A0A077YWA1_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YWA1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 382 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
1M42.3Very low41.8Very low239 Ų239161.2 Ų161.2100%1.17784%0.844SS**  0127.30-74.1-179.9176.100106.1
2D41.4Very low41.3Very low151 Ų151163.1 Ų163.181%0.80785%0.849SS**  trans64.281173.7-55-17.7000118.3N4D2-N4 PolarHBondContact O-N 3.13Å
3N42.8Very low41Very low161 Ų161162.8 Ų162.886%0.86184%0.841SS**  trans-69.3102.8157.1-82.1-17.5000108.8R5N3-R5 PolarHBondContact O-N 2.71Å
4N43.3Very low41.2Very low143 Ų143159.1 Ų159.177%0.76584%0.837SS**  trans-58.195166.2-81.2-24.1000110D2 H6D2-N4 PolarHBondContact O-N 3.13Å; N4-H6 PolarHBondContact O-N 3.06Å
5R45.9Very low41.1Very low231 Ų231157.8 Ų157.887%0.87283%0.831SS**  trans-76.6102.2162-75.4-177.5175.5180-1.9106.7N3 D7N3-R5 PolarHBondContact O-N 2.71Å; R5-D7 PolarHBondContact O-N 3.24Å
6H48.5Very low41.4Very low170 Ų170153.4 Ų153.479%0.78782%0.824SS**  trans-64.2115163.7-80.5-72.4000107.8N4 E8N4-H6 PolarHBondContact O-N 3.06Å; H6-E8 PolarHBondContact O-N 3.15Å
7D43.7Very low41.4Very low156 Ų156150.5 Ų150.583%0.83482%0.818SS**  trans-59103.5166.3-69.3-46.2000108.2R5R5-D7 PolarHBondContact O-N 3.24Å
8E36.8Very low41.8Very low180 Ų180146.8 Ų146.884%0.84181%0.805SS**  trans-62.5129.9165.3-81.1-175.5158.400108.2H6 A10H6-E8 PolarHBondContact O-N 3.15Å; E8-A10 PolarHBondContact O-N 3.35Å
9P36.7Very low42.5Very low117 Ų117148.4 Ų148.476%0.7681%0.806SS**  trans-61.5125.4-178.124.4-31.5000109V11P9-V11 PolarHBondContact O-N 3.01Å
10A37.6Very low43.7Very low98 Ų98146.9 Ų146.981%0.8179%0.792SS**  trans-51.9100.717400000109.6E8 M12E8-A10 PolarHBondContact O-N 3.35Å; A10-M12 PolarHBondContact O-N 3.2Å
11V40.4Very low44.5Very low127 Ų127141.6 Ų141.677%0.7776%0.763SS**  trans-58.4110.5167.8176.40000105.7P9 Q13P9-V11 PolarHBondContact O-N 3.01Å; V11-Q13 VanDerWaalsContact C-N 3.31Å; V11-Q13 PolarHBondContact O-N 3.38Å
12M36.6Very low45.9Very low184 Ų184136.8 Ų136.891%0.90673%0.732SS**  trans-55.298.5170.1-83.5-172.6132.300108A10 S14A10-M12 PolarHBondContact O-N 3.2Å; M12-S14 VanDerWaalsContact C-N 3.34Å; M12-S14 PolarHBondContact O-N 3.07Å
13Q37.1Very low46.9Very low160 Ų160129.8 Ų129.875%0.74870%0.695SS**  trans-65.297.6166.6-73.2178.1-11.800106.7V11 D15V11-Q13 VanDerWaalsContact C-N 3.31Å; V11-Q13 PolarHBondContact O-N 3.38Å; Q13-D15 PolarHBondContact O-N 3.38Å
14S43.9Very low48Very low111 Ų111123.1 Ų123.178%0.77666%0.66SS**  trans-70.583.1167.167.40000108.2M12 A16M12-S14 VanDerWaalsContact C-N 3.34Å; M12-S14 PolarHBondContact O-N 3.07Å; S14-A16 PolarHBondContact O-N 3.02Å; S14-A16 VanDerWaalsContact O-N 3.1Å
15D39.8Very low48.9Very low139 Ų139116.3 Ų116.374%0.74362%0.623SS**  trans-76.115-176.6-106.9-10.6000114.2Q13 S17Q13-D15 PolarHBondContact O-N 3.38Å; D15-S17 PolarHBondContact O-N 3.44Å
16A45Very low49.8Very low88 Ų88106.2 Ų106.273%0.72759%0.586SS**SBendtrans-78.270.9163.700000108.8S14 S18S14-A16 PolarHBondContact O-N 3.02Å; S14-A16 VanDerWaalsContact O-N 3.1Å; A16-S18 PolarHBondContact O-N 2.92Å
17S42.6Very low50.2Low103 Ų10399 Ų9972%0.7255%0.553SS**  trans-8.790.9162.753.80000112.3D15 Q19D15-S17 PolarHBondContact O-N 3.44Å; S17-Q19 PolarHBondContact O-N 3.45Å
18S48.3Very low50.4Low84 Ų8497.1 Ų97.159%0.58754%0.537SS*.  trans-62.894.7168.262.70000104.9A16 K20A16-S18 PolarHBondContact O-N 2.92Å; S18-K20 PolarHBondContact O-N 2.91Å
19Q55.7Low50.9Low177 Ų17792.5 Ų92.583%0.82754%0.538SS*.  trans-54.6102.7165.8-83.9-175.5-1300104.7S17 L21S17-Q19 PolarHBondContact O-N 3.45Å; Q19-L21 PolarHBondContact O-N 3.23Å
20K65Low51.7Low119 Ų11988.6 Ų88.652%0.51751%0.51SS..  trans-59.9113.4179.4-71-174169.9-159.50105.1S18 R22 E84S18-K20 PolarHBondContact O-N 2.91Å; K20-R22 WeakPolarHBondContact O-CG 2.9Å; K20-R22 PolarHBondContact O-N 2.81Å; K20-E84 IonicContact NZ-OE1 3.93Å; K20-E84 PolarHBondContact NZ-OE1 2.91Å
21L62Low52.3Low36 Ų3689 Ų8919%0.18851%0.514CS..  trans-66.3108.6174.6-174.680.4000106.4Q19 T49 L51 Y55 M60 T170 W174Q19-L21 PolarHBondContact O-N 3.23Å; L21-T49 HydrophobicContact CD1-CG2 4.01Å; L21-L51 HydrophobicContact CD1-CD2 3.56Å; L21-L51 HydrophobicContact CD2-CD2 3.46Å; L21-L51 VanDerWaalsContact CD2-CD2 3.46Å; L21-L51 HydrophobicContact CG-CD2 4.16Å; L21-Y55 HydrophobicContact CD2-CD1 4.49Å; L21-Y55 HydrophobicContact CD2-CE1 4.29Å; L21-M60 HydrophobicContact CD2-CE 3.73Å; L21-T170 HydrophobicContact CB-CG2 4.02Å; L21-T170 HydrophobicContact CD2-CG2 3.98Å; L21-T170 HydrophobicContact CG-CG2 4.46Å; L21-W174 HydrophobicContact CD2-CH2 4.3Å; L21-W174 HydrophobicContact CD2-CZ2 3.75Å; L21-W174 HydrophobicContact CG-CZ2 4.09Å; L21-W174 PolarHBondContact O-NE1 2.96Å
22R70.1Confident53.2Low138 Ų13886.9 Ų86.952%0.52152%0.518SS..PPolyproline II helixtrans-101.2146.1178.8-57.9-178.7-178.2-179.80.1109.4K20 P24 I86K20-R22 WeakPolarHBondContact O-CG 2.9Å; K20-R22 PolarHBondContact O-N 2.81Å; R22-P24 WeakPolarHBondContact O-CD 3.38Å; R22-I86 HydrophobicContact CB-CD1 3.82Å; R22-I86 HydrophobicContact CB-CG1 3.58Å; R22-I86 HydrophobicContact CG-CD1 4.29Å; R22-I86 HydrophobicContact CG-CG1 4.09Å
23V62.7Low54.8Low4 Ų480.3 Ų80.32%0.02449%0.488CS..EExtended strand (participates in β ladder)trans-72123.9170.3-169.60000109L25 A64 W85 I86 W174V23-L25 PolarHBondContact O-N 2.87Å; V23-A64 HydrophobicContact CG1-CB 4.47Å; V23-W85 HydrophobicContact CB-CB 4.25Å; V23-I86 PolarHBondContact O-N 3.26Å; V23-W174 HydrophobicContact CB-CD2 4.37Å; V23-W174 HydrophobicContact CG2-CB 3.66Å; V23-W174 HydrophobicContact CG2-CD2 2.92Å; V23-W174 HydrophobicContact CG2-CE3 3.21Å; V23-W174 HydrophobicContact CG2-CG 3.17Å; V23-W174 HydrophobicContact CG2-CH2 3.87Å; V23-W174 HydrophobicContact CG2-CZ2 3.67Å; V23-W174 HydrophobicContact CG2-CZ3 3.68Å
24P65.5Low56.8Low20 Ų2078.9 Ų78.913%0.1348%0.48CS..EExtended strand (participates in β ladder)trans-71.3123.5164.429.7-31.1000109.5R22 F26 S42 D45 L88R22-P24 WeakPolarHBondContact O-CD 3.38Å; P24-F26 HydrophobicContact CB-CE2 3.83Å; P24-F26 HydrophobicContact CB-CZ 4.1Å; P24-F26 HydrophobicContact CG-CE2 4.42Å; P24-S42 PolarHBondContact O-OG 2.78Å; P24-D45 HydrophobicContact CG-CB 3.59Å; P24-L88 HydrophobicContact CB-CD1 3.63Å
25L63.8Low58.5Low0 Ų074.9 Ų74.90%045%0.451CS..EExtended strand (participates in β ladder)trans-114102.6174.3-16979.1000109.3V23 L27 I38 V68 I73 W85 I86 L88 I195V23-L25 PolarHBondContact O-N 2.87Å; L25-L27 HydrophobicContact CD2-CD1 4.1Å; L25-L27 HydrophobicContact CD2-CD2 3.66Å; L25-L27 HydrophobicContact CD2-CG 3.98Å; L25-L27 HydrophobicContact CG-CD2 3.83Å; L25-L27 HydrophobicContact CG-CG 4.13Å; L25-L27 PolarHBondContact O-N 2.93Å; L25-I38 HydrophobicContact CD1-CG2 4.36Å; L25-V68 HydrophobicContact CD1-CG1 4.12Å; L25-V68 HydrophobicContact CD1-CG2 3.66Å; L25-I73 HydrophobicContact CD1-CD1 3.78Å; L25-I73 HydrophobicContact CD2-CD1 4.34Å; L25-I73 HydrophobicContact CD2-CG2 4.19Å; L25-W85 HydrophobicContact CB-CE3 4.2Å; L25-W85 HydrophobicContact CD2-CE3 3.78Å; L25-W85 HydrophobicContact CD2-CZ3 3.65Å; L25-I86 WeakPolarHBondContact CB-O 3.34Å; L25-I86 PolarHBondContact N-O 3.43Å; L25-L88 CarbonylContact O-C 3.51Å; L25-L88 PolarHBondContact O-N 3.32Å; L25-L88 VanDerWaalsContact O-O 3.06Å; L25-I195 HydrophobicContact CD2-CD1 3.27Å
26F63.4Low60.6Low20 Ų2072.2 Ų72.29%0.08843%0.434CS..EExtended strand (participates in β ladder)trans-82.7111.4179.3-66.4-69.1000111.1P24 D45 L88 P91 P92 Y95P24-F26 HydrophobicContact CB-CE2 3.83Å; P24-F26 HydrophobicContact CB-CZ 4.1Å; P24-F26 HydrophobicContact CG-CE2 4.42Å; F26-D45 WeakPolarHBondContact CD2-OD2 3.44Å; F26-D45 WeakPolarHBondContact CE2-OD2 3.38Å; F26-L88 VanDerWaalsContact CA-O 3.27Å; F26-L88 WeakPolarHBondContact CA-O 3.5Å; F26-L88 HydrophobicContact CD1-CB 3.56Å; F26-L88 HydrophobicContact CD1-CD1 4.27Å; F26-L88 HydrophobicContact CE1-CB 3.42Å; F26-L88 VanDerWaalsContact CE1-CB 3.42Å; F26-L88 HydrophobicContact CE1-CD1 3.36Å; F26-L88 HydrophobicContact CE1-CG 4.02Å; F26-L88 HydrophobicContact CE2-CD1 4.32Å; F26-L88 HydrophobicContact CG-CB 4.47Å; F26-L88 HydrophobicContact CZ-CB 4.29Å; F26-L88 HydrophobicContact CZ-CD1 3.42Å; F26-L88 VanDerWaalsContact CZ-CD1 3.42Å; F26-L88 HydrophobicContact CZ-CG 4.49Å; F26-P91 HydrophobicContact CD1-CB 4.17Å; F26-P91 HydrophobicContact CE1-CB 4.16Å; F26-P92 VanDerWaalsContact CE1-CD 3.49Å; F26-Y95 HydrophobicContact CD2-CE2 4.22Å; F26-Y95 HydrophobicContact CE1-CD2 4.45Å; F26-Y95 HydrophobicContact CE2-CD2 4.17Å; F26-Y95 AromaticContact CE2-CE2 3.56Å; F26-Y95 HydrophobicContact CE2-CE2 3.56Å; F26-Y95 AromaticContact CZ-CD2 3.87Å; F26-Y95 HydrophobicContact CZ-CD2 3.87Å; F26-Y95 AromaticContact CZ-CE2 3.75Å; F26-Y95 HydrophobicContact CZ-CE2 3.75Å
27L56.9Low62.4Low19 Ų1974.3 Ų74.310%0.09942%0.424CS..  trans-107.5-24.8-171.8-66.8-179.5000114.8L25 P87 L88 L89 I195L25-L27 HydrophobicContact CD2-CD1 4.1Å; L25-L27 HydrophobicContact CD2-CD2 3.66Å; L25-L27 HydrophobicContact CD2-CG 3.98Å; L25-L27 HydrophobicContact CG-CD2 3.83Å; L25-L27 HydrophobicContact CG-CG 4.13Å; L25-L27 PolarHBondContact O-N 2.93Å; L27-P87 HydrophobicContact CD1-CB 4.24Å; L27-L88 PolarHBondContact N-O 3.47Å; L27-L88 VanDerWaalsContact N-O 3.11Å; L27-L89 HydrophobicContact CB-CD2 4.24Å; L27-I195 HydrophobicContact CD1-CG2 3.96Å; L27-I195 HydrophobicContact CD2-CG2 3.57Å; L27-I195 HydrophobicContact CG-CG2 4.42Å
28K47.9Very low64.4Low115 Ų11569.5 Ų69.550%0.539%0.39SS..SBendtrans-106.1147.6-171-152.3170.7150.3-146.70111.6L89 D90K28-L89 WeakPolarHBondContact CA-O 3.35Å; K28-L89 HydrophobicContact CB-CB 4.41Å; K28-L89 WeakPolarHBondContact CB-O 3.49Å; K28-L89 HydrophobicContact CD-CB 4.11Å; K28-L89 PolarHBondContact N-O 3.38Å; K28-D90 WeakPolarHBondContact CD-OD1 3.43Å; K28-D90 WeakPolarHBondContact CE-OD1 3.44Å; K28-D90 IonicContact NZ-OD1 2.78Å; K28-D90 PolarHBondContact NZ-OD1 3.19Å; K28-D90 IonicContact NZ-OD2 3.1Å; K28-D90 PolarHBondContact NZ-OD2 3Å; K28-D90 VanDerWaalsContact NZ-OD2 3.1Å
29G49Very low66.3Low83 Ų8365.5 Ų65.586%0.85636%0.362SS*.SBendtrans100.3-3-171.100000114.1
30I51.6Low67.8Low35 Ų3557.8 Ų57.818%0.17933%0.326CS..  trans-12822.3-156.9-83.3177.1000111.5G32 T33 I38 V197I30-G32 PolarHBondContact O-N 2.9Å; I30-T33 WeakPolarHBondContact CA-OG1 3.41Å; I30-T33 HydrophobicContact CB-CG2 4.47Å; I30-T33 WeakPolarHBondContact CB-OG1 3.44Å; I30-T33 HydrophobicContact CG1-CG2 4.32Å; I30-T33 WeakPolarHBondContact CG1-OG1 3.37Å; I30-T33 HydrophobicContact CG2-CG2 3.71Å; I30-T33 VanDerWaalsContact CG2-OG1 3.24Å; I30-T33 WeakPolarHBondContact CG2-OG1 3.35Å; I30-T33 VanDerWaalsContact O-CB 3.27Å; I30-T33 WeakPolarHBondContact O-CB 3.49Å; I30-T33 PolarHBondContact O-N 2.89Å; I30-T33 PolarHBondContact O-OG1 3.48Å; I30-I38 HydrophobicContact CG2-CD1 3.69Å; I30-I38 HydrophobicContact CG2-CG1 3.72Å; I30-V197 HydrophobicContact CG2-CG1 4.01Å
31A51.5Low68.8Low107 Ų10755.2 Ų55.288%0.88431%0.313SS*.THydrogen-bonded Turntrans-54.9116.3169.200000110
32G59.9Low70Confident83 Ų8353.6 Ų53.686%0.85630%0.304SS*.THydrogen-bonded Turntrans91.7-1.1-175.300000115.7I30I30-G32 PolarHBondContact O-N 2.9Å
33T70.1Confident70.9Confident45 Ų4547 Ų4728%0.27628%0.28SS..  trans-79.7140.2175.1-51.40000110I30 Y37I30-T33 WeakPolarHBondContact CA-OG1 3.41Å; I30-T33 HydrophobicContact CB-CG2 4.47Å; I30-T33 WeakPolarHBondContact CB-OG1 3.44Å; I30-T33 HydrophobicContact CG1-CG2 4.32Å; I30-T33 WeakPolarHBondContact CG1-OG1 3.37Å; I30-T33 HydrophobicContact CG2-CG2 3.71Å; I30-T33 VanDerWaalsContact CG2-OG1 3.24Å; I30-T33 WeakPolarHBondContact CG2-OG1 3.35Å; I30-T33 VanDerWaalsContact O-CB 3.27Å; I30-T33 WeakPolarHBondContact O-CB 3.49Å; I30-T33 PolarHBondContact O-N 2.89Å; I30-T33 PolarHBondContact O-OG1 3.48Å; T33-Y37 HydrophobicContact CG2-CD2 4.22Å; T33-Y37 HydrophobicContact CG2-CG 4.17Å
34K79Confident72.1Confident131 Ų13146.8 Ų46.857%0.5728%0.278SS*.  trans-72.8144-177.2-49.2-178.2173.9179.50110.9E36 Y37K34-E36 WeakPolarHBondContact CB-OE2 3.5Å; K34-E36 PolarHBondContact O-N 2.88Å; K34-Y37 HydrophobicContact CB-CD2 3.94Å; K34-Y37 HydrophobicContact CB-CE2 4.41Å; K34-Y37 HydrophobicContact CD-CE2 4.32Å; K34-Y37 HydrophobicContact CG-CD2 4.35Å; K34-Y37 HydrophobicContact CG-CE2 4.4Å; K34-Y37 WeakPolarHBondContact O-CB 3.34Å; K34-Y37 PolarHBondContact O-N 2.85Å
35P79.3Confident73Confident27 Ų2746.4 Ų46.418%0.17528%0.275CS..Hα-helixtrans-50.7-32.1178-28.335.2000114Y37 I38 A39 L198P35-Y37 VanDerWaalsContact C-N 3.29Å; P35-Y37 PolarHBondContact O-N 3.35Å; P35-I38 PolarHBondContact O-N 2.79Å; P35-A39 WeakPolarHBondContact O-CB 3.41Å; P35-A39 PolarHBondContact O-N 3.41Å; P35-L198 WeakPolarHBondContact CB-O 3.47Å; P35-L198 WeakPolarHBondContact CG-O 3.48Å
36E83.3Confident74.1Confident83 Ų8346.6 Ų46.639%0.38828%0.277SS..Hα-helixtrans-64.5-30.9178.4-60.683-179.400113.5K34 F40K34-E36 WeakPolarHBondContact CB-OE2 3.5Å; K34-E36 PolarHBondContact O-N 2.88Å; E36-F40 WeakPolarHBondContact O-CB 3.39Å; E36-F40 PolarHBondContact O-N 3.45Å
37Y83.4Confident75.3Confident132 Ų13248.6 Ų48.652%0.51828%0.284SS..Hα-helixtrans-72.4-43.9175.6-75-78000110.5T33 K34 P35 A39 F40 W41T33-Y37 HydrophobicContact CG2-CD2 4.22Å; T33-Y37 HydrophobicContact CG2-CG 4.17Å; K34-Y37 HydrophobicContact CB-CD2 3.94Å; K34-Y37 HydrophobicContact CB-CE2 4.41Å; K34-Y37 HydrophobicContact CD-CE2 4.32Å; K34-Y37 HydrophobicContact CG-CD2 4.35Å; K34-Y37 HydrophobicContact CG-CE2 4.4Å; K34-Y37 WeakPolarHBondContact O-CB 3.34Å; K34-Y37 PolarHBondContact O-N 2.85Å; P35-Y37 VanDerWaalsContact C-N 3.29Å; P35-Y37 PolarHBondContact O-N 3.35Å; Y37-A39 VanDerWaalsContact C-N 3.29Å; Y37-A39 PolarHBondContact O-N 3.21Å; Y37-F40 WeakPolarHBondContact O-CB 3.29Å; Y37-F40 PolarHBondContact O-N 2.74Å; Y37-F40 VanDerWaalsContact O-N 3.1Å; Y37-W41 PolarHBondContact O-N 3.3Å
38I83.4Confident76.5Confident2 Ų252.1 Ų52.11%0.0130%0.296CS..Hα-helixtrans-59.9-45.4177-58.4168.5000109.7L25 I30 P35 F40 W41 S42 V68 V197 L198L25-I38 HydrophobicContact CD1-CG2 4.36Å; I30-I38 HydrophobicContact CG2-CD1 3.69Å; I30-I38 HydrophobicContact CG2-CG1 3.72Å; P35-I38 PolarHBondContact O-N 2.79Å; I38-F40 VanDerWaalsContact C-N 3.3Å; I38-F40 PolarHBondContact O-N 2.9Å; I38-W41 PolarHBondContact O-N 2.87Å; I38-S42 PolarHBondContact O-N 3.3Å; I38-S42 PolarHBondContact O-OG 3.34Å; I38-V68 HydrophobicContact CB-CG1 4.31Å; I38-V68 HydrophobicContact CG2-CG1 3.93Å; I38-V197 HydrophobicContact CD1-CB 3.97Å; I38-V197 HydrophobicContact CD1-CG1 3.45Å; I38-V197 VanDerWaalsContact CD1-CG1 3.45Å; I38-L198 HydrophobicContact CB-CD2 4.22Å; I38-L198 HydrophobicContact CD1-CD2 4.03Å; I38-L198 HydrophobicContact CG2-CD2 4.06Å
39A88.1Confident78.1Confident0 Ų049.5 Ų49.50%029%0.289CS..Hα-helixtrans-58-42.3174.500000112.6P35 Y37 A43 Y65 V68 K69P35-A39 WeakPolarHBondContact O-CB 3.41Å; P35-A39 PolarHBondContact O-N 3.41Å; Y37-A39 VanDerWaalsContact C-N 3.29Å; Y37-A39 PolarHBondContact O-N 3.21Å; A39-A43 WeakPolarHBondContact O-CB 3.45Å; A39-A43 PolarHBondContact O-N 3.12Å; A39-A43 VanDerWaalsContact O-N 3.09Å; A39-Y65 VanDerWaalsContact C-CD2 3.48Å; A39-Y65 HydrophobicContact CB-CD2 3.7Å; A39-Y65 HydrophobicContact CB-CE2 3.78Å; A39-Y65 HydrophobicContact CB-CG 4.24Å; A39-Y65 WeakPolarHBondContact CB-O 3.36Å; A39-Y65 WeakPolarHBondContact O-CD2 3.46Å; A39-V68 HydrophobicContact CB-CB 3.87Å; A39-V68 HydrophobicContact CB-CG1 3.82Å; A39-K69 HydrophobicContact CB-CB 3.87Å
40F88.5Confident79.2Confident15 Ų1554.4 Ų54.47%0.06629%0.287CS..Hα-helixtrans-64.3-44.6177.7-175.5-103.5000112.2E36 Y37 I38 A43 C44 Y65 E103 V106 R107 L110E36-F40 WeakPolarHBondContact O-CB 3.39Å; E36-F40 PolarHBondContact O-N 3.45Å; Y37-F40 WeakPolarHBondContact O-CB 3.29Å; Y37-F40 PolarHBondContact O-N 2.74Å; Y37-F40 VanDerWaalsContact O-N 3.1Å; I38-F40 VanDerWaalsContact C-N 3.3Å; I38-F40 PolarHBondContact O-N 2.9Å; F40-A43 WeakPolarHBondContact O-CB 3.31Å; F40-A43 PolarHBondContact O-N 2.91Å; F40-C44 PolarHBondContact O-N 2.92Å; F40-C44 PolarHBondContact O-SG 3.31Å; F40-C44 VanDerWaalsContact O-SG 3.33Å; F40-Y65 HydrophobicContact CB-CE2 4.25Å; F40-E103 HydrophobicContact CE1-CB 4.44Å; F40-E103 HydrophobicContact CE1-CG 3.98Å; F40-E103 HydrophobicContact CZ-CB 4.16Å; F40-E103 HydrophobicContact CZ-CG 4.2Å; F40-V106 HydrophobicContact CD2-CG1 4.12Å; F40-V106 HydrophobicContact CE2-CB 4.23Å; F40-V106 HydrophobicContact CE2-CG1 3.66Å; F40-V106 HydrophobicContact CZ-CB 4.48Å; F40-V106 HydrophobicContact CZ-CG1 4.3Å; F40-R107 HydrophobicContact CE2-CG 3.61Å; F40-R107 HydrophobicContact CZ-CG 3.84Å; F40-L110 HydrophobicContact CD2-CD1 3.88Å; F40-L110 HydrophobicContact CE2-CD1 4.25Å
41W86.2Confident80.4Confident65 Ų6553.3 Ų53.325%0.24628%0.282CS..Hα-helixtrans-64-45.5177.7-72.4111.5000112.1Y37 I38 A43 C44 D45 T98Y37-W41 PolarHBondContact O-N 3.3Å; I38-W41 PolarHBondContact O-N 2.87Å; W41-A43 PolarHBondContact O-N 3.38Å; W41-C44 WeakPolarHBondContact O-CA 3.37Å; W41-C44 WeakPolarHBondContact O-CB 3.45Å; W41-C44 PolarHBondContact O-N 2.96Å; W41-D45 VanDerWaalsContact O-CG 3.27Å; W41-D45 PolarHBondContact O-N 3.49Å; W41-T98 WeakPolarHBondContact CZ3-OG1 3.27Å
42S86.9Confident81.6Confident1 Ų150.9 Ų50.91%0.00726%0.257CS..Hα-helixtrans-56.9-36.4173.1-70.30000112.5P24 I38 D45 V46P24-S42 PolarHBondContact O-OG 2.78Å; I38-S42 PolarHBondContact O-N 3.3Å; I38-S42 PolarHBondContact O-OG 3.34Å; S42-D45 PolarHBondContact O-N 2.89Å; S42-V46 WeakPolarHBondContact O-CG2 3.45Å; S42-V46 PolarHBondContact O-N 3.44Å; S42-V46 VanDerWaalsContact O-N 3.11Å
43A89.4Confident82.2Confident0 Ų052.1 Ų52.10%025%0.25CC..Hα-helixtrans-67-41.7174.800000112.3A39 F40 W41 V46 Y47 T61 Y65 V106 L110A39-A43 WeakPolarHBondContact O-CB 3.45Å; A39-A43 PolarHBondContact O-N 3.12Å; A39-A43 VanDerWaalsContact O-N 3.09Å; F40-A43 WeakPolarHBondContact O-CB 3.31Å; F40-A43 PolarHBondContact O-N 2.91Å; W41-A43 PolarHBondContact O-N 3.38Å; A43-V46 PolarHBondContact O-N 3.4Å; A43-Y47 WeakPolarHBondContact O-CB 3.3Å; A43-Y47 PolarHBondContact O-N 3.22Å; A43-T61 HydrophobicContact CB-CG2 3.89Å; A43-T61 WeakPolarHBondContact CB-O 3.28Å; A43-Y65 HydrophobicContact CB-CD2 4.43Å; A43-V106 HydrophobicContact CB-CG1 3.91Å; A43-L110 HydrophobicContact CB-CD1 4.47Å
44C87.9Confident82.8Confident0 Ų054.2 Ų54.20%026%0.259CS..Hα-helixtrans-61.7-41.2173.7-67.30000112.6F40 W41 Y47 R48 T98 T102 V106F40-C44 PolarHBondContact O-N 2.92Å; F40-C44 PolarHBondContact O-SG 3.31Å; F40-C44 VanDerWaalsContact O-SG 3.33Å; W41-C44 WeakPolarHBondContact O-CA 3.37Å; W41-C44 WeakPolarHBondContact O-CB 3.45Å; W41-C44 PolarHBondContact O-N 2.96Å; C44-Y47 WeakPolarHBondContact O-CB 3.45Å; C44-Y47 PolarHBondContact O-N 2.86Å; C44-R48 WeakPolarHBondContact O-CG 3.39Å; C44-R48 PolarHBondContact O-N 3.41Å; C44-T98 HydrophobicContact CB-CG2 3.9Å; C44-T102 HydrophobicContact CB-CG2 4.47Å; C44-V106 HydrophobicContact CB-CG2 4.45Å
45D84.1Confident83Confident11 Ų1149 Ų496%0.05924%0.236CC..Hα-helixtrans-68.3-41.5179.7-61.3-42.4000111.8P24 F26 W41 S42 Y47 R48 T49 Y95P24-D45 HydrophobicContact CG-CB 3.59Å; F26-D45 WeakPolarHBondContact CD2-OD2 3.44Å; F26-D45 WeakPolarHBondContact CE2-OD2 3.38Å; W41-D45 VanDerWaalsContact O-CG 3.27Å; W41-D45 PolarHBondContact O-N 3.49Å; S42-D45 PolarHBondContact O-N 2.89Å; D45-Y47 VanDerWaalsContact C-N 3.28Å; D45-Y47 PolarHBondContact O-N 2.91Å; D45-R48 PolarHBondContact O-N 3.11Å; D45-T49 WeakPolarHBondContact O-CB 3.49Å; D45-T49 PolarHBondContact O-N 3.04Å; D45-T49 PolarHBondContact O-OG1 3.5Å; D45-Y95 WeakPolarHBondContact OD1-CE2 3.33Å; D45-Y95 PolarHBondContact OD1-OH 2.83Å
46V87.3Confident83.4Confident5 Ų548.4 Ų48.43%0.0323%0.231CC..Hα-helixtrans-63.3-37.1172.6170.90000111S42 A43 L51 Q57 M60 A64 W174S42-V46 WeakPolarHBondContact O-CG2 3.45Å; S42-V46 PolarHBondContact O-N 3.44Å; S42-V46 VanDerWaalsContact O-N 3.11Å; A43-V46 PolarHBondContact O-N 3.4Å; V46-L51 HydrophobicContact CG1-CD1 4.44Å; V46-Q57 PolarHBondContact O-NE2 3.12Å; V46-M60 HydrophobicContact CG1-CB 3.75Å; V46-A64 HydrophobicContact CB-CB 4.28Å; V46-A64 HydrophobicContact CG2-CB 3.79Å; V46-W174 HydrophobicContact CG1-CH2 4.05Å; V46-W174 HydrophobicContact CG2-CH2 3.84Å; V46-W174 HydrophobicContact CG2-CZ3 4.33Å
47Y86.7Confident83.7Confident61 Ų6146.7 Ų46.724%0.23922%0.223CC..Hα-helixtrans-63.6-41.5175.6-166.5-88.8000113A43 C44 D45 Q57 T61 T102 L105 V106A43-Y47 WeakPolarHBondContact O-CB 3.3Å; A43-Y47 PolarHBondContact O-N 3.22Å; C44-Y47 WeakPolarHBondContact O-CB 3.45Å; C44-Y47 PolarHBondContact O-N 2.86Å; D45-Y47 VanDerWaalsContact C-N 3.28Å; D45-Y47 PolarHBondContact O-N 2.91Å; Y47-Q57 VanDerWaalsContact CA-NE2 3.29Å; Y47-Q57 HydrophobicContact CD2-CG 4Å; Y47-Q57 HydrophobicContact CE2-CG 4.1Å; Y47-T61 HydrophobicContact CD2-CG2 4.46Å; Y47-T102 HydrophobicContact CD1-CG2 3.98Å; Y47-L105 HydrophobicContact CE1-CB 3.96Å; Y47-L105 HydrophobicContact CE1-CD1 3.88Å; Y47-L105 HydrophobicContact CE2-CB 4.31Å; Y47-L105 WeakPolarHBondContact OH-CD1 3.27Å; Y47-V106 HydrophobicContact CD1-CG2 4.35Å; Y47-V106 HydrophobicContact CD2-CG2 4.13Å; Y47-V106 HydrophobicContact CG-CG2 3.77Å
48R83.2Confident83.9Confident94 Ų9442.4 Ų42.436%0.35521%0.209SC..Hα-helixtrans-77.6-28.6-179.2-71.617359.5-176.70.7113.7C44 D45 F50 V96 T102C44-R48 WeakPolarHBondContact O-CG 3.39Å; C44-R48 PolarHBondContact O-N 3.41Å; D45-R48 PolarHBondContact O-N 3.11Å; R48-F50 PolarHBondContact O-N 3.44Å; R48-V96 PolarHBondContact NH1-O 3.26Å; R48-T102 HydrophobicContact CG-CG2 3.74Å
49T80.9Confident84.3Confident59 Ų5942.3 Ų42.336%0.36221%0.209SC..SBendtrans-62.4112.9174.5-57.30000106.8L21 D45 L51L21-T49 HydrophobicContact CD1-CG2 4.01Å; D45-T49 WeakPolarHBondContact O-CB 3.49Å; D45-T49 PolarHBondContact O-N 3.04Å; D45-T49 PolarHBondContact O-OG1 3.5Å; T49-L51 VanDerWaalsContact C-N 3.3Å; T49-L51 HydrophobicContact CG2-CD2 4Å; T49-L51 WeakPolarHBondContact O-CG 3.47Å; T49-L51 PolarHBondContact O-N 3.01Å
50F72.5Confident84.5Confident186 Ų18642.3 Ų42.382%0.81621%0.209SC*.  trans-60.897176-176.2-96.2000108.6R48R48-F50 PolarHBondContact O-N 3.44Å
51L76.3Confident84.7Confident13 Ų1341.6 Ų41.67%0.06821%0.206CC..  trans-76.1136.4178.9-59.5-174.2000108.3L21 V46 T49 Y55 Q57 M60L21-L51 HydrophobicContact CD1-CD2 3.56Å; L21-L51 HydrophobicContact CD2-CD2 3.46Å; L21-L51 VanDerWaalsContact CD2-CD2 3.46Å; L21-L51 HydrophobicContact CG-CD2 4.16Å; V46-L51 HydrophobicContact CG1-CD1 4.44Å; T49-L51 VanDerWaalsContact C-N 3.3Å; T49-L51 HydrophobicContact CG2-CD2 4Å; T49-L51 WeakPolarHBondContact O-CG 3.47Å; T49-L51 PolarHBondContact O-N 3.01Å; L51-Y55 HydrophobicContact CB-CD2 4.25Å; L51-Y55 HydrophobicContact CB-CG 4.32Å; L51-Q57 VanDerWaalsContact CG-OE1 3.25Å; L51-M60 HydrophobicContact CD1-CB 3.77Å; L51-M60 HydrophobicContact CD1-CG 3.86Å
52P76.4Confident84.9Confident55 Ų5538.5 Ų38.536%0.35719%0.194SC..  trans-51.1152.5170.5-27.934.3000111.4L54 Y55P52-L54 PolarHBondContact O-N 2.92Å; P52-Y55 HydrophobicContact CB-CD2 3.96Å; P52-Y55 HydrophobicContact CB-CE2 4.05Å; P52-Y55 HydrophobicContact CG-CD2 4.07Å; P52-Y55 HydrophobicContact CG-CE2 3.84Å; P52-Y55 WeakPolarHBondContact O-CD2 3.28Å; P52-Y55 PolarHBondContact O-N 2.91Å
53P74.1Confident85.2Confident109 Ų10938.5 Ų38.571%0.70819%0.194SC*.THydrogen-bonded Turntrans-55.9-12.3179.6-26.333.9000115.5Y55P53-Y55 PolarHBondContact O-N 3.5Å
54L80.9Confident85.3Confident89 Ų8938.5 Ų38.547%0.46619%0.194SC..THydrogen-bonded Turntrans-79.32.4176.2-59.2173.7000113.6P52 A163P52-L54 PolarHBondContact O-N 2.92Å; L54-A163 VanDerWaalsContact O-CA 3.32Å; L54-A163 WeakPolarHBondContact O-CA 3.48Å; L54-A163 WeakPolarHBondContact O-CB 3.41Å
55Y83.7Confident85.5Confident23 Ų2339.7 Ų39.79%0.0920%0.199CC..SBendtrans-118.9141.5176.7-62.3-87.3000111.3L21 L51 P52 P53 Q57 M60 R166 S167 T170L21-Y55 HydrophobicContact CD2-CD1 4.49Å; L21-Y55 HydrophobicContact CD2-CE1 4.29Å; L51-Y55 HydrophobicContact CB-CD2 4.25Å; L51-Y55 HydrophobicContact CB-CG 4.32Å; P52-Y55 HydrophobicContact CB-CD2 3.96Å; P52-Y55 HydrophobicContact CB-CE2 4.05Å; P52-Y55 HydrophobicContact CG-CD2 4.07Å; P52-Y55 HydrophobicContact CG-CE2 3.84Å; P52-Y55 WeakPolarHBondContact O-CD2 3.28Å; P52-Y55 PolarHBondContact O-N 2.91Å; P53-Y55 PolarHBondContact O-N 3.5Å; Y55-Q57 PolarHBondContact O-N 3.1Å; Y55-M60 HydrophobicContact CD1-CE 4.25Å; Y55-R166 HydrophobicContact CD1-CG 4.41Å; Y55-R166 HydrophobicContact CE1-CB 4.41Å; Y55-R166 HydrophobicContact CE1-CG 3.7Å; Y55-R166 PolarHBondContact OH-NE 3.18Å; Y55-S167 WeakPolarHBondContact CA-OG 3.07Å; Y55-T170 HydrophobicContact CE1-CG2 4.32Å; Y55-T170 WeakPolarHBondContact CE1-OG1 3.33Å
56D88.3Confident85.9Confident13 Ų1339.7 Ų39.77%0.0720%0.199CC..  trans-85.7105.4170.4-174-60.9000108.9D58 F59 M60 W154 C159 A163 S167D56-D58 VanDerWaalsContact C-N 3.33Å; D56-D58 PolarHBondContact O-N 2.95Å; D56-D58 PolarHBondContact OD1-N 3.05Å; D56-F59 HydrophobicContact CB-CB 3.97Å; D56-F59 PolarHBondContact O-N 3.18Å; D56-F59 WeakPolarHBondContact OD1-CB 3.33Å; D56-F59 PolarHBondContact OD1-N 3.41Å; D56-M60 WeakPolarHBondContact O-CB 3.47Å; D56-M60 WeakPolarHBondContact O-CG 3.2Å; D56-M60 PolarHBondContact O-N 3.26Å; D56-W154 HydrophobicContact CB-CH2 4.08Å; D56-W154 HydrophobicContact CB-CZ2 4.24Å; D56-C159 PolarHBondContact OD2-N 2.96Å; D56-A163 HydrophobicContact CB-CB 4.45Å; D56-S167 PolarHBondContact N-OG 3.43Å
57Q89Confident86.1Confident48 Ų4839.6 Ų39.622%0.22420%0.199CC..Hα-helixtrans-58.2-43.7-174.5-17263.664.500112.7V46 Y47 L51 Y55 M60 T61V46-Q57 PolarHBondContact O-NE2 3.12Å; Y47-Q57 VanDerWaalsContact CA-NE2 3.29Å; Y47-Q57 HydrophobicContact CD2-CG 4Å; Y47-Q57 HydrophobicContact CE2-CG 4.1Å; L51-Q57 VanDerWaalsContact CG-OE1 3.25Å; Y55-Q57 PolarHBondContact O-N 3.1Å; Q57-M60 PolarHBondContact O-N 3.34Å; Q57-T61 WeakPolarHBondContact O-CB 3.42Å; Q57-T61 PolarHBondContact O-N 2.69Å; Q57-T61 PolarHBondContact O-OG1 3.09Å; Q57-T61 VanDerWaalsContact O-OG1 3.07Å
58D89.2Confident86.3Confident42 Ų4236.7 Ų36.723%0.22519%0.187CC..Hα-helixtrans-65-44.6-178.2-90.7-14.2000111D56 C62 S109 R114D56-D58 VanDerWaalsContact C-N 3.33Å; D56-D58 PolarHBondContact O-N 2.95Å; D56-D58 PolarHBondContact OD1-N 3.05Å; D58-C62 WeakPolarHBondContact O-CB 3.35Å; D58-C62 PolarHBondContact O-N 3.39Å; D58-C62 PolarHBondContact O-SG 3.25Å; D58-S109 WeakPolarHBondContact OD1-CB 3.19Å; D58-S109 PolarHBondContact OD1-OG 3.29Å; D58-R114 VanDerWaalsContact CG-NH1 3.28Å; D58-R114 IonicContact OD1-NH1 2.86Å; D58-R114 IonicContact OD2-CZ 3.9Å; D58-R114 VanDerWaalsContact OD2-CZ 3.26Å; D58-R114 IonicContact OD2-NH1 3.34Å; D58-R114 PolarHBondContact OD2-NH1 2.89Å; D58-R114 IonicContact OD2-NH2 2.96Å; D58-R114 PolarHBondContact OD2-NH2 3.35Å
59F90.9Very high86.6Confident0 Ų035.5 Ų35.50%019%0.185CC..Hα-helixtrans-60.7-50.2173.9171.1-102.1000111.6D56 T61 C62 A63 A118 L121 W154 M158 L168 A171D56-F59 HydrophobicContact CB-CB 3.97Å; D56-F59 PolarHBondContact O-N 3.18Å; D56-F59 WeakPolarHBondContact OD1-CB 3.33Å; D56-F59 PolarHBondContact OD1-N 3.41Å; F59-T61 VanDerWaalsContact C-N 3.29Å; F59-T61 PolarHBondContact O-N 2.97Å; F59-C62 CarbonylContact O-C 3.54Å; F59-C62 PolarHBondContact O-N 2.86Å; F59-C62 VanDerWaalsContact O-N 3.09Å; F59-A63 HydrophobicContact CE1-CB 4.25Å; F59-A63 HydrophobicContact CE2-CB 4.45Å; F59-A63 HydrophobicContact CZ-CB 4.14Å; F59-A63 WeakPolarHBondContact O-CB 3.36Å; F59-A63 PolarHBondContact O-N 3.48Å; F59-A118 HydrophobicContact CD2-CB 4.27Å; F59-A118 HydrophobicContact CE2-CB 4.16Å; F59-L121 HydrophobicContact CD2-CD1 4.23Å; F59-L121 HydrophobicContact CE2-CB 4.02Å; F59-L121 HydrophobicContact CE2-CD1 3.81Å; F59-L121 HydrophobicContact CZ-CB 4.45Å; F59-W154 HydrophobicContact CB-CH2 3.94Å; F59-W154 HydrophobicContact CB-CZ3 3.93Å; F59-W154 HydrophobicContact CD1-CH2 4.18Å; F59-W154 HydrophobicContact CD1-CZ3 4.15Å; F59-W154 HydrophobicContact CD2-CE3 4.38Å; F59-W154 HydrophobicContact CD2-CH2 4.25Å; F59-W154 AromaticContact CD2-CZ3 3.48Å; F59-W154 HydrophobicContact CD2-CZ3 3.48Å; F59-W154 VanDerWaalsContact CD2-CZ3 3.48Å; F59-W154 AromaticContact CE2-CZ3 3.99Å; F59-W154 HydrophobicContact CE2-CZ3 3.99Å; F59-W154 AromaticContact CG-CH2 3.84Å; F59-W154 HydrophobicContact CG-CH2 3.84Å; F59-W154 AromaticContact CG-CZ3 3.55Å; F59-W154 HydrophobicContact CG-CZ3 3.55Å; F59-M158 HydrophobicContact CB-CE 3.62Å; F59-M158 HydrophobicContact CB-SD 3.68Å; F59-M158 HydrophobicContact CD2-CE 3.8Å; F59-M158 HydrophobicContact CD2-SD 3.77Å; F59-M158 HydrophobicContact CG-CE 4.2Å; F59-M158 HydrophobicContact CG-SD 4.12Å; F59-L168 HydrophobicContact CE1-CD2 4.25Å; F59-L168 HydrophobicContact CE2-CD2 4.12Å; F59-L168 HydrophobicContact CZ-CD2 3.66Å; F59-A171 HydrophobicContact CE1-CB 3.55Å; F59-A171 HydrophobicContact CZ-CB 3.76Å
