.2115-178.6-60.1177.6000111.4L74 G76 D77 V96 H98 M105 F144L74-L79 HydrophobicContact CD2-CD2 4.35Å; G76-L79 PolarHBondContact O-N 3.26Å; D77-L79 VanDerWaalsContact C-N 3.34Å; L79-V96 HydrophobicContact CB-CB 4.46Å; L79-V96 HydrophobicContact CD2-CG2 4.17Å; L79-H98 HydrophobicContact CD2-CB 4.08Å; L79-M105 HydrophobicContact CD2-SD 4.39Å; L79-F144 HydrophobicContact CD1-CE1 3.87Å; L79-F144 HydrophobicContact CD1-CZ 3.81Å
80E96.5Very high86.2Confident87 Ų8768.9 Ų68.941%0.40737%0.371SS..EExtended strand (participates in β ladder)trans-88.6121.5172.9-178.4-167.8-171.100110V96 R97 K99E80-V96 CarbonylContact O-C 3.58Å; E80-V96 WeakPolarHBondContact O-CA 3.49Å; E80-V96 WeakPolarHBondContact O-CB 3.41Å; E80-R97 HydrophobicContact CB-CB 4.37Å; E80-R97 PolarHBondContact N-O 3.35Å; E80-R97 PolarHBondContact O-N 2.91Å; E80-R97 IonicContact OE1-NH1 3.66Å; E80-R97 IonicContact OE2-CZ 3.65Å; E80-R97 IonicContact OE2-NH1 3.79Å; E80-R97 PolarHBondContact OE2-NH1 2.73Å; E80-K99 HydrophobicContact CB-CG 4.14Å
81K96.3Very high85.4Confident108 Ų10864.2 Ų64.247%0.4736%0.358SS..EExtended strand (participates in β ladder)trans-70.1129.3174.2-178.1-179.7178.3170.40110.4E84 M94K81-E84 IonicContact NZ-OE1 2.73Å; K81-E84 PolarHBondContact NZ-OE1 2.9Å; K81-M94 HydrophobicContact CD-CE 4.09Å; K81-M94 HydrophobicContact CD-SD 3.51Å; K81-M94 VanDerWaalsContact CD-SD 3.51Å; K81-M94 WeakPolarHBondContact CE-SD 3.5Å; K81-M94 HydrophobicContact CG-CE 4.27Å; K81-M94 HydrophobicContact CG-SD 4.01Å; K81-M94 PolarHBondContact NZ-SD 3.1Å
82I97Very high85.2Confident70 Ų7065.7 Ų65.736%0.35937%0.367SS..EExtended strand (participates in β ladder)trans-102.5-57.5175.4-63.8169000110.7K95 R97 I104I82-K95 HydrophobicContact CB-CB 4.35Å; I82-K95 HydrophobicContact CB-CD 4.48Å; I82-K95 HydrophobicContact CB-CG 4.26Å; I82-K95 WeakPolarHBondContact CB-O 3.44Å; I82-K95 HydrophobicContact CD1-CG 4.24Å; I82-K95 HydrophobicContact CG2-CD 4.24Å; I82-K95 PolarHBondContact N-O 3.13Å; I82-R97 HydrophobicContact CD1-CB 3.96Å; I82-R97 HydrophobicContact CG1-CB 4.5Å; I82-I104 HydrophobicContact CD1-CD1 3.61Å
83S94.5Very high85.4Confident47 Ų4764.5 Ų64.533%0.32935%0.348SS..EExtended strand (participates in β ladder)trans-156.3161.8-175.967.40000110.8M94 K95S83-M94 CarbonylContact O-C 3.47Å; S83-M94 WeakPolarHBondContact O-CA 3.33Å; S83-K95 PolarHBondContact N-O 2.74Å; S83-K95 PolarHBondContact O-N 2.89Å
84E92.4Very high85.8Confident89 Ų8956.6 Ų56.642%0.41631%0.311SS..EExtended strand (participates in β ladder)trans-84.5139.8168.8-69.6172.9-17100109.4K81 Y87 M94K81-E84 IonicContact NZ-OE1 2.73Å; K81-E84 PolarHBondContact NZ-OE1 2.9Å; E84-Y87 PolarHBondContact OE2-OH 3.16Å; E84-M94 HydrophobicContact CG-CG 4.37Å
85L88.8Confident86.1Confident36 Ų3658 Ų5819%0.18832%0.317CS..EExtended strand (participates in β ladder)trans-102.5-30.8179.4-64.6177.9000111.6V93 K95 A106 Y156 L160L85-V93 HydrophobicContact CB-CB 4.47Å; L85-V93 HydrophobicContact CB-CG1 4.3Å; L85-V93 HydrophobicContact CD1-CG1 4.21Å; L85-V93 PolarHBondContact N-O 2.77Å; L85-K95 HydrophobicContact CD1-CB 4.11Å; L85-K95 HydrophobicContact CD2-CB 3.98Å; L85-K95 HydrophobicContact CG-CB 4Å; L85-A106 HydrophobicContact CD1-CB 4.19Å; L85-Y156 HydrophobicContact CD1-CD2 3.79Å; L85-Y156 HydrophobicContact CD1-CE2 3.68Å; L85-Y156 HydrophobicContact CD2-CE2 3.73Å; L85-Y156 HydrophobicContact CG-CE2 4.38Å; L85-L160 HydrophobicContact CD2-CD2 4.01Å
86G80.5Confident86.5Confident27 Ų2754.5 Ų54.528%0.27830%0.298SS..EExtended strand (participates in β ladder)trans169.4172.2176.700000113.4V93G86-V93 PolarHBondContact N-O 3.19Å; G86-V93 PolarHBondContact O-N 2.77Å
87Y72.9Confident87Confident172 Ų17258.3 Ų58.368%0.67531%0.309SS*.EExtended strand (participates in β ladder)trans-114.9123.8175.6-62.4-95.1000107.7E84 V92E84-Y87 PolarHBondContact OE2-OH 3.16Å; Y87-V92 HydrophobicContact CD1-CG1 4.39Å; Y87-V92 HydrophobicContact CD1-CG2 3.74Å; Y87-V92 HydrophobicContact CE1-CG1 4.16Å; Y87-V92 HydrophobicContact CE1-CG2 3.75Å
88G63.7Low87.3Confident44 Ų4452.5 Ų52.545%0.45428%0.278SS..EExtended strand (participates in β ladder)trans-118.8173.117700000111.9G90 G91G88-G90 PolarHBondContact O-N 2.9Å; G88-G91 PolarHBondContact N-O 2.81Å; G88-G91 PolarHBondContact O-N 2.84Å; G88-G91 VanDerWaalsContact O-N 3.07Å
89N55.7Low87.4Confident63 Ų6355.3 Ų55.334%0.33729%0.289SS..THydrogen-bonded Turntrans-59.2-15.8176.3-66.2-21.1000113.2F234 T237N89-F234 HydrophobicContact CB-CB 4.06Å; N89-F234 HydrophobicContact CB-CD1 4.08Å; N89-F234 HydrophobicContact CB-CD2 4.39Å; N89-F234 HydrophobicContact CB-CG 3.89Å; N89-F234 WeakPolarHBondContact O-CD2 3.28Å; N89-F234 WeakPolarHBondContact O-CE2 3.37Å; N89-F234 WeakPolarHBondContact O-CZ 3.42Å; N89-T237 PolarHBondContact ND2-OG1 3.14Å
90G63.2Low87.4Confident13 Ų1358.5 Ų58.513%0.13431%0.311CS..THydrogen-bonded Turntrans-105.74.9179.200000114.7G88 I110G88-G90 PolarHBondContact O-N 2.9Å; G90-I110 WeakPolarHBondContact O-CG1 3.32Å; G90-I110 WeakPolarHBondContact O-CG2 3.36Å
91G75.5Confident87.4Confident26 Ų2656 Ų5627%0.26830%0.303SS..EExtended strand (participates in β ladder)trans123.1-159.4-177.700000113.9G88 L109G88-G91 PolarHBondContact N-O 2.81Å; G88-G91 PolarHBondContact O-N 2.84Å; G88-G91 VanDerWaalsContact O-N 3.07Å; G91-L109 WeakPolarHBondContact CA-O 3.36Å
92V87.6Confident87.4Confident41 Ų4152.8 Ų52.825%0.24830%0.301CS..EExtended strand (participates in β ladder)trans-97.3137.8-171.5-173.60000110.2Y87 M94 K108 L109Y87-V92 HydrophobicContact CD1-CG1 4.39Å; Y87-V92 HydrophobicContact CD1-CG2 3.74Å; Y87-V92 HydrophobicContact CE1-CG1 4.16Å; Y87-V92 HydrophobicContact CE1-CG2 3.75Å; V92-M94 HydrophobicContact CG1-CG 4.02Å; V92-K108 WeakPolarHBondContact O-CA 3.42Å; V92-L109 PolarHBondContact N-O 3.16Å; V92-L109 PolarHBondContact O-N 3.06Å
93V93Very high87.3Confident33 Ų3350.3 Ų50.320%0.229%0.288CS..EExtended strand (participates in β ladder)trans-110.5127.1172.2-171.30000109.1L85 G86 A106 R107 K108L85-V93 HydrophobicContact CB-CB 4.47Å; L85-V93 HydrophobicContact CB-CG1 4.3Å; L85-V93 HydrophobicContact CD1-CG1 4.21Å; L85-V93 PolarHBondContact N-O 2.77Å; G86-V93 PolarHBondContact N-O 3.19Å; G86-V93 PolarHBondContact O-N 2.77Å; V93-A106 HydrophobicContact CG1-CB 4.22Å; V93-R107 WeakPolarHBondContact CA-O 3.12Å; V93-K108 HydrophobicContact CG2-CB 4.19Å; V93-K108 HydrophobicContact CG2-CD 4.33Å; V93-K108 HydrophobicContact CG2-CG 4.06Å
94M94.9Very high87.5Confident19 Ų1950.6 Ų50.69%0.09429%0.285CS..EExtended strand (participates in β ladder)trans-122.7145.7-178.1-51.6-165.8-5800111.1K81 S83 E84 V92 V96 A106 R107 L109K81-M94 HydrophobicContact CD-CE 4.09Å; K81-M94 HydrophobicContact CD-SD 3.51Å; K81-M94 VanDerWaalsContact CD-SD 3.51Å; K81-M94 WeakPolarHBondContact CE-SD 3.5Å; K81-M94 HydrophobicContact CG-CE 4.27Å; K81-M94 HydrophobicContact CG-SD 4.01Å; K81-M94 PolarHBondContact NZ-SD 3.1Å; S83-M94 CarbonylContact O-C 3.47Å; S83-M94 WeakPolarHBondContact O-CA 3.33Å; E84-M94 HydrophobicContact CG-CG 4.37Å; V92-M94 HydrophobicContact CG1-CG 4.02Å; M94-V96 HydrophobicContact CB-CG1 4.25Å; M94-A106 CarbonylContact O-C 3.56Å; M94-A106 WeakPolarHBondContact O-CA 3.18Å; M94-R107 PolarHBondContact N-O 2.74Å; M94-R107 PolarHBondContact O-N 2.87Å; M94-L109 HydrophobicContact CE-CD1 3.56Å; M94-L109 HydrophobicContact CE-CD2 4.42Å; M94-L109 HydrophobicContact CG-CD1 3.95Å; M94-L109 HydrophobicContact SD-CD1 4.1Å
95K97.1Very high87.7Confident49 Ų4946.3 Ų46.321%0.21327%0.265CS..EExtended strand (participates in β ladder)trans-79.1125164.7-170.1176.2-175.51690108.3I82 S83 L85 I104 M105 Y156I82-K95 HydrophobicContact CB-CB 4.35Å; I82-K95 HydrophobicContact CB-CD 4.48Å; I82-K95 HydrophobicContact CB-CG 4.26Å; I82-K95 WeakPolarHBondContact CB-O 3.44Å; I82-K95 HydrophobicContact CD1-CG 4.24Å; I82-K95 HydrophobicContact CG2-CD 4.24Å; I82-K95 PolarHBondContact N-O 3.13Å; S83-K95 PolarHBondContact N-O 2.74Å; S83-K95 PolarHBondContact O-N 2.89Å; L85-K95 HydrophobicContact CD1-CB 4.11Å; L85-K95 HydrophobicContact CD2-CB 3.98Å; L85-K95 HydrophobicContact CG-CB 4Å; K95-I104 HydrophobicContact CD-CG2 4.33Å; K95-I104 VanDerWaalsContact CE-CG2 3.47Å; K95-I104 HydrophobicContact CG-CG2 3.89Å; K95-M105 WeakPolarHBondContact CA-O 3.49Å; K95-Y156 HydrophobicContact CD-CE1 4.15Å; K95-Y156 HydrophobicContact CD-CE2 4.18Å; K95-Y156 VanDerWaalsContact CE-CE1 3.47Å; K95-Y156 HydrophobicContact CG-CD2 4.46Å; K95-Y156 HydrophobicContact CG-CE2 4.36Å; K95-Y156 PolarHBondContact NZ-OH 3.24Å
96V97.5Very high88.1Confident1 Ų145.1 Ų45.11%0.00626%0.26CS..EExtended strand (participates in β ladder)trans-129.5156.2-180-57.10000110.9L79 E80 M94 I104 M105 R107L79-V96 HydrophobicContact CB-CB 4.46Å; L79-V96 HydrophobicContact CD2-CG2 4.17Å; E80-V96 CarbonylContact O-C 3.58Å; E80-V96 WeakPolarHBondContact O-CA 3.49Å; E80-V96 WeakPolarHBondContact O-CB 3.41Å; M94-V96 HydrophobicContact CB-CG1 4.25Å; V96-I104 WeakPolarHBondContact O-CA 3.26Å; V96-M105 HydrophobicContact CG2-CB 3.85Å; V96-M105 PolarHBondContact N-O 3.03Å; V96-M105 PolarHBondContact O-N 3Å; V96-R107 HydrophobicContact CG1-CB 3.76Å; V96-R107 HydrophobicContact CG2-CB 3.87Å
97R97.9Very high88.8Confident92 Ų9245.2 Ų45.235%0.34725%0.252SS..EExtended strand (participates in β ladder)trans-110.8127.8168.5-179.9-177.6-63.3122.7-3.3109.2E80 I82 K99 I103 I104E80-R97 HydrophobicContact CB-CB 4.37Å; E80-R97 PolarHBondContact N-O 3.35Å; E80-R97 PolarHBondContact O-N 2.91Å; E80-R97 IonicContact OE1-NH1 3.66Å; E80-R97 IonicContact OE2-CZ 3.65Å; E80-R97 IonicContact OE2-NH1 3.79Å; E80-R97 PolarHBondContact OE2-NH1 2.73Å; I82-R97 HydrophobicContact CD1-CB 3.96Å; I82-R97 HydrophobicContact CG1-CB 4.5Å; R97-K99 PolarHBondContact O-N 3.45Å; R97-I103 WeakPolarHBondContact CA-O 3.46Å; R97-I104 HydrophobicContact CB-CD1 3.93Å; R97-I104 HydrophobicContact CG-CD1 4.12Å
98H97.6Very high89.7Confident1 Ų137.8 Ų37.81%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-76.6108.9167.6-177.6-116.1000109.1I71 E78 L79 S101 G102 I103 M105I71-H98 HydrophobicContact CD1-CB 4.4Å; E78-H98 IonicContact OE2-NE2 3.78Å; E78-H98 PolarHBondContact OE2-NE2 3.29Å; L79-H98 HydrophobicContact CD2-CB 4.08Å; H98-S101 PolarHBondContact ND1-N 3.03Å; H98-S101 PolarHBondContact ND1-OG 3.44Å; H98-S101 PolarHBondContact O-N 3.16Å; H98-G102 WeakPolarHBondContact O-CA 3.4Å; H98-G102 PolarHBondContact O-N 3.31Å; H98-I103 PolarHBondContact N-O 3.16Å; H98-M105 HydrophobicContact CB-CE 3.55Å; H98-M105 HydrophobicContact CB-SD 4.36Å
99K96.9Very high91Very high125 Ų12536.6 Ų36.654%0.54321%0.207SC..THydrogen-bonded Turntrans-56-44.8-172.4-67.8179.2-68.2-177.30113.2D77 E78 E80 R97 S101D77-K99 WeakPolarHBondContact O-CE 3.08Å; D77-K99 PolarHBondContact O-NZ 3.38Å; E78-K99 VanDerWaalsContact CA-CE 3.5Å; E78-K99 WeakPolarHBondContact O-CB 3.43Å; E78-K99 WeakPolarHBondContact O-CE 3.44Å; E78-K99 WeakPolarHBondContact O-CG 3.15Å; E78-K99 PolarHBondContact O-N 3.45Å; E80-K99 HydrophobicContact CB-CG 4.14Å; R97-K99 PolarHBondContact O-N 3.45Å; K99-S101 PolarHBondContact O-N 2.96Å
100P95.8Very high92.4Very high85 Ų8533.8 Ų33.855%0.55219%0.191SC*.THydrogen-bonded Turntrans-63.6-39.3-178.3-23.833.8000114.2E78E78-P100 HydrophobicContact CB-CG 4.28Å; E78-P100 HydrophobicContact CG-CG 4.26Å
101S95.9Very high93.5Very high34 Ų3438.7 Ų38.724%0.23821%0.211CC..THydrogen-bonded Turntrans-101.1-14.6-174.669.70000114.2I71 H98 K99 I103I71-S101 WeakPolarHBondContact CD1-OG 3.48Å; H98-S101 PolarHBondContact ND1-N 3.03Å; H98-S101 PolarHBondContact ND1-OG 3.44Å; H98-S101 PolarHBondContact O-N 3.16Å; K99-S101 PolarHBondContact O-N 2.96Å; S101-I103 PolarHBondContact O-N 3.06Å; S101-I103 WeakPolarHBondContact OG-CB 3.36Å; S101-I103 WeakPolarHBondContact OG-CG1 3.44Å; S101-I103 PolarHBondContact OG-N 3.47Å
102G96.3Very high93.5Very high42 Ų4238.2 Ų38.243%0.43320%0.202SC..  trans72.70.3-172.500000114.7H98H98-G102 WeakPolarHBondContact O-CA 3.4Å; H98-G102 PolarHBondContact O-N 3.31Å
103I96.8Very high93.2Very high18 Ų1845 Ų459%0.09223%0.231CC..  trans-70.6137.9-175.6-70.3167.6000110.7E67 K70 I71 R97 H98 S101 M105 Y141E67-I103 HydrophobicContact CB-CD1 3.77Å; E67-I103 HydrophobicContact CG-CD1 4.13Å; E67-I103 VanDerWaalsContact O-CD1 3.23Å; E67-I103 WeakPolarHBondContact O-CD1 3.37Å; K70-I103 HydrophobicContact CB-CD1 4.3Å; I71-I103 HydrophobicContact CD1-CB 4.11Å; I71-I103 HydrophobicContact CD1-CD1 3.59Å; I71-I103 HydrophobicContact CD1-CG1 4.36Å; I71-I103 HydrophobicContact CD1-CG2 4.44Å; I71-I103 HydrophobicContact CG1-CD1 4.4Å; R97-I103 WeakPolarHBondContact CA-O 3.46Å; H98-I103 PolarHBondContact N-O 3.16Å; S101-I103 PolarHBondContact O-N 3.06Å; S101-I103 WeakPolarHBondContact OG-CB 3.36Å; S101-I103 WeakPolarHBondContact OG-CG1 3.44Å; S101-I103 PolarHBondContact OG-N 3.47Å; I103-M105 HydrophobicContact CB-CE 4.34Å; I103-M105 HydrophobicContact CG2-CE 4Å; I103-M105 HydrophobicContact CG2-CG 4.14Å; I103-Y141 HydrophobicContact CG2-CE1 4.47Å; I103-Y141 HydrophobicContact CG2-CE2 4.27Å; I103-Y141 WeakPolarHBondContact CG2-OH 2.88Å
104I97.6Very high92.7Very high52 Ų5245 Ų4527%0.26723%0.231SC..EExtended strand (participates in β ladder)trans-89.8134.2175.2-56.4-59000109.7I82 K95 V96 R97 Y156I82-I104 HydrophobicContact CD1-CD1 3.61Å; K95-I104 HydrophobicContact CD-CG2 4.33Å; K95-I104 VanDerWaalsContact CE-CG2 3.47Å; K95-I104 HydrophobicContact CG-CG2 3.89Å; V96-I104 WeakPolarHBondContact O-CA 3.26Å; R97-I104 HydrophobicContact CB-CD1 3.93Å; R97-I104 HydrophobicContact CG-CD1 4.12Å; I104-Y156 HydrophobicContact CG2-CD1 3.72Å; I104-Y156 HydrophobicContact CG2-CE1 4.43Å; I104-Y156 HydrophobicContact CG2-CG 3.99Å
105M97.2Very high92.3Very high0 Ų051.4 Ų51.40%026%0.258CS..EExtended strand (participates in β ladder)trans-134.9161.2-177.2-51.2177.8-178.500111.5I71 L74 L79 K95 V96 H98 I103 Y141 C153 M154I71-M105 HydrophobicContact CD1-CE 3.21Å; I71-M105 HydrophobicContact CG1-CE 3.69Å; I71-M105 HydrophobicContact CG2-CE 4.15Å; L74-M105 HydrophobicContact CD2-CE 4.38Å; L74-M105 HydrophobicContact CD2-SD 4.33Å; L79-M105 HydrophobicContact CD2-SD 4.39Å; K95-M105 WeakPolarHBondContact CA-O 3.49Å; V96-M105 HydrophobicContact CG2-CB 3.85Å; V96-M105 PolarHBondContact N-O 3.03Å; V96-M105 PolarHBondContact O-N 3Å; H98-M105 HydrophobicContact CB-CE 3.55Å; H98-M105 HydrophobicContact CB-SD 4.36Å; I103-M105 HydrophobicContact CB-CE 4.34Å; I103-M105 HydrophobicContact CG2-CE 4Å; I103-M105 HydrophobicContact CG2-CG 4.14Å; M105-Y141 HydrophobicContact CB-CD2 4.32Å; M105-Y141 HydrophobicContact CB-CE2 4.38Å; M105-Y141 HydrophobicContact CE-CD1 4.34Å; M105-Y141 HydrophobicContact CE-CD2 4.04Å; M105-Y141 HydrophobicContact CE-CE2 4.27Å; M105-Y141 HydrophobicContact CE-CG 4.07Å; M105-Y141 HydrophobicContact CG-CD2 3.72Å; M105-Y141 HydrophobicContact CG-CE2 3.68Å; M105-Y141 HydrophobicContact SD-CD2 3.79Å; M105-Y141 HydrophobicContact SD-CE2 4.28Å; M105-Y141 HydrophobicContact SD-CG 4.18Å; M105-C153 HydrophobicContact SD-CB 3.95Å; M105-M154 WeakPolarHBondContact CA-O 3.48Å; M105-M154 WeakPolarHBondContact CB-O 3.34Å
106A96.1Very high91.8Very high10 Ų1053.1 Ų53.18%0.08327%0.274CS..EExtended strand (participates in β ladder)trans-96.1119161.100000109.1L85 V93 M94 C153 M154L85-A106 HydrophobicContact CD1-CB 4.19Å; V93-A106 HydrophobicContact CG1-CB 4.22Å; M94-A106 CarbonylContact O-C 3.56Å; M94-A106 WeakPolarHBondContact O-CA 3.18Å; A106-C153 WeakPolarHBondContact O-CA 3.26Å; A106-M154 PolarHBondContact N-O 2.83Å; A106-M154 PolarHBondContact O-N 2.56Å
107R95.3Very high91.4Very high30 Ų3057 Ų5711%0.11330%0.301CS..EExtended strand (participates in β ladder)trans-101.5114.9173.8-177.8-175.6178.7-179.1-2.2109.3V93 M94 V96 L109 S151 M152V93-R107 WeakPolarHBondContact CA-O 3.12Å; M94-R107 PolarHBondContact N-O 2.74Å; M94-R107 PolarHBondContact O-N 2.87Å; V96-R107 HydrophobicContact CG1-CB 3.76Å; V96-R107 HydrophobicContact CG2-CB 3.87Å; R107-L109 HydrophobicContact CG-CD1 4.22Å; R107-L109 HydrophobicContact CG-CG 4.36Å; R107-S151 PolarHBondContact NE-OG 3.42Å; R107-S151 PolarHBondContact NH2-OG 2.8Å; R107-M152 CarbonylContact C-O 3.5Å; R107-M152 WeakPolarHBondContact CA-O 3.36Å
108K91.8Very high90.9Very high15 Ų1554.1 Ų54.17%0.06529%0.294CS..EExtended strand (participates in β ladder)trans-95.1124.1170.9-177.4170.3-179.1176.30109.5V92 V93 I110 S151 M152 M154 D219V92-K108 WeakPolarHBondContact O-CA 3.42Å; V93-K108 HydrophobicContact CG2-CB 4.19Å; V93-K108 HydrophobicContact CG2-CD 4.33Å; V93-K108 HydrophobicContact CG2-CG 4.06Å; K108-I110 HydrophobicContact CG-CG1 4.14Å; K108-S151 WeakPolarHBondContact O-CA 3.45Å; K108-M152 HydrophobicContact CB-CB 4.39Å; K108-M152 PolarHBondContact N-O 3.41Å; K108-M152 PolarHBondContact O-N 3.43Å; K108-M154 HydrophobicContact CB-CE 3.81Å; K108-M154 HydrophobicContact CD-CE 4.44Å; K108-D219 IonicContact NZ-OD1 3.67Å; K108-D219 PolarHBondContact NZ-OD1 2.72Å; K108-D219 IonicContact NZ-OD2 2.66Å; K108-D219 PolarHBondContact NZ-OD2 2.96Å
109L90.7Very high90.4Very high19 Ų1956.2 Ų56.210%0.09930%0.302CS..EExtended strand (participates in β ladder)trans-103.4124176.8-57.897.4000109G91 V92 M94 R107 E149G91-L109 WeakPolarHBondContact CA-O 3.36Å; V92-L109 PolarHBondContact N-O 3.16Å; V92-L109 PolarHBondContact O-N 3.06Å; M94-L109 HydrophobicContact CE-CD1 3.56Å; M94-L109 HydrophobicContact CE-CD2 4.42Å; M94-L109 HydrophobicContact CG-CD1 3.95Å; M94-L109 HydrophobicContact SD-CD1 4.1Å; R107-L109 HydrophobicContact CG-CD1 4.22Å; R107-L109 HydrophobicContact CG-CG 4.36Å; L109-E149 WeakPolarHBondContact CD2-OE2 3.42Å
110I87Confident89.9Confident4 Ų455.1 Ų55.12%0.02130%0.302CS..EExtended strand (participates in β ladder)trans-118.2109.1-179-48.8179.8000107.6G90 K108 L112 I150 M152 L226 M230G90-I110 WeakPolarHBondContact O-CG1 3.32Å; G90-I110 WeakPolarHBondContact O-CG2 3.36Å; K108-I110 HydrophobicContact CG-CG1 4.14Å; I110-L112 HydrophobicContact CB-CD1 4.34Å; I110-L112 HydrophobicContact CG2-CD1 3.69Å; I110-L112 HydrophobicContact CG2-CG 3.93Å; I110-I150 HydrophobicContact CB-CB 4.46Å; I110-I150 PolarHBondContact N-O 3.33Å; I110-I150 PolarHBondContact O-N 2.65Å; I110-M152 HydrophobicContact CD1-SD 3.76Å; I110-L226 HydrophobicContact CD1-CD1 4.33Å; I110-L226 HydrophobicContact CD1-CD2 4.16Å; I110-L226 HydrophobicContact CG2-CD1 4.31Å; I110-M230 HydrophobicContact CG2-SD 4.4Å
111H84.5Confident89.5Confident117 Ų11755.2 Ų55.254%0.54230%0.295SS..EExtended strand (participates in β ladder)trans-77.7123173.9-170.379.6000110E149H111-E149 HydrophobicContact CB-CG 4.48Å; H111-E149 IonicContact ND1-OE1 3.59Å
112L76.8Confident89.1Confident16 Ų1653.6 Ų53.68%0.08428%0.284CS..  trans-137.5115.5-175.8-80.1150.8000111.2I110 V114 I122 I150 L226I110-L112 HydrophobicContact CB-CD1 4.34Å; I110-L112 HydrophobicContact CG2-CD1 3.69Å; I110-L112 HydrophobicContact CG2-CG 3.93Å; L112-V114 VanDerWaalsContact C-N 3.29Å; L112-V114 HydrophobicContact CB-CG1 4.44Å; L112-V114 HydrophobicContact CB-CG2 4.16Å; L112-V114 HydrophobicContact CD2-CG1 4.25Å; L112-V114 PolarHBondContact O-N 2.97Å; L112-V114 VanDerWaalsContact O-N 3.07Å; L112-I122 HydrophobicContact CD1-CD1 4.43Å; L112-I150 HydrophobicContact CD1-CD1 3.52Å; L112-I150 HydrophobicContact CD1-CG1 4.04Å; L112-L226 HydrophobicContact CD1-CD1 3.58Å; L112-L226 HydrophobicContact CD2-CD1 4.41Å
113E81.2Confident88.7Confident184 Ų18453.1 Ų53.186%0.8627%0.271SS*.  trans-83.871.7169.6-65.2-171.4167.900110.7
114V81.6Confident88.2Confident31 Ų3158.7 Ų58.719%0.18830%0.295CS..  trans-123.3156.1178.8-60.50000112L112 T118 R119L112-V114 VanDerWaalsContact C-N 3.29Å; L112-V114 HydrophobicContact CB-CG1 4.44Å; L112-V114 HydrophobicContact CB-CG2 4.16Å; L112-V114 HydrophobicContact CD2-CG1 4.25Å; L112-V114 PolarHBondContact O-N 2.97Å; L112-V114 VanDerWaalsContact O-N 3.07Å; V114-T118 HydrophobicContact CB-CG2 4.27Å; V114-R119 HydrophobicContact CG2-CB 4.04Å
115K87.1Confident87.6Confident155 Ų15558.5 Ų58.567%0.67429%0.293SS*.  trans-58.9147.5175.9-65.5-178.6-177.3178.10110.5S117 T118 R119K115-S117 PolarHBondContact O-N 3.04Å; K115-S117 VanDerWaalsContact O-N 3.12Å; K115-T118 PolarHBondContact O-N 3.15Å; K115-T118 VanDerWaalsContact O-N 3.07Å; K115-R119 PolarHBondContact O-N 2.93Å
116P87.2Confident87.2Confident85 Ų8558.7 Ų58.755%0.55229%0.294SS*.Hα-helixtrans-53.8-34.2179-28.435.3000114.3R119 N120P116-R119 PolarHBondContact O-N 3.35Å; P116-N120 VanDerWaalsContact O-CG 3.23Å; P116-N120 PolarHBondContact O-N 3.34Å; P116-N120 PolarHBondContact O-ND2 2.85Å
117S88.4Confident86.6Confident81 Ų8164.6 Ų64.657%0.56632%0.317SS*.Hα-helixtrans-63.8-48.617651.40000112.6K115 R119 N120 Q121K115-S117 PolarHBondContact O-N 3.04Å; K115-S117 VanDerWaalsContact O-N 3.12Å; S117-R119 VanDerWaalsContact C-N 3.32Å; S117-R119 PolarHBondContact O-N 2.89Å; S117-N120 PolarHBondContact O-N 3.38Å; S117-Q121 PolarHBondContact O-N 2.98Å
118T86.6Confident85.9Confident33 Ų3366.2 Ų66.220%0.20233%0.331CS..Hα-helixtrans-62.4-40.6176.5-52.80000111.1V114 K115 Q121 I122V114-T118 HydrophobicContact CB-CG2 4.27Å; K115-T118 PolarHBondContact O-N 3.15Å; K115-T118 VanDerWaalsContact O-N 3.07Å; T118-Q121 WeakPolarHBondContact O-CB 3.18Å; T118-Q121 PolarHBondContact O-N 2.85Å; T118-I122 HydrophobicContact CG2-CD1 4.31Å; T118-I122 WeakPolarHBondContact O-CG1 3.42Å; T118-I122 PolarHBondContact O-N 2.85Å
119R87.5Confident85.7Confident44 Ų4466.2 Ų66.217%0.16633%0.331CS..Hα-helixtrans-59.4-48.9174.9180-167.5-62.8165.61.2112.3V114 K115 P116 S117 Q121 I122 I123 Y145V114-R119 HydrophobicContact CG2-CB 4.04Å; K115-R119 PolarHBondContact O-N 2.93Å; P116-R119 PolarHBondContact O-N 3.35Å; S117-R119 VanDerWaalsContact C-N 3.32Å; S117-R119 PolarHBondContact O-N 2.89Å; R119-Q121 PolarHBondContact O-N 2.92Å; R119-I122 WeakPolarHBondContact O-CB 3.33Å; R119-I122 PolarHBondContact O-N 2.85Å; R119-I122 VanDerWaalsContact O-N 3.14Å; R119-I123 HydrophobicContact CG-CD1 4.27Å; R119-I123 WeakPolarHBondContact O-CG1 3.09Å; R119-I123 PolarHBondContact O-N 2.85Å; R119-Y145 HydrophobicContact CG-CD2 4.01Å; R119-Y145 HydrophobicContact CG-CE2 4.42Å; R119-Y145 HydrophobicContact CG-CG 4.32Å; R119-Y145 PolarHBondContact NH1-OH 3.1Å; R119-Y145 PolarHBondContact NH2-OH 3.06Å; R119-Y145 VanDerWaalsContact NH2-OH 3.1Å
120N87Confident85.4Confident103 Ų10368.6 Ų68.655%0.55134%0.342SS*.Hα-helixtrans-62.9-35.2178.6-70.7-12.6000111.4P116 S117 K124P116-N120 VanDerWaalsContact O-CG 3.23Å; P116-N120 PolarHBondContact O-N 3.34Å; P116-N120 PolarHBondContact O-ND2 2.85Å; S117-N120 PolarHBondContact O-N 3.38Å; N120-K124 WeakPolarHBondContact O-CB 3.38Å; N120-K124 PolarHBondContact O-N 2.83Å
121Q87.7Confident85.2Confident86 Ų8672.6 Ų72.640%0.40236%0.357SS..Hα-helixtrans-63.8-45.9172.4-178.4174.6-4.300111.9S117 T118 R119 I123 K124 E125 Q225S117-Q121 PolarHBondContact O-N 2.98Å; T118-Q121 WeakPolarHBondContact O-CB 3.18Å; T118-Q121 PolarHBondContact O-N 2.85Å; R119-Q121 PolarHBondContact O-N 2.92Å; Q121-I123 PolarHBondContact O-N 3.02Å; Q121-K124 WeakPolarHBondContact O-CB 3.4Å; Q121-K124 PolarHBondContact O-N 2.93Å; Q121-E125 VanDerWaalsContact CG-OE1 3.29Å; Q121-E125 WeakPolarHBondContact CG-OE1 3.37Å; Q121-E125 PolarHBondContact NE2-OE1 3.33Å; Q121-E125 WeakPolarHBondContact O-CG 3.16Å; Q121-E125 PolarHBondContact O-N 3.24Å; Q121-Q225 HydrophobicContact CG-CG 4.41Å
122I86.9Confident85.3Confident0 Ų067.2 Ų67.20%033%0.332CS..Hα-helixtrans-57.7-49.3175.7-68.3165.5000110.6L112 T118 R119 K124 E125 L126 I150 Q225 L226L112-I122 HydrophobicContact CD1-CD1 4.43Å; T118-I122 HydrophobicContact CG2-CD1 4.31Å; T118-I122 WeakPolarHBondContact O-CG1 3.42Å; T118-I122 PolarHBondContact O-N 2.85Å; R119-I122 WeakPolarHBondContact O-CB 3.33Å; R119-I122 PolarHBondContact O-N 2.85Å; R119-I122 VanDerWaalsContact O-N 3.14Å; I122-K124 VanDerWaalsContact C-N 3.27Å; I122-K124 PolarHBondContact O-N 3.08Å; I122-E125 PolarHBondContact O-N 2.88Å; I122-L126 HydrophobicContact CG2-CD1 3.96Å; I122-L126 HydrophobicContact CG2-CG 4.28Å; I122-L126 VanDerWaalsContact O-CG 3.31Å; I122-L126 WeakPolarHBondContact O-CG 3.43Å; I122-L126 PolarHBondContact O-N 2.73Å; I122-I150 HydrophobicContact CB-CD1 4.15Å; I122-I150 HydrophobicContact CD1-CD1 4.44Å; I122-I150 HydrophobicContact CG2-CD1 3.58Å; I122-Q225 HydrophobicContact CD1-CB 4.4Å; I122-Q225 HydrophobicContact CG1-CB 3.77Å; I122-L226 HydrophobicContact CG2-CB 4.21Å; I122-L226 HydrophobicContact CG2-CD1 4.17Å
123I87.1Confident85.9Confident32 Ų3266.7 Ų66.716%0.16433%0.33CS..Hα-helixtrans-60.2-40179.1-63.3169.3000110.7R119 Q121 L126 K127R119-I123 HydrophobicContact CG-CD1 4.27Å; R119-I123 WeakPolarHBondContact O-CG1 3.09Å; R119-I123 PolarHBondContact O-N 2.85Å; Q121-I123 PolarHBondContact O-N 3.02Å; I123-L126 PolarHBondContact O-N 2.85Å; I123-K127 PolarHBondContact O-N 2.91Å
124K86.2Confident86.4Confident135 Ų13558.1 Ų58.159%0.58729%0.29SS*.Hα-helixtrans-64.5-43.2176.9-171.9179.4177.7-177.90111.9N120 Q121 I122 K127N120-K124 WeakPolarHBondContact O-CB 3.38Å; N120-K124 PolarHBondContact O-N 2.83Å; Q121-K124 WeakPolarHBondContact O-CB 3.4Å; Q121-K124 PolarHBondContact O-N 2.93Å; I122-K124 VanDerWaalsContact C-N 3.27Å; I122-K124 PolarHBondContact O-N 3.08Å; K124-K127 WeakPolarHBondContact O-CB 3.1Å; K124-K127 PolarHBondContact O-N 2.84Å
125E86.5Confident87.1Confident48 Ų4857 Ų5722%0.22428%0.283CS..Hα-helixtrans-64.9-39.1176.2-72.5171.8-163.500111.4Q121 I122 K127 V128 S223Q121-E125 VanDerWaalsContact CG-OE1 3.29Å; Q121-E125 WeakPolarHBondContact CG-OE1 3.37Å; Q121-E125 PolarHBondContact NE2-OE1 3.33Å; Q121-E125 WeakPolarHBondContact O-CG 3.16Å; Q121-E125 PolarHBondContact O-N 3.24Å; I122-E125 PolarHBondContact O-N 2.88Å; E125-K127 PolarHBondContact O-N 3Å; E125-V128 WeakPolarHBondContact O-CB 3.39Å; E125-V128 WeakPolarHBondContact O-CG2 3.25Å; E125-V128 PolarHBondContact O-N 3.01Å; E125-V128 VanDerWaalsContact O-N 3.11Å; E125-S223 VanDerWaalsContact OE2-CA 3.24Å; E125-S223 WeakPolarHBondContact OE2-CA 3.18Å; E125-S223 WeakPolarHBondContact OE2-CB 3.24Å; E125-S223 PolarHBondContact OE2-OG 2.91Å
