A0A077ZMM6_TRITR Loading...

CK1:TTBK protein kinase

AlphaFold DB , UniProt , Accession A0A077ZMM6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 328 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
1M36.8Very low37.1Very low251 Ų251136.8 Ų136.8100%1.23684%0.844SS**  099.10-71.5-143-101.700108
2A36.5Very low37.5Very low109 Ų109137.3 Ų137.390%0.90184%0.837SS**  trans-159.793.1165.600000104.6
3D36.6Very low37.5Very low176 Ų176133.7 Ų133.794%0.94182%0.821SS**  trans-93.7151.8178.8-154.1-4.8000108.2
4G37.9Very low38.4Very low67 Ų67133.1 Ų133.169%0.69182%0.821SS**  trans114.169.9167.400000116.3
5T36.1Very low40.1Very low141 Ų141135.9 Ų135.987%0.86581%0.81SS**  trans-91.6128.3148.834.80000109
6P41.4Very low42.3Very low125 Ų125142 Ų14281%0.81282%0.815SS**  trans-77.6142.4-168.876.4000112.8G8P6-G8 PolarHBondContact O-N 2.97Å
7D38.4Very low44.6Very low152 Ų152138.2 Ų138.281%0.81380%0.796SS**  trans-51.399.9168.7-177.69.8000111.1S9D7-S9 VanDerWaalsContact C-N 3.29Å; D7-S9 PolarHBondContact O-N 3.01Å
8G36.1Very low47.1Very low61 Ų61133 Ų13363%0.62977%0.765SS**  trans-70.588.9170.600000109.1P6 R10P6-G8 PolarHBondContact O-N 2.97Å; G8-R10 PolarHBondContact O-N 3.2Å
9S35.9Very low49.6Very low112 Ų112126.3 Ų126.378%0.78373%0.726SS**  trans-42.7100.2160.548.20000109.5D7 G11D7-S9 VanDerWaalsContact C-N 3.29Å; D7-S9 PolarHBondContact O-N 3.01Å; S9-G11 PolarHBondContact O-N 3.22Å
10R38.5Very low51.7Low244 Ų244121.7 Ų121.792%0.92171%0.707SS**  trans-67.887.4171.1-79.5-179.1174.3178.9-1.3107G8 D12G8-R10 PolarHBondContact O-N 3.2Å; R10-D12 PolarHBondContact O-N 3Å; R10-D12 VanDerWaalsContact O-N 3.14Å
11G33.8Very low53.8Low67 Ų67122.3 Ų122.369%0.69171%0.706SS**  trans-55.2116.7163.100000107.7S9 S13S9-G11 PolarHBondContact O-N 3.22Å; G11-S13 PolarHBondContact O-N 3.46Å
12D42.5Very low56.6Low143 Ų143112.7 Ų112.777%0.76567%0.671SS**  trans-67.489.6176.8-147.78.3000106.8R10R10-D12 PolarHBondContact O-N 3Å; R10-D12 VanDerWaalsContact O-N 3.14Å
13S37.3Very low59.4Low90 Ų90110.6 Ų110.663%0.62964%0.643SS**PPolyproline II helixtrans-54.8132.2175.451.40000108G11 R15G11-S13 PolarHBondContact O-N 3.46Å; S13-R15 PolarHBondContact O-N 3.5Å
14P50.2Low62.1Low126 Ų126105 Ų10582%0.81862%0.615SS**PPolyproline II helixtrans-53.8121.8-176.118.5-29.6000109.3R16P14-R16 PolarHBondContact O-N 3.22Å
15R64.3Low64.8Low175 Ų175101.8 Ų101.866%0.6658%0.582SS**PPolyproline II helixtrans-55.1133.2-178-70.4-179.2178-175.51.4108.5S13S13-R15 PolarHBondContact O-N 3.5Å
16R74.1Confident67.4Low233 Ų23399.5 Ų99.588%0.87956%0.564SS**PPolyproline II helixtrans-54.6135.2175.7-76.5-175.4-178.8-178.90.4109.1P14 L18P14-R16 PolarHBondContact O-N 3.22Å; R16-L18 PolarHBondContact O-N 2.89Å
17P81.8Confident69.8Low77 Ų7799.9 Ų99.950%0.556%0.56SS.*PPolyproline II helixtrans-59.7139.4178.525.1-32.9000109.8F19P17-F19 PolarHBondContact O-N 3.07Å
18L90.5Very high72.5Confident45 Ų4597.7 Ų97.724%0.23654%0.54CS..SBendtrans-64.5-32.9179.6-58.7176.6000111.6R16 Y44 A59 R61 V97R16-L18 PolarHBondContact O-N 2.89Å; L18-Y44 WeakPolarHBondContact CB-OH 3.37Å; L18-Y44 PolarHBondContact N-OH 3.49Å; L18-A59 HydrophobicContact CD1-CB 4.08Å; L18-A59 WeakPolarHBondContact CD1-O 3.42Å; L18-R61 HydrophobicContact CD2-CG 3.61Å; L18-V97 HydrophobicContact CB-CG1 4.19Å; L18-V97 HydrophobicContact CB-CG2 4.27Å; L18-V97 HydrophobicContact CD1-CG1 4.18Å; L18-V97 HydrophobicContact CD2-CG2 4.23Å
19F93.5Very high75.3Confident6 Ų695 Ų953%0.02651%0.511CS..SBendtrans-130.3141.6174.9-58-50.3000111.4P17 Q23 I25 I31 Y44 V57 A59 V97 Y99P17-F19 PolarHBondContact O-N 3.07Å; F19-Q23 VanDerWaalsContact CA-OE1 3.23Å; F19-I25 HydrophobicContact CD1-CD1 4.34Å; F19-I25 HydrophobicContact CD2-CD1 3.58Å; F19-I25 HydrophobicContact CE1-CD1 4.33Å; F19-I25 HydrophobicContact CE2-CD1 3.53Å; F19-I25 HydrophobicContact CG-CD1 3.99Å; F19-I25 HydrophobicContact CZ-CD1 3.94Å; F19-I31 HydrophobicContact CB-CG1 3.98Å; F19-Y44 HydrophobicContact CB-CE1 4.27Å; F19-Y44 HydrophobicContact CB-CE2 4.42Å; F19-Y44 HydrophobicContact CD2-CD2 4.05Å; F19-Y44 AromaticContact CD2-CE2 3.83Å; F19-Y44 HydrophobicContact CD2-CE2 3.83Å; F19-Y44 PolarHBondContact N-OH 3.05Å; F19-Y44 WeakPolarHBondContact O-CE1 3.25Å; F19-V57 HydrophobicContact CE2-CG1 4.25Å; F19-A59 HydrophobicContact CD2-CB 4.03Å; F19-A59 HydrophobicContact CE2-CB 3.46Å; F19-A59 VanDerWaalsContact CE2-CB 3.46Å; F19-A59 HydrophobicContact CZ-CB 4.29Å; F19-V97 HydrophobicContact CE1-CB 4.22Å; F19-V97 HydrophobicContact CE1-CG1 3.94Å; F19-V97 HydrophobicContact CE2-CG1 3.99Å; F19-V97 HydrophobicContact CZ-CB 4.1Å; F19-V97 HydrophobicContact CZ-CG1 3.43Å; F19-V97 VanDerWaalsContact CZ-CG1 3.43Å; F19-Y99 HydrophobicContact CZ-CD1 4.48Å
20G92.9Very high78.3Confident33 Ų3392.5 Ų92.534%0.3449%0.488SS..  trans-87.1151.7176.100000112.7G22 Q23 I31G20-G22 PolarHBondContact O-N 3.34Å; G20-Q23 WeakPolarHBondContact O-CB 3.44Å; G20-Q23 PolarHBondContact O-N 3.15Å; G20-I31 WeakPolarHBondContact O-CB 3.43Å
21I94.7Very high81.1Confident135 Ų13580.9 Ų80.969%0.69244%0.444SS*.THydrogen-bonded Turntrans-61134.7169.5-62174.9000108.9Q23I21-Q23 VanDerWaalsContact C-N 3.28Å; I21-Q23 PolarHBondContact O-N 3.09Å