60M92.2Very high86.9Confident0 Ų033.4 Ų33.40%017%0.172CC..Hα-helixtrans-61.3-40.5-176.5-67.8-59.5-78.200111.3L21 V46 L51 Y55 D56 Q57 A63 A64 S167 T170 A171 W174L21-M60 HydrophobicContact CD2-CE 3.73Å; V46-M60 HydrophobicContact CG1-CB 3.75Å; L51-M60 HydrophobicContact CD1-CB 3.77Å; L51-M60 HydrophobicContact CD1-CG 3.86Å; Y55-M60 HydrophobicContact CD1-CE 4.25Å; D56-M60 WeakPolarHBondContact O-CB 3.47Å; D56-M60 WeakPolarHBondContact O-CG 3.2Å; D56-M60 PolarHBondContact O-N 3.26Å; Q57-M60 PolarHBondContact O-N 3.34Å; M60-A63 PolarHBondContact O-N 3.44Å; M60-A64 WeakPolarHBondContact O-CB 3.23Å; M60-A64 PolarHBondContact O-N 3.38Å; M60-S167 VanDerWaalsContact SD-O 3.38Å; M60-T170 HydrophobicContact CE-CG2 3.56Å; M60-A171 HydrophobicContact SD-CB 4.24Å; M60-W174 HydrophobicContact CE-CE3 4.34Å; M60-W174 HydrophobicContact CE-CH2 3.19Å; M60-W174 HydrophobicContact CE-CZ2 3.45Å; M60-W174 VanDerWaalsContact CE-CZ2 3.45Å; M60-W174 HydrophobicContact CE-CZ3 3.66Å; M60-W174 HydrophobicContact SD-CH2 4.43Å; M60-W174 HydrophobicContact SD-CZ3 4.46Å
61T91.6Very high87.6Confident0 Ų024.9 Ų24.90%014%0.135CC..Hα-helixtrans-61.6-45.5172.9-68.30000111.8A43 Y47 Q57 F59 Y65 V106A43-T61 HydrophobicContact CB-CG2 3.89Å; A43-T61 WeakPolarHBondContact CB-O 3.28Å; Y47-T61 HydrophobicContact CD2-CG2 4.46Å; Q57-T61 WeakPolarHBondContact O-CB 3.42Å; Q57-T61 PolarHBondContact O-N 2.69Å; Q57-T61 PolarHBondContact O-OG1 3.09Å; Q57-T61 VanDerWaalsContact O-OG1 3.07Å; F59-T61 VanDerWaalsContact C-N 3.29Å; F59-T61 PolarHBondContact O-N 2.97Å; T61-Y65 PolarHBondContact O-N 3.32Å; T61-Y65 VanDerWaalsContact O-N 3.16Å; T61-V106 HydrophobicContact CG2-CB 4.5Å; T61-V106 HydrophobicContact CG2-CG1 3.94Å; T61-V106 HydrophobicContact CG2-CG2 4.2Å
62C91.9Very high88.3Confident0 Ų024.4 Ų24.40%013%0.133CC..Hα-helixtrans-65.3-42.4176.5-67.40000112.2D58 F59 Y65 V66 S109 L110 A118D58-C62 WeakPolarHBondContact O-CB 3.35Å; D58-C62 PolarHBondContact O-N 3.39Å; D58-C62 PolarHBondContact O-SG 3.25Å; F59-C62 CarbonylContact O-C 3.54Å; F59-C62 PolarHBondContact O-N 2.86Å; F59-C62 VanDerWaalsContact O-N 3.09Å; C62-Y65 WeakPolarHBondContact O-CB 3.33Å; C62-Y65 PolarHBondContact O-N 3.23Å; C62-V66 WeakPolarHBondContact O-CG1 3.3Å; C62-V66 WeakPolarHBondContact O-CG2 3.47Å; C62-V66 PolarHBondContact O-N 2.94Å; C62-S109 PolarHBondContact SG-O 3.03Å; C62-S109 VanDerWaalsContact SG-O 3.41Å; C62-L110 HydrophobicContact CB-CD2 4.47Å; C62-A118 HydrophobicContact CB-CB 3.7Å
63A92.8Very high89Confident0 Ų021.9 Ų21.90%012%0.117CC..Hα-helixtrans-61-48179.100000111F59 M60 Y65 V66 I67 V122 A171F59-A63 HydrophobicContact CE1-CB 4.25Å; F59-A63 HydrophobicContact CE2-CB 4.45Å; F59-A63 HydrophobicContact CZ-CB 4.14Å; F59-A63 WeakPolarHBondContact O-CB 3.36Å; F59-A63 PolarHBondContact O-N 3.48Å; M60-A63 PolarHBondContact O-N 3.44Å; A63-Y65 VanDerWaalsContact C-N 3.33Å; A63-Y65 PolarHBondContact O-N 2.84Å; A63-V66 WeakPolarHBondContact O-CG2 3.16Å; A63-V66 PolarHBondContact O-N 3.08Å; A63-I67 WeakPolarHBondContact O-CB 3.32Å; A63-I67 WeakPolarHBondContact O-CD1 3.36Å; A63-I67 WeakPolarHBondContact O-CG1 3.5Å; A63-I67 PolarHBondContact O-N 3.14Å; A63-V122 HydrophobicContact CB-CG2 4.25Å; A63-A171 HydrophobicContact CB-CB 3.74Å
64A92.2Very high89.7Confident1 Ų116.7 Ų16.71%0.0088%0.083CC..Hα-helixtrans-56.9-47.3175.400000111.6V23 V46 M60 V68 W174V23-A64 HydrophobicContact CG1-CB 4.47Å; V46-A64 HydrophobicContact CB-CB 4.28Å; V46-A64 HydrophobicContact CG2-CB 3.79Å; M60-A64 WeakPolarHBondContact O-CB 3.23Å; M60-A64 PolarHBondContact O-N 3.38Å; A64-V68 VanDerWaalsContact O-CG2 3.26Å; A64-V68 WeakPolarHBondContact O-CG2 3.41Å; A64-V68 PolarHBondContact O-N 3.06Å; A64-W174 HydrophobicContact CB-CZ3 4.1Å
65Y92Very high90.1Very high24 Ų2414.3 Ų14.39%0.0947%0.068CC..Hα-helixtrans-58.1-51.9177.5-177.2-93000112.2A39 F40 A43 T61 C62 A63 V68 K69 L110 M115A39-Y65 VanDerWaalsContact C-CD2 3.48Å; A39-Y65 HydrophobicContact CB-CD2 3.7Å; A39-Y65 HydrophobicContact CB-CE2 3.78Å; A39-Y65 HydrophobicContact CB-CG 4.24Å; A39-Y65 WeakPolarHBondContact CB-O 3.36Å; A39-Y65 WeakPolarHBondContact O-CD2 3.46Å; F40-Y65 HydrophobicContact CB-CE2 4.25Å; A43-Y65 HydrophobicContact CB-CD2 4.43Å; T61-Y65 PolarHBondContact O-N 3.32Å; T61-Y65 VanDerWaalsContact O-N 3.16Å; C62-Y65 WeakPolarHBondContact O-CB 3.33Å; C62-Y65 PolarHBondContact O-N 3.23Å; A63-Y65 VanDerWaalsContact C-N 3.33Å; A63-Y65 PolarHBondContact O-N 2.84Å; Y65-V68 PolarHBondContact O-N 3.17Å; Y65-K69 HydrophobicContact CD1-CD 4.27Å; Y65-K69 HydrophobicContact CE1-CB 4.32Å; Y65-K69 HydrophobicContact CE1-CD 3.36Å; Y65-K69 HydrophobicContact CE1-CG 4.48Å; Y65-K69 WeakPolarHBondContact O-CB 3.32Å; Y65-K69 PolarHBondContact O-N 2.97Å; Y65-K69 PolarHBondContact OH-NZ 3.25Å; Y65-K69 VanDerWaalsContact OH-NZ 3.14Å; Y65-L110 HydrophobicContact CD1-CD2 4.15Å; Y65-L110 HydrophobicContact CD2-CD1 3.55Å; Y65-L110 HydrophobicContact CD2-CD2 4.27Å; Y65-L110 HydrophobicContact CE2-CD1 3.93Å; Y65-L110 HydrophobicContact CG-CD1 3.91Å; Y65-L110 HydrophobicContact CG-CD2 3.75Å; Y65-L110 HydrophobicContact CG-CG 4.48Å; Y65-M115 HydrophobicContact CD1-CG 4.17Å; Y65-M115 HydrophobicContact CD1-SD 3.42Å; Y65-M115 WeakPolarHBondContact CD1-SD 3.34Å; Y65-M115 HydrophobicContact CE1-SD 3.23Å; Y65-M115 WeakPolarHBondContact CE1-SD 3.32Å; Y65-M115 HydrophobicContact CG-SD 4.49Å
66V91.7Very high90.3Very high12 Ų1214 Ų147%0.0737%0.068CC..Hα-helixtrans-70.8-37.2-173.6-61.20000112.6C62 A63 V68 K69 S70 M115 A118 L119C62-V66 WeakPolarHBondContact O-CG1 3.3Å; C62-V66 WeakPolarHBondContact O-CG2 3.47Å; C62-V66 PolarHBondContact O-N 2.94Å; A63-V66 WeakPolarHBondContact O-CG2 3.16Å; A63-V66 PolarHBondContact O-N 3.08Å; V66-V68 VanDerWaalsContact C-N 3.34Å; V66-V68 PolarHBondContact O-N 3.12Å; V66-K69 PolarHBondContact O-N 3.29Å; V66-S70 WeakPolarHBondContact O-CB 3.4Å; V66-S70 PolarHBondContact O-N 3.03Å; V66-S70 PolarHBondContact O-OG 2.87Å; V66-M115 HydrophobicContact CG1-CB 3.66Å; V66-M115 HydrophobicContact CG1-CG 4Å; V66-M115 WeakPolarHBondContact CG1-O 3.44Å; V66-A118 HydrophobicContact CG2-CB 4.23Å; V66-L119 HydrophobicContact CB-CB 4.39Å; V66-L119 HydrophobicContact CG2-CB 4.17Å
67I92.4Very high90.1Very high3 Ų317.3 Ų17.32%0.0159%0.086CC..Hα-helixtrans-60.6-45.6177.7-70.6168.2000110.5A63 S70 A72 I73 V122 A171 W174 A175A63-I67 WeakPolarHBondContact O-CB 3.32Å; A63-I67 WeakPolarHBondContact O-CD1 3.36Å; A63-I67 WeakPolarHBondContact O-CG1 3.5Å; A63-I67 PolarHBondContact O-N 3.14Å; I67-S70 PolarHBondContact O-OG 3.43Å; I67-A72 HydrophobicContact CG2-CB 4.25Å; I67-A72 PolarHBondContact O-N 3.03Å; I67-I73 HydrophobicContact CG2-CD1 3.88Å; I67-I73 HydrophobicContact CG2-CG1 3.5Å; I67-V122 HydrophobicContact CD1-CG1 4.15Å; I67-V122 HydrophobicContact CD1-CG2 4.01Å; I67-V122 HydrophobicContact CG1-CG1 4.02Å; I67-V122 HydrophobicContact CG1-CG2 4.24Å; I67-A171 WeakPolarHBondContact CD1-O 3.43Å; I67-W174 HydrophobicContact CD1-CB 3.94Å; I67-W174 HydrophobicContact CD1-CE3 4.37Å; I67-A175 HydrophobicContact CD1-CB 4.13Å; I67-A175 HydrophobicContact CG1-CB 4.16Å; I67-A175 HydrophobicContact CG2-CB 4.29Å
68V89.6Confident89.6Confident0 Ų021.8 Ų21.80%011%0.107CC..Hα-helixtrans-68.9-49.6178.4177.80000110.7L25 I38 A39 A64 Y65 V66 S70 S71 I73 L198L25-V68 HydrophobicContact CD1-CG1 4.12Å; L25-V68 HydrophobicContact CD1-CG2 3.66Å; I38-V68 HydrophobicContact CB-CG1 4.31Å; I38-V68 HydrophobicContact CG2-CG1 3.93Å; A39-V68 HydrophobicContact CB-CB 3.87Å; A39-V68 HydrophobicContact CB-CG1 3.82Å; A64-V68 VanDerWaalsContact O-CG2 3.26Å; A64-V68 WeakPolarHBondContact O-CG2 3.41Å; A64-V68 PolarHBondContact O-N 3.06Å; Y65-V68 PolarHBondContact O-N 3.17Å; V66-V68 VanDerWaalsContact C-N 3.34Å; V66-V68 PolarHBondContact O-N 3.12Å; V68-S70 PolarHBondContact O-N 3.18Å; V68-S71 PolarHBondContact O-N 3.43Å; V68-I73 HydrophobicContact CB-CD1 4.28Å; V68-I73 HydrophobicContact CG2-CD1 3.58Å; V68-L198 HydrophobicContact CG1-CD1 4.31Å; V68-L198 HydrophobicContact CG1-CD2 3.52Å
69K89.1Confident89.2Confident69 Ų6926.5 Ų26.530%0.313%0.132SC..Hα-helixtrans-61.1-35.1-177.3-179.2172.3-176172.40112.6A39 Y65 V66 S71 T201A39-K69 HydrophobicContact CB-CB 3.87Å; Y65-K69 HydrophobicContact CD1-CD 4.27Å; Y65-K69 HydrophobicContact CE1-CB 4.32Å; Y65-K69 HydrophobicContact CE1-CD 3.36Å; Y65-K69 HydrophobicContact CE1-CG 4.48Å; Y65-K69 WeakPolarHBondContact O-CB 3.32Å; Y65-K69 PolarHBondContact O-N 2.97Å; Y65-K69 PolarHBondContact OH-NZ 3.25Å; Y65-K69 VanDerWaalsContact OH-NZ 3.14Å; V66-K69 PolarHBondContact O-N 3.29Å; K69-S71 PolarHBondContact O-N 3.01Å; K69-T201 VanDerWaalsContact O-CB 3.25Å; K69-T201 WeakPolarHBondContact O-CB 3.18Å; K69-T201 PolarHBondContact O-OG1 2.81Å; K69-T201 VanDerWaalsContact O-OG1 3.07Å
70S87.9Confident88.9Confident14 Ų1430 Ų3010%0.09815%0.153CC..THydrogen-bonded Turntrans-85.88.1179.978.90000113.7V66 I67 V68 A72 L203V66-S70 WeakPolarHBondContact O-CB 3.4Å; V66-S70 PolarHBondContact O-N 3.03Å; V66-S70 PolarHBondContact O-OG 2.87Å; I67-S70 PolarHBondContact O-OG 3.43Å; V68-S70 PolarHBondContact O-N 3.18Å; S70-A72 PolarHBondContact O-N 2.9Å; S70-A72 WeakPolarHBondContact OG-CB 3.49Å; S70-L203 WeakPolarHBondContact OG-CD2 3.32Å
71S88.3Confident88.7Confident7 Ų732 Ų325%0.04917%0.166CC..THydrogen-bonded Turntrans51.232.3-174.6-55.50000112.9V68 K69 I73 L198 G199V68-S71 PolarHBondContact O-N 3.43Å; K69-S71 PolarHBondContact O-N 3.01Å; S71-I73 PolarHBondContact O-N 3.15Å; S71-L198 PolarHBondContact OG-O 3.34Å; S71-G199 PolarHBondContact OG-O 2.61Å
72A90.8Very high88.7Confident3 Ų332 Ų323%0.02517%0.166CC..  trans-80.835.517600000111.2I67 S70 S176 V180 L203I67-A72 HydrophobicContact CG2-CB 4.25Å; I67-A72 PolarHBondContact O-N 3.03Å; S70-A72 PolarHBondContact O-N 2.9Å; S70-A72 WeakPolarHBondContact OG-CB 3.49Å; A72-S176 WeakPolarHBondContact O-CB 3.36Å; A72-S176 PolarHBondContact O-N 3.3Å; A72-V180 HydrophobicContact CB-CG2 4.31Å; A72-L203 HydrophobicContact CB-CD1 4.46Å
73I89.7Confident88.5Confident2 Ų233.2 Ų33.21%0.0118%0.179CC..  trans-137.9131.5-179.1-51.3-176.2000106.7L25 I67 V68 S71 W85 I195 L198L25-I73 HydrophobicContact CD1-CD1 3.78Å; L25-I73 HydrophobicContact CD2-CD1 4.34Å; L25-I73 HydrophobicContact CD2-CG2 4.19Å; I67-I73 HydrophobicContact CG2-CD1 3.88Å; I67-I73 HydrophobicContact CG2-CG1 3.5Å; V68-I73 HydrophobicContact CB-CD1 4.28Å; V68-I73 HydrophobicContact CG2-CD1 3.58Å; S71-I73 PolarHBondContact O-N 3.15Å; I73-W85 HydrophobicContact CG2-CD2 3.39Å; I73-W85 HydrophobicContact CG2-CE3 3.88Å; I73-W85 HydrophobicContact CG2-CG 3.81Å; I73-W85 HydrophobicContact CG2-CH2 3.89Å; I73-W85 HydrophobicContact CG2-CZ2 3.47Å; I73-W85 VanDerWaalsContact CG2-CZ2 3.47Å; I73-W85 HydrophobicContact CG2-CZ3 4.08Å; I73-I195 HydrophobicContact CB-CD1 4.03Å; I73-I195 HydrophobicContact CG2-CD1 3.49Å; I73-I195 VanDerWaalsContact CG2-CD1 3.49Å; I73-L198 HydrophobicContact CB-CD1 4.36Å
74G88.8Confident88.3Confident0 Ų035.3 Ų35.30%019%0.189CC..EExtended strand (participates in β ladder)trans-169.2178.8178.300000111.4D82 W85 K193G74-D82 WeakPolarHBondContact O-CB 3.48Å; G74-D82 PolarHBondContact O-N 3.36Å; G74-W85 VanDerWaalsContact O-CZ2 3.32Å; G74-W85 WeakPolarHBondContact O-CZ2 3.4Å; G74-K193 VanDerWaalsContact CA-O 3.32Å; G74-K193 WeakPolarHBondContact CA-O 3.31Å
75Y89.8Confident87.8Confident40 Ų4035.7 Ų35.716%0.15719%0.19CC..EExtended strand (participates in β ladder)trans-107.5140.9-180-60.4-91.6000111.3D77 V80 P81 W85 P87 T192 K193 I195Y75-D77 VanDerWaalsContact CB-O 3.24Å; Y75-D77 WeakPolarHBondContact CB-O 3.43Å; Y75-V80 CarbonylContact C-O 3.33Å; Y75-V80 WeakPolarHBondContact CA-O 3.5Å; Y75-P81 HydrophobicContact CE1-CG 4.41Å; Y75-W85 HydrophobicContact CD1-CH2 4.14Å; Y75-W85 HydrophobicContact CD1-CZ2 4.25Å; Y75-W85 HydrophobicContact CD2-CH2 4.24Å; Y75-W85 AromaticContact CE1-CH2 3.56Å; Y75-W85 HydrophobicContact CE1-CH2 3.56Å; Y75-W85 HydrophobicContact CE1-CZ2 4.08Å; Y75-W85 HydrophobicContact CE1-CZ3 4.42Å; Y75-W85 AromaticContact CE2-CH2 3.67Å; Y75-W85 HydrophobicContact CE2-CH2 3.67Å; Y75-W85 HydrophobicContact CE2-CZ2 4.4Å; Y75-W85 HydrophobicContact CG-CH2 4.45Å; Y75-W85 HydrophobicContact CG-CZ2 4.48Å; Y75-W85 AromaticContact CZ-CH2 3.31Å; Y75-W85 WeakPolarHBondContact OH-CH2 3.48Å; Y75-P87 WeakPolarHBondContact OH-CB 3.42Å; Y75-T192 CarbonylContact O-C 3.57Å; Y75-T192 VanDerWaalsContact O-CA 3.3Å; Y75-T192 WeakPolarHBondContact O-CA 3.49Å; Y75-K193 PolarHBondContact N-O 3.14Å; Y75-K193 PolarHBondContact O-N 3.5Å; Y75-I195 HydrophobicContact CD2-CG1 4.45Å; Y75-I195 HydrophobicContact CE2-CG1 4.04Å
76I87.9Confident86.8Confident15 Ų1537.2 Ų37.28%0.07720%0.199CC..EExtended strand (participates in β ladder)trans-71.8-49.6172.4-66.5-170.6000108.8V80 D82 R190 Y271I76-V80 HydrophobicContact CB-CB 4.34Å; I76-V80 HydrophobicContact CB-CG1 4.24Å; I76-V80 PolarHBondContact N-O 2.94Å; I76-D82 HydrophobicContact CD1-CB 4.01Å; I76-D82 HydrophobicContact CG1-CB 3.54Å; I76-R190 VanDerWaalsContact C-NH2 3.28Å; I76-R190 PolarHBondContact O-NH2 3.45Å; I76-Y271 HydrophobicContact CD1-CD2 3.72Å; I76-Y271 HydrophobicContact CD1-CE2 3.16Å
77D83.9Confident85.6Confident83 Ų8338.6 Ų38.644%0.44421%0.208SC..EExtended strand (participates in β ladder)trans-135.5177.4175.1-70.1-52.4000109.4Y75 N79 V80 R190Y75-D77 VanDerWaalsContact CB-O 3.24Å; Y75-D77 WeakPolarHBondContact CB-O 3.43Å; D77-N79 PolarHBondContact O-N 3.46Å; D77-V80 HydrophobicContact CB-CB 4.4Å; D77-V80 HydrophobicContact CB-CG2 4.28Å; D77-V80 PolarHBondContact O-N 3.39Å; D77-V80 VanDerWaalsContact O-N 3.13Å; D77-R190 IonicContact OD1-NH2 3.1Å; D77-R190 PolarHBondContact OD1-NH2 2.97Å; D77-R190 IonicContact OD2-CZ 3.45Å; D77-R190 IonicContact OD2-NH1 3.73Å; D77-R190 IonicContact OD2-NH2 3.02Å; D77-R190 PolarHBondContact OD2-NH2 3.46Å
78E79.6Confident84.2Confident143 Ų14340.9 Ų40.967%0.66822%0.22SC*.THydrogen-bonded Turntrans-46.3-34.2-169.8-74-177.1175.300116K193E78-K193 IonicContact OE1-NZ 3.93Å
79N79.3Confident82.7Confident141 Ų14145.5 Ų45.575%0.75424%0.244SC*.THydrogen-bonded Turntrans-131.917.6-177-60.7-56.8000113.6D77 P81D77-N79 PolarHBondContact O-N 3.46Å; N79-P81 WeakPolarHBondContact O-CD 3.35Å
80V86.2Confident81.4Confident73 Ų7346.6 Ų46.644%0.44225%0.253SS..EExtended strand (participates in β ladder)trans-112.3102.9-177.7-176.20000109.4Y75 I76 D77 D82Y75-V80 CarbonylContact C-O 3.33Å; Y75-V80 WeakPolarHBondContact CA-O 3.5Å; I76-V80 HydrophobicContact CB-CB 4.34Å; I76-V80 HydrophobicContact CB-CG1 4.24Å; I76-V80 PolarHBondContact N-O 2.94Å; D77-V80 HydrophobicContact CB-CB 4.4Å; D77-V80 HydrophobicContact CB-CG2 4.28Å; D77-V80 PolarHBondContact O-N 3.39Å; D77-V80 VanDerWaalsContact O-N 3.13Å; V80-D82 PolarHBondContact O-N 2.95Å
81P87.9Confident79.9Confident41 Ų4148.6 Ų48.627%0.26627%0.266SS..EExtended strand (participates in β ladder)trans-54.8135.7173.9-27.936.8000111.9Y75 N79 G83 W85Y75-P81 HydrophobicContact CE1-CG 4.41Å; N79-P81 WeakPolarHBondContact O-CD 3.35Å; P81-G83 PolarHBondContact O-N 3.37Å; P81-W85 HydrophobicContact CB-CD2 4.25Å; P81-W85 HydrophobicContact CB-CZ2 3.78Å; P81-W85 HydrophobicContact CG-CZ2 4.39Å
82D90.9Very high78.5Confident0 Ų051.2 Ų51.20%028%0.283CS..EExtended strand (participates in β ladder)trans-85.398.5161.6-169.33.7000108.7G74 I76 V80 W85 S176 T177 C178 Y271G74-D82 WeakPolarHBondContact O-CB 3.48Å; G74-D82 PolarHBondContact O-N 3.36Å; I76-D82 HydrophobicContact CD1-CB 4.01Å; I76-D82 HydrophobicContact CG1-CB 3.54Å; V80-D82 PolarHBondContact O-N 2.95Å; D82-W85 PolarHBondContact O-NE1 3.37Å; D82-S176 VanDerWaalsContact CG-OG 3.25Å; D82-S176 WeakPolarHBondContact O-CA 3.47Å; D82-S176 WeakPolarHBondContact OD2-CB 3.46Å; D82-S176 PolarHBondContact OD2-OG 3.08Å; D82-T177 PolarHBondContact OD1-N 3.39Å; D82-T177 PolarHBondContact OD2-N 2.79Å; D82-C178 VanDerWaalsContact OD2-CB 3.23Å; D82-C178 WeakPolarHBondContact OD2-CB 3.33Å; D82-C178 PolarHBondContact OD2-N 3.47Å; D82-Y271 PolarHBondContact OD1-OH 3.43Å
83G88.9Confident76.8Confident26 Ų2657.6 Ų57.627%0.26832%0.324SS..SBendtrans109.1178.4-174.200000113.7P81 W85 K173P81-G83 PolarHBondContact O-N 3.37Å; G83-W85 PolarHBondContact O-N 3.43Å; G83-K173 CarbonylContact C-O 3.58Å; G83-K173 WeakPolarHBondContact CA-O 3.19Å
84E87Confident75.3Confident45 Ų4564.6 Ų64.621%0.2136%0.361CS..SBendtrans-99.661.1-175.4-62.9-165.6167.200112.4K20 K173K20-E84 IonicContact NZ-OE1 3.93Å; K20-E84 PolarHBondContact NZ-OE1 2.91Å; E84-K173 HydrophobicContact CB-CB 4.17Å; E84-K173 HydrophobicContact CG-CB 4.01Å; E84-K173 PolarHBondContact N-O 3.49Å
85W81.6Confident74Confident8 Ų867.4 Ų67.43%0.0337%0.373CS..EExtended strand (participates in β ladder)trans-119.1153.3175.256.5-87.8000110.5V23 L25 I73 G74 Y75 P81 D82 G83 P87 I195V23-W85 HydrophobicContact CB-CB 4.25Å; L25-W85 HydrophobicContact CB-CE3 4.2Å; L25-W85 HydrophobicContact CD2-CE3 3.78Å; L25-W85 HydrophobicContact CD2-CZ3 3.65Å; I73-W85 HydrophobicContact CG2-CD2 3.39Å; I73-W85 HydrophobicContact CG2-CE3 3.88Å; I73-W85 HydrophobicContact CG2-CG 3.81Å; I73-W85 HydrophobicContact CG2-CH2 3.89Å; I73-W85 HydrophobicContact CG2-CZ2 3.47Å; I73-W85 VanDerWaalsContact CG2-CZ2 3.47Å; I73-W85 HydrophobicContact CG2-CZ3 4.08Å; G74-W85 VanDerWaalsContact O-CZ2 3.32Å; G74-W85 WeakPolarHBondContact O-CZ2 3.4Å; Y75-W85 HydrophobicContact CD1-CH2 4.14Å; Y75-W85 HydrophobicContact CD1-CZ2 4.25Å; Y75-W85 HydrophobicContact CD2-CH2 4.24Å; Y75-W85 AromaticContact CE1-CH2 3.56Å; Y75-W85 HydrophobicContact CE1-CH2 3.56Å; Y75-W85 HydrophobicContact CE1-CZ2 4.08Å; Y75-W85 HydrophobicContact CE1-CZ3 4.42Å; Y75-W85 AromaticContact CE2-CH2 3.67Å; Y75-W85 HydrophobicContact CE2-CH2 3.67Å; Y75-W85 HydrophobicContact CE2-CZ2 4.4Å; Y75-W85 HydrophobicContact CG-CH2 4.45Å; Y75-W85 HydrophobicContact CG-CZ2 4.48Å; Y75-W85 AromaticContact CZ-CH2 3.31Å; Y75-W85 WeakPolarHBondContact OH-CH2 3.48Å; P81-W85 HydrophobicContact CB-CD2 4.25Å; P81-W85 HydrophobicContact CB-CZ2 3.78Å; P81-W85 HydrophobicContact CG-CZ2 4.39Å; D82-W85 PolarHBondContact O-NE1 3.37Å; G83-W85 PolarHBondContact O-N 3.43Å; W85-P87 HydrophobicContact CE3-CB 4.41Å; W85-P87 HydrophobicContact CZ3-CB 3.73Å; W85-P87 HydrophobicContact CZ3-CG 4Å; W85-I195 HydrophobicContact CH2-CD1 3.59Å; W85-I195 HydrophobicContact CH2-CG1 4.33Å; W85-I195 HydrophobicContact CZ2-CD1 4.24Å; W85-I195 HydrophobicContact CZ3-CD1 3.84Å
86I70.9Confident72.8Confident56 Ų5670 Ų7029%0.28739%0.392SS..EExtended strand (participates in β ladder)trans-106.5117.8177.6-50.3176.7000108.3R22 V23 L25 L88R22-I86 HydrophobicContact CB-CD1 3.82Å; R22-I86 HydrophobicContact CB-CG1 3.58Å; R22-I86 HydrophobicContact CG-CD1 4.29Å; R22-I86 HydrophobicContact CG-CG1 4.09Å; V23-I86 PolarHBondContact O-N 3.26Å; L25-I86 WeakPolarHBondContact CB-O 3.34Å; L25-I86 PolarHBondContact N-O 3.43Å; I86-L88 VanDerWaalsContact C-N 3.32Å; I86-L88 HydrophobicContact CB-CG 4.33Å; I86-L88 HydrophobicContact CG2-CD2 3.69Å; I86-L88 HydrophobicContact CG2-CG 3.9Å; I86-L88 PolarHBondContact O-N 3.14Å
87P67.3Low71.9Confident41 Ų4177 Ų7727%0.26643%0.425SS..EExtended strand (participates in β ladder)trans-66.497.116224.9-27.5000108L27 Y75 W85 L89L27-P87 HydrophobicContact CD1-CB 4.24Å; Y75-P87 WeakPolarHBondContact OH-CB 3.42Å; W85-P87 HydrophobicContact CE3-CB 4.41Å; W85-P87 HydrophobicContact CZ3-CB 3.73Å; W85-P87 HydrophobicContact CZ3-CG 4Å; P87-L89 PolarHBondContact O-N 2.92Å
88L63.8Low71.4Confident51 Ų5173.6 Ų73.627%0.26741%0.407SS..EExtended strand (participates in β ladder)trans-85.993.9165.7-67176.4000105.7P24 L25 F26 L27 I86P24-L88 HydrophobicContact CB-CD1 3.63Å; L25-L88 CarbonylContact O-C 3.51Å; L25-L88 PolarHBondContact O-N 3.32Å; L25-L88 VanDerWaalsContact O-O 3.06Å; F26-L88 VanDerWaalsContact CA-O 3.27Å; F26-L88 WeakPolarHBondContact CA-O 3.5Å; F26-L88 HydrophobicContact CD1-CB 3.56Å; F26-L88 HydrophobicContact CD1-CD1 4.27Å; F26-L88 HydrophobicContact CE1-CB 3.42Å; F26-L88 VanDerWaalsContact CE1-CB 3.42Å; F26-L88 HydrophobicContact CE1-CD1 3.36Å; F26-L88 HydrophobicContact CE1-CG 4.02Å; F26-L88 HydrophobicContact CE2-CD1 4.32Å; F26-L88 HydrophobicContact CG-CB 4.47Å; F26-L88 HydrophobicContact CZ-CB 4.29Å; F26-L88 HydrophobicContact CZ-CD1 3.42Å; F26-L88 VanDerWaalsContact CZ-CD1 3.42Å; F26-L88 HydrophobicContact CZ-CG 4.49Å; L27-L88 PolarHBondContact N-O 3.47Å; L27-L88 VanDerWaalsContact N-O 3.11Å; I86-L88 VanDerWaalsContact C-N 3.32Å; I86-L88 HydrophobicContact CB-CG 4.33Å; I86-L88 HydrophobicContact CG2-CD2 3.69Å; I86-L88 HydrophobicContact CG2-CG 3.9Å; I86-L88 PolarHBondContact O-N 3.14Å
89L58.4Low71.7Confident97 Ų9770.2 Ų70.251%0.50839%0.393SS..SBendtrans-58.1-56.1173.8-70.8170.6000108L27 K28 P87L27-L89 HydrophobicContact CB-CD2 4.24Å; K28-L89 WeakPolarHBondContact CA-O 3.35Å; K28-L89 HydrophobicContact CB-CB 4.41Å; K28-L89 WeakPolarHBondContact CB-O 3.49Å; K28-L89 HydrophobicContact CD-CB 4.11Å; K28-L89 PolarHBondContact N-O 3.38Å; P87-L89 PolarHBondContact O-N 2.92Å
90D60Low72.1Confident92 Ų9271.6 Ų71.649%0.49239%0.393SS..SBendtrans-97.3135.9176.8-59.2-56.6000110.6K28K28-D90 WeakPolarHBondContact CD-OD1 3.43Å; K28-D90 WeakPolarHBondContact CE-OD1 3.44Å; K28-D90 IonicContact NZ-OD1 2.78Å; K28-D90 PolarHBondContact NZ-OD1 3.19Å; K28-D90 IonicContact NZ-OD2 3.1Å; K28-D90 PolarHBondContact NZ-OD2 3Å; K28-D90 VanDerWaalsContact NZ-OD2 3.1Å
91P58Low72.3Confident57 Ų5774.6 Ų74.637%0.3740%0.402SS..PPolyproline II helixtrans-53.2139.5162.821.6-28.4000108.9F26 Y95F26-P91 HydrophobicContact CD1-CB 4.17Å; F26-P91 HydrophobicContact CE1-CB 4.16Å; P91-Y95 HydrophobicContact CB-CD1 4.04Å; P91-Y95 HydrophobicContact CB-CD2 4.23Å; P91-Y95 HydrophobicContact CB-CG 3.68Å
92P57.3Low72.3Confident62 Ų6273.3 Ų73.340%0.40339%0.393SS..PPolyproline II helixtrans-53.1149.2175.521.2-31.3000109.3F26 N94 Y95F26-P92 VanDerWaalsContact CE1-CD 3.49Å; P92-N94 PolarHBondContact O-N 3.38Å; P92-Y95 HydrophobicContact CG-CD2 4.3Å; P92-Y95 VanDerWaalsContact O-CB 3.23Å; P92-Y95 WeakPolarHBondContact O-CB 3.4Å; P92-Y95 PolarHBondContact O-N 3.18Å
93P55.5Low72.3Confident137 Ų13775.6 Ų75.689%0.8940%0.404SS*.THydrogen-bonded Turntrans-52.9-23.5-176.4-26.932.9000114.5
94N58.9Low72.5Confident148 Ų14879.8 Ų79.879%0.79142%0.417SS*.THydrogen-bonded Turntrans-103.821.2178.9-56.7-24.9000112.8P92 V96P92-N94 PolarHBondContact O-N 3.38Å; N94-V96 PolarHBondContact O-N 2.83Å
95Y61.7Low72.7Confident60 Ų6080.3 Ų80.324%0.23542%0.42CS..  trans-66104175.5-171.2-96.7000108.8F26 D45 P91 P92 E97F26-Y95 HydrophobicContact CD2-CE2 4.22Å; F26-Y95 HydrophobicContact CE1-CD2 4.45Å; F26-Y95 HydrophobicContact CE2-CD2 4.17Å; F26-Y95 AromaticContact CE2-CE2 3.56Å; F26-Y95 HydrophobicContact CE2-CE2 3.56Å; F26-Y95 AromaticContact CZ-CD2 3.87Å; F26-Y95 HydrophobicContact CZ-CD2 3.87Å; F26-Y95 AromaticContact CZ-CE2 3.75Å; F26-Y95 HydrophobicContact CZ-CE2 3.75Å; D45-Y95 WeakPolarHBondContact OD1-CE2 3.33Å; D45-Y95 PolarHBondContact OD1-OH 2.83Å; P91-Y95 HydrophobicContact CB-CD1 4.04Å; P91-Y95 HydrophobicContact CB-CD2 4.23Å; P91-Y95 HydrophobicContact CB-CG 3.68Å; P92-Y95 HydrophobicContact CG-CD2 4.3Å; P92-Y95 VanDerWaalsContact O-CB 3.23Å; P92-Y95 WeakPolarHBondContact O-CB 3.4Å; P92-Y95 PolarHBondContact O-N 3.18Å; Y95-E97 PolarHBondContact O-N 3.39Å
96V64Low73.2Confident94 Ų9479.9 Ų79.957%0.5742%0.419SS*.PPolyproline II helixtrans-74.7124.5172.8-172.20000106.6R48 N94 T98R48-V96 PolarHBondContact NH1-O 3.26Å; N94-V96 PolarHBondContact O-N 2.83Å; V96-T98 PolarHBondContact O-N 3.19Å
97E69.8Low74.2Confident163 Ų16383.9 Ų83.976%0.76243%0.43SS*.PPolyproline II helixtrans-48137167.5-78.8-175.5164.500109.3Y95 D99Y95-E97 PolarHBondContact O-N 3.39Å; E97-D99 PolarHBondContact O-N 3.26Å
98T73.1Confident75.3Confident10 Ų1088.8 Ų88.86%0.06145%0.447CS..PPolyproline II helixtrans-57.7126.9-178.1-59.60000109.2W41 C44 V96 T102 E103W41-T98 WeakPolarHBondContact CZ3-OG1 3.27Å; C44-T98 HydrophobicContact CB-CG2 3.9Å; V96-T98 PolarHBondContact O-N 3.19Å; T98-T102 HydrophobicContact CG2-CG2 3.38Å; T98-E103 HydrophobicContact CG2-CG 3.83Å
99D85.3Confident76.5Confident72 Ų7286.7 Ų86.739%0.38544%0.437SS..PPolyproline II helixtrans-68.5156.3177.267.779.2000110.5E97 E101 T102 E103E97-D99 PolarHBondContact O-N 3.26Å; D99-E101 PolarHBondContact O-N 3.07Å; D99-E101 VanDerWaalsContact O-N 3.15Å; D99-E101 WeakPolarHBondContact OD1-CA 3.37Å; D99-E101 WeakPolarHBondContact OD1-CB 3.38Å; D99-E101 PolarHBondContact OD1-N 3.3Å; D99-T102 PolarHBondContact O-N 3.31Å; D99-T102 PolarHBondContact OD1-N 2.8Å; D99-T102 PolarHBondContact OD1-OG1 3.47Å; D99-T102 PolarHBondContact OD2-OG1 2.88Å; D99-E103 PolarHBondContact O-N 3.18Å; D99-E103 VanDerWaalsContact O-N 3.09Å
100K88Confident78.1Confident171 Ų17183.2 Ų83.274%0.74342%0.419SS*.Hα-helixtrans-61.3-25.6-177.3-71-177.1178.1177.50113.2Q104K100-Q104 VanDerWaalsContact O-CG 3.22Å; K100-Q104 WeakPolarHBondContact O-CG 3.44Å; K100-Q104 PolarHBondContact O-N 2.73Å
101E90.4Very high79.5Confident136 Ų13681.8 Ų81.864%0.63641%0.414SS*.Hα-helixtrans-73.6-48.6179.8-178.1179.5-177.500110.3D99 E103 Q104 L105D99-E101 PolarHBondContact O-N 3.07Å; D99-E101 VanDerWaalsContact O-N 3.15Å; D99-E101 WeakPolarHBondContact OD1-CA 3.37Å; D99-E101 WeakPolarHBondContact OD1-CB 3.38Å; D99-E101 PolarHBondContact OD1-N 3.3Å; E101-E103 VanDerWaalsContact C-N 3.33Å; E101-E103 PolarHBondContact O-N 2.93Å; E101-Q104 WeakPolarHBondContact O-CB 3.38Å; E101-Q104 PolarHBondContact O-N 3.36Å; E101-Q104 VanDerWaalsContact O-N 3.1Å; E101-L105 HydrophobicContact CG-CD1 4.2Å; E101-L105 WeakPolarHBondContact O-CG 3.2Å; E101-L105 PolarHBondContact O-N 3Å
102T88.4Confident80.9Confident14 Ų1487.3 Ų87.39%0.08643%0.432CS..Hα-helixtrans-55.8-47.1173-650000111.1C44 Y47 R48 T98 D99 Q104 L105 V106C44-T102 HydrophobicContact CB-CG2 4.47Å; Y47-T102 HydrophobicContact CD1-CG2 3.98Å; R48-T102 HydrophobicContact CG-CG2 3.74Å; T98-T102 HydrophobicContact CG2-CG2 3.38Å; D99-T102 PolarHBondContact O-N 3.31Å; D99-T102 PolarHBondContact OD1-N 2.8Å; D99-T102 PolarHBondContact OD1-OG1 3.47Å; D99-T102 PolarHBondContact OD2-OG1 2.88Å; T102-Q104 VanDerWaalsContact C-N 3.29Å; T102-Q104 PolarHBondContact O-N 2.75Å; T102-L105 PolarHBondContact O-N 2.98Å; T102-V106 HydrophobicContact CG2-CG2 4.33Å; T102-V106 WeakPolarHBondContact O-CG2 3.45Å; T102-V106 PolarHBondContact O-N 3.08Å
103E89.8Confident82.3Confident48 Ų4888.6 Ų88.622%0.22443%0.432CS..Hα-helixtrans-57.4-42.6176.7-75.9-161.6-153.800112.4F40 T98 D99 E101 R107F40-E103 HydrophobicContact CE1-CB 4.44Å; F40-E103 HydrophobicContact CE1-CG 3.98Å; F40-E103 HydrophobicContact CZ-CB 4.16Å; F40-E103 HydrophobicContact CZ-CG 4.2Å; T98-E103 HydrophobicContact CG2-CG 3.83Å; D99-E103 PolarHBondContact O-N 3.18Å; D99-E103 VanDerWaalsContact O-N 3.09Å; E101-E103 VanDerWaalsContact C-N 3.33Å; E101-E103 PolarHBondContact O-N 2.93Å; E103-R107 WeakPolarHBondContact O-CB 3.39Å; E103-R107 WeakPolarHBondContact O-CG 3.21Å; E103-R107 PolarHBondContact O-N 3.35Å; E103-R107 IonicContact OE2-NE 3.26Å; E103-R107 IonicContact OE2-NH2 2.97Å; E103-R107 PolarHBondContact OE2-NH2 2.99Å
104Q92.9Very high83.8Confident114 Ų11484.3 Ų84.353%0.53340%0.399SS..Hα-helixtrans-65.9-39.9178.7-75.8174.419.700111.9K100 E101 T102 R107 K108K100-Q104 VanDerWaalsContact O-CG 3.22Å; K100-Q104 WeakPolarHBondContact O-CG 3.44Å; K100-Q104 PolarHBondContact O-N 2.73Å; E101-Q104 WeakPolarHBondContact O-CB 3.38Å; E101-Q104 PolarHBondContact O-N 3.36Å; E101-Q104 VanDerWaalsContact O-N 3.1Å; T102-Q104 VanDerWaalsContact C-N 3.29Å; T102-Q104 PolarHBondContact O-N 2.75Å; Q104-R107 PolarHBondContact O-N 2.79Å; Q104-K108 VanDerWaalsContact O-CG 3.29Å; Q104-K108 WeakPolarHBondContact O-CG 3.08Å; Q104-K108 PolarHBondContact O-N 3.45Å
105L91.5Very high85.3Confident55 Ų5579.1 Ų79.129%0.28837%0.37SS..Hα-helixtrans-64.9-47.1177.4-68.2167.7000110.9Y47 E101 T102 R107 K108 S109Y47-L105 HydrophobicContact CE1-CB 3.96Å; Y47-L105 HydrophobicContact CE1-CD1 3.88Å; Y47-L105 HydrophobicContact CE2-CB 4.31Å; Y47-L105 WeakPolarHBondContact OH-CD1 3.27Å; E101-L105 HydrophobicContact CG-CD1 4.2Å; E101-L105 WeakPolarHBondContact O-CG 3.2Å; E101-L105 PolarHBondContact O-N 3Å; T102-L105 PolarHBondContact O-N 2.98Å; L105-R107 PolarHBondContact O-N 3.16Å; L105-K108 WeakPolarHBondContact O-CB 3.29Å; L105-K108 PolarHBondContact O-N 3.38Å; L105-K108 VanDerWaalsContact O-N 3.1Å; L105-S109 PolarHBondContact O-N 3.26Å; L105-S109 PolarHBondContact O-OG 3.11Å
106V91.7Very high86.5Confident0 Ų081.3 Ų81.30%038%0.382CS..Hα-helixtrans-60.2-44.9175.8173.70000111.3F40 A43 C44 Y47 T61 T102 K108 S109 L110F40-V106 HydrophobicContact CD2-CG1 4.12Å; F40-V106 HydrophobicContact CE2-CB 4.23Å; F40-V106 HydrophobicContact CE2-CG1 3.66Å; F40-V106 HydrophobicContact CZ-CB 4.48Å; F40-V106 HydrophobicContact CZ-CG1 4.3Å; A43-V106 HydrophobicContact CB-CG1 3.91Å; C44-V106 HydrophobicContact CB-CG2 4.45Å; Y47-V106 HydrophobicContact CD1-CG2 4.35Å; Y47-V106 HydrophobicContact CD2-CG2 4.13Å; Y47-V106 HydrophobicContact CG-CG2 3.77Å; T61-V106 HydrophobicContact CG2-CB 4.5Å; T61-V106 HydrophobicContact CG2-CG1 3.94Å; T61-V106 HydrophobicContact CG2-CG2 4.2Å; T102-V106 HydrophobicContact CG2-CG2 4.33Å; T102-V106 WeakPolarHBondContact O-CG2 3.45Å; T102-V106 PolarHBondContact O-N 3.08Å; V106-K108 VanDerWaalsContact C-N 3.26Å; V106-K108 PolarHBondContact O-N 3.07Å; V106-S109 PolarHBondContact O-N 3.45Å; V106-L110 HydrophobicContact CG1-CD1 3.71Å; V106-L110 HydrophobicContact CG1-CG 4.07Å; V106-L110 VanDerWaalsContact O-CG 3.31Å; V106-L110 WeakPolarHBondContact O-CG 3.16Å; V106-L110 PolarHBondContact O-N 3.17Å