126L87.1Confident87.5Confident4 Ų451.6 Ų51.62%0.02126%0.259CS..Hα-helixtrans-63.3-21.2175.7-70.4174.9000113.2I122 I123 V128 L129 A143 I150 M152 L226I122-L126 HydrophobicContact CG2-CD1 3.96Å; I122-L126 HydrophobicContact CG2-CG 4.28Å; I122-L126 VanDerWaalsContact O-CG 3.31Å; I122-L126 WeakPolarHBondContact O-CG 3.43Å; I122-L126 PolarHBondContact O-N 2.73Å; I123-L126 PolarHBondContact O-N 2.85Å; L126-V128 PolarHBondContact O-N 2.8Å; L126-L129 HydrophobicContact CD2-CD1 3.71Å; L126-L129 VanDerWaalsContact O-CB 3.25Å; L126-L129 WeakPolarHBondContact O-CB 3.33Å; L126-L129 PolarHBondContact O-N 3.33Å; L126-L129 VanDerWaalsContact O-N 3.07Å; L126-A143 HydrophobicContact CB-CB 4.33Å; L126-A143 HydrophobicContact CD1-CB 4Å; L126-I150 HydrophobicContact CD1-CG2 4.03Å; L126-M152 HydrophobicContact CD1-CG 4.21Å; L126-M152 HydrophobicContact CD1-SD 4.21Å; L126-M152 HydrophobicContact CD2-CE 3.92Å; L126-M152 HydrophobicContact CD2-SD 4.17Å; L126-L226 HydrophobicContact CD2-CD2 4.4Å
127K83.6Confident87.9Confident134 Ų13447.6 Ų47.658%0.58323%0.233SC*.G310 helixtrans-61.5-22.5173.9-66.7-173.2176-170.80112.9I123 K124 E125 L129 H130I123-K127 PolarHBondContact O-N 2.91Å; K124-K127 WeakPolarHBondContact O-CB 3.1Å; K124-K127 PolarHBondContact O-N 2.84Å; E125-K127 PolarHBondContact O-N 3Å; K127-L129 PolarHBondContact O-N 3.3Å; K127-H130 WeakPolarHBondContact O-CB 3.41Å; K127-H130 PolarHBondContact O-N 3.16Å
128V82.5Confident88.3Confident65 Ų6544.2 Ų44.239%0.39421%0.209SC..G310 helixtrans-60.7-32.4175177.50000111.3E125 L126 H130 Y131 I197 V222E125-V128 WeakPolarHBondContact O-CB 3.39Å; E125-V128 WeakPolarHBondContact O-CG2 3.25Å; E125-V128 PolarHBondContact O-N 3.01Å; E125-V128 VanDerWaalsContact O-N 3.11Å; L126-V128 PolarHBondContact O-N 2.8Å; V128-H130 PolarHBondContact O-N 3.12Å; V128-H130 VanDerWaalsContact O-N 3.11Å; V128-Y131 PolarHBondContact O-N 3.29Å; V128-Y131 VanDerWaalsContact O-N 3.1Å; V128-I197 HydrophobicContact CG1-CD1 4.35Å; V128-V222 HydrophobicContact CB-CG1 3.93Å; V128-V222 HydrophobicContact CG1-CG1 4.26Å
129L86Confident88.6Confident14 Ų1442.8 Ų42.87%0.07320%0.201CC..G310 helixtrans-59.9-23.3175.9-68.6170.2000112.9L126 K127 Y131 C132 F140 M152 F220 V222L126-L129 HydrophobicContact CD2-CD1 3.71Å; L126-L129 VanDerWaalsContact O-CB 3.25Å; L126-L129 WeakPolarHBondContact O-CB 3.33Å; L126-L129 PolarHBondContact O-N 3.33Å; L126-L129 VanDerWaalsContact O-N 3.07Å; K127-L129 PolarHBondContact O-N 3.3Å; L129-Y131 PolarHBondContact O-N 3.04Å; L129-C132 WeakPolarHBondContact O-CB 3.46Å; L129-C132 PolarHBondContact O-N 3.24Å; L129-C132 VanDerWaalsContact O-N 3.12Å; L129-F140 HydrophobicContact CB-CB 3.96Å; L129-F140 HydrophobicContact CB-CD1 3.41Å; L129-F140 VanDerWaalsContact CB-CD1 3.41Å; L129-F140 HydrophobicContact CB-CD2 3.99Å; L129-F140 HydrophobicContact CB-CE1 3.71Å; L129-F140 HydrophobicContact CB-CE2 4.28Å; L129-F140 HydrophobicContact CB-CG 3.53Å; L129-F140 HydrophobicContact CB-CZ 4.12Å; L129-F140 HydrophobicContact CD1-CD2 3.92Å; L129-F140 HydrophobicContact CD1-CE1 4.47Å; L129-F140 HydrophobicContact CD1-CE2 3.76Å; L129-F140 HydrophobicContact CD1-CG 4.34Å; L129-F140 HydrophobicContact CD1-CZ 4.02Å; L129-M152 HydrophobicContact CD1-CE 3.71Å; L129-F220 HydrophobicContact CD2-CD2 4.37Å; L129-F220 HydrophobicContact CD2-CE1 4.03Å; L129-F220 HydrophobicContact CD2-CE2 3.38Å; L129-F220 HydrophobicContact CD2-CZ 3.14Å; L129-V222 HydrophobicContact CD2-CB 4.36Å; L129-V222 HydrophobicContact CD2-CG2 3.43Å; L129-V222 VanDerWaalsContact CD2-CG2 3.43Å; L129-V222 HydrophobicContact CG-CB 4.4Å; L129-V222 HydrophobicContact CG-CG1 4.43Å; L129-V222 HydrophobicContact CG-CG2 3.97Å
130H84.6Confident89Confident70 Ų7041 Ų4132%0.32420%0.195SC..G310 helixtrans-66.7-23.7179.5-133.572.7000112.9K68 K127 V128 F140 Y141K68-H130 PolarHBondContact NZ-O 3.01Å; K127-H130 WeakPolarHBondContact O-CB 3.41Å; K127-H130 PolarHBondContact O-N 3.16Å; V128-H130 PolarHBondContact O-N 3.12Å; V128-H130 VanDerWaalsContact O-N 3.11Å; H130-F140 HydrophobicContact CB-CD1 4.36Å; H130-F140 AromaticContact ND1-CD1 3.64Å; H130-F140 AromaticContact ND1-CE1 3.88Å; H130-Y141 PolarHBondContact CE1-O 3.4Å
131Y82.7Confident89.3Confident88 Ų8836.5 Ų36.535%0.34517%0.17SC..G310 helixtrans-97.4-0.6177.1-50.7-72.7000112.5L38 V128 L129 N133L38-Y131 HydrophobicContact CB-CE1 4.49Å; L38-Y131 HydrophobicContact CD2-CD1 3.59Å; L38-Y131 HydrophobicContact CD2-CD2 4.16Å; L38-Y131 HydrophobicContact CD2-CE1 3.23Å; L38-Y131 HydrophobicContact CD2-CE2 3.84Å; L38-Y131 HydrophobicContact CD2-CG 4.05Å; L38-Y131 HydrophobicContact CG-CE1 4.42Å; V128-Y131 PolarHBondContact O-N 3.29Å; V128-Y131 VanDerWaalsContact O-N 3.1Å; L129-Y131 PolarHBondContact O-N 3.04Å; Y131-N133 PolarHBondContact O-N 3.07Å; Y131-N133 VanDerWaalsContact O-N 3.16Å
132C87.2Confident89.6Confident3 Ų332.8 Ų32.82%0.0216%0.155CC..  trans-8391.3176.7-168.30000109.4L129 I137 L195 F220L129-C132 WeakPolarHBondContact O-CB 3.46Å; L129-C132 PolarHBondContact O-N 3.24Å; L129-C132 VanDerWaalsContact O-N 3.12Å; C132-I137 VanDerWaalsContact SG-CG2 3.5Å; C132-L195 HydrophobicContact CB-CD1 3.97Å; C132-L195 VanDerWaalsContact SG-CD1 3.6Å; C132-F220 HydrophobicContact CB-CZ 4.35Å
133N89.4Confident89.8Confident5 Ų534 Ų343%0.02717%0.165CC..  trans-121100.8-178.4-57.5-56.6000109.7E47 M61 F65 Y131 Y190E47-N133 PolarHBondContact OE2-ND2 3.16Å; M61-N133 HydrophobicContact CE-CB 3.79Å; F65-N133 HydrophobicContact CE1-CB 3.99Å; F65-N133 VanDerWaalsContact CE1-CG 3.45Å; F65-N133 HydrophobicContact CZ-CB 3.69Å; Y131-N133 PolarHBondContact O-N 3.07Å; Y131-N133 VanDerWaalsContact O-N 3.16Å; N133-Y190 PolarHBondContact N-OH 3.27Å; N133-Y190 PolarHBondContact O-OH 3.03Å
134S92.5Very high90Very high4 Ų433.6 Ų33.63%0.02816%0.162CC..  trans-147.6144.2178.9169.20000109.8Y136 I137S134-Y136 PolarHBondContact O-N 3.1Å; S134-Y136 PolarHBondContact OG-N 3.11Å; S134-I137 PolarHBondContact O-N 2.96Å; S134-I137 VanDerWaalsContact O-N 3.16Å; S134-I137 VanDerWaalsContact O-O 3.11Å
135P95Very high90.2Very high7 Ų731 Ų315%0.04515%0.149CC..THydrogen-bonded Turntrans-65.1-8.9176.232.7-41.9000113.4L53 Q57 K216L53-P135 HydrophobicContact CD2-CB 4.31Å; L53-P135 HydrophobicContact CD2-CG 3.45Å; L53-P135 VanDerWaalsContact CD2-CG 3.45Å; Q57-P135 HydrophobicContact CB-CB 4.29Å; Q57-P135 HydrophobicContact CG-CB 4.06Å; P135-K216 WeakPolarHBondContact O-CE 3.36Å; P135-K216 WeakPolarHBondContact O-CG 3.32Å
136Y96.5Very high90.3Very high42 Ų4230.1 Ų30.117%0.16515%0.148CC..THydrogen-bonded Turntrans-1104.3-179.4-51.1-65.7000113.1Q57 S134 A183 N186 K216 L217Q57-Y136 PolarHBondContact NE2-OH 3.48Å; S134-Y136 PolarHBondContact O-N 3.1Å; S134-Y136 PolarHBondContact OG-N 3.11Å; Y136-A183 HydrophobicContact CD1-CB 3.83Å; Y136-A183 HydrophobicContact CE1-CB 4.25Å; Y136-N186 HydrophobicContact CD1-CB 4.37Å; Y136-N186 HydrophobicContact CD2-CB 3.35Å; Y136-N186 HydrophobicContact CE1-CB 4.34Å; Y136-N186 HydrophobicContact CE2-CB 3.32Å; Y136-N186 HydrophobicContact CG-CB 3.89Å; Y136-K216 CarbonylContact O-C 3.47Å; Y136-K216 VanDerWaalsContact O-CA 3.32Å; Y136-K216 WeakPolarHBondContact O-CA 3.49Å; Y136-L217 PolarHBondContact O-N 2.89Å
137I95.6Very high90.2Very high2 Ų237.2 Ų37.21%0.0119%0.186CC..BIsolated β-bridgetrans-124.8137178.7-54-63000109.5C132 S134 G139 Y190 L191 L217 F220C132-I137 VanDerWaalsContact SG-CG2 3.5Å; S134-I137 PolarHBondContact O-N 2.96Å; S134-I137 VanDerWaalsContact O-N 3.16Å; S134-I137 VanDerWaalsContact O-O 3.11Å; I137-G139 PolarHBondContact O-N 3.04Å; I137-Y190 HydrophobicContact CG1-CD1 3.82Å; I137-Y190 HydrophobicContact CG1-CE1 4.24Å; I137-L191 HydrophobicContact CD1-CD1 3.96Å; I137-L191 HydrophobicContact CD1-CD2 3.96Å; I137-L191 HydrophobicContact CD1-CG 3.76Å; I137-L191 HydrophobicContact CG1-CD2 4.4Å; I137-L217 HydrophobicContact CD1-CB 4.02Å; I137-L217 HydrophobicContact CD1-CD1 4.29Å; I137-F220 HydrophobicContact CG2-CD1 4.22Å; I137-F220 HydrophobicContact CG2-CE1 3.32Å; I137-F220 HydrophobicContact CG2-CZ 3.74Å
138V95.8Very high90.2Very high9 Ų931.9 Ų31.96%0.05517%0.169CC..  trans-62.6122.2-179.6171.10000110.2M154 E155 M157 L208 K216 L217 C218V138-M154 HydrophobicContact CG1-CB 4Å; V138-E155 WeakPolarHBondContact CA-OE1 3.17Å; V138-E155 HydrophobicContact CB-CG 4.48Å; V138-E155 HydrophobicContact CG1-CG 3.71Å; V138-M157 HydrophobicContact CG2-CG 4.33Å; V138-L208 HydrophobicContact CG2-CB 4.35Å; V138-L208 HydrophobicContact CG2-CD1 3.94Å; V138-L208 HydrophobicContact CG2-CG 4.28Å; V138-K216 HydrophobicContact CG2-CB 3.59Å; V138-L217 WeakPolarHBondContact CG2-O 3.34Å; V138-L217 PolarHBondContact N-O 3.36Å; V138-C218 HydrophobicContact CB-CB 3.99Å; V138-C218 HydrophobicContact CG1-CB 4.42Å; V138-C218 HydrophobicContact CG2-CB 3.79Å
139G94.4Very high90.5Very high4 Ų431.7 Ų31.74%0.04116%0.164CC..  trans-58.9136.8-179.100000112.4I137 M154 E155I137-G139 PolarHBondContact O-N 3.04Å; G139-M154 CarbonylContact O-C 3.54Å; G139-M154 VanDerWaalsContact O-CA 3.28Å; G139-M154 WeakPolarHBondContact O-CA 3.3Å; G139-E155 PolarHBondContact N-OE1 2.93Å; G139-E155 PolarHBondContact O-N 3.05Å
140F94.2Very high90.7Very high7 Ų731.1 Ų31.13%0.03116%0.161CC..EExtended strand (participates in β ladder)trans-111.4121.3-179-176.7-107.1000112W64 K68 L129 H130 G142 A143 M152 M154W64-F140 VanDerWaalsContact CZ2-N 3.31Å; K68-F140 VanDerWaalsContact CE-O 3.3Å; K68-F140 WeakPolarHBondContact CE-O 3.37Å; K68-F140 PolarHBondContact NZ-O 2.7Å; K68-F140 VanDerWaalsContact NZ-O 3.07Å; L129-F140 HydrophobicContact CB-CB 3.96Å; L129-F140 HydrophobicContact CB-CD1 3.41Å; L129-F140 VanDerWaalsContact CB-CD1 3.41Å; L129-F140 HydrophobicContact CB-CD2 3.99Å; L129-F140 HydrophobicContact CB-CE1 3.71Å; L129-F140 HydrophobicContact CB-CE2 4.28Å; L129-F140 HydrophobicContact CB-CG 3.53Å; L129-F140 HydrophobicContact CB-CZ 4.12Å; L129-F140 HydrophobicContact CD1-CD2 3.92Å; L129-F140 HydrophobicContact CD1-CE1 4.47Å; L129-F140 HydrophobicContact CD1-CE2 3.76Å; L129-F140 HydrophobicContact CD1-CG 4.34Å; L129-F140 HydrophobicContact CD1-CZ 4.02Å; H130-F140 HydrophobicContact CB-CD1 4.36Å; H130-F140 AromaticContact ND1-CD1 3.64Å; H130-F140 AromaticContact ND1-CE1 3.88Å; F140-G142 WeakPolarHBondContact CE2-O 3.37Å; F140-G142 WeakPolarHBondContact CZ-O 3.16Å; F140-A143 HydrophobicContact CE2-CB 4.31Å; F140-A143 HydrophobicContact CZ-CB 3.72Å; F140-M152 HydrophobicContact CE2-CB 4.35Å; F140-M152 HydrophobicContact CE2-CE 4.11Å; F140-M154 HydrophobicContact CD2-CG 4.18Å
141Y94.1Very high91.1Very high8 Ų827.8 Ų27.83%0.03115%0.146CC..EExtended strand (participates in β ladder)trans-87-28.7175.6-71.3-65.8000113W64 K68 I71 I103 M105 H130 C153W64-Y141 HydrophobicContact CE3-CE1 4.49Å; W64-Y141 AromaticContact CH2-CD1 3.9Å; W64-Y141 HydrophobicContact CH2-CD1 3.9Å; W64-Y141 AromaticContact CH2-CD2 3.98Å; W64-Y141 HydrophobicContact CH2-CD2 3.98Å; W64-Y141 AromaticContact CH2-CE1 3.65Å; W64-Y141 HydrophobicContact CH2-CE1 3.65Å; W64-Y141 AromaticContact CH2-CE2 3.75Å; W64-Y141 HydrophobicContact CH2-CE2 3.75Å; W64-Y141 HydrophobicContact CH2-CG 4.05Å; W64-Y141 AromaticContact CH2-CZ 3.58Å; W64-Y141 HydrophobicContact CZ2-CE1 4.47Å; W64-Y141 HydrophobicContact CZ3-CD1 4.38Å; W64-Y141 HydrophobicContact CZ3-CD2 4.38Å; W64-Y141 AromaticContact CZ3-CE1 3.67Å; W64-Y141 HydrophobicContact CZ3-CE1 3.67Å; W64-Y141 AromaticContact CZ3-CE2 3.67Å; W64-Y141 HydrophobicContact CZ3-CE2 3.67Å; W64-Y141 AromaticContact CZ3-CZ 3.27Å; W64-Y141 VanDerWaalsContact CZ3-OH 3.32Å; W64-Y141 WeakPolarHBondContact CZ3-OH 3.42Å; K68-Y141 HydrophobicContact CB-CD1 4.3Å; K68-Y141 HydrophobicContact CB-CE1 4.23Å; K68-Y141 HydrophobicContact CG-CD1 4.27Å; I71-Y141 HydrophobicContact CG1-CD1 3.72Å; I71-Y141 HydrophobicContact CG1-CE1 4Å; I103-Y141 HydrophobicContact CG2-CE1 4.47Å; I103-Y141 HydrophobicContact CG2-CE2 4.27Å; I103-Y141 WeakPolarHBondContact CG2-OH 2.88Å; M105-Y141 HydrophobicContact CB-CD2 4.32Å; M105-Y141 HydrophobicContact CB-CE2 4.38Å; M105-Y141 HydrophobicContact CE-CD1 4.34Å; M105-Y141 HydrophobicContact CE-CD2 4.04Å; M105-Y141 HydrophobicContact CE-CE2 4.27Å; M105-Y141 HydrophobicContact CE-CG 4.07Å; M105-Y141 HydrophobicContact CG-CD2 3.72Å; M105-Y141 HydrophobicContact CG-CE2 3.68Å; M105-Y141 HydrophobicContact SD-CD2 3.79Å; M105-Y141 HydrophobicContact SD-CE2 4.28Å; M105-Y141 HydrophobicContact SD-CG 4.18Å; H130-Y141 PolarHBondContact CE1-O 3.4Å; Y141-C153 WeakPolarHBondContact CB-O 3.04Å; Y141-C153 PolarHBondContact N-O 3.07Å
142G92.8Very high91.5Very high8 Ų824.2 Ų24.28%0.08213%0.132CC..EExtended strand (participates in β ladder)trans149.6171.9179.300000113.3F140 C153F140-G142 WeakPolarHBondContact CE2-O 3.37Å; F140-G142 WeakPolarHBondContact CZ-O 3.16Å; G142-C153 PolarHBondContact N-O 3.27Å; G142-C153 PolarHBondContact O-N 3.39Å
143A91.8Very high91.9Very high26 Ų2624.1 Ų24.122%0.21513%0.131CC..EExtended strand (participates in β ladder)trans-137.1145.1174.700000110.9L126 F140 S151 M152L126-A143 HydrophobicContact CB-CB 4.33Å; L126-A143 HydrophobicContact CD1-CB 4Å; F140-A143 HydrophobicContact CE2-CB 4.31Å; F140-A143 HydrophobicContact CZ-CB 3.72Å; A143-S151 CarbonylContact C-O 3.58Å; A143-S151 WeakPolarHBondContact CA-O 3.44Å; A143-S151 WeakPolarHBondContact CB-O 3.14Å; A143-M152 HydrophobicContact CB-CG 4.17Å
144F91.6Very high92.1Very high23 Ų2324.9 Ų24.910%0.10114%0.135CC..EExtended strand (participates in β ladder)trans-144.4166.9177.463.3-87.7000109.8L74 G76 L79 S151L74-F144 HydrophobicContact CB-CD1 3.83Å; L74-F144 HydrophobicContact CB-CE1 4.16Å; G76-F144 VanDerWaalsContact CA-CE2 3.49Å; G76-F144 VanDerWaalsContact CA-CZ 3.49Å; L79-F144 HydrophobicContact CD1-CE1 3.87Å; L79-F144 HydrophobicContact CD1-CZ 3.81Å; F144-S151 VanDerWaalsContact CZ-CB 3.43Å; F144-S151 PolarHBondContact N-O 3.25Å; F144-S151 PolarHBondContact O-N 3.03Å
145Y89.9Confident92.3Very high79 Ų7925.6 Ų25.631%0.3114%0.138SC..EExtended strand (participates in β ladder)trans-116.6132.9175.6170.5-90.2000110.2R119 G148 E149 I150R119-Y145 HydrophobicContact CG-CD2 4.01Å; R119-Y145 HydrophobicContact CG-CE2 4.42Å; R119-Y145 HydrophobicContact CG-CG 4.32Å; R119-Y145 PolarHBondContact NH1-OH 3.1Å; R119-Y145 PolarHBondContact NH2-OH 3.06Å; R119-Y145 VanDerWaalsContact NH2-OH 3.1Å; Y145-G148 VanDerWaalsContact CE2-C 3.42Å; Y145-G148 WeakPolarHBondContact OH-CA 3.42Å; Y145-G148 PolarHBondContact OH-N 2.99Å; Y145-E149 WeakPolarHBondContact CA-O 3.28Å; Y145-E149 VanDerWaalsContact CD2-O 3.23Å; Y145-E149 WeakPolarHBondContact CD2-O 3.43Å; Y145-I150 HydrophobicContact CD2-CG1 4.18Å
146S88.6Confident92.4Very high31 Ų3128 Ų2822%0.21715%0.147CC..EExtended strand (participates in β ladder)trans-154.4140-179.7157.50000108.3G148 E149S146-G148 VanDerWaalsContact C-N 3.3Å; S146-G148 PolarHBondContact O-N 2.99Å; S146-G148 VanDerWaalsContact O-N 3.09Å; S146-E149 PolarHBondContact N-O 3.49Å; S146-E149 VanDerWaalsContact N-O 3.08Å; S146-E149 PolarHBondContact O-N 3.13Å; S146-E149 VanDerWaalsContact O-O 3.09Å
147D85.7Confident92.4Very high153 Ų15326.3 Ų26.382%0.81814%0.14SC*.THydrogen-bonded Turntrans51.736.6171.1-55.2-31.1000116.7
148G83.9Confident92.4Very high21 Ų2128.6 Ų28.622%0.21615%0.153CC..THydrogen-bonded Turntrans91.9-5.6179.300000114.4Y145 S146Y145-G148 VanDerWaalsContact CE2-C 3.42Å; Y145-G148 WeakPolarHBondContact OH-CA 3.42Å; Y145-G148 PolarHBondContact OH-N 2.99Å; S146-G148 VanDerWaalsContact C-N 3.3Å; S146-G148 PolarHBondContact O-N 2.99Å; S146-G148 VanDerWaalsContact O-N 3.09Å
149E88.9Confident92.4Very high62 Ų6228.5 Ų28.529%0.2915%0.153SC..EExtended strand (participates in β ladder)trans-124.7143.5-169.9-57.1-172.4145.600112L109 H111 Y145 S146L109-E149 WeakPolarHBondContact CD2-OE2 3.42Å; H111-E149 HydrophobicContact CB-CG 4.48Å; H111-E149 IonicContact ND1-OE1 3.59Å; Y145-E149 WeakPolarHBondContact CA-O 3.28Å; Y145-E149 VanDerWaalsContact CD2-O 3.23Å; Y145-E149 WeakPolarHBondContact CD2-O 3.43Å; S146-E149 PolarHBondContact N-O 3.49Å; S146-E149 VanDerWaalsContact N-O 3.08Å; S146-E149 PolarHBondContact O-N 3.13Å; S146-E149 VanDerWaalsContact O-O 3.09Å
150I89.6Confident92.3Very high2 Ų230.3 Ų30.31%0.0116%0.161CC..EExtended strand (participates in β ladder)trans-86123.5166.5-61.4-175.7000107.6I110 L112 I122 L126 Y145 M152I110-I150 HydrophobicContact CB-CB 4.46Å; I110-I150 PolarHBondContact N-O 3.33Å; I110-I150 PolarHBondContact O-N 2.65Å; L112-I150 HydrophobicContact CD1-CD1 3.52Å; L112-I150 HydrophobicContact CD1-CG1 4.04Å; I122-I150 HydrophobicContact CB-CD1 4.15Å; I122-I150 HydrophobicContact CD1-CD1 4.44Å; I122-I150 HydrophobicContact CG2-CD1 3.58Å; L126-I150 HydrophobicContact CD1-CG2 4.03Å; Y145-I150 HydrophobicContact CD2-CG1 4.18Å; I150-M152 HydrophobicContact CG2-CG 4.44Å
151S92.3Very high92.4Very high0 Ų030.6 Ų30.60%016%0.164CC..EExtended strand (participates in β ladder)trans-103.3124.7174.8-69.70000110.1R107 K108 A143 F144R107-S151 PolarHBondContact NE-OG 3.42Å; R107-S151 PolarHBondContact NH2-OG 2.8Å; K108-S151 WeakPolarHBondContact O-CA 3.45Å; A143-S151 CarbonylContact C-O 3.58Å; A143-S151 WeakPolarHBondContact CA-O 3.44Å; A143-S151 WeakPolarHBondContact CB-O 3.14Å; F144-S151 VanDerWaalsContact CZ-CB 3.43Å; F144-S151 PolarHBondContact N-O 3.25Å; F144-S151 PolarHBondContact O-N 3.03Å
152M91.9Very high92.5Very high13 Ų1330.2 Ų30.26%0.06416%0.163CC..EExtended strand (participates in β ladder)trans-111.4121.8173-63.7175.861.700109.2R107 K108 I110 L126 L129 F140 A143 I150R107-M152 CarbonylContact C-O 3.5Å; R107-M152 WeakPolarHBondContact CA-O 3.36Å; K108-M152 HydrophobicContact CB-CB 4.39Å; K108-M152 PolarHBondContact N-O 3.41Å; K108-M152 PolarHBondContact O-N 3.43Å; I110-M152 HydrophobicContact CD1-SD 3.76Å; L126-M152 HydrophobicContact CD1-CG 4.21Å; L126-M152 HydrophobicContact CD1-SD 4.21Å; L126-M152 HydrophobicContact CD2-CE 3.92Å; L126-M152 HydrophobicContact CD2-SD 4.17Å; L129-M152 HydrophobicContact CD1-CE 3.71Å; F140-M152 HydrophobicContact CE2-CB 4.35Å; F140-M152 HydrophobicContact CE2-CE 4.11Å; A143-M152 HydrophobicContact CB-CG 4.17Å; I150-M152 HydrophobicContact CG2-CG 4.44Å
153C95.1Very high92.6Very high0 Ų031.8 Ų31.80%017%0.169CC..EExtended strand (participates in β ladder)trans-103.5123.4177.5-61.50000110L74 M105 A106 Y141 G142L74-C153 HydrophobicContact CD1-CB 3.61Å; M105-C153 HydrophobicContact SD-CB 3.95Å; A106-C153 WeakPolarHBondContact O-CA 3.26Å; Y141-C153 WeakPolarHBondContact CB-O 3.04Å; Y141-C153 PolarHBondContact N-O 3.07Å; G142-C153 PolarHBondContact N-O 3.27Å; G142-C153 PolarHBondContact O-N 3.39Å
154M95.1Very high92.6Very high21 Ų2132.1 Ų32.110%0.10317%0.167CC..EExtended strand (participates in β ladder)trans-128.9163.7-173.6-63.1171.5-67.700110.3M105 A106 K108 V138 G139 F140M105-M154 WeakPolarHBondContact CA-O 3.48Å; M105-M154 WeakPolarHBondContact CB-O 3.34Å; A106-M154 PolarHBondContact N-O 2.83Å; A106-M154 PolarHBondContact O-N 2.56Å; K108-M154 HydrophobicContact CB-CE 3.81Å; K108-M154 HydrophobicContact CD-CE 4.44Å; V138-M154 HydrophobicContact CG1-CB 4Å; G139-M154 CarbonylContact O-C 3.54Å; G139-M154 VanDerWaalsContact O-CA 3.28Å; G139-M154 WeakPolarHBondContact O-CA 3.3Å; F140-M154 HydrophobicContact CD2-CG 4.18Å
155E95.6Very high92.8Very high20 Ų2031.2 Ų31.29%0.09316%0.164CC..EExtended strand (participates in β ladder)trans-57.1140.8170.778-179.2151.800110.7W64 V138 G139 M157 K216W64-E155 HydrophobicContact CE3-CB 4.21Å; W64-E155 HydrophobicContact CH2-CB 3.93Å; W64-E155 HydrophobicContact CZ3-CB 3.42Å; W64-E155 VanDerWaalsContact CZ3-CB 3.42Å; V138-E155 WeakPolarHBondContact CA-OE1 3.17Å; V138-E155 HydrophobicContact CB-CG 4.48Å; V138-E155 HydrophobicContact CG1-CG 3.71Å; G139-E155 PolarHBondContact N-OE1 2.93Å; G139-E155 PolarHBondContact O-N 3.05Å; E155-M157 HydrophobicContact CG-CG 4.27Å; E155-M157 HydrophobicContact CG-SD 4.04Å; E155-K216 WeakPolarHBondContact OE1-CD 3.22Å; E155-K216 WeakPolarHBondContact OE1-CE 3.49Å; E155-K216 IonicContact OE1-NZ 3.07Å; E155-K216 PolarHBondContact OE1-NZ 3.06Å; E155-K216 IonicContact OE2-NZ 2.63Å; E155-K216 PolarHBondContact OE2-NZ 2.94Å
156Y96.9Very high93Very high58 Ų5828.1 Ų28.123%0.22715%0.152CC..  trans-87.2116.6177.8173.1-117.8000110.2L85 K95 I104 D158 L160L85-Y156 HydrophobicContact CD1-CD2 3.79Å; L85-Y156 HydrophobicContact CD1-CE2 3.68Å; L85-Y156 HydrophobicContact CD2-CE2 3.73Å; L85-Y156 HydrophobicContact CG-CE2 4.38Å; K95-Y156 HydrophobicContact CD-CE1 4.15Å; K95-Y156 HydrophobicContact CD-CE2 4.18Å; K95-Y156 VanDerWaalsContact CE-CE1 3.47Å; K95-Y156 HydrophobicContact CG-CD2 4.46Å; K95-Y156 HydrophobicContact CG-CE2 4.36Å; K95-Y156 PolarHBondContact NZ-OH 3.24Å; I104-Y156 HydrophobicContact CG2-CD1 3.72Å; I104-Y156 HydrophobicContact CG2-CE1 4.43Å; I104-Y156 HydrophobicContact CG2-CG 3.99Å; Y156-D158 HydrophobicContact CD1-CB 4.35Å; Y156-D158 HydrophobicContact CE1-CB 3.65Å; Y156-L160 HydrophobicContact CE2-CD2 4.42Å
157M96.8Very high93.2Very high5 Ų532.7 Ų32.73%0.02517%0.168CC..  trans-96.5101175.9-60.8-65.7-75.600109.1V138 E155 G159 L160 L208 N210 E214 K216V138-M157 HydrophobicContact CG2-CG 4.33Å; E155-M157 HydrophobicContact CG-CG 4.27Å; E155-M157 HydrophobicContact CG-SD 4.04Å; M157-G159 VanDerWaalsContact C-N 3.25Å; M157-G159 PolarHBondContact O-N 2.51Å; M157-L160 PolarHBondContact O-N 3.31Å; M157-L208 HydrophobicContact CB-CB 3.75Å; M157-L208 HydrophobicContact CB-CD1 4Å; M157-L208 HydrophobicContact CB-CG 4.5Å; M157-L208 HydrophobicContact CE-CB 4.32Å; M157-L208 HydrophobicContact CG-CB 3.72Å; M157-L208 HydrophobicContact CG-CD1 3.84Å; M157-L208 HydrophobicContact CG-CG 4.44Å; M157-N210 HydrophobicContact CE-CB 3.93Å; M157-N210 HydrophobicContact SD-CB 4.18Å; M157-E214 HydrophobicContact CE-CB 4.26Å; M157-K216 HydrophobicContact CE-CB 4.09Å; M157-K216 HydrophobicContact CE-CD 3.95Å; M157-K216 HydrophobicContact CE-CG 3.98Å; M157-K216 HydrophobicContact SD-CD 4.13Å
158D95.3Very high93.5Very high51 Ų5127.5 Ų27.527%0.27314%0.139SC..THydrogen-bonded Turntrans-69.4-15.7-170.566.2-17.3000115Y156 L160 N210 S211Y156-D158 HydrophobicContact CD1-CB 4.35Å; Y156-D158 HydrophobicContact CE1-CB 3.65Å; D158-L160 VanDerWaalsContact C-N 3.32Å; D158-N210 WeakPolarHBondContact OD1-CA 3.27Å; D158-N210 WeakPolarHBondContact OD1-CB 3.33Å; D158-S211 PolarHBondContact OD1-N 3.02Å; D158-S211 PolarHBondContact OD1-OG 2.76Å; D158-S211 WeakPolarHBondContact OD2-CB 3.48Å; D158-S211 PolarHBondContact OD2-OG 3.23Å
159G95.3Very high93.9Very high6 Ų628.1 Ų28.16%0.06214%0.138CC..THydrogen-bonded Turntrans-84.2-4.9169.900000114.1M157 V165 V209M157-G159 VanDerWaalsContact C-N 3.25Å; M157-G159 PolarHBondContact O-N 2.51Å; G159-V165 WeakPolarHBondContact O-CG2 3.4Å; G159-V209 CarbonylContact C-O 3.44Å; G159-V209 WeakPolarHBondContact CA-O 3.28Å; G159-V209 PolarHBondContact N-O 2.89Å
160L93.9Very high94Very high42 Ų4227 Ų2722%0.2214%0.143CC..  trans58.5-159.9-179.7-50.3177.4000112.7L85 Y156 M157 D158 I164 L208 V209L85-L160 HydrophobicContact CD2-CD2 4.01Å; Y156-L160 HydrophobicContact CE2-CD2 4.42Å; M157-L160 PolarHBondContact O-N 3.31Å; D158-L160 VanDerWaalsContact C-N 3.32Å; L160-I164 HydrophobicContact CB-CD1 4.04Å; L160-I164 HydrophobicContact CD1-CD1 4Å; L160-I164 HydrophobicContact CD1-CG2 4.1Å; L160-L208 CarbonylContact O-C 3.56Å; L160-L208 WeakPolarHBondContact O-CA 3.24Å; L160-V209 PolarHBondContact N-O 2.92Å; L160-V209 PolarHBondContact O-N 3.24Å
161S95.4Very high94.3Very high13 Ų1331.6 Ų31.69%0.09116%0.16CC..BIsolated β-bridgetrans-86.1153.5-176.951.20000112.9D163 I164 V165 S205 I207S161-D163 WeakPolarHBondContact CB-OD1 3.48Å; S161-D163 PolarHBondContact O-N 3.09Å; S161-D163 PolarHBondContact OG-OD1 3.31Å; S161-I164 WeakPolarHBondContact O-CB 3.49Å; S161-I164 PolarHBondContact O-N 3.23Å; S161-I164 WeakPolarHBondContact OG-CD1 3.32Å; S161-V165 PolarHBondContact O-N 2.82Å; S161-V165 VanDerWaalsContact O-N 3.07Å; S161-S205 WeakPolarHBondContact CB-O 3.47Å; S161-I207 CarbonylContact C-O 3.31Å; S161-I207 WeakPolarHBondContact CA-O 3.49Å
162L96.9Very high94.5Very high0 Ų031.7 Ų31.70%016%0.161CC..Hα-helixtrans-64.3-24.8-176.7-67-171.6000113.8V165 L166 F172 I180 P204 I207 V209 L267L162-V165 PolarHBondContact O-N 2.72Å; L162-L166 VanDerWaalsContact O-CB 3.28Å; L162-L166 WeakPolarHBondContact O-CB 3.1Å; L162-L166 PolarHBondContact O-N 2.93Å; L162-F172 HydrophobicContact CB-CE2 4.47Å; L162-F172 HydrophobicContact CB-CZ 4.4Å; L162-F172 HydrophobicContact CD1-CE2 4.3Å; L162-F172 HydrophobicContact CD2-CE2 3.86Å; L162-F172 HydrophobicContact CD2-CZ 4.11Å; L162-F172 HydrophobicContact CG-CE2 4.43Å; L162-I180 HydrophobicContact CD1-CD1 3.75Å; L162-I180 HydrophobicContact CD1-CG1 4.12Å; L162-I180 HydrophobicContact CD1-CG2 3.9Å; L162-I180 HydrophobicContact CD2-CD1 4.43Å; L162-P204 HydrophobicContact CB-CB 4.09Å; L162-P204 WeakPolarHBondContact CB-O 3.46Å; L162-P204 PolarHBondContact N-O 2.92Å; L162-I207 HydrophobicContact CD1-CB 3.82Å; L162-I207 HydrophobicContact CD1-CD1 4.18Å; L162-I207 HydrophobicContact CD1-CG2 3.51Å; L162-I207 HydrophobicContact CG-CB 3.96Å; L162-I207 HydrophobicContact CG-CG2 3.86Å; L162-I207 WeakPolarHBondContact CG-O 3.36Å; L162-I207 PolarHBondContact N-O 3.32Å; L162-V209 HydrophobicContact CD2-CG1 3.56Å; L162-V209 HydrophobicContact CD2-CG2 4.23Å; L162-V209 HydrophobicContact CG-CG1 4.48Å; L162-L267 HydrophobicContact CB-CD2 4.11Å; L162-L267 HydrophobicContact CD1-CD1 3.85Å