22G94.9Very high84.1Confident49 Ų4980.5 Ų80.551%0.50543%0.429SS..THydrogen-bonded Turntrans85.6-10.8-17400000114.4G20 I31G20-G22 PolarHBondContact O-N 3.34Å; G22-I31 PolarHBondContact N-O 2.95Å
23Q95.4Very high86.6Confident66 Ų6674.6 Ų74.631%0.30840%0.401SS..PPolyproline II helixtrans-64.2137175.3-175.6174.4-9.200110.7F19 G20 I21 I30 I31F19-Q23 VanDerWaalsContact CA-OE1 3.23Å; G20-Q23 WeakPolarHBondContact O-CB 3.44Å; G20-Q23 PolarHBondContact O-N 3.15Å; I21-Q23 VanDerWaalsContact C-N 3.28Å; I21-Q23 PolarHBondContact O-N 3.09Å; Q23-I30 WeakPolarHBondContact O-CA 3.45Å; Q23-I31 PolarHBondContact O-N 2.78Å
24V94.9Very high89.3Confident57 Ų5775.8 Ų75.835%0.34539%0.392SS..EExtended strand (participates in β ladder)trans-97.5124175-169.60000109.7W29 I30 K49V24-W29 CarbonylContact C-O 3.59Å; V24-W29 WeakPolarHBondContact CA-O 3.5Å; V24-I30 HydrophobicContact CG2-CG1 4.13Å; V24-K49 HydrophobicContact CG1-CD 3.71Å
25I93.3Very high91.2Very high0 Ų074.2 Ų74.20%038%0.376CS..EExtended strand (participates in β ladder)trans-99.8125.4176-63.9177.3000108.2F19 D27 R28 W29 I31 V57 I94 Y99F19-I25 HydrophobicContact CD1-CD1 4.34Å; F19-I25 HydrophobicContact CD2-CD1 3.58Å; F19-I25 HydrophobicContact CE1-CD1 4.33Å; F19-I25 HydrophobicContact CE2-CD1 3.53Å; F19-I25 HydrophobicContact CG-CD1 3.99Å; F19-I25 HydrophobicContact CZ-CD1 3.94Å; I25-D27 PolarHBondContact O-N 3.24Å; I25-R28 PolarHBondContact O-N 3.2Å; I25-R28 VanDerWaalsContact O-N 3.1Å; I25-W29 HydrophobicContact CB-CB 4.28Å; I25-W29 PolarHBondContact N-O 3.5Å; I25-W29 PolarHBondContact O-N 3.05Å; I25-I31 HydrophobicContact CD1-CD1 3.51Å; I25-I31 HydrophobicContact CD1-CG1 3.87Å; I25-I31 HydrophobicContact CG1-CD1 4.42Å; I25-I31 HydrophobicContact CG1-CG1 4.38Å; I25-V57 HydrophobicContact CD1-CG1 3.87Å; I25-I94 HydrophobicContact CB-CD1 4.04Å; I25-I94 HydrophobicContact CG1-CD1 4.17Å; I25-I94 HydrophobicContact CG2-CD1 3.63Å; I25-Y99 HydrophobicContact CG2-CD1 4.21Å; I25-Y99 HydrophobicContact CG2-CD2 3.75Å; I25-Y99 HydrophobicContact CG2-CE1 3.89Å; I25-Y99 HydrophobicContact CG2-CE2 3.38Å; I25-Y99 HydrophobicContact CG2-CG 4.16Å; I25-Y99 VanDerWaalsContact CG2-CZ 3.47Å
26N90.5Very high92.2Very high93 Ų9367.3 Ų67.350%0.49736%0.359SS..THydrogen-bonded Turntrans51.140.6177.5-163.425.4000113.3R28 Y99N26-R28 WeakPolarHBondContact O-CB 3.49Å; N26-R28 PolarHBondContact O-N 3.22Å; N26-Y99 WeakPolarHBondContact CB-OH 3.32Å
27D92.1Very high92.7Very high134 Ų13461 Ų6172%0.71734%0.339SS*.THydrogen-bonded Turntrans53.29.8-177.2-64.4-47.2000116.6I25 K49I25-D27 PolarHBondContact O-N 3.24Å; D27-K49 WeakPolarHBondContact O-CD 3.5Å; D27-K49 PolarHBondContact O-NZ 2.78Å
28R94.6Very high92.1Very high105 Ų10559.8 Ų59.840%0.39634%0.341SS..THydrogen-bonded Turntrans-126.6-36.4-167.5-175.5173.3175.6163.5-0.4114.1I25 N26 K49I25-R28 PolarHBondContact O-N 3.2Å; I25-R28 VanDerWaalsContact O-N 3.1Å; N26-R28 WeakPolarHBondContact O-CB 3.49Å; N26-R28 PolarHBondContact O-N 3.22Å; R28-K49 WeakPolarHBondContact O-CB 3.37Å; R28-K49 PolarHBondContact O-N 3.42Å
29W96.3Very high91.2Very high6 Ų662.1 Ų62.12%0.02336%0.361CS..EExtended strand (participates in β ladder)trans-114.7117.3-171.2-49.1106.4000110.9V24 I25 A46 V55 Y89 V101V24-W29 CarbonylContact C-O 3.59Å; V24-W29 WeakPolarHBondContact CA-O 3.5Å; I25-W29 HydrophobicContact CB-CB 4.28Å; I25-W29 PolarHBondContact N-O 3.5Å; I25-W29 PolarHBondContact O-N 3.05Å; W29-A46 HydrophobicContact CB-CB 4.44Å; W29-V55 HydrophobicContact CD2-CG2 4.36Å; W29-V55 HydrophobicContact CE3-CG1 4.35Å; W29-V55 HydrophobicContact CE3-CG2 3.59Å; W29-V55 HydrophobicContact CH2-CG1 4.2Å; W29-V55 HydrophobicContact CZ3-CB 4.35Å; W29-V55 HydrophobicContact CZ3-CG1 3.65Å; W29-V55 HydrophobicContact CZ3-CG2 3.77Å; W29-Y89 HydrophobicContact CH2-CG 4.49Å; W29-V101 HydrophobicContact CD2-CG1 3.91Å; W29-V101 HydrophobicContact CE3-CG1 4.18Å; W29-V101 HydrophobicContact CG-CG1 4.39Å; W29-V101 HydrophobicContact CG-CG2 4.27Å; W29-V101 HydrophobicContact CH2-CG1 4.19Å; W29-V101 HydrophobicContact CZ2-CG1 3.95Å; W29-V101 HydrophobicContact CZ3-CG1 4.3Å
30I97.3Very high90.2Very high59 Ų5962.8 Ų62.830%0.30336%0.364SS..EExtended strand (participates in β ladder)trans-92.3122.3176.8-59.7161.7000108.5Q23 V24 T32 A46 K47 K49Q23-I30 WeakPolarHBondContact O-CA 3.45Å; V24-I30 HydrophobicContact CG2-CG1 4.13Å; I30-T32 PolarHBondContact O-N 2.96Å; I30-A46 CarbonylContact O-C 3.58Å; I30-A46 WeakPolarHBondContact O-CA 3.42Å; I30-A46 VanDerWaalsContact O-CB 3.26Å; I30-A46 WeakPolarHBondContact O-CB 3.46Å; I30-K47 PolarHBondContact N-O 2.87Å; I30-K47 PolarHBondContact O-N 3.4Å; I30-K49 HydrophobicContact CD1-CD 4.19Å; I30-K49 HydrophobicContact CD1-CG 3.47Å; I30-K49 VanDerWaalsContact CD1-CG 3.47Å; I30-K49 HydrophobicContact CG1-CD 4.03Å; I30-K49 HydrophobicContact CG1-CG 3.61Å