107R93.3Very high87.6Confident140 Ų14077.2 Ų77.253%0.52836%0.357SS..Hα-helixtrans-59.8-36.6176.1-73.6176-165.2-71.8-2.9112.5F40 E103 Q104 L105 S109F40-R107 HydrophobicContact CE2-CG 3.61Å; F40-R107 HydrophobicContact CZ-CG 3.84Å; E103-R107 WeakPolarHBondContact O-CB 3.39Å; E103-R107 WeakPolarHBondContact O-CG 3.21Å; E103-R107 PolarHBondContact O-N 3.35Å; E103-R107 IonicContact OE2-NE 3.26Å; E103-R107 IonicContact OE2-NH2 2.97Å; E103-R107 PolarHBondContact OE2-NH2 2.99Å; Q104-R107 PolarHBondContact O-N 2.79Å; L105-R107 PolarHBondContact O-N 3.16Å; R107-S109 VanDerWaalsContact C-N 3.35Å
108K90.7Very high88.6Confident143 Ų14369.5 Ų69.562%0.62232%0.321SS*.Hα-helixtrans-67-36.5173.9-73170.8-177.3176.60111.6Q104 L105 V106 T111Q104-K108 VanDerWaalsContact O-CG 3.29Å; Q104-K108 WeakPolarHBondContact O-CG 3.08Å; Q104-K108 PolarHBondContact O-N 3.45Å; L105-K108 WeakPolarHBondContact O-CB 3.29Å; L105-K108 PolarHBondContact O-N 3.38Å; L105-K108 VanDerWaalsContact O-N 3.1Å; V106-K108 VanDerWaalsContact C-N 3.26Å; V106-K108 PolarHBondContact O-N 3.07Å; K108-T111 WeakPolarHBondContact O-CG2 3.29Å
109S88.1Confident89.5Confident7 Ų770.8 Ų70.85%0.04933%0.327CS..Hα-helixtrans-72.2-35.3177.8-57.30000112.8D58 C62 L105 V106 R107 T111 R114D58-S109 WeakPolarHBondContact OD1-CB 3.19Å; D58-S109 PolarHBondContact OD1-OG 3.29Å; C62-S109 PolarHBondContact SG-O 3.03Å; C62-S109 VanDerWaalsContact SG-O 3.41Å; L105-S109 PolarHBondContact O-N 3.26Å; L105-S109 PolarHBondContact O-OG 3.11Å; V106-S109 PolarHBondContact O-N 3.45Å; R107-S109 VanDerWaalsContact C-N 3.35Å; S109-T111 PolarHBondContact O-N 3.49Å; S109-R114 WeakPolarHBondContact O-CD 3.5Å
110L91.3Very high89.7Confident24 Ų2468.8 Ų68.813%0.12632%0.318CS..  trans-78.952.4-177.8-64.1179.5000114.3F40 A43 C62 Y65 V106 M115F40-L110 HydrophobicContact CD2-CD1 3.88Å; F40-L110 HydrophobicContact CE2-CD1 4.25Å; A43-L110 HydrophobicContact CB-CD1 4.47Å; C62-L110 HydrophobicContact CB-CD2 4.47Å; Y65-L110 HydrophobicContact CD1-CD2 4.15Å; Y65-L110 HydrophobicContact CD2-CD1 3.55Å; Y65-L110 HydrophobicContact CD2-CD2 4.27Å; Y65-L110 HydrophobicContact CE2-CD1 3.93Å; Y65-L110 HydrophobicContact CG-CD1 3.91Å; Y65-L110 HydrophobicContact CG-CD2 3.75Å; Y65-L110 HydrophobicContact CG-CG 4.48Å; V106-L110 HydrophobicContact CG1-CD1 3.71Å; V106-L110 HydrophobicContact CG1-CG 4.07Å; V106-L110 VanDerWaalsContact O-CG 3.31Å; V106-L110 WeakPolarHBondContact O-CG 3.16Å; V106-L110 PolarHBondContact O-N 3.17Å; L110-M115 HydrophobicContact CB-SD 4.3Å; L110-M115 HydrophobicContact CD2-CG 4.2Å; L110-M115 HydrophobicContact CD2-SD 4.42Å
111T89.5Confident89.9Confident63 Ų6360.8 Ų60.839%0.38728%0.283SS..  trans-71.2152.4169.570.90000110.9K108 S109 Q113 R114 M115K108-T111 WeakPolarHBondContact O-CG2 3.29Å; S109-T111 PolarHBondContact O-N 3.49Å; T111-Q113 PolarHBondContact O-N 3.04Å; T111-R114 PolarHBondContact O-N 3.03Å; T111-R114 WeakPolarHBondContact OG1-CB 3.49Å; T111-R114 WeakPolarHBondContact OG1-CG 3.43Å; T111-R114 PolarHBondContact OG1-N 3.12Å; T111-M115 WeakPolarHBondContact O-CG 3.38Å; T111-M115 PolarHBondContact O-N 2.94Å
112K87.8Confident90.1Very high172 Ų17254.5 Ų54.575%0.74825%0.254SS*.Hα-helixtrans-50.8-45.6177.2-176.3-178.3176.9-175.70112.2Q116K112-Q116 PolarHBondContact O-N 2.9Å
113Q86.1Confident90.4Very high89 Ų8953.9 Ų53.942%0.41625%0.25SS..Hα-helixtrans-63.9-50.8-179.2-175.557.547.600111.6T111 M115 Q116 D117T111-Q113 PolarHBondContact O-N 3.04Å; Q113-M115 VanDerWaalsContact C-N 3.3Å; Q113-M115 PolarHBondContact O-N 2.97Å; Q113-Q116 WeakPolarHBondContact O-CB 3.36Å; Q113-Q116 PolarHBondContact O-N 3.02Å; Q113-Q116 VanDerWaalsContact O-N 3.07Å; Q113-D117 WeakPolarHBondContact CG-OD2 3.45Å; Q113-D117 VanDerWaalsContact NE2-CG 3.32Å; Q113-D117 PolarHBondContact NE2-OD1 3.48Å; Q113-D117 PolarHBondContact NE2-OD2 2.73Å; Q113-D117 PolarHBondContact O-N 2.79Å; Q113-D117 VanDerWaalsContact O-OD2 3.13Å
114R88Confident90.6Very high48 Ų4851.7 Ų51.718%0.18124%0.24CC..Hα-helixtrans-61.3-37.9-179.9-74.5177.3165.2-161.1-12.5112.9D58 S109 T111 D117 A118 S157D58-R114 VanDerWaalsContact CG-NH1 3.28Å; D58-R114 IonicContact OD1-NH1 2.86Å; D58-R114 IonicContact OD2-CZ 3.9Å; D58-R114 VanDerWaalsContact OD2-CZ 3.26Å; D58-R114 IonicContact OD2-NH1 3.34Å; D58-R114 PolarHBondContact OD2-NH1 2.89Å; D58-R114 IonicContact OD2-NH2 2.96Å; D58-R114 PolarHBondContact OD2-NH2 3.35Å; S109-R114 WeakPolarHBondContact O-CD 3.5Å; T111-R114 PolarHBondContact O-N 3.03Å; T111-R114 WeakPolarHBondContact OG1-CB 3.49Å; T111-R114 WeakPolarHBondContact OG1-CG 3.43Å; T111-R114 PolarHBondContact OG1-N 3.12Å; R114-D117 PolarHBondContact O-N 3.01Å; R114-A118 VanDerWaalsContact O-CB 3.29Å; R114-A118 WeakPolarHBondContact O-CB 3.37Å; R114-A118 PolarHBondContact O-N 3.42Å; R114-S157 PolarHBondContact NH2-O 2.84Å
115M89.3Confident90.7Very high38 Ų3846.3 Ų46.319%0.18722%0.215CC..Hα-helixtrans-64-44173.9-70.8-174.4-68.200111.5Y65 V66 L110 T111 Q113 A118 L119Y65-M115 HydrophobicContact CD1-CG 4.17Å; Y65-M115 HydrophobicContact CD1-SD 3.42Å; Y65-M115 WeakPolarHBondContact CD1-SD 3.34Å; Y65-M115 HydrophobicContact CE1-SD 3.23Å; Y65-M115 WeakPolarHBondContact CE1-SD 3.32Å; Y65-M115 HydrophobicContact CG-SD 4.49Å; V66-M115 HydrophobicContact CG1-CB 3.66Å; V66-M115 HydrophobicContact CG1-CG 4Å; V66-M115 WeakPolarHBondContact CG1-O 3.44Å; L110-M115 HydrophobicContact CB-SD 4.3Å; L110-M115 HydrophobicContact CD2-CG 4.2Å; L110-M115 HydrophobicContact CD2-SD 4.42Å; T111-M115 WeakPolarHBondContact O-CG 3.38Å; T111-M115 PolarHBondContact O-N 2.94Å; Q113-M115 VanDerWaalsContact C-N 3.3Å; Q113-M115 PolarHBondContact O-N 2.97Å; M115-A118 PolarHBondContact O-N 2.82Å; M115-L119 WeakPolarHBondContact O-CB 3.44Å; M115-L119 PolarHBondContact O-N 3.3Å
116Q87.5Confident90.9Very high106 Ų10643.7 Ų43.750%0.49520%0.201SC..Hα-helixtrans-62.3-44.3176.7-175.5173-6.900111.5K112 Q113 L119 V120K112-Q116 PolarHBondContact O-N 2.9Å; Q113-Q116 WeakPolarHBondContact O-CB 3.36Å; Q113-Q116 PolarHBondContact O-N 3.02Å; Q113-Q116 VanDerWaalsContact O-N 3.07Å; Q116-L119 PolarHBondContact O-N 3.28Å; Q116-V120 VanDerWaalsContact O-CG2 3.29Å; Q116-V120 WeakPolarHBondContact O-CG2 3.31Å; Q116-V120 PolarHBondContact O-N 2.96Å
117D87.3Confident91.1Very high9 Ų943.7 Ų43.75%0.04820%0.201CC..Hα-helixtrans-63.3-45.3177.3-65.5-39.8000111.7Q113 R114 L119 V120 L121 V153Q113-D117 WeakPolarHBondContact CG-OD2 3.45Å; Q113-D117 VanDerWaalsContact NE2-CG 3.32Å; Q113-D117 PolarHBondContact NE2-OD1 3.48Å; Q113-D117 PolarHBondContact NE2-OD2 2.73Å; Q113-D117 PolarHBondContact O-N 2.79Å; Q113-D117 VanDerWaalsContact O-OD2 3.13Å; R114-D117 PolarHBondContact O-N 3.01Å; D117-L119 VanDerWaalsContact C-N 3.29Å; D117-L119 PolarHBondContact O-N 3.48Å; D117-V120 PolarHBondContact O-N 3.33Å; D117-L121 WeakPolarHBondContact O-CB 3.37Å; D117-L121 WeakPolarHBondContact O-CD1 3.44Å; D117-L121 VanDerWaalsContact O-CG 3.27Å; D117-L121 WeakPolarHBondContact O-CG 3.22Å; D117-L121 PolarHBondContact O-N 3.31Å; D117-V153 WeakPolarHBondContact OD2-CB 3.5Å
118A90.8Very high91.2Very high0 Ų037.1 Ų37.10%018%0.177CC..Hα-helixtrans-60-41.6176.800000111.6F59 C62 V66 R114 M115 L121 V122F59-A118 HydrophobicContact CD2-CB 4.27Å; F59-A118 HydrophobicContact CE2-CB 4.16Å; C62-A118 HydrophobicContact CB-CB 3.7Å; V66-A118 HydrophobicContact CG2-CB 4.23Å; R114-A118 VanDerWaalsContact O-CB 3.29Å; R114-A118 WeakPolarHBondContact O-CB 3.37Å; R114-A118 PolarHBondContact O-N 3.42Å; M115-A118 PolarHBondContact O-N 2.82Å; A118-L121 PolarHBondContact O-N 3.33Å; A118-V122 VanDerWaalsContact O-CG2 3.28Å; A118-V122 WeakPolarHBondContact O-CG2 3.37Å; A118-V122 PolarHBondContact O-N 2.97Å
119L91.4Very high91.4Very high37 Ų3731.3 Ų31.319%0.19415%0.151CC..Hα-helixtrans-63.6-48.6177.4177.861.1000111.7V66 M115 Q116 D117 L121 V122 I123 L203V66-L119 HydrophobicContact CB-CB 4.39Å; V66-L119 HydrophobicContact CG2-CB 4.17Å; M115-L119 WeakPolarHBondContact O-CB 3.44Å; M115-L119 PolarHBondContact O-N 3.3Å; Q116-L119 PolarHBondContact O-N 3.28Å; D117-L119 VanDerWaalsContact C-N 3.29Å; D117-L119 PolarHBondContact O-N 3.48Å; L119-L121 VanDerWaalsContact C-N 3.26Å; L119-L121 PolarHBondContact O-N 3.21Å; L119-V122 PolarHBondContact O-N 3.46Å; L119-I123 HydrophobicContact CD1-CD1 3.85Å; L119-I123 HydrophobicContact CD1-CG1 4.21Å; L119-I123 HydrophobicContact CG-CD1 3.78Å; L119-I123 WeakPolarHBondContact O-CD1 3.22Å; L119-I123 VanDerWaalsContact O-CG1 3.27Å; L119-I123 WeakPolarHBondContact O-CG1 3.23Å; L119-I123 PolarHBondContact O-N 3.27Å; L119-L203 HydrophobicContact CD1-CD2 3.45Å; L119-L203 VanDerWaalsContact CD1-CD2 3.45Å; L119-L203 HydrophobicContact CD2-CD2 3.92Å; L119-L203 HydrophobicContact CG-CD2 4.27Å
120V91.1Very high91.8Very high31 Ų3131 Ų3119%0.18815%0.149CC..Hα-helixtrans-54.5-45176.8162.90000110.7Q116 D117 I123 A124 V148 T152 F209Q116-V120 VanDerWaalsContact O-CG2 3.29Å; Q116-V120 WeakPolarHBondContact O-CG2 3.31Å; Q116-V120 PolarHBondContact O-N 2.96Å; D117-V120 PolarHBondContact O-N 3.33Å; V120-I123 PolarHBondContact O-N 2.93Å; V120-A124 WeakPolarHBondContact O-CB 3.04Å; V120-A124 PolarHBondContact O-N 2.99Å; V120-V148 HydrophobicContact CG1-CG1 4.15Å; V120-T152 HydrophobicContact CG1-CG2 3.55Å; V120-F209 HydrophobicContact CB-CE2 4.5Å; V120-F209 HydrophobicContact CB-CZ 4.02Å; V120-F209 HydrophobicContact CG1-CE2 4.43Å; V120-F209 HydrophobicContact CG1-CZ 3.72Å; V120-F209 HydrophobicContact CG2-CE2 4.14Å; V120-F209 HydrophobicContact CG2-CZ 4.16Å; V120-F209 WeakPolarHBondContact O-CZ 3.37Å
121L92.3Very high91.9Very high3 Ų334.6 Ų34.62%0.01616%0.161CC..Hα-helixtrans-68.3-43.2-179.6-71.8167.1000112.7F59 D117 A118 L119 I123 A124 T125 V148 L149 W154 L168F59-L121 HydrophobicContact CD2-CD1 4.23Å; F59-L121 HydrophobicContact CE2-CB 4.02Å; F59-L121 HydrophobicContact CE2-CD1 3.81Å; F59-L121 HydrophobicContact CZ-CB 4.45Å; D117-L121 WeakPolarHBondContact O-CB 3.37Å; D117-L121 WeakPolarHBondContact O-CD1 3.44Å; D117-L121 VanDerWaalsContact O-CG 3.27Å; D117-L121 WeakPolarHBondContact O-CG 3.22Å; D117-L121 PolarHBondContact O-N 3.31Å; A118-L121 PolarHBondContact O-N 3.33Å; L119-L121 VanDerWaalsContact C-N 3.26Å; L119-L121 PolarHBondContact O-N 3.21Å; L121-I123 VanDerWaalsContact C-N 3.33Å; L121-I123 PolarHBondContact O-N 3.34Å; L121-A124 WeakPolarHBondContact O-CB 3.09Å; L121-A124 PolarHBondContact O-N 2.96Å; L121-T125 VanDerWaalsContact O-CG2 3.26Å; L121-T125 WeakPolarHBondContact O-CG2 3.39Å; L121-T125 PolarHBondContact O-N 3.37Å; L121-V148 HydrophobicContact CD2-CG1 4.08Å; L121-L149 HydrophobicContact CD1-CD2 4.49Å; L121-L149 HydrophobicContact CD2-CD2 3.69Å; L121-L149 HydrophobicContact CD2-CG 4.09Å; L121-W154 HydrophobicContact CD1-CE3 3.5Å; L121-W154 VanDerWaalsContact CD1-CE3 3.5Å; L121-W154 HydrophobicContact CD1-CZ3 3.94Å; L121-L168 HydrophobicContact CB-CD2 3.66Å; L121-L168 HydrophobicContact CD1-CD2 4.15Å; L121-L168 HydrophobicContact CD2-CD2 4Å; L121-L168 HydrophobicContact CG-CD2 4.15Å
122V93.8Very high92Very high3 Ų334.5 Ų34.52%0.01816%0.16CC..Hα-helixtrans-59-45.9174.6168.40000110.7A63 I67 A118 L119 A124 T125 K126 A171 A175A63-V122 HydrophobicContact CB-CG2 4.25Å; I67-V122 HydrophobicContact CD1-CG1 4.15Å; I67-V122 HydrophobicContact CD1-CG2 4.01Å; I67-V122 HydrophobicContact CG1-CG1 4.02Å; I67-V122 HydrophobicContact CG1-CG2 4.24Å; A118-V122 VanDerWaalsContact O-CG2 3.28Å; A118-V122 WeakPolarHBondContact O-CG2 3.37Å; A118-V122 PolarHBondContact O-N 2.97Å; L119-V122 PolarHBondContact O-N 3.46Å; V122-A124 VanDerWaalsContact C-N 3.34Å; V122-A124 PolarHBondContact O-N 3.05Å; V122-T125 PolarHBondContact O-N 3.34Å; V122-T125 PolarHBondContact O-OG1 2.99Å; V122-K126 PolarHBondContact O-N 3.42Å; V122-A171 HydrophobicContact CG2-CB 4.17Å; V122-A175 HydrophobicContact CG1-CB 3.57Å
123I93.8Very high92.2Very high2 Ų228.8 Ų28.81%0.0114%0.139CC..Hα-helixtrans-62.8-43.6176.9-64.6159000110.7L119 V120 L121 T125 K126 V127 V180 L184 L205 F209L119-I123 HydrophobicContact CD1-CD1 3.85Å; L119-I123 HydrophobicContact CD1-CG1 4.21Å; L119-I123 HydrophobicContact CG-CD1 3.78Å; L119-I123 WeakPolarHBondContact O-CD1 3.22Å; L119-I123 VanDerWaalsContact O-CG1 3.27Å; L119-I123 WeakPolarHBondContact O-CG1 3.23Å; L119-I123 PolarHBondContact O-N 3.27Å; V120-I123 PolarHBondContact O-N 2.93Å; L121-I123 VanDerWaalsContact C-N 3.33Å; L121-I123 PolarHBondContact O-N 3.34Å; I123-T125 PolarHBondContact O-N 3.09Å; I123-K126 WeakPolarHBondContact O-CA 3.39Å; I123-K126 WeakPolarHBondContact O-CB 3.49Å; I123-K126 PolarHBondContact O-N 2.8Å; I123-V127 HydrophobicContact CG2-CG2 4.26Å; I123-V127 WeakPolarHBondContact O-CG2 3.27Å; I123-V127 PolarHBondContact O-N 3.33Å; I123-V180 HydrophobicContact CG1-CG1 4.39Å; I123-V180 HydrophobicContact CG2-CG1 4.36Å; I123-L184 HydrophobicContact CG2-CD1 4.05Å; I123-L184 HydrophobicContact CG2-CD2 4.21Å; I123-L205 HydrophobicContact CD1-CD1 4.32Å; I123-L205 HydrophobicContact CD1-CD2 3.21Å; I123-L205 HydrophobicContact CD1-CG 4.36Å; I123-L205 HydrophobicContact CG1-CD2 4.36Å; I123-F209 HydrophobicContact CB-CD1 4.34Å; I123-F209 HydrophobicContact CB-CE1 3.97Å; I123-F209 HydrophobicContact CB-CZ 4.07Å; I123-F209 HydrophobicContact CD1-CE2 4.31Å; I123-F209 HydrophobicContact CG2-CB 4.35Å; I123-F209 HydrophobicContact CG2-CD1 3.48Å; I123-F209 VanDerWaalsContact CG2-CD1 3.48Å; I123-F209 HydrophobicContact CG2-CD2 4.24Å; I123-F209 HydrophobicContact CG2-CE1 3.62Å; I123-F209 HydrophobicContact CG2-CE2 4.36Å; I123-F209 HydrophobicContact CG2-CG 3.78Å; I123-F209 HydrophobicContact CG2-CZ 4.04Å
124A93.8Very high92.4Very high1 Ų128 Ų281%0.00814%0.136CC..Hα-helixtrans-56.9-37.5177.100000111.7V120 L121 V122 K126 V127 N128 Y144 I145 V148 F209V120-A124 WeakPolarHBondContact O-CB 3.04Å; V120-A124 PolarHBondContact O-N 2.99Å; L121-A124 WeakPolarHBondContact O-CB 3.09Å; L121-A124 PolarHBondContact O-N 2.96Å; V122-A124 VanDerWaalsContact C-N 3.34Å; V122-A124 PolarHBondContact O-N 3.05Å; A124-K126 VanDerWaalsContact C-N 3.29Å; A124-K126 PolarHBondContact O-N 2.94Å; A124-V127 PolarHBondContact O-N 3.03Å; A124-N128 WeakPolarHBondContact O-CB 3.3Å; A124-N128 PolarHBondContact O-N 3.4Å; A124-Y144 HydrophobicContact CB-CE1 4.08Å; A124-Y144 WeakPolarHBondContact O-CE1 3.43Å; A124-I145 HydrophobicContact CB-CD1 4.08Å; A124-V148 HydrophobicContact CB-CB 4.28Å; A124-V148 HydrophobicContact CB-CG1 3.83Å; A124-V148 HydrophobicContact CB-CG2 4.12Å; A124-F209 HydrophobicContact CB-CE1 4.32Å
125T95.5Very high92.6Very high1 Ų126.7 Ų26.71%0.00613%0.132CC..Hα-helixtrans-64.6-31.2174.773.70000113.8L121 V122 I123 W129 H135 V136 I145 L168 G172L121-T125 VanDerWaalsContact O-CG2 3.26Å; L121-T125 WeakPolarHBondContact O-CG2 3.39Å; L121-T125 PolarHBondContact O-N 3.37Å; V122-T125 PolarHBondContact O-N 3.34Å; V122-T125 PolarHBondContact O-OG1 2.99Å; I123-T125 PolarHBondContact O-N 3.09Å; T125-W129 WeakPolarHBondContact O-CB 3.2Å; T125-W129 PolarHBondContact O-N 3.31Å; T125-H135 WeakPolarHBondContact CA-O 3.3Å; T125-H135 WeakPolarHBondContact CB-O 3.32Å; T125-H135 PolarHBondContact O-ND1 3.46Å; T125-V136 HydrophobicContact CG2-CG1 4.19Å; T125-I145 HydrophobicContact CG2-CD1 4.45Å; T125-L168 HydrophobicContact CG2-CB 4.28Å; T125-G172 WeakPolarHBondContact OG1-CA 3.31Å
126K96.2Very high92.6Very high1 Ų125.1 Ų25.10%0.00412%0.124CC..Hα-helixtrans-77.5-37.1176.4-62.6-51.5-165.8177.90111.9V122 I123 A124 N128 W129 W130 H135 G172 A175 T177 V180V122-K126 PolarHBondContact O-N 3.42Å; I123-K126 WeakPolarHBondContact O-CA 3.39Å; I123-K126 WeakPolarHBondContact O-CB 3.49Å; I123-K126 PolarHBondContact O-N 2.8Å; A124-K126 VanDerWaalsContact C-N 3.29Å; A124-K126 PolarHBondContact O-N 2.94Å; K126-N128 VanDerWaalsContact C-N 3.34Å; K126-W129 PolarHBondContact O-N 2.82Å; K126-W130 WeakPolarHBondContact O-CB 3.35Å; K126-W130 PolarHBondContact O-N 3.45Å; K126-H135 PolarHBondContact NZ-CE1 3.39Å; K126-H135 VanDerWaalsContact NZ-CE1 3.26Å; K126-G172 WeakPolarHBondContact CE-O 3.46Å; K126-G172 PolarHBondContact NZ-O 3.06Å; K126-A175 WeakPolarHBondContact CE-O 3.39Å; K126-A175 PolarHBondContact NZ-O 3.05Å; K126-T177 HydrophobicContact CD-CG2 4.37Å; K126-T177 PolarHBondContact NZ-OG1 2.78Å; K126-V180 HydrophobicContact CB-CB 4.26Å; K126-V180 HydrophobicContact CB-CG1 3.69Å; K126-V180 HydrophobicContact CG-CB 3.99Å; K126-V180 HydrophobicContact CG-CG1 3.81Å; K126-V180 HydrophobicContact CG-CG2 4.23Å
127V94.9Very high92.5Very high0 Ų020.7 Ų20.70%011%0.107CC..Hα-helixtrans-63-41.9170.4172.20000110.9I123 A124 W130 R131 Y144 L184 F209 P212 V213I123-V127 HydrophobicContact CG2-CG2 4.26Å; I123-V127 WeakPolarHBondContact O-CG2 3.27Å; I123-V127 PolarHBondContact O-N 3.33Å; A124-V127 PolarHBondContact O-N 3.03Å; V127-W130 WeakPolarHBondContact O-CB 3.46Å; V127-W130 PolarHBondContact O-N 2.8Å; V127-R131 WeakPolarHBondContact O-CG 3.4Å; V127-R131 PolarHBondContact O-N 2.83Å; V127-Y144 HydrophobicContact CB-CE1 3.98Å; V127-Y144 HydrophobicContact CG1-CE1 3.7Å; V127-Y144 HydrophobicContact CG1-CE2 4.48Å; V127-Y144 WeakPolarHBondContact CG1-OH 3.48Å; V127-L184 HydrophobicContact CG2-CD1 3.81Å; V127-F209 HydrophobicContact CG2-CD1 4.27Å; V127-P212 HydrophobicContact CG1-CB 3.3Å; V127-P212 HydrophobicContact CG1-CG 4.34Å; V127-V213 HydrophobicContact CG2-CG1 4.07Å
128N95.4Very high92.2Very high2 Ų227.2 Ų27.21%0.01114%0.142CC..Hα-helixtrans-65.9-41.6176.9-16673.9000111.5A124 K126 W130 R131 T132 E134 H135 S142 Y144 I145A124-N128 WeakPolarHBondContact O-CB 3.3Å; A124-N128 PolarHBondContact O-N 3.4Å; K126-N128 VanDerWaalsContact C-N 3.34Å; N128-W130 VanDerWaalsContact C-N 3.32Å; N128-W130 PolarHBondContact O-N 3.35Å; N128-R131 PolarHBondContact O-N 3.22Å; N128-R131 VanDerWaalsContact O-N 3.07Å; N128-T132 PolarHBondContact ND2-OG1 2.78Å; N128-T132 PolarHBondContact O-N 3.25Å; N128-T132 PolarHBondContact O-OG1 3.28Å; N128-E134 CarbonylContact C-O 3.09Å; N128-E134 PolarHBondContact ND2-O 2.88Å; N128-H135 WeakPolarHBondContact CB-O 3.35Å; N128-S142 WeakPolarHBondContact OD1-CB 3.37Å; N128-S142 PolarHBondContact OD1-OG 3.13Å; N128-Y144 HydrophobicContact CB-CD1 4.04Å; N128-Y144 HydrophobicContact CB-CE1 4.43Å; N128-I145 HydrophobicContact CB-CD1 3.81Å; N128-I145 HydrophobicContact CB-CG1 3.81Å
129W96.2Very high91.4Very high20 Ų2031.1 Ų31.18%0.07618%0.183CC..Hα-helixtrans-59.7-43.6174.6-177.793.5000111.5T125 K126 R131 T132 T133 E134 H135 T177 L181 H266 M268 Y271 L272T125-W129 WeakPolarHBondContact O-CB 3.2Å; T125-W129 PolarHBondContact O-N 3.31Å; K126-W129 PolarHBondContact O-N 2.82Å; W129-R131 PolarHBondContact O-N 3.03Å; W129-T132 PolarHBondContact O-N 3.31Å; W129-T133 PolarHBondContact NE1-O 2.94Å; W129-T133 VanDerWaalsContact O-CA 3.24Å; W129-T133 WeakPolarHBondContact O-CA 3.45Å; W129-T133 PolarHBondContact O-N 2.87Å; W129-E134 WeakPolarHBondContact CA-O 3.32Å; W129-E134 PolarHBondContact N-O 3.37Å; W129-H135 AromaticContact CD1-CE1 3.57Å; W129-H135 AromaticContact CD1-ND1 3.93Å; W129-H135 AromaticContact CD1-NE2 3.76Å; W129-H135 AromaticContact CG-CE1 3.72Å; W129-H135 AromaticContact CG-ND1 3.98Å; W129-T177 HydrophobicContact CD2-CG2 4.14Å; W129-T177 HydrophobicContact CE3-CG2 3.59Å; W129-T177 HydrophobicContact CH2-CG2 4.14Å; W129-T177 HydrophobicContact CZ3-CG2 3.61Å; W129-L181 HydrophobicContact CE3-CD1 4.42Å; W129-L181 HydrophobicContact CZ3-CD1 4.18Å; W129-H266 AromaticContact CE3-CE1 3.97Å; W129-H266 AromaticContact CH2-CE1 3.48Å; W129-H266 VanDerWaalsContact CH2-CE1 3.48Å; W129-H266 WeakPolarHBondContact CH2-CE1 3.42Å; W129-H266 AromaticContact CZ3-CE1 3.39Å; W129-H266 WeakPolarHBondContact CZ3-CE1 3.29Å; W129-H266 AromaticContact CZ3-NE2 3.71Å; W129-M268 HydrophobicContact CH2-CB 3.57Å; W129-M268 HydrophobicContact CH2-CG 4.07Å; W129-M268 HydrophobicContact CZ2-CB 3.69Å; W129-M268 HydrophobicContact CZ2-CG 3.67Å; W129-Y271 AromaticContact CH2-CD1 3.91Å; W129-Y271 HydrophobicContact CH2-CD1 3.91Å; W129-Y271 AromaticContact CH2-CE1 3.88Å; W129-Y271 HydrophobicContact CH2-CE1 3.88Å; W129-Y271 HydrophobicContact CZ2-CD1 4.27Å; W129-Y271 HydrophobicContact CZ2-CE1 4.18Å; W129-L272 HydrophobicContact CH2-CD1 4.16Å; W129-L272 HydrophobicContact CH2-CD2 3.92Å; W129-L272 HydrophobicContact CH2-CG 4.07Å; W129-L272 HydrophobicContact CZ3-CD1 3.99Å; W129-L272 HydrophobicContact CZ3-CD2 3.88Å; W129-L272 HydrophobicContact CZ3-CG 4.25Å
130W95.8Very high91Very high0 Ų033.2 Ų33.20%020%0.199CC..Hα-helixtrans-57.4-32.5175168.6-107.6000113.2K126 V127 N128 L181 L186 V213 P217 A218 R262 V263 H266 L272K126-W130 WeakPolarHBondContact O-CB 3.35Å; K126-W130 PolarHBondContact O-N 3.45Å; V127-W130 WeakPolarHBondContact O-CB 3.46Å; V127-W130 PolarHBondContact O-N 2.8Å; N128-W130 VanDerWaalsContact C-N 3.32Å; N128-W130 PolarHBondContact O-N 3.35Å; W130-L181 HydrophobicContact CB-CD2 4.09Å; W130-L181 HydrophobicContact CE3-CD1 3.98Å; W130-L186 HydrophobicContact CD2-CD1 3.84Å; W130-L186 HydrophobicContact CE3-CD1 3.96Å; W130-L186 HydrophobicContact CG-CD1 4.43Å; W130-L186 HydrophobicContact CH2-CD1 4.03Å; W130-L186 HydrophobicContact CH2-CD2 4.35Å; W130-L186 HydrophobicContact CZ2-CD1 3.94Å; W130-L186 HydrophobicContact CZ2-CD2 3.96Å; W130-L186 HydrophobicContact CZ3-CD1 4.06Å; W130-V213 PolarHBondContact NE1-O 2.85Å; W130-P217 HydrophobicContact CD2-CB 4.49Å; W130-P217 HydrophobicContact CH2-CB 3.76Å; W130-P217 HydrophobicContact CZ2-CB 3.71Å; W130-P217 HydrophobicContact CZ3-CB 4.16Å; W130-P217 CarbonylContact O-C 3.58Å; W130-A218 PolarHBondContact O-N 3.23Å; W130-R262 HydrophobicContact CH2-CB 3.78Å; W130-R262 HydrophobicContact CZ2-CB 3.65Å; W130-V263 HydrophobicContact CH2-CB 4.41Å; W130-V263 HydrophobicContact CH2-CG2 3.88Å; W130-V263 HydrophobicContact CZ3-CG2 4.13Å; W130-H266 AromaticContact CE3-CD2 3.32Å; W130-H266 AromaticContact CE3-NE2 3.9Å; W130-H266 HydrophobicContact CZ3-CB 3.94Å; W130-H266 AromaticContact CZ3-CD2 3.57Å; W130-H266 AromaticContact CZ3-CG 3.94Å; W130-H266 PolarHBondContact O-CD2 2.93Å; W130-H266 VanDerWaalsContact O-CD2 3.23Å; W130-H266 PolarHBondContact O-NE2 3.13Å; W130-H266 VanDerWaalsContact O-NE2 3.14Å; W130-L272 HydrophobicContact CE3-CD1 4.31Å; W130-L272 HydrophobicContact CZ3-CD1 3.93Å
131R93.3Very high90.9Very high101 Ų10133.1 Ų33.138%0.38120%0.198SC..Hα-helixtrans-88.9-30.6-177.3-68.7177.564.1-165.2-0.2113.4V127 N128 W129 S215 A218V127-R131 WeakPolarHBondContact O-CG 3.4Å; V127-R131 PolarHBondContact O-N 2.83Å; N128-R131 PolarHBondContact O-N 3.22Å; N128-R131 VanDerWaalsContact O-N 3.07Å; W129-R131 PolarHBondContact O-N 3.03Å; R131-S215 WeakPolarHBondContact CG-OG 3.35Å; R131-A218 WeakPolarHBondContact O-CA 3.38Å
132T91.9Very high90.9Very high60 Ų6033.7 Ų33.737%0.36820%0.202SC..Hα-helixtrans-136.71.1-163.366.10000115N128 W129 E134N128-T132 PolarHBondContact ND2-OG1 2.78Å; N128-T132 PolarHBondContact O-N 3.25Å; N128-T132 PolarHBondContact O-OG1 3.28Å; W129-T132 PolarHBondContact O-N 3.31Å; T132-E134 PolarHBondContact O-N 3.42Å; T132-E134 PolarHBondContact OG1-N 3.2Å; T132-E134 PolarHBondContact OG1-O 3.03Å
133T91.3Very high90.7Very high52 Ų5237.9 Ų37.932%0.31923%0.229SC..SBendtrans59.5-5.4-165.248.10000116.7W129 A218 T267 M268W129-T133 PolarHBondContact NE1-O 2.94Å; W129-T133 VanDerWaalsContact O-CA 3.24Å; W129-T133 WeakPolarHBondContact O-CA 3.45Å; W129-T133 PolarHBondContact O-N 2.87Å; T133-A218 HydrophobicContact CG2-CB 3.78Å; T133-T267 WeakPolarHBondContact CG2-OG1 3.46Å; T133-M268 HydrophobicContact CG2-CG 4.14Å
134E91.9Very high90.5Very high74 Ų7439.5 Ų39.535%0.34624%0.235SC..  trans-103.8137.9178.4-63.9-57.2149.700111.2N128 W129 T132N128-E134 CarbonylContact C-O 3.09Å; N128-E134 PolarHBondContact ND2-O 2.88Å; W129-E134 WeakPolarHBondContact CA-O 3.32Å; W129-E134 PolarHBondContact N-O 3.37Å; T132-E134 PolarHBondContact O-N 3.42Å; T132-E134 PolarHBondContact OG1-N 3.2Å; T132-E134 PolarHBondContact OG1-O 3.03Å
135H91.7Very high90.4Very high20 Ų2039.6 Ų39.69%0.09324%0.236CC..SBendtrans-68.4-37.9176.8-80.4-54.5000112.6T125 K126 N128 W129 E169T125-H135 WeakPolarHBondContact CA-O 3.3Å; T125-H135 WeakPolarHBondContact CB-O 3.32Å; T125-H135 PolarHBondContact O-ND1 3.46Å; K126-H135 PolarHBondContact NZ-CE1 3.39Å; K126-H135 VanDerWaalsContact NZ-CE1 3.26Å; N128-H135 WeakPolarHBondContact CB-O 3.35Å; W129-H135 AromaticContact CD1-CE1 3.57Å; W129-H135 AromaticContact CD1-ND1 3.93Å; W129-H135 AromaticContact CD1-NE2 3.76Å; W129-H135 AromaticContact CG-CE1 3.72Å; W129-H135 AromaticContact CG-ND1 3.98Å; H135-E169 HydrophobicContact CB-CG 4.45Å
136V89.8Confident90.2Very high4 Ų445.1 Ų45.12%0.02426%0.256CS..SBendtrans-127.8-29.9179.2-61.80000113.3T125 L141 S142 L168 E169T125-V136 HydrophobicContact CG2-CG1 4.19Å; V136-L141 HydrophobicContact CB-CD2 4.28Å; V136-S142 WeakPolarHBondContact O-CB 3.08Å; V136-S142 PolarHBondContact O-N 3.32Å; V136-L168 HydrophobicContact CG1-CB 3.55Å; V136-L168 HydrophobicContact CG1-CD1 4.49Å; V136-E169 HydrophobicContact CG1-CB 4.11Å; V136-E169 HydrophobicContact CG2-CB 3.77Å; V136-E169 HydrophobicContact CG2-CG 4.08Å
137G85.1Confident89.8Confident14 Ų1450 Ų5014%0.14428%0.283CS..  trans134165.8-173.900000110.5G139 C140G137-G139 PolarHBondContact O-N 3.17Å; G137-C140 CarbonylContact C-O 3.6Å; G137-C140 VanDerWaalsContact CA-O 3.29Å; G137-C140 WeakPolarHBondContact CA-O 3.46Å
138D80.1Confident89.5Confident145 Ų14551.3 Ų51.378%0.77529%0.29SS*.SBendtrans-87103.6-180-174.615.7000110.1C140D138-C140 PolarHBondContact O-N 3.27Å
139G74.8Confident89.1Confident83 Ų8351.7 Ų51.786%0.85629%0.292SS*.SBendtrans69.6-13-178.700000116.1G137G137-G139 PolarHBondContact O-N 3.17Å
140C82.6Confident88.6Confident80 Ų8054.8 Ų54.854%0.54131%0.31SS..SBendtrans-144.1155.6179.465.40000112.1G137 D138 S142G137-C140 CarbonylContact C-O 3.6Å; G137-C140 VanDerWaalsContact CA-O 3.29Å; G137-C140 WeakPolarHBondContact CA-O 3.46Å; D138-C140 PolarHBondContact O-N 3.27Å; C140-S142 PolarHBondContact O-N 2.91Å
141L89.9Confident87.8Confident29 Ų2958.3 Ų58.315%0.15235%0.347CS..  trans-67.9126.8176.6-61.1174.6000110.4V136 I145 R146 L149 P165 L168V136-L141 HydrophobicContact CB-CD2 4.28Å; L141-I145 HydrophobicContact CD2-CG2 3.83Å; L141-R146 HydrophobicContact CB-CB 4.49Å; L141-R146 PolarHBondContact O-NH2 3.1Å; L141-L149 HydrophobicContact CD1-CD1 3.46Å; L141-L149 VanDerWaalsContact CD1-CD1 3.46Å; L141-L149 HydrophobicContact CD2-CD1 4.25Å; L141-L149 HydrophobicContact CG-CD1 4.45Å; L141-P165 HydrophobicContact CD1-CG 4.41Å; L141-P165 HydrophobicContact CD2-CB 3.85Å; L141-P165 HydrophobicContact CD2-CG 3.9Å; L141-P165 HydrophobicContact CG-CB 4.38Å; L141-P165 HydrophobicContact CG-CG 3.98Å; L141-L168 HydrophobicContact CD2-CD1 4.32Å
142S91Very high86.7Confident16 Ų1654.5 Ų54.511%0.11234%0.335CS..  trans-57.2154.6170.184.50000110.7N128 V136 C140 Y144 I145 R146N128-S142 WeakPolarHBondContact OD1-CB 3.37Å; N128-S142 PolarHBondContact OD1-OG 3.13Å; V136-S142 WeakPolarHBondContact O-CB 3.08Å; V136-S142 PolarHBondContact O-N 3.32Å; C140-S142 PolarHBondContact O-N 2.91Å; S142-Y144 PolarHBondContact O-N 3.32Å; S142-I145 PolarHBondContact O-N 2.84Å; S142-I145 WeakPolarHBondContact OG-CG1 3.46Å; S142-I145 PolarHBondContact OG-N 3.37Å; S142-I145 VanDerWaalsContact OG-N 3.16Å; S142-R146 WeakPolarHBondContact O-CB 3.36Å; S142-R146 PolarHBondContact O-N 3.4Å
143P89.8Confident85Confident90 Ų9053.1 Ų53.158%0.58433%0.326SS*.Hα-helixtrans-53.3-43.5175.8-27.435.5000112.5R146 D147P143-R146 WeakPolarHBondContact O-CB 3.23Å; P143-R146 PolarHBondContact O-N 3.01Å; P143-D147 WeakPolarHBondContact O-CB 3.45Å; P143-D147 PolarHBondContact O-N 2.79Å
144Y90.3Very high83.5Confident37 Ų3750.9 Ų50.915%0.14531%0.312CS..Hα-helixtrans-61.8-48179.1171.7-107.5000112.6A124 V127 N128 S142 R146 D147 V148 P212A124-Y144 HydrophobicContact CB-CE1 4.08Å; A124-Y144 WeakPolarHBondContact O-CE1 3.43Å; V127-Y144 HydrophobicContact CB-CE1 3.98Å; V127-Y144 HydrophobicContact CG1-CE1 3.7Å; V127-Y144 HydrophobicContact CG1-CE2 4.48Å; V127-Y144 WeakPolarHBondContact CG1-OH 3.48Å; N128-Y144 HydrophobicContact CB-CD1 4.04Å; N128-Y144 HydrophobicContact CB-CE1 4.43Å; S142-Y144 PolarHBondContact O-N 3.32Å; Y144-R146 VanDerWaalsContact C-N 3.29Å; Y144-R146 PolarHBondContact O-N 2.87Å; Y144-D147 PolarHBondContact O-N 3.37Å; Y144-V148 HydrophobicContact CD2-CG2 4.26Å; Y144-V148 HydrophobicContact CE1-CG2 4.18Å; Y144-V148 HydrophobicContact CE2-CG2 3.77Å; Y144-V148 WeakPolarHBondContact O-CG2 3.39Å; Y144-V148 PolarHBondContact O-N 3.26Å; Y144-P212 HydrophobicContact CE2-CB 4.47Å; Y144-P212 HydrophobicContact CE2-CG 4.21Å