163D94Very high94.7Very high41 Ų4133.7 Ų33.722%0.21918%0.179CC..Hα-helixtrans-67.1-36.2172.771.4-49.8000112.1S161 K167 P204 S205S161-D163 WeakPolarHBondContact CB-OD1 3.48Å; S161-D163 PolarHBondContact O-N 3.09Å; S161-D163 PolarHBondContact OG-OD1 3.31Å; D163-K167 WeakPolarHBondContact O-CG 3.37Å; D163-K167 PolarHBondContact O-N 3.1Å; D163-P204 HydrophobicContact CB-CB 4.04Å; D163-P204 PolarHBondContact N-O 3.1Å; D163-S205 VanDerWaalsContact OD1-CA 3.29Å; D163-S205 WeakPolarHBondContact OD1-CA 3.49Å
164I93.2Very high94.8Very high33 Ų3335.2 Ų35.217%0.16919%0.186CC..Hα-helixtrans-69.4-43.6173.5-64.5174.4000109.6L160 S161 L166 K167 K168 L417L160-I164 HydrophobicContact CB-CD1 4.04Å; L160-I164 HydrophobicContact CD1-CD1 4Å; L160-I164 HydrophobicContact CD1-CG2 4.1Å; S161-I164 WeakPolarHBondContact O-CB 3.49Å; S161-I164 PolarHBondContact O-N 3.23Å; S161-I164 WeakPolarHBondContact OG-CD1 3.32Å; I164-L166 VanDerWaalsContact C-N 3.3Å; I164-L166 PolarHBondContact O-N 2.98Å; I164-K167 PolarHBondContact O-N 2.87Å; I164-K168 PolarHBondContact O-N 3.35Å; I164-L417 HydrophobicContact CG2-CD2 4.43Å
165V94.8Very high94.9Very high5 Ų539.3 Ų39.33%0.0321%0.205CC..Hα-helixtrans-62.3-39.2176.4-178.90000111G159 S161 L162 K167 K168 T169 F172 V209 W408 M412G159-V165 WeakPolarHBondContact O-CG2 3.4Å; S161-V165 PolarHBondContact O-N 2.82Å; S161-V165 VanDerWaalsContact O-N 3.07Å; L162-V165 PolarHBondContact O-N 2.72Å; V165-K167 VanDerWaalsContact C-N 3.34Å; V165-K167 PolarHBondContact O-N 2.86Å; V165-K168 WeakPolarHBondContact O-CB 3.44Å; V165-K168 PolarHBondContact O-N 3.44Å; V165-T169 HydrophobicContact CG1-CG2 4.07Å; V165-T169 WeakPolarHBondContact O-CG2 3.37Å; V165-T169 PolarHBondContact O-N 3.42Å; V165-T169 PolarHBondContact O-OG1 2.89Å; V165-T169 VanDerWaalsContact O-OG1 3.13Å; V165-F172 HydrophobicContact CB-CE1 4.41Å; V165-F172 HydrophobicContact CB-CZ 3.95Å; V165-F172 HydrophobicContact CG1-CE1 3.93Å; V165-F172 HydrophobicContact CG1-CZ 3.66Å; V165-V209 HydrophobicContact CG2-CG2 4.07Å; V165-W408 HydrophobicContact CG1-CH2 3.58Å; V165-W408 HydrophobicContact CG1-CZ2 4.09Å; V165-W408 HydrophobicContact CG1-CZ3 4.24Å; V165-M412 HydrophobicContact CG1-CB 4.27Å; V165-M412 HydrophobicContact CG1-CG 4.06Å
166L95.2Very high95Very high13 Ų1338.8 Ų38.87%0.06820%0.203CC..Hα-helixtrans-58.6-42.2175.9-169.965.1000112.5L162 I164 K168 T169 G170 F172 E266 L267L162-L166 VanDerWaalsContact O-CB 3.28Å; L162-L166 WeakPolarHBondContact O-CB 3.1Å; L162-L166 PolarHBondContact O-N 2.93Å; I164-L166 VanDerWaalsContact C-N 3.3Å; I164-L166 PolarHBondContact O-N 2.98Å; L166-K168 PolarHBondContact O-N 3.28Å; L166-T169 PolarHBondContact O-N 3.13Å; L166-T169 PolarHBondContact O-OG1 2.88Å; L166-G170 WeakPolarHBondContact CD1-O 3.34Å; L166-G170 WeakPolarHBondContact O-CA 3.44Å; L166-G170 PolarHBondContact O-N 3.1Å; L166-F172 HydrophobicContact CB-CE1 4.17Å; L166-F172 HydrophobicContact CD1-CD1 3.85Å; L166-F172 HydrophobicContact CD1-CE1 3.86Å; L166-E266 HydrophobicContact CD2-CG 3.96Å; L166-L267 HydrophobicContact CB-CD2 4.24Å; L166-L267 HydrophobicContact CD1-CD2 4.07Å; L166-L267 HydrophobicContact CD2-CD2 4.24Å; L166-L267 HydrophobicContact CG-CD2 4.42Å
167K92.8Very high95.1Very high128 Ų12836 Ų3656%0.55719%0.192SC*.Hα-helixtrans-61.3-29.1175.4-69.3170.8-176.2173.10112.8D163 I164 V165 L417 P418D163-K167 WeakPolarHBondContact O-CG 3.37Å; D163-K167 PolarHBondContact O-N 3.1Å; I164-K167 PolarHBondContact O-N 2.87Å; V165-K167 VanDerWaalsContact C-N 3.34Å; V165-K167 PolarHBondContact O-N 2.86Å; K167-L417 HydrophobicContact CB-CD2 3.98Å; K167-P418 WeakPolarHBondContact O-CD 3.31Å; K167-P418 VanDerWaalsContact O-CG 3.28Å; K167-P418 WeakPolarHBondContact O-CG 3.39Å
168K91.2Very high95.1Very high44 Ų4435.8 Ų35.819%0.19119%0.191CC..Hα-helixtrans-85.7-31.3179.2-61.7-173.8-178.3-159.90113.6I164 V165 L166 M412 R415 L417I164-K168 PolarHBondContact O-N 3.35Å; V165-K168 WeakPolarHBondContact O-CB 3.44Å; V165-K168 PolarHBondContact O-N 3.44Å; L166-K168 PolarHBondContact O-N 3.28Å; K168-M412 WeakPolarHBondContact CD-O 3.21Å; K168-M412 PolarHBondContact NZ-O 3.41Å; K168-R415 HydrophobicContact CD-CB 4.37Å; K168-R415 WeakPolarHBondContact CE-O 3.26Å; K168-R415 PolarHBondContact NZ-O 3.37Å; K168-L417 HydrophobicContact CG-CD2 3.82Å
169T91.2Very high95.3Very high33 Ų3335.5 Ų35.520%0.20219%0.187CC..Hα-helixtrans-96.8-25.1-176.156.80000113.2V165 L166 R171 F172 W408 M412V165-T169 HydrophobicContact CG1-CG2 4.07Å; V165-T169 WeakPolarHBondContact O-CG2 3.37Å; V165-T169 PolarHBondContact O-N 3.42Å; V165-T169 PolarHBondContact O-OG1 2.89Å; V165-T169 VanDerWaalsContact O-OG1 3.13Å; L166-T169 PolarHBondContact O-N 3.13Å; L166-T169 PolarHBondContact O-OG1 2.88Å; T169-R171 PolarHBondContact O-N 3.5Å; T169-F172 HydrophobicContact CG2-CE1 4.39Å; T169-F172 WeakPolarHBondContact OG1-CD1 3.13Å; T169-F172 VanDerWaalsContact OG1-CE1 3.24Å; T169-F172 WeakPolarHBondContact OG1-CE1 3.48Å; T169-W408 HydrophobicContact CG2-CZ2 3.83Å; T169-M412 HydrophobicContact CG2-CE 4.32Å; T169-M412 HydrophobicContact CG2-CG 3.73Å; T169-M412 HydrophobicContact CG2-SD 3.18Å; T169-M412 WeakPolarHBondContact CG2-SD 3.34Å
170G92.4Very high95.4Very high39 Ų3935.2 Ų35.240%0.40219%0.185SC..SBendtrans75.9-54.4-167.200000112.1L166 G270L166-G170 WeakPolarHBondContact CD1-O 3.34Å; L166-G170 WeakPolarHBondContact O-CA 3.44Å; L166-G170 PolarHBondContact O-N 3.1Å; G170-G270 WeakPolarHBondContact O-CA 3.48Å
171R94.5Very high95.7Very high98 Ų9833.2 Ų33.237%0.3717%0.174SC..SBendtrans-143.4154.7-180-63.7-169.8-68.3124-3.3112T169 A268 I269 I285 F286T169-R171 PolarHBondContact O-N 3.5Å; R171-A268 WeakPolarHBondContact CD-O 3.39Å; R171-I269 WeakPolarHBondContact CD-O 3.19Å; R171-I285 VanDerWaalsContact CZ-O 3.25Å; R171-I285 PolarHBondContact NE-O 3.21Å; R171-I285 PolarHBondContact NH2-O 3.03Å; R171-I285 VanDerWaalsContact NH2-O 3.14Å; R171-F286 VanDerWaalsContact NH1-CD1 3.33Å; R171-F286 VanDerWaalsContact NH1-CE1 3.33Å
172F96.7Very high95.8Very high3 Ų333.8 Ų33.81%0.01318%0.176CC..  trans-101.1134.9176.6-7428.2000109.9L162 V165 L166 T169 I176 L177 I180 L267 W408L162-F172 HydrophobicContact CB-CE2 4.47Å; L162-F172 HydrophobicContact CB-CZ 4.4Å; L162-F172 HydrophobicContact CD1-CE2 4.3Å; L162-F172 HydrophobicContact CD2-CE2 3.86Å; L162-F172 HydrophobicContact CD2-CZ 4.11Å; L162-F172 HydrophobicContact CG-CE2 4.43Å; V165-F172 HydrophobicContact CB-CE1 4.41Å; V165-F172 HydrophobicContact CB-CZ 3.95Å; V165-F172 HydrophobicContact CG1-CE1 3.93Å; V165-F172 HydrophobicContact CG1-CZ 3.66Å; L166-F172 HydrophobicContact CB-CE1 4.17Å; L166-F172 HydrophobicContact CD1-CD1 3.85Å; L166-F172 HydrophobicContact CD1-CE1 3.86Å; T169-F172 HydrophobicContact CG2-CE1 4.39Å; T169-F172 WeakPolarHBondContact OG1-CD1 3.13Å; T169-F172 VanDerWaalsContact OG1-CE1 3.24Å; T169-F172 WeakPolarHBondContact OG1-CE1 3.48Å; F172-I176 HydrophobicContact CD2-CG2 3.95Å; F172-L177 HydrophobicContact CB-CD2 3.71Å; F172-L177 HydrophobicContact CB-CG 3.97Å; F172-L177 HydrophobicContact CD2-CD2 3.96Å; F172-L177 HydrophobicContact CG-CD2 4.29Å; F172-I180 HydrophobicContact CD2-CD1 3.61Å; F172-I180 HydrophobicContact CE2-CD1 3.66Å; F172-L267 HydrophobicContact CB-CB 4.4Å; F172-L267 HydrophobicContact CD1-CD2 4.48Å; F172-L267 HydrophobicContact CD2-CB 4.19Å; F172-L267 HydrophobicContact CD2-CD1 4.42Å; F172-L267 HydrophobicContact CD2-CD2 4.18Å; F172-L267 HydrophobicContact CE1-CD2 4.16Å; F172-L267 HydrophobicContact CE2-CD1 4.34Å; F172-L267 HydrophobicContact CE2-CD2 3.81Å; F172-L267 HydrophobicContact CE2-CG 4.5Å; F172-L267 HydrophobicContact CG-CB 4.22Å; F172-L267 HydrophobicContact CG-CD2 4.5Å; F172-L267 HydrophobicContact CZ-CD2 3.79Å; F172-L267 PolarHBondContact N-O 2.75Å; F172-W408 HydrophobicContact CD1-CH2 4.36Å; F172-W408 HydrophobicContact CD1-CZ2 4.22Å; F172-W408 AromaticContact CD2-CH2 3.95Å; F172-W408 HydrophobicContact CD2-CH2 3.95Å; F172-W408 HydrophobicContact CD2-CZ2 4.38Å; F172-W408 HydrophobicContact CE1-CH2 4.03Å; F172-W408 HydrophobicContact CE1-CZ2 4.17Å; F172-W408 AromaticContact CE2-CH2 3.61Å; F172-W408 HydrophobicContact CE2-CH2 3.61Å; F172-W408 HydrophobicContact CE2-CZ2 4.37Å; F172-W408 HydrophobicContact CG-CH2 4.33Å; F172-W408 HydrophobicContact CG-CZ2 4.33Å; F172-W408 AromaticContact CZ-CH2 3.67Å; F172-W408 HydrophobicContact CZ-CH2 3.67Å; F172-W408 HydrophobicContact CZ-CZ2 4.27Å
173A96.1Very high95.8Very high54 Ų5434 Ų3445%0.44618%0.178SC..  trans-66146.1170.700000110.1Q175 I176 L177A173-Q175 PolarHBondContact O-N 3.38Å; A173-I176 HydrophobicContact CB-CG1 4.27Å; A173-I176 WeakPolarHBondContact O-CA 3.25Å; A173-I176 WeakPolarHBondContact O-CB 3.31Å; A173-I176 PolarHBondContact O-N 3.07Å; A173-L177 PolarHBondContact O-N 2.99Å; A173-L177 VanDerWaalsContact O-N 3.1Å
174E97.3Very high96Very high32 Ų3232.2 Ų32.215%0.1517%0.168CC..Hα-helixtrans-54.9-40.4-177.9-169.1-177.9138.100112.7I176 L177 G178 M364 S365 F368 Y394 R397E174-I176 VanDerWaalsContact C-N 3.3Å; E174-I176 PolarHBondContact O-N 3.18Å; E174-L177 CarbonylContact O-C 3.55Å; E174-L177 WeakPolarHBondContact O-CA 3.49Å; E174-L177 WeakPolarHBondContact O-CB 3.23Å; E174-L177 PolarHBondContact O-N 3.23Å; E174-L177 VanDerWaalsContact O-N 3.08Å; E174-G178 PolarHBondContact O-N 3.47Å; E174-M364 HydrophobicContact CB-SD 4.19Å; E174-M364 WeakPolarHBondContact OE2-CB 3.32Å; E174-S365 WeakPolarHBondContact OE1-CB 3.43Å; E174-S365 PolarHBondContact OE1-OG 2.9Å; E174-S365 PolarHBondContact OE2-N 3.49Å; E174-F368 HydrophobicContact CG-CB 4.03Å; E174-F368 HydrophobicContact CG-CD2 4.33Å; E174-F368 HydrophobicContact CG-CG 4.04Å; E174-F368 WeakPolarHBondContact OE1-CB 3.37Å; E174-Y394 HydrophobicContact CG-CE2 3.97Å; E174-Y394 PolarHBondContact O-OH 3.37Å; E174-R397 IonicContact OE1-CZ 3.72Å; E174-R397 IonicContact OE1-NH1 2.88Å; E174-R397 IonicContact OE1-NH2 3.62Å; E174-R397 PolarHBondContact OE1-NH2 2.75Å
175Q97.1Very high96.3Very high108 Ų10830.6 Ų30.651%0.50516%0.16SC..Hα-helixtrans-52.6-43.3172.8-77.2168-8.400113.3A173 G178 K179 E401 I403A173-Q175 PolarHBondContact O-N 3.38Å; Q175-G178 PolarHBondContact O-N 2.88Å; Q175-K179 PolarHBondContact O-N 3.5Å; Q175-E401 WeakPolarHBondContact CG-OE2 3.45Å; Q175-I403 HydrophobicContact CB-CD1 3.47Å; Q175-I403 VanDerWaalsContact CB-CD1 3.47Å; Q175-I403 HydrophobicContact CB-CG1 4.18Å; Q175-I403 HydrophobicContact CG-CD1 4.03Å; Q175-I403 WeakPolarHBondContact O-CD1 3.36Å
176I98Very high96.4Very high9 Ų932.3 Ų32.35%0.04617%0.169CC..Hα-helixtrans-69.4-42.7177.3-61-62.8000110F172 A173 E174 G178 K179 I180 I403 F405 W408F172-I176 HydrophobicContact CD2-CG2 3.95Å; A173-I176 HydrophobicContact CB-CG1 4.27Å; A173-I176 WeakPolarHBondContact O-CA 3.25Å; A173-I176 WeakPolarHBondContact O-CB 3.31Å; A173-I176 PolarHBondContact O-N 3.07Å; E174-I176 VanDerWaalsContact C-N 3.3Å; E174-I176 PolarHBondContact O-N 3.18Å; I176-G178 PolarHBondContact O-N 3.29Å; I176-K179 PolarHBondContact O-N 3.19Å; I176-I180 HydrophobicContact CG2-CD1 3.97Å; I176-I180 WeakPolarHBondContact O-CG1 3.36Å; I176-I180 PolarHBondContact O-N 3.23Å; I176-I180 VanDerWaalsContact O-N 3.1Å; I176-I403 HydrophobicContact CD1-CG2 3.84Å; I176-F405 HydrophobicContact CD1-CD2 3.99Å; I176-F405 HydrophobicContact CG2-CD2 4.13Å; I176-F405 HydrophobicContact CG2-CE2 3.66Å; I176-W408 HydrophobicContact CD1-CB 4.23Å; I176-W408 HydrophobicContact CD1-CD2 3.9Å; I176-W408 HydrophobicContact CD1-CE3 4.21Å; I176-W408 HydrophobicContact CD1-CG 3.9Å; I176-W408 HydrophobicContact CG1-CD2 4.27Å; I176-W408 HydrophobicContact CG2-CD2 4.24Å; I176-W408 HydrophobicContact CG2-CE3 3.96Å; I176-W408 HydrophobicContact CG2-CH2 3.65Å; I176-W408 HydrophobicContact CG2-CZ2 3.92Å; I176-W408 HydrophobicContact CG2-CZ3 3.67Å
177L98.5Very high96.4Very high0 Ų031.7 Ų31.70%017%0.166CC..Hα-helixtrans-59.5-34.8174.6-62175.3000111.5F172 A173 E174 K179 I180 S181 L264 L267 A268 F368 Y394F172-L177 HydrophobicContact CB-CD2 3.71Å; F172-L177 HydrophobicContact CB-CG 3.97Å; F172-L177 HydrophobicContact CD2-CD2 3.96Å; F172-L177 HydrophobicContact CG-CD2 4.29Å; A173-L177 PolarHBondContact O-N 2.99Å; A173-L177 VanDerWaalsContact O-N 3.1Å; E174-L177 CarbonylContact O-C 3.55Å; E174-L177 WeakPolarHBondContact O-CA 3.49Å; E174-L177 WeakPolarHBondContact O-CB 3.23Å; E174-L177 PolarHBondContact O-N 3.23Å; E174-L177 VanDerWaalsContact O-N 3.08Å; L177-K179 PolarHBondContact O-N 2.88Å; L177-I180 HydrophobicContact CD2-CD1 4.35Å; L177-I180 PolarHBondContact O-N 3.33Å; L177-S181 WeakPolarHBondContact O-CB 3.4Å; L177-S181 PolarHBondContact O-N 3.11Å; L177-S181 PolarHBondContact O-OG 2.85Å; L177-L264 HydrophobicContact CB-CD2 4.28Å; L177-L264 HydrophobicContact CD2-CD2 4.1Å; L177-L267 HydrophobicContact CD2-CB 3.58Å; L177-L267 HydrophobicContact CD2-CD1 4.13Å; L177-A268 HydrophobicContact CD1-CB 3.74Å; L177-F368 HydrophobicContact CB-CE2 4.27Å; L177-F368 HydrophobicContact CD1-CE1 4.34Å; L177-F368 HydrophobicContact CD1-CE2 4.05Å; L177-F368 HydrophobicContact CD1-CZ 3.64Å; L177-Y394 VanDerWaalsContact C-OH 3.29Å
178G98.4Very high96.6Very high0 Ų025.6 Ų25.60%014%0.139CC..Hα-helixtrans-59.9-46.3176.700000112.4E174 Q175 I176 S181 I182 Y394 S398E174-G178 PolarHBondContact O-N 3.47Å; Q175-G178 PolarHBondContact O-N 2.88Å; I176-G178 PolarHBondContact O-N 3.29Å; G178-S181 PolarHBondContact O-N 2.74Å; G178-I182 WeakPolarHBondContact O-CG1 3.34Å; G178-I182 PolarHBondContact O-N 3.39Å; G178-Y394 WeakPolarHBondContact CA-OH 3.39Å; G178-Y394 PolarHBondContact N-OH 2.88Å; G178-S398 VanDerWaalsContact CA-OG 3.28Å; G178-S398 WeakPolarHBondContact CA-OG 3.49Å
179K98Very high96.8Very high45 Ų4525.6 Ų25.620%0.19614%0.14CC..Hα-helixtrans-65.1-40.4175.7-60.9-54-176-170.60112.1Q175 I176 L177 I182 A183 I215 S398 E401 I403 F405Q175-K179 PolarHBondContact O-N 3.5Å; I176-K179 PolarHBondContact O-N 3.19Å; L177-K179 PolarHBondContact O-N 2.88Å; K179-I182 HydrophobicContact CD-CD1 4.43Å; K179-I182 PolarHBondContact O-N 2.99Å; K179-A183 PolarHBondContact O-N 3.18Å; K179-A183 VanDerWaalsContact O-N 3.13Å; K179-I215 HydrophobicContact CB-CD1 4.18Å; K179-S398 PolarHBondContact NZ-O 3.02Å; K179-E401 WeakPolarHBondContact CE-O 3.42Å; K179-E401 PolarHBondContact NZ-O 2.74Å; K179-I403 HydrophobicContact CG-CD1 4.38Å; K179-F405 HydrophobicContact CB-CD2 3.98Å; K179-F405 HydrophobicContact CB-CE2 4.34Å; K179-F405 HydrophobicContact CG-CD2 4.4Å
180I98.6Very high96.9Very high0 Ų025.4 Ų25.40%014%0.136CC..Hα-helixtrans-60.9-45.6174.4-66.7160.9000110.5L162 F172 I176 L177 I182 A183 V184 I215 F405L162-I180 HydrophobicContact CD1-CD1 3.75Å; L162-I180 HydrophobicContact CD1-CG1 4.12Å; L162-I180 HydrophobicContact CD1-CG2 3.9Å; L162-I180 HydrophobicContact CD2-CD1 4.43Å; F172-I180 HydrophobicContact CD2-CD1 3.61Å; F172-I180 HydrophobicContact CE2-CD1 3.66Å; I176-I180 HydrophobicContact CG2-CD1 3.97Å; I176-I180 WeakPolarHBondContact O-CG1 3.36Å; I176-I180 PolarHBondContact O-N 3.23Å; I176-I180 VanDerWaalsContact O-N 3.1Å; L177-I180 HydrophobicContact CD2-CD1 4.35Å; L177-I180 PolarHBondContact O-N 3.33Å; I180-I182 PolarHBondContact O-N 3.46Å; I180-A183 PolarHBondContact O-N 2.98Å; I180-V184 HydrophobicContact CG2-CG2 4.06Å; I180-V184 WeakPolarHBondContact O-CG2 3.44Å; I180-V184 PolarHBondContact O-N 3.29Å; I180-I215 HydrophobicContact CG1-CD1 3.96Å; I180-F405 HydrophobicContact CD1-CE2 4.48Å; I180-F405 HydrophobicContact CG1-CE2 4.12Å; I180-F405 HydrophobicContact CG1-CZ 4.33Å
181S98.7Very high96.9Very high0 Ų023.6 Ų23.60%012%0.117CC..Hα-helixtrans-62.4-40.7179.6-59.40000113.3L177 G178 A183 L185 F260 I395L177-S181 WeakPolarHBondContact O-CB 3.4Å; L177-S181 PolarHBondContact O-N 3.11Å; L177-S181 PolarHBondContact O-OG 2.85Å; G178-S181 PolarHBondContact O-N 2.74Å; S181-A183 PolarHBondContact O-N 3.24Å; S181-L185 VanDerWaalsContact O-CB 3.32Å; S181-L185 WeakPolarHBondContact O-CB 3.37Å; S181-L185 VanDerWaalsContact O-CG 3.22Å; S181-L185 WeakPolarHBondContact O-CG 3.41Å; S181-L185 PolarHBondContact O-N 3.12Å; S181-F260 WeakPolarHBondContact OG-CZ 3.35Å; S181-I395 VanDerWaalsContact CB-CD1 3.5Å
182I97.8Very high96.7Very high24 Ų2422.6 Ų22.612%0.12312%0.115CC..Hα-helixtrans-59-49.9174-67.5161.9000109.9G178 K179 I180 N186 I395 K399G178-I182 WeakPolarHBondContact O-CG1 3.34Å; G178-I182 PolarHBondContact O-N 3.39Å; K179-I182 HydrophobicContact CD-CD1 4.43Å; K179-I182 PolarHBondContact O-N 2.99Å; I180-I182 PolarHBondContact O-N 3.46Å; I182-N186 PolarHBondContact O-N 3.07Å; I182-N186 VanDerWaalsContact O-N 3.11Å; I182-N186 PolarHBondContact O-ND2 2.81Å; I182-I395 HydrophobicContact CG1-CD1 4.26Å; I182-I395 HydrophobicContact CG1-CG2 4.09Å; I182-K399 HydrophobicContact CD1-CB 4.44Å; I182-K399 HydrophobicContact CD1-CG 3.75Å; I182-K399 HydrophobicContact CG1-CG 4.3Å
183A97.8Very high96.5Very high6 Ų628.4 Ų28.45%0.0514%0.142CC..Hα-helixtrans-64.5-47.1-177.300000112.8Y136 K179 I180 S181 N186 G187 I215Y136-A183 HydrophobicContact CD1-CB 3.83Å; Y136-A183 HydrophobicContact CE1-CB 4.25Å; K179-A183 PolarHBondContact O-N 3.18Å; K179-A183 VanDerWaalsContact O-N 3.13Å; I180-A183 PolarHBondContact O-N 2.98Å; S181-A183 PolarHBondContact O-N 3.24Å; A183-N186 PolarHBondContact O-N 2.91Å; A183-G187 PolarHBondContact O-N 3.48Å; A183-I215 HydrophobicContact CB-CB 3.55Å; A183-I215 HydrophobicContact CB-CD1 4.16Å; A183-I215 HydrophobicContact CB-CG1 4.4Å; A183-I215 HydrophobicContact CB-CG2 3.73Å
184V98.5Very high96.1Very high2 Ų231.1 Ų31.11%0.01214%0.144CC..Hα-helixtrans-64.3-44-179174.70000111.2I180 N186 G187 L188 V202 I207 L217 F260I180-V184 HydrophobicContact CG2-CG2 4.06Å; I180-V184 WeakPolarHBondContact O-CG2 3.44Å; I180-V184 PolarHBondContact O-N 3.29Å; V184-N186 PolarHBondContact O-N 3Å; V184-G187 PolarHBondContact O-N 3.2Å; V184-L188 HydrophobicContact CG1-CD1 4.03Å; V184-L188 HydrophobicContact CG1-CG 4.25Å; V184-L188 WeakPolarHBondContact O-CB 3.4Å; V184-L188 WeakPolarHBondContact O-CG 2.88Å; V184-L188 PolarHBondContact O-N 2.86Å; V184-V202 HydrophobicContact CG1-CG1 4.43Å; V184-I207 HydrophobicContact CG2-CD1 3.93Å; V184-I207 HydrophobicContact CG2-CG1 4.21Å; V184-I207 HydrophobicContact CG2-CG2 4.28Å; V184-L217 HydrophobicContact CG1-CD1 4.47Å; V184-L217 HydrophobicContact CG1-CD2 4.22Å; V184-L217 HydrophobicContact CG2-CD2 4.17Å; V184-F260 HydrophobicContact CB-CD2 4.06Å; V184-F260 HydrophobicContact CB-CE2 3.73Å; V184-F260 HydrophobicContact CB-CZ 4.02Å; V184-F260 HydrophobicContact CG1-CD1 4.28Å; V184-F260 HydrophobicContact CG1-CD2 3.5Å; V184-F260 HydrophobicContact CG1-CE1 4.45Å; V184-F260 HydrophobicContact CG1-CE2 3.73Å; V184-F260 HydrophobicContact CG1-CG 3.83Å; V184-F260 HydrophobicContact CG1-CZ 4.23Å; V184-F260 HydrophobicContact CG2-CD2 4.27Å; V184-F260 HydrophobicContact CG2-CE2 3.83Å; V184-F260 HydrophobicContact CG2-CZ 4.47Å
185L98.3Very high95.6Very high0 Ų031.9 Ų31.90%015%0.149CC..Hα-helixtrans-63.2-42.5178.1-71.3175.4000112.1S181 G187 L188 Q189 I257 F260 F371 V386 L389 L390 I395S181-L185 VanDerWaalsContact O-CB 3.32Å; S181-L185 WeakPolarHBondContact O-CB 3.37Å; S181-L185 VanDerWaalsContact O-CG 3.22Å; S181-L185 WeakPolarHBondContact O-CG 3.41Å; S181-L185 PolarHBondContact O-N 3.12Å; L185-G187 VanDerWaalsContact C-N 3.34Å; L185-L188 PolarHBondContact O-N 3.08Å; L185-Q189 WeakPolarHBondContact O-CB 3.21Å; L185-Q189 PolarHBondContact O-N 3.26Å; L185-I257 HydrophobicContact CD2-CD1 3.96Å; L185-F260 HydrophobicContact CD2-CE1 4.49Å; L185-F260 HydrophobicContact CG-CE1 4.42Å; L185-F371 HydrophobicContact CD1-CE2 4.18Å; L185-F371 HydrophobicContact CD1-CZ 3.97Å; L185-V386 HydrophobicContact CB-CG1 4.49Å; L185-V386 HydrophobicContact CD2-CG1 4.43Å; L185-V386 WeakPolarHBondContact O-CG1 3.28Å; L185-L389 HydrophobicContact CD1-CB 3.78Å; L185-L389 HydrophobicContact CD2-CB 3.91Å; L185-L389 HydrophobicContact CD2-CD1 3.93Å; L185-L390 HydrophobicContact CB-CD2 3.62Å; L185-L390 HydrophobicContact CB-CG 4Å; L185-L390 HydrophobicContact CD1-CD2 4.13Å; L185-L390 HydrophobicContact CD1-CG 4.3Å; L185-I395 HydrophobicContact CD1-CD1 4Å; L185-I395 HydrophobicContact CD1-CG1 4.07Å
186N96.6Very high95.2Very high40 Ų4031.9 Ų31.921%0.21415%0.152CC..Hα-helixtrans-66.4-37.1175.5-77.3-74.3000112Y136 I182 A183 V184 Q189 Y190Y136-N186 HydrophobicContact CD1-CB 4.37Å; Y136-N186 HydrophobicContact CD2-CB 3.35Å; Y136-N186 HydrophobicContact CE1-CB 4.34Å; Y136-N186 HydrophobicContact CE2-CB 3.32Å; Y136-N186 HydrophobicContact CG-CB 3.89Å; I182-N186 PolarHBondContact O-N 3.07Å; I182-N186 VanDerWaalsContact O-N 3.11Å; I182-N186 PolarHBondContact O-ND2 2.81Å; A183-N186 PolarHBondContact O-N 2.91Å; V184-N186 PolarHBondContact O-N 3Å; N186-Q189 PolarHBondContact O-N 2.91Å; N186-Y190 WeakPolarHBondContact O-CB 3.44Å; N186-Y190 PolarHBondContact O-N 2.97Å
187G96.1Very high94.8Very high0 Ų032.5 Ų32.50%016%0.155CC..Hα-helixtrans-62.3-48173.800000112.3A183 V184 L185 Q189 Y190 L191A183-G187 PolarHBondContact O-N 3.48Å; V184-G187 PolarHBondContact O-N 3.2Å; L185-G187 VanDerWaalsContact C-N 3.34Å; G187-Q189 PolarHBondContact O-N 2.75Å; G187-Y190 PolarHBondContact O-N 2.72Å; G187-L191 WeakPolarHBondContact O-CG 3.48Å; G187-L191 PolarHBondContact O-N 3.15Å
188L96.4Very high94.4Very high0 Ų033.6 Ų33.60%016%0.161CC..Hα-helixtrans-63.5-40.3176-70.3179.6000112.2V184 L185 L191 K192 H199 V202 L217 I253 D256 I257 V386V184-L188 HydrophobicContact CG1-CD1 4.03Å; V184-L188 HydrophobicContact CG1-CG 4.25Å; V184-L188 WeakPolarHBondContact O-CB 3.4Å; V184-L188 WeakPolarHBondContact O-CG 2.88Å; V184-L188 PolarHBondContact O-N 2.86Å; L185-L188 PolarHBondContact O-N 3.08Å; L188-L191 PolarHBondContact O-N 3.1Å; L188-K192 WeakPolarHBondContact O-CB 3.45Å; L188-K192 PolarHBondContact O-N 3.32Å; L188-H199 HydrophobicContact CD2-CB 3.8Å; L188-V202 HydrophobicContact CD2-CG2 3.95Å; L188-L217 HydrophobicContact CD2-CD1 4.15Å; L188-L217 HydrophobicContact CG-CD1 4.19Å; L188-I253 HydrophobicContact CB-CD1 4.3Å; L188-D256 HydrophobicContact CD1-CB 4.2Å; L188-D256 HydrophobicContact CD2-CB 4.04Å; L188-I257 HydrophobicContact CD1-CD1 4.15Å; L188-V386 HydrophobicContact CB-CG2 4.35Å
189Q95.2Very high94Very high45 Ų4533.7 Ų33.721%0.2116%0.162CC..Hα-helixtrans-60.2-48.2174.2-169.2174.334.400110.9L185 N186 G187 K192 E193 V386 L390L185-Q189 WeakPolarHBondContact O-CB 3.21Å; L185-Q189 PolarHBondContact O-N 3.26Å; N186-Q189 PolarHBondContact O-N 2.91Å; G187-Q189 PolarHBondContact O-N 2.75Å; Q189-K192 PolarHBondContact O-N 3.05Å; Q189-E193 HydrophobicContact CG-CG 4Å; Q189-E193 WeakPolarHBondContact CG-OE1 3.49Å; Q189-E193 PolarHBondContact NE2-OE1 2.68Å; Q189-E193 PolarHBondContact NE2-OE2 3.07Å; Q189-E193 WeakPolarHBondContact O-CB 3Å; Q189-E193 PolarHBondContact O-N 3Å; Q189-V386 HydrophobicContact CB-CG1 3.77Å; Q189-V386 HydrophobicContact CG-CG1 4.36Å; Q189-L390 VanDerWaalsContact OE1-CD1 3.24Å
190Y93.4Very high93.6Very high28 Ų2834.5 Ų34.511%0.1116%0.164CC..Hα-helixtrans-58.8-50.2178.8174.2-92.3000111.5I51 N133 I137 N186 G187 K192 K194 L195I51-Y190 HydrophobicContact CD1-CE2 4.19Å; N133-Y190 PolarHBondContact N-OH 3.27Å; N133-Y190 PolarHBondContact O-OH 3.03Å; I137-Y190 HydrophobicContact CG1-CD1 3.82Å; I137-Y190 HydrophobicContact CG1-CE1 4.24Å; N186-Y190 WeakPolarHBondContact O-CB 3.44Å; N186-Y190 PolarHBondContact O-N 2.97Å; G187-Y190 PolarHBondContact O-N 2.72Å; Y190-K192 VanDerWaalsContact C-N 3.31Å; Y190-K192 PolarHBondContact O-N 3.07Å; Y190-K194 HydrophobicContact CD2-CB 4.07Å; Y190-K194 HydrophobicContact CD2-CG 3.8Å; Y190-K194 HydrophobicContact CE2-CB 4.03Å; Y190-K194 HydrophobicContact CE2-CG 4.02Å; Y190-K194 VanDerWaalsContact O-CB 3.28Å; Y190-K194 WeakPolarHBondContact O-CB 3.29Å; Y190-K194 PolarHBondContact O-N 2.9Å; Y190-L195 HydrophobicContact CE1-CD1 3.77Å; Y190-L195 HydrophobicContact CE1-CG 4.2Å
191L92.1Very high93.1Very high1 Ų136 Ų361%0.00517%0.172CC..Hα-helixtrans-57.2-45.7178.4-69.6175.4000111.5I137 G187 L188 L195 N196 I197 H199 F220I137-L191 HydrophobicContact CD1-CD1 3.96Å; I137-L191 HydrophobicContact CD1-CD2 3.96Å; I137-L191 HydrophobicContact CD1-CG 3.76Å; I137-L191 HydrophobicContact CG1-CD2 4.4Å; G187-L191 WeakPolarHBondContact O-CG 3.48Å; G187-L191 PolarHBondContact O-N 3.15Å; L188-L191 PolarHBondContact O-N 3.1Å; L191-L195 HydrophobicContact CD2-CD1 4.26Å; L191-L195 CarbonylContact O-C 3.57Å; L191-L195 WeakPolarHBondContact O-CB 3.47Å; L191-L195 PolarHBondContact O-N 2.99Å; L191-N196 PolarHBondContact O-N 3.31Å; L191-I197 CarbonylContact C-O 3.44Å; L191-I197 VanDerWaalsContact C-O 3.31Å; L191-I197 PolarHBondContact O-N 2.82Å; L191-H199 HydrophobicContact CD1-CB 4.37Å; L191-F220 HydrophobicContact CD1-CB 3.99Å; L191-F220 HydrophobicContact CD1-CD1 4.47Å; L191-F220 HydrophobicContact CD1-CD2 4.3Å; L191-F220 HydrophobicContact CD1-CG 4.02Å; L191-F220 HydrophobicContact CD2-CD1 4.45Å; L191-F220 HydrophobicContact CD2-CD2 3.67Å; L191-F220 HydrophobicContact CD2-CE1 4.46Å; L191-F220 HydrophobicContact CD2-CE2 3.63Å; L191-F220 HydrophobicContact CD2-CG 4.09Å; L191-F220 HydrophobicContact CD2-CZ 4.06Å
192K91.5Very high92.9Very high78 Ų7836 Ų3634%0.33917%0.172SC..Hα-helixtrans-75-48-176.8-178.754.8-177.91680113.2L188 Q189 Y190 N196 I197 L198 I253L188-K192 WeakPolarHBondContact O-CB 3.45Å; L188-K192 PolarHBondContact O-N 3.32Å; Q189-K192 PolarHBondContact O-N 3.05Å; Y190-K192 VanDerWaalsContact C-N 3.31Å; Y190-K192 PolarHBondContact O-N 3.07Å; K192-N196 PolarHBondContact NZ-OD1 3.42Å; K192-N196 WeakPolarHBondContact O-CA 3.35Å; K192-N196 PolarHBondContact O-N 3.18Å; K192-I197 PolarHBondContact N-O 2.88Å; K192-L198 HydrophobicContact CD-CD2 3.98Å; K192-I253 HydrophobicContact CB-CD1 4.14Å