31I97.7Very high89.8Confident0 Ų062.1 Ų62.10%036%0.357CS..EExtended strand (participates in β ladder)trans-66.2123.6171.4-61.2-53.6000109.5F19 G20 G22 Q23 I25 Y44 A46 V57F19-I31 HydrophobicContact CB-CG1 3.98Å; G20-I31 WeakPolarHBondContact O-CB 3.43Å; G22-I31 PolarHBondContact N-O 2.95Å; Q23-I31 PolarHBondContact O-N 2.78Å; I25-I31 HydrophobicContact CD1-CD1 3.51Å; I25-I31 HydrophobicContact CD1-CG1 3.87Å; I25-I31 HydrophobicContact CG1-CD1 4.42Å; I25-I31 HydrophobicContact CG1-CG1 4.38Å; I31-Y44 HydrophobicContact CD1-CG 4.32Å; I31-Y44 HydrophobicContact CG2-CD1 3.96Å; I31-Y44 HydrophobicContact CG2-CG 4.37Å; I31-A46 HydrophobicContact CD1-CB 3.92Å; I31-V57 HydrophobicContact CD1-CB 4.2Å; I31-V57 HydrophobicContact CD1-CG1 4.5Å; I31-V57 HydrophobicContact CD1-CG2 4.04Å
32T96.9Very high89.7Confident59 Ų5956 Ų5636%0.36233%0.326SS..EExtended strand (participates in β ladder)trans-109.3-20-178.455.10000113I30 K45 K47I30-T32 PolarHBondContact O-N 2.96Å; T32-K45 PolarHBondContact N-O 2.91Å; T32-K45 PolarHBondContact OG1-O 2.77Å; T32-K47 HydrophobicContact CG2-CB 4.02Å
33G95.5Very high89.7Confident18 Ų1855.4 Ų55.419%0.18631%0.312CS..EExtended strand (participates in β ladder)trans-175.4172177.700000112.7Y44 K45G33-Y44 CarbonylContact O-C 3.48Å; G33-Y44 WeakPolarHBondContact O-CA 3.37Å; G33-Y44 WeakPolarHBondContact O-CB 3.42Å; G33-K45 PolarHBondContact N-O 3.34Å; G33-K45 PolarHBondContact O-N 3.04Å
34R93.4Very high89.7Confident115 Ų11552.4 Ų52.443%0.43430%0.298SS..EExtended strand (participates in β ladder)trans-99.4134172.5-167.9-178.5-160.4-172.212.2108.9E37 T42 Y44R34-E37 IonicContact CZ-OE2 3.96Å; R34-E37 IonicContact NH1-OE2 3.68Å; R34-E37 PolarHBondContact NH1-OE2 3.2Å; R34-E37 IonicContact NH2-OE1 2.89Å; R34-E37 IonicContact NH2-OE2 2.74Å; R34-E37 PolarHBondContact NH2-OE2 3.28Å; R34-T42 HydrophobicContact CG-CG2 3.95Å; R34-T42 PolarHBondContact NH2-OG1 3.44Å; R34-Y44 HydrophobicContact CB-CD1 4.46Å; R34-Y44 HydrophobicContact CG-CD1 4.45Å; R34-Y44 HydrophobicContact CG-CE1 4.46Å
35I91.2Very high89.8Confident93 Ų9352.6 Ų52.648%0.47729%0.294SS..EExtended strand (participates in β ladder)trans-95.9-51.4177.1-64.7168.3000109.7V43 K45 L104I35-V43 HydrophobicContact CB-CB 4.39Å; I35-V43 HydrophobicContact CB-CG1 4.29Å; I35-V43 HydrophobicContact CD1-CG1 4.14Å; I35-V43 PolarHBondContact N-O 3.06Å; I35-K45 HydrophobicContact CD1-CB 3.91Å; I35-K45 HydrophobicContact CG1-CB 3.99Å; I35-L104 HydrophobicContact CD1-CD1 3.47Å; I35-L104 VanDerWaalsContact CD1-CD1 3.47Å
36G85.3Confident90.1Very high30 Ų3052.6 Ų52.631%0.30929%0.294SS..EExtended strand (participates in β ladder)trans-165.8165.4-176.900000113.4T42 V43G36-T42 WeakPolarHBondContact O-CG2 3.48Å; G36-V43 PolarHBondContact N-O 2.81Å; G36-V43 PolarHBondContact O-N 2.69Å
37E83.2Confident90.4Very high101 Ų10152.6 Ų52.647%0.47229%0.29SS..EExtended strand (participates in β ladder)trans-129.2129.4173.3-174.4171.4-165.200108.4R34R34-E37 IonicContact CZ-OE2 3.96Å; R34-E37 IonicContact NH1-OE2 3.68Å; R34-E37 PolarHBondContact NH1-OE2 3.2Å; R34-E37 IonicContact NH2-OE1 2.89Å; R34-E37 IonicContact NH2-OE2 2.74Å; R34-E37 PolarHBondContact NH2-OE2 3.28Å
38G70.7Confident90.5Very high51 Ų5146.4 Ų46.453%0.52626%0.257SS..EExtended strand (participates in β ladder)trans-133.7-176.2177.800000111.7F40 G41G38-F40 PolarHBondContact O-N 2.96Å; G38-F40 VanDerWaalsContact O-N 3.15Å; G38-G41 PolarHBondContact N-O 3.29Å; G38-G41 PolarHBondContact O-N 3.36Å
39S70.2Confident90.4Very high95 Ų9546.8 Ų46.866%0.66426%0.262SS*.THydrogen-bonded Turntrans-58-27.6177.745.50000113.7
40F73Confident90.1Very high20 Ų2053.1 Ų53.19%0.08829%0.291CS..THydrogen-bonded Turntrans-99.96.7-174.4-50.8-63.4000114G38 D171 L174G38-F40 PolarHBondContact O-N 2.96Å; G38-F40 VanDerWaalsContact O-N 3.15Å; F40-D171 WeakPolarHBondContact CD2-OD2 3.41Å; F40-L174 HydrophobicContact CE1-CD2 3.72Å; F40-L174 HydrophobicContact CE1-CG 3.98Å; F40-L174 HydrophobicContact CE2-CD1 4.47Å; F40-L174 HydrophobicContact CE2-CG 4.3Å; F40-L174 HydrophobicContact CZ-CD1 3.77Å; F40-L174 HydrophobicContact CZ-CD2 3.69Å; F40-L174 HydrophobicContact CZ-CG 3.49Å; F40-L174 VanDerWaalsContact CZ-CG 3.49Å
41G84.2Confident89.8Confident19 Ų1956.3 Ų56.320%0.19630%0.304CS..EExtended strand (participates in β ladder)trans131.2-162.5177.200000114G38 A59G38-G41 PolarHBondContact N-O 3.29Å; G38-G41 PolarHBondContact O-N 3.36Å; G41-A59 CarbonylContact C-O 3.54Å; G41-A59 VanDerWaalsContact CA-O 3.29Å; G41-A59 WeakPolarHBondContact CA-O 3.33Å
42T92.2Very high89.4Confident5 Ų557.8 Ų57.83%0.03132%0.318CS..EExtended strand (participates in β ladder)trans-114.8136.7178.9-60.40000110.3R34 G36 Y44 A59R34-T42 HydrophobicContact CG-CG2 3.95Å; R34-T42 PolarHBondContact NH2-OG1 3.44Å; G36-T42 WeakPolarHBondContact O-CG2 3.48Å; T42-Y44 HydrophobicContact CG2-CD1 4.35Å; T42-Y44 HydrophobicContact CG2-CD2 4.04Å; T42-Y44 HydrophobicContact CG2-CE1 3.79Å; T42-Y44 HydrophobicContact CG2-CE2 3.42Å; T42-Y44 VanDerWaalsContact CG2-CE2 3.42Å; T42-Y44 HydrophobicContact CG2-CG 4.46Å; T42-Y44 WeakPolarHBondContact CG2-OH 3.44Å; T42-A59 PolarHBondContact N-O 3.03Å; T42-A59 PolarHBondContact O-N 3.44Å