145I92Very high81.7Confident2 Ų250.9 Ų50.91%0.0131%0.314CS..Hα-helixtrans-65.3-38.3179.5-67.7-74.1000110.7A124 T125 N128 L141 S142 D147 V148 L149 L168A124-I145 HydrophobicContact CB-CD1 4.08Å; T125-I145 HydrophobicContact CG2-CD1 4.45Å; N128-I145 HydrophobicContact CB-CD1 3.81Å; N128-I145 HydrophobicContact CB-CG1 3.81Å; L141-I145 HydrophobicContact CD2-CG2 3.83Å; S142-I145 PolarHBondContact O-N 2.84Å; S142-I145 WeakPolarHBondContact OG-CG1 3.46Å; S142-I145 PolarHBondContact OG-N 3.37Å; S142-I145 VanDerWaalsContact OG-N 3.16Å; I145-D147 VanDerWaalsContact C-N 3.34Å; I145-V148 PolarHBondContact O-N 3.2Å; I145-L149 HydrophobicContact CG2-CD1 4.02Å; I145-L149 HydrophobicContact CG2-CG 4.46Å; I145-L149 VanDerWaalsContact O-CB 3.32Å; I145-L149 WeakPolarHBondContact O-CB 3.38Å; I145-L149 WeakPolarHBondContact O-CG 3.38Å; I145-L149 PolarHBondContact O-N 3.02Å; I145-L168 HydrophobicContact CG2-CD1 3.76Å
146R90.3Very high80.2Confident118 Ų11858.7 Ų58.745%0.44535%0.348SS..Hα-helixtrans-62.3-42.3174.7-169.9-175.1-54.8148.88.3111.7L141 S142 P143 Y144 L149 N150L141-R146 HydrophobicContact CB-CB 4.49Å; L141-R146 PolarHBondContact O-NH2 3.1Å; S142-R146 WeakPolarHBondContact O-CB 3.36Å; S142-R146 PolarHBondContact O-N 3.4Å; P143-R146 WeakPolarHBondContact O-CB 3.23Å; P143-R146 PolarHBondContact O-N 3.01Å; Y144-R146 VanDerWaalsContact C-N 3.29Å; Y144-R146 PolarHBondContact O-N 2.87Å; R146-L149 PolarHBondContact O-N 3.1Å; R146-N150 VanDerWaalsContact O-CB 3.31Å; R146-N150 WeakPolarHBondContact O-CB 3.15Å; R146-N150 PolarHBondContact O-N 3.29Å; R146-N150 PolarHBondContact O-ND2 2.97Å
147D88.5Confident78.6Confident104 Ų10459.8 Ų59.856%0.55636%0.356SS*.Hα-helixtrans-65.5-44.6177.7-68.8-17.9000111.2P143 Y144 I145 L149 N150 G151P143-D147 WeakPolarHBondContact O-CB 3.45Å; P143-D147 PolarHBondContact O-N 2.79Å; Y144-D147 PolarHBondContact O-N 3.37Å; I145-D147 VanDerWaalsContact C-N 3.34Å; D147-L149 PolarHBondContact O-N 3.03Å; D147-N150 PolarHBondContact O-N 3.45Å; D147-G151 PolarHBondContact O-N 3.24Å
148V88.2Confident77.4Confident26 Ų2659.7 Ų59.716%0.15835%0.352CS..Hα-helixtrans-61.4-45.3173.8176.20000110.5V120 L121 A124 Y144 I145 N150 G151 T152V120-V148 HydrophobicContact CG1-CG1 4.15Å; L121-V148 HydrophobicContact CD2-CG1 4.08Å; A124-V148 HydrophobicContact CB-CB 4.28Å; A124-V148 HydrophobicContact CB-CG1 3.83Å; A124-V148 HydrophobicContact CB-CG2 4.12Å; Y144-V148 HydrophobicContact CD2-CG2 4.26Å; Y144-V148 HydrophobicContact CE1-CG2 4.18Å; Y144-V148 HydrophobicContact CE2-CG2 3.77Å; Y144-V148 WeakPolarHBondContact O-CG2 3.39Å; Y144-V148 PolarHBondContact O-N 3.26Å; I145-V148 PolarHBondContact O-N 3.2Å; V148-N150 VanDerWaalsContact C-N 3.31Å; V148-N150 PolarHBondContact O-N 2.99Å; V148-G151 PolarHBondContact O-N 2.84Å; V148-T152 HydrophobicContact CG1-CG2 3.98Å; V148-T152 VanDerWaalsContact O-CB 3.25Å; V148-T152 WeakPolarHBondContact O-CB 3.43Å; V148-T152 WeakPolarHBondContact O-CG2 3.48Å; V148-T152 PolarHBondContact O-N 3.22Å; V148-T152 PolarHBondContact O-OG1 3.3Å
149L87.2Confident76.3Confident10 Ų1058.8 Ų58.85%0.05236%0.355CS..Hα-helixtrans-60.4-39.4176.1-84.2169.4000112.9L121 L141 I145 R146 D147 T152 W154 A164 L168L121-L149 HydrophobicContact CD1-CD2 4.49Å; L121-L149 HydrophobicContact CD2-CD2 3.69Å; L121-L149 HydrophobicContact CD2-CG 4.09Å; L141-L149 HydrophobicContact CD1-CD1 3.46Å; L141-L149 VanDerWaalsContact CD1-CD1 3.46Å; L141-L149 HydrophobicContact CD2-CD1 4.25Å; L141-L149 HydrophobicContact CG-CD1 4.45Å; I145-L149 HydrophobicContact CG2-CD1 4.02Å; I145-L149 HydrophobicContact CG2-CG 4.46Å; I145-L149 VanDerWaalsContact O-CB 3.32Å; I145-L149 WeakPolarHBondContact O-CB 3.38Å; I145-L149 WeakPolarHBondContact O-CG 3.38Å; I145-L149 PolarHBondContact O-N 3.02Å; R146-L149 PolarHBondContact O-N 3.1Å; D147-L149 PolarHBondContact O-N 3.03Å; L149-T152 WeakPolarHBondContact CA-OG1 3.23Å; L149-T152 PolarHBondContact O-OG1 3.47Å; L149-W154 HydrophobicContact CD2-CB 3.63Å; L149-W154 HydrophobicContact CD2-CD2 3.52Å; L149-W154 HydrophobicContact CD2-CE3 3.74Å; L149-W154 HydrophobicContact CD2-CG 3.46Å; L149-W154 VanDerWaalsContact CD2-CG 3.46Å; L149-A164 HydrophobicContact CD1-CB 4.48Å; L149-L168 HydrophobicContact CD1-CD1 3.63Å; L149-L168 HydrophobicContact CD2-CD1 3.97Å; L149-L168 HydrophobicContact CG-CD1 3.95Å
150N84.4Confident76.2Confident85 Ų8557.5 Ų57.546%0.45533%0.329SS..Hα-helixtrans-73.9-36.6179.9-76.8-28000112.8R146 D147 V148 N155R146-N150 VanDerWaalsContact O-CB 3.31Å; R146-N150 WeakPolarHBondContact O-CB 3.15Å; R146-N150 PolarHBondContact O-N 3.29Å; R146-N150 PolarHBondContact O-ND2 2.97Å; D147-N150 PolarHBondContact O-N 3.45Å; V148-N150 VanDerWaalsContact C-N 3.31Å; V148-N150 PolarHBondContact O-N 2.99Å; N150-N155 PolarHBondContact OD1-ND2 2.89Å
151G80.1Confident75.7Confident74 Ų7459.7 Ų59.776%0.76333%0.329SS*.Hα-helixtrans-76.4-2817600000113.2D147 V148D147-G151 PolarHBondContact O-N 3.24Å; V148-G151 PolarHBondContact O-N 2.84Å
152T69.7Low75.3Confident21 Ų2165.1 Ų65.113%0.12936%0.358CS..SBendtrans-82.5166.917456.60000112.1V120 V148 L149 W154V120-T152 HydrophobicContact CG1-CG2 3.55Å; V148-T152 HydrophobicContact CG1-CG2 3.98Å; V148-T152 VanDerWaalsContact O-CB 3.25Å; V148-T152 WeakPolarHBondContact O-CB 3.43Å; V148-T152 WeakPolarHBondContact O-CG2 3.48Å; V148-T152 PolarHBondContact O-N 3.22Å; V148-T152 PolarHBondContact O-OG1 3.3Å; L149-T152 WeakPolarHBondContact CA-OG1 3.23Å; L149-T152 PolarHBondContact O-OG1 3.47Å; T152-W154 PolarHBondContact O-N 3.17Å; T152-W154 VanDerWaalsContact O-N 3.08Å
153V56.9Low75Confident32 Ų3264.3 Ų64.319%0.19435%0.353CS..THydrogen-bonded Turntrans-72.37.7179.8-163.80000111.9D117 N155 K156 S157D117-V153 WeakPolarHBondContact OD2-CB 3.5Å; V153-N155 PolarHBondContact O-N 2.93Å; V153-K156 HydrophobicContact CG1-CB 3.52Å; V153-K156 HydrophobicContact CG1-CD 4.06Å; V153-K156 HydrophobicContact CG1-CG 3.93Å; V153-K156 CarbonylContact O-C 3.46Å; V153-K156 WeakPolarHBondContact O-CA 3.03Å; V153-K156 PolarHBondContact O-N 2.98Å; V153-S157 PolarHBondContact O-N 2.84Å; V153-S157 PolarHBondContact O-OG 3.32Å; V153-S157 VanDerWaalsContact O-OG 3.13Å
154W58.9Low74.8Confident5 Ų560.1 Ų60.12%0.01933%0.326CS..Hα-helixtrans-49.7-41.5172.9-170.3-78.6000110.4D56 F59 L121 L149 T152 K156 M158 A164 L168D56-W154 HydrophobicContact CB-CH2 4.08Å; D56-W154 HydrophobicContact CB-CZ2 4.24Å; F59-W154 HydrophobicContact CB-CH2 3.94Å; F59-W154 HydrophobicContact CB-CZ3 3.93Å; F59-W154 HydrophobicContact CD1-CH2 4.18Å; F59-W154 HydrophobicContact CD1-CZ3 4.15Å; F59-W154 HydrophobicContact CD2-CE3 4.38Å; F59-W154 HydrophobicContact CD2-CH2 4.25Å; F59-W154 AromaticContact CD2-CZ3 3.48Å; F59-W154 HydrophobicContact CD2-CZ3 3.48Å; F59-W154 VanDerWaalsContact CD2-CZ3 3.48Å; F59-W154 AromaticContact CE2-CZ3 3.99Å; F59-W154 HydrophobicContact CE2-CZ3 3.99Å; F59-W154 AromaticContact CG-CH2 3.84Å; F59-W154 HydrophobicContact CG-CH2 3.84Å; F59-W154 AromaticContact CG-CZ3 3.55Å; F59-W154 HydrophobicContact CG-CZ3 3.55Å; L121-W154 HydrophobicContact CD1-CE3 3.5Å; L121-W154 VanDerWaalsContact CD1-CE3 3.5Å; L121-W154 HydrophobicContact CD1-CZ3 3.94Å; L149-W154 HydrophobicContact CD2-CB 3.63Å; L149-W154 HydrophobicContact CD2-CD2 3.52Å; L149-W154 HydrophobicContact CD2-CE3 3.74Å; L149-W154 HydrophobicContact CD2-CG 3.46Å; L149-W154 VanDerWaalsContact CD2-CG 3.46Å; T152-W154 PolarHBondContact O-N 3.17Å; T152-W154 VanDerWaalsContact O-N 3.08Å; W154-K156 VanDerWaalsContact C-N 3.3Å; W154-K156 PolarHBondContact O-N 2.88Å; W154-M158 HydrophobicContact CD2-CB 3.78Å; W154-M158 HydrophobicContact CD2-CG 4.48Å; W154-M158 HydrophobicContact CD2-SD 4.03Å; W154-M158 HydrophobicContact CE3-CB 4.07Å; W154-M158 HydrophobicContact CE3-CG 4.29Å; W154-M158 HydrophobicContact CE3-SD 3.3Å; W154-M158 HydrophobicContact CG-CB 4.15Å; W154-M158 HydrophobicContact CH2-CB 4.47Å; W154-M158 HydrophobicContact CH2-SD 4.08Å; W154-M158 HydrophobicContact CZ2-CB 4.18Å; W154-M158 HydrophobicContact CZ3-CB 4.44Å; W154-M158 HydrophobicContact CZ3-CG 4.5Å; W154-M158 HydrophobicContact CZ3-SD 3.36Å; W154-M158 WeakPolarHBondContact CZ3-SD 3.17Å; W154-M158 PolarHBondContact O-N 3.3Å; W154-M158 VanDerWaalsContact O-O 3.05Å; W154-A164 HydrophobicContact CH2-CB 4.14Å; W154-A164 HydrophobicContact CZ2-CB 3.43Å; W154-A164 VanDerWaalsContact CZ2-CB 3.43Å; W154-L168 HydrophobicContact CZ3-CD2 4.42Å
155N55.2Low74.7Confident73 Ų7360.2 Ų60.239%0.3933%0.331SS..Hα-helixtrans-64.5-22.1174.3-79.1-34.7000115.8N150 V153 K161N150-N155 PolarHBondContact OD1-ND2 2.89Å; V153-N155 PolarHBondContact O-N 2.93Å; N155-K161 WeakPolarHBondContact OD1-CE 3.21Å; N155-K161 PolarHBondContact OD1-NZ 3.34Å
156K59.6Low74.5Confident185 Ų18564.7 Ų64.780%0.80435%0.347SS*.Hα-helixtrans-108.4-18.6-177.7-33.5178.9176.6168.10114.5V153 W154V153-K156 HydrophobicContact CG1-CB 3.52Å; V153-K156 HydrophobicContact CG1-CD 4.06Å; V153-K156 HydrophobicContact CG1-CG 3.93Å; V153-K156 CarbonylContact O-C 3.46Å; V153-K156 WeakPolarHBondContact O-CA 3.03Å; V153-K156 PolarHBondContact O-N 2.98Å; W154-K156 VanDerWaalsContact C-N 3.3Å; W154-K156 PolarHBondContact O-N 2.88Å
157S57.2Low74.6Confident27 Ų2759 Ų5919%0.18933%0.326CS..Hα-helixtrans-131.2-15.1-171.963.90000116.6R114 V153R114-S157 PolarHBondContact NH2-O 2.84Å; V153-S157 PolarHBondContact O-N 2.84Å; V153-S157 PolarHBondContact O-OG 3.32Å; V153-S157 VanDerWaalsContact O-OG 3.13Å
158M59.5Low74.8Confident12 Ų1254.1 Ų54.16%0.05930%0.3CS..  trans-116.8124.8-177.9-73175.7170.300109.6F59 W154F59-M158 HydrophobicContact CB-CE 3.62Å; F59-M158 HydrophobicContact CB-SD 3.68Å; F59-M158 HydrophobicContact CD2-CE 3.8Å; F59-M158 HydrophobicContact CD2-SD 3.77Å; F59-M158 HydrophobicContact CG-CE 4.2Å; F59-M158 HydrophobicContact CG-SD 4.12Å; W154-M158 HydrophobicContact CD2-CB 3.78Å; W154-M158 HydrophobicContact CD2-CG 4.48Å; W154-M158 HydrophobicContact CD2-SD 4.03Å; W154-M158 HydrophobicContact CE3-CB 4.07Å; W154-M158 HydrophobicContact CE3-CG 4.29Å; W154-M158 HydrophobicContact CE3-SD 3.3Å; W154-M158 HydrophobicContact CG-CB 4.15Å; W154-M158 HydrophobicContact CH2-CB 4.47Å; W154-M158 HydrophobicContact CH2-SD 4.08Å; W154-M158 HydrophobicContact CZ2-CB 4.18Å; W154-M158 HydrophobicContact CZ3-CB 4.44Å; W154-M158 HydrophobicContact CZ3-CG 4.5Å; W154-M158 HydrophobicContact CZ3-SD 3.36Å; W154-M158 WeakPolarHBondContact CZ3-SD 3.17Å; W154-M158 PolarHBondContact O-N 3.3Å; W154-M158 VanDerWaalsContact O-O 3.05Å
159C56.4Low75Confident126 Ų12655.6 Ų55.685%0.85131%0.305SS*.  trans-86.3-16.4-155.5-70.70000113.9D56D56-C159 PolarHBondContact OD2-N 2.96Å
160N71.7Confident75.2Confident55 Ų5555.7 Ų55.729%0.29431%0.306SS..  trans-125.696.3-171.4-168-10.1000112.6D162 A163 A164N160-D162 VanDerWaalsContact C-N 3.26Å; N160-D162 PolarHBondContact O-N 3Å; N160-D162 WeakPolarHBondContact OD1-CB 3.49Å; N160-D162 PolarHBondContact OD1-N 3.17Å; N160-A163 HydrophobicContact CB-CB 3.88Å; N160-A163 PolarHBondContact O-N 3.07Å; N160-A163 PolarHBondContact OD1-N 3.29Å; N160-A163 VanDerWaalsContact OD1-N 3.13Å; N160-A164 PolarHBondContact O-N 2.83Å
161K73.2Confident75.6Confident126 Ų12651.6 Ų51.655%0.54828%0.284SS..THydrogen-bonded Turntrans-63.3-32174.4-69.2-173.1178-1680112.7N155 A163 A164N155-K161 WeakPolarHBondContact OD1-CE 3.21Å; N155-K161 PolarHBondContact OD1-NZ 3.34Å; K161-A163 VanDerWaalsContact C-N 3.28Å; K161-A163 PolarHBondContact O-N 3.45Å; K161-A164 VanDerWaalsContact O-CB 3.23Å; K161-A164 WeakPolarHBondContact O-CB 3.04Å; K161-A164 PolarHBondContact O-N 3.02Å
162D81.1Confident76.3Confident143 Ų14348.1 Ų48.177%0.76525%0.248SC*.THydrogen-bonded Turntrans-72.1-27.8-179.2-57.6-29.1000111.3N160 P165N160-D162 VanDerWaalsContact C-N 3.26Å; N160-D162 PolarHBondContact O-N 3Å; N160-D162 WeakPolarHBondContact OD1-CB 3.49Å; N160-D162 PolarHBondContact OD1-N 3.17Å; D162-P165 WeakPolarHBondContact O-CD 3.42Å
163A84.3Confident77.4Confident0 Ų049.8 Ų49.80%025%0.253CS..THydrogen-bonded Turntrans-80.1-15.2172.600000113.8L54 D56 N160 K161 R166 S167L54-A163 VanDerWaalsContact O-CA 3.32Å; L54-A163 WeakPolarHBondContact O-CA 3.48Å; L54-A163 WeakPolarHBondContact O-CB 3.41Å; D56-A163 HydrophobicContact CB-CB 4.45Å; N160-A163 HydrophobicContact CB-CB 3.88Å; N160-A163 PolarHBondContact O-N 3.07Å; N160-A163 PolarHBondContact OD1-N 3.29Å; N160-A163 VanDerWaalsContact OD1-N 3.13Å; K161-A163 VanDerWaalsContact C-N 3.28Å; K161-A163 PolarHBondContact O-N 3.45Å; A163-R166 PolarHBondContact O-N 3.07Å; A163-S167 VanDerWaalsContact O-CB 3.32Å; A163-S167 WeakPolarHBondContact O-CB 3.31Å; A163-S167 PolarHBondContact O-N 3.17Å; A163-S167 PolarHBondContact O-OG 3.48Å
164A85.6Confident79.1Confident2 Ų248.3 Ų48.32%0.01724%0.244CC..Hα-helixtrans-58.1-47.6-173.100000113.5L149 W154 N160 K161 R166 S167 L168L149-A164 HydrophobicContact CD1-CB 4.48Å; W154-A164 HydrophobicContact CH2-CB 4.14Å; W154-A164 HydrophobicContact CZ2-CB 3.43Å; W154-A164 VanDerWaalsContact CZ2-CB 3.43Å; N160-A164 PolarHBondContact O-N 2.83Å; K161-A164 VanDerWaalsContact O-CB 3.23Å; K161-A164 WeakPolarHBondContact O-CB 3.04Å; K161-A164 PolarHBondContact O-N 3.02Å; A164-R166 PolarHBondContact O-N 3.12Å; A164-S167 PolarHBondContact O-N 3.27Å; A164-L168 VanDerWaalsContact O-CB 3.27Å; A164-L168 WeakPolarHBondContact O-CB 3.18Å; A164-L168 WeakPolarHBondContact O-CG 3.44Å; A164-L168 PolarHBondContact O-N 3.13Å
165P89Confident80.7Confident38 Ų3848 Ų4825%0.24724%0.244CC..Hα-helixtrans-57.3-50.1-177.1-22.132.6000112.3L141 D162 E169L141-P165 HydrophobicContact CD1-CG 4.41Å; L141-P165 HydrophobicContact CD2-CB 3.85Å; L141-P165 HydrophobicContact CD2-CG 3.9Å; L141-P165 HydrophobicContact CG-CB 4.38Å; L141-P165 HydrophobicContact CG-CG 3.98Å; D162-P165 WeakPolarHBondContact O-CD 3.42Å; P165-E169 VanDerWaalsContact O-CB 3.29Å; P165-E169 WeakPolarHBondContact O-CB 3.37Å; P165-E169 PolarHBondContact O-N 3.1Å
166R88.7Confident82.5Confident96 Ų9644.6 Ų44.636%0.36223%0.225SC..Hα-helixtrans-70.2-38.9-176.6-160.1175.3-178.3151.91.6112.3Y55 A163 A164 T170Y55-R166 HydrophobicContact CD1-CG 4.41Å; Y55-R166 HydrophobicContact CE1-CB 4.41Å; Y55-R166 HydrophobicContact CE1-CG 3.7Å; Y55-R166 PolarHBondContact OH-NE 3.18Å; A163-R166 PolarHBondContact O-N 3.07Å; A164-R166 PolarHBondContact O-N 3.12Å; R166-T170 VanDerWaalsContact O-CB 3.3Å; R166-T170 WeakPolarHBondContact O-CB 3.45Å; R166-T170 PolarHBondContact O-N 3.36Å; R166-T170 PolarHBondContact O-OG1 3.01Å
167S90.8Very high84.2Confident0 Ų036 Ų360%019%0.188CC..Hα-helixtrans-63.5-50.3176.5-52.80000111.3Y55 D56 M60 A163 A164 E169 T170 A171Y55-S167 WeakPolarHBondContact CA-OG 3.07Å; D56-S167 PolarHBondContact N-OG 3.43Å; M60-S167 VanDerWaalsContact SD-O 3.38Å; A163-S167 VanDerWaalsContact O-CB 3.32Å; A163-S167 WeakPolarHBondContact O-CB 3.31Å; A163-S167 PolarHBondContact O-N 3.17Å; A163-S167 PolarHBondContact O-OG 3.48Å; A164-S167 PolarHBondContact O-N 3.27Å; S167-E169 PolarHBondContact O-N 3.43Å; S167-T170 PolarHBondContact O-N 2.95Å; S167-A171 WeakPolarHBondContact O-CB 3.49Å; S167-A171 PolarHBondContact O-N 3.46Å
168L92.4Very high86.1Confident1 Ų134.7 Ų34.71%0.00518%0.179CC..Hα-helixtrans-61.4-45.8178.4-73.3178.3000111.9F59 L121 T125 V136 L141 I145 L149 W154 A164 T170 G172F59-L168 HydrophobicContact CE1-CD2 4.25Å; F59-L168 HydrophobicContact CE2-CD2 4.12Å; F59-L168 HydrophobicContact CZ-CD2 3.66Å; L121-L168 HydrophobicContact CB-CD2 3.66Å; L121-L168 HydrophobicContact CD1-CD2 4.15Å; L121-L168 HydrophobicContact CD2-CD2 4Å; L121-L168 HydrophobicContact CG-CD2 4.15Å; T125-L168 HydrophobicContact CG2-CB 4.28Å; V136-L168 HydrophobicContact CG1-CB 3.55Å; V136-L168 HydrophobicContact CG1-CD1 4.49Å; L141-L168 HydrophobicContact CD2-CD1 4.32Å; I145-L168 HydrophobicContact CG2-CD1 3.76Å; L149-L168 HydrophobicContact CD1-CD1 3.63Å; L149-L168 HydrophobicContact CD2-CD1 3.97Å; L149-L168 HydrophobicContact CG-CD1 3.95Å; W154-L168 HydrophobicContact CZ3-CD2 4.42Å; A164-L168 VanDerWaalsContact O-CB 3.27Å; A164-L168 WeakPolarHBondContact O-CB 3.18Å; A164-L168 WeakPolarHBondContact O-CG 3.44Å; A164-L168 PolarHBondContact O-N 3.13Å; L168-T170 VanDerWaalsContact C-N 3.28Å; L168-T170 PolarHBondContact O-N 3.41Å; L168-G172 WeakPolarHBondContact O-CA 3.42Å; L168-G172 PolarHBondContact O-N 2.93Å
169E92.7Very high87.6Confident56 Ų5634.9 Ų34.926%0.26218%0.18SC..Hα-helixtrans-59.4-44.8179.2-169.5-170173.900111H135 V136 P165 S167 G172 K173H135-E169 HydrophobicContact CB-CG 4.45Å; V136-E169 HydrophobicContact CG1-CB 4.11Å; V136-E169 HydrophobicContact CG2-CB 3.77Å; V136-E169 HydrophobicContact CG2-CG 4.08Å; P165-E169 VanDerWaalsContact O-CB 3.29Å; P165-E169 WeakPolarHBondContact O-CB 3.37Å; P165-E169 PolarHBondContact O-N 3.1Å; S167-E169 PolarHBondContact O-N 3.43Å; E169-G172 PolarHBondContact O-N 3.12Å; E169-K173 HydrophobicContact CG-CD 4.44Å; E169-K173 VanDerWaalsContact O-CG 3.31Å; E169-K173 WeakPolarHBondContact O-CG 3.49Å; E169-K173 PolarHBondContact O-N 3.45Å; E169-K173 VanDerWaalsContact OE1-CE 3.29Å; E169-K173 WeakPolarHBondContact OE1-CE 3.13Å; E169-K173 IonicContact OE1-NZ 2.76Å; E169-K173 PolarHBondContact OE1-NZ 2.65Å
170T91.6Very high89.4Confident12 Ų1228.9 Ų28.97%0.07414%0.14CC..Hα-helixtrans-68.5-48.9-177.9-58.30000111.3L21 Y55 M60 R166 S167 L168 G172 K173 W174L21-T170 HydrophobicContact CB-CG2 4.02Å; L21-T170 HydrophobicContact CD2-CG2 3.98Å; L21-T170 HydrophobicContact CG-CG2 4.46Å; Y55-T170 HydrophobicContact CE1-CG2 4.32Å; Y55-T170 WeakPolarHBondContact CE1-OG1 3.33Å; M60-T170 HydrophobicContact CE-CG2 3.56Å; R166-T170 VanDerWaalsContact O-CB 3.3Å; R166-T170 WeakPolarHBondContact O-CB 3.45Å; R166-T170 PolarHBondContact O-N 3.36Å; R166-T170 PolarHBondContact O-OG1 3.01Å; S167-T170 PolarHBondContact O-N 2.95Å; L168-T170 VanDerWaalsContact C-N 3.28Å; L168-T170 PolarHBondContact O-N 3.41Å; T170-G172 VanDerWaalsContact C-N 3.27Å; T170-G172 PolarHBondContact O-N 3.43Å; T170-K173 PolarHBondContact O-N 3.22Å; T170-K173 VanDerWaalsContact O-N 3.14Å; T170-W174 HydrophobicContact CG2-CD2 4.47Å; T170-W174 HydrophobicContact CG2-CZ2 3.86Å; T170-W174 PolarHBondContact O-N 3.3Å; T170-W174 VanDerWaalsContact O-N 3.09Å
171A92.5Very high90.5Very high0 Ų026.3 Ų26.30%013%0.126CC..Hα-helixtrans-60.4-37.8173.800000112.4F59 M60 A63 I67 V122 S167 W174 A175F59-A171 HydrophobicContact CE1-CB 3.55Å; F59-A171 HydrophobicContact CZ-CB 3.76Å; M60-A171 HydrophobicContact SD-CB 4.24Å; A63-A171 HydrophobicContact CB-CB 3.74Å; I67-A171 WeakPolarHBondContact CD1-O 3.43Å; V122-A171 HydrophobicContact CG2-CB 4.17Å; S167-A171 WeakPolarHBondContact O-CB 3.49Å; S167-A171 PolarHBondContact O-N 3.46Å; A171-W174 HydrophobicContact CB-CE3 4.29Å; A171-W174 WeakPolarHBondContact O-CB 3.38Å; A171-W174 PolarHBondContact O-N 3.02Å; A171-A175 PolarHBondContact O-N 3.15Å
172G94.4Very high91.4Very high0 Ų025.2 Ų25.20%012%0.121CC..Hα-helixtrans-63-40.3174.500000112.5T125 K126 L168 E169 T170 W174T125-G172 WeakPolarHBondContact OG1-CA 3.31Å; K126-G172 WeakPolarHBondContact CE-O 3.46Å; K126-G172 PolarHBondContact NZ-O 3.06Å; L168-G172 WeakPolarHBondContact O-CA 3.42Å; L168-G172 PolarHBondContact O-N 2.93Å; E169-G172 PolarHBondContact O-N 3.12Å; T170-G172 VanDerWaalsContact C-N 3.27Å; T170-G172 PolarHBondContact O-N 3.43Å; G172-W174 VanDerWaalsContact C-N 3.3Å; G172-W174 PolarHBondContact O-N 3.13Å
173K93.2Very high91.9Very high56 Ų5620.8 Ų20.824%0.24310%0.099CC..Hα-helixtrans-67.1-28.9174.6-75.3174-176.2171.80112.8G83 E84 E169 T170G83-K173 CarbonylContact C-O 3.58Å; G83-K173 WeakPolarHBondContact CA-O 3.19Å; E84-K173 HydrophobicContact CB-CB 4.17Å; E84-K173 HydrophobicContact CG-CB 4.01Å; E84-K173 PolarHBondContact N-O 3.49Å; E169-K173 HydrophobicContact CG-CD 4.44Å; E169-K173 VanDerWaalsContact O-CG 3.31Å; E169-K173 WeakPolarHBondContact O-CG 3.49Å; E169-K173 PolarHBondContact O-N 3.45Å; E169-K173 VanDerWaalsContact OE1-CE 3.29Å; E169-K173 WeakPolarHBondContact OE1-CE 3.13Å; E169-K173 IonicContact OE1-NZ 2.76Å; E169-K173 PolarHBondContact OE1-NZ 2.65Å; T170-K173 PolarHBondContact O-N 3.22Å; T170-K173 VanDerWaalsContact O-N 3.14Å
174W92.9Very high92.2Very high1 Ų120.9 Ų20.90%0.00410%0.1CC..Hα-helixtrans-68.8-39.2179.8-62.2-19.4000113.8L21 V23 V46 M60 A64 I67 T170 A171 G172L21-W174 HydrophobicContact CD2-CH2 4.3Å; L21-W174 HydrophobicContact CD2-CZ2 3.75Å; L21-W174 HydrophobicContact CG-CZ2 4.09Å; L21-W174 PolarHBondContact O-NE1 2.96Å; V23-W174 HydrophobicContact CB-CD2 4.37Å; V23-W174 HydrophobicContact CG2-CB 3.66Å; V23-W174 HydrophobicContact CG2-CD2 2.92Å; V23-W174 HydrophobicContact CG2-CE3 3.21Å; V23-W174 HydrophobicContact CG2-CG 3.17Å; V23-W174 HydrophobicContact CG2-CH2 3.87Å; V23-W174 HydrophobicContact CG2-CZ2 3.67Å; V23-W174 HydrophobicContact CG2-CZ3 3.68Å; V46-W174 HydrophobicContact CG1-CH2 4.05Å; V46-W174 HydrophobicContact CG2-CH2 3.84Å; V46-W174 HydrophobicContact CG2-CZ3 4.33Å; M60-W174 HydrophobicContact CE-CE3 4.34Å; M60-W174 HydrophobicContact CE-CH2 3.19Å; M60-W174 HydrophobicContact CE-CZ2 3.45Å; M60-W174 VanDerWaalsContact CE-CZ2 3.45Å; M60-W174 HydrophobicContact CE-CZ3 3.66Å; M60-W174 HydrophobicContact SD-CH2 4.43Å; M60-W174 HydrophobicContact SD-CZ3 4.46Å; A64-W174 HydrophobicContact CB-CZ3 4.1Å; I67-W174 HydrophobicContact CD1-CB 3.94Å; I67-W174 HydrophobicContact CD1-CE3 4.37Å; T170-W174 HydrophobicContact CG2-CD2 4.47Å; T170-W174 HydrophobicContact CG2-CZ2 3.86Å; T170-W174 PolarHBondContact O-N 3.3Å; T170-W174 VanDerWaalsContact O-N 3.09Å; A171-W174 HydrophobicContact CB-CE3 4.29Å; A171-W174 WeakPolarHBondContact O-CB 3.38Å; A171-W174 PolarHBondContact O-N 3.02Å; G172-W174 VanDerWaalsContact C-N 3.3Å; G172-W174 PolarHBondContact O-N 3.13Å
175A93Very high92.5Very high0 Ų022.6 Ų22.60%012%0.117CC..SBendtrans-71.7146.5179.400000111.7I67 V122 K126 A171 T177 V180I67-A175 HydrophobicContact CD1-CB 4.13Å; I67-A175 HydrophobicContact CG1-CB 4.16Å; I67-A175 HydrophobicContact CG2-CB 4.29Å; V122-A175 HydrophobicContact CG1-CB 3.57Å; K126-A175 WeakPolarHBondContact CE-O 3.39Å; K126-A175 PolarHBondContact NZ-O 3.05Å; A171-A175 PolarHBondContact O-N 3.15Å; A175-T177 PolarHBondContact O-N 3.45Å; A175-V180 HydrophobicContact CB-CG2 4.46Å
176S93.6Very high92.7Very high0 Ų021.3 Ų21.30%011%0.109CC..  trans-65.2123.5171.2157.60000110.3A72 D82 I179 V180A72-S176 WeakPolarHBondContact O-CB 3.36Å; A72-S176 PolarHBondContact O-N 3.3Å; D82-S176 VanDerWaalsContact CG-OG 3.25Å; D82-S176 WeakPolarHBondContact O-CA 3.47Å; D82-S176 WeakPolarHBondContact OD2-CB 3.46Å; D82-S176 PolarHBondContact OD2-OG 3.08Å; S176-I179 WeakPolarHBondContact OG-CB 3.42Å; S176-I179 WeakPolarHBondContact OG-CD1 3.4Å; S176-I179 WeakPolarHBondContact OG-CG1 3.44Å; S176-I179 PolarHBondContact OG-N 2.84Å; S176-V180 WeakPolarHBondContact O-CB 3.39Å; S176-V180 VanDerWaalsContact O-CG2 3.22Å; S176-V180 WeakPolarHBondContact O-CG2 3.37Å; S176-V180 PolarHBondContact O-N 3.38Å
177T95.3Very high92.9Very high5 Ų524.4 Ų24.43%0.03113%0.127CC..Hα-helixtrans-70-43.3177.3-52.30000110.3D82 K126 W129 A175 V180 L181 Y271 L272D82-T177 PolarHBondContact OD1-N 3.39Å; D82-T177 PolarHBondContact OD2-N 2.79Å; K126-T177 HydrophobicContact CD-CG2 4.37Å; K126-T177 PolarHBondContact NZ-OG1 2.78Å; W129-T177 HydrophobicContact CD2-CG2 4.14Å; W129-T177 HydrophobicContact CE3-CG2 3.59Å; W129-T177 HydrophobicContact CH2-CG2 4.14Å; W129-T177 HydrophobicContact CZ3-CG2 3.61Å; A175-T177 PolarHBondContact O-N 3.45Å; T177-V180 PolarHBondContact O-N 3.25Å; T177-L181 HydrophobicContact CG2-CD1 3.75Å; T177-L181 HydrophobicContact CG2-CG 4.08Å; T177-L181 WeakPolarHBondContact O-CB 3.39Å; T177-L181 VanDerWaalsContact O-CG 3.27Å; T177-L181 WeakPolarHBondContact O-CG 3.49Å; T177-L181 PolarHBondContact O-N 2.87Å; T177-Y271 WeakPolarHBondContact CB-OH 3.49Å; T177-Y271 HydrophobicContact CG2-CE1 4.24Å; T177-Y271 PolarHBondContact OG1-OH 3.25Å; T177-L272 HydrophobicContact CG2-CD2 4.28Å
178C95.2Very high93Very high0 Ų026.4 Ų26.40%015%0.148CC..Hα-helixtrans-64.9-44-177.4-66.70000111.7D82 K182 I189 T192D82-C178 VanDerWaalsContact OD2-CB 3.23Å; D82-C178 WeakPolarHBondContact OD2-CB 3.33Å; D82-C178 PolarHBondContact OD2-N 3.47Å; C178-K182 WeakPolarHBondContact O-CB 3.13Å; C178-K182 PolarHBondContact O-N 3.43Å; C178-I189 HydrophobicContact CB-CG2 3.68Å; C178-T192 HydrophobicContact CB-CG2 3.52Å
179I92.7Very high93.1Very high15 Ų1527.1 Ų27.18%0.07715%0.151CC..Hα-helixtrans-63.4-47.5178.6-67.9170.8000110.5S176 K182 T183 T192S176-I179 WeakPolarHBondContact OG-CB 3.42Å; S176-I179 WeakPolarHBondContact OG-CD1 3.4Å; S176-I179 WeakPolarHBondContact OG-CG1 3.44Å; S176-I179 PolarHBondContact OG-N 2.84Å; I179-K182 PolarHBondContact O-N 3.31Å; I179-T183 WeakPolarHBondContact O-CB 3.46Å; I179-T183 PolarHBondContact O-N 3.28Å; I179-T183 PolarHBondContact O-OG1 3.31Å; I179-T192 HydrophobicContact CG1-CG2 4.31Å; I179-T192 WeakPolarHBondContact CG1-OG1 3.5Å
180V93.7Very high93.2Very high1 Ų126.6 Ų26.61%0.00615%0.147CC..Hα-helixtrans-63.6-48.8-178.7173.60000110.8A72 I123 K126 A175 S176 T177 K182 T183 L184A72-V180 HydrophobicContact CB-CG2 4.31Å; I123-V180 HydrophobicContact CG1-CG1 4.39Å; I123-V180 HydrophobicContact CG2-CG1 4.36Å; K126-V180 HydrophobicContact CB-CB 4.26Å; K126-V180 HydrophobicContact CB-CG1 3.69Å; K126-V180 HydrophobicContact CG-CB 3.99Å; K126-V180 HydrophobicContact CG-CG1 3.81Å; K126-V180 HydrophobicContact CG-CG2 4.23Å; A175-V180 HydrophobicContact CB-CG2 4.46Å; S176-V180 WeakPolarHBondContact O-CB 3.39Å; S176-V180 VanDerWaalsContact O-CG2 3.22Å; S176-V180 WeakPolarHBondContact O-CG2 3.37Å; S176-V180 PolarHBondContact O-N 3.38Å; T177-V180 PolarHBondContact O-N 3.25Å; V180-K182 PolarHBondContact O-N 3.5Å; V180-T183 PolarHBondContact O-N 3.23Å; V180-L184 HydrophobicContact CG1-CD1 4.06Å; V180-L184 WeakPolarHBondContact O-CG 3.32Å; V180-L184 PolarHBondContact O-N 3.35Å
181L94.8Very high93.3Very high0 Ų033.8 Ų33.80%018%0.18CC..Hα-helixtrans-64.1-39.8179.8-69.7-171.1000112.6W129 W130 T177 T183 L184 G185 L186 I189 L272W129-L181 HydrophobicContact CE3-CD1 4.42Å; W129-L181 HydrophobicContact CZ3-CD1 4.18Å; W130-L181 HydrophobicContact CB-CD2 4.09Å; W130-L181 HydrophobicContact CE3-CD1 3.98Å; T177-L181 HydrophobicContact CG2-CD1 3.75Å; T177-L181 HydrophobicContact CG2-CG 4.08Å; T177-L181 WeakPolarHBondContact O-CB 3.39Å; T177-L181 VanDerWaalsContact O-CG 3.27Å; T177-L181 WeakPolarHBondContact O-CG 3.49Å; T177-L181 PolarHBondContact O-N 2.87Å; L181-T183 VanDerWaalsContact C-N 3.33Å; L181-T183 PolarHBondContact O-N 3.42Å; L181-L184 HydrophobicContact CD2-CD1 4.31Å; L181-L184 PolarHBondContact O-N 3.2Å; L181-G185 PolarHBondContact O-N 2.89Å; L181-L186 HydrophobicContact CB-CD1 3.96Å; L181-L186 HydrophobicContact CD1-CD1 4.21Å; L181-L186 HydrophobicContact CD2-CD1 3.97Å; L181-L186 HydrophobicContact CG-CD1 4.25Å; L181-L186 WeakPolarHBondContact O-CB 3.32Å; L181-L186 PolarHBondContact O-N 2.93Å; L181-L186 VanDerWaalsContact O-N 3.14Å; L181-I189 HydrophobicContact CB-CD1 4.1Å; L181-I189 HydrophobicContact CB-CG1 4.45Å; L181-I189 HydrophobicContact CD1-CD1 4.38Å; L181-L272 HydrophobicContact CD1-CD2 4.03Å
182K92.9Very high93.1Very high103 Ų10335 Ų3545%0.44819%0.187SC..Hα-helixtrans-63.2-40.2174.2-176.1173.1-178.7174.60111.5C178 I179 V180 L184 G185 I189C178-K182 WeakPolarHBondContact O-CB 3.13Å; C178-K182 PolarHBondContact O-N 3.43Å; I179-K182 PolarHBondContact O-N 3.31Å; V180-K182 PolarHBondContact O-N 3.5Å; K182-L184 VanDerWaalsContact C-N 3.29Å; K182-L184 PolarHBondContact O-N 3.33Å; K182-G185 PolarHBondContact O-N 3.2Å; K182-I189 HydrophobicContact CB-CB 4.32Å; K182-I189 HydrophobicContact CB-CG2 4.33Å
183T90.5Very high92.8Very high50 Ų5040.2 Ų40.231%0.30721%0.21SC..Hα-helixtrans-66.8-32.6177.1-52.30000111.9I179 V180 L181 G185 L203 L205I179-T183 WeakPolarHBondContact O-CB 3.46Å; I179-T183 PolarHBondContact O-N 3.28Å; I179-T183 PolarHBondContact O-OG1 3.31Å; V180-T183 PolarHBondContact O-N 3.23Å; L181-T183 VanDerWaalsContact C-N 3.33Å; L181-T183 PolarHBondContact O-N 3.42Å; T183-G185 PolarHBondContact O-N 3.07Å; T183-G185 VanDerWaalsContact O-N 3.15Å; T183-L203 HydrophobicContact CG2-CB 3.69Å; T183-L203 HydrophobicContact CG2-CD1 4.36Å; T183-L205 HydrophobicContact CG2-CD1 4.09Å; T183-L205 HydrophobicContact CG2-CG 4.49Å
184L91Very high92.1Very high2 Ų240.9 Ų40.91%0.0122%0.216CC..THydrogen-bonded Turntrans-71.41.4171.4-69.2168.8000113.9I123 V127 V180 L181 K182 L205 F209 H210 V213I123-L184 HydrophobicContact CG2-CD1 4.05Å; I123-L184 HydrophobicContact CG2-CD2 4.21Å; V127-L184 HydrophobicContact CG2-CD1 3.81Å; V180-L184 HydrophobicContact CG1-CD1 4.06Å; V180-L184 WeakPolarHBondContact O-CG 3.32Å; V180-L184 PolarHBondContact O-N 3.35Å; L181-L184 HydrophobicContact CD2-CD1 4.31Å; L181-L184 PolarHBondContact O-N 3.2Å; K182-L184 VanDerWaalsContact C-N 3.29Å; K182-L184 PolarHBondContact O-N 3.33Å; L184-L205 HydrophobicContact CD2-CD1 3.38Å; L184-L205 HydrophobicContact CG-CD1 3.91Å; L184-F209 HydrophobicContact CD2-CB 3.4Å; L184-F209 HydrophobicContact CD2-CG 4.36Å; L184-H210 PolarHBondContact O-CE1 3.08Å; L184-H210 PolarHBondContact O-ND1 3.41Å; L184-V213 HydrophobicContact CB-CG1 4.02Å; L184-V213 HydrophobicContact CB-CG2 4.16Å; L184-V213 HydrophobicContact CD1-CG1 3.69Å; L184-V213 HydrophobicContact CG-CG1 4.4Å