193E91.4Very high92.7Very high124 Ų12435.6 Ų35.658%0.57917%0.169SC*.Hα-helixtrans-82.8-35.8-171.8-66.2-177-175.100112.8Q189Q189-E193 HydrophobicContact CG-CG 4Å; Q189-E193 WeakPolarHBondContact CG-OE1 3.49Å; Q189-E193 PolarHBondContact NE2-OE1 2.68Å; Q189-E193 PolarHBondContact NE2-OE2 3.07Å; Q189-E193 WeakPolarHBondContact O-CB 3Å; Q189-E193 PolarHBondContact O-N 3Å
194K89Confident92.6Very high111 Ų11135.4 Ų35.448%0.48317%0.167SC..Hα-helixtrans-92.2-35.1-177.8-62.2-64-172.2169.90113.2Y190Y190-K194 HydrophobicContact CD2-CB 4.07Å; Y190-K194 HydrophobicContact CD2-CG 3.8Å; Y190-K194 HydrophobicContact CE2-CB 4.03Å; Y190-K194 HydrophobicContact CE2-CG 4.02Å; Y190-K194 VanDerWaalsContact O-CB 3.28Å; Y190-K194 WeakPolarHBondContact O-CB 3.29Å; Y190-K194 PolarHBondContact O-N 2.9Å
195L86.8Confident92.4Very high48 Ų4837.2 Ų37.225%0.25118%0.18SC..Hα-helixtrans-113.7-9.1-174.9-55.1-179.5000113.7C132 Y190 L191 I197C132-L195 HydrophobicContact CB-CD1 3.97Å; C132-L195 VanDerWaalsContact SG-CD1 3.6Å; Y190-L195 HydrophobicContact CE1-CD1 3.77Å; Y190-L195 HydrophobicContact CE1-CG 4.2Å; L191-L195 HydrophobicContact CD2-CD1 4.26Å; L191-L195 CarbonylContact O-C 3.57Å; L191-L195 WeakPolarHBondContact O-CB 3.47Å; L191-L195 PolarHBondContact O-N 2.99Å; L195-I197 HydrophobicContact CB-CB 4.39Å; L195-I197 HydrophobicContact CB-CD1 3.8Å; L195-I197 HydrophobicContact CB-CG1 3.99Å; L195-I197 HydrophobicContact CD1-CD1 4.24Å; L195-I197 PolarHBondContact O-N 3.14Å
196N88.9Confident92.2Very high108 Ų10837.6 Ų37.658%0.57818%0.182SC*.  trans5435.4-171-164.133.8000113.9L191 K192L191-N196 PolarHBondContact O-N 3.31Å; K192-N196 PolarHBondContact NZ-OD1 3.42Å; K192-N196 WeakPolarHBondContact O-CA 3.35Å; K192-N196 PolarHBondContact O-N 3.18Å
197I88.2Confident92.2Very high22 Ų2235.7 Ų35.711%0.11317%0.172CC..  trans-106.1141.5179.4-65.2171.1000109.8V128 L191 K192 L195 F220 V222V128-I197 HydrophobicContact CG1-CD1 4.35Å; L191-I197 CarbonylContact C-O 3.44Å; L191-I197 VanDerWaalsContact C-O 3.31Å; L191-I197 PolarHBondContact O-N 2.82Å; K192-I197 PolarHBondContact N-O 2.88Å; L195-I197 HydrophobicContact CB-CB 4.39Å; L195-I197 HydrophobicContact CB-CD1 3.8Å; L195-I197 HydrophobicContact CB-CG1 3.99Å; L195-I197 HydrophobicContact CD1-CD1 4.24Å; L195-I197 PolarHBondContact O-N 3.14Å; I197-F220 HydrophobicContact CG2-CD2 4.06Å; I197-V222 HydrophobicContact CD1-CG1 4.39Å; I197-V222 HydrophobicContact CD1-CG2 4.15Å
198L89.9Confident92.3Very high24 Ų2437.1 Ų37.113%0.12618%0.179CC..  trans-100.9144.5168.9-59.5178.2000109.2K192 R200 Y251 I253K192-L198 HydrophobicContact CD-CD2 3.98Å; L198-R200 HydrophobicContact CB-CG 4.16Å; L198-Y251 HydrophobicContact CB-CD1 4.27Å; L198-Y251 HydrophobicContact CB-CE1 4.22Å; L198-Y251 HydrophobicContact CD1-CD1 3.79Å; L198-Y251 HydrophobicContact CD1-CE1 4.43Å; L198-I253 HydrophobicContact CD2-CB 3.9Å; L198-I253 HydrophobicContact CD2-CD1 4.17Å
199H91.7Very high92.4Very high1 Ų137.1 Ų37.11%0.00518%0.179CC..  trans-72.7-45.3-175.5-170.8-50.2000112.2L188 L191 D201 V202 C218 F220 G221 D256L188-H199 HydrophobicContact CD2-CB 3.8Å; L191-H199 HydrophobicContact CD1-CB 4.37Å; H199-D201 PolarHBondContact CE1-O 3.01Å; H199-D201 PolarHBondContact ND1-N 3.46Å; H199-D201 PolarHBondContact O-N 2.94Å; H199-V202 HydrophobicContact CB-CG2 3.72Å; H199-C218 PolarHBondContact CE1-O 3.26Å; H199-C218 VanDerWaalsContact CE1-O 3.23Å; H199-C218 PolarHBondContact NE2-O 3.02Å; H199-C218 VanDerWaalsContact NE2-O 3.14Å; H199-F220 HydrophobicContact CB-CB 4.28Å; H199-G221 PolarHBondContact O-N 3.23Å; H199-D256 PolarHBondContact N-OD2 3.35Å
200R89.7Confident92.4Very high63 Ų6335.6 Ų35.624%0.23817%0.173CC..SBendtrans71.3-4.6177-56.7176176.6-150.32.6117.3L198 R245 Y251 D256L198-R200 HydrophobicContact CB-CG 4.16Å; R200-R245 PolarHBondContact O-NH1 3.41Å; R200-Y251 VanDerWaalsContact CA-OH 3.31Å; R200-Y251 WeakPolarHBondContact CA-OH 3.46Å; R200-Y251 HydrophobicContact CB-CE1 4.14Å; R200-Y251 HydrophobicContact CG-CD1 3.81Å; R200-Y251 HydrophobicContact CG-CE1 3.62Å; R200-D256 PolarHBondContact N-OD1 3.15Å
201D88.1Confident92.6Very high32 Ų3235.3 Ų35.317%0.17118%0.175CC..  trans-156.346-175.4-164.219.1000111.8H199 K203 N206 T237H199-D201 PolarHBondContact CE1-O 3.01Å; H199-D201 PolarHBondContact ND1-N 3.46Å; H199-D201 PolarHBondContact O-N 2.94Å; D201-K203 PolarHBondContact O-N 2.98Å; D201-K203 WeakPolarHBondContact OD1-CE 3.48Å; D201-K203 IonicContact OD1-NZ 3.4Å; D201-K203 PolarHBondContact OD1-NZ 3.46Å; D201-K203 IonicContact OD2-NZ 3.48Å; D201-K203 PolarHBondContact OD2-NZ 3.07Å; D201-N206 VanDerWaalsContact CG-ND2 3.29Å; D201-N206 PolarHBondContact O-ND2 3.35Å; D201-N206 PolarHBondContact OD2-ND2 3.42Å; D201-T237 WeakPolarHBondContact OD1-CG2 3.28Å
202V93.8Very high92.7Very high0 Ų040.3 Ų40.30%020%0.198CC..  trans-72.3120.4176.1-176.40000109V184 L188 H199 D256 S259 F260V184-V202 HydrophobicContact CG1-CG1 4.43Å; L188-V202 HydrophobicContact CD2-CG2 3.95Å; H199-V202 HydrophobicContact CB-CG2 3.72Å; V202-D256 HydrophobicContact CG2-CB 4.03Å; V202-S259 VanDerWaalsContact O-CB 3.25Å; V202-S259 WeakPolarHBondContact O-CB 3.19Å; V202-F260 HydrophobicContact CG1-CB 4.03Å; V202-F260 HydrophobicContact CG1-CD2 4.36Å
203K94.2Very high92.9Very high15 Ų1537.7 Ų37.77%0.06519%0.193CC..SBendtrans-162.1165.217760.8-174.3176.3-139.70110.1D201 S205 N206 T237 Y240 S263D201-K203 PolarHBondContact O-N 2.98Å; D201-K203 WeakPolarHBondContact OD1-CE 3.48Å; D201-K203 IonicContact OD1-NZ 3.4Å; D201-K203 PolarHBondContact OD1-NZ 3.46Å; D201-K203 IonicContact OD2-NZ 3.48Å; D201-K203 PolarHBondContact OD2-NZ 3.07Å; K203-S205 WeakPolarHBondContact CD-OG 3.36Å; K203-S205 WeakPolarHBondContact CE-OG 3.43Å; K203-S205 WeakPolarHBondContact CG-OG 3.36Å; K203-S205 PolarHBondContact O-N 2.91Å; K203-S205 VanDerWaalsContact O-N 3.12Å; K203-N206 HydrophobicContact CG-CB 4.27Å; K203-N206 PolarHBondContact O-N 3.47Å; K203-T237 PolarHBondContact NZ-OG1 3.26Å; K203-Y240 HydrophobicContact CB-CD1 4.07Å; K203-Y240 HydrophobicContact CB-CD2 3.76Å; K203-Y240 HydrophobicContact CB-CE1 4.14Å; K203-Y240 HydrophobicContact CB-CE2 3.85Å; K203-Y240 HydrophobicContact CB-CG 3.89Å; K203-Y240 HydrophobicContact CD-CD2 4.03Å; K203-Y240 HydrophobicContact CD-CE2 4.08Å; K203-S263 WeakPolarHBondContact CA-OG 3.34Å
204P95.7Very high93.2Very high1 Ų133.2 Ų33.21%0.00617%0.172CC..G310 helixtrans-55.5-33.4-178.1-29.338.6000114.4L162 D163 N206 I207 E266 L267L162-P204 HydrophobicContact CB-CB 4.09Å; L162-P204 WeakPolarHBondContact CB-O 3.46Å; L162-P204 PolarHBondContact N-O 2.92Å; D163-P204 HydrophobicContact CB-CB 4.04Å; D163-P204 PolarHBondContact N-O 3.1Å; P204-N206 PolarHBondContact O-N 3.12Å; P204-I207 PolarHBondContact O-N 3.26Å; P204-E266 WeakPolarHBondContact CG-OE2 3.24Å; P204-L267 HydrophobicContact CB-CD2 4.18Å; P204-L267 HydrophobicContact CG-CD2 4.28Å; P204-L267 HydrophobicContact CG-CG 4.25Å
205S92.7Very high93.6Very high41 Ų4128.5 Ų28.529%0.28715%0.152SC..G310 helixtrans-68.8-16.4177.574.90000114.6S161 D163 K203S161-S205 WeakPolarHBondContact CB-O 3.47Å; D163-S205 VanDerWaalsContact OD1-CA 3.29Å; D163-S205 WeakPolarHBondContact OD1-CA 3.49Å; K203-S205 WeakPolarHBondContact CD-OG 3.36Å; K203-S205 WeakPolarHBondContact CE-OG 3.43Å; K203-S205 WeakPolarHBondContact CG-OG 3.36Å; K203-S205 PolarHBondContact O-N 2.91Å; K203-S205 VanDerWaalsContact O-N 3.12Å
206N94.3Very high94.2Very high7 Ų726.6 Ų26.64%0.03714%0.142CC..G310 helixtrans-108.211.1-179.3-68.1-3.3000112.4D201 K203 P204 C218D201-N206 VanDerWaalsContact CG-ND2 3.29Å; D201-N206 PolarHBondContact O-ND2 3.35Å; D201-N206 PolarHBondContact OD2-ND2 3.42Å; K203-N206 HydrophobicContact CG-CB 4.27Å; K203-N206 PolarHBondContact O-N 3.47Å; P204-N206 PolarHBondContact O-N 3.12Å; N206-C218 PolarHBondContact O-N 3.48Å
207I97.6Very high94.5Very high1 Ų121.5 Ų21.51%0.00511%0.114CC..EExtended strand (participates in β ladder)trans-114.1112.5172.6-55.8163.5000106.8S161 L162 V184 P204 I215 L217S161-I207 CarbonylContact C-O 3.31Å; S161-I207 WeakPolarHBondContact CA-O 3.49Å; L162-I207 HydrophobicContact CD1-CB 3.82Å; L162-I207 HydrophobicContact CD1-CD1 4.18Å; L162-I207 HydrophobicContact CD1-CG2 3.51Å; L162-I207 HydrophobicContact CG-CB 3.96Å; L162-I207 HydrophobicContact CG-CG2 3.86Å; L162-I207 WeakPolarHBondContact CG-O 3.36Å; L162-I207 PolarHBondContact N-O 3.32Å; V184-I207 HydrophobicContact CG2-CD1 3.93Å; V184-I207 HydrophobicContact CG2-CG1 4.21Å; V184-I207 HydrophobicContact CG2-CG2 4.28Å; P204-I207 PolarHBondContact O-N 3.26Å; I207-I215 HydrophobicContact CG2-CG2 3.72Å; I207-L217 HydrophobicContact CG1-CD2 3.84Å
208L97.7Very high94.8Very high30 Ų3020.9 Ų20.916%0.15711%0.112CC..EExtended strand (participates in β ladder)trans-103.2148.9-176.8-54.4-169000111.7V138 M157 L160 I215 K216 C218V138-L208 HydrophobicContact CG2-CB 4.35Å; V138-L208 HydrophobicContact CG2-CD1 3.94Å; V138-L208 HydrophobicContact CG2-CG 4.28Å; M157-L208 HydrophobicContact CB-CB 3.75Å; M157-L208 HydrophobicContact CB-CD1 4Å; M157-L208 HydrophobicContact CB-CG 4.5Å; M157-L208 HydrophobicContact CE-CB 4.32Å; M157-L208 HydrophobicContact CG-CB 3.72Å; M157-L208 HydrophobicContact CG-CD1 3.84Å; M157-L208 HydrophobicContact CG-CG 4.44Å; L160-L208 CarbonylContact O-C 3.56Å; L160-L208 WeakPolarHBondContact O-CA 3.24Å; L208-I215 CarbonylContact O-C 3.36Å; L208-I215 WeakPolarHBondContact O-CA 3.49Å; L208-K216 PolarHBondContact N-O 2.93Å; L208-K216 PolarHBondContact O-N 2.97Å; L208-C218 HydrophobicContact CD1-CB 4.19Å; L208-C218 HydrophobicContact CG-CB 4.33Å
209V98.1Very high94.6Very high0 Ų022.4 Ų22.40%012%0.12CC..EExtended strand (participates in β ladder)trans-129.4158.3176.7-61.80000112G159 L160 L162 V165 E214 I215 F405 V409G159-V209 CarbonylContact C-O 3.44Å; G159-V209 WeakPolarHBondContact CA-O 3.28Å; G159-V209 PolarHBondContact N-O 2.89Å; L160-V209 PolarHBondContact N-O 2.92Å; L160-V209 PolarHBondContact O-N 3.24Å; L162-V209 HydrophobicContact CD2-CG1 3.56Å; L162-V209 HydrophobicContact CD2-CG2 4.23Å; L162-V209 HydrophobicContact CG-CG1 4.48Å; V165-V209 HydrophobicContact CG2-CG2 4.07Å; V209-E214 VanDerWaalsContact CA-O 3.25Å; V209-E214 WeakPolarHBondContact CA-O 3.43Å; V209-I215 HydrophobicContact CG1-CB 4.44Å; V209-I215 HydrophobicContact CG1-CG1 4.08Å; V209-I215 HydrophobicContact CG1-CG2 4.28Å; V209-F405 HydrophobicContact CB-CE1 4.41Å; V209-F405 HydrophobicContact CG1-CE1 4.08Å; V209-F405 HydrophobicContact CG1-CZ 3.98Å; V209-V409 HydrophobicContact CB-CG2 4.16Å; V209-V409 HydrophobicContact CG2-CG1 4.12Å; V209-V409 HydrophobicContact CG2-CG2 4.1Å
210N96.7Very high94.2Very high13 Ų1323.3 Ų23.37%0.0712%0.124CC..  trans-134.8166.3176.575.910.2000113.1M157 D158 Q212 G213 E214 V409M157-N210 HydrophobicContact CE-CB 3.93Å; M157-N210 HydrophobicContact SD-CB 4.18Å; D158-N210 WeakPolarHBondContact OD1-CA 3.27Å; D158-N210 WeakPolarHBondContact OD1-CB 3.33Å; N210-Q212 PolarHBondContact O-N 2.86Å; N210-Q212 VanDerWaalsContact O-N 3.1Å; N210-Q212 WeakPolarHBondContact OD1-CA 3.34Å; N210-Q212 WeakPolarHBondContact OD1-CB 3.23Å; N210-Q212 PolarHBondContact OD1-N 3.45Å; N210-Q212 VanDerWaalsContact OD1-N 3.13Å; N210-G213 PolarHBondContact O-N 3.11Å; N210-G213 PolarHBondContact OD1-N 3.19Å; N210-G213 VanDerWaalsContact OD1-N 3.16Å; N210-E214 PolarHBondContact N-O 2.86Å; N210-E214 PolarHBondContact ND2-OE2 2.91Å; N210-E214 WeakPolarHBondContact OD1-CB 3.47Å; N210-E214 PolarHBondContact OD1-N 3.48Å; N210-V409 WeakPolarHBondContact O-CG1 3.37Å
211S96.2Very high93.6Very high22 Ų2221 Ų2115%0.15412%0.121CC..THydrogen-bonded Turntrans-63.6-12.8-179.659.70000114.2D158 G213 R410D158-S211 PolarHBondContact OD1-N 3.02Å; D158-S211 PolarHBondContact OD1-OG 2.76Å; D158-S211 WeakPolarHBondContact OD2-CB 3.48Å; D158-S211 PolarHBondContact OD2-OG 3.23Å; S211-G213 VanDerWaalsContact C-N 3.33Å; S211-R410 PolarHBondContact O-NH1 3.1Å
212Q95.2Very high92.7Very high106 Ų10620.9 Ų20.950%0.49512%0.121SC..THydrogen-bonded Turntrans-87.6-2.6172.9-56.8-57.6-46.600112.6R60 N210R60-Q212 PolarHBondContact NH1-O 3.24Å; R60-Q212 PolarHBondContact NH2-O 2.57Å; N210-Q212 PolarHBondContact O-N 2.86Å; N210-Q212 VanDerWaalsContact O-N 3.1Å; N210-Q212 WeakPolarHBondContact OD1-CA 3.34Å; N210-Q212 WeakPolarHBondContact OD1-CB 3.23Å; N210-Q212 PolarHBondContact OD1-N 3.45Å; N210-Q212 VanDerWaalsContact OD1-N 3.13Å
213G95.2Very high91.7Very high23 Ų2321 Ų2124%0.23712%0.122CC..  trans77.921.8179.400000114.3N210 S211N210-G213 PolarHBondContact O-N 3.11Å; N210-G213 PolarHBondContact OD1-N 3.19Å; N210-G213 VanDerWaalsContact OD1-N 3.16Å; S211-G213 VanDerWaalsContact C-N 3.33Å
214E97.3Very high90.6Very high29 Ų2921.1 Ų21.114%0.13613%0.127CC..  trans-79.5147.6170.4-60.1173.385.500110.3M157 V209 N210 K216M157-E214 HydrophobicContact CE-CB 4.26Å; V209-E214 VanDerWaalsContact CA-O 3.25Å; V209-E214 WeakPolarHBondContact CA-O 3.43Å; N210-E214 PolarHBondContact N-O 2.86Å; N210-E214 PolarHBondContact ND2-OE2 2.91Å; N210-E214 WeakPolarHBondContact OD1-CB 3.47Å; N210-E214 PolarHBondContact OD1-N 3.48Å; E214-K216 WeakPolarHBondContact OE1-CE 3.38Å; E214-K216 IonicContact OE1-NZ 2.74Å; E214-K216 PolarHBondContact OE1-NZ 3.14Å; E214-K216 VanDerWaalsContact OE1-NZ 3.16Å
215I98.3Very high89.2Confident13 Ų1324 Ų247%0.06714%0.14CC..EExtended strand (participates in β ladder)trans-130.4119.4176.9-51.5170.4000106.3K179 I180 A183 I207 L208 V209 F405K179-I215 HydrophobicContact CB-CD1 4.18Å; I180-I215 HydrophobicContact CG1-CD1 3.96Å; A183-I215 HydrophobicContact CB-CB 3.55Å; A183-I215 HydrophobicContact CB-CD1 4.16Å; A183-I215 HydrophobicContact CB-CG1 4.4Å; A183-I215 HydrophobicContact CB-CG2 3.73Å; I207-I215 HydrophobicContact CG2-CG2 3.72Å; L208-I215 CarbonylContact O-C 3.36Å; L208-I215 WeakPolarHBondContact O-CA 3.49Å; V209-I215 HydrophobicContact CG1-CB 4.44Å; V209-I215 HydrophobicContact CG1-CG1 4.08Å; V209-I215 HydrophobicContact CG1-CG2 4.28Å; I215-F405 HydrophobicContact CD1-CD1 4.35Å; I215-F405 HydrophobicContact CD1-CD2 4.35Å; I215-F405 HydrophobicContact CD1-CE1 3.75Å; I215-F405 HydrophobicContact CD1-CE2 3.72Å; I215-F405 HydrophobicContact CD1-CZ 3.4Å; I215-F405 HydrophobicContact CG1-CD1 4.33Å; I215-F405 HydrophobicContact CG1-CE1 3.53Å; I215-F405 HydrophobicContact CG1-CE2 4.37Å; I215-F405 HydrophobicContact CG1-CZ 3.56Å
216K98.1Very high88.1Confident7 Ų722.7 Ų22.73%0.0313%0.13CC..EExtended strand (participates in β ladder)trans-138.4142.7-170.4-61.7-175.4-178.9-173.70112.4P135 Y136 V138 E155 M157 L208 E214P135-K216 WeakPolarHBondContact O-CE 3.36Å; P135-K216 WeakPolarHBondContact O-CG 3.32Å; Y136-K216 CarbonylContact O-C 3.47Å; Y136-K216 VanDerWaalsContact O-CA 3.32Å; Y136-K216 WeakPolarHBondContact O-CA 3.49Å; V138-K216 HydrophobicContact CG2-CB 3.59Å; E155-K216 WeakPolarHBondContact OE1-CD 3.22Å; E155-K216 WeakPolarHBondContact OE1-CE 3.49Å; E155-K216 IonicContact OE1-NZ 3.07Å; E155-K216 PolarHBondContact OE1-NZ 3.06Å; E155-K216 IonicContact OE2-NZ 2.63Å; E155-K216 PolarHBondContact OE2-NZ 2.94Å; M157-K216 HydrophobicContact CE-CB 4.09Å; M157-K216 HydrophobicContact CE-CD 3.95Å; M157-K216 HydrophobicContact CE-CG 3.98Å; M157-K216 HydrophobicContact SD-CD 4.13Å; L208-K216 PolarHBondContact N-O 2.93Å; L208-K216 PolarHBondContact O-N 2.97Å; E214-K216 WeakPolarHBondContact OE1-CE 3.38Å; E214-K216 IonicContact OE1-NZ 2.74Å; E214-K216 PolarHBondContact OE1-NZ 3.14Å; E214-K216 VanDerWaalsContact OE1-NZ 3.16Å
217L96.9Very high87Confident1 Ų123.3 Ų23.31%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-82.4139.3174.3-63.7169.6000110.8Y136 I137 V138 V184 L188 I207Y136-L217 PolarHBondContact O-N 2.89Å; I137-L217 HydrophobicContact CD1-CB 4.02Å; I137-L217 HydrophobicContact CD1-CD1 4.29Å; V138-L217 WeakPolarHBondContact CG2-O 3.34Å; V138-L217 PolarHBondContact N-O 3.36Å; V184-L217 HydrophobicContact CG1-CD1 4.47Å; V184-L217 HydrophobicContact CG1-CD2 4.22Å; V184-L217 HydrophobicContact CG2-CD2 4.17Å; L188-L217 HydrophobicContact CD2-CD1 4.15Å; L188-L217 HydrophobicContact CG-CD1 4.19Å; I207-L217 HydrophobicContact CG1-CD2 3.84Å
218C93.2Very high85.6Confident10 Ų1025.5 Ų25.57%0.06815%0.145CC..  trans-126.4174.6171.168.20000111.3V138 H199 N206 L208 F220V138-C218 HydrophobicContact CB-CB 3.99Å; V138-C218 HydrophobicContact CG1-CB 4.42Å; V138-C218 HydrophobicContact CG2-CB 3.79Å; H199-C218 PolarHBondContact CE1-O 3.26Å; H199-C218 VanDerWaalsContact CE1-O 3.23Å; H199-C218 PolarHBondContact NE2-O 3.02Å; H199-C218 VanDerWaalsContact NE2-O 3.14Å; N206-C218 PolarHBondContact O-N 3.48Å; L208-C218 HydrophobicContact CD1-CB 4.19Å; L208-C218 HydrophobicContact CG-CB 4.33Å; C218-F220 PolarHBondContact O-N 3.32Å; C218-F220 VanDerWaalsContact O-N 3.15Å
219D85.3Confident84.1Confident55 Ų5525.7 Ų25.729%0.29415%0.149SC..  trans55.933.8172.4-74.2-19.2000114.8K108K108-D219 IonicContact NZ-OD1 3.67Å; K108-D219 PolarHBondContact NZ-OD1 2.72Å; K108-D219 IonicContact NZ-OD2 2.66Å; K108-D219 PolarHBondContact NZ-OD2 2.96Å
220F83.7Confident82.6Confident20 Ų2028.1 Ų28.19%0.08816%0.161CC..  trans-77.9147.1172.556.3-84.6000111.7L129 C132 I137 L191 I197 H199 C218 V222L129-F220 HydrophobicContact CD2-CD2 4.37Å; L129-F220 HydrophobicContact CD2-CE1 4.03Å; L129-F220 HydrophobicContact CD2-CE2 3.38Å; L129-F220 HydrophobicContact CD2-CZ 3.14Å; C132-F220 HydrophobicContact CB-CZ 4.35Å; I137-F220 HydrophobicContact CG2-CD1 4.22Å; I137-F220 HydrophobicContact CG2-CE1 3.32Å; I137-F220 HydrophobicContact CG2-CZ 3.74Å; L191-F220 HydrophobicContact CD1-CB 3.99Å; L191-F220 HydrophobicContact CD1-CD1 4.47Å; L191-F220 HydrophobicContact CD1-CD2 4.3Å; L191-F220 HydrophobicContact CD1-CG 4.02Å; L191-F220 HydrophobicContact CD2-CD1 4.45Å; L191-F220 HydrophobicContact CD2-CD2 3.67Å; L191-F220 HydrophobicContact CD2-CE1 4.46Å; L191-F220 HydrophobicContact CD2-CE2 3.63Å; L191-F220 HydrophobicContact CD2-CG 4.09Å; L191-F220 HydrophobicContact CD2-CZ 4.06Å; I197-F220 HydrophobicContact CG2-CD2 4.06Å; H199-F220 HydrophobicContact CB-CB 4.28Å; C218-F220 PolarHBondContact O-N 3.32Å; C218-F220 VanDerWaalsContact O-N 3.15Å; F220-V222 HydrophobicContact CD2-CG2 3.38Å; F220-V222 HydrophobicContact CE2-CG2 3.25Å; F220-V222 HydrophobicContact CG-CG2 4.49Å; F220-V222 HydrophobicContact CZ-CG2 4.28Å; F220-V222 PolarHBondContact O-N 3.3Å
221G76.5Confident80.8Confident16 Ų1628.2 Ų28.217%0.16516%0.163CC..  trans-74.783.3-170.900000114.9H199H199-G221 PolarHBondContact O-N 3.23Å
222V70.6Confident78.7Confident28 Ų2833.8 Ų33.817%0.1719%0.192CC..  trans-86.1-35.7176.5-175.10000113.4V128 L129 I197 F220V128-V222 HydrophobicContact CB-CG1 3.93Å; V128-V222 HydrophobicContact CG1-CG1 4.26Å; L129-V222 HydrophobicContact CD2-CB 4.36Å; L129-V222 HydrophobicContact CD2-CG2 3.43Å; L129-V222 VanDerWaalsContact CD2-CG2 3.43Å; L129-V222 HydrophobicContact CG-CB 4.4Å; L129-V222 HydrophobicContact CG-CG1 4.43Å; L129-V222 HydrophobicContact CG-CG2 3.97Å; I197-V222 HydrophobicContact CD1-CG1 4.39Å; I197-V222 HydrophobicContact CD1-CG2 4.15Å; F220-V222 HydrophobicContact CD2-CG2 3.38Å; F220-V222 HydrophobicContact CE2-CG2 3.25Å; F220-V222 HydrophobicContact CG-CG2 4.49Å; F220-V222 HydrophobicContact CZ-CG2 4.28Å; F220-V222 PolarHBondContact O-N 3.3Å
223S73.2Confident76.6Confident3 Ų332.1 Ų32.12%0.02119%0.191CC..  trans-106.5110.4-179.1172.60000110.8E125 Q225 L226 I227E125-S223 VanDerWaalsContact OE2-CA 3.24Å; E125-S223 WeakPolarHBondContact OE2-CA 3.18Å; E125-S223 WeakPolarHBondContact OE2-CB 3.24Å; E125-S223 PolarHBondContact OE2-OG 2.91Å; S223-Q225 PolarHBondContact O-N 3.31Å; S223-L226 PolarHBondContact O-N 2.87Å; S223-L226 WeakPolarHBondContact OG-CB 3.29Å; S223-L226 PolarHBondContact OG-N 3.03Å; S223-I227 WeakPolarHBondContact O-CD1 3.42Å; S223-I227 WeakPolarHBondContact O-CG1 3.49Å; S223-I227 PolarHBondContact O-N 2.97Å
224G71.2Confident74.6Confident17 Ų1735.1 Ų35.118%0.17520%0.198CC..Hα-helixtrans-57.5-38.2173.700000111.8I227 N228G224-I227 PolarHBondContact O-N 3.36Å; G224-N228 WeakPolarHBondContact O-CB 3.42Å; G224-N228 PolarHBondContact O-N 3.44Å; G224-N228 PolarHBondContact O-ND2 2.8Å
225Q65.9Low72.5Confident61 Ų6137.4 Ų37.429%0.28521%0.214SC..Hα-helixtrans-64.3-44.7175.6-66.9-64.4-20.100112.5Q121 I122 S223 N228 S229Q121-Q225 HydrophobicContact CG-CG 4.41Å; I122-Q225 HydrophobicContact CD1-CB 4.4Å; I122-Q225 HydrophobicContact CG1-CB 3.77Å; S223-Q225 PolarHBondContact O-N 3.31Å; Q225-N228 PolarHBondContact O-N 3.5Å; Q225-S229 WeakPolarHBondContact O-CB 3.33Å; Q225-S229 PolarHBondContact O-N 3.3Å; Q225-S229 PolarHBondContact O-OG 3.47Å
226L70Confident70.4Confident14 Ų1439 Ų397%0.07323%0.233CC..Hα-helixtrans-64.5-44176-172.666.3000111.1I110 L112 I122 L126 S223 N228 S229 M230I110-L226 HydrophobicContact CD1-CD1 4.33Å; I110-L226 HydrophobicContact CD1-CD2 4.16Å; I110-L226 HydrophobicContact CG2-CD1 4.31Å; L112-L226 HydrophobicContact CD1-CD1 3.58Å; L112-L226 HydrophobicContact CD2-CD1 4.41Å; I122-L226 HydrophobicContact CG2-CB 4.21Å; I122-L226 HydrophobicContact CG2-CD1 4.17Å; L126-L226 HydrophobicContact CD2-CD2 4.4Å; S223-L226 PolarHBondContact O-N 2.87Å; S223-L226 WeakPolarHBondContact OG-CB 3.29Å; S223-L226 PolarHBondContact OG-N 3.03Å; L226-N228 PolarHBondContact O-N 3.49Å; L226-S229 PolarHBondContact O-N 2.87Å; L226-M230 HydrophobicContact CD1-CG 4.35Å; L226-M230 HydrophobicContact CD1-SD 4.39Å; L226-M230 HydrophobicContact CD2-CE 4.35Å; L226-M230 HydrophobicContact CG-CE 4.01Å; L226-M230 HydrophobicContact CG-CG 4.42Å; L226-M230 HydrophobicContact CG-SD 4.22Å; L226-M230 WeakPolarHBondContact O-CB 3.36Å; L226-M230 WeakPolarHBondContact O-CG 3.46Å; L226-M230 PolarHBondContact O-N 2.94Å
227I70.5Confident68.6Low21 Ų2139.8 Ų39.811%0.10824%0.239CC..Hα-helixtrans-59.4-48.7176.6-65.2160.6000110V19 S223 G224 S229 M230 A231V19-I227 HydrophobicContact CG2-CG2 3.98Å; S223-I227 WeakPolarHBondContact O-CD1 3.42Å; S223-I227 WeakPolarHBondContact O-CG1 3.49Å; S223-I227 PolarHBondContact O-N 2.97Å; G224-I227 PolarHBondContact O-N 3.36Å; I227-S229 VanDerWaalsContact C-N 3.29Å; I227-S229 PolarHBondContact O-N 3.04Å; I227-M230 PolarHBondContact O-N 2.92Å; I227-A231 WeakPolarHBondContact O-CB 3.45Å; I227-A231 PolarHBondContact O-N 3.2Å
228N68.4Low67.4Low46 Ų4641.9 Ų41.925%0.24625%0.247CC..Hα-helixtrans-60.5-40.8178.4-75-23.9000112.1V19 G224 Q225 L226V19-N228 WeakPolarHBondContact CB-OD1 3.48Å; V19-N228 WeakPolarHBondContact CG2-OD1 3.38Å; G224-N228 WeakPolarHBondContact O-CB 3.42Å; G224-N228 PolarHBondContact O-N 3.44Å; G224-N228 PolarHBondContact O-ND2 2.8Å; Q225-N228 PolarHBondContact O-N 3.5Å; L226-N228 PolarHBondContact O-N 3.49Å
229S66.1Low67Low34 Ų3442.4 Ų42.424%0.23825%0.251CS..Hα-helixtrans-67.9-41.6179.2-57.60000111.9Q225 L226 I227Q225-S229 WeakPolarHBondContact O-CB 3.33Å; Q225-S229 PolarHBondContact O-N 3.3Å; Q225-S229 PolarHBondContact O-OG 3.47Å; L226-S229 PolarHBondContact O-N 2.87Å; I227-S229 VanDerWaalsContact C-N 3.29Å; I227-S229 PolarHBondContact O-N 3.04Å
230M66.3Low67.3Low51 Ų5141.2 Ų41.225%0.25124%0.242SC..Hα-helixtrans-79.1-28.4179.4-67.3-168.4-51.800113.4I110 L226 I227 N232 S233I110-M230 HydrophobicContact CG2-SD 4.4Å; L226-M230 HydrophobicContact CD1-CG 4.35Å; L226-M230 HydrophobicContact CD1-SD 4.39Å; L226-M230 HydrophobicContact CD2-CE 4.35Å; L226-M230 HydrophobicContact CG-CE 4.01Å; L226-M230 HydrophobicContact CG-CG 4.42Å; L226-M230 HydrophobicContact CG-SD 4.22Å; L226-M230 WeakPolarHBondContact O-CB 3.36Å; L226-M230 WeakPolarHBondContact O-CG 3.46Å; L226-M230 PolarHBondContact O-N 2.94Å; I227-M230 PolarHBondContact O-N 2.92Å; M230-N232 VanDerWaalsContact C-N 3.32Å; M230-N232 PolarHBondContact O-N 3.36Å; M230-S233 PolarHBondContact O-N 3.31Å; M230-S233 PolarHBondContact O-OG 2.69Å
231A58.4Low67.7Low15 Ų1541 Ų4112%0.12424%0.241CC..Hα-helixtrans-79.6-18-171.400000114.1T18 I227 S233T18-A231 HydrophobicContact CG2-CB 3.25Å; T18-A231 WeakPolarHBondContact OG1-CB 3.43Å; I227-A231 WeakPolarHBondContact O-CB 3.45Å; I227-A231 PolarHBondContact O-N 3.2Å; A231-S233 PolarHBondContact O-N 3.38Å
232N52Low68.4Low140 Ų14040.2 Ų40.275%0.74923%0.234SC*.THydrogen-bonded Turntrans-70.6-17.3169.6-74.5-20.5000112.7M230M230-N232 VanDerWaalsContact C-N 3.32Å; M230-N232 PolarHBondContact O-N 3.36Å
233S51.3Low69.5Low70 Ų7039.3 Ų39.349%0.4923%0.229SC..THydrogen-bonded Turntrans-105.1-12.9-170.129.20000115.2M230 A231M230-S233 PolarHBondContact O-N 3.31Å; M230-S233 PolarHBondContact O-OG 2.69Å; A231-S233 PolarHBondContact O-N 3.38Å
234F54.3Low70.3Confident86 Ų8639.7 Ų39.738%0.37723%0.23SC..  trans-136.5125.4-170.2-62.6-82.1000116.1N89N89-F234 HydrophobicContact CB-CB 4.06Å; N89-F234 HydrophobicContact CB-CD1 4.08Å; N89-F234 HydrophobicContact CB-CD2 4.39Å; N89-F234 HydrophobicContact CB-CG 3.89Å; N89-F234 WeakPolarHBondContact O-CD2 3.28Å; N89-F234 WeakPolarHBondContact O-CE2 3.37Å; N89-F234 WeakPolarHBondContact O-CZ 3.42Å
235V51.7Low71Confident77 Ų7740.3 Ų40.347%0.46723%0.227SC..SBendtrans-86.2-33.3-178.1179.50000112.3T237 R238 I344V235-T237 VanDerWaalsContact C-N 3.34Å; V235-T237 PolarHBondContact O-N 2.87Å; V235-R238 WeakPolarHBondContact O-CB 3.41Å; V235-R238 WeakPolarHBondContact O-CG 3.37Å; V235-R238 PolarHBondContact O-N 3.46Å; V235-I344 HydrophobicContact CG1-CB 3.99Å; V235-I344 HydrophobicContact CG1-CD1 3.99Å; V235-I344 HydrophobicContact CG1-CG1 3.49Å; V235-I344 VanDerWaalsContact CG1-CG1 3.49Å; V235-I344 HydrophobicContact CG1-CG2 4.02Å
236G54.2Low72Confident46 Ų4638.6 Ų38.647%0.47422%0.22SC..G310 helixtrans-69.1-21.9-170.900000115.8R238G236-R238 PolarHBondContact O-N 2.99Å