43V95Very high89.2Confident37 Ų3759.5 Ų59.522%0.22433%0.325CS..EExtended strand (participates in β ladder)trans-104129.1173.3-170.80000109.1I35 G36 A56 V57 K58I35-V43 HydrophobicContact CB-CB 4.39Å; I35-V43 HydrophobicContact CB-CG1 4.29Å; I35-V43 HydrophobicContact CD1-CG1 4.14Å; I35-V43 PolarHBondContact N-O 3.06Å; G36-V43 PolarHBondContact N-O 2.81Å; G36-V43 PolarHBondContact O-N 2.69Å; V43-A56 HydrophobicContact CG1-CB 4.23Å; V43-V57 CarbonylContact C-O 3.45Å; V43-V57 WeakPolarHBondContact CA-O 3.47Å; V43-K58 HydrophobicContact CG2-CB 4.39Å; V43-K58 HydrophobicContact CG2-CG 4.15Å
44Y96.9Very high89.3Confident3 Ų362.8 Ų62.81%0.01234%0.335CS..EExtended strand (participates in β ladder)trans-116.1150.2178.7-56.5-94000110.2L18 F19 I31 G33 R34 T42 A56 V57 A59L18-Y44 WeakPolarHBondContact CB-OH 3.37Å; L18-Y44 PolarHBondContact N-OH 3.49Å; F19-Y44 HydrophobicContact CB-CE1 4.27Å; F19-Y44 HydrophobicContact CB-CE2 4.42Å; F19-Y44 HydrophobicContact CD2-CD2 4.05Å; F19-Y44 AromaticContact CD2-CE2 3.83Å; F19-Y44 HydrophobicContact CD2-CE2 3.83Å; F19-Y44 PolarHBondContact N-OH 3.05Å; F19-Y44 WeakPolarHBondContact O-CE1 3.25Å; I31-Y44 HydrophobicContact CD1-CG 4.32Å; I31-Y44 HydrophobicContact CG2-CD1 3.96Å; I31-Y44 HydrophobicContact CG2-CG 4.37Å; G33-Y44 CarbonylContact O-C 3.48Å; G33-Y44 WeakPolarHBondContact O-CA 3.37Å; G33-Y44 WeakPolarHBondContact O-CB 3.42Å; R34-Y44 HydrophobicContact CB-CD1 4.46Å; R34-Y44 HydrophobicContact CG-CD1 4.45Å; R34-Y44 HydrophobicContact CG-CE1 4.46Å; T42-Y44 HydrophobicContact CG2-CD1 4.35Å; T42-Y44 HydrophobicContact CG2-CD2 4.04Å; T42-Y44 HydrophobicContact CG2-CE1 3.79Å; T42-Y44 HydrophobicContact CG2-CE2 3.42Å; T42-Y44 VanDerWaalsContact CG2-CE2 3.42Å; T42-Y44 HydrophobicContact CG2-CG 4.46Å; T42-Y44 WeakPolarHBondContact CG2-OH 3.44Å; Y44-A56 CarbonylContact O-C 3.55Å; Y44-A56 WeakPolarHBondContact O-CA 3.45Å; Y44-V57 PolarHBondContact N-O 2.87Å; Y44-V57 PolarHBondContact O-N 3.28Å; Y44-A59 HydrophobicContact CE2-CB 4.14Å
45K97.5Very high89.5Confident61 Ų6157.4 Ų57.427%0.26532%0.315SS..EExtended strand (participates in β ladder)trans-83.9135.8162.8-167.4171.8177.9174.50108.2T32 G33 I35 E54 L104T32-K45 PolarHBondContact N-O 2.91Å; T32-K45 PolarHBondContact OG1-O 2.77Å; G33-K45 PolarHBondContact N-O 3.34Å; G33-K45 PolarHBondContact O-N 3.04Å; I35-K45 HydrophobicContact CD1-CB 3.91Å; I35-K45 HydrophobicContact CG1-CB 3.99Å; K45-E54 WeakPolarHBondContact CE-OE1 3.03Å; K45-E54 WeakPolarHBondContact CE-OE2 3.24Å; K45-E54 IonicContact NZ-OE1 3.66Å; K45-E54 PolarHBondContact NZ-OE1 3.07Å; K45-E54 IonicContact NZ-OE2 3.84Å; K45-E54 PolarHBondContact NZ-OE2 3.27Å; K45-L104 HydrophobicContact CD-CD2 4.07Å; K45-L104 HydrophobicContact CG-CD1 4.44Å; K45-L104 HydrophobicContact CG-CD2 4.1Å
46A97.8Very high89.8Confident0 Ų053.1 Ų53.10%029%0.294CS..EExtended strand (participates in β ladder)trans-138.2167.8174.900000111.5W29 I30 I31 E54 V55 V57W29-A46 HydrophobicContact CB-CB 4.44Å; I30-A46 CarbonylContact O-C 3.58Å; I30-A46 WeakPolarHBondContact O-CA 3.42Å; I30-A46 VanDerWaalsContact O-CB 3.26Å; I30-A46 WeakPolarHBondContact O-CB 3.46Å; I31-A46 HydrophobicContact CD1-CB 3.92Å; A46-E54 CarbonylContact O-C 3.52Å; A46-E54 WeakPolarHBondContact O-CA 3.18Å; A46-V55 HydrophobicContact CB-CG2 3.89Å; A46-V55 PolarHBondContact N-O 3.22Å; A46-V55 PolarHBondContact O-N 3.11Å; A46-V57 HydrophobicContact CB-CG2 3.58Å
47K97.1Very high90.3Very high93 Ų9351.7 Ų51.740%0.40428%0.279SS..EExtended strand (participates in β ladder)trans-130.7137.4178.9-169173.5-175.9174.50110.6I30 T32 K49 G52 I53I30-K47 PolarHBondContact N-O 2.87Å; I30-K47 PolarHBondContact O-N 3.4Å; T32-K47 HydrophobicContact CG2-CB 4.02Å; K47-K49 PolarHBondContact O-N 2.97Å; K47-G52 WeakPolarHBondContact CE-O 3.15Å; K47-G52 WeakPolarHBondContact CG-O 3.37Å; K47-I53 CarbonylContact C-O 3.44Å; K47-I53 WeakPolarHBondContact CA-O 3.21Å
48S94.6Very high90.9Very high4 Ų447.5 Ų47.53%0.02826%0.259CS..EExtended strand (participates in β ladder)trans-63.9127170.5174.90000110.4Q50 F51 G52 I53S48-Q50 PolarHBondContact O-N 3.44Å; S48-Q50 PolarHBondContact OG-N 2.99Å; S48-F51 PolarHBondContact OG-N 2.97Å; S48-G52 VanDerWaalsContact O-CA 3.26Å; S48-G52 WeakPolarHBondContact O-CA 3.36Å; S48-G52 PolarHBondContact O-N 3.25Å; S48-I53 PolarHBondContact N-O 2.95Å
49K93.1Very high92.1Very high113 Ų11345 Ų4549%0.49123%0.234SC..THydrogen-bonded Turntrans-60.9-34.9173.2-80175.860.9-1660112.7V24 D27 R28 I30 K47V24-K49 HydrophobicContact CG1-CD 3.71Å; D27-K49 WeakPolarHBondContact O-CD 3.5Å; D27-K49 PolarHBondContact O-NZ 2.78Å; R28-K49 WeakPolarHBondContact O-CB 3.37Å; R28-K49 PolarHBondContact O-N 3.42Å; I30-K49 HydrophobicContact CD1-CD 4.19Å; I30-K49 HydrophobicContact CD1-CG 3.47Å; I30-K49 VanDerWaalsContact CD1-CG 3.47Å; I30-K49 HydrophobicContact CG1-CD 4.03Å; I30-K49 HydrophobicContact CG1-CG 3.61Å; K47-K49 PolarHBondContact O-N 2.97Å
50Q90Very high93.2Very high139 Ų13940.8 Ų40.865%0.6520%0.203SC*.THydrogen-bonded Turntrans-83-44.5-172.8-173.9177.2200112.3S48S48-Q50 PolarHBondContact O-N 3.44Å; S48-Q50 PolarHBondContact OG-N 2.99Å