185G91.1Very high91.4Very high38 Ų3841 Ų4139%0.39222%0.217SC..THydrogen-bonded Turntrans90.56.6174.900000114.6L181 K182 T183 Q187L181-G185 PolarHBondContact O-N 2.89Å; K182-G185 PolarHBondContact O-N 3.2Å; T183-G185 PolarHBondContact O-N 3.07Å; T183-G185 VanDerWaalsContact O-N 3.15Å; G185-Q187 PolarHBondContact O-N 3.14Å; G185-Q187 PolarHBondContact O-NE2 2.8Å; G185-Q187 VanDerWaalsContact O-NE2 3.13Å
186L92.8Very high90.3Very high12 Ų1246.7 Ų46.76%0.06325%0.254CS..  trans-66.8120.1175-73.2176.3000110.6W130 L181 I189 V213 V263W130-L186 HydrophobicContact CD2-CD1 3.84Å; W130-L186 HydrophobicContact CE3-CD1 3.96Å; W130-L186 HydrophobicContact CG-CD1 4.43Å; W130-L186 HydrophobicContact CH2-CD1 4.03Å; W130-L186 HydrophobicContact CH2-CD2 4.35Å; W130-L186 HydrophobicContact CZ2-CD1 3.94Å; W130-L186 HydrophobicContact CZ2-CD2 3.96Å; W130-L186 HydrophobicContact CZ3-CD1 4.06Å; L181-L186 HydrophobicContact CB-CD1 3.96Å; L181-L186 HydrophobicContact CD1-CD1 4.21Å; L181-L186 HydrophobicContact CD2-CD1 3.97Å; L181-L186 HydrophobicContact CG-CD1 4.25Å; L181-L186 WeakPolarHBondContact O-CB 3.32Å; L181-L186 PolarHBondContact O-N 2.93Å; L181-L186 VanDerWaalsContact O-N 3.14Å; L186-I189 HydrophobicContact CB-CD1 4.43Å; L186-I189 HydrophobicContact CB-CG1 4.08Å; L186-I189 WeakPolarHBondContact O-CG1 3.47Å; L186-V213 HydrophobicContact CD1-CB 4.22Å; L186-V213 HydrophobicContact CD1-CG1 4.35Å; L186-V213 HydrophobicContact CD2-CB 4.24Å; L186-V213 HydrophobicContact CG-CB 4.14Å; L186-V263 HydrophobicContact CB-CG2 4.24Å
187Q92.9Very high89.2Confident160 Ų16048.9 Ų48.975%0.74827%0.267SS*.THydrogen-bonded Turntrans-84.5151.7179.6-58.3-57.6-43.200111.1G185 I189 V263G185-Q187 PolarHBondContact O-N 3.14Å; G185-Q187 PolarHBondContact O-NE2 2.8Å; G185-Q187 VanDerWaalsContact O-NE2 3.13Å; Q187-I189 VanDerWaalsContact C-N 3.3Å; Q187-I189 PolarHBondContact O-N 3.23Å; Q187-V263 WeakPolarHBondContact O-CG2 3.11Å
188G93.9Very high88.1Confident42 Ų4248.7 Ų48.743%0.43327%0.266SS..THydrogen-bonded Turntrans82.13.1178.400000114.9
189I95.5Very high86.6Confident16 Ų1650.3 Ų50.38%0.08228%0.282CS..PPolyproline II helixtrans-65.9134.4167.4-55.7-72.1000108.7C178 L181 K182 L186 Q187 V263 L272C178-I189 HydrophobicContact CB-CG2 3.68Å; L181-I189 HydrophobicContact CB-CD1 4.1Å; L181-I189 HydrophobicContact CB-CG1 4.45Å; L181-I189 HydrophobicContact CD1-CD1 4.38Å; K182-I189 HydrophobicContact CB-CB 4.32Å; K182-I189 HydrophobicContact CB-CG2 4.33Å; L186-I189 HydrophobicContact CB-CD1 4.43Å; L186-I189 HydrophobicContact CB-CG1 4.08Å; L186-I189 WeakPolarHBondContact O-CG1 3.47Å; Q187-I189 VanDerWaalsContact C-N 3.3Å; Q187-I189 PolarHBondContact O-N 3.23Å; I189-V263 HydrophobicContact CD1-CB 4.36Å; I189-V263 HydrophobicContact CD1-CG1 3.63Å; I189-V263 HydrophobicContact CD1-CG2 3.7Å; I189-V263 HydrophobicContact CG1-CG1 4.48Å; I189-V263 HydrophobicContact CG1-CG2 4.16Å; I189-L272 HydrophobicContact CD1-CB 4.28Å; I189-L272 HydrophobicContact CD1-CD2 4.13Å
190R94.6Very high85.1Confident46 Ų4658 Ų5817%0.17432%0.318CS..PPolyproline II helixtrans-57.7158.5176.768.5-176.9-79.5164.2-0.1111.6I76 D77 Y271 L272I76-R190 VanDerWaalsContact C-NH2 3.28Å; I76-R190 PolarHBondContact O-NH2 3.45Å; D77-R190 IonicContact OD1-NH2 3.1Å; D77-R190 PolarHBondContact OD1-NH2 2.97Å; D77-R190 IonicContact OD2-CZ 3.45Å; D77-R190 IonicContact OD2-NH1 3.73Å; D77-R190 IonicContact OD2-NH2 3.02Å; D77-R190 PolarHBondContact OD2-NH2 3.46Å; R190-Y271 WeakPolarHBondContact CD-O 3.44Å; R190-L272 WeakPolarHBondContact CB-O 3.42Å; R190-L272 VanDerWaalsContact CG-O 3.3Å; R190-L272 WeakPolarHBondContact CG-O 3.37Å; R190-L272 PolarHBondContact N-O 3.26Å
191E92.1Very high83.5Confident163 Ų16360.8 Ų60.876%0.76234%0.335SS*.PPolyproline II helixtrans-69.3141.6171.6-64.4-170163.400110.9
192T90Very high82Confident24 Ų2465.7 Ų65.715%0.14737%0.37CS..  trans-114.7141.8170.348.30000109Y75 C178 I179 N194Y75-T192 CarbonylContact O-C 3.57Å; Y75-T192 VanDerWaalsContact O-CA 3.3Å; Y75-T192 WeakPolarHBondContact O-CA 3.49Å; C178-T192 HydrophobicContact CB-CG2 3.52Å; I179-T192 HydrophobicContact CG1-CG2 4.31Å; I179-T192 WeakPolarHBondContact CG1-OG1 3.5Å; T192-N194 PolarHBondContact O-N 3.2Å
193K86.8Confident80.7Confident110 Ų11061.5 Ų61.548%0.47835%0.352SS..EExtended strand (participates in β ladder)trans-82.4114.4172.9-63.6-176.2-178.8-178.10108.3G74 Y75 E78G74-K193 VanDerWaalsContact CA-O 3.32Å; G74-K193 WeakPolarHBondContact CA-O 3.31Å; Y75-K193 PolarHBondContact N-O 3.14Å; Y75-K193 PolarHBondContact O-N 3.5Å; E78-K193 IonicContact OE1-NZ 3.93Å
194N78.6Confident79.6Confident70 Ų7064.5 Ų64.537%0.37438%0.375SS..EExtended strand (participates in β ladder)trans-65.3149.8172.9-69.9-19.4000110.4T192 P196T192-N194 PolarHBondContact O-N 3.2Å; N194-P196 WeakPolarHBondContact O-CD 2.89Å
195I77.7Confident78.6Confident4 Ų465.8 Ų65.82%0.02138%0.382CS..  trans-73.1117.5171.8-58.4-176.6000108.2L25 L27 I73 Y75 W85 V197 L198L25-I195 HydrophobicContact CD2-CD1 3.27Å; L27-I195 HydrophobicContact CD1-CG2 3.96Å; L27-I195 HydrophobicContact CD2-CG2 3.57Å; L27-I195 HydrophobicContact CG-CG2 4.42Å; I73-I195 HydrophobicContact CB-CD1 4.03Å; I73-I195 HydrophobicContact CG2-CD1 3.49Å; I73-I195 VanDerWaalsContact CG2-CD1 3.49Å; Y75-I195 HydrophobicContact CD2-CG1 4.45Å; Y75-I195 HydrophobicContact CE2-CG1 4.04Å; W85-I195 HydrophobicContact CH2-CD1 3.59Å; W85-I195 HydrophobicContact CH2-CG1 4.33Å; W85-I195 HydrophobicContact CZ2-CD1 4.24Å; W85-I195 HydrophobicContact CZ3-CD1 3.84Å; I195-V197 PolarHBondContact O-N 3.46Å; I195-L198 HydrophobicContact CB-CD1 4.01Å; I195-L198 HydrophobicContact CB-CG 4.1Å; I195-L198 HydrophobicContact CD1-CD1 4.1Å; I195-L198 HydrophobicContact CG1-CD1 4.47Å; I195-L198 HydrophobicContact CG2-CD1 4.42Å; I195-L198 HydrophobicContact CG2-CG 4.17Å; I195-L198 PolarHBondContact O-N 3.11Å
196P71.1Confident77.8Confident120 Ų12068.3 Ų68.378%0.77939%0.386SS*.G310 helixtrans-55.2-33.4-170.1-29.135.7000114.5N194 L198N194-P196 WeakPolarHBondContact O-CD 2.89Å; P196-L198 PolarHBondContact O-N 3.04Å
197V71.1Confident76.9Confident45 Ų4573.6 Ų73.627%0.27342%0.415SS..G310 helixtrans-75.9-21.3-175.2-156.70000113.1I30 I38 I195I30-V197 HydrophobicContact CG2-CG1 4.01Å; I38-V197 HydrophobicContact CD1-CB 3.97Å; I38-V197 HydrophobicContact CD1-CG1 3.45Å; I38-V197 VanDerWaalsContact CD1-CG1 3.45Å; I195-V197 PolarHBondContact O-N 3.46Å
198L70.8Confident76Confident1 Ų171.6 Ų71.61%0.00541%0.409CS..G310 helixtrans-82.9-14.1-179.2-61.7-177.8000113.3P35 I38 V68 S71 I73 I195 P196P35-L198 WeakPolarHBondContact CB-O 3.47Å; P35-L198 WeakPolarHBondContact CG-O 3.48Å; I38-L198 HydrophobicContact CB-CD2 4.22Å; I38-L198 HydrophobicContact CD1-CD2 4.03Å; I38-L198 HydrophobicContact CG2-CD2 4.06Å; V68-L198 HydrophobicContact CG1-CD1 4.31Å; V68-L198 HydrophobicContact CG1-CD2 3.52Å; S71-L198 PolarHBondContact OG-O 3.34Å; I73-L198 HydrophobicContact CB-CD1 4.36Å; I195-L198 HydrophobicContact CB-CD1 4.01Å; I195-L198 HydrophobicContact CB-CG 4.1Å; I195-L198 HydrophobicContact CD1-CD1 4.1Å; I195-L198 HydrophobicContact CG1-CD1 4.47Å; I195-L198 HydrophobicContact CG2-CD1 4.42Å; I195-L198 HydrophobicContact CG2-CG 4.17Å; I195-L198 PolarHBondContact O-N 3.11Å; P196-L198 PolarHBondContact O-N 3.04Å
199G64Low75.2Confident34 Ų3470.2 Ų70.235%0.35139%0.391SS..  trans63.7-171.5-175.800000113.5S71S71-G199 PolarHBondContact OG-O 2.61Å
200Q62.4Low74.4Confident178 Ų17872.7 Ų72.783%0.83240%0.402SS*.  trans-102.674.3177.3-66.3-178-0.700109.9
201T59.6Low73.7Confident59 Ų5974.4 Ų74.436%0.36242%0.421SS..  trans-80.9119167-36.70000107.9K69K69-T201 VanDerWaalsContact O-CB 3.25Å; K69-T201 WeakPolarHBondContact O-CB 3.18Å; K69-T201 PolarHBondContact O-OG1 2.81Å; K69-T201 VanDerWaalsContact O-OG1 3.07Å
202S62.8Low73Confident103 Ų10367.8 Ų67.872%0.7239%0.392SS*.  trans-77.6129176-1770000110S204S202-S204 PolarHBondContact O-N 2.92Å; S202-S204 VanDerWaalsContact O-N 3.13Å
203L64.7Low72.7Confident14 Ų1466.9 Ų66.97%0.07339%0.387CS..  trans-64.7104.1164.7-81.6167.3000108.7S70 A72 L119 T183 L205S70-L203 WeakPolarHBondContact OG-CD2 3.32Å; A72-L203 HydrophobicContact CB-CD1 4.46Å; L119-L203 HydrophobicContact CD1-CD2 3.45Å; L119-L203 VanDerWaalsContact CD1-CD2 3.45Å; L119-L203 HydrophobicContact CD2-CD2 3.92Å; L119-L203 HydrophobicContact CG-CD2 4.27Å; T183-L203 HydrophobicContact CG2-CB 3.69Å; T183-L203 HydrophobicContact CG2-CD1 4.36Å; L203-L205 HydrophobicContact CB-CD2 3.89Å; L203-L205 HydrophobicContact CB-CG 4.16Å; L203-L205 HydrophobicContact CD2-CD2 4.21Å; L203-L205 PolarHBondContact O-N 3.47Å
204S68Low72.7Confident113 Ų11367.1 Ų67.179%0.7939%0.39SS*.  trans-77.5108.5166.4-172.80000108S202S202-S204 PolarHBondContact O-N 2.92Å; S202-S204 VanDerWaalsContact O-N 3.13Å
205L69.9Low73Confident30 Ų3065.4 Ų65.416%0.15738%0.383CS..  trans-101.4150.7-177.6-56.4-172.8000110.8I123 T183 L184 L203I123-L205 HydrophobicContact CD1-CD1 4.32Å; I123-L205 HydrophobicContact CD1-CD2 3.21Å; I123-L205 HydrophobicContact CD1-CG 4.36Å; I123-L205 HydrophobicContact CG1-CD2 4.36Å; T183-L205 HydrophobicContact CG2-CD1 4.09Å; T183-L205 HydrophobicContact CG2-CG 4.49Å; L184-L205 HydrophobicContact CD2-CD1 3.38Å; L184-L205 HydrophobicContact CG-CD1 3.91Å; L203-L205 HydrophobicContact CB-CD2 3.89Å; L203-L205 HydrophobicContact CB-CG 4.16Å; L203-L205 HydrophobicContact CD2-CD2 4.21Å; L203-L205 PolarHBondContact O-N 3.47Å
206D74Confident73.6Confident90 Ų9066.7 Ų66.748%0.48139%0.389SS..  trans-72.8142.3168.7-170.3-9.6000109.1N208 F209D206-N208 VanDerWaalsContact CG-ND2 3.28Å; D206-N208 PolarHBondContact O-N 3.34Å; D206-N208 PolarHBondContact OD1-ND2 2.91Å; D206-N208 PolarHBondContact OD2-ND2 3.47Å; D206-F209 PolarHBondContact O-N 3.46Å; D206-F209 VanDerWaalsContact O-N 3.12Å
207D73.7Confident74.7Confident124 Ų12461.1 Ų61.166%0.66335%0.352SS*.G310 helixtrans-57.1-23.2-178.8-71.2-29000112.2F209 H210D207-F209 PolarHBondContact O-N 3.06Å; D207-H210 PolarHBondContact O-N 2.81Å
208N74.9Confident75.7Confident117 Ų11759.1 Ų59.163%0.62634%0.341SS*.G310 helixtrans-55.6-22.5176.5-70.2-39.4000114.4D206 P212D206-N208 VanDerWaalsContact CG-ND2 3.28Å; D206-N208 PolarHBondContact O-N 3.34Å; D206-N208 PolarHBondContact OD1-ND2 2.91Å; D206-N208 PolarHBondContact OD2-ND2 3.47Å; N208-P212 WeakPolarHBondContact O-CD 3.14Å
209F76.2Confident76.6Confident14 Ų1461.1 Ų61.16%0.06136%0.361CS..G310 helixtrans-87.5-12.9177.4-68.7-74.7000114.7V120 I123 A124 V127 L184 D206 D207 P212V120-F209 HydrophobicContact CB-CE2 4.5Å; V120-F209 HydrophobicContact CB-CZ 4.02Å; V120-F209 HydrophobicContact CG1-CE2 4.43Å; V120-F209 HydrophobicContact CG1-CZ 3.72Å; V120-F209 HydrophobicContact CG2-CE2 4.14Å; V120-F209 HydrophobicContact CG2-CZ 4.16Å; V120-F209 WeakPolarHBondContact O-CZ 3.37Å; I123-F209 HydrophobicContact CB-CD1 4.34Å; I123-F209 HydrophobicContact CB-CE1 3.97Å; I123-F209 HydrophobicContact CB-CZ 4.07Å; I123-F209 HydrophobicContact CD1-CE2 4.31Å; I123-F209 HydrophobicContact CG2-CB 4.35Å; I123-F209 HydrophobicContact CG2-CD1 3.48Å; I123-F209 VanDerWaalsContact CG2-CD1 3.48Å; I123-F209 HydrophobicContact CG2-CD2 4.24Å; I123-F209 HydrophobicContact CG2-CE1 3.62Å; I123-F209 HydrophobicContact CG2-CE2 4.36Å; I123-F209 HydrophobicContact CG2-CG 3.78Å; I123-F209 HydrophobicContact CG2-CZ 4.04Å; A124-F209 HydrophobicContact CB-CE1 4.32Å; V127-F209 HydrophobicContact CG2-CD1 4.27Å; L184-F209 HydrophobicContact CD2-CB 3.4Å; L184-F209 HydrophobicContact CD2-CG 4.36Å; D206-F209 PolarHBondContact O-N 3.46Å; D206-F209 VanDerWaalsContact O-N 3.12Å; D207-F209 PolarHBondContact O-N 3.06Å; F209-P212 WeakPolarHBondContact O-CD 3.25Å
210H78.8Confident77.9Confident67 Ų6759.5 Ų59.531%0.3134%0.344SS..Hα-helixtrans-72.5-42.8178.9-72.5-61.3000111.9L184 D207 V213 E214L184-H210 PolarHBondContact O-CE1 3.08Å; L184-H210 PolarHBondContact O-ND1 3.41Å; D207-H210 PolarHBondContact O-N 2.81Å; H210-V213 WeakPolarHBondContact O-CG2 3.48Å; H210-V213 PolarHBondContact O-N 2.71Å; H210-V213 VanDerWaalsContact O-N 3.17Å; H210-E214 WeakPolarHBondContact O-CG 3.42Å; H210-E214 PolarHBondContact O-N 2.78Å
211S79.9Confident79.2Confident83 Ų8355.2 Ų55.258%0.5833%0.325SS*.Hα-helixtrans-60-42.5-178.8177.60000113.4V213 E214S211-V213 PolarHBondContact O-N 3.39Å; S211-E214 WeakPolarHBondContact O-CB 3.37Å; S211-E214 PolarHBondContact O-N 3.18Å; S211-E214 VanDerWaalsContact O-N 3.13Å
212P78.5Confident80.8Confident23 Ų2356.3 Ų56.315%0.14932%0.322CS..Hα-helixtrans-62.9-33.7174.9-28.837.3000115.2V127 Y144 N208 F209 E214 S215V127-P212 HydrophobicContact CG1-CB 3.3Å; V127-P212 HydrophobicContact CG1-CG 4.34Å; Y144-P212 HydrophobicContact CE2-CB 4.47Å; Y144-P212 HydrophobicContact CE2-CG 4.21Å; N208-P212 WeakPolarHBondContact O-CD 3.14Å; F209-P212 WeakPolarHBondContact O-CD 3.25Å; P212-E214 PolarHBondContact O-N 3.37Å; P212-S215 WeakPolarHBondContact O-CB 3.38Å; P212-S215 PolarHBondContact O-N 3.03Å; P212-S215 PolarHBondContact O-OG 2.81Å
213V84.1Confident82.2Confident5 Ų551.4 Ų51.43%0.0329%0.288CS..Hα-helixtrans-76.9-14.7175.7-64.10000112.7V127 W130 L184 L186 H210 S211 S215V127-V213 HydrophobicContact CG2-CG1 4.07Å; W130-V213 PolarHBondContact NE1-O 2.85Å; L184-V213 HydrophobicContact CB-CG1 4.02Å; L184-V213 HydrophobicContact CB-CG2 4.16Å; L184-V213 HydrophobicContact CD1-CG1 3.69Å; L184-V213 HydrophobicContact CG-CG1 4.4Å; L186-V213 HydrophobicContact CD1-CB 4.22Å; L186-V213 HydrophobicContact CD1-CG1 4.35Å; L186-V213 HydrophobicContact CD2-CB 4.24Å; L186-V213 HydrophobicContact CG-CB 4.14Å; H210-V213 WeakPolarHBondContact O-CG2 3.48Å; H210-V213 PolarHBondContact O-N 2.71Å; H210-V213 VanDerWaalsContact O-N 3.17Å; S211-V213 PolarHBondContact O-N 3.39Å; V213-S215 PolarHBondContact O-N 2.71Å
214E85.6Confident83.5Confident116 Ų11652.7 Ų52.754%0.54230%0.295SS..THydrogen-bonded Turntrans-74.1-10.8169.5-67.2178.2169.700113.6H210 S211 P212 R262H210-E214 WeakPolarHBondContact O-CG 3.42Å; H210-E214 PolarHBondContact O-N 2.78Å; S211-E214 WeakPolarHBondContact O-CB 3.37Å; S211-E214 PolarHBondContact O-N 3.18Å; S211-E214 VanDerWaalsContact O-N 3.13Å; P212-E214 PolarHBondContact O-N 3.37Å; E214-R262 PolarHBondContact O-NE 2.88Å; E214-R262 PolarHBondContact O-NH2 2.99Å
215S86Confident84.7Confident34 Ų3447.6 Ų47.624%0.23826%0.259CS..SBendtrans-67.5166.3173.881.30000112R131 P212 V213R131-S215 WeakPolarHBondContact CG-OG 3.35Å; P212-S215 WeakPolarHBondContact O-CB 3.38Å; P212-S215 PolarHBondContact O-N 3.03Å; P212-S215 PolarHBondContact O-OG 2.81Å; V213-S215 PolarHBondContact O-N 2.71Å
216F89.7Confident85.9Confident31 Ų3146.1 Ų46.114%0.13625%0.251CS..PPolyproline II helixtrans-58.1138.6170.8-82-82.5000111.1S220 L223 N224 R255 V258F216-S220 VanDerWaalsContact CB-OG 3.31Å; F216-S220 WeakPolarHBondContact CB-OG 3.44Å; F216-L223 HydrophobicContact CE1-CD2 4.2Å; F216-L223 HydrophobicContact CE1-CG 4.49Å; F216-N224 HydrophobicContact CB-CB 4.05Å; F216-N224 HydrophobicContact CD2-CB 3.61Å; F216-N224 VanDerWaalsContact CD2-CG 3.45Å; F216-N224 VanDerWaalsContact CD2-OD1 3.23Å; F216-N224 WeakPolarHBondContact CD2-OD1 3.22Å; F216-N224 HydrophobicContact CE2-CB 4.27Å; F216-N224 HydrophobicContact CG-CB 3.78Å; F216-R255 HydrophobicContact CE1-CG 4.23Å; F216-R255 HydrophobicContact CZ-CG 3.72Å; F216-V258 HydrophobicContact CD1-CG1 3.84Å; F216-V258 HydrophobicContact CE1-CB 4.33Å; F216-V258 HydrophobicContact CE1-CG1 3.89Å
217P93.9Very high86.8Confident2 Ų243.2 Ų43.21%0.01323%0.234CC..PPolyproline II helixtrans-67.2159.6175.829.8-37.3000111.4W130 G219 S220 V258 R262 H266W130-P217 HydrophobicContact CD2-CB 4.49Å; W130-P217 HydrophobicContact CH2-CB 3.76Å; W130-P217 HydrophobicContact CZ2-CB 3.71Å; W130-P217 HydrophobicContact CZ3-CB 4.16Å; W130-P217 CarbonylContact O-C 3.58Å; P217-G219 PolarHBondContact O-N 2.83Å; P217-S220 WeakPolarHBondContact CD-OG 3.29Å; P217-S220 WeakPolarHBondContact CG-OG 3.44Å; P217-S220 PolarHBondContact O-N 3.16Å; P217-S220 VanDerWaalsContact O-N 3.12Å; P217-S220 PolarHBondContact O-OG 2.93Å; P217-V258 HydrophobicContact CG-CG1 4.31Å; P217-R262 HydrophobicContact CG-CB 4.44Å; P217-R262 WeakPolarHBondContact CG-O 3.29Å; P217-H266 HydrophobicContact CB-CB 3.84Å
218A92.6Very high87.7Confident4 Ų440.6 Ų40.63%0.03322%0.218CC..THydrogen-bonded Turntrans-51.8138.9169.700000110.8W130 R131 T133 S220 H266 T267W130-A218 PolarHBondContact O-N 3.23Å; R131-A218 WeakPolarHBondContact O-CA 3.38Å; T133-A218 HydrophobicContact CG2-CB 3.78Å; A218-S220 VanDerWaalsContact C-N 3.35Å; A218-H266 WeakPolarHBondContact CB-NE2 3.27Å; A218-T267 PolarHBondContact O-N 3.44Å; A218-T267 VanDerWaalsContact O-N 3.11Å
219G89.9Confident88.7Confident42 Ų4235 Ų3543%0.43319%0.188SC..THydrogen-bonded Turntrans91-14.5-17500000115.1P217 T267P217-G219 PolarHBondContact O-N 2.83Å; G219-T267 VanDerWaalsContact CA-CG2 3.42Å
220S91.8Very high89.6Confident0 Ų035.5 Ų35.50%019%0.191CC..  trans-105.917.9179.169.10000113.7F216 P217 A218 R222 L223 N224 L280F216-S220 VanDerWaalsContact CB-OG 3.31Å; F216-S220 WeakPolarHBondContact CB-OG 3.44Å; P217-S220 WeakPolarHBondContact CD-OG 3.29Å; P217-S220 WeakPolarHBondContact CG-OG 3.44Å; P217-S220 PolarHBondContact O-N 3.16Å; P217-S220 VanDerWaalsContact O-N 3.12Å; P217-S220 PolarHBondContact O-OG 2.93Å; A218-S220 VanDerWaalsContact C-N 3.35Å; S220-R222 PolarHBondContact O-N 3.24Å; S220-L223 WeakPolarHBondContact O-CB 3.26Å; S220-L223 PolarHBondContact O-N 3.28Å; S220-N224 PolarHBondContact O-N 2.97Å; S220-L280 VanDerWaalsContact CB-CD1 3.46Å
221E89.7Confident90.3Very high89 Ų8937.2 Ų37.242%0.41620%0.199SC..Hα-helixtrans-62.6-41.8-177.1-170.8-175.4-175.600112.7L223 N224 V225 H309 H310E221-L223 VanDerWaalsContact C-N 3.32Å; E221-L223 PolarHBondContact O-N 2.67Å; E221-N224 WeakPolarHBondContact O-CB 3.36Å; E221-N224 PolarHBondContact O-N 2.8Å; E221-N224 VanDerWaalsContact O-N 3.1Å; E221-V225 HydrophobicContact CG-CG2 4.39Å; E221-V225 WeakPolarHBondContact O-CG2 3.39Å; E221-V225 PolarHBondContact O-N 3.21Å; E221-H309 IonicContact OE1-CE1 3.65Å; E221-H309 PolarHBondContact OE1-CE1 3.38Å; E221-H309 IonicContact OE1-ND1 3.12Å; E221-H309 IonicContact OE2-CE1 2.77Å; E221-H309 PolarHBondContact OE2-CE1 2.97Å; E221-H309 IonicContact OE2-NE2 2.63Å; E221-H309 PolarHBondContact OE2-NE2 3.3Å; E221-H310 VanDerWaalsContact CD-NE2 3.26Å; E221-H310 IonicContact OE1-NE2 3.17Å; E221-H310 IonicContact OE2-NE2 3.67Å; E221-H310 PolarHBondContact OE2-NE2 3.23Å; E221-H310 VanDerWaalsContact OE2-NE2 3.17Å
222R92.3Very high91.1Very high81 Ų8134.8 Ų34.831%0.30618%0.181SC..Hα-helixtrans-57.6-45.5176.1-76.4-177.5-175.4166.85111.7S220 N224 V225 S226 M285 V286 L289 H310S220-R222 PolarHBondContact O-N 3.24Å; R222-N224 VanDerWaalsContact C-N 3.32Å; R222-N224 PolarHBondContact O-N 3.33Å; R222-V225 PolarHBondContact O-N 2.9Å; R222-S226 WeakPolarHBondContact O-CB 3.48Å; R222-S226 PolarHBondContact O-N 3.45Å; R222-S226 PolarHBondContact O-OG 3Å; R222-S226 VanDerWaalsContact O-OG 3.05Å; R222-M285 HydrophobicContact CB-CB 3.81Å; R222-M285 HydrophobicContact CB-CG 4.47Å; R222-M285 HydrophobicContact CB-SD 3.99Å; R222-V286 VanDerWaalsContact NH1-CG2 3.28Å; R222-L289 HydrophobicContact CB-CD1 4.03Å; R222-L289 HydrophobicContact CG-CD1 3.9Å; R222-H310 VanDerWaalsContact CG-CE1 3.48Å; R222-H310 WeakPolarHBondContact CG-CE1 3.33Å; R222-H310 WeakPolarHBondContact CG-ND1 3.32Å
223L92.7Very high91.8Very high0 Ų033.7 Ų33.70%017%0.174CC..Hα-helixtrans-60.4-43.1175.1178.161.6000111.7F216 S220 E221 F227 L251 L254 R255 V258 M285F216-L223 HydrophobicContact CE1-CD2 4.2Å; F216-L223 HydrophobicContact CE1-CG 4.49Å; S220-L223 WeakPolarHBondContact O-CB 3.26Å; S220-L223 PolarHBondContact O-N 3.28Å; E221-L223 VanDerWaalsContact C-N 3.32Å; E221-L223 PolarHBondContact O-N 2.67Å; L223-F227 WeakPolarHBondContact O-CB 3.15Å; L223-F227 PolarHBondContact O-N 3.4Å; L223-L251 HydrophobicContact CD1-CD2 3.78Å; L223-L254 HydrophobicContact CD1-CB 4.5Å; L223-L254 HydrophobicContact CD1-CD2 4.19Å; L223-L254 HydrophobicContact CD1-CG 4.34Å; L223-L254 HydrophobicContact CD2-CD2 4.39Å; L223-L254 HydrophobicContact CD2-CG 4.08Å; L223-R255 HydrophobicContact CD1-CB 4.47Å; L223-V258 HydrophobicContact CD2-CB 4.16Å; L223-V258 HydrophobicContact CD2-CG2 3.68Å; L223-M285 HydrophobicContact CB-CG 4.17Å; L223-M285 HydrophobicContact CB-SD 3.96Å
224N92Very high92.3Very high42 Ų4236.8 Ų36.823%0.22520%0.196CC..Hα-helixtrans-62.2-48177.2-176.636.5000111.9F216 S220 E221 R222 F227 Q228F216-N224 HydrophobicContact CB-CB 4.05Å; F216-N224 HydrophobicContact CD2-CB 3.61Å; F216-N224 VanDerWaalsContact CD2-CG 3.45Å; F216-N224 VanDerWaalsContact CD2-OD1 3.23Å; F216-N224 WeakPolarHBondContact CD2-OD1 3.22Å; F216-N224 HydrophobicContact CE2-CB 4.27Å; F216-N224 HydrophobicContact CG-CB 3.78Å; S220-N224 PolarHBondContact O-N 2.97Å; E221-N224 WeakPolarHBondContact O-CB 3.36Å; E221-N224 PolarHBondContact O-N 2.8Å; E221-N224 VanDerWaalsContact O-N 3.1Å; R222-N224 VanDerWaalsContact C-N 3.32Å; R222-N224 PolarHBondContact O-N 3.33Å; N224-F227 PolarHBondContact O-N 3.32Å; N224-Q228 VanDerWaalsContact CG-NE2 3.31Å; N224-Q228 PolarHBondContact ND2-NE2 3.19Å; N224-Q228 VanDerWaalsContact ND2-NE2 3.13Å; N224-Q228 WeakPolarHBondContact O-CG 3.49Å; N224-Q228 PolarHBondContact O-N 3.45Å; N224-Q228 PolarHBondContact OD1-NE2 3.34Å
225V93.1Very high92.6Very high5 Ų537.3 Ų37.33%0.0321%0.206CC..Hα-helixtrans-61.2-48.6177.2170.20000110.6E221 R222 F227 Q228 I229 L305 T308 M311E221-V225 HydrophobicContact CG-CG2 4.39Å; E221-V225 WeakPolarHBondContact O-CG2 3.39Å; E221-V225 PolarHBondContact O-N 3.21Å; R222-V225 PolarHBondContact O-N 2.9Å; V225-F227 VanDerWaalsContact C-N 3.3Å; V225-F227 PolarHBondContact O-N 3.46Å; V225-Q228 PolarHBondContact O-N 2.83Å; V225-I229 HydrophobicContact CG1-CD1 3.88Å; V225-I229 HydrophobicContact CG1-CG1 4.47Å; V225-I229 WeakPolarHBondContact O-CG1 3.34Å; V225-I229 PolarHBondContact O-N 3.37Å; V225-L305 HydrophobicContact CG1-CD2 4.43Å; V225-T308 HydrophobicContact CG2-CG2 4.27Å; V225-M311 HydrophobicContact CG1-CE 3.89Å
226S94.2Very high92.9Very high0 Ų037.2 Ų37.20%020%0.203CC..Hα-helixtrans-53.4-48.8175.8-68.60000111.3R222 Q228 I229 I230 L289R222-S226 WeakPolarHBondContact O-CB 3.48Å; R222-S226 PolarHBondContact O-N 3.45Å; R222-S226 PolarHBondContact O-OG 3Å; R222-S226 VanDerWaalsContact O-OG 3.05Å; S226-Q228 PolarHBondContact O-N 3.25Å; S226-I229 PolarHBondContact O-N 3.31Å; S226-I230 VanDerWaalsContact O-CG1 3.23Å; S226-I230 WeakPolarHBondContact O-CG1 3.41Å; S226-I230 PolarHBondContact O-N 2.74Å; S226-L289 WeakPolarHBondContact OG-CD2 3.45Å
227F92.8Very high93.1Very high29 Ų2942.1 Ų42.113%0.12723%0.227CC..Hα-helixtrans-65.7-40.4-178.8-170.9-98.2000113L223 N224 V225 I229 I230 Q231 R255L223-F227 WeakPolarHBondContact O-CB 3.15Å; L223-F227 PolarHBondContact O-N 3.4Å; N224-F227 PolarHBondContact O-N 3.32Å; V225-F227 VanDerWaalsContact C-N 3.3Å; V225-F227 PolarHBondContact O-N 3.46Å; F227-I229 VanDerWaalsContact C-N 3.31Å; F227-I229 PolarHBondContact O-N 2.97Å; F227-I230 WeakPolarHBondContact O-CB 3.5Å; F227-I230 PolarHBondContact O-N 3.02Å; F227-Q231 HydrophobicContact CD1-CG 4.04Å; F227-Q231 VanDerWaalsContact CE1-CD 3.44Å; F227-Q231 HydrophobicContact CE1-CG 3.66Å; F227-Q231 HydrophobicContact CZ-CG 4.17Å; F227-Q231 WeakPolarHBondContact O-CG 2.88Å; F227-Q231 PolarHBondContact O-N 3.23Å; F227-R255 VanDerWaalsContact CD1-CD 3.5Å; F227-R255 VanDerWaalsContact CD1-NE 3.26Å; F227-R255 HydrophobicContact CD2-CG 4.44Å; F227-R255 VanDerWaalsContact CE1-NE 3.3Å; F227-R255 VanDerWaalsContact CE2-CD 3.44Å; F227-R255 VanDerWaalsContact CZ-CZ 3.41Å
228Q93.6Very high93.1Very high69 Ų6942.2 Ų42.232%0.32223%0.227SC..Hα-helixtrans-63.6-38.6176.1-70.4-179.747.700111.4N224 V225 S226 Q231 V232 L305N224-Q228 VanDerWaalsContact CG-NE2 3.31Å; N224-Q228 PolarHBondContact ND2-NE2 3.19Å; N224-Q228 VanDerWaalsContact ND2-NE2 3.13Å; N224-Q228 WeakPolarHBondContact O-CG 3.49Å; N224-Q228 PolarHBondContact O-N 3.45Å; N224-Q228 PolarHBondContact OD1-NE2 3.34Å; V225-Q228 PolarHBondContact O-N 2.83Å; S226-Q228 PolarHBondContact O-N 3.25Å; Q228-Q231 WeakPolarHBondContact O-CB 3.24Å; Q228-Q231 PolarHBondContact O-N 2.76Å; Q228-V232 PolarHBondContact O-N 2.93Å; Q228-L305 HydrophobicContact CB-CD1 3.6Å; Q228-L305 HydrophobicContact CB-CD2 3.88Å; Q228-L305 HydrophobicContact CB-CG 4.35Å
229I95.4Very high93.2Very high0 Ų044 Ų440%024%0.237CC..Hα-helixtrans-66.1-40173.5-59.9167.9000110.5V225 S226 F227 Q231 V232 L233 L292 F295 I296 L305 M311V225-I229 HydrophobicContact CG1-CD1 3.88Å; V225-I229 HydrophobicContact CG1-CG1 4.47Å; V225-I229 WeakPolarHBondContact O-CG1 3.34Å; V225-I229 PolarHBondContact O-N 3.37Å; S226-I229 PolarHBondContact O-N 3.31Å; F227-I229 VanDerWaalsContact C-N 3.31Å; F227-I229 PolarHBondContact O-N 2.97Å; I229-Q231 VanDerWaalsContact C-N 3.27Å; I229-Q231 PolarHBondContact O-N 3.32Å; I229-V232 CarbonylContact O-C 3.56Å; I229-V232 WeakPolarHBondContact O-CB 3.48Å; I229-V232 PolarHBondContact O-N 2.94Å; I229-V232 VanDerWaalsContact O-N 3.07Å; I229-L233 WeakPolarHBondContact O-CB 3.22Å; I229-L233 PolarHBondContact O-N 3.37Å; I229-L292 HydrophobicContact CB-CB 4.34Å; I229-L292 HydrophobicContact CB-CD2 4.45Å; I229-L292 HydrophobicContact CD1-CB 4.16Å; I229-L292 HydrophobicContact CG2-CB 3.89Å; I229-L292 HydrophobicContact CG2-CD2 3.9Å; I229-L292 HydrophobicContact CG2-CG 4.38Å; I229-F295 HydrophobicContact CG2-CD1 3.82Å; I229-F295 HydrophobicContact CG2-CE1 4.34Å; I229-I296 HydrophobicContact CD1-CB 4.45Å; I229-I296 HydrophobicContact CD1-CG2 4.18Å; I229-I296 HydrophobicContact CG1-CB 4.41Å; I229-I296 HydrophobicContact CG1-CD1 4.48Å; I229-I296 HydrophobicContact CG1-CG1 4.44Å; I229-I296 HydrophobicContact CG2-CB 4.09Å; I229-I296 HydrophobicContact CG2-CD1 4.32Å; I229-L305 HydrophobicContact CG1-CB 4.27Å; I229-L305 HydrophobicContact CG1-CD1 3.78Å; I229-L305 HydrophobicContact CG1-CG 4.5Å; I229-M311 HydrophobicContact CD1-CE 3.71Å; I229-M311 HydrophobicContact CD1-SD 3.99Å
230I94.6Very high93.3Very high23 Ų2350.3 Ų50.312%0.11826%0.255CS..Hα-helixtrans-60.1-37.5175.6-70.3166.6000111.4S226 F227 V232 L233 S234 L248 L251 L292S226-I230 VanDerWaalsContact O-CG1 3.23Å; S226-I230 WeakPolarHBondContact O-CG1 3.41Å; S226-I230 PolarHBondContact O-N 2.74Å; F227-I230 WeakPolarHBondContact O-CB 3.5Å; F227-I230 PolarHBondContact O-N 3.02Å; I230-V232 VanDerWaalsContact C-N 3.3Å; I230-V232 PolarHBondContact O-N 2.64Å; I230-L233 PolarHBondContact O-N 2.91Å; I230-S234 WeakPolarHBondContact O-CB 3.47Å; I230-S234 PolarHBondContact O-N 3.39Å; I230-L248 HydrophobicContact CD1-CD2 3.79Å; I230-L248 HydrophobicContact CG1-CD2 3.88Å; I230-L251 HydrophobicContact CD1-CB 4.28Å; I230-L251 HydrophobicContact CD1-CD1 3.87Å; I230-L292 HydrophobicContact CD1-CD1 4.33Å; I230-L292 HydrophobicContact CG1-CD1 4.06Å; I230-L292 HydrophobicContact CG1-CD2 3.93Å
231Q94.6Very high93.4Very high103 Ų10358.5 Ų58.548%0.48129%0.286SS..Hα-helixtrans-64.2-35.8174.8-70.2178.7-57.500112.4F227 Q228 I229 S234F227-Q231 HydrophobicContact CD1-CG 4.04Å; F227-Q231 VanDerWaalsContact CE1-CD 3.44Å; F227-Q231 HydrophobicContact CE1-CG 3.66Å; F227-Q231 HydrophobicContact CZ-CG 4.17Å; F227-Q231 WeakPolarHBondContact O-CG 2.88Å; F227-Q231 PolarHBondContact O-N 3.23Å; Q228-Q231 WeakPolarHBondContact O-CB 3.24Å; Q228-Q231 PolarHBondContact O-N 2.76Å; I229-Q231 VanDerWaalsContact C-N 3.27Å; I229-Q231 PolarHBondContact O-N 3.32Å; Q231-S234 PolarHBondContact O-OG 3.26Å
232V95.2Very high93.7Very high32 Ų3254.7 Ų54.719%0.19427%0.268CS..Hα-helixtrans-72.3-41.2173.9-179.80000110.8Q228 I229 I230 V235 F295 I296 C300Q228-V232 PolarHBondContact O-N 2.93Å; I229-V232 CarbonylContact O-C 3.56Å; I229-V232 WeakPolarHBondContact O-CB 3.48Å; I229-V232 PolarHBondContact O-N 2.94Å; I229-V232 VanDerWaalsContact O-N 3.07Å; I230-V232 VanDerWaalsContact C-N 3.3Å; I230-V232 PolarHBondContact O-N 2.64Å; V232-V235 WeakPolarHBondContact O-CG2 3.27Å; V232-F295 HydrophobicContact CB-CE1 4.36Å; V232-F295 HydrophobicContact CG1-CE1 4.04Å; V232-F295 HydrophobicContact CG1-CZ 4.32Å; V232-I296 HydrophobicContact CB-CD1 4.46Å; V232-I296 HydrophobicContact CG1-CD1 4.22Å; V232-C300 WeakPolarHBondContact CG1-SG 3.46Å