237T61.7Low72.6Confident25 Ų2542 Ų4215%0.15324%0.241CC..G310 helixtrans-69.1-15.2175.6-66.40000112.7N89 D201 K203 V235 S239 M241N89-T237 PolarHBondContact ND2-OG1 3.14Å; D201-T237 WeakPolarHBondContact OD1-CG2 3.28Å; K203-T237 PolarHBondContact NZ-OG1 3.26Å; V235-T237 VanDerWaalsContact C-N 3.34Å; V235-T237 PolarHBondContact O-N 2.87Å; T237-S239 PolarHBondContact O-N 3.02Å; T237-M241 HydrophobicContact CG2-CE 4.43Å
238R71.1Confident73.1Confident45 Ų4542.9 Ų42.917%0.1726%0.256CS..G310 helixtrans-79.9-17.1-169.4-57.8-178.2-176.1-179-1.4114.3L15 V235 G236 Y240 M241 L348L15-R238 VanDerWaalsContact CD2-NH1 3.35Å; V235-R238 WeakPolarHBondContact O-CB 3.41Å; V235-R238 WeakPolarHBondContact O-CG 3.37Å; V235-R238 PolarHBondContact O-N 3.46Å; G236-R238 PolarHBondContact O-N 2.99Å; R238-Y240 VanDerWaalsContact C-N 3.3Å; R238-Y240 PolarHBondContact O-N 3.33Å; R238-M241 HydrophobicContact CB-CE 4.27Å; R238-M241 HydrophobicContact CB-SD 3.96Å; R238-M241 HydrophobicContact CG-CE 3.74Å; R238-M241 HydrophobicContact CG-SD 3.91Å; R238-M241 VanDerWaalsContact O-CB 3.29Å; R238-M241 WeakPolarHBondContact O-CB 3.43Å; R238-M241 WeakPolarHBondContact O-CG 3.45Å; R238-M241 PolarHBondContact O-N 2.93Å; R238-M241 VanDerWaalsContact O-N 3.08Å; R238-L348 HydrophobicContact CB-CD2 3.98Å
239S84.5Confident73.8Confident21 Ų2143.8 Ų43.815%0.14727%0.265CS..G310 helixtrans-60.5-36.9-176.3-52.80000112.9T237 M241 Y272 L347 I351T237-S239 PolarHBondContact O-N 3.02Å; S239-M241 VanDerWaalsContact C-N 3.31Å; S239-M241 PolarHBondContact O-N 2.79Å; S239-Y272 VanDerWaalsContact C-OH 3.31Å; S239-Y272 WeakPolarHBondContact CB-OH 3.2Å; S239-Y272 PolarHBondContact O-OH 2.9Å; S239-L347 WeakPolarHBondContact OG-CD2 3.33Å; S239-I351 WeakPolarHBondContact O-CD1 3.44Å
240Y92.3Very high74.6Confident30 Ų3048.8 Ų48.812%0.11829%0.285CS..G310 helixtrans-84.8-2.7179.8-57.8-91000113.5K203 R238 S259 L262 E266 Y272K203-Y240 HydrophobicContact CB-CD1 4.07Å; K203-Y240 HydrophobicContact CB-CD2 3.76Å; K203-Y240 HydrophobicContact CB-CE1 4.14Å; K203-Y240 HydrophobicContact CB-CE2 3.85Å; K203-Y240 HydrophobicContact CB-CG 3.89Å; K203-Y240 HydrophobicContact CD-CD2 4.03Å; K203-Y240 HydrophobicContact CD-CE2 4.08Å; R238-Y240 VanDerWaalsContact C-N 3.3Å; R238-Y240 PolarHBondContact O-N 3.33Å; Y240-S259 WeakPolarHBondContact O-CA 3.38Å; Y240-S259 WeakPolarHBondContact O-CB 3.41Å; Y240-S259 PolarHBondContact O-OG 2.64Å; Y240-L262 HydrophobicContact CD1-CB 4.19Å; Y240-E266 VanDerWaalsContact CE1-OE2 3.25Å; Y240-E266 WeakPolarHBondContact CE1-OE2 3.25Å; Y240-E266 PolarHBondContact OH-OE1 3.49Å; Y240-E266 PolarHBondContact OH-OE2 3.2Å; Y240-Y272 HydrophobicContact CD1-CE2 4.28Å; Y240-Y272 HydrophobicContact CE1-CD2 4.09Å; Y240-Y272 AromaticContact CE1-CE2 3.88Å; Y240-Y272 HydrophobicContact CE1-CE2 3.88Å; Y240-Y272 HydrophobicContact CE2-CE2 4.44Å; Y240-Y272 AromaticContact CZ-CD2 3.97Å; Y240-Y272 AromaticContact CZ-CE2 3.95Å
241M90.6Very high75.3Confident14 Ų1448.3 Ų48.37%0.06928%0.28CS..  trans-66.2139.8-175.1-70.7-177179.300111.6T237 R238 S239 R245 L246 W258T237-M241 HydrophobicContact CG2-CE 4.43Å; R238-M241 HydrophobicContact CB-CE 4.27Å; R238-M241 HydrophobicContact CB-SD 3.96Å; R238-M241 HydrophobicContact CG-CE 3.74Å; R238-M241 HydrophobicContact CG-SD 3.91Å; R238-M241 VanDerWaalsContact O-CB 3.29Å; R238-M241 WeakPolarHBondContact O-CB 3.43Å; R238-M241 WeakPolarHBondContact O-CG 3.45Å; R238-M241 PolarHBondContact O-N 2.93Å; R238-M241 VanDerWaalsContact O-N 3.08Å; S239-M241 VanDerWaalsContact C-N 3.31Å; S239-M241 PolarHBondContact O-N 2.79Å; M241-R245 HydrophobicContact SD-CG 4.46Å; M241-L246 HydrophobicContact CB-CD2 3.86Å; M241-L246 HydrophobicContact CB-CG 4.1Å; M241-L246 HydrophobicContact SD-CD2 3.96Å; M241-W258 PolarHBondContact O-NE1 3.07Å
242A92.1Very high76.8Confident0 Ų049.4 Ų49.40%029%0.287CS..  trans-67.2148.9175.100000112E244 R245 L246 W258A242-E244 HydrophobicContact CB-CG 4.5Å; A242-E244 WeakPolarHBondContact CB-OE1 3.25Å; A242-E244 VanDerWaalsContact CB-OE2 3.24Å; A242-E244 WeakPolarHBondContact CB-OE2 3.42Å; A242-E244 PolarHBondContact O-N 3.41Å; A242-R245 WeakPolarHBondContact O-CB 3.17Å; A242-R245 PolarHBondContact O-N 3.46Å; A242-L246 PolarHBondContact O-N 3.18Å; A242-W258 HydrophobicContact CB-CB 3.7Å; A242-W258 HydrophobicContact CB-CD2 4.3Å; A242-W258 HydrophobicContact CB-CG 3.64Å
243P92.7Very high78.7Confident10 Ų1044.1 Ų44.17%0.06526%0.259CS..Hα-helixtrans-54.1-41.8-177-25.633.1000112.7R245 L246 T247 W258 I351 K378P243-R245 PolarHBondContact O-N 3Å; P243-L246 PolarHBondContact O-N 2.72Å; P243-L246 VanDerWaalsContact O-N 3.07Å; P243-T247 PolarHBondContact O-N 2.96Å; P243-T247 VanDerWaalsContact O-N 3.07Å; P243-T247 PolarHBondContact O-OG1 2.85Å; P243-W258 HydrophobicContact CG-CD2 4.47Å; P243-W258 HydrophobicContact CG-CE3 4.28Å; P243-W258 HydrophobicContact CG-CH2 3.6Å; P243-W258 HydrophobicContact CG-CZ2 3.83Å; P243-W258 HydrophobicContact CG-CZ3 3.84Å; P243-I351 HydrophobicContact CB-CG2 4.5Å; P243-I351 HydrophobicContact CG-CG2 3.96Å; P243-K378 HydrophobicContact CG-CG 4.36Å
244E91.5Very high80.9Confident11 Ų1141.9 Ų41.95%0.05124%0.241CC..Hα-helixtrans-62.1-32.7-178.870.8-83.9-170.600112.5A242 T247 G248 S249 S255 P380 R383A242-E244 HydrophobicContact CB-CG 4.5Å; A242-E244 WeakPolarHBondContact CB-OE1 3.25Å; A242-E244 VanDerWaalsContact CB-OE2 3.24Å; A242-E244 WeakPolarHBondContact CB-OE2 3.42Å; A242-E244 PolarHBondContact O-N 3.41Å; E244-T247 WeakPolarHBondContact CA-OG1 2.83Å; E244-T247 PolarHBondContact O-OG1 3.39Å; E244-T247 VanDerWaalsContact O-OG1 3.09Å; E244-G248 PolarHBondContact O-N 3.42Å; E244-S249 WeakPolarHBondContact O-CA 3.49Å; E244-S249 WeakPolarHBondContact O-CB 3.25Å; E244-S249 PolarHBondContact O-N 3.43Å; E244-S255 WeakPolarHBondContact OE1-CA 3.16Å; E244-S255 WeakPolarHBondContact OE1-CB 3.46Å; E244-S255 PolarHBondContact OE1-OG 3.09Å; E244-P380 HydrophobicContact CB-CG 3.73Å; E244-P380 VanDerWaalsContact CD-CG 3.49Å; E244-P380 HydrophobicContact CG-CG 3.58Å; E244-R383 IonicContact OE1-CZ 3.8Å; E244-R383 IonicContact OE1-NH1 2.72Å; E244-R383 PolarHBondContact OE1-NH1 2.98Å; E244-R383 IonicContact OE1-NH2 2.97Å; E244-R383 IonicContact OE2-CZ 2.75Å; E244-R383 IonicContact OE2-NH1 3.44Å; E244-R383 PolarHBondContact OE2-NH1 3.01Å; E244-R383 IonicContact OE2-NH2 3.92Å; E244-R383 PolarHBondContact OE2-NH2 3.28Å
245R86Confident82.8Confident30 Ų3037.8 Ų37.811%0.11322%0.223CC..Hα-helixtrans-71.4-37.8176.6-171.5-171.4-169.6166.9-5.6111R200 M241 A242 P243 T247 G248 Y251R200-R245 PolarHBondContact O-NH1 3.41Å; M241-R245 HydrophobicContact SD-CG 4.46Å; A242-R245 WeakPolarHBondContact O-CB 3.17Å; A242-R245 PolarHBondContact O-N 3.46Å; P243-R245 PolarHBondContact O-N 3Å; R245-T247 VanDerWaalsContact C-N 3.29Å; R245-T247 PolarHBondContact O-N 3.33Å; R245-G248 PolarHBondContact O-N 2.89Å; R245-Y251 HydrophobicContact CB-CD2 4.18Å; R245-Y251 VanDerWaalsContact CD-CD2 3.44Å; R245-Y251 HydrophobicContact CG-CD2 3.84Å; R245-Y251 HydrophobicContact CG-CE2 4.39Å
246L85.4Confident84.8Confident25 Ų2534.1 Ų34.113%0.13120%0.2CC..Hα-helixtrans-69.9-28.9179.5-62.8177.7000112M241 A242 P243 G248 L348 I351 V352M241-L246 HydrophobicContact CB-CD2 3.86Å; M241-L246 HydrophobicContact CB-CG 4.1Å; M241-L246 HydrophobicContact SD-CD2 3.96Å; A242-L246 PolarHBondContact O-N 3.18Å; P243-L246 PolarHBondContact O-N 2.72Å; P243-L246 VanDerWaalsContact O-N 3.07Å; L246-G248 VanDerWaalsContact C-N 3.32Å; L246-L348 HydrophobicContact CD1-CB 4.37Å; L246-L348 HydrophobicContact CD1-CD2 3.9Å; L246-L348 HydrophobicContact CD2-CD1 4.5Å; L246-L348 HydrophobicContact CD2-CD2 3.82Å; L246-I351 HydrophobicContact CD1-CB 3.96Å; L246-I351 HydrophobicContact CD1-CD1 4.31Å; L246-I351 HydrophobicContact CD1-CG2 3.66Å; L246-V352 HydrophobicContact CB-CG2 3.65Å; L246-V352 HydrophobicContact CD1-CG2 3.91Å; L246-V352 HydrophobicContact CG-CG2 4.44Å
247T84.3Confident86.9Confident85 Ų8532 Ų3252%0.52118%0.178SC..THydrogen-bonded Turntrans-87.84.1174.9580000113.7P243 E244 R245 V352P243-T247 PolarHBondContact O-N 2.96Å; P243-T247 VanDerWaalsContact O-N 3.07Å; P243-T247 PolarHBondContact O-OG1 2.85Å; E244-T247 WeakPolarHBondContact CA-OG1 2.83Å; E244-T247 PolarHBondContact O-OG1 3.39Å; E244-T247 VanDerWaalsContact O-OG1 3.09Å; R245-T247 VanDerWaalsContact C-N 3.29Å; R245-T247 PolarHBondContact O-N 3.33Å; T247-V352 HydrophobicContact CG2-CG1 3.63Å; T247-V352 HydrophobicContact CG2-CG2 4.17Å
248G80.8Confident88.6Confident40 Ų4030.9 Ų30.941%0.41217%0.171SC..THydrogen-bonded Turntrans81.614.9176.800000115.3E244 R245 L246E244-G248 PolarHBondContact O-N 3.42Å; R245-G248 PolarHBondContact O-N 2.89Å; L246-G248 VanDerWaalsContact C-N 3.32Å
249S83.4Confident89.8Confident65 Ų6528.9 Ų28.946%0.45516%0.164SC..PPolyproline II helixtrans-76.4163.8169.2-58.40000111.6E244 Y251E244-S249 WeakPolarHBondContact O-CA 3.49Å; E244-S249 WeakPolarHBondContact O-CB 3.25Å; E244-S249 PolarHBondContact O-N 3.43Å; S249-Y251 PolarHBondContact O-N 2.83Å
250H81.9Confident90.4Very high139 Ų13927.9 Ų27.964%0.64416%0.157SC*.PPolyproline II helixtrans-62.1131.4-177.2-68.985.1000112.5
251Y81.3Confident90.7Very high40 Ų4026.5 Ų26.516%0.15715%0.151CC..PPolyproline II helixtrans-70.6133173-162-90.9000110.2L198 R200 R245 S249 D256L198-Y251 HydrophobicContact CB-CD1 4.27Å; L198-Y251 HydrophobicContact CB-CE1 4.22Å; L198-Y251 HydrophobicContact CD1-CD1 3.79Å; L198-Y251 HydrophobicContact CD1-CE1 4.43Å; R200-Y251 VanDerWaalsContact CA-OH 3.31Å; R200-Y251 WeakPolarHBondContact CA-OH 3.46Å; R200-Y251 HydrophobicContact CB-CE1 4.14Å; R200-Y251 HydrophobicContact CG-CD1 3.81Å; R200-Y251 HydrophobicContact CG-CE1 3.62Å; R245-Y251 HydrophobicContact CB-CD2 4.18Å; R245-Y251 VanDerWaalsContact CD-CD2 3.44Å; R245-Y251 HydrophobicContact CG-CD2 3.84Å; R245-Y251 HydrophobicContact CG-CE2 4.39Å; S249-Y251 PolarHBondContact O-N 2.83Å; Y251-D256 WeakPolarHBondContact CE1-OD1 3.35Å; Y251-D256 PolarHBondContact OH-N 3.02Å; Y251-D256 PolarHBondContact OH-OD1 2.63Å
252S89.4Confident91Very high39 Ų3925.8 Ų25.827%0.27315%0.148SC..  trans-138178.3177.271.40000110.8Q254 S255S252-Q254 PolarHBondContact O-N 3.25Å; S252-Q254 VanDerWaalsContact O-N 3.12Å; S252-Q254 WeakPolarHBondContact OG-CB 3.02Å; S252-Q254 PolarHBondContact OG-N 3.39Å; S252-S255 PolarHBondContact N-OG 2.75Å; S252-S255 VanDerWaalsContact O-CB 3.32Å; S252-S255 WeakPolarHBondContact O-CB 3.39Å; S252-S255 PolarHBondContact O-N 2.99Å
253I93Very high91.3Very high28 Ų2825.8 Ų25.814%0.14415%0.148CC..Hα-helixtrans-57.4-25.9173.4-166.362.7000111.9L188 K192 L198 S255 D256 I257 V386L188-I253 HydrophobicContact CB-CD1 4.3Å; K192-I253 HydrophobicContact CB-CD1 4.14Å; L198-I253 HydrophobicContact CD2-CB 3.9Å; L198-I253 HydrophobicContact CD2-CD1 4.17Å; I253-S255 PolarHBondContact O-N 3.49Å; I253-D256 HydrophobicContact CD1-CB 4.29Å; I253-D256 WeakPolarHBondContact O-CB 3.39Å; I253-D256 PolarHBondContact O-N 3.3Å; I253-D256 VanDerWaalsContact O-N 3.15Å; I253-I257 PolarHBondContact O-N 2.73Å; I253-I257 VanDerWaalsContact O-N 3.1Å; I253-V386 HydrophobicContact CD1-CG2 4.41Å; I253-V386 HydrophobicContact CG1-CG2 3.84Å
254Q96Very high91.6Very high24 Ų2425.3 Ų25.311%0.11215%0.145CC..Hα-helixtrans-63.2-33.1175.7-56.7-62.494.400111.4S252 D256 I257 W258 P380 R383S252-Q254 PolarHBondContact O-N 3.25Å; S252-Q254 VanDerWaalsContact O-N 3.12Å; S252-Q254 WeakPolarHBondContact OG-CB 3.02Å; S252-Q254 PolarHBondContact OG-N 3.39Å; Q254-D256 VanDerWaalsContact C-N 3.34Å; Q254-I257 WeakPolarHBondContact O-CB 3.39Å; Q254-I257 PolarHBondContact O-N 3.44Å; Q254-W258 PolarHBondContact O-N 3.33Å; Q254-W258 VanDerWaalsContact O-N 3.08Å; Q254-P380 HydrophobicContact CB-CB 4.14Å; Q254-P380 PolarHBondContact NE2-O 3.29Å; Q254-R383 PolarHBondContact NE2-O 2.8Å; Q254-R383 WeakPolarHBondContact O-CD 3.45Å; Q254-R383 PolarHBondContact O-NH1 3.32Å
255S94.5Very high91.9Very high0 Ų025 Ų250%014%0.143CC..Hα-helixtrans-70.9-32.6177.8-49.70000111.7E244 S252 I253 W258 S259E244-S255 WeakPolarHBondContact OE1-CA 3.16Å; E244-S255 WeakPolarHBondContact OE1-CB 3.46Å; E244-S255 PolarHBondContact OE1-OG 3.09Å; S252-S255 PolarHBondContact N-OG 2.75Å; S252-S255 VanDerWaalsContact O-CB 3.32Å; S252-S255 WeakPolarHBondContact O-CB 3.39Å; S252-S255 PolarHBondContact O-N 2.99Å; I253-S255 PolarHBondContact O-N 3.49Å; S255-W258 PolarHBondContact O-N 2.87Å; S255-S259 PolarHBondContact O-N 2.9Å; S255-S259 PolarHBondContact O-OG 3.17Å
256D94.7Very high92.4Very high0 Ų024.5 Ų24.50%014%0.143CC..Hα-helixtrans-66.6-39.2170.8-67.3-32.3000111.2L188 H199 R200 V202 Y251 I253 Q254 W258 S259 F260L188-D256 HydrophobicContact CD1-CB 4.2Å; L188-D256 HydrophobicContact CD2-CB 4.04Å; H199-D256 PolarHBondContact N-OD2 3.35Å; R200-D256 PolarHBondContact N-OD1 3.15Å; V202-D256 HydrophobicContact CG2-CB 4.03Å; Y251-D256 WeakPolarHBondContact CE1-OD1 3.35Å; Y251-D256 PolarHBondContact OH-N 3.02Å; Y251-D256 PolarHBondContact OH-OD1 2.63Å; I253-D256 HydrophobicContact CD1-CB 4.29Å; I253-D256 WeakPolarHBondContact O-CB 3.39Å; I253-D256 PolarHBondContact O-N 3.3Å; I253-D256 VanDerWaalsContact O-N 3.15Å; Q254-D256 VanDerWaalsContact C-N 3.34Å; D256-W258 PolarHBondContact O-N 3.33Å; D256-S259 PolarHBondContact O-N 2.74Å; D256-F260 WeakPolarHBondContact O-CB 3.17Å; D256-F260 PolarHBondContact O-N 2.59Å
257I98Very high93Very high0 Ų023.4 Ų23.40%014%0.137CC..Hα-helixtrans-61.4-42175.2-66.8-54.1000112.3L185 L188 I253 Q254 F260 G261 C375 R383 V386 L389L185-I257 HydrophobicContact CD2-CD1 3.96Å; L188-I257 HydrophobicContact CD1-CD1 4.15Å; I253-I257 PolarHBondContact O-N 2.73Å; I253-I257 VanDerWaalsContact O-N 3.1Å; Q254-I257 WeakPolarHBondContact O-CB 3.39Å; Q254-I257 PolarHBondContact O-N 3.44Å; I257-F260 PolarHBondContact O-N 3.25Å; I257-G261 PolarHBondContact O-N 2.94Å; I257-C375 HydrophobicContact CG2-CB 3.92Å; I257-R383 HydrophobicContact CG2-CG 4.02Å; I257-V386 HydrophobicContact CD1-CG2 3.75Å; I257-V386 HydrophobicContact CG1-CG2 4.34Å; I257-L389 HydrophobicContact CD1-CD1 3.67Å; I257-L389 HydrophobicContact CG1-CD1 4.2Å; I257-L389 HydrophobicContact CG2-CD1 3.72Å
258W97.3Very high93.6Very high2 Ų219.3 Ų19.31%0.00811%0.112CC..Hα-helixtrans-60-49.8174.9170.4-80000111.4M241 A242 P243 Q254 S255 D256 F260 G261 L262 I351 P356 C375 L376 K378M241-W258 PolarHBondContact O-NE1 3.07Å; A242-W258 HydrophobicContact CB-CB 3.7Å; A242-W258 HydrophobicContact CB-CD2 4.3Å; A242-W258 HydrophobicContact CB-CG 3.64Å; P243-W258 HydrophobicContact CG-CD2 4.47Å; P243-W258 HydrophobicContact CG-CE3 4.28Å; P243-W258 HydrophobicContact CG-CH2 3.6Å; P243-W258 HydrophobicContact CG-CZ2 3.83Å; P243-W258 HydrophobicContact CG-CZ3 3.84Å; Q254-W258 PolarHBondContact O-N 3.33Å; Q254-W258 VanDerWaalsContact O-N 3.08Å; S255-W258 PolarHBondContact O-N 2.87Å; D256-W258 PolarHBondContact O-N 3.33Å; W258-F260 PolarHBondContact O-N 3.19Å; W258-G261 PolarHBondContact O-N 3.41Å; W258-L262 HydrophobicContact CZ2-CD1 4.48Å; W258-L262 PolarHBondContact O-N 2.91Å; W258-I351 HydrophobicContact CZ2-CG2 4Å; W258-P356 HydrophobicContact CH2-CB 3.96Å; W258-P356 HydrophobicContact CZ3-CB 4.27Å; W258-C375 WeakPolarHBondContact CA-O 3.25Å; W258-L376 HydrophobicContact CD2-CD2 3.95Å; W258-L376 HydrophobicContact CE3-CD2 4.08Å; W258-L376 HydrophobicContact CG-CD2 4.39Å; W258-L376 HydrophobicContact CZ2-CD2 4.47Å; W258-L376 HydrophobicContact CZ3-CB 4.43Å; W258-L376 HydrophobicContact CZ3-CD2 4.42Å; W258-L376 WeakPolarHBondContact CZ3-O 3.33Å; W258-K378 HydrophobicContact CH2-CG 4.09Å; W258-K378 HydrophobicContact CZ3-CG 3.95Å
259S96.1Very high94.3Very high3 Ų317.6 Ų17.62%0.0219%0.093CC..Hα-helixtrans-59.3-38.6-179.2-49.80000110.6V202 Y240 S255 D256 S263V202-S259 VanDerWaalsContact O-CB 3.25Å; V202-S259 WeakPolarHBondContact O-CB 3.19Å; Y240-S259 WeakPolarHBondContact O-CA 3.38Å; Y240-S259 WeakPolarHBondContact O-CB 3.41Å; Y240-S259 PolarHBondContact O-OG 2.64Å; S255-S259 PolarHBondContact O-N 2.9Å; S255-S259 PolarHBondContact O-OG 3.17Å; D256-S259 PolarHBondContact O-N 2.74Å; S259-S263 PolarHBondContact O-N 3.35Å; S259-S263 VanDerWaalsContact O-N 3.09Å; S259-S263 PolarHBondContact O-OG 3.37Å
260F98.1Very high94.8Very high1 Ų115.9 Ų15.90%0.0049%0.085CC..Hα-helixtrans-65.9-43.6173.2-178.5-126.2000113.2S181 V184 L185 V202 D256 I257 W258 L262 S263 L264 F371S181-F260 WeakPolarHBondContact OG-CZ 3.35Å; V184-F260 HydrophobicContact CB-CD2 4.06Å; V184-F260 HydrophobicContact CB-CE2 3.73Å; V184-F260 HydrophobicContact CB-CZ 4.02Å; V184-F260 HydrophobicContact CG1-CD1 4.28Å; V184-F260 HydrophobicContact CG1-CD2 3.5Å; V184-F260 HydrophobicContact CG1-CE1 4.45Å; V184-F260 HydrophobicContact CG1-CE2 3.73Å; V184-F260 HydrophobicContact CG1-CG 3.83Å; V184-F260 HydrophobicContact CG1-CZ 4.23Å; V184-F260 HydrophobicContact CG2-CD2 4.27Å; V184-F260 HydrophobicContact CG2-CE2 3.83Å; V184-F260 HydrophobicContact CG2-CZ 4.47Å; L185-F260 HydrophobicContact CD2-CE1 4.49Å; L185-F260 HydrophobicContact CG-CE1 4.42Å; V202-F260 HydrophobicContact CG1-CB 4.03Å; V202-F260 HydrophobicContact CG1-CD2 4.36Å; D256-F260 WeakPolarHBondContact O-CB 3.17Å; D256-F260 PolarHBondContact O-N 2.59Å; I257-F260 PolarHBondContact O-N 3.25Å; W258-F260 PolarHBondContact O-N 3.19Å; F260-L262 VanDerWaalsContact C-N 3.35Å; F260-L262 PolarHBondContact O-N 3.3Å; F260-S263 WeakPolarHBondContact O-CB 3.45Å; F260-S263 PolarHBondContact O-N 3.3Å; F260-L264 HydrophobicContact CD1-CD1 4.33Å; F260-L264 HydrophobicContact CD2-CG 4.38Å; F260-L264 HydrophobicContact CE1-CD1 3.65Å; F260-L264 HydrophobicContact CE1-CG 4.24Å; F260-L264 HydrophobicContact CE2-CD1 4.1Å; F260-L264 HydrophobicContact CE2-CD2 3.92Å; F260-L264 HydrophobicContact CE2-CG 3.76Å; F260-L264 HydrophobicContact CZ-CD1 3.48Å; F260-L264 VanDerWaalsContact CZ-CD1 3.48Å; F260-L264 HydrophobicContact CZ-CD2 3.79Å; F260-L264 HydrophobicContact CZ-CG 3.64Å; F260-L264 PolarHBondContact O-N 3.2Å; F260-F371 HydrophobicContact CE1-CE1 4.07Å; F260-F371 HydrophobicContact CE1-CZ 4.2Å
261G98.1Very high95.4Very high0 Ų012.2 Ų12.20%07%0.068CC..Hα-helixtrans-58.2-43.6175.300000112.9I257 W258 S263 L264 I265I257-G261 PolarHBondContact O-N 2.94Å; W258-G261 PolarHBondContact O-N 3.41Å; G261-S263 VanDerWaalsContact C-N 3.34Å; G261-S263 PolarHBondContact O-N 3.49Å; G261-L264 PolarHBondContact O-N 2.81Å; G261-I265 PolarHBondContact O-N 3.39Å
262L97.2Very high96Very high0 Ų012.7 Ų12.70%07%0.069CC..Hα-helixtrans-63-42.5175.3-77.7-179.9000111.6Y240 W258 F260 L264 I265 E266 P273 I274 P357 L376Y240-L262 HydrophobicContact CD1-CB 4.19Å; W258-L262 HydrophobicContact CZ2-CD1 4.48Å; W258-L262 PolarHBondContact O-N 2.91Å; F260-L262 VanDerWaalsContact C-N 3.35Å; F260-L262 PolarHBondContact O-N 3.3Å; L262-L264 VanDerWaalsContact C-N 3.29Å; L262-L264 PolarHBondContact O-N 3Å; L262-I265 PolarHBondContact O-N 3.26Å; L262-E266 PolarHBondContact O-N 3.41Å; L262-P273 HydrophobicContact CD2-CG 3.97Å; L262-I274 HydrophobicContact CD2-CD1 4.06Å; L262-I274 HydrophobicContact CD2-CG1 4.49Å; L262-P357 HydrophobicContact CD2-CG 3.85Å; L262-L376 HydrophobicContact CD2-CD1 4.49Å; L262-L376 HydrophobicContact CD2-CD2 3.99Å; L262-L376 HydrophobicContact CG-CD2 3.8Å
263S97.8Very high96.2Very high0 Ų010.9 Ų10.90%06%0.057CC..Hα-helixtrans-59.6-40.1177.7-55.50000111.8K203 S259 F260 G261 E266 L267K203-S263 WeakPolarHBondContact CA-OG 3.34Å; S259-S263 PolarHBondContact O-N 3.35Å; S259-S263 VanDerWaalsContact O-N 3.09Å; S259-S263 PolarHBondContact O-OG 3.37Å; F260-S263 WeakPolarHBondContact O-CB 3.45Å; F260-S263 PolarHBondContact O-N 3.3Å; G261-S263 VanDerWaalsContact C-N 3.34Å; G261-S263 PolarHBondContact O-N 3.49Å; S263-E266 PolarHBondContact O-N 2.89Å; S263-L267 WeakPolarHBondContact O-CG 3.42Å; S263-L267 PolarHBondContact O-N 3.04Å
264L98.4Very high96.1Very high0 Ų010 Ų100%05%0.052CC..Hα-helixtrans-66.4-42.1178.5-75.6176.7000112.8L177 F260 G261 L262 E266 L267 A268 F368 F371 V372L177-L264 HydrophobicContact CB-CD2 4.28Å; L177-L264 HydrophobicContact CD2-CD2 4.1Å; F260-L264 HydrophobicContact CD1-CD1 4.33Å; F260-L264 HydrophobicContact CD2-CG 4.38Å; F260-L264 HydrophobicContact CE1-CD1 3.65Å; F260-L264 HydrophobicContact CE1-CG 4.24Å; F260-L264 HydrophobicContact CE2-CD1 4.1Å; F260-L264 HydrophobicContact CE2-CD2 3.92Å; F260-L264 HydrophobicContact CE2-CG 3.76Å; F260-L264 HydrophobicContact CZ-CD1 3.48Å; F260-L264 VanDerWaalsContact CZ-CD1 3.48Å; F260-L264 HydrophobicContact CZ-CD2 3.79Å; F260-L264 HydrophobicContact CZ-CG 3.64Å; F260-L264 PolarHBondContact O-N 3.2Å; G261-L264 PolarHBondContact O-N 2.81Å; L262-L264 VanDerWaalsContact C-N 3.29Å; L262-L264 PolarHBondContact O-N 3Å; L264-E266 VanDerWaalsContact C-N 3.34Å; L264-L267 PolarHBondContact O-N 3.44Å; L264-A268 VanDerWaalsContact O-CB 3.25Å; L264-A268 WeakPolarHBondContact O-CB 3.42Å; L264-A268 PolarHBondContact O-N 3.32Å; L264-F368 HydrophobicContact CB-CE2 4.48Å; L264-F368 HydrophobicContact CB-CZ 4.32Å; L264-F368 HydrophobicContact CD1-CE2 4.45Å; L264-F371 HydrophobicContact CD1-CD1 3.98Å; L264-F371 HydrophobicContact CD1-CE1 3.53Å; L264-V372 HydrophobicContact CB-CG1 4.04Å; L264-V372 HydrophobicContact CD1-CG1 4.14Å
265I97.4Very high95.9Very high3 Ų311.8 Ų11.82%0.0157%0.066CC..Hα-helixtrans-64.2-43.8176.2-62.4-175.7000109.7G261 L262 L267 A268 I269 P273 P357 L359 V372 L376G261-I265 PolarHBondContact O-N 3.39Å; L262-I265 PolarHBondContact O-N 3.26Å; I265-L267 PolarHBondContact O-N 2.93Å; I265-A268 WeakPolarHBondContact O-CB 3.31Å; I265-A268 PolarHBondContact O-N 3.12Å; I265-I269 HydrophobicContact CG2-CD1 4.23Å; I265-I269 HydrophobicContact CG2-CG2 4.21Å; I265-I269 WeakPolarHBondContact O-CG1 3.45Å; I265-I269 WeakPolarHBondContact O-CG2 3.34Å; I265-I269 PolarHBondContact O-N 3.34Å; I265-P273 HydrophobicContact CB-CB 4.19Å; I265-P273 HydrophobicContact CB-CG 4.27Å; I265-P273 HydrophobicContact CG2-CB 3.52Å; I265-P273 HydrophobicContact CG2-CG 4.15Å; I265-P357 HydrophobicContact CD1-CB 3.96Å; I265-L359 HydrophobicContact CG1-CD1 4.45Å; I265-L359 HydrophobicContact CG1-CG 4.42Å; I265-L359 HydrophobicContact CG2-CD2 4.07Å; I265-L359 HydrophobicContact CG2-CG 4.43Å; I265-V372 HydrophobicContact CD1-CB 4.47Å; I265-V372 HydrophobicContact CD1-CG2 4.34Å; I265-V372 HydrophobicContact CG1-CB 4.27Å; I265-V372 HydrophobicContact CG1-CG1 4.39Å; I265-V372 HydrophobicContact CG1-CG2 4.33Å; I265-L376 HydrophobicContact CD1-CD1 3.36Å; I265-L376 HydrophobicContact CG1-CD1 4.31Å
266E97Very high95.7Very high21 Ų2113.9 Ų13.910%0.0988%0.079CC..Hα-helixtrans-55.9-49.7176.8176.3175.6-166.900112.5L166 P204 Y240 L262 S263 L264 A268 I269 G270 K271L166-E266 HydrophobicContact CD2-CG 3.96Å; P204-E266 WeakPolarHBondContact CG-OE2 3.24Å; Y240-E266 VanDerWaalsContact CE1-OE2 3.25Å; Y240-E266 WeakPolarHBondContact CE1-OE2 3.25Å; Y240-E266 PolarHBondContact OH-OE1 3.49Å; Y240-E266 PolarHBondContact OH-OE2 3.2Å; L262-E266 PolarHBondContact O-N 3.41Å; S263-E266 PolarHBondContact O-N 2.89Å; L264-E266 VanDerWaalsContact C-N 3.34Å; E266-A268 VanDerWaalsContact C-N 3.29Å; E266-A268 PolarHBondContact O-N 2.87Å; E266-I269 PolarHBondContact O-N 3.23Å; E266-G270 WeakPolarHBondContact O-CA 3.45Å; E266-G270 PolarHBondContact O-N 3.01Å; E266-K271 WeakPolarHBondContact CA-O 3.42Å; E266-K271 PolarHBondContact O-N 3.3Å
267L97.8Very high95.6Very high1 Ų114.3 Ų14.31%0.0058%0.081CC..Hα-helixtrans-64.9-34.6179.2-66.3169.7000111.9L162 L166 F172 L177 P204 S263 L264 I265L162-L267 HydrophobicContact CB-CD2 4.11Å; L162-L267 HydrophobicContact CD1-CD1 3.85Å; L166-L267 HydrophobicContact CB-CD2 4.24Å; L166-L267 HydrophobicContact CD1-CD2 4.07Å; L166-L267 HydrophobicContact CD2-CD2 4.24Å; L166-L267 HydrophobicContact CG-CD2 4.42Å; F172-L267 HydrophobicContact CB-CB 4.4Å; F172-L267 HydrophobicContact CD1-CD2 4.48Å; F172-L267 HydrophobicContact CD2-CB 4.19Å; F172-L267 HydrophobicContact CD2-CD1 4.42Å; F172-L267 HydrophobicContact CD2-CD2 4.18Å; F172-L267 HydrophobicContact CE1-CD2 4.16Å; F172-L267 HydrophobicContact CE2-CD1 4.34Å; F172-L267 HydrophobicContact CE2-CD2 3.81Å; F172-L267 HydrophobicContact CE2-CG 4.5Å; F172-L267 HydrophobicContact CG-CB 4.22Å; F172-L267 HydrophobicContact CG-CD2 4.5Å; F172-L267 HydrophobicContact CZ-CD2 3.79Å; F172-L267 PolarHBondContact N-O 2.75Å; L177-L267 HydrophobicContact CD2-CB 3.58Å; L177-L267 HydrophobicContact CD2-CD1 4.13Å; P204-L267 HydrophobicContact CB-CD2 4.18Å; P204-L267 HydrophobicContact CG-CD2 4.28Å; P204-L267 HydrophobicContact CG-CG 4.25Å; S263-L267 WeakPolarHBondContact O-CG 3.42Å; S263-L267 PolarHBondContact O-N 3.04Å; L264-L267 PolarHBondContact O-N 3.44Å; I265-L267 PolarHBondContact O-N 2.93Å
268A97.1Very high95.2Very high0 Ų019 Ų190%011%0.106CC..Hα-helixtrans-68.4-42.6177.400000112.9R171 L177 L264 I265 E266 M364 F368R171-A268 WeakPolarHBondContact CD-O 3.39Å; L177-A268 HydrophobicContact CD1-CB 3.74Å; L264-A268 VanDerWaalsContact O-CB 3.25Å; L264-A268 WeakPolarHBondContact O-CB 3.42Å; L264-A268 PolarHBondContact O-N 3.32Å; I265-A268 WeakPolarHBondContact O-CB 3.31Å; I265-A268 PolarHBondContact O-N 3.12Å; E266-A268 VanDerWaalsContact C-N 3.29Å; E266-A268 PolarHBondContact O-N 2.87Å; A268-M364 HydrophobicContact CB-CE 3.62Å; A268-F368 HydrophobicContact CB-CE1 4.16Å; A268-F368 HydrophobicContact CB-CZ 4.27Å