51F90Very high94.1Very high127 Ų12746.3 Ų46.356%0.55722%0.224SC*.THydrogen-bonded Turntrans-113.2-11.7-169.9-56.8-66.3000113.7S48 I53S48-F51 PolarHBondContact OG-N 2.97Å; F51-I53 HydrophobicContact CB-CD1 3.85Å; F51-I53 HydrophobicContact CB-CG1 3.9Å; F51-I53 HydrophobicContact CG-CD1 4.5Å; F51-I53 PolarHBondContact O-N 3.41Å
52G89.1Confident94.1Very high30 Ų3047 Ų4731%0.30923%0.228SC..  trans69.210.9-175.200000114.9K47 S48K47-G52 WeakPolarHBondContact CE-O 3.15Å; K47-G52 WeakPolarHBondContact CG-O 3.37Å; S48-G52 VanDerWaalsContact O-CA 3.26Å; S48-G52 WeakPolarHBondContact O-CA 3.36Å; S48-G52 PolarHBondContact O-N 3.25Å
53I93.6Very high93.8Very high96 Ų9651.3 Ų51.349%0.49225%0.251SS..  trans-68.7135.2175.9-61.5168.1000109.3K47 S48 F51 V55K47-I53 CarbonylContact C-O 3.44Å; K47-I53 WeakPolarHBondContact CA-O 3.21Å; S48-I53 PolarHBondContact N-O 2.95Å; F51-I53 HydrophobicContact CB-CD1 3.85Å; F51-I53 HydrophobicContact CB-CG1 3.9Å; F51-I53 HydrophobicContact CG-CD1 4.5Å; F51-I53 PolarHBondContact O-N 3.41Å; I53-V55 HydrophobicContact CG2-CG1 4.49Å
54E96.9Very high93.2Very high87 Ų8751.5 Ų51.541%0.40725%0.253SS..EExtended strand (participates in β ladder)trans-83.3139.6175.6-56.3-163.612200110.7K45 A46 L104K45-E54 WeakPolarHBondContact CE-OE1 3.03Å; K45-E54 WeakPolarHBondContact CE-OE2 3.24Å; K45-E54 IonicContact NZ-OE1 3.66Å; K45-E54 PolarHBondContact NZ-OE1 3.07Å; K45-E54 IonicContact NZ-OE2 3.84Å; K45-E54 PolarHBondContact NZ-OE2 3.27Å; A46-E54 CarbonylContact O-C 3.52Å; A46-E54 WeakPolarHBondContact O-CA 3.18Å; E54-L104 HydrophobicContact CB-CD2 3.87Å
55V97.5Very high92.2Very high1 Ų161.3 Ų61.31%0.00630%0.296CS..EExtended strand (participates in β ladder)trans-140.9161.8-176.5-640000110.1W29 A46 I53 Y89 V101 M102W29-V55 HydrophobicContact CD2-CG2 4.36Å; W29-V55 HydrophobicContact CE3-CG1 4.35Å; W29-V55 HydrophobicContact CE3-CG2 3.59Å; W29-V55 HydrophobicContact CH2-CG1 4.2Å; W29-V55 HydrophobicContact CZ3-CB 4.35Å; W29-V55 HydrophobicContact CZ3-CG1 3.65Å; W29-V55 HydrophobicContact CZ3-CG2 3.77Å; A46-V55 HydrophobicContact CB-CG2 3.89Å; A46-V55 PolarHBondContact N-O 3.22Å; A46-V55 PolarHBondContact O-N 3.11Å; I53-V55 HydrophobicContact CG2-CG1 4.49Å; V55-Y89 HydrophobicContact CG1-CD2 3.93Å; V55-Y89 HydrophobicContact CG1-CE2 3.93Å; V55-V101 HydrophobicContact CB-CG1 3.86Å; V55-V101 HydrophobicContact CG1-CG1 4.31Å; V55-V101 HydrophobicContact CG2-CG1 3.57Å; V55-M102 WeakPolarHBondContact CB-O 3.42Å
56A97.6Very high91.1Very high4 Ų463.1 Ų63.13%0.03331%0.306CS..EExtended strand (participates in β ladder)trans-95.7140.4167.600000110.4V43 Y44 V101 M102 L104V43-A56 HydrophobicContact CG1-CB 4.23Å; Y44-A56 CarbonylContact O-C 3.55Å; Y44-A56 WeakPolarHBondContact O-CA 3.45Å; A56-V101 WeakPolarHBondContact O-CA 3.14Å; A56-M102 HydrophobicContact CB-CE 4.18Å; A56-M102 HydrophobicContact CB-CG 4.12Å; A56-M102 PolarHBondContact N-O 3.33Å; A56-M102 PolarHBondContact O-N 3.17Å; A56-L104 HydrophobicContact CB-CD1 4.21Å
57V97.1Very high90.3Very high0 Ų071 Ų710%034%0.335CS..EExtended strand (participates in β ladder)trans-117.8110.3171.4-178.50000108.5F19 I25 I31 V43 Y44 A46 Y99 L100 V101F19-V57 HydrophobicContact CE2-CG1 4.25Å; I25-V57 HydrophobicContact CD1-CG1 3.87Å; I31-V57 HydrophobicContact CD1-CB 4.2Å; I31-V57 HydrophobicContact CD1-CG1 4.5Å; I31-V57 HydrophobicContact CD1-CG2 4.04Å; V43-V57 CarbonylContact C-O 3.45Å; V43-V57 WeakPolarHBondContact CA-O 3.47Å; Y44-V57 PolarHBondContact N-O 2.87Å; Y44-V57 PolarHBondContact O-N 3.28Å; A46-V57 HydrophobicContact CB-CG2 3.58Å; V57-Y99 HydrophobicContact CG1-CD2 4.35Å; V57-L100 CarbonylContact C-O 3.5Å; V57-L100 VanDerWaalsContact CA-O 3.27Å; V57-L100 WeakPolarHBondContact CA-O 3.31Å; V57-V101 HydrophobicContact CG2-CG1 4.44Å; V57-V101 HydrophobicContact CG2-CG2 4.19Å
58K95.6Very high89.8Confident12 Ų1266.8 Ų66.85%0.05232%0.317CS..EExtended strand (participates in β ladder)trans-93.4130.5172.5-172.5-179.4-174.8-175.10108.2V43 L69 D72 Y99 L100 D171V43-K58 HydrophobicContact CG2-CB 4.39Å; V43-K58 HydrophobicContact CG2-CG 4.15Å; K58-L69 HydrophobicContact CB-CD1 3.96Å; K58-L69 HydrophobicContact CD-CD1 3.72Å; K58-L69 HydrophobicContact CG-CD1 3.6Å; K58-D72 IonicContact NZ-OD1 3.73Å; K58-D72 PolarHBondContact NZ-OD1 2.68Å; K58-D72 IonicContact NZ-OD2 3.26Å; K58-D72 PolarHBondContact NZ-OD2 2.74Å; K58-Y99 CarbonylContact O-C 3.6Å; K58-Y99 VanDerWaalsContact O-CA 3.23Å; K58-Y99 WeakPolarHBondContact O-CA 3.39Å; K58-L100 HydrophobicContact CB-CD1 4.02Å; K58-L100 HydrophobicContact CB-CG 4.04Å; K58-L100 PolarHBondContact N-O 3.1Å; K58-L100 PolarHBondContact O-N 2.75Å; K58-D171 IonicContact NZ-OD1 3.65Å; K58-D171 PolarHBondContact NZ-OD1 2.96Å
59A94.9Very high89.7Confident0 Ų066.8 Ų66.80%032%0.317CS..EExtended strand (participates in β ladder)trans-138.7140.8-17500000112.7L18 F19 G41 T42 Y44 V97 H98L18-A59 HydrophobicContact CD1-CB 4.08Å; L18-A59 WeakPolarHBondContact CD1-O 3.42Å; F19-A59 HydrophobicContact CD2-CB 4.03Å; F19-A59 HydrophobicContact CE2-CB 3.46Å; F19-A59 VanDerWaalsContact CE2-CB 3.46Å; F19-A59 HydrophobicContact CZ-CB 4.29Å; G41-A59 CarbonylContact C-O 3.54Å; G41-A59 VanDerWaalsContact CA-O 3.29Å; G41-A59 WeakPolarHBondContact CA-O 3.33Å; T42-A59 PolarHBondContact N-O 3.03Å; T42-A59 PolarHBondContact O-N 3.44Å; Y44-A59 HydrophobicContact CE2-CB 4.14Å; A59-V97 HydrophobicContact CB-CG1 3.91Å; A59-H98 CarbonylContact C-O 3.54Å; A59-H98 VanDerWaalsContact CA-O 3.23Å; A59-H98 WeakPolarHBondContact CA-O 3.41Å