233L94.7Very high93.8Very high0 Ų052.6 Ų52.60%027%0.265CS..Hα-helixtrans-63.8-39.8177.3177.363.8000111.9I229 I230 V235 N236 V239 F242 L248 L292 F295I229-L233 WeakPolarHBondContact O-CB 3.22Å; I229-L233 PolarHBondContact O-N 3.37Å; I230-L233 PolarHBondContact O-N 2.91Å; L233-V235 PolarHBondContact O-N 3Å; L233-V235 VanDerWaalsContact O-N 3.14Å; L233-N236 WeakPolarHBondContact O-CA 3.19Å; L233-N236 VanDerWaalsContact O-CB 3.3Å; L233-N236 WeakPolarHBondContact O-CB 3.39Å; L233-N236 PolarHBondContact O-N 3.45Å; L233-V239 HydrophobicContact CD1-CB 4.34Å; L233-V239 HydrophobicContact CG-CB 4.24Å; L233-V239 HydrophobicContact CG-CG2 4.2Å; L233-V239 WeakPolarHBondContact O-CB 3.49Å; L233-F242 HydrophobicContact CD2-CB 4.28Å; L233-F242 HydrophobicContact CD2-CD2 3.48Å; L233-F242 VanDerWaalsContact CD2-CD2 3.48Å; L233-F242 HydrophobicContact CD2-CE2 3.97Å; L233-F242 HydrophobicContact CD2-CG 3.92Å; L233-L248 HydrophobicContact CD2-CD1 4.1Å; L233-L292 HydrophobicContact CD2-CD2 4.06Å; L233-F295 HydrophobicContact CB-CD1 4.09Å; L233-F295 HydrophobicContact CB-CE1 3.7Å; L233-F295 HydrophobicContact CB-CZ 3.98Å; L233-F295 HydrophobicContact CD1-CD1 4.17Å; L233-F295 HydrophobicContact CD1-CD2 3.62Å; L233-F295 HydrophobicContact CD1-CE1 4.1Å; L233-F295 HydrophobicContact CD1-CE2 3.53Å; L233-F295 HydrophobicContact CD1-CG 3.95Å; L233-F295 HydrophobicContact CD1-CZ 3.79Å
234S93.2Very high93.7Very high71 Ų7153.7 Ų53.750%0.49728%0.276SS..THydrogen-bonded Turntrans-63.7-22.8-172.470.30000114.2I230 Q231I230-S234 WeakPolarHBondContact O-CB 3.47Å; I230-S234 PolarHBondContact O-N 3.39Å; Q231-S234 PolarHBondContact O-OG 3.26Å
235V92.7Very high93.6Very high126 Ų12654.2 Ų54.276%0.76429%0.286SS*.THydrogen-bonded Turntrans-99.12.7175.1-60.50000112.7V232 L233V232-V235 WeakPolarHBondContact O-CG2 3.27Å; L233-V235 PolarHBondContact O-N 3Å; L233-V235 VanDerWaalsContact O-N 3.14Å
236N93.4Very high93.5Very high33 Ų3359.9 Ų59.918%0.17631%0.313CS..SBendtrans-99144.1179.4-167.5-75.1000111.4L233 L238 V239 F295L233-N236 WeakPolarHBondContact O-CA 3.19Å; L233-N236 VanDerWaalsContact O-CB 3.3Å; L233-N236 WeakPolarHBondContact O-CB 3.39Å; L233-N236 PolarHBondContact O-N 3.45Å; N236-L238 PolarHBondContact O-N 2.8Å; N236-L238 VanDerWaalsContact O-N 3.12Å; N236-L238 WeakPolarHBondContact OD1-CB 3.23Å; N236-L238 PolarHBondContact OD1-N 3.13Å; N236-V239 WeakPolarHBondContact O-CB 3.48Å; N236-V239 VanDerWaalsContact O-CG1 3.28Å; N236-V239 WeakPolarHBondContact O-CG1 3.22Å; N236-V239 PolarHBondContact O-N 3.01Å; N236-V239 VanDerWaalsContact O-N 3.09Å; N236-F295 HydrophobicContact CB-CE2 3.91Å; N236-F295 HydrophobicContact CB-CZ 3.81Å
237E92.1Very high93.4Very high134 Ų13461.4 Ų61.463%0.62632%0.32SS*.G310 helixtrans-59.9-23.9179.363.4179.4-171.500113.9V239E237-V239 VanDerWaalsContact C-N 3.27Å; E237-V239 PolarHBondContact O-N 3.27Å
238L94.4Very high93.3Very high3 Ų361.1 Ų61.12%0.01632%0.32CS..G310 helixtrans-74-10.8178.2-71.2-175.9000114.1N236 H240 R241 F242 F295 M299 W333 I336 T340N236-L238 PolarHBondContact O-N 2.8Å; N236-L238 VanDerWaalsContact O-N 3.12Å; N236-L238 WeakPolarHBondContact OD1-CB 3.23Å; N236-L238 PolarHBondContact OD1-N 3.13Å; L238-H240 PolarHBondContact O-N 3.44Å; L238-R241 CarbonylContact O-C 3.6Å; L238-R241 WeakPolarHBondContact O-CA 3.47Å; L238-R241 PolarHBondContact O-N 3.04Å; L238-F242 PolarHBondContact O-N 2.94Å; L238-F295 HydrophobicContact CD1-CD2 4.42Å; L238-M299 HydrophobicContact CD1-CE 4.07Å; L238-M299 HydrophobicContact CD1-CG 3.8Å; L238-M299 HydrophobicContact CD1-SD 3.67Å; L238-W333 HydrophobicContact CB-CH2 4.04Å; L238-I336 HydrophobicContact CD2-CG2 4.26Å; L238-T340 HydrophobicContact CD1-CG2 4.13Å; L238-T340 HydrophobicContact CD2-CG2 4.04Å; L238-T340 HydrophobicContact CG-CG2 4.14Å
239V94.3Very high93.2Very high41 Ų4163.5 Ų63.525%0.24833%0.334CS..G310 helixtrans-54.7-3817969.70000112.4L233 N236 E237 R241 F242L233-V239 HydrophobicContact CD1-CB 4.34Å; L233-V239 HydrophobicContact CG-CB 4.24Å; L233-V239 HydrophobicContact CG-CG2 4.2Å; L233-V239 WeakPolarHBondContact O-CB 3.49Å; N236-V239 WeakPolarHBondContact O-CB 3.48Å; N236-V239 VanDerWaalsContact O-CG1 3.28Å; N236-V239 WeakPolarHBondContact O-CG1 3.22Å; N236-V239 PolarHBondContact O-N 3.01Å; N236-V239 VanDerWaalsContact O-N 3.09Å; E237-V239 VanDerWaalsContact C-N 3.27Å; E237-V239 PolarHBondContact O-N 3.27Å; V239-R241 PolarHBondContact O-N 2.7Å; V239-F242 WeakPolarHBondContact O-CB 3.3Å; V239-F242 PolarHBondContact O-N 3.27Å
240H92.7Very high92.9Very high175 Ų17571.2 Ų71.281%0.8136%0.364SS*.G310 helixtrans-71.3-14.1179.3-58.3-58.4000113.8L238L238-H240 PolarHBondContact O-N 3.44Å
241R94.3Very high92.8Very high172 Ų17270.4 Ų70.465%0.64936%0.359SS*.G310 helixtrans-106.7-0178.9-61.5-174.6178.7-175.5-0.2112.3L238 V239 P243 W333L238-R241 CarbonylContact O-C 3.6Å; L238-R241 WeakPolarHBondContact O-CA 3.47Å; L238-R241 PolarHBondContact O-N 3.04Å; V239-R241 PolarHBondContact O-N 2.7Å; R241-P243 VanDerWaalsContact O-CD 3.32Å; R241-P243 WeakPolarHBondContact O-CD 3.43Å; R241-W333 HydrophobicContact CB-CH2 4.46Å; R241-W333 HydrophobicContact CB-CZ3 3.95Å; R241-W333 WeakPolarHBondContact O-CZ3 3.44Å
242F95Very high92.6Very high10 Ų1067.4 Ų67.44%0.04435%0.352CS..  trans-63.2120.4-177.6-174.4-92000110.3L233 L238 V239 G244 L248 R291 L292 W333L233-F242 HydrophobicContact CD2-CB 4.28Å; L233-F242 HydrophobicContact CD2-CD2 3.48Å; L233-F242 VanDerWaalsContact CD2-CD2 3.48Å; L233-F242 HydrophobicContact CD2-CE2 3.97Å; L233-F242 HydrophobicContact CD2-CG 3.92Å; L238-F242 PolarHBondContact O-N 2.94Å; V239-F242 WeakPolarHBondContact O-CB 3.3Å; V239-F242 PolarHBondContact O-N 3.27Å; F242-G244 PolarHBondContact O-N 2.99Å; F242-L248 HydrophobicContact CD1-CD1 3.65Å; F242-L248 HydrophobicContact CD1-CD2 4.01Å; F242-L248 HydrophobicContact CD1-CG 3.81Å; F242-L248 HydrophobicContact CE1-CD1 4.01Å; F242-L248 HydrophobicContact CE1-CD2 3.45Å; F242-L248 VanDerWaalsContact CE1-CD2 3.45Å; F242-L248 HydrophobicContact CE1-CG 3.7Å; F242-L248 HydrophobicContact CG-CD1 4.08Å; F242-L248 HydrophobicContact CZ-CD2 3.78Å; F242-L248 HydrophobicContact CZ-CG 4.48Å; F242-R291 HydrophobicContact CE2-CB 3.79Å; F242-R291 HydrophobicContact CZ-CB 3.73Å; F242-L292 HydrophobicContact CE2-CD2 3.78Å; F242-L292 HydrophobicContact CE2-CG 4.3Å; F242-L292 HydrophobicContact CZ-CD2 4.01Å; F242-L292 HydrophobicContact CZ-CG 4.24Å; F242-W333 HydrophobicContact CB-CH2 4.4Å; F242-W333 HydrophobicContact CD2-CH2 4.42Å; F242-W333 AromaticContact CD2-CZ2 3.77Å; F242-W333 HydrophobicContact CD2-CZ2 3.77Å
243P94.4Very high92.4Very high37 Ų3771.4 Ų71.424%0.2437%0.369CS..SBendtrans-71.1127.8179.619.4-22.6000110.8R241 R291 W333R241-P243 VanDerWaalsContact O-CD 3.32Å; R241-P243 WeakPolarHBondContact O-CD 3.43Å; P243-R291 HydrophobicContact CG-CG 4.36Å; P243-R291 WeakPolarHBondContact O-CD 3.29Å; P243-R291 PolarHBondContact O-NH1 2.86Å; P243-W333 VanDerWaalsContact CD-CD2 3.48Å; P243-W333 VanDerWaalsContact CD-CE3 3.48Å; P243-W333 HydrophobicContact CG-CB 3.97Å; P243-W333 HydrophobicContact CG-CD2 3.91Å; P243-W333 HydrophobicContact CG-CE3 4.12Å; P243-W333 HydrophobicContact CG-CG 3.84Å
244G91.8Very high92.3Very high23 Ų2372.5 Ų72.524%0.23738%0.375CS..  trans79.651-179.400000113.1F242 E246 D247F242-G244 PolarHBondContact O-N 2.99Å; G244-E246 PolarHBondContact O-N 2.95Å; G244-E246 VanDerWaalsContact O-N 3.16Å; G244-D247 WeakPolarHBondContact O-CB 3.24Å; G244-D247 PolarHBondContact O-N 3.17Å
245A89.9Confident92.3Very high52 Ų5273 Ų7343%0.4337%0.366SS..Hα-helixtrans-57.7-27.3179.400000113D247 L248 L249A245-D247 PolarHBondContact O-N 3.07Å; A245-L248 WeakPolarHBondContact O-CB 3.47Å; A245-L248 PolarHBondContact O-N 3.17Å; A245-L248 VanDerWaalsContact O-N 3.15Å; A245-L249 PolarHBondContact O-N 3.35Å
246E91.2Very high92.3Very high125 Ų12569.8 Ų69.858%0.58435%0.349SS*.Hα-helixtrans-60.5-33.1174.5-59.779.8-173.400112.2G244 L248 L249 R250G244-E246 PolarHBondContact O-N 2.95Å; G244-E246 VanDerWaalsContact O-N 3.16Å; E246-L248 VanDerWaalsContact C-N 3.29Å; E246-L248 PolarHBondContact O-N 3.29Å; E246-L249 WeakPolarHBondContact O-CB 3.23Å; E246-L249 PolarHBondContact O-N 3.3Å; E246-R250 WeakPolarHBondContact O-CG 3.15Å; E246-R250 PolarHBondContact O-N 2.88Å; E246-R250 VanDerWaalsContact O-N 3.07Å
247D90.7Very high92.3Very high31 Ų3173.6 Ų73.617%0.16636%0.364CS..Hα-helixtrans-68.9-31.4178.4-60.8-36.9000111.4G244 A245 L249 R250 L251 V288 R291G244-D247 WeakPolarHBondContact O-CB 3.24Å; G244-D247 PolarHBondContact O-N 3.17Å; A245-D247 PolarHBondContact O-N 3.07Å; D247-L249 VanDerWaalsContact C-N 3.34Å; D247-R250 PolarHBondContact O-N 3.07Å; D247-R250 IonicContact OD1-NH1 3.72Å; D247-R250 PolarHBondContact OD1-NH1 2.89Å; D247-L251 WeakPolarHBondContact O-CD1 3.49Å; D247-L251 WeakPolarHBondContact O-CG 3.23Å; D247-L251 PolarHBondContact O-N 2.8Å; D247-V288 HydrophobicContact CB-CG1 3.49Å; D247-V288 VanDerWaalsContact CB-CG1 3.49Å; D247-R291 IonicContact OD2-CZ 3.67Å; D247-R291 IonicContact OD2-NH1 3.71Å; D247-R291 IonicContact OD2-NH2 2.75Å; D247-R291 PolarHBondContact OD2-NH2 3.34Å
248L91.4Very high92.3Very high24 Ų2467.2 Ų67.213%0.12633%0.334CS..Hα-helixtrans-65.3-39.5174.2-55.4-171.3000111.6I230 L233 F242 A245 E246 L251 A252 L292I230-L248 HydrophobicContact CD1-CD2 3.79Å; I230-L248 HydrophobicContact CG1-CD2 3.88Å; L233-L248 HydrophobicContact CD2-CD1 4.1Å; F242-L248 HydrophobicContact CD1-CD1 3.65Å; F242-L248 HydrophobicContact CD1-CD2 4.01Å; F242-L248 HydrophobicContact CD1-CG 3.81Å; F242-L248 HydrophobicContact CE1-CD1 4.01Å; F242-L248 HydrophobicContact CE1-CD2 3.45Å; F242-L248 VanDerWaalsContact CE1-CD2 3.45Å; F242-L248 HydrophobicContact CE1-CG 3.7Å; F242-L248 HydrophobicContact CG-CD1 4.08Å; F242-L248 HydrophobicContact CZ-CD2 3.78Å; F242-L248 HydrophobicContact CZ-CG 4.48Å; A245-L248 WeakPolarHBondContact O-CB 3.47Å; A245-L248 PolarHBondContact O-N 3.17Å; A245-L248 VanDerWaalsContact O-N 3.15Å; E246-L248 VanDerWaalsContact C-N 3.29Å; E246-L248 PolarHBondContact O-N 3.29Å; L248-L251 PolarHBondContact O-N 2.81Å; L248-A252 PolarHBondContact O-N 3.22Å; L248-A252 VanDerWaalsContact O-N 3.08Å; L248-L292 HydrophobicContact CD2-CD2 4.39Å
249L90.2Very high92.2Very high118 Ų11869 Ų6962%0.61835%0.349SS*.Hα-helixtrans-65.1-45.1175.7-65.3174.6000111A245 E246 D247 L251 A252 E253A245-L249 PolarHBondContact O-N 3.35Å; E246-L249 WeakPolarHBondContact O-CB 3.23Å; E246-L249 PolarHBondContact O-N 3.3Å; D247-L249 VanDerWaalsContact C-N 3.34Å; L249-L251 VanDerWaalsContact C-N 3.3Å; L249-L251 PolarHBondContact O-N 2.73Å; L249-A252 WeakPolarHBondContact O-CB 3.44Å; L249-A252 PolarHBondContact O-N 2.88Å; L249-A252 VanDerWaalsContact O-N 3.11Å; L249-E253 PolarHBondContact O-N 3.13Å
250R90.7Very high92.1Very high163 Ų16375.2 Ų75.262%0.61537%0.373SS*.Hα-helixtrans-58.2-41.1176.5-71.1173.3178.3170.3-5112.2E246 D247 E253 L254E246-R250 WeakPolarHBondContact O-CG 3.15Å; E246-R250 PolarHBondContact O-N 2.88Å; E246-R250 VanDerWaalsContact O-N 3.07Å; D247-R250 PolarHBondContact O-N 3.07Å; D247-R250 IonicContact OD1-NH1 3.72Å; D247-R250 PolarHBondContact OD1-NH1 2.89Å; R250-E253 PolarHBondContact O-N 3.24Å; R250-L254 WeakPolarHBondContact O-CB 3.49Å; R250-L254 PolarHBondContact O-N 3.22Å
251L91Very high92Very high5 Ų571 Ų713%0.02636%0.356CS..Hα-helixtrans-67.3-37.4175.8-72.7161.7000113.1L223 I230 D247 L248 L249 E253 L254 R255 V288L223-L251 HydrophobicContact CD1-CD2 3.78Å; I230-L251 HydrophobicContact CD1-CB 4.28Å; I230-L251 HydrophobicContact CD1-CD1 3.87Å; D247-L251 WeakPolarHBondContact O-CD1 3.49Å; D247-L251 WeakPolarHBondContact O-CG 3.23Å; D247-L251 PolarHBondContact O-N 2.8Å; L248-L251 PolarHBondContact O-N 2.81Å; L249-L251 VanDerWaalsContact C-N 3.3Å; L249-L251 PolarHBondContact O-N 2.73Å; L251-E253 VanDerWaalsContact C-N 3.31Å; L251-L254 PolarHBondContact O-N 3.25Å; L251-R255 WeakPolarHBondContact O-CB 3.27Å; L251-R255 PolarHBondContact O-N 3.32Å; L251-V288 HydrophobicContact CD1-CB 3.83Å; L251-V288 HydrophobicContact CD1-CG1 3.53Å; L251-V288 HydrophobicContact CD1-CG2 3.2Å; L251-V288 HydrophobicContact CD2-CG2 4.37Å; L251-V288 HydrophobicContact CG-CG2 4.34Å
252A91Very high92Very high40 Ų4066.2 Ų66.233%0.33134%0.338SS..Hα-helixtrans-63.8-39.4175.100000111.4L248 L249 S256L248-A252 PolarHBondContact O-N 3.22Å; L248-A252 VanDerWaalsContact O-N 3.08Å; L249-A252 WeakPolarHBondContact O-CB 3.44Å; L249-A252 PolarHBondContact O-N 2.88Å; L249-A252 VanDerWaalsContact O-N 3.11Å; A252-S256 WeakPolarHBondContact O-CB 3.36Å; A252-S256 PolarHBondContact O-N 3.47Å; A252-S256 PolarHBondContact O-OG 3.07Å
253E92Very high92Very high117 Ų11765.8 Ų65.855%0.54734%0.336SS..Hα-helixtrans-65.5-47.8173.1-69.9178.9-173.700111.9L249 R250 L251 R255 S256 K257L249-E253 PolarHBondContact O-N 3.13Å; R250-E253 PolarHBondContact O-N 3.24Å; L251-E253 VanDerWaalsContact C-N 3.31Å; E253-R255 VanDerWaalsContact C-N 3.34Å; E253-R255 PolarHBondContact O-N 2.92Å; E253-S256 WeakPolarHBondContact O-CB 3.21Å; E253-S256 PolarHBondContact O-N 2.96Å; E253-S256 VanDerWaalsContact O-N 3.09Å; E253-K257 WeakPolarHBondContact O-CG 3.44Å; E253-K257 PolarHBondContact O-N 3.38Å
254L92.2Very high92Very high23 Ų2366.2 Ų66.212%0.1234%0.335CS..Hα-helixtrans-59.8-45.4177.9-176.259.3000111.1L223 R250 L251 S256 K257 V258 L280 D284L223-L254 HydrophobicContact CD1-CB 4.5Å; L223-L254 HydrophobicContact CD1-CD2 4.19Å; L223-L254 HydrophobicContact CD1-CG 4.34Å; L223-L254 HydrophobicContact CD2-CD2 4.39Å; L223-L254 HydrophobicContact CD2-CG 4.08Å; R250-L254 WeakPolarHBondContact O-CB 3.49Å; R250-L254 PolarHBondContact O-N 3.22Å; L251-L254 PolarHBondContact O-N 3.25Å; L254-S256 VanDerWaalsContact C-N 3.28Å; L254-S256 PolarHBondContact O-N 3.42Å; L254-K257 WeakPolarHBondContact O-CB 3.27Å; L254-K257 PolarHBondContact O-N 2.95Å; L254-K257 VanDerWaalsContact O-N 3.13Å; L254-V258 WeakPolarHBondContact O-CG2 3.39Å; L254-V258 PolarHBondContact O-N 3.39Å; L254-L280 HydrophobicContact CD1-CD2 3.71Å; L254-L280 HydrophobicContact CD2-CD2 4.21Å; L254-L280 HydrophobicContact CG-CD2 4.15Å; L254-D284 HydrophobicContact CD2-CB 3.89Å
255R92.5Very high92.1Very high81 Ų8167 Ų6731%0.30633%0.331SS..Hα-helixtrans-54.2-46.7172.3177.2171.5177.6-99.64.2111.7F216 L223 F227 L251 E253 K257 V258 A259F216-R255 HydrophobicContact CE1-CG 4.23Å; F216-R255 HydrophobicContact CZ-CG 3.72Å; L223-R255 HydrophobicContact CD1-CB 4.47Å; F227-R255 VanDerWaalsContact CD1-CD 3.5Å; F227-R255 VanDerWaalsContact CD1-NE 3.26Å; F227-R255 HydrophobicContact CD2-CG 4.44Å; F227-R255 VanDerWaalsContact CE1-NE 3.3Å; F227-R255 VanDerWaalsContact CE2-CD 3.44Å; F227-R255 VanDerWaalsContact CZ-CZ 3.41Å; L251-R255 WeakPolarHBondContact O-CB 3.27Å; L251-R255 PolarHBondContact O-N 3.32Å; E253-R255 VanDerWaalsContact C-N 3.34Å; E253-R255 PolarHBondContact O-N 2.92Å; R255-K257 VanDerWaalsContact C-N 3.3Å; R255-K257 PolarHBondContact O-N 3.43Å; R255-V258 PolarHBondContact O-N 3.06Å; R255-A259 VanDerWaalsContact O-CB 3.3Å; R255-A259 WeakPolarHBondContact O-CB 3.29Å; R255-A259 PolarHBondContact O-N 3.01Å
256S92.9Very high92.3Very high58 Ų5864.6 Ų64.641%0.40631%0.31SS..Hα-helixtrans-64.8-36.5-179.5-60.70000111.8A252 E253 L254 K260A252-S256 WeakPolarHBondContact O-CB 3.36Å; A252-S256 PolarHBondContact O-N 3.47Å; A252-S256 PolarHBondContact O-OG 3.07Å; E253-S256 WeakPolarHBondContact O-CB 3.21Å; E253-S256 PolarHBondContact O-N 2.96Å; E253-S256 VanDerWaalsContact O-N 3.09Å; L254-S256 VanDerWaalsContact C-N 3.28Å; L254-S256 PolarHBondContact O-N 3.42Å; S256-K260 VanDerWaalsContact O-CG 3.27Å; S256-K260 WeakPolarHBondContact O-CG 3.28Å; S256-K260 PolarHBondContact O-N 2.88Å
257K92.8Very high92.3Very high114 Ų11461.8 Ų61.850%0.49630%0.302SS..Hα-helixtrans-64.8-48.1173-69.1173.6-177.9173.10111.3E253 L254 R255 K260 N261 Y265E253-K257 WeakPolarHBondContact O-CG 3.44Å; E253-K257 PolarHBondContact O-N 3.38Å; L254-K257 WeakPolarHBondContact O-CB 3.27Å; L254-K257 PolarHBondContact O-N 2.95Å; L254-K257 VanDerWaalsContact O-N 3.13Å; R255-K257 VanDerWaalsContact C-N 3.3Å; R255-K257 PolarHBondContact O-N 3.43Å; K257-K260 PolarHBondContact O-N 3.28Å; K257-N261 PolarHBondContact O-N 3.46Å; K257-Y265 HydrophobicContact CB-CE2 4.47Å
258V93.2Very high92.5Very high0 Ų064.2 Ų64.20%031%0.313CS..Hα-helixtrans-61.9-45.3178.1175.20000111.4F216 P217 L223 L254 R255 K260 N261 R262 Y265 L280F216-V258 HydrophobicContact CD1-CG1 3.84Å; F216-V258 HydrophobicContact CE1-CB 4.33Å; F216-V258 HydrophobicContact CE1-CG1 3.89Å; P217-V258 HydrophobicContact CG-CG1 4.31Å; L223-V258 HydrophobicContact CD2-CB 4.16Å; L223-V258 HydrophobicContact CD2-CG2 3.68Å; L254-V258 WeakPolarHBondContact O-CG2 3.39Å; L254-V258 PolarHBondContact O-N 3.39Å; R255-V258 PolarHBondContact O-N 3.06Å; V258-K260 VanDerWaalsContact C-N 3.27Å; V258-K260 PolarHBondContact O-N 3.14Å; V258-N261 CarbonylContact O-C 3.56Å; V258-N261 PolarHBondContact O-N 2.95Å; V258-R262 WeakPolarHBondContact O-CA 3.46Å; V258-R262 VanDerWaalsContact O-CG 3.23Å; V258-R262 WeakPolarHBondContact O-CG 3.4Å; V258-R262 PolarHBondContact O-N 2.77Å; V258-Y265 HydrophobicContact CB-CD2 4.13Å; V258-Y265 HydrophobicContact CB-CG 4.38Å; V258-Y265 HydrophobicContact CG1-CD2 4.38Å; V258-Y265 HydrophobicContact CG1-CG 4.42Å; V258-Y265 HydrophobicContact CG2-CD1 4.02Å; V258-Y265 HydrophobicContact CG2-CD2 3.83Å; V258-Y265 HydrophobicContact CG2-CE1 4.32Å; V258-Y265 HydrophobicContact CG2-CE2 4.14Å; V258-Y265 HydrophobicContact CG2-CG 3.73Å; V258-L280 HydrophobicContact CG2-CD1 4.22Å; V258-L280 HydrophobicContact CG2-CD2 3.82Å
259A91.9Very high92.6Very high40 Ų4063.1 Ų63.133%0.33131%0.307SS..Hα-helixtrans-61.5-34.8179.600000112.9R255R255-A259 VanDerWaalsContact O-CB 3.3Å; R255-A259 WeakPolarHBondContact O-CB 3.29Å; R255-A259 PolarHBondContact O-N 3.01Å
260K91.6Very high92.9Very high171 Ų17160.3 Ų60.374%0.74330%0.296SS*.Hα-helixtrans-74.3-32.3177.7-73.6174.5-177.5-178.20113.1S256 K257 V258S256-K260 VanDerWaalsContact O-CG 3.27Å; S256-K260 WeakPolarHBondContact O-CG 3.28Å; S256-K260 PolarHBondContact O-N 2.88Å; K257-K260 PolarHBondContact O-N 3.28Å; V258-K260 VanDerWaalsContact C-N 3.27Å; V258-K260 PolarHBondContact O-N 3.14Å
261N92.1Very high93Very high87 Ų8755.3 Ų55.347%0.46528%0.278SS..SBendtrans-132.149-173.6-68-55.7000111.8K257 V258 V263 F264 Y265K257-N261 PolarHBondContact O-N 3.46Å; V258-N261 CarbonylContact O-C 3.56Å; V258-N261 PolarHBondContact O-N 2.95Å; N261-V263 PolarHBondContact O-N 3.45Å; N261-F264 HydrophobicContact CB-CB 4.3Å; N261-F264 HydrophobicContact CB-CD2 4.13Å; N261-F264 WeakPolarHBondContact O-CB 3.45Å; N261-F264 PolarHBondContact O-N 3.36Å; N261-Y265 HydrophobicContact CB-CD2 4.44Å; N261-Y265 HydrophobicContact CB-CE2 4.22Å; N261-Y265 WeakPolarHBondContact O-CD2 3.45Å
262R93.9Very high93.2Very high72 Ų7255 Ų5527%0.27228%0.276SS..G310 helixtrans-51.5-40.6-170.1-61.4-179.6178.4130.3-5.5113.1W130 E214 P217 V258 F264 Y265 H266W130-R262 HydrophobicContact CH2-CB 3.78Å; W130-R262 HydrophobicContact CZ2-CB 3.65Å; E214-R262 PolarHBondContact O-NE 2.88Å; E214-R262 PolarHBondContact O-NH2 2.99Å; P217-R262 HydrophobicContact CG-CB 4.44Å; P217-R262 WeakPolarHBondContact CG-O 3.29Å; V258-R262 WeakPolarHBondContact O-CA 3.46Å; V258-R262 VanDerWaalsContact O-CG 3.23Å; V258-R262 WeakPolarHBondContact O-CG 3.4Å; V258-R262 PolarHBondContact O-N 2.77Å; R262-F264 VanDerWaalsContact C-N 3.26Å; R262-F264 PolarHBondContact O-N 3.26Å; R262-Y265 PolarHBondContact O-N 3.43Å; R262-Y265 VanDerWaalsContact O-N 3.08Å; R262-H266 PolarHBondContact O-N 2.89Å
263V94.8Very high93.4Very high1 Ų153.7 Ų53.71%0.00626%0.264CS..G310 helixtrans-62.3-34.1-177.2-178.30000112.2W130 L186 Q187 I189 N261 Y265 H266 A269 L272 T273W130-V263 HydrophobicContact CH2-CB 4.41Å; W130-V263 HydrophobicContact CH2-CG2 3.88Å; W130-V263 HydrophobicContact CZ3-CG2 4.13Å; L186-V263 HydrophobicContact CB-CG2 4.24Å; Q187-V263 WeakPolarHBondContact O-CG2 3.11Å; I189-V263 HydrophobicContact CD1-CB 4.36Å; I189-V263 HydrophobicContact CD1-CG1 3.63Å; I189-V263 HydrophobicContact CD1-CG2 3.7Å; I189-V263 HydrophobicContact CG1-CG1 4.48Å; I189-V263 HydrophobicContact CG1-CG2 4.16Å; N261-V263 PolarHBondContact O-N 3.45Å; V263-Y265 VanDerWaalsContact C-N 3.25Å; V263-Y265 PolarHBondContact O-N 3.24Å; V263-H266 PolarHBondContact O-N 2.7Å; V263-A269 WeakPolarHBondContact O-CB 3.15Å; V263-L272 HydrophobicContact CG1-CB 3.63Å; V263-L272 HydrophobicContact CG1-CD1 4Å; V263-L272 HydrophobicContact CG1-CG 4.45Å; V263-T273 HydrophobicContact CB-CG2 4.44Å; V263-T273 HydrophobicContact CG1-CG2 3.55Å
264F93.8Very high93.5Very high46 Ų4650.6 Ų50.620%0.20226%0.263CS..G310 helixtrans-72.9-16.4178.4-79.5-89.5000114N261 R262 A269 T273 K275 A278N261-F264 HydrophobicContact CB-CB 4.3Å; N261-F264 HydrophobicContact CB-CD2 4.13Å; N261-F264 WeakPolarHBondContact O-CB 3.45Å; N261-F264 PolarHBondContact O-N 3.36Å; R262-F264 VanDerWaalsContact C-N 3.26Å; R262-F264 PolarHBondContact O-N 3.26Å; F264-A269 WeakPolarHBondContact O-CB 2.96Å; F264-T273 HydrophobicContact CD1-CG2 4.27Å; F264-T273 HydrophobicContact CD2-CG2 4.4Å; F264-T273 HydrophobicContact CE1-CG2 4.26Å; F264-T273 HydrophobicContact CE2-CG2 4.39Å; F264-T273 HydrophobicContact CG-CG2 4.35Å; F264-T273 HydrophobicContact CZ-CG2 4.31Å; F264-K275 HydrophobicContact CE1-CB 4.25Å; F264-K275 HydrophobicContact CE1-CD 3.58Å; F264-K275 HydrophobicContact CZ-CD 3.74Å; F264-A278 HydrophobicContact CB-CB 4.22Å
265Y93.6Very high93.5Very high39 Ų3955 Ų5515%0.15328%0.282CS..G310 helixtrans-110.49.8-179.6-66.3-77.5000112.6K257 V258 N261 R262 V263 A278 L280K257-Y265 HydrophobicContact CB-CE2 4.47Å; V258-Y265 HydrophobicContact CB-CD2 4.13Å; V258-Y265 HydrophobicContact CB-CG 4.38Å; V258-Y265 HydrophobicContact CG1-CD2 4.38Å; V258-Y265 HydrophobicContact CG1-CG 4.42Å; V258-Y265 HydrophobicContact CG2-CD1 4.02Å; V258-Y265 HydrophobicContact CG2-CD2 3.83Å; V258-Y265 HydrophobicContact CG2-CE1 4.32Å; V258-Y265 HydrophobicContact CG2-CE2 4.14Å; V258-Y265 HydrophobicContact CG2-CG 3.73Å; N261-Y265 HydrophobicContact CB-CD2 4.44Å; N261-Y265 HydrophobicContact CB-CE2 4.22Å; N261-Y265 WeakPolarHBondContact O-CD2 3.45Å; R262-Y265 PolarHBondContact O-N 3.43Å; R262-Y265 VanDerWaalsContact O-N 3.08Å; V263-Y265 VanDerWaalsContact C-N 3.25Å; V263-Y265 PolarHBondContact O-N 3.24Å; Y265-A278 HydrophobicContact CD1-CB 4.5Å; Y265-A278 HydrophobicContact CE1-CB 4.24Å; Y265-L280 HydrophobicContact CD1-CD2 3.54Å; Y265-L280 HydrophobicContact CD1-CG 3.71Å; Y265-L280 HydrophobicContact CE1-CD2 3.83Å; Y265-L280 HydrophobicContact CE1-CG 4.45Å; Y265-L280 HydrophobicContact CG-CD2 4.42Å; Y265-L280 HydrophobicContact CG-CG 4.44Å
266H94.2Very high93.3Very high1 Ų156.8 Ų56.81%0.00530%0.304CS..SBendtrans-75.8142.2169.7-170.7-85.8000109.2W129 W130 P217 A218 R262 V263 M268 A269 L272W129-H266 AromaticContact CE3-CE1 3.97Å; W129-H266 AromaticContact CH2-CE1 3.48Å; W129-H266 VanDerWaalsContact CH2-CE1 3.48Å; W129-H266 WeakPolarHBondContact CH2-CE1 3.42Å; W129-H266 AromaticContact CZ3-CE1 3.39Å; W129-H266 WeakPolarHBondContact CZ3-CE1 3.29Å; W129-H266 AromaticContact CZ3-NE2 3.71Å; W130-H266 AromaticContact CE3-CD2 3.32Å; W130-H266 AromaticContact CE3-NE2 3.9Å; W130-H266 HydrophobicContact CZ3-CB 3.94Å; W130-H266 AromaticContact CZ3-CD2 3.57Å; W130-H266 AromaticContact CZ3-CG 3.94Å; W130-H266 PolarHBondContact O-CD2 2.93Å; W130-H266 VanDerWaalsContact O-CD2 3.23Å; W130-H266 PolarHBondContact O-NE2 3.13Å; W130-H266 VanDerWaalsContact O-NE2 3.14Å; P217-H266 HydrophobicContact CB-CB 3.84Å; A218-H266 WeakPolarHBondContact CB-NE2 3.27Å; R262-H266 PolarHBondContact O-N 2.89Å; V263-H266 PolarHBondContact O-N 2.7Å; H266-M268 WeakPolarHBondContact ND1-CB 3.05Å; H266-M268 PolarHBondContact ND1-N 3.07Å; H266-M268 PolarHBondContact O-N 3.06Å; H266-A269 WeakPolarHBondContact O-CA 3.37Å; H266-A269 WeakPolarHBondContact O-CB 3.35Å; H266-A269 PolarHBondContact O-N 3.28Å; H266-L272 HydrophobicContact CB-CD1 3.98Å
267T92.6Very high92.7Very high66 Ų6657.7 Ų57.741%0.40530%0.304SS..THydrogen-bonded Turntrans-54-30177.650.80000114T133 A218 G219T133-T267 WeakPolarHBondContact CG2-OG1 3.46Å; A218-T267 PolarHBondContact O-N 3.44Å; A218-T267 VanDerWaalsContact O-N 3.11Å; G219-T267 VanDerWaalsContact CA-CG2 3.42Å
268M93.9Very high92.1Very high83 Ų8354.8 Ų54.841%0.40930%0.301SS..THydrogen-bonded Turntrans-99.227.8175.3-58.1-68.8-80.100112.9W129 T133 H266 P270 Y271 L272W129-M268 HydrophobicContact CH2-CB 3.57Å; W129-M268 HydrophobicContact CH2-CG 4.07Å; W129-M268 HydrophobicContact CZ2-CB 3.69Å; W129-M268 HydrophobicContact CZ2-CG 3.67Å; T133-M268 HydrophobicContact CG2-CG 4.14Å; H266-M268 WeakPolarHBondContact ND1-CB 3.05Å; H266-M268 PolarHBondContact ND1-N 3.07Å; H266-M268 PolarHBondContact O-N 3.06Å; M268-P270 VanDerWaalsContact C-CD 3.48Å; M268-P270 VanDerWaalsContact C-N 3.34Å; M268-Y271 HydrophobicContact CB-CD1 4.48Å; M268-Y271 WeakPolarHBondContact O-CB 3.25Å; M268-Y271 PolarHBondContact O-N 2.93Å; M268-Y271 VanDerWaalsContact O-N 3.17Å; M268-L272 WeakPolarHBondContact O-CG 3.03Å; M268-L272 PolarHBondContact O-N 3.38Å; M268-L272 VanDerWaalsContact O-N 3.07Å
269A94.7Very high90.9Very high0 Ų055.7 Ų55.70%031%0.31CS..Hα-helixtrans-54-40.1179.200000113.5V263 F264 H266 Y271 L272 T273V263-A269 WeakPolarHBondContact O-CB 3.15Å; F264-A269 WeakPolarHBondContact O-CB 2.96Å; H266-A269 WeakPolarHBondContact O-CA 3.37Å; H266-A269 WeakPolarHBondContact O-CB 3.35Å; H266-A269 PolarHBondContact O-N 3.28Å; A269-Y271 VanDerWaalsContact C-N 3.31Å; A269-Y271 PolarHBondContact O-N 3.05Å; A269-L272 PolarHBondContact O-N 2.8Å; A269-L272 VanDerWaalsContact O-N 3.17Å; A269-T273 WeakPolarHBondContact O-CB 3.46Å; A269-T273 WeakPolarHBondContact O-CG2 3.16Å; A269-T273 PolarHBondContact O-N 2.9Å; A269-T273 PolarHBondContact O-OG1 3.37Å
270P94.5Very high90.4Very high59 Ų5954.9 Ų54.938%0.38330%0.3SS..Hα-helixtrans-60.4-39.5177.3-26.235.8000113.9M268 G274 K275 D277M268-P270 VanDerWaalsContact C-CD 3.48Å; M268-P270 VanDerWaalsContact C-N 3.34Å; P270-G274 VanDerWaalsContact O-CA 3.24Å; P270-G274 WeakPolarHBondContact O-CA 3.32Å; P270-G274 PolarHBondContact O-N 2.7Å; P270-K275 VanDerWaalsContact CA-O 3.23Å; P270-K275 WeakPolarHBondContact CA-O 3.33Å; P270-D277 HydrophobicContact CG-CB 4.01Å
271Y94.3Very high89.9Confident58 Ų5852.4 Ų52.423%0.22729%0.291CS..Hα-helixtrans-65.2-46.9173.9159.8-97.5000111.3I76 D82 W129 T177 R190 M268 A269I76-Y271 HydrophobicContact CD1-CD2 3.72Å; I76-Y271 HydrophobicContact CD1-CE2 3.16Å; D82-Y271 PolarHBondContact OD1-OH 3.43Å; W129-Y271 AromaticContact CH2-CD1 3.91Å; W129-Y271 HydrophobicContact CH2-CD1 3.91Å; W129-Y271 AromaticContact CH2-CE1 3.88Å; W129-Y271 HydrophobicContact CH2-CE1 3.88Å; W129-Y271 HydrophobicContact CZ2-CD1 4.27Å; W129-Y271 HydrophobicContact CZ2-CE1 4.18Å; T177-Y271 WeakPolarHBondContact CB-OH 3.49Å; T177-Y271 HydrophobicContact CG2-CE1 4.24Å; T177-Y271 PolarHBondContact OG1-OH 3.25Å; R190-Y271 WeakPolarHBondContact CD-O 3.44Å; M268-Y271 HydrophobicContact CB-CD1 4.48Å; M268-Y271 WeakPolarHBondContact O-CB 3.25Å; M268-Y271 PolarHBondContact O-N 2.93Å; M268-Y271 VanDerWaalsContact O-N 3.17Å; A269-Y271 VanDerWaalsContact C-N 3.31Å; A269-Y271 PolarHBondContact O-N 3.05Å
272L95.5Very high89Confident0 Ų052 Ų520%029%0.293CS..Hα-helixtrans-72-30.9-176.2-66.5175.6000114.1W129 W130 T177 L181 I189 R190 V263 H266 M268 A269W129-L272 HydrophobicContact CH2-CD1 4.16Å; W129-L272 HydrophobicContact CH2-CD2 3.92Å; W129-L272 HydrophobicContact CH2-CG 4.07Å; W129-L272 HydrophobicContact CZ3-CD1 3.99Å; W129-L272 HydrophobicContact CZ3-CD2 3.88Å; W129-L272 HydrophobicContact CZ3-CG 4.25Å; W130-L272 HydrophobicContact CE3-CD1 4.31Å; W130-L272 HydrophobicContact CZ3-CD1 3.93Å; T177-L272 HydrophobicContact CG2-CD2 4.28Å; L181-L272 HydrophobicContact CD1-CD2 4.03Å; I189-L272 HydrophobicContact CD1-CB 4.28Å; I189-L272 HydrophobicContact CD1-CD2 4.13Å; R190-L272 WeakPolarHBondContact CB-O 3.42Å; R190-L272 VanDerWaalsContact CG-O 3.3Å; R190-L272 WeakPolarHBondContact CG-O 3.37Å; R190-L272 PolarHBondContact N-O 3.26Å; V263-L272 HydrophobicContact CG1-CB 3.63Å; V263-L272 HydrophobicContact CG1-CD1 4Å; V263-L272 HydrophobicContact CG1-CG 4.45Å; H266-L272 HydrophobicContact CB-CD1 3.98Å; M268-L272 WeakPolarHBondContact O-CG 3.03Å; M268-L272 PolarHBondContact O-N 3.38Å; M268-L272 VanDerWaalsContact O-N 3.07Å; A269-L272 PolarHBondContact O-N 2.8Å; A269-L272 VanDerWaalsContact O-N 3.17Å
273T94.7Very high88.4Confident12 Ų1254.8 Ų54.87%0.07431%0.309CS..Hα-helixtrans-111.8-19.4-171.266.10000113.5V263 F264 A269 K275V263-T273 HydrophobicContact CB-CG2 4.44Å; V263-T273 HydrophobicContact CG1-CG2 3.55Å; F264-T273 HydrophobicContact CD1-CG2 4.27Å; F264-T273 HydrophobicContact CD2-CG2 4.4Å; F264-T273 HydrophobicContact CE1-CG2 4.26Å; F264-T273 HydrophobicContact CE2-CG2 4.39Å; F264-T273 HydrophobicContact CG-CG2 4.35Å; F264-T273 HydrophobicContact CZ-CG2 4.31Å; A269-T273 WeakPolarHBondContact O-CB 3.46Å; A269-T273 WeakPolarHBondContact O-CG2 3.16Å; A269-T273 PolarHBondContact O-N 2.9Å; A269-T273 PolarHBondContact O-OG1 3.37Å; T273-K275 PolarHBondContact O-N 3.19Å; T273-K275 WeakPolarHBondContact OG1-CB 3.22Å; T273-K275 PolarHBondContact OG1-N 3.28Å; T273-K275 PolarHBondContact OG1-O 3.35Å
274G93.4Very high87.6Confident51 Ų5158.3 Ų58.353%0.52633%0.328SS..SBendtrans67.19.8-168.100000113.7P270P270-G274 VanDerWaalsContact O-CA 3.24Å; P270-G274 WeakPolarHBondContact O-CA 3.32Å; P270-G274 PolarHBondContact O-N 2.7Å