269I95.8Very high94.6Very high4 Ų421.2 Ų21.22%0.02112%0.122CC..Hα-helixtrans-95.7-16.3-174.775.6178.2000113.2R171 I265 E266 K271 P273 P277 F282 I285 F286 L359R171-I269 WeakPolarHBondContact CD-O 3.19Å; I265-I269 HydrophobicContact CG2-CD1 4.23Å; I265-I269 HydrophobicContact CG2-CG2 4.21Å; I265-I269 WeakPolarHBondContact O-CG1 3.45Å; I265-I269 WeakPolarHBondContact O-CG2 3.34Å; I265-I269 PolarHBondContact O-N 3.34Å; E266-I269 PolarHBondContact O-N 3.23Å; I269-K271 HydrophobicContact CD1-CG 3.85Å; I269-K271 VanDerWaalsContact CD1-O 3.29Å; I269-K271 WeakPolarHBondContact CD1-O 3.39Å; I269-K271 HydrophobicContact CG1-CG 3.88Å; I269-K271 WeakPolarHBondContact CG1-O 3.17Å; I269-P273 HydrophobicContact CD1-CB 3.99Å; I269-P277 HydrophobicContact CD1-CG 3.94Å; I269-F282 HydrophobicContact CG2-CE1 4.15Å; I269-I285 HydrophobicContact CB-CG2 4.47Å; I269-I285 WeakPolarHBondContact O-CG2 3.33Å; I269-F286 HydrophobicContact CG2-CE2 4.15Å; I269-F286 HydrophobicContact CG2-CZ 4.26Å; I269-L359 HydrophobicContact CG2-CD2 3.67Å
270G94.9Very high94.3Very high28 Ų2825.5 Ų25.529%0.28915%0.148SC..THydrogen-bonded Turntrans87.38.2178.400000115.8G170 E266G170-G270 WeakPolarHBondContact O-CA 3.48Å; E266-G270 WeakPolarHBondContact O-CA 3.45Å; E266-G270 PolarHBondContact O-N 3.01Å
271K93.5Very high93.9Very high63 Ų6327.7 Ų27.727%0.27416%0.159SC..SBendtrans-156.2157.9-179.864.4168.5-165.5156.50110.5E266 I269 E281 I285E266-K271 WeakPolarHBondContact CA-O 3.42Å; E266-K271 PolarHBondContact O-N 3.3Å; I269-K271 HydrophobicContact CD1-CG 3.85Å; I269-K271 VanDerWaalsContact CD1-O 3.29Å; I269-K271 WeakPolarHBondContact CD1-O 3.39Å; I269-K271 HydrophobicContact CG1-CG 3.88Å; I269-K271 WeakPolarHBondContact CG1-O 3.17Å; K271-E281 WeakPolarHBondContact CE-OE1 3.49Å; K271-E281 IonicContact NZ-OE1 3.7Å; K271-E281 PolarHBondContact NZ-OE1 3.08Å; K271-E281 IonicContact NZ-OE2 3.99Å; K271-E281 PolarHBondContact NZ-OE2 3.15Å; K271-I285 HydrophobicContact CD-CD1 4.48Å
272Y93.3Very high93.6Very high50 Ų5028 Ų2820%0.19616%0.16CC..  trans-58.5132.4176.9-174.9-105.4000111.3S239 Y240 I274 L347S239-Y272 VanDerWaalsContact C-OH 3.31Å; S239-Y272 WeakPolarHBondContact CB-OH 3.2Å; S239-Y272 PolarHBondContact O-OH 2.9Å; Y240-Y272 HydrophobicContact CD1-CE2 4.28Å; Y240-Y272 HydrophobicContact CE1-CD2 4.09Å; Y240-Y272 AromaticContact CE1-CE2 3.88Å; Y240-Y272 HydrophobicContact CE1-CE2 3.88Å; Y240-Y272 HydrophobicContact CE2-CE2 4.44Å; Y240-Y272 AromaticContact CZ-CD2 3.97Å; Y240-Y272 AromaticContact CZ-CE2 3.95Å; Y272-I274 VanDerWaalsContact C-N 3.35Å; Y272-I274 HydrophobicContact CD1-CB 4.37Å; Y272-I274 WeakPolarHBondContact CD1-O 3.4Å; Y272-I274 HydrophobicContact CE1-CB 3.68Å; Y272-I274 HydrophobicContact CE1-CG1 4.35Å; Y272-I274 WeakPolarHBondContact CE1-O 3.5Å; Y272-I274 PolarHBondContact O-N 3.29Å; Y272-L347 HydrophobicContact CE1-CD1 3.82Å; Y272-L347 HydrophobicContact CE1-CD2 4.13Å
273P93.5Very high93.1Very high0 Ų028.4 Ų28.40%016%0.164CC..  trans-88.27.8-163.835.4-39.4000115.2L262 I265 I269 P275 V276 P357L262-P273 HydrophobicContact CD2-CG 3.97Å; I265-P273 HydrophobicContact CB-CB 4.19Å; I265-P273 HydrophobicContact CB-CG 4.27Å; I265-P273 HydrophobicContact CG2-CB 3.52Å; I265-P273 HydrophobicContact CG2-CG 4.15Å; I269-P273 HydrophobicContact CD1-CB 3.99Å; P273-P275 CarbonylContact C-O 3.6Å; P273-P275 CarbonylContact O-C 3.29Å; P273-P275 VanDerWaalsContact O-C 3.29Å; P273-V276 WeakPolarHBondContact O-CA 3.12Å; P273-V276 PolarHBondContact O-N 2.95Å; P273-P357 HydrophobicContact CB-CB 4.18Å; P273-P357 HydrophobicContact CB-CG 4.32Å; P273-P357 HydrophobicContact CG-CG 4.41Å
274I92.5Very high92.8Very high11 Ų1137.1 Ų37.16%0.05620%0.197CC..SBendtrans-123.3121.7178.2-55178000109.6L262 Y272 M342 L347 Y350 I351 P357L262-I274 HydrophobicContact CD2-CD1 4.06Å; L262-I274 HydrophobicContact CD2-CG1 4.49Å; Y272-I274 VanDerWaalsContact C-N 3.35Å; Y272-I274 HydrophobicContact CD1-CB 4.37Å; Y272-I274 WeakPolarHBondContact CD1-O 3.4Å; Y272-I274 HydrophobicContact CE1-CB 3.68Å; Y272-I274 HydrophobicContact CE1-CG1 4.35Å; Y272-I274 WeakPolarHBondContact CE1-O 3.5Å; Y272-I274 PolarHBondContact O-N 3.29Å; I274-M342 HydrophobicContact CG2-CE 4.05Å; I274-L347 HydrophobicContact CB-CD1 3.67Å; I274-L347 HydrophobicContact CG2-CD1 3.32Å; I274-Y350 HydrophobicContact CG2-CD1 3.36Å; I274-Y350 HydrophobicContact CG2-CD2 4.43Å; I274-Y350 HydrophobicContact CG2-CE1 3.84Å; I274-Y350 HydrophobicContact CG2-CG 3.73Å; I274-I351 HydrophobicContact CD1-CD1 4.27Å; I274-I351 HydrophobicContact CD1-CG1 3.55Å; I274-P357 HydrophobicContact CD1-CG 4.07Å; I274-P357 HydrophobicContact CG1-CG 3.63Å
275P90.9Very high92.3Very high60 Ų6038.2 Ų38.239%0.3920%0.202SC..SBendcis-66.2155.30.626.7-27.1000112P273 M342 Y350P273-P275 CarbonylContact C-O 3.6Å; P273-P275 CarbonylContact O-C 3.29Å; P273-P275 VanDerWaalsContact O-C 3.29Å; P275-M342 HydrophobicContact CB-CE 3.39Å; P275-M342 HydrophobicContact CG-CE 3.54Å; P275-Y350 HydrophobicContact CB-CE2 4.2Å
276V91.3Very high91.9Very high45 Ų4539.6 Ų39.627%0.27321%0.208SC..PPolyproline II helixtrans-61129.7178.8-176.60000108.7P273 F282 Y350 P357P273-V276 WeakPolarHBondContact O-CA 3.12Å; P273-V276 PolarHBondContact O-N 2.95Å; V276-F282 HydrophobicContact CG1-CE2 4.24Å; V276-F282 HydrophobicContact CG1-CZ 4.35Å; V276-Y350 HydrophobicContact CG2-CE1 4.45Å; V276-P357 HydrophobicContact CG2-CB 3.96Å; V276-P357 HydrophobicContact CG2-CG 4.12Å
277P91.1Very high91.3Very high9 Ų942 Ų426%0.05824%0.239CC..PPolyproline II helixtrans-56.9144.1174.7-21.431.7000111.1I269 E281 F282I269-P277 HydrophobicContact CD1-CG 3.94Å; P277-E281 HydrophobicContact CB-CB 4.08Å; P277-E281 HydrophobicContact CB-CG 4.19Å; P277-F282 HydrophobicContact CB-CD1 4.26Å; P277-F282 HydrophobicContact CB-CD2 4.03Å; P277-F282 HydrophobicContact CB-CE1 4.08Å; P277-F282 HydrophobicContact CB-CE2 3.86Å; P277-F282 HydrophobicContact CB-CG 4.24Å; P277-F282 HydrophobicContact CB-CZ 3.88Å; P277-F282 HydrophobicContact CG-CE1 3.96Å; P277-F282 HydrophobicContact CG-CE2 4.31Å; P277-F282 HydrophobicContact CG-CZ 3.84Å; P277-F282 WeakPolarHBondContact O-CD2 3.48Å; P277-F282 WeakPolarHBondContact O-CE2 3.41Å
278D90Very high90.2Very high97 Ų9746.5 Ų46.552%0.51926%0.258SS..PPolyproline II helixtrans-77.3172.8171.967.137.3000111.7T280 E281 F282D278-T280 PolarHBondContact O-N 3.28Å; D278-T280 WeakPolarHBondContact OD1-CA 3.31Å; D278-T280 WeakPolarHBondContact OD1-CB 3.22Å; D278-T280 PolarHBondContact OD1-N 3.16Å; D278-E281 PolarHBondContact O-N 2.9Å; D278-E281 VanDerWaalsContact O-N 3.15Å; D278-E281 PolarHBondContact OD1-N 3.23Å; D278-F282 VanDerWaalsContact O-CD2 3.29Å; D278-F282 WeakPolarHBondContact O-CD2 3.22Å; D278-F282 PolarHBondContact O-N 3.32Å
279S85.6Confident88.5Confident49 Ų4952 Ų5234%0.34329%0.287SS..Hα-helixtrans-59.7-33.2-179.156.70000113.3A283S279-A283 VanDerWaalsContact O-CB 3.22Å; S279-A283 WeakPolarHBondContact O-CB 3.29Å; S279-A283 PolarHBondContact O-N 2.96Å
280T88.6Confident86.9Confident94 Ų9453.5 Ų53.558%0.57730%0.3SS*.Hα-helixtrans-71-39.1178.5-55.50000110.2D278 A283 R284D278-T280 PolarHBondContact O-N 3.28Å; D278-T280 WeakPolarHBondContact OD1-CA 3.31Å; D278-T280 WeakPolarHBondContact OD1-CB 3.22Å; D278-T280 PolarHBondContact OD1-N 3.16Å; T280-A283 WeakPolarHBondContact O-CB 3.34Å; T280-R284 WeakPolarHBondContact O-CB 3.14Å; T280-R284 PolarHBondContact O-N 2.8Å
281E90.2Very high85.3Confident47 Ų4757.6 Ų57.622%0.2232%0.316CS..Hα-helixtrans-71.6-41.5177.2-168.2170.6-16100112.1K271 P277 D278 A283 R284 I285K271-E281 WeakPolarHBondContact CE-OE1 3.49Å; K271-E281 IonicContact NZ-OE1 3.7Å; K271-E281 PolarHBondContact NZ-OE1 3.08Å; K271-E281 IonicContact NZ-OE2 3.99Å; K271-E281 PolarHBondContact NZ-OE2 3.15Å; P277-E281 HydrophobicContact CB-CB 4.08Å; P277-E281 HydrophobicContact CB-CG 4.19Å; D278-E281 PolarHBondContact O-N 2.9Å; D278-E281 VanDerWaalsContact O-N 3.15Å; D278-E281 PolarHBondContact OD1-N 3.23Å; E281-A283 PolarHBondContact O-N 2.81Å; E281-R284 WeakPolarHBondContact O-CB 3.35Å; E281-R284 PolarHBondContact O-N 2.72Å; E281-R284 IonicContact OE1-NH2 2.85Å; E281-I285 HydrophobicContact CG-CD1 3.92Å; E281-I285 HydrophobicContact CG-CG1 4.35Å; E281-I285 WeakPolarHBondContact O-CB 3.46Å; E281-I285 WeakPolarHBondContact O-CG1 3.47Å; E281-I285 PolarHBondContact O-N 2.87Å
282F91Very high83.9Confident5 Ų560.3 Ų60.32%0.02233%0.334CS..Hα-helixtrans-59.5-45.5171.9-80.4-58.8000112.1I269 V276 P277 D278 R284 I285 F286 L293 L359 P360 L363I269-F282 HydrophobicContact CG2-CE1 4.15Å; V276-F282 HydrophobicContact CG1-CE2 4.24Å; V276-F282 HydrophobicContact CG1-CZ 4.35Å; P277-F282 HydrophobicContact CB-CD1 4.26Å; P277-F282 HydrophobicContact CB-CD2 4.03Å; P277-F282 HydrophobicContact CB-CE1 4.08Å; P277-F282 HydrophobicContact CB-CE2 3.86Å; P277-F282 HydrophobicContact CB-CG 4.24Å; P277-F282 HydrophobicContact CB-CZ 3.88Å; P277-F282 HydrophobicContact CG-CE1 3.96Å; P277-F282 HydrophobicContact CG-CE2 4.31Å; P277-F282 HydrophobicContact CG-CZ 3.84Å; P277-F282 WeakPolarHBondContact O-CD2 3.48Å; P277-F282 WeakPolarHBondContact O-CE2 3.41Å; D278-F282 VanDerWaalsContact O-CD2 3.29Å; D278-F282 WeakPolarHBondContact O-CD2 3.22Å; D278-F282 PolarHBondContact O-N 3.32Å; F282-R284 VanDerWaalsContact C-N 3.29Å; F282-R284 PolarHBondContact O-N 3.36Å; F282-I285 PolarHBondContact O-N 3.21Å; F282-F286 HydrophobicContact CD1-CE2 4.22Å; F282-F286 WeakPolarHBondContact O-CD2 3.48Å; F282-F286 PolarHBondContact O-N 3.36Å; F282-L293 HydrophobicContact CB-CD1 4.31Å; F282-L359 HydrophobicContact CE1-CD2 4.23Å; F282-P360 HydrophobicContact CB-CG 4.29Å; F282-P360 HydrophobicContact CD1-CG 4.21Å; F282-P360 HydrophobicContact CD2-CG 3.38Å; F282-P360 HydrophobicContact CE1-CG 4.37Å; F282-P360 VanDerWaalsContact CE2-CD 3.49Å; F282-P360 HydrophobicContact CE2-CG 3.55Å; F282-P360 HydrophobicContact CG-CG 3.73Å; F282-P360 VanDerWaalsContact CZ-CD 3.5Å; F282-P360 HydrophobicContact CZ-CG 4.06Å; F282-L363 HydrophobicContact CB-CD1 4.12Å; F282-L363 HydrophobicContact CD1-CD1 3.73Å; F282-L363 HydrophobicContact CE1-CD1 4.37Å; F282-L363 HydrophobicContact CG-CD1 4.06Å
283A87.9Confident82.3Confident10 Ų1058.5 Ų58.58%0.08333%0.327CS..Hα-helixtrans-52.7-47.6173.200000111.6S279 T280 E281 G287 K288 A290 L293S279-A283 VanDerWaalsContact O-CB 3.22Å; S279-A283 WeakPolarHBondContact O-CB 3.29Å; S279-A283 PolarHBondContact O-N 2.96Å; T280-A283 WeakPolarHBondContact O-CB 3.34Å; E281-A283 PolarHBondContact O-N 2.81Å; A283-G287 WeakPolarHBondContact O-CA 3.46Å; A283-G287 PolarHBondContact O-N 3.49Å; A283-K288 CarbonylContact C-O 3.58Å; A283-K288 VanDerWaalsContact CA-O 3.31Å; A283-K288 WeakPolarHBondContact CA-O 3.4Å; A283-K288 WeakPolarHBondContact CB-O 3.19Å; A283-K288 PolarHBondContact O-N 2.97Å; A283-A290 HydrophobicContact CB-CB 3.95Å; A283-L293 HydrophobicContact CB-CD1 3.83Å
284R90.5Very high80.5Confident183 Ų18363.9 Ų63.969%0.69135%0.348SS*.Hα-helixtrans-64-44.5177.1-172-173.969.898.2-1.2112.9T280 E281 F282 F286T280-R284 WeakPolarHBondContact O-CB 3.14Å; T280-R284 PolarHBondContact O-N 2.8Å; E281-R284 WeakPolarHBondContact O-CB 3.35Å; E281-R284 PolarHBondContact O-N 2.72Å; E281-R284 IonicContact OE1-NH2 2.85Å; F282-R284 VanDerWaalsContact C-N 3.29Å; F282-R284 PolarHBondContact O-N 3.36Å; R284-F286 VanDerWaalsContact C-N 3.33Å; R284-F286 PolarHBondContact O-N 3.16Å
285I89.4Confident78.2Confident23 Ų2365.7 Ų65.712%0.11837%0.369CS..Hα-helixtrans-63.3-40.4-177.7-71.9168.8000111.2R171 I269 K271 E281 F282R171-I285 VanDerWaalsContact CZ-O 3.25Å; R171-I285 PolarHBondContact NE-O 3.21Å; R171-I285 PolarHBondContact NH2-O 3.03Å; R171-I285 VanDerWaalsContact NH2-O 3.14Å; I269-I285 HydrophobicContact CB-CG2 4.47Å; I269-I285 WeakPolarHBondContact O-CG2 3.33Å; K271-I285 HydrophobicContact CD-CD1 4.48Å; E281-I285 HydrophobicContact CG-CD1 3.92Å; E281-I285 HydrophobicContact CG-CG1 4.35Å; E281-I285 WeakPolarHBondContact O-CB 3.46Å; E281-I285 WeakPolarHBondContact O-CG1 3.47Å; E281-I285 PolarHBondContact O-N 2.87Å; F282-I285 PolarHBondContact O-N 3.21Å
286F87.6Confident75.8Confident31 Ų3166.8 Ų66.814%0.13638%0.379CS..Hα-helixtrans-100.1-3.5-174.7-72.4-94.5000114.3R171 I269 F282 R284 K288 L363 M364R171-F286 VanDerWaalsContact NH1-CD1 3.33Å; R171-F286 VanDerWaalsContact NH1-CE1 3.33Å; I269-F286 HydrophobicContact CG2-CE2 4.15Å; I269-F286 HydrophobicContact CG2-CZ 4.26Å; F282-F286 HydrophobicContact CD1-CE2 4.22Å; F282-F286 WeakPolarHBondContact O-CD2 3.48Å; F282-F286 PolarHBondContact O-N 3.36Å; R284-F286 VanDerWaalsContact C-N 3.33Å; R284-F286 PolarHBondContact O-N 3.16Å; F286-K288 VanDerWaalsContact C-N 3.34Å; F286-K288 HydrophobicContact CB-CG 4.46Å; F286-L363 HydrophobicContact CB-CD2 3.58Å; F286-L363 HydrophobicContact CD1-CB 4.38Å; F286-L363 HydrophobicContact CD1-CD2 3.91Å; F286-L363 HydrophobicContact CD2-CD1 3.81Å; F286-L363 HydrophobicContact CD2-CD2 3.64Å; F286-L363 HydrophobicContact CD2-CG 4.24Å; F286-L363 HydrophobicContact CE1-CB 4.22Å; F286-L363 HydrophobicContact CE1-CD2 4.5Å; F286-L363 HydrophobicContact CE2-CB 4.5Å; F286-L363 HydrophobicContact CE2-CD1 3.75Å; F286-L363 HydrophobicContact CE2-CD2 4.28Å; F286-L363 HydrophobicContact CE2-CG 4.42Å; F286-L363 HydrophobicContact CG-CD1 4.42Å; F286-L363 HydrophobicContact CG-CD2 3.44Å; F286-L363 VanDerWaalsContact CG-CD2 3.44Å; F286-L363 HydrophobicContact CG-CG 4.37Å; F286-L363 HydrophobicContact CZ-CB 4.3Å; F286-L363 HydrophobicContact CZ-CD1 4.31Å; F286-M364 HydrophobicContact CE1-CE 3.71Å; F286-M364 HydrophobicContact CE1-SD 4.23Å; F286-M364 HydrophobicContact CZ-CE 4.01Å
287G84Confident73.5Confident72 Ų7272.6 Ų72.674%0.74240%0.403SS*.THydrogen-bonded Turntrans6633.9-177.600000113.4A283A283-G287 WeakPolarHBondContact O-CA 3.46Å; A283-G287 PolarHBondContact O-N 3.49Å
288K74.5Confident71.2Confident95 Ų9579.5 Ų79.541%0.41343%0.434SS..  trans-110.7159.8177.3-66.4-164.7177.5-170.10110.9A283 F286 L293 G362 L363A283-K288 CarbonylContact C-O 3.58Å; A283-K288 VanDerWaalsContact CA-O 3.31Å; A283-K288 WeakPolarHBondContact CA-O 3.4Å; A283-K288 WeakPolarHBondContact CB-O 3.19Å; A283-K288 PolarHBondContact O-N 2.97Å; F286-K288 VanDerWaalsContact C-N 3.34Å; F286-K288 HydrophobicContact CB-CG 4.46Å; K288-L293 HydrophobicContact CB-CD1 4.46Å; K288-G362 PolarHBondContact NZ-O 2.9Å; K288-L363 HydrophobicContact CD-CD2 4.16Å
289N62.9Low68.7Low115 Ų11582.2 Ų82.262%0.61544%0.441SS*.  trans-74.6141.2170.9-72.4-37000110.6D291 D292N289-D291 VanDerWaalsContact C-N 3.3Å; N289-D291 PolarHBondContact O-N 2.66Å; N289-D292 WeakPolarHBondContact O-CB 3.4Å; N289-D292 PolarHBondContact O-N 2.65Å; N289-D292 VanDerWaalsContact O-N 3.16Å
290A62.3Low66.2Low36 Ų3689.2 Ų89.230%0.29846%0.46SS..Hα-helixtrans-63.1-33.7-178.700000113.2A283 D292 L293A283-A290 HydrophobicContact CB-CB 3.95Å; A290-D292 VanDerWaalsContact C-N 3.25Å; A290-D292 PolarHBondContact O-N 3.35Å; A290-L293 PolarHBondContact O-N 3.33Å
291D61.6Low63.5Low115 Ų11589.3 Ų89.362%0.61547%0.465SS*.Hα-helixtrans-68.6-22.6177.7-71.2-49.2000112.9N289 K299N289-D291 VanDerWaalsContact C-N 3.3Å; N289-D291 PolarHBondContact O-N 2.66Å; D291-K299 IonicContact OD1-NZ 3.84Å; D291-K299 PolarHBondContact OD1-NZ 3.21Å
292D64.1Low60.9Low120 Ų12093.5 Ų93.564%0.64249%0.494SS*.Hα-helixtrans-78.8-21.2178.1-63.9-25.6000112.5N289 A290N289-D292 WeakPolarHBondContact O-CB 3.4Å; N289-D292 PolarHBondContact O-N 2.65Å; N289-D292 VanDerWaalsContact O-N 3.16Å; A290-D292 VanDerWaalsContact C-N 3.25Å; A290-D292 PolarHBondContact O-N 3.35Å
293L59.3Low57.9Low11 Ų1197.8 Ų97.86%0.05852%0.524CS..Hα-helixtrans-81.1-33.1-174.6-84.1153.2000113.4F282 A283 K288 A290 P360 L363F282-L293 HydrophobicContact CB-CD1 4.31Å; A283-L293 HydrophobicContact CB-CD1 3.83Å; K288-L293 HydrophobicContact CB-CD1 4.46Å; A290-L293 PolarHBondContact O-N 3.33Å; L293-P360 HydrophobicContact CD2-CB 3.69Å; L293-P360 HydrophobicContact CD2-CG 4.38Å; L293-L363 HydrophobicContact CD2-CD1 3.87Å; L293-L363 HydrophobicContact CD2-CD2 3.43Å; L293-L363 VanDerWaalsContact CD2-CD2 3.43Å; L293-L363 HydrophobicContact CD2-CG 3.45Å; L293-L363 VanDerWaalsContact CD2-CG 3.45Å
294Y54.4Low55.1Low113 Ų113102.3 Ų102.344%0.44356%0.555SS.*SBendtrans-135.979.9177.2-71.1-85000107.7S296 P360Y294-S296 PolarHBondContact O-N 2.75Å; Y294-P360 HydrophobicContact CE2-CB 3.88Å; Y294-P360 HydrophobicContact CE2-CG 3.91Å
295G45.3Very low52.1Low49 Ų49105.6 Ų105.651%0.50557%0.567SS.*  trans-58.1111.5-178.600000111.3E297G295-E297 PolarHBondContact O-N 3.34Å
296S39.8Very low49.2Very low83 Ų83111.7 Ų111.758%0.5860%0.6SS**SBendtrans38.7-0.8162.4690000122.3Y294Y294-S296 PolarHBondContact O-N 2.75Å
297E43.6Very low46.6Very low167 Ų167117.8 Ų117.878%0.7863%0.634SS**SBendtrans-79.9-32.2-175-73.3-171.415500112.2G295 K299 R300G295-E297 PolarHBondContact O-N 3.34Å; E297-K299 VanDerWaalsContact C-N 3.33Å; E297-K299 PolarHBondContact O-N 3.26Å; E297-R300 PolarHBondContact O-N 3.3Å
298E42.9Very low43.9Very low154 Ų154118.2 Ų118.272%0.7264%0.639SS**G310 helixtrans-73.6-21.7173.6-87-174.5156.100113.7R300 S301E298-R300 VanDerWaalsContact C-N 3.29Å; E298-R300 PolarHBondContact O-N 3.45Å; E298-S301 PolarHBondContact O-OG 3.45Å
299K37.2Very low42Very low154 Ų154118.7 Ų118.767%0.6766%0.66SS**G310 helixtrans-78.2-11.4175.5-74.8177.4-179.5162.90112.9D291 E297D291-K299 IonicContact OD1-NZ 3.84Å; D291-K299 PolarHBondContact OD1-NZ 3.21Å; E297-K299 VanDerWaalsContact C-N 3.33Å; E297-K299 PolarHBondContact O-N 3.26Å
300R32Very low40.5Very low196 Ų196118.5 Ų118.574%0.7467%0.668SS**G310 helixtrans-92.3-10.8179.6-82.3-177.1175.6172.90.5115E297 E298E297-R300 PolarHBondContact O-N 3.3Å; E298-R300 VanDerWaalsContact C-N 3.29Å; E298-R300 PolarHBondContact O-N 3.45Å
301S33.5Very low38.9Very low97 Ų97122 Ų12268%0.67869%0.691SS**SBendtrans-87.7-2.7-179.758.80000114.5E298E298-S301 PolarHBondContact O-OG 3.45Å
302V35.2Very low37.6Very low135 Ų135127 Ų12782%0.81871%0.706SS**SBendtrans-112.4-3.5-178.3-171.30000113.5
303S28.8Very low35.8Very low95 Ų95126.9 Ų126.966%0.66472%0.715SS**SBendtrans-131.156.6-179.671.30000113.1
304S28.3Very low34.6Very low104 Ų104131.4 Ų131.473%0.72775%0.754SS**  trans-164.463.9169173.60000111.4
305R27.2Very low33.4Very low252 Ų252129.3 Ų129.395%0.95177%0.767SS**  trans-145.375.6157.4-76.5-166.2172.9163.3-2.2109.4
306N29.4Very low32.7Very low152 Ų152135.4 Ų135.481%0.81379%0.787SS**  trans-133.1102.9156.2-146.832.3000105.2
307D32Very low32.4Very low159 Ų159137 Ų13785%0.8580%0.798SS**  trans165.9119.1142.9-79.5-20.8000111.1
308G28.6Very low31.6Very low81 Ų81133.9 Ų133.984%0.83580%0.801SS**  trans78.997144.200000119.2
309A33.4Very low31.2Very low104 Ų104136 Ų13686%0.8681%0.811SS**  trans-165.9126.8130.900000112.5
310S32Very low30.7Very low112 Ų112133.4 Ų133.478%0.78381%0.812SS**  trans-71.8142.9-178.8-28.30000113.3
311S28.1Very low30.5Very low110 Ų110135.3 Ų135.377%0.76982%0.82SS**  trans42.5113.2138.3-42.50000119.7
312K35Very low30.5Very low218 Ų218135.3 Ų135.395%0.94882%0.817SS**  -171.9133119.3-99.8167.3-169.2-174.80112.1
313S26.8Very low30.4Very low119 Ų119136.3 Ų136.383%0.83282%0.818SS**  trans-96.6140.2-176.651.30000112.8
314A34.4Very low30.3Very low105 Ų105143.2 Ų143.287%0.86883%0.83SS**  trans176.6115.4144.700000104.8
315G27.5Very low30.4Very low70 Ų70146.3 Ų146.372%0.72284%0.837SS**  cis107.9107.149.400000106.8
316L31.8Very low30.7Very low177 Ų177139.9 Ų139.993%0.92783%0.828SS**  trans174.4132.3139.7-89.9160.7000112.9
317S32.9Very low30.7Very low116 Ų116138.1 Ų138.181%0.81183%0.828SS**  trans57.696.7161.868.20000120.2
318A27.4Very low30.6Very low102 Ų102135.1 Ų135.184%0.84383%0.825SS**PPolyproline II helixtrans-87.4126.3154.800000110.4
319Q33.5Very low30.5Very low199 Ų199134.5 Ų134.593%0.9382%0.818SS**PPolyproline II helixtrans-100.5124.2151.8-82.2-178.6-18.300107.7
320S27.6Very low30.3Very low99 Ų99138.6 Ų138.669%0.69282%0.82SS**PPolyproline II helixtrans-82.9159.2-178.6400000111.4
321W26.4Very low30Very low236 Ų236139.2 Ų139.289%0.89482%0.824SS**  trans154.8146.3131.9-87.557.7000110.3
322P35Very low30.2Very low97 Ų97139.9 Ų139.963%0.6383%0.826SS**  -133.6174.5-95.831.9-11.2000116.1
323N33.1Very low29.9Very low156 Ų156133.7 Ų133.783%0.83482%0.815SS**  trans66.8114.5151.1-70.8-13.2000121.2
324R26.3Very low29.9Very low239 Ų239133.8 Ų133.890%0.90281%0.813SS**  trans-64.9147.7147.8-71.7-179.3-165.6-125.9-0.3110.5
325L30.5Very low29.7Very low170 Ų170133.6 Ų133.689%0.8981%0.811SS**  -148.9142.6123.6-99.4154000108.3
326P33Very low29.7Very low117 Ų117137.6 Ų137.676%0.7682%0.816SS**  trans-91.6140.9-169.335.5-28.9000111.1
327S30.4Very low29.7Very low115 Ų115134.6 Ų134.680%0.80481%0.81SS**  trans-144.5121.7165.8-171.10000111.2
328A28.1Very low29.7Very low95 Ų95131 Ų13179%0.78579%0.792SS**  trans50.1119.2140.400000120.2
329G27.8Very low30.6Very low68 Ų68132.2 Ų132.270%0.70179%0.79SS**  trans82.877.9130.900000115.9
330Q28Very low31.7Very low191 Ų191131.9 Ų131.989%0.89379%0.786SS**  trans-161.1103146.9-108.7160.571.300108.5P332Q330-P332 VanDerWaalsContact O-CD 3.31Å; Q330-P332 WeakPolarHBondContact O-CD 3.42Å
331S27.4Very low33.6Very low124 Ų124133.8 Ų133.887%0.86779%0.794SS**  trans-63.2118.8157.2-55.70000107.3
332P32Very low36.1Very low125 Ų125125.2 Ų125.281%0.81276%0.764SS**  trans-85128168.612.65.3000108.9Q330Q330-P332 VanDerWaalsContact O-CD 3.31Å; Q330-P332 WeakPolarHBondContact O-CD 3.42Å
333A27.2Very low38.6Very low88 Ų88123.1 Ų123.173%0.72776%0.755SS**  trans-38.1159.1177.300000116.8
334P26.9Very low41Very low121 Ų121118 Ų11879%0.78673%0.727SS**  trans-59.2145.3-177.526.7-35.7000111.3N336P334-N336 VanDerWaalsContact C-N 3.29Å; P334-N336 PolarHBondContact O-N 3.44Å
335A30.8Very low43.8Very low100 Ų100112.1 Ų112.183%0.82671%0.708SS**  trans-56.489.9173.200000110.3S337A335-S337 PolarHBondContact O-N 3.2Å
336N27.7Very low46.6Very low155 Ų155109.2 Ų109.283%0.82969%0.69SS**  trans-81.776.6171.5-158.720.2000107.6P334 G338P334-N336 VanDerWaalsContact C-N 3.29Å; P334-N336 PolarHBondContact O-N 3.44Å; N336-G338 PolarHBondContact O-N 3.36Å
337S32.3Very low49.3Very low114 Ų114104.4 Ų104.480%0.79766%0.658SS**  trans-80.765.1173.258.70000110A335A335-S337 PolarHBondContact O-N 3.2Å
338G33.5Very low52.1Low41 Ų4199.7 Ų99.742%0.42362%0.624SS.*  trans-71.6150.5153.500000108.7N336 K340N336-G338 PolarHBondContact O-N 3.36Å; G338-K340 PolarHBondContact O-N 3.01Å
339P45.9Very low55.1Low126 Ų12696.8 Ų96.882%0.81860%0.595SS**  trans-60.2111.3178.724.6-30.8000108.4T341P339-T341 PolarHBondContact O-N 3.22Å
340K55.3Low58.2Low192 Ų19296.1 Ų96.184%0.83557%0.572SS**  trans-62.6106.9175-87.6-179.9174.8178.10107.9G338 M342G338-K340 PolarHBondContact O-N 3.01Å; K340-M342 PolarHBondContact O-N 2.98Å; K340-M342 VanDerWaalsContact O-N 3.12Å
341T68.5Low61.2Low140 Ų14087.2 Ų87.286%0.85953%0.53SS*.  trans-62.8109.6165.238.50000108.4P339P339-T341 PolarHBondContact O-N 3.22Å
342M78Confident64.3Low56 Ų5682.5 Ų82.528%0.27650%0.496SS..  trans-62.5139.9174.7-102.5-168.6-78.300110.6I274 P275 K340 E346 Y350I274-M342 HydrophobicContact CG2-CE 4.05Å; P275-M342 HydrophobicContact CB-CE 3.39Å; P275-M342 HydrophobicContact CG-CE 3.54Å; K340-M342 PolarHBondContact O-N 2.98Å; K340-M342 VanDerWaalsContact O-N 3.12Å; M342-E346 HydrophobicContact CB-CB 4.31Å; M342-E346 HydrophobicContact CG-CB 3.91Å; M342-E346 HydrophobicContact SD-CB 3.92Å; M342-Y350 HydrophobicContact CE-CD2 3.84Å; M342-Y350 HydrophobicContact CE-CE2 4.38Å; M342-Y350 HydrophobicContact CE-CG 4.27Å; M342-Y350 HydrophobicContact SD-CD2 4.15Å
343A87.2Confident67.2Low53 Ų5381.1 Ų81.144%0.43848%0.482SS..  trans-67.8155.5167.300000110.1F345 E346 L347A343-F345 VanDerWaalsContact C-N 3.29Å; A343-F345 PolarHBondContact O-N 3.43Å; A343-E346 HydrophobicContact CB-CG 4.2Å; A343-E346 PolarHBondContact N-OE2 2.88Å; A343-E346 WeakPolarHBondContact O-CB 3.47Å; A343-E346 PolarHBondContact O-N 3.08Å; A343-L347 PolarHBondContact O-N 3.39Å
344I84.5Confident70.4Confident48 Ų4881.3 Ų81.325%0.24647%0.468CS..Hα-helixtrans-55.8-42.2-176.5-175.968.1000112.9V235 E346 L347 L348V235-I344 HydrophobicContact CG1-CB 3.99Å; V235-I344 HydrophobicContact CG1-CD1 3.99Å; V235-I344 HydrophobicContact CG1-CG1 3.49Å; V235-I344 VanDerWaalsContact CG1-CG1 3.49Å; V235-I344 HydrophobicContact CG1-CG2 4.02Å; I344-E346 VanDerWaalsContact C-N 3.29Å; I344-E346 PolarHBondContact O-N 2.98Å; I344-L347 HydrophobicContact CD1-CD2 4.27Å; I344-L347 WeakPolarHBondContact O-CB 3.48Å; I344-L347 PolarHBondContact O-N 3.45Å; I344-L348 HydrophobicContact CD1-CD2 4.35Å; I344-L348 HydrophobicContact CD1-CG 4.26Å; I344-L348 HydrophobicContact CG1-CD1 4.21Å; I344-L348 HydrophobicContact CG1-CG 4.21Å; I344-L348 VanDerWaalsContact O-CG 3.3Å; I344-L348 WeakPolarHBondContact O-CG 3.14Å; I344-L348 PolarHBondContact O-N 3Å
345F85.3Confident73.5Confident115 Ų11579.7 Ų79.750%0.50446%0.457SS..Hα-helixtrans-67.3-32.8-179.5-68.9-71000112.3L15 A343 D349L15-F345 HydrophobicContact CD1-CE1 4.25Å; A343-F345 VanDerWaalsContact C-N 3.29Å; A343-F345 PolarHBondContact O-N 3.43Å; F345-D349 VanDerWaalsContact O-CB 3.27Å; F345-D349 WeakPolarHBondContact O-CB 3.46Å; F345-D349 PolarHBondContact O-N 3.01Å
346E90.1Very high76.6Confident109 Ų10976.7 Ų76.751%0.50943%0.43SS..Hα-helixtrans-68.4-41.4173.7-59.1174.5148.200110.3M342 A343 I344 D349 Y350M342-E346 HydrophobicContact CB-CB 4.31Å; M342-E346 HydrophobicContact CG-CB 3.91Å; M342-E346 HydrophobicContact SD-CB 3.92Å; A343-E346 HydrophobicContact CB-CG 4.2Å; A343-E346 PolarHBondContact N-OE2 2.88Å; A343-E346 WeakPolarHBondContact O-CB 3.47Å; A343-E346 PolarHBondContact O-N 3.08Å; I344-E346 VanDerWaalsContact C-N 3.29Å; I344-E346 PolarHBondContact O-N 2.98Å; E346-D349 PolarHBondContact O-N 3.31Å; E346-Y350 WeakPolarHBondContact O-CB 3.47Å; E346-Y350 PolarHBondContact O-N 2.79Å