60E93.3Very high89.7Confident6 Ų665.6 Ų65.63%0.02831%0.313CS..EExtended strand (participates in β ladder)trans-135.3158.3175.273.5-178.8-164.500110.7S68 L69 V97 H98E60-S68 PolarHBondContact OE2-N 2.85Å; E60-S68 PolarHBondContact OE2-OG 3.26Å; E60-L69 HydrophobicContact CG-CB 3.67Å; E60-L69 HydrophobicContact CG-CD2 4.13Å; E60-L69 HydrophobicContact CG-CG 4.46Å; E60-L69 VanDerWaalsContact OE1-CB 3.31Å; E60-L69 WeakPolarHBondContact OE1-CB 3.3Å; E60-L69 PolarHBondContact OE1-N 3.23Å; E60-L69 WeakPolarHBondContact OE2-CB 3.37Å; E60-L69 PolarHBondContact OE2-N 3.41Å; E60-L69 VanDerWaalsContact OE2-N 3.09Å; E60-V97 CarbonylContact O-C 3.53Å; E60-V97 WeakPolarHBondContact O-CA 3.28Å; E60-V97 WeakPolarHBondContact O-CG1 3.39Å; E60-H98 HydrophobicContact CG-CB 4.33Å; E60-H98 PolarHBondContact N-O 2.82Å; E60-H98 PolarHBondContact O-N 3.11Å
61R91.2Very high89.9Confident135 Ų13560.9 Ų60.951%0.50929%0.294SS..EExtended strand (participates in β ladder)trans-72.3140.8174.7-61.6173.257.2131.9-2.5110L18 D63 S64 Q96L18-R61 HydrophobicContact CD2-CG 3.61Å; R61-D63 WeakPolarHBondContact CB-OD1 3.06Å; R61-D63 IonicContact CZ-OD1 2.7Å; R61-D63 IonicContact CZ-OD2 2.74Å; R61-D63 IonicContact NE-OD1 3.04Å; R61-D63 PolarHBondContact NE-OD1 2.92Å; R61-D63 IonicContact NE-OD2 3.39Å; R61-D63 IonicContact NH2-OD1 3.65Å; R61-D63 IonicContact NH2-OD2 2.82Å; R61-D63 PolarHBondContact NH2-OD2 3.05Å; R61-D63 PolarHBondContact O-N 2.98Å; R61-S64 WeakPolarHBondContact O-CB 3.39Å; R61-S64 PolarHBondContact O-N 2.88Å; R61-Q96 CarbonylContact C-O 3.56Å; R61-Q96 WeakPolarHBondContact CA-O 3.23Å
62A86Confident90.2Very high34 Ų3455 Ų5528%0.28127%0.268SS..THydrogen-bonded Turntrans-63.7-23.6178.400000113.4S64 Q96 H98A62-S64 VanDerWaalsContact C-N 3.31Å; A62-Q96 WeakPolarHBondContact CB-O 3.47Å; A62-Q96 PolarHBondContact N-O 3.28Å; A62-H98 WeakPolarHBondContact CA-NE2 3.45Å; A62-H98 WeakPolarHBondContact CB-NE2 3.4Å
63D84.1Confident90.5Very high96 Ų9654.5 Ų54.551%0.51326%0.259SS..THydrogen-bonded Turntrans-86.43.9174.664.4-4.4000113.6R61 K65R61-D63 WeakPolarHBondContact CB-OD1 3.06Å; R61-D63 IonicContact CZ-OD1 2.7Å; R61-D63 IonicContact CZ-OD2 2.74Å; R61-D63 IonicContact NE-OD1 3.04Å; R61-D63 PolarHBondContact NE-OD1 2.92Å; R61-D63 IonicContact NE-OD2 3.39Å; R61-D63 IonicContact NH2-OD1 3.65Å; R61-D63 IonicContact NH2-OD2 2.82Å; R61-D63 PolarHBondContact NH2-OD2 3.05Å; R61-D63 PolarHBondContact O-N 2.98Å; D63-K65 PolarHBondContact O-N 3.15Å
64S82.5Confident90.7Very high40 Ų4052.9 Ų52.928%0.2825%0.253SS..  trans-60.1129.3175.8-179.10000110.9R61 A62 Q66R61-S64 WeakPolarHBondContact O-CB 3.39Å; R61-S64 PolarHBondContact O-N 2.88Å; A62-S64 VanDerWaalsContact C-N 3.31Å; S64-Q66 PolarHBondContact O-N 2.98Å; S64-Q66 PolarHBondContact OG-N 3.43Å; S64-Q66 PolarHBondContact OG-O 2.86Å
65K76.6Confident90.7Very high210 Ų21048.7 Ų48.791%0.91323%0.234SC*.SBendtrans-65.8-30.3174.2-69.8-175.2178.5-179.70112.1D63D63-K65 PolarHBondContact O-N 3.15Å
66Q74.3Confident90.7Very high99 Ų9948.8 Ų48.846%0.46324%0.235SC..SBendtrans-93.5102.9174.9-65.5-173.50.400107.1S64 S68S64-Q66 PolarHBondContact O-N 2.98Å; S64-Q66 PolarHBondContact OG-N 3.43Å; S64-Q66 PolarHBondContact OG-O 2.86Å; Q66-S68 PolarHBondContact O-N 2.89Å; Q66-S68 PolarHBondContact O-OG 3.37Å
67R80.4Confident90.7Very high166 Ų16651.4 Ų51.463%0.62625%0.252SS*.  trans-78.854.4175.1-60.7-173.3-178.8-174.4-2110.8E70R67-E70 HydrophobicContact CB-CB 4.45Å; R67-E70 HydrophobicContact CB-CG 4.34Å; R67-E70 VanDerWaalsContact CD-OE2 3.3Å; R67-E70 WeakPolarHBondContact CD-OE2 3.41Å; R67-E70 IonicContact NH1-OE1 3.9Å; R67-E70 IonicContact NH1-OE2 3.79Å
68S87.3Confident90.8Very high4 Ų456.3 Ų56.33%0.02827%0.274CS..Hα-helixtrans-63.9-43.1-176.220.80000111.3E60 Q66 E70 V71 D72E60-S68 PolarHBondContact OE2-N 2.85Å; E60-S68 PolarHBondContact OE2-OG 3.26Å; Q66-S68 PolarHBondContact O-N 2.89Å; Q66-S68 PolarHBondContact O-OG 3.37Å; S68-E70 VanDerWaalsContact C-N 3.31Å; S68-E70 PolarHBondContact O-N 3.49Å; S68-V71 WeakPolarHBondContact O-CB 3.26Å; S68-V71 PolarHBondContact O-N 3.08Å; S68-D72 PolarHBondContact O-N 3.14Å; S68-D72 VanDerWaalsContact O-N 3.07Å