275K93Very high86.8Confident117 Ų11756.6 Ų56.651%0.50932%0.321SS..SBendtrans-113.9156.9-177.9-64.5175.9179.4-177.70110.1F264 P270 T273F264-K275 HydrophobicContact CE1-CB 4.25Å; F264-K275 HydrophobicContact CE1-CD 3.58Å; F264-K275 HydrophobicContact CZ-CD 3.74Å; P270-K275 VanDerWaalsContact CA-O 3.23Å; P270-K275 WeakPolarHBondContact CA-O 3.33Å; T273-K275 PolarHBondContact O-N 3.19Å; T273-K275 WeakPolarHBondContact OG1-CB 3.22Å; T273-K275 PolarHBondContact OG1-N 3.28Å; T273-K275 PolarHBondContact OG1-O 3.35Å
276P88Confident86.1Confident118 Ų11855.5 Ų55.577%0.76632%0.318SS*.  trans-53145.9170.6-24.134.3000111A278P276-A278 PolarHBondContact O-N 3.32Å
277D80.6Confident85.7Confident76 Ų7659.7 Ų59.741%0.40634%0.338SS..  trans-57.9130.1176.2-1725.1000109.2P270 G279P270-D277 HydrophobicContact CG-CB 4.01Å; D277-G279 VanDerWaalsContact CG-N 3.33Å; D277-G279 PolarHBondContact O-N 2.88Å; D277-G279 WeakPolarHBondContact OD1-CA 3.3Å; D277-G279 PolarHBondContact OD1-N 2.97Å
278A79.9Confident85.7Confident53 Ų5356.7 Ų56.744%0.43832%0.319SS..  trans-69-23.9170.800000110.5F264 Y265 P276F264-A278 HydrophobicContact CB-CB 4.22Å; Y265-A278 HydrophobicContact CD1-CB 4.5Å; Y265-A278 HydrophobicContact CE1-CB 4.24Å; P276-A278 PolarHBondContact O-N 3.32Å
279G68.4Low85.7Confident19 Ų1952.7 Ų52.720%0.19630%0.3CS..  trans69.9134.217700000111.9D277D277-G279 VanDerWaalsContact CG-N 3.33Å; D277-G279 PolarHBondContact O-N 2.88Å; D277-G279 WeakPolarHBondContact OD1-CA 3.3Å; D277-G279 PolarHBondContact OD1-N 2.97Å
280L81.1Confident85.8Confident24 Ų2452.7 Ų52.713%0.12630%0.3CS..  trans-96113.7146.4-68.4175.7000105.4S220 L254 V258 Y265 P282 M285S220-L280 VanDerWaalsContact CB-CD1 3.46Å; L254-L280 HydrophobicContact CD1-CD2 3.71Å; L254-L280 HydrophobicContact CD2-CD2 4.21Å; L254-L280 HydrophobicContact CG-CD2 4.15Å; V258-L280 HydrophobicContact CG2-CD1 4.22Å; V258-L280 HydrophobicContact CG2-CD2 3.82Å; Y265-L280 HydrophobicContact CD1-CD2 3.54Å; Y265-L280 HydrophobicContact CD1-CG 3.71Å; Y265-L280 HydrophobicContact CE1-CD2 3.83Å; Y265-L280 HydrophobicContact CE1-CG 4.45Å; Y265-L280 HydrophobicContact CG-CD2 4.42Å; Y265-L280 HydrophobicContact CG-CG 4.44Å; L280-P282 WeakPolarHBondContact O-CD 3.41Å; L280-M285 HydrophobicContact CB-CE 3.82Å; L280-M285 HydrophobicContact CB-SD 4.17Å; L280-M285 HydrophobicContact CD1-CE 4.43Å; L280-M285 HydrophobicContact CD1-SD 3.83Å
281H80.1Confident85.9Confident118 Ų11851.3 Ų51.355%0.54629%0.287SS..  trans-63.6132.3171.1-72.5-79000107.3E283 D284H281-E283 PolarHBondContact O-N 2.49Å; H281-D284 WeakPolarHBondContact CB-OD2 3.32Å; H281-D284 PolarHBondContact N-OD2 3.45Å; H281-D284 WeakPolarHBondContact O-CB 3.48Å; H281-D284 PolarHBondContact O-N 2.53Å
282P75.1Confident86.1Confident78 Ų7848.5 Ų48.551%0.50628%0.276SS..Hα-helixtrans-52.2-33.8177.8-28.935.5000112.2L280 M285 V286L280-P282 WeakPolarHBondContact O-CD 3.41Å; P282-M285 PolarHBondContact O-N 2.87Å; P282-V286 WeakPolarHBondContact O-CB 3.35Å; P282-V286 WeakPolarHBondContact O-CG2 3.42Å; P282-V286 PolarHBondContact O-N 2.96Å
283E79.4Confident86.2Confident131 Ų13148.5 Ų48.561%0.61228%0.276SS*.Hα-helixtrans-55.2-48.2174.8-67.2164.5-165.800112H281 M285 V286 H287H281-E283 PolarHBondContact O-N 2.49Å; E283-M285 PolarHBondContact O-N 2.7Å; E283-V286 PolarHBondContact O-N 2.86Å; E283-H287 PolarHBondContact O-CD2 3.41Å; E283-H287 PolarHBondContact O-N 3.03Å; E283-H287 PolarHBondContact O-NE2 3.13Å
284D78.8Confident86.3Confident75 Ų7548 Ų4840%0.40127%0.272SS..Hα-helixtrans-55.5-28.7-178.9-64.8-35.2000113.4L254 H281L254-D284 HydrophobicContact CD2-CB 3.89Å; H281-D284 WeakPolarHBondContact CB-OD2 3.32Å; H281-D284 PolarHBondContact N-OD2 3.45Å; H281-D284 WeakPolarHBondContact O-CB 3.48Å; H281-D284 PolarHBondContact O-N 2.53Å
285M77.1Confident86.5Confident10 Ų1045.5 Ų45.55%0.04925%0.247CC..Hα-helixtrans-98.1-19.3-177-60.4-176.6-7600113.3R222 L223 L280 P282 E283 L289R222-M285 HydrophobicContact CB-CB 3.81Å; R222-M285 HydrophobicContact CB-CG 4.47Å; R222-M285 HydrophobicContact CB-SD 3.99Å; L223-M285 HydrophobicContact CB-CG 4.17Å; L223-M285 HydrophobicContact CB-SD 3.96Å; L280-M285 HydrophobicContact CB-CE 3.82Å; L280-M285 HydrophobicContact CB-SD 4.17Å; L280-M285 HydrophobicContact CD1-CE 4.43Å; L280-M285 HydrophobicContact CD1-SD 3.83Å; P282-M285 PolarHBondContact O-N 2.87Å; E283-M285 PolarHBondContact O-N 2.7Å; M285-L289 WeakPolarHBondContact O-CD1 3.08Å; M285-L289 WeakPolarHBondContact O-CG 3.49Å
286V79.4Confident86.7Confident17 Ų1740 Ų4010%0.10322%0.223CC..Hα-helixtrans-89.3-24.5-170165.10000112.4R222 P282 E283 V288 L289 Y326 P327R222-V286 VanDerWaalsContact NH1-CG2 3.28Å; P282-V286 WeakPolarHBondContact O-CB 3.35Å; P282-V286 WeakPolarHBondContact O-CG2 3.42Å; P282-V286 PolarHBondContact O-N 2.96Å; E283-V286 PolarHBondContact O-N 2.86Å; V286-V288 PolarHBondContact O-N 3.32Å; V286-L289 PolarHBondContact O-N 3.37Å; V286-Y326 HydrophobicContact CG1-CD1 3.66Å; V286-Y326 HydrophobicContact CG1-CE1 4.31Å; V286-Y326 HydrophobicContact CG1-CG 4.47Å; V286-Y326 HydrophobicContact CG2-CD1 4.42Å; V286-Y326 HydrophobicContact CG2-CE1 4.26Å; V286-P327 VanDerWaalsContact CG1-CD 3.45Å; V286-P327 HydrophobicContact CG1-CG 4.05Å
287H85Confident87.1Confident88 Ų8836.8 Ų36.841%0.40720%0.196SC..THydrogen-bonded Turntrans-67.61.9-172.5-64.9-53.9000116.8E283 R291 D328E283-H287 PolarHBondContact O-CD2 3.41Å; E283-H287 PolarHBondContact O-N 3.03Å; E283-H287 PolarHBondContact O-NE2 3.13Å; H287-R291 PolarHBondContact O-NH2 3.01Å; H287-D328 WeakPolarHBondContact O-CB 3.43Å; H287-D328 VanDerWaalsContact O-CG 3.23Å
288V92.3Very high87.9Confident3 Ų336.1 Ų36.12%0.01819%0.188CC..THydrogen-bonded Turntrans-130.1-11.4177.1-66.10000114.2D247 L251 V286 G290 R291 L292 D328D247-V288 HydrophobicContact CB-CG1 3.49Å; D247-V288 VanDerWaalsContact CB-CG1 3.49Å; L251-V288 HydrophobicContact CD1-CB 3.83Å; L251-V288 HydrophobicContact CD1-CG1 3.53Å; L251-V288 HydrophobicContact CD1-CG2 3.2Å; L251-V288 HydrophobicContact CD2-CG2 4.37Å; L251-V288 HydrophobicContact CG-CG2 4.34Å; V286-V288 PolarHBondContact O-N 3.32Å; V288-G290 VanDerWaalsContact C-N 3.28Å; V288-G290 PolarHBondContact O-N 2.97Å; V288-R291 PolarHBondContact O-N 3.47Å; V288-L292 HydrophobicContact CB-CD1 3.92Å; V288-L292 HydrophobicContact CB-CG 4.27Å; V288-L292 HydrophobicContact CG2-CD1 3.6Å; V288-L292 HydrophobicContact CG2-CG 4.45Å; V288-L292 VanDerWaalsContact O-CB 3.31Å; V288-L292 WeakPolarHBondContact O-CB 3.23Å; V288-L292 VanDerWaalsContact O-CG 3.22Å; V288-L292 WeakPolarHBondContact O-CG 3.42Å; V288-L292 PolarHBondContact O-N 3.16Å; V288-D328 WeakPolarHBondContact CA-OD2 3.21Å
289L95Very high88.7Confident0 Ų035.3 Ų35.30%018%0.175CC..Hα-helixtrans-69.9-31.2-165.9-78.8170.6000111.1R222 S226 M285 V286 G293 M311 Y326 D328R222-L289 HydrophobicContact CB-CD1 4.03Å; R222-L289 HydrophobicContact CG-CD1 3.9Å; S226-L289 WeakPolarHBondContact OG-CD2 3.45Å; M285-L289 WeakPolarHBondContact O-CD1 3.08Å; M285-L289 WeakPolarHBondContact O-CG 3.49Å; V286-L289 PolarHBondContact O-N 3.37Å; L289-G293 WeakPolarHBondContact O-CA 3.33Å; L289-G293 PolarHBondContact O-N 3.24Å; L289-M311 HydrophobicContact CD2-CE 3.57Å; L289-Y326 HydrophobicContact CB-CD1 4.36Å; L289-Y326 HydrophobicContact CB-CD2 3.38Å; L289-Y326 HydrophobicContact CB-CE1 4.37Å; L289-Y326 HydrophobicContact CB-CE2 3.43Å; L289-Y326 VanDerWaalsContact CB-CE2 3.43Å; L289-Y326 HydrophobicContact CB-CG 3.9Å; L289-Y326 HydrophobicContact CD1-CE1 3.95Å; L289-Y326 HydrophobicContact CD1-CE2 4Å; L289-Y326 HydrophobicContact CG-CE2 4.3Å; L289-D328 PolarHBondContact N-OD1 3.31Å
290G97.1Very high89.9Confident0 Ų035.7 Ų35.70%018%0.175CC..Hα-helixtrans-63.4-50.7174.700000111.8V288 G293 S294 Y323 D328V288-G290 VanDerWaalsContact C-N 3.28Å; V288-G290 PolarHBondContact O-N 2.97Å; G290-G293 PolarHBondContact O-N 2.91Å; G290-S294 PolarHBondContact O-N 2.7Å; G290-S294 PolarHBondContact O-OG 3.38Å; G290-Y323 WeakPolarHBondContact CA-O 3.42Å; G290-Y323 VanDerWaalsContact O-CD2 3.32Å; G290-Y323 WeakPolarHBondContact O-CD2 3.37Å; G290-D328 WeakPolarHBondContact CA-OD1 3.49Å; G290-D328 PolarHBondContact N-OD1 3.18Å; G290-D328 PolarHBondContact N-OD2 3.47Å
291R96.8Very high90.4Very high29 Ų2938 Ų3811%0.10919%0.191CC..Hα-helixtrans-68.5-39.8179.8-68.6172.4-74.4-172.83.7112.8F242 P243 D247 H287 V288 G293 S294 F295 D328 N330 W333F242-R291 HydrophobicContact CE2-CB 3.79Å; F242-R291 HydrophobicContact CZ-CB 3.73Å; P243-R291 HydrophobicContact CG-CG 4.36Å; P243-R291 WeakPolarHBondContact O-CD 3.29Å; P243-R291 PolarHBondContact O-NH1 2.86Å; D247-R291 IonicContact OD2-CZ 3.67Å; D247-R291 IonicContact OD2-NH1 3.71Å; D247-R291 IonicContact OD2-NH2 2.75Å; D247-R291 PolarHBondContact OD2-NH2 3.34Å; H287-R291 PolarHBondContact O-NH2 3.01Å; V288-R291 PolarHBondContact O-N 3.47Å; R291-G293 VanDerWaalsContact C-N 3.31Å; R291-S294 PolarHBondContact O-N 2.89Å; R291-F295 PolarHBondContact O-N 3.03Å; R291-F295 VanDerWaalsContact O-N 3.14Å; R291-D328 VanDerWaalsContact CG-O 3.27Å; R291-D328 WeakPolarHBondContact CG-O 3.33Å; R291-D328 WeakPolarHBondContact CG-OD2 3.32Å; R291-D328 IonicContact CZ-OD2 3.87Å; R291-D328 PolarHBondContact N-OD2 2.91Å; R291-D328 IonicContact NE-OD2 3Å; R291-D328 PolarHBondContact NE-OD2 3.41Å; R291-D328 IonicContact NH2-OD2 3.95Å; R291-N330 HydrophobicContact CG-CB 4.2Å; R291-W333 PolarHBondContact O-NE1 3.1Å
292L96.9Very high91Very high0 Ų040 Ų400%021%0.206CC..Hα-helixtrans-65.6-36.9174.2-69.6176.3000111.3I229 I230 L233 F242 L248 V288 F295 I296I229-L292 HydrophobicContact CB-CB 4.34Å; I229-L292 HydrophobicContact CB-CD2 4.45Å; I229-L292 HydrophobicContact CD1-CB 4.16Å; I229-L292 HydrophobicContact CG2-CB 3.89Å; I229-L292 HydrophobicContact CG2-CD2 3.9Å; I229-L292 HydrophobicContact CG2-CG 4.38Å; I230-L292 HydrophobicContact CD1-CD1 4.33Å; I230-L292 HydrophobicContact CG1-CD1 4.06Å; I230-L292 HydrophobicContact CG1-CD2 3.93Å; L233-L292 HydrophobicContact CD2-CD2 4.06Å; F242-L292 HydrophobicContact CE2-CD2 3.78Å; F242-L292 HydrophobicContact CE2-CG 4.3Å; F242-L292 HydrophobicContact CZ-CD2 4.01Å; F242-L292 HydrophobicContact CZ-CG 4.24Å; L248-L292 HydrophobicContact CD2-CD2 4.39Å; V288-L292 HydrophobicContact CB-CD1 3.92Å; V288-L292 HydrophobicContact CB-CG 4.27Å; V288-L292 HydrophobicContact CG2-CD1 3.6Å; V288-L292 HydrophobicContact CG2-CG 4.45Å; V288-L292 VanDerWaalsContact O-CB 3.31Å; V288-L292 WeakPolarHBondContact O-CB 3.23Å; V288-L292 VanDerWaalsContact O-CG 3.22Å; V288-L292 WeakPolarHBondContact O-CG 3.42Å; V288-L292 PolarHBondContact O-N 3.16Å; L292-F295 WeakPolarHBondContact O-CB 3.48Å; L292-F295 PolarHBondContact O-N 3.37Å; L292-I296 PolarHBondContact O-N 2.91Å
293G97.4Very high91.9Very high0 Ų039.3 Ų39.30%020%0.196CC..Hα-helixtrans-62.8-45.5174.700000113L289 G290 R291 F295 I296 R297 M311L289-G293 WeakPolarHBondContact O-CA 3.33Å; L289-G293 PolarHBondContact O-N 3.24Å; G290-G293 PolarHBondContact O-N 2.91Å; R291-G293 VanDerWaalsContact C-N 3.31Å; G293-F295 VanDerWaalsContact C-N 3.29Å; G293-F295 PolarHBondContact O-N 3.49Å; G293-I296 WeakPolarHBondContact O-CG2 3.47Å; G293-I296 PolarHBondContact O-N 2.75Å; G293-R297 VanDerWaalsContact O-CB 3.29Å; G293-R297 WeakPolarHBondContact O-CB 3.38Å; G293-R297 PolarHBondContact O-N 3.41Å; G293-M311 WeakPolarHBondContact CA-SD 3.4Å
294S97.9Very high92.5Very high0 Ų038 Ų380%020%0.199CC..Hα-helixtrans-57.7-42.5172.1-61.90000112G290 R291 W298 Y323G290-S294 PolarHBondContact O-N 2.7Å; G290-S294 PolarHBondContact O-OG 3.38Å; R291-S294 PolarHBondContact O-N 2.89Å; S294-W298 VanDerWaalsContact O-CD1 3.3Å; S294-W298 PolarHBondContact O-N 2.95Å; S294-Y323 WeakPolarHBondContact OG-CE2 3.21Å
295F97.9Very high93.2Very high0 Ų034.9 Ų34.90%018%0.182CC..Hα-helixtrans-63.6-55.4177.8167.9-101000111.9I229 V232 L233 N236 L238 R291 L292 G293 R297 W298 M299 W333I229-F295 HydrophobicContact CG2-CD1 3.82Å; I229-F295 HydrophobicContact CG2-CE1 4.34Å; V232-F295 HydrophobicContact CB-CE1 4.36Å; V232-F295 HydrophobicContact CG1-CE1 4.04Å; V232-F295 HydrophobicContact CG1-CZ 4.32Å; L233-F295 HydrophobicContact CB-CD1 4.09Å; L233-F295 HydrophobicContact CB-CE1 3.7Å; L233-F295 HydrophobicContact CB-CZ 3.98Å; L233-F295 HydrophobicContact CD1-CD1 4.17Å; L233-F295 HydrophobicContact CD1-CD2 3.62Å; L233-F295 HydrophobicContact CD1-CE1 4.1Å; L233-F295 HydrophobicContact CD1-CE2 3.53Å; L233-F295 HydrophobicContact CD1-CG 3.95Å; L233-F295 HydrophobicContact CD1-CZ 3.79Å; N236-F295 HydrophobicContact CB-CE2 3.91Å; N236-F295 HydrophobicContact CB-CZ 3.81Å; L238-F295 HydrophobicContact CD1-CD2 4.42Å; R291-F295 PolarHBondContact O-N 3.03Å; R291-F295 VanDerWaalsContact O-N 3.14Å; L292-F295 WeakPolarHBondContact O-CB 3.48Å; L292-F295 PolarHBondContact O-N 3.37Å; G293-F295 VanDerWaalsContact C-N 3.29Å; G293-F295 PolarHBondContact O-N 3.49Å; F295-R297 VanDerWaalsContact C-N 3.33Å; F295-R297 PolarHBondContact O-N 2.96Å; F295-W298 PolarHBondContact O-N 3.09Å; F295-M299 HydrophobicContact CD2-CB 4.01Å; F295-M299 HydrophobicContact CD2-CG 3.64Å; F295-M299 HydrophobicContact CE2-CB 3.7Å; F295-M299 HydrophobicContact CE2-CG 3.63Å; F295-M299 HydrophobicContact CZ-CB 4.15Å; F295-M299 VanDerWaalsContact O-CB 3.31Å; F295-M299 WeakPolarHBondContact O-CB 3.31Å; F295-M299 PolarHBondContact O-N 3.32Å; F295-W333 HydrophobicContact CB-CZ2 4.41Å
296I97.3Very high93.9Very high0 Ų035.1 Ų35.10%018%0.183CC..Hα-helixtrans-65.6-37-173.4-161.673.8000111.7I229 V232 L292 G293 W298 C300 H303 L305 M311I229-I296 HydrophobicContact CD1-CB 4.45Å; I229-I296 HydrophobicContact CD1-CG2 4.18Å; I229-I296 HydrophobicContact CG1-CB 4.41Å; I229-I296 HydrophobicContact CG1-CD1 4.48Å; I229-I296 HydrophobicContact CG1-CG1 4.44Å; I229-I296 HydrophobicContact CG2-CB 4.09Å; I229-I296 HydrophobicContact CG2-CD1 4.32Å; V232-I296 HydrophobicContact CB-CD1 4.46Å; V232-I296 HydrophobicContact CG1-CD1 4.22Å; L292-I296 PolarHBondContact O-N 2.91Å; G293-I296 WeakPolarHBondContact O-CG2 3.47Å; G293-I296 PolarHBondContact O-N 2.75Å; I296-W298 PolarHBondContact O-N 3.36Å; I296-C300 HydrophobicContact CD1-CB 3.71Å; I296-C300 HydrophobicContact CG1-CB 4.31Å; I296-C300 CarbonylContact O-C 3.21Å; I296-C300 WeakPolarHBondContact O-CA 3.29Å; I296-C300 PolarHBondContact O-N 3.06Å; I296-C300 VanDerWaalsContact O-O 3.14Å; I296-H303 HydrophobicContact CD1-CB 4.2Å; I296-H303 HydrophobicContact CG1-CB 4.5Å; I296-L305 HydrophobicContact CG1-CB 4.22Å; I296-M311 HydrophobicContact CG2-CG 4.4Å; I296-M311 HydrophobicContact CG2-SD 4.14Å
297R96.9Very high94.5Very high51 Ų5137.5 Ų37.519%0.19220%0.204CC..Hα-helixtrans-57.4-49.2177.5173.2-176.3172.6178.9-3.1112.1G293 F295 N306 W321 Y323 E334G293-R297 VanDerWaalsContact O-CB 3.29Å; G293-R297 WeakPolarHBondContact O-CB 3.38Å; G293-R297 PolarHBondContact O-N 3.41Å; F295-R297 VanDerWaalsContact C-N 3.33Å; F295-R297 PolarHBondContact O-N 2.96Å; R297-N306 WeakPolarHBondContact CA-OD1 3.17Å; R297-W321 HydrophobicContact CB-CZ3 4.34Å; R297-W321 HydrophobicContact CG-CD2 4.49Å; R297-W321 HydrophobicContact CG-CE3 4.41Å; R297-W321 HydrophobicContact CG-CH2 3.89Å; R297-W321 HydrophobicContact CG-CZ2 3.96Å; R297-W321 HydrophobicContact CG-CZ3 4.12Å; R297-W321 VanDerWaalsContact CZ-NE1 3.31Å; R297-W321 VanDerWaalsContact NH1-CD1 3.28Å; R297-Y323 HydrophobicContact CB-CE1 4.21Å; R297-Y323 WeakPolarHBondContact CD-OH 3.49Å; R297-Y323 PolarHBondContact NH1-OH 3.5Å; R297-E334 IonicContact CZ-OE1 3.29Å; R297-E334 IonicContact NH1-OE1 3.63Å; R297-E334 PolarHBondContact NH1-OE1 3.3Å; R297-E334 VanDerWaalsContact NH1-OE1 3.12Å
298W97.1Very high94.8Very high62 Ų6234.6 Ų34.624%0.23519%0.193CC..Hα-helixtrans-89.9-38-170.4-73.5109.2000112.8S294 F295 I296 E334 C337 E338 A341S294-W298 VanDerWaalsContact O-CD1 3.3Å; S294-W298 PolarHBondContact O-N 2.95Å; F295-W298 PolarHBondContact O-N 3.09Å; I296-W298 PolarHBondContact O-N 3.36Å; W298-E334 VanDerWaalsContact NE1-CG 3.28Å; W298-E334 PolarHBondContact NE1-OE1 2.9Å; W298-C337 HydrophobicContact CB-CB 3.89Å; W298-C337 HydrophobicContact CG-CB 4.33Å; W298-E338 HydrophobicContact CD2-CB 3.75Å; W298-E338 HydrophobicContact CD2-CG 4.11Å; W298-E338 HydrophobicContact CE3-CB 4.02Å; W298-E338 HydrophobicContact CE3-CG 3.91Å; W298-E338 HydrophobicContact CG-CB 4.17Å; W298-E338 HydrophobicContact CH2-CB 4.33Å; W298-E338 HydrophobicContact CH2-CG 3.72Å; W298-E338 WeakPolarHBondContact CH2-OE1 3.3Å; W298-E338 HydrophobicContact CZ2-CB 4.1Å; W298-E338 HydrophobicContact CZ2-CG 3.93Å; W298-E338 HydrophobicContact CZ3-CB 4.3Å; W298-E338 HydrophobicContact CZ3-CG 3.72Å; W298-A341 HydrophobicContact CB-CB 4.36Å; W298-A341 WeakPolarHBondContact O-CB 3.47Å
299M95.5Very high94.8Very high36 Ų3639.6 Ų39.618%0.17722%0.216CC..Hα-helixtrans-89-21.6-176-59.3-55.3-6200113.1L238 F295 T340 A341L238-M299 HydrophobicContact CD1-CE 4.07Å; L238-M299 HydrophobicContact CD1-CG 3.8Å; L238-M299 HydrophobicContact CD1-SD 3.67Å; F295-M299 HydrophobicContact CD2-CB 4.01Å; F295-M299 HydrophobicContact CD2-CG 3.64Å; F295-M299 HydrophobicContact CE2-CB 3.7Å; F295-M299 HydrophobicContact CE2-CG 3.63Å; F295-M299 HydrophobicContact CZ-CB 4.15Å; F295-M299 VanDerWaalsContact O-CB 3.31Å; F295-M299 WeakPolarHBondContact O-CB 3.31Å; F295-M299 PolarHBondContact O-N 3.32Å; M299-T340 HydrophobicContact CE-CG2 3.94Å; M299-T340 HydrophobicContact SD-CG2 4.26Å; M299-A341 HydrophobicContact SD-CB 4Å
300C94Very high94.7Very high27 Ų2740.1 Ų40.118%0.18222%0.218CC..  trans-14356.8-176-54.90000111.9V232 I296 D302 H303V232-C300 WeakPolarHBondContact CG1-SG 3.46Å; I296-C300 HydrophobicContact CD1-CB 3.71Å; I296-C300 HydrophobicContact CG1-CB 4.31Å; I296-C300 CarbonylContact O-C 3.21Å; I296-C300 WeakPolarHBondContact O-CA 3.29Å; I296-C300 PolarHBondContact O-N 3.06Å; I296-C300 VanDerWaalsContact O-O 3.14Å; C300-D302 VanDerWaalsContact C-N 3.25Å; C300-D302 PolarHBondContact O-N 3.5Å; C300-H303 HydrophobicContact CB-CB 3.83Å; C300-H303 WeakPolarHBondContact O-CB 3.21Å; C300-H303 PolarHBondContact O-N 2.77Å
301P92.4Very high94.6Very high73 Ų7340.1 Ų40.147%0.47422%0.218SC..THydrogen-bonded Turntrans-59-33.8-170.922.9-34.2000113.9H303 N306P301-H303 VanDerWaalsContact C-N 3.3Å; P301-H303 PolarHBondContact O-N 2.88Å; P301-N306 PolarHBondContact O-ND2 3.37Å
302D92.3Very high94.4Very high159 Ų15939.2 Ų39.285%0.8522%0.217SC*.THydrogen-bonded Turntrans-84.8-0.9-179.7-57.9-46.4000113.6C300C300-D302 VanDerWaalsContact C-N 3.25Å; C300-D302 PolarHBondContact O-N 3.5Å
303H93.3Very high94.2Very high65 Ų6543.5 Ų43.530%0.30124%0.237SC..SBendtrans-72.9135.3-178-164.2-83.9000110.8I296 C300 P301 L305 N306I296-H303 HydrophobicContact CD1-CB 4.2Å; I296-H303 HydrophobicContact CG1-CB 4.5Å; C300-H303 HydrophobicContact CB-CB 3.83Å; C300-H303 WeakPolarHBondContact O-CB 3.21Å; C300-H303 PolarHBondContact O-N 2.77Å; P301-H303 VanDerWaalsContact C-N 3.3Å; P301-H303 PolarHBondContact O-N 2.88Å; H303-L305 WeakPolarHBondContact CE1-CD1 3.4Å; H303-L305 VanDerWaalsContact CE1-CG 3.43Å; H303-L305 WeakPolarHBondContact CE1-CG 3.26Å; H303-L305 WeakPolarHBondContact ND1-CB 3.42Å; H303-L305 WeakPolarHBondContact ND1-CD1 3.39Å; H303-L305 WeakPolarHBondContact ND1-CG 3.33Å; H303-L305 PolarHBondContact ND1-N 3.25Å; H303-L305 PolarHBondContact O-N 2.63Å; H303-N306 WeakPolarHBondContact O-CB 3.46Å; H303-N306 PolarHBondContact O-N 2.83Å
304P92.4Very high93.8Very high103 Ų10351.3 Ų51.367%0.66927%0.271SS*.G310 helixtrans-55.6-29.4-178.9-28.835.5000114.7N306 A307P304-N306 PolarHBondContact O-N 3.19Å; P304-A307 PolarHBondContact O-N 3.05Å
305L93.4Very high93.4Very high9 Ų956.1 Ų56.15%0.04729%0.291CS..G310 helixtrans-58.9-30.4175.2-68.8169.4000113.2V225 Q228 I229 I296 H303 A307 T308 M311V225-L305 HydrophobicContact CG1-CD2 4.43Å; Q228-L305 HydrophobicContact CB-CD1 3.6Å; Q228-L305 HydrophobicContact CB-CD2 3.88Å; Q228-L305 HydrophobicContact CB-CG 4.35Å; I229-L305 HydrophobicContact CG1-CB 4.27Å; I229-L305 HydrophobicContact CG1-CD1 3.78Å; I229-L305 HydrophobicContact CG1-CG 4.5Å; I296-L305 HydrophobicContact CG1-CB 4.22Å; H303-L305 WeakPolarHBondContact CE1-CD1 3.4Å; H303-L305 VanDerWaalsContact CE1-CG 3.43Å; H303-L305 WeakPolarHBondContact CE1-CG 3.26Å; H303-L305 WeakPolarHBondContact ND1-CB 3.42Å; H303-L305 WeakPolarHBondContact ND1-CD1 3.39Å; H303-L305 WeakPolarHBondContact ND1-CG 3.33Å; H303-L305 PolarHBondContact ND1-N 3.25Å; H303-L305 PolarHBondContact O-N 2.63Å; L305-A307 PolarHBondContact O-N 2.92Å; L305-T308 HydrophobicContact CD2-CG2 4.33Å; L305-T308 WeakPolarHBondContact O-CB 3.19Å; L305-T308 WeakPolarHBondContact O-CG2 3.08Å; L305-T308 PolarHBondContact O-N 3.49Å; L305-T308 PolarHBondContact O-OG1 3.24Å; L305-M311 VanDerWaalsContact O-CG 3.32Å; L305-M311 WeakPolarHBondContact O-CG 3.14Å
306N92Very high92.9Very high16 Ų1666.2 Ų66.29%0.08634%0.339CS..G310 helixtrans-66.3-24.3177.8-159.432.6000112R297 P301 H303 P304 C312 W321R297-N306 WeakPolarHBondContact CA-OD1 3.17Å; P301-N306 PolarHBondContact O-ND2 3.37Å; H303-N306 WeakPolarHBondContact O-CB 3.46Å; H303-N306 PolarHBondContact O-N 2.83Å; P304-N306 PolarHBondContact O-N 3.19Å; N306-C312 PolarHBondContact O-SG 3.32Å; N306-W321 WeakPolarHBondContact OD1-CZ3 3.46Å
307A91.5Very high92.5Very high66 Ų6672 Ų7255%0.54538%0.38SS..G310 helixtrans-93.95.6178.300000113.8P304 L305P304-A307 PolarHBondContact O-N 3.05Å; L305-A307 PolarHBondContact O-N 2.92Å
308T92Very high92.3Very high28 Ų2872.8 Ų72.817%0.17239%0.393CS..SBendtrans-70.3149.2175.761.40000110.3V225 L305 H310 M311 C312V225-T308 HydrophobicContact CG2-CG2 4.27Å; L305-T308 HydrophobicContact CD2-CG2 4.33Å; L305-T308 WeakPolarHBondContact O-CB 3.19Å; L305-T308 WeakPolarHBondContact O-CG2 3.08Å; L305-T308 PolarHBondContact O-N 3.49Å; L305-T308 PolarHBondContact O-OG1 3.24Å; T308-H310 PolarHBondContact O-N 2.96Å; T308-H310 VanDerWaalsContact O-N 3.07Å; T308-M311 PolarHBondContact O-N 3.09Å; T308-M311 VanDerWaalsContact OG1-CG 3.29Å; T308-M311 WeakPolarHBondContact OG1-CG 3.42Å; T308-C312 PolarHBondContact O-N 3.41Å
309H91.8Very high92Very high108 Ų10874.2 Ų74.250%0.540%0.404SS..THydrogen-bonded Turntrans-66.3-8.9178.269.4-93.9000113.5E221 C312 I322E221-H309 IonicContact OE1-CE1 3.65Å; E221-H309 PolarHBondContact OE1-CE1 3.38Å; E221-H309 IonicContact OE1-ND1 3.12Å; E221-H309 IonicContact OE2-CE1 2.77Å; E221-H309 PolarHBondContact OE2-CE1 2.97Å; E221-H309 IonicContact OE2-NE2 2.63Å; E221-H309 PolarHBondContact OE2-NE2 3.3Å; H309-C312 WeakPolarHBondContact CA-O 3.24Å; H309-I322 WeakPolarHBondContact O-CD1 3.39Å
310H92.2Very high91.9Very high10 Ų1075.9 Ų75.95%0.04641%0.411CS..THydrogen-bonded Turntrans-83.8-19.3170.2-59.9-66.8000112.1E221 R222 T308 Y326E221-H310 VanDerWaalsContact CD-NE2 3.26Å; E221-H310 IonicContact OE1-NE2 3.17Å; E221-H310 IonicContact OE2-NE2 3.67Å; E221-H310 PolarHBondContact OE2-NE2 3.23Å; E221-H310 VanDerWaalsContact OE2-NE2 3.17Å; R222-H310 VanDerWaalsContact CG-CE1 3.48Å; R222-H310 WeakPolarHBondContact CG-CE1 3.33Å; R222-H310 WeakPolarHBondContact CG-ND1 3.32Å; T308-H310 PolarHBondContact O-N 2.96Å; T308-H310 VanDerWaalsContact O-N 3.07Å; H310-Y326 VanDerWaalsContact O-CE2 3.3Å; H310-Y326 WeakPolarHBondContact O-CE2 3.32Å; H310-Y326 PolarHBondContact O-OH 3.44Å
311M94.9Very high92Very high0 Ų076.9 Ų76.90%041%0.411CS..THydrogen-bonded Turntrans-104-42.8-178.4-63.3-60.7130.800112.1V225 I229 L289 G293 I296 L305 T308 W321 I322 Y323V225-M311 HydrophobicContact CG1-CE 3.89Å; I229-M311 HydrophobicContact CD1-CE 3.71Å; I229-M311 HydrophobicContact CD1-SD 3.99Å; L289-M311 HydrophobicContact CD2-CE 3.57Å; G293-M311 WeakPolarHBondContact CA-SD 3.4Å; I296-M311 HydrophobicContact CG2-CG 4.4Å; I296-M311 HydrophobicContact CG2-SD 4.14Å; L305-M311 VanDerWaalsContact O-CG 3.32Å; L305-M311 WeakPolarHBondContact O-CG 3.14Å; T308-M311 PolarHBondContact O-N 3.09Å; T308-M311 VanDerWaalsContact OG1-CG 3.29Å; T308-M311 WeakPolarHBondContact OG1-CG 3.42Å; M311-W321 CarbonylContact O-C 3.48Å; M311-I322 PolarHBondContact O-N 3.14Å; M311-Y323 PolarHBondContact O-N 2.77Å
312C94Very high92.2Very high11 Ų1175.1 Ų75.17%0.07440%0.398CS..EExtended strand (participates in β ladder)trans-147154.9-177.681.60000113N306 T308 H309 I319 Q320 W321N306-C312 PolarHBondContact O-SG 3.32Å; T308-C312 PolarHBondContact O-N 3.41Å; H309-C312 WeakPolarHBondContact CA-O 3.24Å; C312-I319 HydrophobicContact CB-CG2 3.78Å; C312-Q320 CarbonylContact C-O 3.55Å; C312-Q320 WeakPolarHBondContact CA-O 3.35Å; C312-W321 HydrophobicContact CB-CE3 3.78Å; C312-W321 HydrophobicContact CB-CZ3 3.84Å
313E92.1Very high92.3Very high89 Ų8967.6 Ų67.642%0.41636%0.357SS..EExtended strand (participates in β ladder)trans-121.4127.2169.2-175.8178.8-154.100108.8K315 Q320 I322E313-K315 HydrophobicContact CG-CG 4.44Å; E313-K315 PolarHBondContact O-N 3.05Å; E313-K315 WeakPolarHBondContact OE2-CE 3.35Å; E313-K315 IonicContact OE2-NZ 3.7Å; E313-Q320 PolarHBondContact N-O 2.93Å; E313-Q320 PolarHBondContact O-N 2.79Å; E313-I322 HydrophobicContact CB-CD1 3.76Å; E313-I322 HydrophobicContact CB-CG1 4.2Å
314K88.5Confident92.5Very high165 Ų16567.9 Ų67.972%0.71736%0.359SS*.EExtended strand (participates in β ladder)trans-84.5111.4173.2-69.5-175.4179.9-1800108.8
315K89.9Confident92.6Very high100 Ų10068.5 Ų68.544%0.43536%0.356SS..EExtended strand (participates in β ladder)trans-96.6158167.4-66.4-174.8172.5177.40109.1E313 S317 S318E313-K315 HydrophobicContact CG-CG 4.44Å; E313-K315 PolarHBondContact O-N 3.05Å; E313-K315 WeakPolarHBondContact OE2-CE 3.35Å; E313-K315 IonicContact OE2-NZ 3.7Å; K315-S317 PolarHBondContact O-N 2.97Å; K315-S318 PolarHBondContact N-O 3.36Å; K315-S318 PolarHBondContact O-N 3.28Å
316E87.3Confident92.7Very high212 Ų21269.2 Ų69.299%0.99136%0.359SS*.THydrogen-bonded Turntrans-38.9-35.3-168-66.2179164.500116.2
317S89.7Confident92.8Very high123 Ų12373.6 Ų73.686%0.8639%0.388SS*.THydrogen-bonded Turntrans-131.83.5178.855.30000114.8K315K315-S317 PolarHBondContact O-N 2.97Å
318S91.7Very high93Very high67 Ų6771.4 Ų71.447%0.46937%0.367SS..EExtended strand (participates in β ladder)trans-148.3152.7-174.159.50000113.4K315K315-S318 PolarHBondContact N-O 3.36Å; K315-S318 PolarHBondContact O-N 3.28Å
319I91.6Very high93.2Very high92 Ų9273.4 Ų73.447%0.47237%0.372SS..EExtended strand (participates in β ladder)trans-96.4117.6171.2-59.6175.9000107.2C312 W321C312-I319 HydrophobicContact CB-CG2 3.78Å; I319-W321 HydrophobicContact CG2-CD2 4.35Å; I319-W321 HydrophobicContact CG2-CH2 4.34Å; I319-W321 HydrophobicContact CG2-CZ2 4.07Å
320Q94.1Very high93.4Very high70 Ų7071.1 Ų71.133%0.32736%0.363SS..EExtended strand (participates in β ladder)trans-92126.9170.3-177.9173.5-11.200109.4C312 E313 I322C312-Q320 CarbonylContact C-O 3.55Å; C312-Q320 WeakPolarHBondContact CA-O 3.35Å; E313-Q320 PolarHBondContact N-O 2.93Å; E313-Q320 PolarHBondContact O-N 2.79Å; Q320-I322 PolarHBondContact O-N 3.43Å
321W95.6Very high93.7Very high48 Ų4876.5 Ų76.518%0.18239%0.389CS..EExtended strand (participates in β ladder)trans-86.798.3179-65.9106.8000110.6R297 N306 M311 C312 I319 Y323 Q324R297-W321 HydrophobicContact CB-CZ3 4.34Å; R297-W321 HydrophobicContact CG-CD2 4.49Å; R297-W321 HydrophobicContact CG-CE3 4.41Å; R297-W321 HydrophobicContact CG-CH2 3.89Å; R297-W321 HydrophobicContact CG-CZ2 3.96Å; R297-W321 HydrophobicContact CG-CZ3 4.12Å; R297-W321 VanDerWaalsContact CZ-NE1 3.31Å; R297-W321 VanDerWaalsContact NH1-CD1 3.28Å; N306-W321 WeakPolarHBondContact OD1-CZ3 3.46Å; M311-W321 CarbonylContact O-C 3.48Å; C312-W321 HydrophobicContact CB-CE3 3.78Å; C312-W321 HydrophobicContact CB-CZ3 3.84Å; I319-W321 HydrophobicContact CG2-CD2 4.35Å; I319-W321 HydrophobicContact CG2-CH2 4.34Å; I319-W321 HydrophobicContact CG2-CZ2 4.07Å; W321-Y323 HydrophobicContact CB-CD1 3.97Å; W321-Y323 HydrophobicContact CB-CE1 3.59Å; W321-Y323 AromaticContact CD2-CE1 3.86Å; W321-Y323 HydrophobicContact CD2-CE1 3.86Å; W321-Y323 AromaticContact CE3-CD1 4Å; W321-Y323 HydrophobicContact CE3-CD1 4Å; W321-Y323 AromaticContact CE3-CE1 3.64Å; W321-Y323 HydrophobicContact CE3-CE1 3.64Å; W321-Y323 AromaticContact CG-CE1 3.87Å; W321-Y323 HydrophobicContact CG-CE1 3.87Å; W321-Y323 PolarHBondContact O-N 3.04Å; W321-Q324 HydrophobicContact CB-CG 4.1Å; W321-Q324 PolarHBondContact O-N 2.9Å
322I95.6Very high93.8Very high37 Ų3780.7 Ų80.719%0.1941%0.414CS..G310 helixtrans-62.1-33.9-178.4-71.1175.5000111.2H309 M311 E313 Q320 Q324 N325 Y326H309-I322 WeakPolarHBondContact O-CD1 3.39Å; M311-I322 PolarHBondContact O-N 3.14Å; E313-I322 HydrophobicContact CB-CD1 3.76Å; E313-I322 HydrophobicContact CB-CG1 4.2Å; Q320-I322 PolarHBondContact O-N 3.43Å; I322-Q324 PolarHBondContact O-N 2.83Å; I322-N325 WeakPolarHBondContact O-CB 3.29Å; I322-N325 PolarHBondContact O-N 3.44Å; I322-Y326 HydrophobicContact CG2-CE2 4.38Å