347L89.7Confident79.7Confident16 Ų1669.6 Ų69.68%0.08439%0.392CS..Hα-helixtrans-61.2-45.5174.9174.161.1000111.9S239 Y272 I274 A343 I344 Y350 I351S239-L347 WeakPolarHBondContact OG-CD2 3.33Å; Y272-L347 HydrophobicContact CE1-CD1 3.82Å; Y272-L347 HydrophobicContact CE1-CD2 4.13Å; I274-L347 HydrophobicContact CB-CD1 3.67Å; I274-L347 HydrophobicContact CG2-CD1 3.32Å; A343-L347 PolarHBondContact O-N 3.39Å; I344-L347 HydrophobicContact CD1-CD2 4.27Å; I344-L347 WeakPolarHBondContact O-CB 3.48Å; I344-L347 PolarHBondContact O-N 3.45Å; L347-Y350 WeakPolarHBondContact O-CB 3.21Å; L347-Y350 PolarHBondContact O-N 3.13Å; L347-I351 HydrophobicContact CD1-CD1 4.25Å; L347-I351 HydrophobicContact CG-CD1 4.24Å; L347-I351 WeakPolarHBondContact O-CG1 3.48Å; L347-I351 PolarHBondContact O-N 2.96Å
348L89Confident82.5Confident16 Ų1667 Ų678%0.08437%0.371CS..Hα-helixtrans-66.8-39.7177.7-61.7-177000111.5L15 R238 L246 I344 Y350 I351 V352L15-L348 HydrophobicContact CD2-CD1 4.09Å; R238-L348 HydrophobicContact CB-CD2 3.98Å; L246-L348 HydrophobicContact CD1-CB 4.37Å; L246-L348 HydrophobicContact CD1-CD2 3.9Å; L246-L348 HydrophobicContact CD2-CD1 4.5Å; L246-L348 HydrophobicContact CD2-CD2 3.82Å; I344-L348 HydrophobicContact CD1-CD2 4.35Å; I344-L348 HydrophobicContact CD1-CG 4.26Å; I344-L348 HydrophobicContact CG1-CD1 4.21Å; I344-L348 HydrophobicContact CG1-CG 4.21Å; I344-L348 VanDerWaalsContact O-CG 3.3Å; I344-L348 WeakPolarHBondContact O-CG 3.14Å; I344-L348 PolarHBondContact O-N 3Å; L348-Y350 VanDerWaalsContact C-N 3.31Å; L348-I351 HydrophobicContact CD2-CD1 4.42Å; L348-I351 PolarHBondContact O-N 3.36Å; L348-V352 WeakPolarHBondContact O-CG2 3.01Å; L348-V352 PolarHBondContact O-N 3.2Å; L348-V352 VanDerWaalsContact O-N 3.13Å
349D90.2Very high85.2Confident34 Ų3465.2 Ų65.218%0.18235%0.352CS..Hα-helixtrans-61.6-41.4173.7-163.348.3000110.7K11 F345 E346 V352 N353K11-D349 IonicContact NZ-OD1 3.77Å; K11-D349 IonicContact NZ-OD2 2.77Å; K11-D349 PolarHBondContact NZ-OD2 2.98Å; F345-D349 VanDerWaalsContact O-CB 3.27Å; F345-D349 WeakPolarHBondContact O-CB 3.46Å; F345-D349 PolarHBondContact O-N 3.01Å; E346-D349 PolarHBondContact O-N 3.31Å; D349-V352 PolarHBondContact O-N 3.48Å; D349-N353 WeakPolarHBondContact O-CB 3.02Å; D349-N353 PolarHBondContact O-N 3.48Å; D349-N353 PolarHBondContact O-ND2 2.98Å; D349-N353 PolarHBondContact OD1-ND2 3.37Å
350Y92.4Very high87.2Confident54 Ų5459.3 Ų59.321%0.21231%0.313CS..Hα-helixtrans-60-50.3176.4-165.1-70.5000111.1I274 P275 V276 M342 E346 L347 L348 V352 N353 E354I274-Y350 HydrophobicContact CG2-CD1 3.36Å; I274-Y350 HydrophobicContact CG2-CD2 4.43Å; I274-Y350 HydrophobicContact CG2-CE1 3.84Å; I274-Y350 HydrophobicContact CG2-CG 3.73Å; P275-Y350 HydrophobicContact CB-CE2 4.2Å; V276-Y350 HydrophobicContact CG2-CE1 4.45Å; M342-Y350 HydrophobicContact CE-CD2 3.84Å; M342-Y350 HydrophobicContact CE-CE2 4.38Å; M342-Y350 HydrophobicContact CE-CG 4.27Å; M342-Y350 HydrophobicContact SD-CD2 4.15Å; E346-Y350 WeakPolarHBondContact O-CB 3.47Å; E346-Y350 PolarHBondContact O-N 2.79Å; L347-Y350 WeakPolarHBondContact O-CB 3.21Å; L347-Y350 PolarHBondContact O-N 3.13Å; L348-Y350 VanDerWaalsContact C-N 3.31Å; Y350-V352 PolarHBondContact O-N 3.19Å; Y350-N353 PolarHBondContact O-N 3.48Å; Y350-E354 HydrophobicContact CD1-CB 3.65Å; Y350-E354 HydrophobicContact CD1-CG 4.05Å; Y350-E354 HydrophobicContact CD2-CB 4.19Å; Y350-E354 HydrophobicContact CD2-CG 3.69Å; Y350-E354 HydrophobicContact CE1-CB 3.58Å; Y350-E354 HydrophobicContact CE1-CG 4.17Å; Y350-E354 HydrophobicContact CE2-CB 4.15Å; Y350-E354 HydrophobicContact CE2-CG 3.85Å; Y350-E354 HydrophobicContact CG-CB 3.95Å; Y350-E354 HydrophobicContact CG-CG 3.79Å; Y350-E354 WeakPolarHBondContact O-CA 3.4Å; Y350-E354 VanDerWaalsContact O-CB 3.28Å; Y350-E354 WeakPolarHBondContact O-CB 3.35Å; Y350-E354 PolarHBondContact O-N 3.43Å
351I92.3Very high88.7Confident5 Ų558 Ų583%0.02631%0.308CS..Hα-helixtrans-57.2-41.2178.6-68.8162.7000111.1S239 P243 L246 W258 I274 L347 L348S239-I351 WeakPolarHBondContact O-CD1 3.44Å; P243-I351 HydrophobicContact CB-CG2 4.5Å; P243-I351 HydrophobicContact CG-CG2 3.96Å; L246-I351 HydrophobicContact CD1-CB 3.96Å; L246-I351 HydrophobicContact CD1-CD1 4.31Å; L246-I351 HydrophobicContact CD1-CG2 3.66Å; W258-I351 HydrophobicContact CZ2-CG2 4Å; I274-I351 HydrophobicContact CD1-CD1 4.27Å; I274-I351 HydrophobicContact CD1-CG1 3.55Å; L347-I351 HydrophobicContact CD1-CD1 4.25Å; L347-I351 HydrophobicContact CG-CD1 4.24Å; L347-I351 WeakPolarHBondContact O-CG1 3.48Å; L347-I351 PolarHBondContact O-N 2.96Å; L348-I351 HydrophobicContact CD2-CD1 4.42Å; L348-I351 PolarHBondContact O-N 3.36Å
352V91.8Very high89.6Confident25 Ų2553.4 Ų53.415%0.15229%0.288CS..Hα-helixtrans-77.3-37.7-176.6175.10000112.5L246 T247 L348 D349 Y350 K378L246-V352 HydrophobicContact CB-CG2 3.65Å; L246-V352 HydrophobicContact CD1-CG2 3.91Å; L246-V352 HydrophobicContact CG-CG2 4.44Å; T247-V352 HydrophobicContact CG2-CG1 3.63Å; T247-V352 HydrophobicContact CG2-CG2 4.17Å; L348-V352 WeakPolarHBondContact O-CG2 3.01Å; L348-V352 PolarHBondContact O-N 3.2Å; L348-V352 VanDerWaalsContact O-N 3.13Å; D349-V352 PolarHBondContact O-N 3.48Å; Y350-V352 PolarHBondContact O-N 3.19Å; V352-K378 VanDerWaalsContact C-NZ 3.25Å; V352-K378 VanDerWaalsContact O-CE 3.29Å; V352-K378 WeakPolarHBondContact O-CE 3.35Å; V352-K378 PolarHBondContact O-NZ 3.33Å
353N92.7Very high90.1Very high95 Ų9551.5 Ų51.551%0.50828%0.279SS..Hα-helixtrans-111.2-29.9-166.8-66.8-51.9000114.3D349 Y350D349-N353 WeakPolarHBondContact O-CB 3.02Å; D349-N353 PolarHBondContact O-N 3.48Å; D349-N353 PolarHBondContact O-ND2 2.98Å; D349-N353 PolarHBondContact OD1-ND2 3.37Å; Y350-N353 PolarHBondContact O-N 3.48Å
354E93.6Very high90.4Very high93 Ų9350 Ų5044%0.43526%0.264SS..SBendtrans-86.8161.7-179.5-61.7-60.115000112.2Y350 K378Y350-E354 HydrophobicContact CD1-CB 3.65Å; Y350-E354 HydrophobicContact CD1-CG 4.05Å; Y350-E354 HydrophobicContact CD2-CB 4.19Å; Y350-E354 HydrophobicContact CD2-CG 3.69Å; Y350-E354 HydrophobicContact CE1-CB 3.58Å; Y350-E354 HydrophobicContact CE1-CG 4.17Å; Y350-E354 HydrophobicContact CE2-CB 4.15Å; Y350-E354 HydrophobicContact CE2-CG 3.85Å; Y350-E354 HydrophobicContact CG-CB 3.95Å; Y350-E354 HydrophobicContact CG-CG 3.79Å; Y350-E354 WeakPolarHBondContact O-CA 3.4Å; Y350-E354 VanDerWaalsContact O-CB 3.28Å; Y350-E354 WeakPolarHBondContact O-CB 3.35Å; Y350-E354 PolarHBondContact O-N 3.43Å; E354-K378 PolarHBondContact O-NZ 3.37Å
355P93.4Very high91Very high87 Ų8749 Ų4957%0.56526%0.261SS*.PPolyproline II helixtrans-56.4146.8171.2-23.934.6000111.8
356P94.5Very high91.5Very high37 Ų3748.8 Ų48.824%0.2427%0.265CS..PPolyproline II helixtrans-63.2155.6175.129.3-34.2000110.8W258 V358 L376 K378W258-P356 HydrophobicContact CH2-CB 3.96Å; W258-P356 HydrophobicContact CZ3-CB 4.27Å; P356-V358 PolarHBondContact O-N 2.9Å; P356-L376 HydrophobicContact CB-CB 4Å; P356-L376 VanDerWaalsContact CB-O 3.27Å; P356-L376 WeakPolarHBondContact CB-O 3.4Å; P356-L376 WeakPolarHBondContact CG-O 3.46Å; P356-K378 HydrophobicContact CG-CG 4.45Å
357P93.6Very high91.9Very high5 Ų547.1 Ų47.13%0.03226%0.257CS..PPolyproline II helixtrans-58.4133.8173.5-23.734.6000112.1L262 I265 P273 I274 V276 L376L262-P357 HydrophobicContact CD2-CG 3.85Å; I265-P357 HydrophobicContact CD1-CB 3.96Å; P273-P357 HydrophobicContact CB-CB 4.18Å; P273-P357 HydrophobicContact CB-CG 4.32Å; P273-P357 HydrophobicContact CG-CG 4.41Å; I274-P357 HydrophobicContact CD1-CG 4.07Å; I274-P357 HydrophobicContact CG1-CG 3.63Å; V276-P357 HydrophobicContact CG2-CB 3.96Å; V276-P357 HydrophobicContact CG2-CG 4.12Å; P357-L376 WeakPolarHBondContact O-CD1 3.49Å
358V91Very high92.3Very high61 Ų6146.4 Ų46.437%0.3725%0.253SS..  trans-125.1139.3176.3-178.30000108.5P356 E373P356-V358 PolarHBondContact O-N 2.9Å; V358-E373 HydrophobicContact CG1-CG 4.43Å; V358-E373 WeakPolarHBondContact CG1-OE1 3.42Å
359L90.4Very high92.7Very high2 Ų246 Ų461%0.0125%0.251CS..PPolyproline II helixtrans-82.4128.9172.4-72.5170.9000109.6I265 I269 F282 M364 F368 T369 V372I265-L359 HydrophobicContact CG1-CD1 4.45Å; I265-L359 HydrophobicContact CG1-CG 4.42Å; I265-L359 HydrophobicContact CG2-CD2 4.07Å; I265-L359 HydrophobicContact CG2-CG 4.43Å; I269-L359 HydrophobicContact CG2-CD2 3.67Å; F282-L359 HydrophobicContact CE1-CD2 4.23Å; L359-M364 HydrophobicContact CD1-CG 4.27Å; L359-F368 HydrophobicContact CD1-CD1 3.9Å; L359-F368 HydrophobicContact CD1-CE1 3.45Å; L359-F368 VanDerWaalsContact CD1-CE1 3.45Å; L359-F368 HydrophobicContact CD1-CZ 4.5Å; L359-T369 HydrophobicContact CB-CG2 4.42Å; L359-V372 HydrophobicContact CD1-CG2 4.26Å
360P88.7Confident93Very high2 Ų247 Ų471%0.01326%0.257CS..PPolyproline II helixtrans-53.6141.4171.8-24.727000112.4F282 L293 Y294 L363F282-P360 HydrophobicContact CB-CG 4.29Å; F282-P360 HydrophobicContact CD1-CG 4.21Å; F282-P360 HydrophobicContact CD2-CG 3.38Å; F282-P360 HydrophobicContact CE1-CG 4.37Å; F282-P360 VanDerWaalsContact CE2-CD 3.49Å; F282-P360 HydrophobicContact CE2-CG 3.55Å; F282-P360 HydrophobicContact CG-CG 3.73Å; F282-P360 VanDerWaalsContact CZ-CD 3.5Å; F282-P360 HydrophobicContact CZ-CG 4.06Å; L293-P360 HydrophobicContact CD2-CB 3.69Å; L293-P360 HydrophobicContact CD2-CG 4.38Å; Y294-P360 HydrophobicContact CE2-CB 3.88Å; Y294-P360 HydrophobicContact CE2-CG 3.91Å; P360-L363 HydrophobicContact CB-CD1 3.78Å; P360-L363 HydrophobicContact CB-CG 4.17Å; P360-L363 HydrophobicContact CG-CD1 3.67Å; P360-L363 WeakPolarHBondContact O-CB 3.5Å; P360-L363 PolarHBondContact O-N 3.05Å
361K86.8Confident93.3Very high165 Ų16544.5 Ų44.572%0.71725%0.247SC*.THydrogen-bonded Turntrans-57.7144.8177.3-70.5-171.9177.3-176.60111L363K361-L363 VanDerWaalsContact C-N 3.25Å; K361-L363 PolarHBondContact O-N 3.19Å
362G86.1Confident93.5Very high44 Ų4444.2 Ų44.245%0.45425%0.246SC..THydrogen-bonded Turntrans78-2.1178.800000115.1K288K288-G362 PolarHBondContact NZ-O 2.9Å
363L89.5Confident93.8Very high15 Ų1545.9 Ų45.98%0.07925%0.252CS..SBendtrans-77.2-42.6170.8-73-177.6000113F282 F286 K288 L293 P360 K361F282-L363 HydrophobicContact CB-CD1 4.12Å; F282-L363 HydrophobicContact CD1-CD1 3.73Å; F282-L363 HydrophobicContact CE1-CD1 4.37Å; F282-L363 HydrophobicContact CG-CD1 4.06Å; F286-L363 HydrophobicContact CB-CD2 3.58Å; F286-L363 HydrophobicContact CD1-CB 4.38Å; F286-L363 HydrophobicContact CD1-CD2 3.91Å; F286-L363 HydrophobicContact CD2-CD1 3.81Å; F286-L363 HydrophobicContact CD2-CD2 3.64Å; F286-L363 HydrophobicContact CD2-CG 4.24Å; F286-L363 HydrophobicContact CE1-CB 4.22Å; F286-L363 HydrophobicContact CE1-CD2 4.5Å; F286-L363 HydrophobicContact CE2-CB 4.5Å; F286-L363 HydrophobicContact CE2-CD1 3.75Å; F286-L363 HydrophobicContact CE2-CD2 4.28Å; F286-L363 HydrophobicContact CE2-CG 4.42Å; F286-L363 HydrophobicContact CG-CD1 4.42Å; F286-L363 HydrophobicContact CG-CD2 3.44Å; F286-L363 VanDerWaalsContact CG-CD2 3.44Å; F286-L363 HydrophobicContact CG-CG 4.37Å; F286-L363 HydrophobicContact CZ-CB 4.3Å; F286-L363 HydrophobicContact CZ-CD1 4.31Å; K288-L363 HydrophobicContact CD-CD2 4.16Å; L293-L363 HydrophobicContact CD2-CD1 3.87Å; L293-L363 HydrophobicContact CD2-CD2 3.43Å; L293-L363 VanDerWaalsContact CD2-CD2 3.43Å; L293-L363 HydrophobicContact CD2-CG 3.45Å; L293-L363 VanDerWaalsContact CD2-CG 3.45Å; P360-L363 HydrophobicContact CB-CD1 3.78Å; P360-L363 HydrophobicContact CB-CG 4.17Å; P360-L363 HydrophobicContact CG-CD1 3.67Å; P360-L363 WeakPolarHBondContact O-CB 3.5Å; P360-L363 PolarHBondContact O-N 3.05Å; K361-L363 VanDerWaalsContact C-N 3.25Å; K361-L363 PolarHBondContact O-N 3.19Å
364M93.4Very high94Very high23 Ų2344.1 Ų44.111%0.11324%0.24CC..SBendtrans-127.6175.5174.8-62.4-60.6-164.700108.2E174 A268 F286 L359 F368E174-M364 HydrophobicContact CB-SD 4.19Å; E174-M364 WeakPolarHBondContact OE2-CB 3.32Å; A268-M364 HydrophobicContact CB-CE 3.62Å; F286-M364 HydrophobicContact CE1-CE 3.71Å; F286-M364 HydrophobicContact CE1-SD 4.23Å; F286-M364 HydrophobicContact CZ-CE 4.01Å; L359-M364 HydrophobicContact CD1-CG 4.27Å; M364-F368 HydrophobicContact CB-CB 4.38Å; M364-F368 HydrophobicContact CB-CD1 3.54Å; M364-F368 HydrophobicContact CB-CE1 4.3Å; M364-F368 HydrophobicContact CB-CG 4.36Å; M364-F368 HydrophobicContact CG-CD1 3.7Å; M364-F368 HydrophobicContact CG-CE1 3.95Å
365S96.4Very high94.3Very high27 Ų2739.7 Ų39.719%0.18922%0.219CC..  trans-62.2153.5175.8104.40000111.8E174 E367 F368 T369 R397E174-S365 WeakPolarHBondContact OE1-CB 3.43Å; E174-S365 PolarHBondContact OE1-OG 2.9Å; E174-S365 PolarHBondContact OE2-N 3.49Å; S365-E367 VanDerWaalsContact CB-OE2 3.24Å; S365-E367 WeakPolarHBondContact CB-OE2 3.18Å; S365-E367 PolarHBondContact O-N 3.08Å; S365-E367 PolarHBondContact OG-N 2.82Å; S365-E367 PolarHBondContact OG-OE2 2.7Å; S365-F368 PolarHBondContact O-N 2.81Å; S365-F368 PolarHBondContact OG-N 2.86Å; S365-T369 PolarHBondContact O-N 3.43Å; S365-T369 PolarHBondContact O-OG1 2.54Å; S365-R397 PolarHBondContact OG-NH1 2.89Å
366D96.5Very high94.5Very high110 Ų11035.7 Ų35.759%0.58819%0.193SC*.Hα-helixtrans-61.1-36.4176.6-71-27000110.7T369 D370D366-T369 PolarHBondContact O-N 3.12Å; D366-D370 WeakPolarHBondContact O-CB 2.96Å; D366-D370 PolarHBondContact O-N 3Å
367E97.3Very high94.6Very high74 Ų7439 Ų3935%0.34620%0.2SC..Hα-helixtrans-65.7-38.5176.7-52.593.9142.600112.8S365 F371 H392 P393 R397S365-E367 VanDerWaalsContact CB-OE2 3.24Å; S365-E367 WeakPolarHBondContact CB-OE2 3.18Å; S365-E367 PolarHBondContact O-N 3.08Å; S365-E367 PolarHBondContact OG-N 2.82Å; S365-E367 PolarHBondContact OG-OE2 2.7Å; E367-F371 VanDerWaalsContact O-CB 3.25Å; E367-F371 WeakPolarHBondContact O-CB 3.32Å; E367-F371 PolarHBondContact O-N 3.3Å; E367-H392 PolarHBondContact O-CE1 2.6Å; E367-P393 HydrophobicContact CG-CB 4.3Å; E367-R397 IonicContact OE1-NH1 3.57Å; E367-R397 IonicContact OE2-NH1 2.65Å; E367-R397 PolarHBondContact OE2-NH1 3.2Å
368F97.9Very high94.6Very high0 Ų041.7 Ų41.70%021%0.212CC..Hα-helixtrans-68.1-44.4174.9178.1-109.7000111.3E174 L177 L264 A268 L359 M364 S365 D370 F371 V372 Y394E174-F368 HydrophobicContact CG-CB 4.03Å; E174-F368 HydrophobicContact CG-CD2 4.33Å; E174-F368 HydrophobicContact CG-CG 4.04Å; E174-F368 WeakPolarHBondContact OE1-CB 3.37Å; L177-F368 HydrophobicContact CB-CE2 4.27Å; L177-F368 HydrophobicContact CD1-CE1 4.34Å; L177-F368 HydrophobicContact CD1-CE2 4.05Å; L177-F368 HydrophobicContact CD1-CZ 3.64Å; L264-F368 HydrophobicContact CB-CE2 4.48Å; L264-F368 HydrophobicContact CB-CZ 4.32Å; L264-F368 HydrophobicContact CD1-CE2 4.45Å; A268-F368 HydrophobicContact CB-CE1 4.16Å; A268-F368 HydrophobicContact CB-CZ 4.27Å; L359-F368 HydrophobicContact CD1-CD1 3.9Å; L359-F368 HydrophobicContact CD1-CE1 3.45Å; L359-F368 VanDerWaalsContact CD1-CE1 3.45Å; L359-F368 HydrophobicContact CD1-CZ 4.5Å; M364-F368 HydrophobicContact CB-CB 4.38Å; M364-F368 HydrophobicContact CB-CD1 3.54Å; M364-F368 HydrophobicContact CB-CE1 4.3Å; M364-F368 HydrophobicContact CB-CG 4.36Å; M364-F368 HydrophobicContact CG-CD1 3.7Å; M364-F368 HydrophobicContact CG-CE1 3.95Å; S365-F368 PolarHBondContact O-N 2.81Å; S365-F368 PolarHBondContact OG-N 2.86Å; F368-D370 PolarHBondContact O-N 2.93Å; F368-F371 WeakPolarHBondContact O-CB 3.43Å; F368-F371 PolarHBondContact O-N 3.12Å; F368-V372 HydrophobicContact CD2-CG1 4.37Å; F368-V372 HydrophobicContact CE1-CG1 4.2Å; F368-V372 HydrophobicContact CE2-CG1 3.87Å; F368-V372 HydrophobicContact CZ-CG1 3.78Å; F368-V372 PolarHBondContact O-N 3.3Å; F368-Y394 HydrophobicContact CB-CD2 3.87Å; F368-Y394 HydrophobicContact CB-CE2 3.77Å; F368-Y394 HydrophobicContact CD2-CD1 4.45Å; F368-Y394 HydrophobicContact CD2-CD2 4.24Å; F368-Y394 AromaticContact CD2-CE1 3.86Å; F368-Y394 HydrophobicContact CD2-CE1 3.86Å; F368-Y394 AromaticContact CD2-CE2 3.61Å; F368-Y394 HydrophobicContact CD2-CE2 3.61Å; F368-Y394 AromaticContact CD2-CZ 3.38Å; F368-Y394 WeakPolarHBondContact CD2-OH 3.33Å; F368-Y394 HydrophobicContact CE2-CE1 4.4Å; F368-Y394 HydrophobicContact CG-CE2 4.12Å
369T97.2Very high94.7Very high8 Ų840.5 Ų40.55%0.04921%0.206CC..Hα-helixtrans-59.4-47.8178.3-54.90000110.6L359 S365 D366 F371 V372 E373L359-T369 HydrophobicContact CB-CG2 4.42Å; S365-T369 PolarHBondContact O-N 3.43Å; S365-T369 PolarHBondContact O-OG1 2.54Å; D366-T369 PolarHBondContact O-N 3.12Å; T369-F371 PolarHBondContact O-N 3.15Å; T369-V372 WeakPolarHBondContact O-CG2 2.99Å; T369-V372 PolarHBondContact O-N 3.1Å; T369-E373 WeakPolarHBondContact O-CB 3.39Å; T369-E373 WeakPolarHBondContact O-CG 3.47Å; T369-E373 PolarHBondContact O-N 3.33Å
370D97.5Very high94.9Very high56 Ų5641.6 Ų41.630%0.29921%0.213SC..Hα-helixtrans-64.1-37.1175.8176.748.6000112.6D366 F368 E373 K374 H392D366-D370 WeakPolarHBondContact O-CB 2.96Å; D366-D370 PolarHBondContact O-N 3Å; F368-D370 PolarHBondContact O-N 2.93Å; D370-E373 PolarHBondContact O-N 2.77Å; D370-K374 WeakPolarHBondContact O-CG 3.2Å; D370-K374 PolarHBondContact O-N 3.27Å; D370-K374 IonicContact OD1-NZ 3.85Å; D370-K374 PolarHBondContact OD1-NZ 2.99Å; D370-K374 IonicContact OD2-NZ 2.68Å; D370-K374 PolarHBondContact OD2-NZ 2.8Å; D370-H392 IonicContact OD2-CE1 2.85Å; D370-H392 PolarHBondContact OD2-CE1 3.12Å; D370-H392 VanDerWaalsContact OD2-CE1 3.3Å; D370-H392 IonicContact OD2-NE2 2.72Å; D370-H392 PolarHBondContact OD2-NE2 3.36Å
371F98.3Very high95.2Very high0 Ų049.1 Ų49.10%025%0.248CC..Hα-helixtrans-61.2-49.2174.8-179.8-92.8000111.8L185 F260 L264 E367 F368 T369 K374 C375 L389 H392 Y394 I395L185-F371 HydrophobicContact CD1-CE2 4.18Å; L185-F371 HydrophobicContact CD1-CZ 3.97Å; F260-F371 HydrophobicContact CE1-CE1 4.07Å; F260-F371 HydrophobicContact CE1-CZ 4.2Å; L264-F371 HydrophobicContact CD1-CD1 3.98Å; L264-F371 HydrophobicContact CD1-CE1 3.53Å; E367-F371 VanDerWaalsContact O-CB 3.25Å; E367-F371 WeakPolarHBondContact O-CB 3.32Å; E367-F371 PolarHBondContact O-N 3.3Å; F368-F371 WeakPolarHBondContact O-CB 3.43Å; F368-F371 PolarHBondContact O-N 3.12Å; T369-F371 PolarHBondContact O-N 3.15Å; F371-K374 PolarHBondContact O-N 3.49Å; F371-C375 PolarHBondContact O-N 3.15Å; F371-C375 PolarHBondContact O-SG 3.23Å; F371-C375 VanDerWaalsContact O-SG 3.37Å; F371-L389 HydrophobicContact CD2-CD2 3.86Å; F371-L389 HydrophobicContact CE2-CB 3.99Å; F371-L389 HydrophobicContact CE2-CD2 3.57Å; F371-L389 HydrophobicContact CE2-CG 4.32Å; F371-L389 HydrophobicContact CZ-CB 4.49Å; F371-L389 HydrophobicContact CZ-CD2 4.12Å; F371-H392 HydrophobicContact CD2-CB 3.85Å; F371-H392 AromaticContact CD2-CG 3.7Å; F371-H392 AromaticContact CD2-ND1 3.67Å; F371-H392 HydrophobicContact CE2-CB 4.26Å; F371-Y394 HydrophobicContact CB-CD1 4.03Å; F371-Y394 HydrophobicContact CB-CG 4.17Å; F371-Y394 AromaticContact CD1-CD1 3.96Å; F371-Y394 HydrophobicContact CD1-CD1 3.96Å; F371-Y394 HydrophobicContact CD1-CE1 4.27Å; F371-Y394 AromaticContact CD2-CD1 3.95Å; F371-Y394 HydrophobicContact CD2-CD1 3.95Å; F371-Y394 HydrophobicContact CE1-CD1 4.43Å; F371-Y394 HydrophobicContact CE2-CD1 4.4Å; F371-Y394 AromaticContact CG-CD1 3.7Å; F371-Y394 HydrophobicContact CG-CD1 3.7Å; F371-Y394 HydrophobicContact CG-CE1 4.46Å; F371-Y394 HydrophobicContact CG-CG 4.32Å; F371-I395 HydrophobicContact CD2-CG1 4.19Å; F371-I395 HydrophobicContact CE2-CD1 3.89Å; F371-I395 HydrophobicContact CE2-CG1 3.57Å; F371-I395 HydrophobicContact CZ-CD1 4.04Å; F371-I395 HydrophobicContact CZ-CG1 4.22Å
372V97.8Very high95.6Very high0 Ų047.9 Ų47.90%025%0.245CC..Hα-helixtrans-68.6-36.4179.4-620000112L264 I265 L359 F368 T369 K374 C375 L376L264-V372 HydrophobicContact CB-CG1 4.04Å; L264-V372 HydrophobicContact CD1-CG1 4.14Å; I265-V372 HydrophobicContact CD1-CB 4.47Å; I265-V372 HydrophobicContact CD1-CG2 4.34Å; I265-V372 HydrophobicContact CG1-CB 4.27Å; I265-V372 HydrophobicContact CG1-CG1 4.39Å; I265-V372 HydrophobicContact CG1-CG2 4.33Å; L359-V372 HydrophobicContact CD1-CG2 4.26Å; F368-V372 HydrophobicContact CD2-CG1 4.37Å; F368-V372 HydrophobicContact CE1-CG1 4.2Å; F368-V372 HydrophobicContact CE2-CG1 3.87Å; F368-V372 HydrophobicContact CZ-CG1 3.78Å; F368-V372 PolarHBondContact O-N 3.3Å; T369-V372 WeakPolarHBondContact O-CG2 2.99Å; T369-V372 PolarHBondContact O-N 3.1Å; V372-K374 VanDerWaalsContact C-N 3.33Å; V372-K374 PolarHBondContact O-N 3.46Å; V372-C375 WeakPolarHBondContact O-CB 3.47Å; V372-C375 PolarHBondContact O-N 2.99Å; V372-C375 VanDerWaalsContact O-N 3.13Å; V372-L376 WeakPolarHBondContact O-CB 3.35Å; V372-L376 WeakPolarHBondContact O-CG 3.44Å; V372-L376 PolarHBondContact O-N 3.27Å
373E97.2Very high96.2Very high60 Ų6046.1 Ų46.128%0.2822%0.224SC..Hα-helixtrans-61.1-40.3174.4-78.7-176.8-168.600112.2V358 T369 D370 C375 L376 R377V358-E373 HydrophobicContact CG1-CG 4.43Å; V358-E373 WeakPolarHBondContact CG1-OE1 3.42Å; T369-E373 WeakPolarHBondContact O-CB 3.39Å; T369-E373 WeakPolarHBondContact O-CG 3.47Å; T369-E373 PolarHBondContact O-N 3.33Å; D370-E373 PolarHBondContact O-N 2.77Å; E373-C375 VanDerWaalsContact C-N 3.31Å; E373-C375 PolarHBondContact O-N 3.27Å; E373-L376 PolarHBondContact O-N 3.05Å; E373-R377 PolarHBondContact O-N 2.93Å
374K98Very high96.5Very high58 Ų5846 Ų4625%0.25223%0.225SC..Hα-helixtrans-65.5-33174.4-78-170.4-177.478.60112.9D370 F371 V372 R383 A384 L389 H392D370-K374 WeakPolarHBondContact O-CG 3.2Å; D370-K374 PolarHBondContact O-N 3.27Å; D370-K374 IonicContact OD1-NZ 3.85Å; D370-K374 PolarHBondContact OD1-NZ 2.99Å; D370-K374 IonicContact OD2-NZ 2.68Å; D370-K374 PolarHBondContact OD2-NZ 2.8Å; F371-K374 PolarHBondContact O-N 3.49Å; V372-K374 VanDerWaalsContact C-N 3.33Å; V372-K374 PolarHBondContact O-N 3.46Å; K374-R383 WeakPolarHBondContact O-CG 3.47Å; K374-A384 HydrophobicContact CB-CB 3.9Å; K374-A384 HydrophobicContact CD-CB 4.39Å; K374-A384 PolarHBondContact O-N 3.04Å; K374-A384 VanDerWaalsContact O-N 3.09Å; K374-L389 HydrophobicContact CB-CD2 4.45Å; K374-H392 PolarHBondContact NZ-NE2 2.84Å; K374-H392 VanDerWaalsContact NZ-NE2 3.12Å
375C98.3Very high96.6Very high0 Ų048 Ų480%024%0.237CC..Hα-helixtrans-71.3-31.5173.2-66.80000112.6I257 W258 F371 V372 E373 R383I257-C375 HydrophobicContact CG2-CB 3.92Å; W258-C375 WeakPolarHBondContact CA-O 3.25Å; F371-C375 PolarHBondContact O-N 3.15Å; F371-C375 PolarHBondContact O-SG 3.23Å; F371-C375 VanDerWaalsContact O-SG 3.37Å; V372-C375 WeakPolarHBondContact O-CB 3.47Å; V372-C375 PolarHBondContact O-N 2.99Å; V372-C375 VanDerWaalsContact O-N 3.13Å; E373-C375 VanDerWaalsContact C-N 3.31Å; E373-C375 PolarHBondContact O-N 3.27Å; C375-R383 WeakPolarHBondContact O-CD 3.37Å; C375-R383 VanDerWaalsContact O-CG 3.26Å; C375-R383 WeakPolarHBondContact O-CG 3.29Å
376L97.7Very high96.6Very high2 Ų247.2 Ų47.21%0.0123%0.231CC..THydrogen-bonded Turntrans-101.919.4-172.7-65.3176.9000114.4W258 L262 I265 P356 P357 V372 E373 K378W258-L376 HydrophobicContact CD2-CD2 3.95Å; W258-L376 HydrophobicContact CE3-CD2 4.08Å; W258-L376 HydrophobicContact CG-CD2 4.39Å; W258-L376 HydrophobicContact CZ2-CD2 4.47Å; W258-L376 HydrophobicContact CZ3-CB 4.43Å; W258-L376 HydrophobicContact CZ3-CD2 4.42Å; W258-L376 WeakPolarHBondContact CZ3-O 3.33Å; L262-L376 HydrophobicContact CD2-CD1 4.49Å; L262-L376 HydrophobicContact CD2-CD2 3.99Å; L262-L376 HydrophobicContact CG-CD2 3.8Å; I265-L376 HydrophobicContact CD1-CD1 3.36Å; I265-L376 HydrophobicContact CG1-CD1 4.31Å; P356-L376 HydrophobicContact CB-CB 4Å; P356-L376 VanDerWaalsContact CB-O 3.27Å; P356-L376 WeakPolarHBondContact CB-O 3.4Å; P356-L376 WeakPolarHBondContact CG-O 3.46Å; P357-L376 WeakPolarHBondContact O-CD1 3.49Å; V372-L376 WeakPolarHBondContact O-CB 3.35Å; V372-L376 WeakPolarHBondContact O-CG 3.44Å; V372-L376 PolarHBondContact O-N 3.27Å; E373-L376 PolarHBondContact O-N 3.05Å; L376-K378 PolarHBondContact O-N 3.12Å
377R96.8Very high96.6Very high108 Ų10848.7 Ų48.741%0.40823%0.232SC..  trans-61.9125.9167.6-62-68.8173.1178.6-7.7109.3E373 E382 R383E373-R377 PolarHBondContact O-N 2.93Å; R377-E382 HydrophobicContact CB-CB 4.32Å; R377-R383 HydrophobicContact CB-CB 4.05Å; R377-R383 HydrophobicContact CB-CG 4.44Å; R377-R383 VanDerWaalsContact O-CZ 3.29Å; R377-R383 PolarHBondContact O-NE 3.32Å; R377-R383 PolarHBondContact O-NH2 3.37Å
378K93.7Very high96.6Very high61 Ų6148.7 Ų48.727%0.26524%0.237SC..SBendtrans-64.7-40.9-178.3-68-175.573.5169.10111.9P243 W258 V352 E354 P356 L376 P380 R383P243-K378 HydrophobicContact CG-CG 4.36Å; W258-K378 HydrophobicContact CH2-CG 4.09Å; W258-K378 HydrophobicContact CZ3-CG 3.95Å; V352-K378 VanDerWaalsContact C-NZ 3.25Å; V352-K378 VanDerWaalsContact O-CE 3.29Å; V352-K378 WeakPolarHBondContact O-CE 3.35Å; V352-K378 PolarHBondContact O-NZ 3.33Å; E354-K378 PolarHBondContact O-NZ 3.37Å; P356-K378 HydrophobicContact CG-CG 4.45Å; L376-K378 PolarHBondContact O-N 3.12Å; K378-P380 VanDerWaalsContact O-CD 3.32Å; K378-P380 WeakPolarHBondContact O-CD 3.44Å; K378-R383 PolarHBondContact O-NH2 2.88Å
379S94Very high96.6Very high36 Ų3648.7 Ų48.725%0.25224%0.237SC..SBendtrans-68.1118.7172173.70000110.3Q381 E382 R383S379-Q381 PolarHBondContact O-N 3.41Å; S379-Q381 PolarHBondContact OG-OE1 3.47Å; S379-E382 PolarHBondContact O-N 3.36Å; S379-R383 PolarHBondContact O-N 3.24Å
380P94.6Very high96.6Very high24 Ų2448.9 Ų48.916%0.15624%0.238CC..THydrogen-bonded Turntrans-60.2-29.2178.2-23.734.4000113.2E244 Q254 K378E244-P380 HydrophobicContact CB-CG 3.73Å; E244-P380 VanDerWaalsContact CD-CG 3.49Å; E244-P380 HydrophobicContact CG-CG 3.58Å; Q254-P380 HydrophobicContact CB-CB 4.14Å; Q254-P380 PolarHBondContact NE2-O 3.29Å; K378-P380 VanDerWaalsContact O-CD 3.32Å; K378-P380 WeakPolarHBondContact O-CD 3.44Å
381Q93.9Very high96.6Very high161 Ų16152.2 Ų52.275%0.75225%0.251SS*.THydrogen-bonded Turntrans-74.3-31.4179.8-64.377.810.100112.4S379S379-Q381 PolarHBondContact O-N 3.41Å; S379-Q381 PolarHBondContact OG-OE1 3.47Å
382E96.1Very high96.6Very high139 Ų13952.6 Ų52.665%0.6525%0.253SS*.THydrogen-bonded Turntrans-86.5-19.9176.7-64.2174-172.300112.4R377 S379R377-E382 HydrophobicContact CB-CB 4.32Å; S379-E382 PolarHBondContact O-N 3.36Å