69L92.6Very high90.9Very high4 Ų455.7 Ų55.72%0.02127%0.271CS..Hα-helixtrans-68.5-30.9-174.3-15976000112.8K58 E60 V71 D72 V73 H98 Y99 L100K58-L69 HydrophobicContact CB-CD1 3.96Å; K58-L69 HydrophobicContact CD-CD1 3.72Å; K58-L69 HydrophobicContact CG-CD1 3.6Å; E60-L69 HydrophobicContact CG-CB 3.67Å; E60-L69 HydrophobicContact CG-CD2 4.13Å; E60-L69 HydrophobicContact CG-CG 4.46Å; E60-L69 VanDerWaalsContact OE1-CB 3.31Å; E60-L69 WeakPolarHBondContact OE1-CB 3.3Å; E60-L69 PolarHBondContact OE1-N 3.23Å; E60-L69 WeakPolarHBondContact OE2-CB 3.37Å; E60-L69 PolarHBondContact OE2-N 3.41Å; E60-L69 VanDerWaalsContact OE2-N 3.09Å; L69-V71 VanDerWaalsContact C-N 3.25Å; L69-V71 PolarHBondContact O-N 2.92Å; L69-D72 PolarHBondContact O-N 3.3Å; L69-V73 WeakPolarHBondContact O-CG2 3.44Å; L69-V73 PolarHBondContact O-N 3.09Å; L69-H98 HydrophobicContact CD2-CB 3.7Å; L69-H98 WeakPolarHBondContact CD2-O 3.38Å; L69-Y99 VanDerWaalsContact CD2-CA 3.47Å; L69-L100 HydrophobicContact CD1-CD2 3.48Å; L69-L100 VanDerWaalsContact CD1-CD2 3.48Å; L69-L100 HydrophobicContact CD1-CG 3.84Å; L69-L100 HydrophobicContact CG-CD2 3.98Å; L69-L100 HydrophobicContact CG-CG 4.41Å
70E93.2Very high90.9Very high87 Ų8759.9 Ų59.941%0.40729%0.294SS..Hα-helixtrans-60.5-38.3171.9-69.5-177.7-178.100111.3R67 S68 V74R67-E70 HydrophobicContact CB-CB 4.45Å; R67-E70 HydrophobicContact CB-CG 4.34Å; R67-E70 VanDerWaalsContact CD-OE2 3.3Å; R67-E70 WeakPolarHBondContact CD-OE2 3.41Å; R67-E70 IonicContact NH1-OE1 3.9Å; R67-E70 IonicContact NH1-OE2 3.79Å; S68-E70 VanDerWaalsContact C-N 3.31Å; S68-E70 PolarHBondContact O-N 3.49Å; E70-V74 WeakPolarHBondContact O-CG2 3.48Å; E70-V74 PolarHBondContact O-N 3.16Å; E70-V74 VanDerWaalsContact O-N 3.16Å
71V94.2Very high91Very high40 Ų4063.2 Ų63.224%0.24233%0.329CS..Hα-helixtrans-69.5-44.9177.2-177.40000110.4S68 L69 V73 V74 L75 F172 A175S68-V71 WeakPolarHBondContact O-CB 3.26Å; S68-V71 PolarHBondContact O-N 3.08Å; L69-V71 VanDerWaalsContact C-N 3.25Å; L69-V71 PolarHBondContact O-N 2.92Å; V71-V73 VanDerWaalsContact C-N 3.33Å; V71-V73 PolarHBondContact O-N 3.36Å; V71-V74 PolarHBondContact O-N 3.48Å; V71-L75 HydrophobicContact CG1-CD1 3.7Å; V71-L75 VanDerWaalsContact O-CD1 3.28Å; V71-L75 WeakPolarHBondContact O-CD1 3.25Å; V71-L75 PolarHBondContact O-N 3.24Å; V71-F172 WeakPolarHBondContact CG1-O 3.47Å; V71-A175 HydrophobicContact CG1-CB 3.87Å
72D95.4Very high91.2Very high4 Ų458.5 Ų58.52%0.02132%0.317CS..Hα-helixtrans-53.9-48.7173.7-77.7-75.4000111.6K58 S68 L69 V74 L75 L76 L100 F172K58-D72 IonicContact NZ-OD1 3.73Å; K58-D72 PolarHBondContact NZ-OD1 2.68Å; K58-D72 IonicContact NZ-OD2 3.26Å; K58-D72 PolarHBondContact NZ-OD2 2.74Å; S68-D72 PolarHBondContact O-N 3.14Å; S68-D72 VanDerWaalsContact O-N 3.07Å; L69-D72 PolarHBondContact O-N 3.3Å; D72-V74 VanDerWaalsContact C-N 3.32Å; D72-V74 PolarHBondContact O-N 3.26Å; D72-L75 PolarHBondContact O-N 3.39Å; D72-L76 HydrophobicContact CB-CD1 4.47Å; D72-L76 VanDerWaalsContact O-CB 3.29Å; D72-L76 WeakPolarHBondContact O-CB 3.28Å; D72-L76 VanDerWaalsContact O-CG 3.31Å; D72-L76 WeakPolarHBondContact O-CG 3.37Å; D72-L76 PolarHBondContact O-N 2.82Å; D72-L100 HydrophobicContact CB-CD2 3.49Å; D72-L100 VanDerWaalsContact CB-CD2 3.49Å; D72-F172 PolarHBondContact OD1-N 2.86Å
73V96.7Very high91.8Very high20 Ų2062.9 Ų62.912%0.12133%0.326CS..Hα-helixtrans-58.7-44.6179169.20000111.2L69 V71 S77 L88 Y91 L100L69-V73 WeakPolarHBondContact O-CG2 3.44Å; L69-V73 PolarHBondContact O-N 3.09Å; V71-V73 VanDerWaalsContact C-N 3.33Å; V71-V73 PolarHBondContact O-N 3.36Å; V73-S77 WeakPolarHBondContact O-CB 3.46Å; V73-S77 PolarHBondContact O-N 3.01Å; V73-S77 PolarHBondContact O-OG 3.19Å; V73-L88 HydrophobicContact CG1-CD2 4.41Å; V73-Y91 HydrophobicContact CB-CG 4.49Å; V73-Y91 HydrophobicContact CG1-CD1 3.71Å; V73-Y91 HydrophobicContact CG1-CD2 3.77Å; V73-Y91 HydrophobicContact CG1-CE1 3.84Å; V73-Y91 HydrophobicContact CG1-CE2 3.9Å; V73-Y91 HydrophobicContact CG1-CG 3.67Å; V73-Y91 HydrophobicContact CG2-CD1 4.47Å; V73-Y91 HydrophobicContact CG2-CD2 4.27Å; V73-Y91 HydrophobicContact CG2-CG 3.9Å; V73-L100 HydrophobicContact CG2-CB 4.09Å; V73-L100 HydrophobicContact CG2-CD2 4.13Å
74V96.7Very high92.5Very high61 Ų6158.3 Ų58.337%0.3730%0.302SS..Hα-helixtrans-64.3-44.8179.9170.30000111.8E70 V71 D72 K78E70-V74 WeakPolarHBondContact O-CG2 3.48Å; E70-V74 PolarHBondContact O-N 3.16Å; E70-V74 VanDerWaalsContact O-N 3.16Å; V71-V74 PolarHBondContact O-N 3.48Å; D72-V74 VanDerWaalsContact C-N 3.32Å; D72-V74 PolarHBondContact O-N 3.26Å; V74-K78 WeakPolarHBondContact O-CG 3.21Å; V74-K78 PolarHBondContact O-N 3.03Å
75L97.7Very high93.2Very high0 Ų056.7 Ų56.70%029%0.29CS..Hα-helixtrans-73.5-48.3-177.5-87.677.9000111.5V71 D72 S77 K78 L79 V140 I143 Y145 F172 A175V71-L75 HydrophobicContact CG1-CD1 3.7Å; V71-L75 VanDerWaalsContact O-CD1 3.28Å; V71-L75 WeakPolarHBondContact O-CD1 3.25Å; V71-L75 PolarHBondContact O-N 3.24Å; D72-L75 PolarHBondContact O-N 3.39Å; L75-S77 PolarHBondContact O-N 3.43Å; L75-K78 CarbonylContact O-C 3.38Å; L75-K78 WeakPolarHBondContact O-CA 3.44Å; L75-K78 WeakPolarHBondContact O-CB 3.42Å; L75-K78 PolarHBondContact O-N 3.39Å; L75-L79 HydrophobicContact CB-CD1 4.25Å; L75-L79 WeakPolarHBondContact O-CB 3.5Å; L75-L79 WeakPolarHBondContact O-CG 3.48Å; L75-L79 PolarHBondContact O-N 3.21Å; L75-V140 HydrophobicContact CD2-CG1 4.42Å; L75-I143 HydrophobicContact CG-CD1 4.1Å; L75-Y145 HydrophobicContact CD1-CD1 3.62Å; L75-Y145 HydrophobicContact CD1-CD2 4.44Å; L75-Y145 HydrophobicContact CD1-CE1 3.73Å; L75-Y145 HydrophobicContact CD1-CG 4.01Å; L75-Y145 HydrophobicContact CD2-CD1 4.29Å; L75-Y145 HydrophobicContact CD2-CG 4.12Å; L75-Y145 HydrophobicContact CG-CD1 4.23Å; L75-Y145 HydrophobicContact CG-CD2 4.44Å; L75-Y145 HydrophobicContact CG-CG 4.12Å; L75-F172 HydrophobicContact CB-CB 4.2Å; L75-F172 HydrophobicContact CB-CD1 4.26Å; L75-F172 HydrophobicContact CB-CG 4.06Å; L75-F172 HydrophobicContact CD2-CB 4.01Å; L75-F172 HydrophobicContact CD2-CD1 3.49Å; L75-F172 VanDerWaalsContact CD2-CD1 3.49Å; L75-F172 HydrophobicContact CD2-CE1 4.26Å; L75-F172 HydrophobicContact CD2-CG 3.95Å; L75-A175 HydrophobicContact CD1-CB 4.17Å; L75-A175 HydrophobicContact CD2-CB 3.43Å; L75-A175 VanDerWaalsContact CD2-CB 3.43Å; L75-A175 HydrophobicContact CG-CB 4.46Å