323Y95.8Very high94Very high0 Ų080.3 Ų80.30%041%0.411CS..G310 helixtrans-60.5-24.2-174.576.1-97.4000113.4G290 S294 R297 M311 W321 N325 Y326 Y329 E334G290-Y323 WeakPolarHBondContact CA-O 3.42Å; G290-Y323 VanDerWaalsContact O-CD2 3.32Å; G290-Y323 WeakPolarHBondContact O-CD2 3.37Å; S294-Y323 WeakPolarHBondContact OG-CE2 3.21Å; R297-Y323 HydrophobicContact CB-CE1 4.21Å; R297-Y323 WeakPolarHBondContact CD-OH 3.49Å; R297-Y323 PolarHBondContact NH1-OH 3.5Å; M311-Y323 PolarHBondContact O-N 2.77Å; W321-Y323 HydrophobicContact CB-CD1 3.97Å; W321-Y323 HydrophobicContact CB-CE1 3.59Å; W321-Y323 AromaticContact CD2-CE1 3.86Å; W321-Y323 HydrophobicContact CD2-CE1 3.86Å; W321-Y323 AromaticContact CE3-CD1 4Å; W321-Y323 HydrophobicContact CE3-CD1 4Å; W321-Y323 AromaticContact CE3-CE1 3.64Å; W321-Y323 HydrophobicContact CE3-CE1 3.64Å; W321-Y323 AromaticContact CG-CE1 3.87Å; W321-Y323 HydrophobicContact CG-CE1 3.87Å; W321-Y323 PolarHBondContact O-N 3.04Å; Y323-N325 PolarHBondContact O-N 2.82Å; Y323-Y326 VanDerWaalsContact CA-CD2 3.47Å; Y323-Y326 PolarHBondContact O-N 3.47Å; Y323-Y329 HydrophobicContact CD2-CD2 4.18Å; Y323-Y329 HydrophobicContact CE2-CD2 4.03Å; Y323-Y329 AromaticContact CE2-CE2 3.98Å; Y323-Y329 HydrophobicContact CE2-CE2 3.98Å; Y323-E334 WeakPolarHBondContact CE2-OE2 3.47Å; Y323-E334 PolarHBondContact OH-OE1 3.06Å; Y323-E334 PolarHBondContact OH-OE2 3.04Å
324Q96.6Very high94.3Very high72 Ų7276.8 Ų76.834%0.33640%0.395SS..G310 helixtrans-68.4-16.9177.6-62.1-176-40.500112.7W321 I322 Y329 E334W321-Q324 HydrophobicContact CB-CG 4.1Å; W321-Q324 PolarHBondContact O-N 2.9Å; I322-Q324 PolarHBondContact O-N 2.83Å; Q324-Y329 HydrophobicContact CB-CD2 4.47Å; Q324-Y329 HydrophobicContact CG-CD2 4.35Å; Q324-Y329 HydrophobicContact CG-CE2 4.07Å; Q324-E334 PolarHBondContact NE2-OE2 3.41Å
325N95.3Very high94.7Very high116 Ų11672.3 Ų72.362%0.6238%0.376SS*.G310 helixtrans-89.2-5.4176.5-59.9-30.4000113I322 Y323I322-N325 WeakPolarHBondContact O-CB 3.29Å; I322-N325 PolarHBondContact O-N 3.44Å; Y323-N325 PolarHBondContact O-N 2.82Å
326Y95.4Very high95.1Very high24 Ų2470 Ų709%0.09437%0.368CS..SBendtrans-75.4143.8177.5-71-58.2000111.4V286 L289 H310 I322 Y323 D328 Y329V286-Y326 HydrophobicContact CG1-CD1 3.66Å; V286-Y326 HydrophobicContact CG1-CE1 4.31Å; V286-Y326 HydrophobicContact CG1-CG 4.47Å; V286-Y326 HydrophobicContact CG2-CD1 4.42Å; V286-Y326 HydrophobicContact CG2-CE1 4.26Å; L289-Y326 HydrophobicContact CB-CD1 4.36Å; L289-Y326 HydrophobicContact CB-CD2 3.38Å; L289-Y326 HydrophobicContact CB-CE1 4.37Å; L289-Y326 HydrophobicContact CB-CE2 3.43Å; L289-Y326 VanDerWaalsContact CB-CE2 3.43Å; L289-Y326 HydrophobicContact CB-CG 3.9Å; L289-Y326 HydrophobicContact CD1-CE1 3.95Å; L289-Y326 HydrophobicContact CD1-CE2 4Å; L289-Y326 HydrophobicContact CG-CE2 4.3Å; H310-Y326 VanDerWaalsContact O-CE2 3.3Å; H310-Y326 WeakPolarHBondContact O-CE2 3.32Å; H310-Y326 PolarHBondContact O-OH 3.44Å; I322-Y326 HydrophobicContact CG2-CE2 4.38Å; Y323-Y326 VanDerWaalsContact CA-CD2 3.47Å; Y323-Y326 PolarHBondContact O-N 3.47Å; Y326-D328 PolarHBondContact O-N 3.13Å; Y326-D328 VanDerWaalsContact O-N 3.1Å; Y326-Y329 VanDerWaalsContact O-CB 3.22Å; Y326-Y329 WeakPolarHBondContact O-CB 3.41Å; Y326-Y329 PolarHBondContact O-N 2.85Å
327P93.6Very high95.6Very high107 Ų10760 Ų6070%0.69532%0.321SS*.THydrogen-bonded Turntrans-56.9-26.9-178.6-26.334.2000115.2V286V286-P327 VanDerWaalsContact CG1-CD 3.45Å; V286-P327 HydrophobicContact CG1-CG 4.05Å
328D94.6Very high95.9Very high20 Ų2056.2 Ų56.211%0.10729%0.29CS..THydrogen-bonded Turntrans-89.7-1.1-179.679.6-63.3000113.5H287 V288 L289 G290 R291 Y326 N330H287-D328 WeakPolarHBondContact O-CB 3.43Å; H287-D328 VanDerWaalsContact O-CG 3.23Å; V288-D328 WeakPolarHBondContact CA-OD2 3.21Å; L289-D328 PolarHBondContact N-OD1 3.31Å; G290-D328 WeakPolarHBondContact CA-OD1 3.49Å; G290-D328 PolarHBondContact N-OD1 3.18Å; G290-D328 PolarHBondContact N-OD2 3.47Å; R291-D328 VanDerWaalsContact CG-O 3.27Å; R291-D328 WeakPolarHBondContact CG-O 3.33Å; R291-D328 WeakPolarHBondContact CG-OD2 3.32Å; R291-D328 IonicContact CZ-OD2 3.87Å; R291-D328 PolarHBondContact N-OD2 2.91Å; R291-D328 IonicContact NE-OD2 3Å; R291-D328 PolarHBondContact NE-OD2 3.41Å; R291-D328 IonicContact NH2-OD2 3.95Å; Y326-D328 PolarHBondContact O-N 3.13Å; Y326-D328 VanDerWaalsContact O-N 3.1Å; D328-N330 PolarHBondContact O-N 2.76Å
329Y96.7Very high96.1Very high71 Ų7159.7 Ų59.728%0.27829%0.293SS..  trans-51.2132.2176.5171.3-111.4000111.1Y323 Q324 Y326 E331 E334Y323-Y329 HydrophobicContact CD2-CD2 4.18Å; Y323-Y329 HydrophobicContact CE2-CD2 4.03Å; Y323-Y329 AromaticContact CE2-CE2 3.98Å; Y323-Y329 HydrophobicContact CE2-CE2 3.98Å; Q324-Y329 HydrophobicContact CB-CD2 4.47Å; Q324-Y329 HydrophobicContact CG-CD2 4.35Å; Q324-Y329 HydrophobicContact CG-CE2 4.07Å; Y326-Y329 VanDerWaalsContact O-CB 3.22Å; Y326-Y329 WeakPolarHBondContact O-CB 3.41Å; Y326-Y329 PolarHBondContact O-N 2.85Å; Y329-E331 HydrophobicContact CE1-CB 4.32Å; Y329-E334 HydrophobicContact CE2-CB 4.31Å; Y329-E334 WeakPolarHBondContact CE2-OE2 3.35Å; Y329-E334 PolarHBondContact OH-OE2 3.25Å
330N96.9Very high96.3Very high60 Ų6056.2 Ų56.232%0.32128%0.276SS..  trans-133106.9-175.1-173.8-61.4000109.7R291 D328 T332 W333 E334R291-N330 HydrophobicContact CG-CB 4.2Å; D328-N330 PolarHBondContact O-N 2.76Å; N330-T332 VanDerWaalsContact C-N 3.32Å; N330-T332 PolarHBondContact O-N 3.45Å; N330-T332 WeakPolarHBondContact OD1-CB 3.31Å; N330-T332 PolarHBondContact OD1-N 2.8Å; N330-W333 HydrophobicContact CB-CB 3.88Å; N330-W333 WeakPolarHBondContact O-CB 3.5Å; N330-W333 PolarHBondContact O-N 3.43Å; N330-W333 PolarHBondContact OD1-N 2.97Å; N330-E334 PolarHBondContact O-N 3.02Å
331E97.8Very high96.2Very high123 Ų12353.3 Ų53.358%0.57526%0.264SS*.Hα-helixtrans-60.8-40.5-178-172.8-179.318000112.3Y329 W333 E334 Q335Y329-E331 HydrophobicContact CE1-CB 4.32Å; E331-W333 VanDerWaalsContact C-N 3.29Å; E331-W333 PolarHBondContact O-N 3.03Å; E331-E334 PolarHBondContact O-N 3.32Å; E331-Q335 WeakPolarHBondContact O-CG 3.44Å; E331-Q335 PolarHBondContact O-N 2.64Å
332T97.8Very high96.1Very high88 Ų8858.1 Ų58.154%0.5428%0.282SS..Hα-helixtrans-60-41.9177.1-55.80000111.4N330 Q335 I336N330-T332 VanDerWaalsContact C-N 3.32Å; N330-T332 PolarHBondContact O-N 3.45Å; N330-T332 WeakPolarHBondContact OD1-CB 3.31Å; N330-T332 PolarHBondContact OD1-N 2.8Å; T332-Q335 PolarHBondContact O-N 3.38Å; T332-I336 HydrophobicContact CG2-CD1 4.48Å; T332-I336 WeakPolarHBondContact O-CG1 3.48Å; T332-I336 PolarHBondContact O-N 2.96Å; T332-I336 VanDerWaalsContact O-N 3.12Å
333W97.7Very high95.8Very high3 Ų361.1 Ų61.11%0.01130%0.298CS..Hα-helixtrans-64.7-44.4175.1174.4-117.6000111.9L238 R241 F242 P243 R291 F295 N330 E331 Q335 I336 C337L238-W333 HydrophobicContact CB-CH2 4.04Å; R241-W333 HydrophobicContact CB-CH2 4.46Å; R241-W333 HydrophobicContact CB-CZ3 3.95Å; R241-W333 WeakPolarHBondContact O-CZ3 3.44Å; F242-W333 HydrophobicContact CB-CH2 4.4Å; F242-W333 HydrophobicContact CD2-CH2 4.42Å; F242-W333 AromaticContact CD2-CZ2 3.77Å; F242-W333 HydrophobicContact CD2-CZ2 3.77Å; P243-W333 VanDerWaalsContact CD-CD2 3.48Å; P243-W333 VanDerWaalsContact CD-CE3 3.48Å; P243-W333 HydrophobicContact CG-CB 3.97Å; P243-W333 HydrophobicContact CG-CD2 3.91Å; P243-W333 HydrophobicContact CG-CE3 4.12Å; P243-W333 HydrophobicContact CG-CG 3.84Å; R291-W333 PolarHBondContact O-NE1 3.1Å; F295-W333 HydrophobicContact CB-CZ2 4.41Å; N330-W333 HydrophobicContact CB-CB 3.88Å; N330-W333 WeakPolarHBondContact O-CB 3.5Å; N330-W333 PolarHBondContact O-N 3.43Å; N330-W333 PolarHBondContact OD1-N 2.97Å; E331-W333 VanDerWaalsContact C-N 3.29Å; E331-W333 PolarHBondContact O-N 3.03Å; W333-Q335 VanDerWaalsContact C-N 3.3Å; W333-Q335 PolarHBondContact O-N 3.07Å; W333-I336 HydrophobicContact CE3-CB 4.33Å; W333-I336 HydrophobicContact CE3-CD1 4.42Å; W333-I336 HydrophobicContact CE3-CG2 4.33Å; W333-I336 HydrophobicContact CZ3-CG2 4.2Å; W333-I336 WeakPolarHBondContact O-CB 3.34Å; W333-I336 PolarHBondContact O-N 3.37Å; W333-C337 PolarHBondContact O-N 2.96Å; W333-C337 PolarHBondContact O-SG 3.01Å
334E98.1Very high95.3Very high15 Ų1563.5 Ų63.57%0.0732%0.318CS..Hα-helixtrans-56.7-45.5175-175.6163.816600111.5R297 W298 Y323 Q324 Y329 N330 E331 I336 C337 E338R297-E334 IonicContact CZ-OE1 3.29Å; R297-E334 IonicContact NH1-OE1 3.63Å; R297-E334 PolarHBondContact NH1-OE1 3.3Å; R297-E334 VanDerWaalsContact NH1-OE1 3.12Å; W298-E334 VanDerWaalsContact NE1-CG 3.28Å; W298-E334 PolarHBondContact NE1-OE1 2.9Å; Y323-E334 WeakPolarHBondContact CE2-OE2 3.47Å; Y323-E334 PolarHBondContact OH-OE1 3.06Å; Y323-E334 PolarHBondContact OH-OE2 3.04Å; Q324-E334 PolarHBondContact NE2-OE2 3.41Å; Y329-E334 HydrophobicContact CE2-CB 4.31Å; Y329-E334 WeakPolarHBondContact CE2-OE2 3.35Å; Y329-E334 PolarHBondContact OH-OE2 3.25Å; N330-E334 PolarHBondContact O-N 3.02Å; E331-E334 PolarHBondContact O-N 3.32Å; E334-I336 PolarHBondContact O-N 2.93Å; E334-C337 WeakPolarHBondContact O-CB 3.4Å; E334-C337 PolarHBondContact O-N 2.95Å; E334-C337 VanDerWaalsContact O-N 3.17Å; E334-E338 WeakPolarHBondContact O-CB 3.49Å; E334-E338 PolarHBondContact O-N 2.95Å
335Q98.1Very high94.6Very high71 Ų7165.3 Ų65.333%0.33233%0.33SS..Hα-helixtrans-62.7-30.2176.5-67.3174.111.600113.1E331 T332 W333 R339E331-Q335 WeakPolarHBondContact O-CG 3.44Å; E331-Q335 PolarHBondContact O-N 2.64Å; T332-Q335 PolarHBondContact O-N 3.38Å; W333-Q335 VanDerWaalsContact C-N 3.3Å; W333-Q335 PolarHBondContact O-N 3.07Å; Q335-R339 VanDerWaalsContact O-CB 3.28Å; Q335-R339 WeakPolarHBondContact O-CB 3.27Å; Q335-R339 VanDerWaalsContact O-CG 3.23Å; Q335-R339 WeakPolarHBondContact O-CG 3.44Å; Q335-R339 PolarHBondContact O-N 2.96Å; Q335-R339 PolarHBondContact O-NE 3.09Å; Q335-R339 VanDerWaalsContact O-NE 3.08Å
336I97.1Very high93.1Very high52 Ų5265.1 Ų65.127%0.26733%0.326SS..Hα-helixtrans-69.9-47.3174.1-70.2165.5000109.8L238 T332 W333 E334 R339 T340L238-I336 HydrophobicContact CD2-CG2 4.26Å; T332-I336 HydrophobicContact CG2-CD1 4.48Å; T332-I336 WeakPolarHBondContact O-CG1 3.48Å; T332-I336 PolarHBondContact O-N 2.96Å; T332-I336 VanDerWaalsContact O-N 3.12Å; W333-I336 HydrophobicContact CE3-CB 4.33Å; W333-I336 HydrophobicContact CE3-CD1 4.42Å; W333-I336 HydrophobicContact CE3-CG2 4.33Å; W333-I336 HydrophobicContact CZ3-CG2 4.2Å; W333-I336 WeakPolarHBondContact O-CB 3.34Å; W333-I336 PolarHBondContact O-N 3.37Å; E334-I336 PolarHBondContact O-N 2.93Å; I336-R339 PolarHBondContact O-N 2.81Å; I336-T340 WeakPolarHBondContact O-CB 3.41Å; I336-T340 PolarHBondContact O-N 3.22Å; I336-T340 PolarHBondContact O-OG1 3.38Å
337C97.4Very high91.9Very high0 Ų070.2 Ų70.20%035%0.349CS..Hα-helixtrans-58.9-49.4176.5-670000111W298 W333 E334 R339 T340 A341W298-C337 HydrophobicContact CB-CB 3.89Å; W298-C337 HydrophobicContact CG-CB 4.33Å; W333-C337 PolarHBondContact O-N 2.96Å; W333-C337 PolarHBondContact O-SG 3.01Å; E334-C337 WeakPolarHBondContact O-CB 3.4Å; E334-C337 PolarHBondContact O-N 2.95Å; E334-C337 VanDerWaalsContact O-N 3.17Å; C337-R339 PolarHBondContact O-N 3.18Å; C337-T340 PolarHBondContact O-N 3.33Å; C337-A341 WeakPolarHBondContact O-CB 3.4Å; C337-A341 PolarHBondContact O-N 3.1Å
338E97.2Very high91Very high44 Ų4467.1 Ų67.121%0.20634%0.336CS..Hα-helixtrans-58.2-50177.8176.9176.9-151.600112W298 E334 T340 A341 R342W298-E338 HydrophobicContact CD2-CB 3.75Å; W298-E338 HydrophobicContact CD2-CG 4.11Å; W298-E338 HydrophobicContact CE3-CB 4.02Å; W298-E338 HydrophobicContact CE3-CG 3.91Å; W298-E338 HydrophobicContact CG-CB 4.17Å; W298-E338 HydrophobicContact CH2-CB 4.33Å; W298-E338 HydrophobicContact CH2-CG 3.72Å; W298-E338 WeakPolarHBondContact CH2-OE1 3.3Å; W298-E338 HydrophobicContact CZ2-CB 4.1Å; W298-E338 HydrophobicContact CZ2-CG 3.93Å; W298-E338 HydrophobicContact CZ3-CB 4.3Å; W298-E338 HydrophobicContact CZ3-CG 3.72Å; E334-E338 WeakPolarHBondContact O-CB 3.49Å; E334-E338 PolarHBondContact O-N 2.95Å; E338-T340 VanDerWaalsContact C-N 3.28Å; E338-T340 PolarHBondContact O-N 3.16Å; E338-A341 PolarHBondContact O-N 2.96Å; E338-R342 WeakPolarHBondContact O-CG 3.22Å; E338-R342 PolarHBondContact O-N 3.01Å; E338-R342 IonicContact OE1-CZ 3.23Å; E338-R342 VanDerWaalsContact OE1-CZ 3.23Å; E338-R342 IonicContact OE1-NE 3.41Å; E338-R342 PolarHBondContact OE1-NE 3.49Å; E338-R342 IonicContact OE1-NH2 2.61Å; E338-R342 PolarHBondContact OE1-NH2 2.89Å
339R95.6Very high89.6Confident141 Ų14171.1 Ų71.153%0.53236%0.357SS..Hα-helixtrans-60.6-40.4178.4-79.4-178.6-97.5-178.5-12.5111.6Q335 I336 C337 L343Q335-R339 VanDerWaalsContact O-CB 3.28Å; Q335-R339 WeakPolarHBondContact O-CB 3.27Å; Q335-R339 VanDerWaalsContact O-CG 3.23Å; Q335-R339 WeakPolarHBondContact O-CG 3.44Å; Q335-R339 PolarHBondContact O-N 2.96Å; Q335-R339 PolarHBondContact O-NE 3.09Å; Q335-R339 VanDerWaalsContact O-NE 3.08Å; I336-R339 PolarHBondContact O-N 2.81Å; C337-R339 PolarHBondContact O-N 3.18Å; R339-L343 WeakPolarHBondContact O-CB 3.38Å; R339-L343 VanDerWaalsContact O-CG 3.27Å; R339-L343 WeakPolarHBondContact O-CG 3.46Å; R339-L343 PolarHBondContact O-N 2.94Å
340T94.7Very high87.8Confident18 Ų1872.7 Ų72.711%0.1137%0.37CS..Hα-helixtrans-66.6-44.5179-53.80000111L238 M299 I336 C337 E338 L343 A344L238-T340 HydrophobicContact CD1-CG2 4.13Å; L238-T340 HydrophobicContact CD2-CG2 4.04Å; L238-T340 HydrophobicContact CG-CG2 4.14Å; M299-T340 HydrophobicContact CE-CG2 3.94Å; M299-T340 HydrophobicContact SD-CG2 4.26Å; I336-T340 WeakPolarHBondContact O-CB 3.41Å; I336-T340 PolarHBondContact O-N 3.22Å; I336-T340 PolarHBondContact O-OG1 3.38Å; C337-T340 PolarHBondContact O-N 3.33Å; E338-T340 VanDerWaalsContact C-N 3.28Å; E338-T340 PolarHBondContact O-N 3.16Å; T340-L343 PolarHBondContact O-N 2.97Å; T340-A344 PolarHBondContact O-N 3.4Å
341A92.9Very high86.6Confident10 Ų1078.9 Ų78.98%0.08339%0.389CS..Hα-helixtrans-58.7-48.8175.700000111.7W298 M299 C337 E338 L343 A344 D345W298-A341 HydrophobicContact CB-CB 4.36Å; W298-A341 WeakPolarHBondContact O-CB 3.47Å; M299-A341 HydrophobicContact SD-CB 4Å; C337-A341 WeakPolarHBondContact O-CB 3.4Å; C337-A341 PolarHBondContact O-N 3.1Å; E338-A341 PolarHBondContact O-N 2.96Å; A341-L343 VanDerWaalsContact C-N 3.32Å; A341-L343 PolarHBondContact O-N 3.41Å; A341-A344 WeakPolarHBondContact O-CB 3.46Å; A341-A344 PolarHBondContact O-N 3.2Å; A341-A344 VanDerWaalsContact O-N 3.1Å; A341-D345 PolarHBondContact O-N 2.9Å
342R92.5Very high85.2Confident148 Ų14875.5 Ų75.556%0.55838%0.382SS*.Hα-helixtrans-59.7-40.1177-69.6176.3-178.1-161.70.9112.5E338 D345 M346E338-R342 WeakPolarHBondContact O-CG 3.22Å; E338-R342 PolarHBondContact O-N 3.01Å; E338-R342 IonicContact OE1-CZ 3.23Å; E338-R342 VanDerWaalsContact OE1-CZ 3.23Å; E338-R342 IonicContact OE1-NE 3.41Å; E338-R342 PolarHBondContact OE1-NE 3.49Å; E338-R342 IonicContact OE1-NH2 2.61Å; E338-R342 PolarHBondContact OE1-NH2 2.89Å; R342-D345 PolarHBondContact O-N 3.11Å; R342-M346 VanDerWaalsContact O-CG 3.3Å; R342-M346 WeakPolarHBondContact O-CG 3.42Å; R342-M346 PolarHBondContact O-N 3.45Å
343L89.8Confident83.9Confident100 Ų10074 Ų7452%0.52437%0.373SS..Hα-helixtrans-68.5-35.8176.2-72.8171.8000112.3R339 T340 A341 K347R339-L343 WeakPolarHBondContact O-CB 3.38Å; R339-L343 VanDerWaalsContact O-CG 3.27Å; R339-L343 WeakPolarHBondContact O-CG 3.46Å; R339-L343 PolarHBondContact O-N 2.94Å; T340-L343 PolarHBondContact O-N 2.97Å; A341-L343 VanDerWaalsContact C-N 3.32Å; A341-L343 PolarHBondContact O-N 3.41Å; L343-K347 WeakPolarHBondContact O-CG 3.37Å; L343-K347 PolarHBondContact O-N 3.01Å
344A86Confident82.9Confident50 Ų5076.9 Ų76.941%0.41339%0.386SS..Hα-helixtrans-65.9-43.4175.100000111.3T340 A341 M346 K347 G348T340-A344 PolarHBondContact O-N 3.4Å; A341-A344 WeakPolarHBondContact O-CB 3.46Å; A341-A344 PolarHBondContact O-N 3.2Å; A341-A344 VanDerWaalsContact O-N 3.1Å; A344-M346 PolarHBondContact O-N 2.86Å; A344-K347 PolarHBondContact O-N 2.92Å; A344-G348 PolarHBondContact O-N 3.19Å
345D81.4Confident81.9Confident111 Ų11182.5 Ų82.559%0.59441%0.414SS*.Hα-helixtrans-61.3-44174.6-76-15.5000111.7A341 R342 K347 G348 I349A341-D345 PolarHBondContact O-N 2.9Å; R342-D345 PolarHBondContact O-N 3.11Å; D345-K347 PolarHBondContact O-N 2.96Å; D345-G348 WeakPolarHBondContact O-CA 3.44Å; D345-G348 PolarHBondContact O-N 3.48Å; D345-G348 VanDerWaalsContact O-N 3.11Å; D345-I349 WeakPolarHBondContact O-CG1 3.4Å; D345-I349 PolarHBondContact O-N 2.76Å
346M63.9Low80.9Confident111 Ų11183.5 Ų83.555%0.54743%0.425SS..Hα-helixtrans-59.9-43.8175.2-74.7-178.968.900112.1R342 A344 G348 I349 D350R342-M346 VanDerWaalsContact O-CG 3.3Å; R342-M346 WeakPolarHBondContact O-CG 3.42Å; R342-M346 PolarHBondContact O-N 3.45Å; A344-M346 PolarHBondContact O-N 2.86Å; M346-G348 VanDerWaalsContact C-N 3.28Å; M346-G348 PolarHBondContact O-N 2.84Å; M346-I349 PolarHBondContact O-N 3.33Å; M346-D350 PolarHBondContact O-N 3.18Å
347K71.2Confident80.2Confident132 Ų13287.9 Ų87.957%0.57444%0.438SS*.Hα-helixtrans-64-34.8174.6-73175.4-176.8174.90112.1L343 A344 D345 R351L343-K347 WeakPolarHBondContact O-CG 3.37Å; L343-K347 PolarHBondContact O-N 3.01Å; A344-K347 PolarHBondContact O-N 2.92Å; D345-K347 PolarHBondContact O-N 2.96Å; K347-R351 WeakPolarHBondContact O-CB 3.34Å; K347-R351 WeakPolarHBondContact O-CG 3.48Å; K347-R351 PolarHBondContact O-N 2.93Å
348G72.7Confident79.4Confident41 Ų4192.9 Ų92.942%0.42346%0.461SS..Hα-helixtrans-62.6-45.6172.900000111.8A344 D345 M346 R351 A352A344-G348 PolarHBondContact O-N 3.19Å; D345-G348 WeakPolarHBondContact O-CA 3.44Å; D345-G348 PolarHBondContact O-N 3.48Å; D345-G348 VanDerWaalsContact O-N 3.11Å; M346-G348 VanDerWaalsContact C-N 3.28Å; M346-G348 PolarHBondContact O-N 2.84Å; G348-R351 PolarHBondContact O-N 3.33Å; G348-A352 WeakPolarHBondContact O-CB 3.36Å; G348-A352 PolarHBondContact O-N 2.92Å
349I65.7Low78.6Confident105 Ų10593.7 Ų93.754%0.53848%0.475SS..Hα-helixtrans-62.9-47175-67.3163.7000110.5D345 M346 R351 A352 V353D345-I349 WeakPolarHBondContact O-CG1 3.4Å; D345-I349 PolarHBondContact O-N 2.76Å; M346-I349 PolarHBondContact O-N 3.33Å; I349-R351 VanDerWaalsContact C-N 3.31Å; I349-R351 PolarHBondContact O-N 3.21Å; I349-A352 CarbonylContact O-C 3.57Å; I349-A352 PolarHBondContact O-N 3.45Å; I349-A352 VanDerWaalsContact O-N 3.12Å; I349-V353 HydrophobicContact CG2-CG2 4.16Å; I349-V353 WeakPolarHBondContact O-CB 3.46Å; I349-V353 VanDerWaalsContact O-CG2 3.29Å; I349-V353 WeakPolarHBondContact O-CG2 3.35Å; I349-V353 PolarHBondContact O-N 3.48Å
350D60.4Low78Confident104 Ų10490.7 Ų90.756%0.55647%0.473SS*.Hα-helixtrans-60.3-41.4178.5-74.5-26.3000111.7M346 V353 E354M346-D350 PolarHBondContact O-N 3.18Å; D350-V353 PolarHBondContact O-N 2.75Å; D350-E354 WeakPolarHBondContact O-CB 3.47Å; D350-E354 PolarHBondContact O-N 2.98Å
351R69.9Low77.4Confident190 Ų19097.4 Ų97.472%0.71750%0.496SS*.Hα-helixtrans-62.8-45172.8-78.6-179-175.8176.42.9111.7K347 G348 I349 E354 M355K347-R351 WeakPolarHBondContact O-CB 3.34Å; K347-R351 WeakPolarHBondContact O-CG 3.48Å; K347-R351 PolarHBondContact O-N 2.93Å; G348-R351 PolarHBondContact O-N 3.33Å; I349-R351 VanDerWaalsContact C-N 3.31Å; I349-R351 PolarHBondContact O-N 3.21Å; R351-E354 PolarHBondContact O-N 2.73Å; R351-M355 VanDerWaalsContact O-CG 3.31Å; R351-M355 WeakPolarHBondContact O-CG 3.02Å; R351-M355 PolarHBondContact O-N 2.88Å
352A69.2Low76.8Confident51 Ų51100.4 Ų100.442%0.42151%0.513SS..Hα-helixtrans-62.6-42.8177.400000111.6G348 I349 E354 M355 V356G348-A352 WeakPolarHBondContact O-CB 3.36Å; G348-A352 PolarHBondContact O-N 2.92Å; I349-A352 CarbonylContact O-C 3.57Å; I349-A352 PolarHBondContact O-N 3.45Å; I349-A352 VanDerWaalsContact O-N 3.12Å; A352-E354 PolarHBondContact O-N 2.85Å; A352-M355 PolarHBondContact O-N 3.34Å; A352-V356 WeakPolarHBondContact O-CG2 3.21Å; A352-V356 PolarHBondContact O-N 3.01Å
353V70.2Confident76Confident58 Ų5899.7 Ų99.735%0.35252%0.515SS..Hα-helixtrans-61.6-43.4175.2169.20000110.7I349 D350 V356 R357I349-V353 HydrophobicContact CG2-CG2 4.16Å; I349-V353 WeakPolarHBondContact O-CB 3.46Å; I349-V353 VanDerWaalsContact O-CG2 3.29Å; I349-V353 WeakPolarHBondContact O-CG2 3.35Å; I349-V353 PolarHBondContact O-N 3.48Å; D350-V353 PolarHBondContact O-N 2.75Å; V353-V356 PolarHBondContact O-N 2.98Å; V353-R357 WeakPolarHBondContact O-CG 3.24Å; V353-R357 PolarHBondContact O-N 2.89Å
354E76.6Confident75.4Confident63 Ų6397.8 Ų97.829%0.29451%0.51SS..Hα-helixtrans-67.3-39.1177.2-170.255.1-150.100111.9D350 R351 A352 V356 R357 Q358D350-E354 WeakPolarHBondContact O-CB 3.47Å; D350-E354 PolarHBondContact O-N 2.98Å; R351-E354 PolarHBondContact O-N 2.73Å; A352-E354 PolarHBondContact O-N 2.85Å; E354-V356 VanDerWaalsContact C-N 3.34Å; E354-V356 PolarHBondContact O-N 2.87Å; E354-R357 WeakPolarHBondContact O-CB 3.15Å; E354-R357 PolarHBondContact O-N 3.1Å; E354-R357 WeakPolarHBondContact OE2-CD 3.48Å; E354-R357 IonicContact OE2-NH1 3.67Å; E354-Q358 WeakPolarHBondContact O-CG 3.33Å; E354-Q358 PolarHBondContact O-N 3.29Å
355M76.8Confident74.9Confident133 Ų133100.5 Ų100.566%0.65552%0.517SS*.Hα-helixtrans-60.1-42.9172.2-73.9179.26900111.8R351 A352 Q358 A359R351-M355 VanDerWaalsContact O-CG 3.31Å; R351-M355 WeakPolarHBondContact O-CG 3.02Å; R351-M355 PolarHBondContact O-N 2.88Å; A352-M355 PolarHBondContact O-N 3.34Å; M355-Q358 PolarHBondContact O-N 2.91Å; M355-A359 WeakPolarHBondContact O-CB 3.27Å; M355-A359 PolarHBondContact O-N 3.05Å
356V77Confident74.5Confident92 Ų92103.9 Ų103.956%0.55852%0.521SS*.Hα-helixtrans-64-41.1175.3171.30000111.1A352 V353 E354 A359 T360A352-V356 WeakPolarHBondContact O-CG2 3.21Å; A352-V356 PolarHBondContact O-N 3.01Å; V353-V356 PolarHBondContact O-N 2.98Å; E354-V356 VanDerWaalsContact C-N 3.34Å; E354-V356 PolarHBondContact O-N 2.87Å; V356-A359 PolarHBondContact O-N 2.75Å; V356-T360 WeakPolarHBondContact O-CB 3.4Å; V356-T360 PolarHBondContact O-N 2.93Å; V356-T360 PolarHBondContact O-OG1 3.46Å
357R82.8Confident74.5Confident143 Ų143108 Ų10854%0.5453%0.531SS..Hα-helixtrans-62.4-43.7174.9-74.8172.9177.9166.51.7111.7V353 E354 T360 R361V353-R357 WeakPolarHBondContact O-CG 3.24Å; V353-R357 PolarHBondContact O-N 2.89Å; E354-R357 WeakPolarHBondContact O-CB 3.15Å; E354-R357 PolarHBondContact O-N 3.1Å; E354-R357 WeakPolarHBondContact OE2-CD 3.48Å; E354-R357 IonicContact OE2-NH1 3.67Å; R357-T360 PolarHBondContact O-N 3.02Å; R357-R361 WeakPolarHBondContact O-CB 2.8Å; R357-R361 WeakPolarHBondContact O-CG 3.21Å; R357-R361 PolarHBondContact O-N 2.87Å
358Q80.7Confident74.3Confident106 Ų106110 Ų11050%0.49554%0.54SS..Hα-helixtrans-64.7-42.9176.6-72.81805.100112E354 M355 T360 R361 T362E354-Q358 WeakPolarHBondContact O-CG 3.33Å; E354-Q358 PolarHBondContact O-N 3.29Å; M355-Q358 PolarHBondContact O-N 2.91Å; Q358-T360 VanDerWaalsContact C-N 3.35Å; Q358-T360 PolarHBondContact O-N 3.11Å; Q358-R361 PolarHBondContact O-N 3.27Å; Q358-T362 WeakPolarHBondContact O-CB 3.33Å; Q358-T362 PolarHBondContact O-N 3.04Å; Q358-T362 PolarHBondContact O-OG1 3.1Å
359A80.3Confident73.6Confident60 Ų60114.3 Ų114.350%0.49655%0.552SS.*Hα-helixtrans-60.8-43.8174.200000111.6M355 V356 T362 F363M355-A359 WeakPolarHBondContact O-CB 3.27Å; M355-A359 PolarHBondContact O-N 3.05Å; V356-A359 PolarHBondContact O-N 2.75Å; A359-T362 PolarHBondContact O-N 3.4Å; A359-F363 WeakPolarHBondContact O-CB 3Å; A359-F363 PolarHBondContact O-N 3.09Å
360T82.8Confident73.1Confident78 Ų78119.1 Ų119.148%0.47956%0.564SS.*Hα-helixtrans-65.9-40.1178.3-54.30000112.1V356 R357 Q358 F363 S364V356-T360 WeakPolarHBondContact O-CB 3.4Å; V356-T360 PolarHBondContact O-N 2.93Å; V356-T360 PolarHBondContact O-OG1 3.46Å; R357-T360 PolarHBondContact O-N 3.02Å; Q358-T360 VanDerWaalsContact C-N 3.35Å; Q358-T360 PolarHBondContact O-N 3.11Å; T360-F363 PolarHBondContact O-N 2.79Å; T360-S364 WeakPolarHBondContact O-CB 3.22Å; T360-S364 PolarHBondContact O-N 3.29Å; T360-S364 PolarHBondContact O-OG 3.15Å
361R82.9Confident72.8Confident159 Ų159118.5 Ų118.560%0.657%0.566SS**Hα-helixtrans-62.3-46.1173.3-76.5177-178.1166.33.2111.2R357 Q358 F363 S364 L365R357-R361 WeakPolarHBondContact O-CB 2.8Å; R357-R361 WeakPolarHBondContact O-CG 3.21Å; R357-R361 PolarHBondContact O-N 2.87Å; Q358-R361 PolarHBondContact O-N 3.27Å; R361-F363 VanDerWaalsContact C-N 3.33Å; R361-F363 PolarHBondContact O-N 2.93Å; R361-S364 PolarHBondContact O-N 2.92Å; R361-L365 WeakPolarHBondContact O-CG 3.37Å; R361-L365 PolarHBondContact O-N 3.39Å
362T81.1Confident72.2Confident73 Ų73118.3 Ų118.345%0.44858%0.578SS.*Hα-helixtrans-62.1-41.6177.9-540000111.5Q358 A359 L365 R366Q358-T362 WeakPolarHBondContact O-CB 3.33Å; Q358-T362 PolarHBondContact O-N 3.04Å; Q358-T362 PolarHBondContact O-OG1 3.1Å; A359-T362 PolarHBondContact O-N 3.4Å; T362-L365 PolarHBondContact O-N 3.21Å; T362-R366 WeakPolarHBondContact O-CG 3.43Å; T362-R366 PolarHBondContact O-N 2.78Å
363F75.3Confident71.3Confident133 Ų133124.1 Ų124.158%0.58359%0.594SS**Hα-helixtrans-64.7-42.1175.5-167-93.6000112.1A359 T360 R361 R366 R367A359-F363 WeakPolarHBondContact O-CB 3Å; A359-F363 PolarHBondContact O-N 3.09Å; T360-F363 PolarHBondContact O-N 2.79Å; R361-F363 VanDerWaalsContact C-N 3.33Å; R361-F363 PolarHBondContact O-N 2.93Å; F363-R366 PolarHBondContact O-N 2.93Å; F363-R367 PolarHBondContact O-N 3.05Å
364S77.3Confident70.5Confident60 Ų60130.7 Ų130.742%0.4261%0.612SS.*Hα-helixtrans-64.8-38.5177.2-59.50000112.4T360 R361 R367 K368T360-S364 WeakPolarHBondContact O-CB 3.22Å; T360-S364 PolarHBondContact O-N 3.29Å; T360-S364 PolarHBondContact O-OG 3.15Å; R361-S364 PolarHBondContact O-N 2.92Å; S364-R367 PolarHBondContact O-N 3.38Å; S364-K368 PolarHBondContact O-N 2.77Å
365L75.3Confident69.1Low107 Ų107140.2 Ų140.256%0.5665%0.645SS**Hα-helixtrans-65.6-46.4174.6-71.7167.7000111.4R361 T362 R367 K368 D369R361-L365 WeakPolarHBondContact O-CG 3.37Å; R361-L365 PolarHBondContact O-N 3.39Å; T362-L365 PolarHBondContact O-N 3.21Å; L365-R367 PolarHBondContact O-N 2.74Å; L365-K368 PolarHBondContact O-N 3.1Å; L365-D369 PolarHBondContact O-N 2.78Å; L365-D369 VanDerWaalsContact O-N 3.15Å
366R71.8Confident68.2Low183 Ų183138.7 Ų138.769%0.69165%0.654SS**Hα-helixtrans-60.3-29.2175.3-75.6-176177.8-170.20.2113.5T362 F363 R370T362-R366 WeakPolarHBondContact O-CG 3.43Å; T362-R366 PolarHBondContact O-N 2.78Å; F363-R366 PolarHBondContact O-N 2.93Å; R366-R370 PolarHBondContact O-N 3.48Å
367R65.2Low67.1Low197 Ų197138 Ų13874%0.74365%0.653SS**Hα-helixtrans-70.5-32.1175.1-118.8-175.6176.4-179.7-0.9112.7F363 S364 L365F363-R367 PolarHBondContact O-N 3.05Å; S364-R367 PolarHBondContact O-N 3.38Å; L365-R367 PolarHBondContact O-N 2.74Å
368K65.3Low65.7Low175 Ų175139.7 Ų139.776%0.76167%0.667SS**Hα-helixtrans-75.6-33.7176.2-70.2-175177.3-176.10112.1S364 L365S364-K368 PolarHBondContact O-N 2.77Å; L365-K368 PolarHBondContact O-N 3.1Å
369D59.5Low64.3Low130 Ų130145.2 Ų145.270%0.69568%0.684SS**Hα-helixtrans-89.4-3.5-177.4-68.3-25000114.9L365 P371L365-D369 PolarHBondContact O-N 2.78Å; L365-D369 VanDerWaalsContact O-N 3.15Å; D369-P371 WeakPolarHBondContact O-CD 3.23Å
370R54.8Low62.7Low206 Ų206150.5 Ų150.578%0.77770%0.698SS**SBendtrans-86.496.4161.1-75.1-167.1-174.1-163.32.1107.4R366 L372R366-R370 PolarHBondContact O-N 3.48Å; R370-L372 PolarHBondContact O-N 2.98Å
371P54.4Low61.1Low91 Ų91152.7 Ų152.759%0.59171%0.713SS**  trans-53.1126.3165.323.6-32.1000106.7D369 K373D369-P371 WeakPolarHBondContact O-CD 3.23Å; P371-K373 HydrophobicContact CB-CB 4.06Å; P371-K373 HydrophobicContact CB-CD 4.08Å; P371-K373 HydrophobicContact CB-CG 3.93Å; P371-K373 HydrophobicContact CG-CB 4.48Å; P371-K373 HydrophobicContact CG-CD 4.48Å; P371-K373 PolarHBondContact O-N 2.77Å
372L56Low59.6Low187 Ų187160.3 Ų160.398%0.97974%0.742SS**  trans-62.534.9164.1-91.8147.7000110.9R370 R374R370-L372 PolarHBondContact O-N 2.98Å; L372-R374 PolarHBondContact O-N 2.86Å; L372-R374 VanDerWaalsContact O-N 3.13Å
373K51.7Low58.6Low172 Ų172164.7 Ų164.775%0.74876%0.757SS**  trans-75.6104177-88.6-179.3176.9-179.20107.6P371P371-K373 HydrophobicContact CB-CB 4.06Å; P371-K373 HydrophobicContact CB-CD 4.08Å; P371-K373 HydrophobicContact CB-CG 3.93Å; P371-K373 HydrophobicContact CG-CB 4.48Å; P371-K373 HydrophobicContact CG-CD 4.48Å; P371-K373 PolarHBondContact O-N 2.77Å
374R52.3Low57.7Low197 Ų197166.3 Ų166.374%0.74377%0.766SS**SBendtrans75.353.9143.9-65.3-175.7176.5173.9-3.3117.7L372 A376L372-R374 PolarHBondContact O-N 2.86Å; L372-R374 VanDerWaalsContact O-N 3.13Å; R374-A376 VanDerWaalsContact C-N 3.3Å
375W48.6Very low56.6Low262 Ų262172.2 Ų172.299%0.99279%0.785SS**SBendtrans-86.4-5.7145.4-98.862.4000113
376A56.1Low55.5Low102 Ų102176.1 Ų176.184%0.84380%0.798SS**SBendtrans-91.85.7179.300000114.9R374R374-A376 VanDerWaalsContact C-N 3.3Å
377S55.7Low54.5Low76 Ų76175.6 Ų175.653%0.53181%0.805SS.*SBendtrans-114.610.6-178.363.70000116
378E51.9Low53.8Low180 Ų180174.2 Ų174.284%0.84181%0.809SS**SBendtrans-112.713.2175.7-75.7-175.5176.400114.2
379R52.1Low52.9Low222 Ų222174.1 Ų174.184%0.83881%0.813SS**SBendtrans-96.4109.3162.4-68.6-167.9-171.3-1713.2109.5
380H45.9Very low52.4Low171 Ų171177.5 Ų177.579%0.79282%0.822SS**  trans88.3110.9171.9-54.8-62.2000116
381P50.7Low52.2Low124 Ų124175.2 Ų175.281%0.80583%0.825SS**  -133.6117.2107.333.3-19.9000112.1
382R51.7Low52Low318 Ų318182.8 Ų182.8100%1.285%0.847SS**  trans57.70156-65.1-174.8-179.3-171.5-0.1118.8

Retrieved 382 of 382 residues in 313.4 ms (Link to these results)

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