383R97.4Very high96.7Very high6 Ų656.4 Ų56.42%0.02328%0.278CS..SBendtrans-64.2136.3177.1-163.3-179.9-60.4146.66.7110.1E244 Q254 I257 K374 C375 R377 K378 S379 N385E244-R383 IonicContact OE1-CZ 3.8Å; E244-R383 IonicContact OE1-NH1 2.72Å; E244-R383 PolarHBondContact OE1-NH1 2.98Å; E244-R383 IonicContact OE1-NH2 2.97Å; E244-R383 IonicContact OE2-CZ 2.75Å; E244-R383 IonicContact OE2-NH1 3.44Å; E244-R383 PolarHBondContact OE2-NH1 3.01Å; E244-R383 IonicContact OE2-NH2 3.92Å; E244-R383 PolarHBondContact OE2-NH2 3.28Å; Q254-R383 PolarHBondContact NE2-O 2.8Å; Q254-R383 WeakPolarHBondContact O-CD 3.45Å; Q254-R383 PolarHBondContact O-NH1 3.32Å; I257-R383 HydrophobicContact CG2-CG 4.02Å; K374-R383 WeakPolarHBondContact O-CG 3.47Å; C375-R383 WeakPolarHBondContact O-CD 3.37Å; C375-R383 VanDerWaalsContact O-CG 3.26Å; C375-R383 WeakPolarHBondContact O-CG 3.29Å; R377-R383 HydrophobicContact CB-CB 4.05Å; R377-R383 HydrophobicContact CB-CG 4.44Å; R377-R383 VanDerWaalsContact O-CZ 3.29Å; R377-R383 PolarHBondContact O-NE 3.32Å; R377-R383 PolarHBondContact O-NH2 3.37Å; K378-R383 PolarHBondContact O-NH2 2.88Å; S379-R383 PolarHBondContact O-N 3.24Å; R383-N385 PolarHBondContact O-N 3.4Å
384A97Very high96.7Very high12 Ų1253.6 Ų53.610%0.09926%0.264CS..PPolyproline II helixtrans-63.4141.2178.200000110.6K374 L389K374-A384 HydrophobicContact CB-CB 3.9Å; K374-A384 HydrophobicContact CD-CB 4.39Å; K374-A384 PolarHBondContact O-N 3.04Å; K374-A384 VanDerWaalsContact O-N 3.09Å; A384-L389 HydrophobicContact CB-CD1 4.26Å; A384-L389 HydrophobicContact CB-CD2 3.68Å; A384-L389 HydrophobicContact CB-CG 3.72Å
385N95.7Very high96.7Very high67 Ų6750.8 Ų50.836%0.35825%0.252SS..PPolyproline II helixtrans-87.8165.7173.26657.9000110.9R383 K387 T388 L389R383-N385 PolarHBondContact O-N 3.4Å; N385-K387 VanDerWaalsContact C-N 3.27Å; N385-K387 PolarHBondContact O-N 3.01Å; N385-K387 WeakPolarHBondContact OD1-CB 3.27Å; N385-K387 PolarHBondContact OD1-N 3.26Å; N385-K387 VanDerWaalsContact OD1-N 3.08Å; N385-T388 PolarHBondContact ND2-OG1 2.91Å; N385-T388 PolarHBondContact O-N 3.31Å; N385-T388 VanDerWaalsContact O-N 3.16Å; N385-T388 PolarHBondContact OD1-N 3.21Å; N385-T388 PolarHBondContact OD1-OG1 3.09Å; N385-L389 WeakPolarHBondContact O-CG 3.29Å; N385-L389 PolarHBondContact O-N 3.04Å
386V96.8Very high96.7Very high10 Ų1054 Ų546%0.06127%0.267CS..Hα-helixtrans-52.6-43.6-178.6178.70000112.2L185 L188 Q189 I253 I257 L389 L390L185-V386 HydrophobicContact CB-CG1 4.49Å; L185-V386 HydrophobicContact CD2-CG1 4.43Å; L185-V386 WeakPolarHBondContact O-CG1 3.28Å; L188-V386 HydrophobicContact CB-CG2 4.35Å; Q189-V386 HydrophobicContact CB-CG1 3.77Å; Q189-V386 HydrophobicContact CG-CG1 4.36Å; I253-V386 HydrophobicContact CD1-CG2 4.41Å; I253-V386 HydrophobicContact CG1-CG2 3.84Å; I257-V386 HydrophobicContact CD1-CG2 3.75Å; I257-V386 HydrophobicContact CG1-CG2 4.34Å; V386-L389 PolarHBondContact O-N 2.75Å; V386-L390 HydrophobicContact CG1-CD1 3.93Å; V386-L390 HydrophobicContact CG1-CG 4.33Å; V386-L390 WeakPolarHBondContact O-CB 3.18Å; V386-L390 WeakPolarHBondContact O-CG 3.15Å; V386-L390 PolarHBondContact O-N 3.44Å
387K95.4Very high96.7Very high141 Ų14156.9 Ų56.961%0.61328%0.278SS*.Hα-helixtrans-64.4-43.5-178.5-173.6177.1-178.71770111.8N385 H391N385-K387 VanDerWaalsContact C-N 3.27Å; N385-K387 PolarHBondContact O-N 3.01Å; N385-K387 WeakPolarHBondContact OD1-CB 3.27Å; N385-K387 PolarHBondContact OD1-N 3.26Å; N385-K387 VanDerWaalsContact OD1-N 3.08Å; K387-H391 PolarHBondContact O-ND1 3.29Å
388T97.2Very high96.7Very high73 Ų7351.8 Ų51.845%0.44826%0.259SS..Hα-helixtrans-65.5-41.8175.5-56.40000111N385 H391 H392N385-T388 PolarHBondContact ND2-OG1 2.91Å; N385-T388 PolarHBondContact O-N 3.31Å; N385-T388 VanDerWaalsContact O-N 3.16Å; N385-T388 PolarHBondContact OD1-N 3.21Å; N385-T388 PolarHBondContact OD1-OG1 3.09Å; T388-H391 PolarHBondContact O-N 2.65Å; T388-H392 PolarHBondContact O-N 2.8Å
389L98.3Very high96.8Very high0 Ų053.2 Ų53.20%027%0.265CS..Hα-helixtrans-65.7-38.2179.5-70.5169.8000112.5L185 I257 F371 K374 A384 N385 V386 H391 H392 I395L185-L389 HydrophobicContact CD1-CB 3.78Å; L185-L389 HydrophobicContact CD2-CB 3.91Å; L185-L389 HydrophobicContact CD2-CD1 3.93Å; I257-L389 HydrophobicContact CD1-CD1 3.67Å; I257-L389 HydrophobicContact CG1-CD1 4.2Å; I257-L389 HydrophobicContact CG2-CD1 3.72Å; F371-L389 HydrophobicContact CD2-CD2 3.86Å; F371-L389 HydrophobicContact CE2-CB 3.99Å; F371-L389 HydrophobicContact CE2-CD2 3.57Å; F371-L389 HydrophobicContact CE2-CG 4.32Å; F371-L389 HydrophobicContact CZ-CB 4.49Å; F371-L389 HydrophobicContact CZ-CD2 4.12Å; K374-L389 HydrophobicContact CB-CD2 4.45Å; A384-L389 HydrophobicContact CB-CD1 4.26Å; A384-L389 HydrophobicContact CB-CD2 3.68Å; A384-L389 HydrophobicContact CB-CG 3.72Å; N385-L389 WeakPolarHBondContact O-CG 3.29Å; N385-L389 PolarHBondContact O-N 3.04Å; V386-L389 PolarHBondContact O-N 2.75Å; L389-H391 PolarHBondContact O-N 3.45Å; L389-H391 VanDerWaalsContact O-N 3.15Å; L389-H392 WeakPolarHBondContact O-CB 3.26Å; L389-H392 PolarHBondContact O-N 2.85Å; L389-I395 VanDerWaalsContact O-CG1 3.23Å; L389-I395 WeakPolarHBondContact O-CG1 3.33Å
390L97.2Very high96.8Very high13 Ų1359 Ų597%0.06829%0.288CS..Hα-helixtrans-62.9-18.5177.5-80.6170.4000114.4L185 Q189 V386 I395 K399L185-L390 HydrophobicContact CB-CD2 3.62Å; L185-L390 HydrophobicContact CB-CG 4Å; L185-L390 HydrophobicContact CD1-CD2 4.13Å; L185-L390 HydrophobicContact CD1-CG 4.3Å; Q189-L390 VanDerWaalsContact OE1-CD1 3.24Å; V386-L390 HydrophobicContact CG1-CD1 3.93Å; V386-L390 HydrophobicContact CG1-CG 4.33Å; V386-L390 WeakPolarHBondContact O-CB 3.18Å; V386-L390 WeakPolarHBondContact O-CG 3.15Å; V386-L390 PolarHBondContact O-N 3.44Å; L390-I395 WeakPolarHBondContact O-CG2 3.41Å; L390-K399 PolarHBondContact O-NZ 3.32Å
391H97.6Very high96.8Very high126 Ų12659.8 Ų59.858%0.58329%0.29SS*.THydrogen-bonded Turntrans-110.511.7176.1-59.586.8000112.3K387 T388 L389K387-H391 PolarHBondContact O-ND1 3.29Å; T388-H391 PolarHBondContact O-N 2.65Å; L389-H391 PolarHBondContact O-N 3.45Å; L389-H391 VanDerWaalsContact O-N 3.15Å
392H98.6Very high96.8Very high8 Ų859.2 Ų59.24%0.03730%0.297CS..SBendtrans-67.1144178.1-165.3-94.3000110.7E367 D370 F371 K374 T388 L389 Y394 I395 E396E367-H392 PolarHBondContact O-CE1 2.6Å; D370-H392 IonicContact OD2-CE1 2.85Å; D370-H392 PolarHBondContact OD2-CE1 3.12Å; D370-H392 VanDerWaalsContact OD2-CE1 3.3Å; D370-H392 IonicContact OD2-NE2 2.72Å; D370-H392 PolarHBondContact OD2-NE2 3.36Å; F371-H392 HydrophobicContact CD2-CB 3.85Å; F371-H392 AromaticContact CD2-CG 3.7Å; F371-H392 AromaticContact CD2-ND1 3.67Å; F371-H392 HydrophobicContact CE2-CB 4.26Å; K374-H392 PolarHBondContact NZ-NE2 2.84Å; K374-H392 VanDerWaalsContact NZ-NE2 3.12Å; T388-H392 PolarHBondContact O-N 2.8Å; L389-H392 WeakPolarHBondContact O-CB 3.26Å; L389-H392 PolarHBondContact O-N 2.85Å; H392-Y394 WeakPolarHBondContact ND1-CB 3.24Å; H392-Y394 PolarHBondContact ND1-N 3.44Å; H392-Y394 PolarHBondContact O-N 3.05Å; H392-Y394 VanDerWaalsContact O-N 3.12Å; H392-I395 HydrophobicContact CB-CG1 4.36Å; H392-I395 WeakPolarHBondContact O-CA 3.13Å; H392-I395 WeakPolarHBondContact O-CB 3.48Å; H392-I395 PolarHBondContact O-N 3.01Å; H392-E396 PolarHBondContact O-N 3.2Å
393P98.5Very high96.6Very high80 Ų8054.6 Ų54.652%0.51928%0.276SS..Hα-helixtrans-50-40.9178.5-30.936.1000114.2E367 I395 E396 R397E367-P393 HydrophobicContact CG-CB 4.3Å; P393-I395 PolarHBondContact O-N 2.77Å; P393-E396 PolarHBondContact O-N 2.76Å; P393-R397 WeakPolarHBondContact O-CB 3.3Å; P393-R397 PolarHBondContact O-N 3.34Å
394Y98.5Very high96.5Very high0 Ų059.2 Ų59.20%030%0.302CS..Hα-helixtrans-56.6-44.8173.7175.8-111000113.3E174 L177 G178 F368 F371 H392 S398E174-Y394 HydrophobicContact CG-CE2 3.97Å; E174-Y394 PolarHBondContact O-OH 3.37Å; L177-Y394 VanDerWaalsContact C-OH 3.29Å; G178-Y394 WeakPolarHBondContact CA-OH 3.39Å; G178-Y394 PolarHBondContact N-OH 2.88Å; F368-Y394 HydrophobicContact CB-CD2 3.87Å; F368-Y394 HydrophobicContact CB-CE2 3.77Å; F368-Y394 HydrophobicContact CD2-CD1 4.45Å; F368-Y394 HydrophobicContact CD2-CD2 4.24Å; F368-Y394 AromaticContact CD2-CE1 3.86Å; F368-Y394 HydrophobicContact CD2-CE1 3.86Å; F368-Y394 AromaticContact CD2-CE2 3.61Å; F368-Y394 HydrophobicContact CD2-CE2 3.61Å; F368-Y394 AromaticContact CD2-CZ 3.38Å; F368-Y394 WeakPolarHBondContact CD2-OH 3.33Å; F368-Y394 HydrophobicContact CE2-CE1 4.4Å; F368-Y394 HydrophobicContact CG-CE2 4.12Å; F371-Y394 HydrophobicContact CB-CD1 4.03Å; F371-Y394 HydrophobicContact CB-CG 4.17Å; F371-Y394 AromaticContact CD1-CD1 3.96Å; F371-Y394 HydrophobicContact CD1-CD1 3.96Å; F371-Y394 HydrophobicContact CD1-CE1 4.27Å; F371-Y394 AromaticContact CD2-CD1 3.95Å; F371-Y394 HydrophobicContact CD2-CD1 3.95Å; F371-Y394 HydrophobicContact CE1-CD1 4.43Å; F371-Y394 HydrophobicContact CE2-CD1 4.4Å; F371-Y394 AromaticContact CG-CD1 3.7Å; F371-Y394 HydrophobicContact CG-CD1 3.7Å; F371-Y394 HydrophobicContact CG-CE1 4.46Å; F371-Y394 HydrophobicContact CG-CG 4.32Å; H392-Y394 WeakPolarHBondContact ND1-CB 3.24Å; H392-Y394 PolarHBondContact ND1-N 3.44Å; H392-Y394 PolarHBondContact O-N 3.05Å; H392-Y394 VanDerWaalsContact O-N 3.12Å; Y394-S398 VanDerWaalsContact O-CB 3.27Å; Y394-S398 WeakPolarHBondContact O-CB 3.28Å; Y394-S398 PolarHBondContact O-N 2.65Å; Y394-S398 PolarHBondContact O-OG 2.87Å
395I98.4Very high96.5Very high0 Ų059.3 Ų59.30%030%0.3CS..Hα-helixtrans-70.8-42.2179.9-67.2-59.5000110.6S181 I182 L185 F371 L389 L390 H392 P393 R397 S398 K399S181-I395 VanDerWaalsContact CB-CD1 3.5Å; I182-I395 HydrophobicContact CG1-CD1 4.26Å; I182-I395 HydrophobicContact CG1-CG2 4.09Å; L185-I395 HydrophobicContact CD1-CD1 4Å; L185-I395 HydrophobicContact CD1-CG1 4.07Å; F371-I395 HydrophobicContact CD2-CG1 4.19Å; F371-I395 HydrophobicContact CE2-CD1 3.89Å; F371-I395 HydrophobicContact CE2-CG1 3.57Å; F371-I395 HydrophobicContact CZ-CD1 4.04Å; F371-I395 HydrophobicContact CZ-CG1 4.22Å; L389-I395 VanDerWaalsContact O-CG1 3.23Å; L389-I395 WeakPolarHBondContact O-CG1 3.33Å; L390-I395 WeakPolarHBondContact O-CG2 3.41Å; H392-I395 HydrophobicContact CB-CG1 4.36Å; H392-I395 WeakPolarHBondContact O-CA 3.13Å; H392-I395 WeakPolarHBondContact O-CB 3.48Å; H392-I395 PolarHBondContact O-N 3.01Å; P393-I395 PolarHBondContact O-N 2.77Å; I395-R397 PolarHBondContact O-N 2.81Å; I395-S398 PolarHBondContact O-N 3.4Å; I395-K399 HydrophobicContact CG2-CD 4.4Å; I395-K399 WeakPolarHBondContact O-CG 3.38Å; I395-K399 PolarHBondContact O-N 3.38Å
396E97.8Very high96.5Very high67 Ų6756.9 Ų56.931%0.31329%0.289SS..Hα-helixtrans-61.2-43.4176.3-67.7-54.7139.800111.9H392 P393 K399 Q400H392-E396 PolarHBondContact O-N 3.2Å; P393-E396 PolarHBondContact O-N 2.76Å; E396-K399 PolarHBondContact O-N 3.27Å; E396-K399 IonicContact OE1-NZ 2.7Å; E396-K399 PolarHBondContact OE1-NZ 2.94Å; E396-K399 IonicContact OE2-NZ 2.6Å; E396-Q400 PolarHBondContact O-N 2.92Å
397R97.7Very high96.4Very high62 Ų6257.2 Ų57.223%0.23429%0.294CS..Hα-helixtrans-61.6-48.4172.9-166.9-173.375.9-153.7-6.2111.4E174 S365 E367 P393 I395 K399 Q400 E401E174-R397 IonicContact OE1-CZ 3.72Å; E174-R397 IonicContact OE1-NH1 2.88Å; E174-R397 IonicContact OE1-NH2 3.62Å; E174-R397 PolarHBondContact OE1-NH2 2.75Å; S365-R397 PolarHBondContact OG-NH1 2.89Å; E367-R397 IonicContact OE1-NH1 3.57Å; E367-R397 IonicContact OE2-NH1 2.65Å; E367-R397 PolarHBondContact OE2-NH1 3.2Å; P393-R397 WeakPolarHBondContact O-CB 3.3Å; P393-R397 PolarHBondContact O-N 3.34Å; I395-R397 PolarHBondContact O-N 2.81Å; R397-K399 PolarHBondContact O-N 3.41Å; R397-Q400 PolarHBondContact O-N 3.03Å; R397-E401 IonicContact CZ-OE1 2.65Å; R397-E401 IonicContact NE-OE1 3.3Å; R397-E401 PolarHBondContact NE-OE1 3.09Å; R397-E401 IonicContact NH2-OE1 3Å; R397-E401 PolarHBondContact O-N 3.13Å; R397-E401 VanDerWaalsContact O-N 3.1Å
398S97.5Very high96.5Very high1 Ų152.6 Ų52.61%0.00727%0.273CS..Hα-helixtrans-61.3-29.5180-61.40000113.2G178 K179 Y394 I395 Q400G178-S398 VanDerWaalsContact CA-OG 3.28Å; G178-S398 WeakPolarHBondContact CA-OG 3.49Å; K179-S398 PolarHBondContact NZ-O 3.02Å; Y394-S398 VanDerWaalsContact O-CB 3.27Å; Y394-S398 WeakPolarHBondContact O-CB 3.28Å; Y394-S398 PolarHBondContact O-N 2.65Å; Y394-S398 PolarHBondContact O-OG 2.87Å; I395-S398 PolarHBondContact O-N 3.4Å; S398-Q400 VanDerWaalsContact C-N 3.33Å
399K94.8Very high96.4Very high92 Ų9249.2 Ų49.240%0.425%0.252SS..Hα-helixtrans-66.3-36.2174-75.4170-172.7163.10111.5I182 L390 I395 E396 R397I182-K399 HydrophobicContact CD1-CB 4.44Å; I182-K399 HydrophobicContact CD1-CG 3.75Å; I182-K399 HydrophobicContact CG1-CG 4.3Å; L390-K399 PolarHBondContact O-NZ 3.32Å; I395-K399 HydrophobicContact CG2-CD 4.4Å; I395-K399 WeakPolarHBondContact O-CG 3.38Å; I395-K399 PolarHBondContact O-N 3.38Å; E396-K399 PolarHBondContact O-N 3.27Å; E396-K399 IonicContact OE1-NZ 2.7Å; E396-K399 PolarHBondContact OE1-NZ 2.94Å; E396-K399 IonicContact OE2-NZ 2.6Å; R397-K399 PolarHBondContact O-N 3.41Å
400Q95Very high96.3Very high156 Ų15655 Ų5573%0.72927%0.274SS*.Hα-helixtrans-82.1-25.6-177.8-62.8177.13.900113.3E396 R397 S398 V402E396-Q400 PolarHBondContact O-N 2.92Å; R397-Q400 PolarHBondContact O-N 3.03Å; S398-Q400 VanDerWaalsContact C-N 3.33Å; Q400-V402 PolarHBondContact O-N 3.28Å
401E94.2Very high96.1Very high41 Ų4159 Ų5919%0.19229%0.293CS..  trans-64.6123.8178.5-73.3172.1-169.300111.7Q175 K179 R397 I403Q175-E401 WeakPolarHBondContact CG-OE2 3.45Å; K179-E401 WeakPolarHBondContact CE-O 3.42Å; K179-E401 PolarHBondContact NZ-O 2.74Å; R397-E401 IonicContact CZ-OE1 2.65Å; R397-E401 IonicContact NE-OE1 3.3Å; R397-E401 PolarHBondContact NE-OE1 3.09Å; R397-E401 IonicContact NH2-OE1 3Å; R397-E401 PolarHBondContact O-N 3.13Å; R397-E401 VanDerWaalsContact O-N 3.1Å; E401-I403 HydrophobicContact CB-CD1 3.8Å; E401-I403 HydrophobicContact CB-CG1 4.31Å
402V92.4Very high95.8Very high149 Ų14953.3 Ų53.390%0.90327%0.266SS*.  trans-89.7108.8174.7-178.20000108.6Q400Q400-V402 PolarHBondContact O-N 3.28Å
403I93.4Very high95.4Very high42 Ų4256.1 Ų56.122%0.21528%0.281CS..  trans-130.7131.3-176.5-63.5151.3000108.4Q175 I176 K179 E401 F405Q175-I403 HydrophobicContact CB-CD1 3.47Å; Q175-I403 VanDerWaalsContact CB-CD1 3.47Å; Q175-I403 HydrophobicContact CB-CG1 4.18Å; Q175-I403 HydrophobicContact CG-CD1 4.03Å; Q175-I403 WeakPolarHBondContact O-CD1 3.36Å; I176-I403 HydrophobicContact CD1-CG2 3.84Å; K179-I403 HydrophobicContact CG-CD1 4.38Å; E401-I403 HydrophobicContact CB-CD1 3.8Å; E401-I403 HydrophobicContact CB-CG1 4.31Å; I403-F405 PolarHBondContact O-N 3.07Å
404D95.4Very high94.7Very high104 Ų10455.6 Ų55.656%0.55629%0.29SS*.  trans-77.771.1171.6-174.414.5000110.7A406 G407 W408 R410D404-A406 PolarHBondContact O-N 2.82Å; D404-G407 VanDerWaalsContact CG-N 3.33Å; D404-G407 PolarHBondContact O-N 3.36Å; D404-G407 PolarHBondContact OD1-N 3.07Å; D404-G407 WeakPolarHBondContact OD2-CA 3.37Å; D404-W408 PolarHBondContact O-N 3.22Å; D404-R410 IonicContact OD1-NH2 2.76Å; D404-R410 IonicContact OD2-NH2 3.88Å
405F96Very high94Very high13 Ų1360.7 Ų60.76%0.05731%0.309CS..Hα-helixtrans-60.4-36.3178-172.5-86.2000111.3I176 K179 I180 V209 I215 I403 W408 V409I176-F405 HydrophobicContact CD1-CD2 3.99Å; I176-F405 HydrophobicContact CG2-CD2 4.13Å; I176-F405 HydrophobicContact CG2-CE2 3.66Å; K179-F405 HydrophobicContact CB-CD2 3.98Å; K179-F405 HydrophobicContact CB-CE2 4.34Å; K179-F405 HydrophobicContact CG-CD2 4.4Å; I180-F405 HydrophobicContact CD1-CE2 4.48Å; I180-F405 HydrophobicContact CG1-CE2 4.12Å; I180-F405 HydrophobicContact CG1-CZ 4.33Å; V209-F405 HydrophobicContact CB-CE1 4.41Å; V209-F405 HydrophobicContact CG1-CE1 4.08Å; V209-F405 HydrophobicContact CG1-CZ 3.98Å; I215-F405 HydrophobicContact CD1-CD1 4.35Å; I215-F405 HydrophobicContact CD1-CD2 4.35Å; I215-F405 HydrophobicContact CD1-CE1 3.75Å; I215-F405 HydrophobicContact CD1-CE2 3.72Å; I215-F405 HydrophobicContact CD1-CZ 3.4Å; I215-F405 HydrophobicContact CG1-CD1 4.33Å; I215-F405 HydrophobicContact CG1-CE1 3.53Å; I215-F405 HydrophobicContact CG1-CE2 4.37Å; I215-F405 HydrophobicContact CG1-CZ 3.56Å; I403-F405 PolarHBondContact O-N 3.07Å; F405-W408 HydrophobicContact CD2-CE3 4.33Å; F405-W408 HydrophobicContact CE2-CE3 4.07Å; F405-W408 AromaticContact CE2-CZ3 4Å; F405-W408 HydrophobicContact CE2-CZ3 4Å; F405-W408 HydrophobicContact CZ-CE3 4.21Å; F405-W408 AromaticContact CZ-CZ3 3.96Å; F405-W408 HydrophobicContact CZ-CZ3 3.96Å; F405-W408 PolarHBondContact O-N 3.19Å; F405-V409 HydrophobicContact CD1-CG2 3.84Å; F405-V409 HydrophobicContact CE1-CG2 3.47Å; F405-V409 VanDerWaalsContact CE1-CG2 3.47Å; F405-V409 HydrophobicContact CZ-CG2 4.16Å; F405-V409 WeakPolarHBondContact O-CG2 3.27Å; F405-V409 PolarHBondContact O-N 3.23Å
406A95.6Very high93Very high16 Ų1668.3 Ų68.313%0.13234%0.342CS..Hα-helixtrans-66.4-41.9178.500000111.6D404 V409 R410D404-A406 PolarHBondContact O-N 2.82Å; A406-V409 PolarHBondContact O-N 3.41Å; A406-R410 VanDerWaalsContact CB-NH1 3.29Å; A406-R410 WeakPolarHBondContact O-CG 3.32Å; A406-R410 PolarHBondContact O-N 3.09Å; A406-R410 PolarHBondContact O-NH1 3.28Å
407G96Very high91.7Very high17 Ų1767.4 Ų67.418%0.17534%0.34CS..Hα-helixtrans-60.5-44.6172.600000112.3D404 V409 R410 E411D404-G407 VanDerWaalsContact CG-N 3.33Å; D404-G407 PolarHBondContact O-N 3.36Å; D404-G407 PolarHBondContact OD1-N 3.07Å; D404-G407 WeakPolarHBondContact OD2-CA 3.37Å; G407-V409 PolarHBondContact O-N 3.25Å; G407-R410 PolarHBondContact O-N 3.49Å; G407-E411 PolarHBondContact O-N 3.46Å
408W95.8Very high90.3Very high44 Ų4468.6 Ų68.617%0.16736%0.356CS..Hα-helixtrans-59.1-45.3174.8178.277.5000112.2V165 T169 F172 I176 D404 F405 E411 M412V165-W408 HydrophobicContact CG1-CH2 3.58Å; V165-W408 HydrophobicContact CG1-CZ2 4.09Å; V165-W408 HydrophobicContact CG1-CZ3 4.24Å; T169-W408 HydrophobicContact CG2-CZ2 3.83Å; F172-W408 HydrophobicContact CD1-CH2 4.36Å; F172-W408 HydrophobicContact CD1-CZ2 4.22Å; F172-W408 AromaticContact CD2-CH2 3.95Å; F172-W408 HydrophobicContact CD2-CH2 3.95Å; F172-W408 HydrophobicContact CD2-CZ2 4.38Å; F172-W408 HydrophobicContact CE1-CH2 4.03Å; F172-W408 HydrophobicContact CE1-CZ2 4.17Å; F172-W408 AromaticContact CE2-CH2 3.61Å; F172-W408 HydrophobicContact CE2-CH2 3.61Å; F172-W408 HydrophobicContact CE2-CZ2 4.37Å; F172-W408 HydrophobicContact CG-CH2 4.33Å; F172-W408 HydrophobicContact CG-CZ2 4.33Å; F172-W408 AromaticContact CZ-CH2 3.67Å; F172-W408 HydrophobicContact CZ-CH2 3.67Å; F172-W408 HydrophobicContact CZ-CZ2 4.27Å; I176-W408 HydrophobicContact CD1-CB 4.23Å; I176-W408 HydrophobicContact CD1-CD2 3.9Å; I176-W408 HydrophobicContact CD1-CE3 4.21Å; I176-W408 HydrophobicContact CD1-CG 3.9Å; I176-W408 HydrophobicContact CG1-CD2 4.27Å; I176-W408 HydrophobicContact CG2-CD2 4.24Å; I176-W408 HydrophobicContact CG2-CE3 3.96Å; I176-W408 HydrophobicContact CG2-CH2 3.65Å; I176-W408 HydrophobicContact CG2-CZ2 3.92Å; I176-W408 HydrophobicContact CG2-CZ3 3.67Å; D404-W408 PolarHBondContact O-N 3.22Å; F405-W408 HydrophobicContact CD2-CE3 4.33Å; F405-W408 HydrophobicContact CE2-CE3 4.07Å; F405-W408 AromaticContact CE2-CZ3 4Å; F405-W408 HydrophobicContact CE2-CZ3 4Å; F405-W408 HydrophobicContact CZ-CE3 4.21Å; F405-W408 AromaticContact CZ-CZ3 3.96Å; F405-W408 HydrophobicContact CZ-CZ3 3.96Å; F405-W408 PolarHBondContact O-N 3.19Å; W408-E411 WeakPolarHBondContact O-CB 3.49Å; W408-E411 PolarHBondContact O-N 3.25Å; W408-M412 HydrophobicContact CZ2-CG 4.45Å; W408-M412 WeakPolarHBondContact O-CG 3.41Å; W408-M412 PolarHBondContact O-N 2.84Å; W408-M412 VanDerWaalsContact O-N 3.15Å
409V95.7Very high88.6Confident2 Ų276.2 Ų76.21%0.01240%0.396CS..Hα-helixtrans-63.2-44.5175.71760000111.6V209 N210 F405 A406 G407 E411 M412 I413V209-V409 HydrophobicContact CB-CG2 4.16Å; V209-V409 HydrophobicContact CG2-CG1 4.12Å; V209-V409 HydrophobicContact CG2-CG2 4.1Å; N210-V409 WeakPolarHBondContact O-CG1 3.37Å; F405-V409 HydrophobicContact CD1-CG2 3.84Å; F405-V409 HydrophobicContact CE1-CG2 3.47Å; F405-V409 VanDerWaalsContact CE1-CG2 3.47Å; F405-V409 HydrophobicContact CZ-CG2 4.16Å; F405-V409 WeakPolarHBondContact O-CG2 3.27Å; F405-V409 PolarHBondContact O-N 3.23Å; A406-V409 PolarHBondContact O-N 3.41Å; G407-V409 PolarHBondContact O-N 3.25Å; V409-E411 VanDerWaalsContact C-N 3.28Å; V409-E411 PolarHBondContact O-N 3.45Å; V409-M412 PolarHBondContact O-N 3.28Å; V409-I413 HydrophobicContact CG1-CD1 3.94Å; V409-I413 HydrophobicContact CG1-CG1 4.27Å; V409-I413 WeakPolarHBondContact O-CG1 3.29Å; V409-I413 PolarHBondContact O-N 2.77Å
410R95.6Very high86.9Confident122 Ų12277.7 Ų77.746%0.4640%0.404SS..Hα-helixtrans-59.1-40.1178.3-75.4-174-61.7-902.5112.2S211 D404 A406 G407 M412 I413 G414S211-R410 PolarHBondContact O-NH1 3.1Å; D404-R410 IonicContact OD1-NH2 2.76Å; D404-R410 IonicContact OD2-NH2 3.88Å; A406-R410 VanDerWaalsContact CB-NH1 3.29Å; A406-R410 WeakPolarHBondContact O-CG 3.32Å; A406-R410 PolarHBondContact O-N 3.09Å; A406-R410 PolarHBondContact O-NH1 3.28Å; G407-R410 PolarHBondContact O-N 3.49Å; R410-M412 VanDerWaalsContact C-N 3.33Å; R410-M412 PolarHBondContact O-N 3.17Å; R410-I413 PolarHBondContact O-N 2.75Å; R410-G414 PolarHBondContact O-N 3.14Å
411E94.2Very high84.2Confident98 Ų9873.1 Ų73.146%0.45840%0.399SS..Hα-helixtrans-60.6-43.5174-169.4-167.7161.300111.1G407 W408 V409 G414 R415G407-E411 PolarHBondContact O-N 3.46Å; W408-E411 WeakPolarHBondContact O-CB 3.49Å; W408-E411 PolarHBondContact O-N 3.25Å; V409-E411 VanDerWaalsContact C-N 3.28Å; V409-E411 PolarHBondContact O-N 3.45Å; E411-G414 PolarHBondContact O-N 3.18Å; E411-R415 PolarHBondContact O-N 2.83Å; E411-R415 IonicContact OE1-CZ 3.48Å; E411-R415 IonicContact OE1-NE 3.16Å; E411-R415 IonicContact OE1-NH2 2.84Å; E411-R415 PolarHBondContact OE1-NH2 3.24Å
412M91.4Very high81.3Confident5 Ų582.5 Ų82.53%0.02545%0.45CS..Hα-helixtrans-70.3-31.4179.4-63.4-46.7115.400113.9V165 K168 T169 W408 V409 R410 G414 R415V165-M412 HydrophobicContact CG1-CB 4.27Å; V165-M412 HydrophobicContact CG1-CG 4.06Å; K168-M412 WeakPolarHBondContact CD-O 3.21Å; K168-M412 PolarHBondContact NZ-O 3.41Å; T169-M412 HydrophobicContact CG2-CE 4.32Å; T169-M412 HydrophobicContact CG2-CG 3.73Å; T169-M412 HydrophobicContact CG2-SD 3.18Å; T169-M412 WeakPolarHBondContact CG2-SD 3.34Å; W408-M412 HydrophobicContact CZ2-CG 4.45Å; W408-M412 WeakPolarHBondContact O-CG 3.41Å; W408-M412 PolarHBondContact O-N 2.84Å; W408-M412 VanDerWaalsContact O-N 3.15Å; V409-M412 PolarHBondContact O-N 3.28Å; R410-M412 VanDerWaalsContact C-N 3.33Å; R410-M412 PolarHBondContact O-N 3.17Å; M412-G414 VanDerWaalsContact C-N 3.27Å; M412-G414 PolarHBondContact O-N 2.94Å; M412-R415 PolarHBondContact O-N 2.7Å
413I88.8Confident80.7Confident68 Ų6879.2 Ų79.235%0.34943%0.428SS..Hα-helixtrans-60.9-41.2173-69.4169.2000110V409 R410 R415V409-I413 HydrophobicContact CG1-CD1 3.94Å; V409-I413 HydrophobicContact CG1-CG1 4.27Å; V409-I413 WeakPolarHBondContact O-CG1 3.29Å; V409-I413 PolarHBondContact O-N 2.77Å; R410-I413 PolarHBondContact O-N 2.75Å; I413-R415 VanDerWaalsContact C-N 3.31Å; I413-R415 PolarHBondContact O-N 2.92Å
414G85.4Confident80Confident69 Ų6981.2 Ų81.271%0.71144%0.439SS*.Hα-helixtrans-72.2-15.9179.900000115.4R410 E411 M412R410-G414 PolarHBondContact O-N 3.14Å; E411-G414 PolarHBondContact O-N 3.18Å; M412-G414 VanDerWaalsContact C-N 3.27Å; M412-G414 PolarHBondContact O-N 2.94Å
415R83.8Confident79.2Confident106 Ų10679.9 Ų79.940%0.443%0.432SS..SBendtrans-81.9137.1178.3-68.8-178.3-175.5-160.60.5111.6K168 E411 M412 I413K168-R415 HydrophobicContact CD-CB 4.37Å; K168-R415 WeakPolarHBondContact CE-O 3.26Å; K168-R415 PolarHBondContact NZ-O 3.37Å; E411-R415 PolarHBondContact O-N 2.83Å; E411-R415 IonicContact OE1-CZ 3.48Å; E411-R415 IonicContact OE1-NE 3.16Å; E411-R415 IonicContact OE1-NH2 2.84Å; E411-R415 PolarHBondContact OE1-NH2 3.24Å; M412-R415 PolarHBondContact O-N 2.7Å; I413-R415 VanDerWaalsContact C-N 3.31Å; I413-R415 PolarHBondContact O-N 2.92Å
416K76.1Confident78.2Confident160 Ų16083.8 Ų83.870%0.69646%0.455SS*.PPolyproline II helixtrans-72.2154.1169.4-69.7-170.2174.5-171.30111.1
417L71.8Confident77.1Confident49 Ų4988.1 Ų88.126%0.25748%0.475SS..PPolyproline II helixtrans-68.6148.5169.9-74.1167.5000110I164 K167 K168 D419 E420I164-L417 HydrophobicContact CG2-CD2 4.43Å; K167-L417 HydrophobicContact CB-CD2 3.98Å; K168-L417 HydrophobicContact CG-CD2 3.82Å; L417-D419 PolarHBondContact O-N 2.89Å; L417-D419 VanDerWaalsContact O-N 3.16Å; L417-E420 HydrophobicContact CB-CG 4.11Å; L417-E420 PolarHBondContact O-N 3.22Å
418P66.6Low75.9Confident87 Ų8792.8 Ų92.857%0.56550%0.495SS*.G310 helixtrans-54.3-35.4179.6-25.333.5000113.3K167 E420K167-P418 WeakPolarHBondContact O-CD 3.31Å; K167-P418 VanDerWaalsContact O-CG 3.28Å; K167-P418 WeakPolarHBondContact O-CG 3.39Å; P418-E420 VanDerWaalsContact C-N 3.32Å; P418-E420 PolarHBondContact O-N 3.11Å
419D63.6Low74.4Confident160 Ų16096.3 Ų96.386%0.85652%0.518SS*.G310 helixtrans-82.6-6.6-176.6-54.7-31.8000113.6L417 G421L417-D419 PolarHBondContact O-N 2.89Å; L417-D419 VanDerWaalsContact O-N 3.16Å; D419-G421 VanDerWaalsContact C-N 3.3Å
420E57.6Low72.8Confident124 Ų124103.5 Ų103.558%0.57956%0.557SS**G310 helixtrans-92.210.5176.4-68.7-177.6160.100112.9L417 P418L417-E420 HydrophobicContact CB-CG 4.11Å; L417-E420 PolarHBondContact O-N 3.22Å; P418-E420 VanDerWaalsContact C-N 3.32Å; P418-E420 PolarHBondContact O-N 3.11Å
421G39.3Very low70.9Confident59 Ų59102 Ų10261%0.60857%0.565SS**  trans-114.277.4175.700000112D419D419-G421 VanDerWaalsContact C-N 3.3Å
422N32.4Very low68.8Low239 Ų239102.4 Ų102.4100%1.27858%0.575SS**  trans-154.80150.4-132.312000110.7

Retrieved 422 of 422 residues in 582 ms (Link to these results)