76L97.9Very high94.2Very high3 Ų346.8 Ų46.82%0.01625%0.247CC..Hα-helixtrans-62.1-33178.7-67.1172.2000111.9D72 K78 N80 C86 L88 L100 M102 F172D72-L76 HydrophobicContact CB-CD1 4.47Å; D72-L76 VanDerWaalsContact O-CB 3.29Å; D72-L76 WeakPolarHBondContact O-CB 3.28Å; D72-L76 VanDerWaalsContact O-CG 3.31Å; D72-L76 WeakPolarHBondContact O-CG 3.37Å; D72-L76 PolarHBondContact O-N 2.82Å; L76-K78 VanDerWaalsContact C-N 3.3Å; L76-K78 PolarHBondContact O-N 2.74Å; L76-N80 PolarHBondContact O-N 2.83Å; L76-C86 HydrophobicContact CD2-CB 4.39Å; L76-L88 HydrophobicContact CB-CB 3.91Å; L76-L88 HydrophobicContact CB-CD2 4.23Å; L76-L88 HydrophobicContact CB-CG 4.48Å; L76-L88 HydrophobicContact CD1-CD1 4.38Å; L76-L100 HydrophobicContact CD1-CD1 4.29Å; L76-L100 HydrophobicContact CD1-CD2 4.2Å; L76-M102 HydrophobicContact CD1-SD 4.12Å; L76-F172 HydrophobicContact CD2-CD2 3.95Å; L76-F172 HydrophobicContact CD2-CE2 3.54Å; L76-F172 HydrophobicContact CG-CD2 4.09Å; L76-F172 HydrophobicContact CG-CE2 4.19Å
77S97.8Very high95.3Very high58 Ų5844.2 Ų44.241%0.40624%0.238SC..Hα-helixtrans-63.9-35.7172.7-63.10000112.6V73 L75 L88V73-S77 WeakPolarHBondContact O-CB 3.46Å; V73-S77 PolarHBondContact O-N 3.01Å; V73-S77 PolarHBondContact O-OG 3.19Å; L75-S77 PolarHBondContact O-N 3.43Å; S77-L88 VanDerWaalsContact OG-CD2 3.31Å; S77-L88 WeakPolarHBondContact OG-CD2 3.47Å
78K97.8Very high96.1Very high103 Ų10337.1 Ų37.145%0.44821%0.213SC..Hα-helixtrans-82.4-29.1-179.6-74.1-179.1170.9-150.10113.5V74 L75 L76 N80 I143 Y145V74-K78 WeakPolarHBondContact O-CG 3.21Å; V74-K78 PolarHBondContact O-N 3.03Å; L75-K78 CarbonylContact O-C 3.38Å; L75-K78 WeakPolarHBondContact O-CA 3.44Å; L75-K78 WeakPolarHBondContact O-CB 3.42Å; L75-K78 PolarHBondContact O-N 3.39Å; L76-K78 VanDerWaalsContact C-N 3.3Å; L76-K78 PolarHBondContact O-N 2.74Å; K78-N80 VanDerWaalsContact C-N 3.33Å; K78-I143 HydrophobicContact CB-CD1 3.85Å; K78-I143 HydrophobicContact CB-CG2 4.37Å; K78-I143 HydrophobicContact CD-CD1 4.18Å; K78-Y145 HydrophobicContact CD-CE2 4.35Å
79L98Very high96.5Very high0 Ų041.6 Ų41.60%023%0.23CC..SBendtrans-93.66.1179.3-62.5164.8000111.6L75 G81 S82 T85 E139 V140 I143 F172L75-L79 HydrophobicContact CB-CD1 4.25Å; L75-L79 WeakPolarHBondContact O-CB 3.5Å; L75-L79 WeakPolarHBondContact O-CG 3.48Å; L75-L79 PolarHBondContact O-N 3.21Å; L79-G81 PolarHBondContact O-N 3.11Å; L79-G81 VanDerWaalsContact O-N 3.15Å; L79-S82 WeakPolarHBondContact O-CB 3.43Å; L79-S82 PolarHBondContact O-N 3.24Å; L79-S82 PolarHBondContact O-OG 3.49Å; L79-T85 HydrophobicContact CB-CG2 4.01Å; L79-T85 HydrophobicContact CD1-CG2 3.93Å; L79-T85 HydrophobicContact CG-CG2 4.38Å; L79-T85 PolarHBondContact O-OG1 2.98Å; L79-T85 VanDerWaalsContact O-OG1 3.1Å; L79-E139 HydrophobicContact CD2-CB 4.38Å; L79-V140 HydrophobicContact CD1-CG2 4.11Å; L79-I143 HydrophobicContact CD1-CD1 3.93Å; L79-I143 HydrophobicContact CD2-CD1 3.83Å; L79-I143 HydrophobicContact CD2-CG1 4.03Å; L79-I143 HydrophobicContact CD2-CG2 3.96Å; L79-I143 HydrophobicContact CG-CD1 3.69Å; L79-I143 HydrophobicContact CG-CG1 4.45Å; L79-F172 HydrophobicContact CD1-CE1 4.07Å; L79-F172 HydrophobicContact CD1-CZ 4.05Å
80N94.9Very high96.6Very high88 Ų8842.5 Ų42.547%0.47124%0.237SC..THydrogen-bonded Turntrans-62.7121.9179.9-161.114.7000110.3L76 K78 T87L76-N80 PolarHBondContact O-N 2.83Å; K78-N80 VanDerWaalsContact C-N 3.33Å; N80-T87 WeakPolarHBondContact OD1-CG2 3.49Å
81G95Very high96.8Very high75 Ų7544.8 Ų44.877%0.77324%0.242SC*.THydrogen-bonded Turntrans90.9-3.3-17200000115.1L79L79-G81 PolarHBondContact O-N 3.11Å; L79-G81 VanDerWaalsContact O-N 3.15Å
82S97.3Very high96.9Very high36 Ų3644 Ų4425%0.25224%0.242SC..  trans-69.2152.7167.6-66.90000111.1L79L79-S82 WeakPolarHBondContact O-CB 3.43Å; L79-S82 PolarHBondContact O-N 3.24Å; L79-S82 PolarHBondContact O-OG 3.49Å
83R98.1Very high96.8Very high126 Ų12647.6 Ų47.648%0.47526%0.264SS..THydrogen-bonded Turntrans-74.5-36.3-171178.1178173.2-141.91.9112.4E135 E139 T166R83-E135 IonicContact CZ-OE2 3.21Å; R83-E135 IonicContact NH1-OE1 2.64Å; R83-E135 PolarHBondContact NH1-OE1 3.47Å; R83-E135 IonicContact NH1-OE2 3.58Å; R83-E135 PolarHBondContact NH1-OE2 2.95Å; R83-E139 PolarHBondContact N-OE1 2.7Å; R83-T166 HydrophobicContact CG-CG2 4.46Å; R83-T166 WeakPolarHBondContact O-CG2 3.42Å
84H98.6Very high96.6Very high1 Ų149.3 Ų49.31%0.00527%0.272CS..THydrogen-bonded Turntrans-106.122.4-169.9-60.9-75000113.4Q132 E135 A136 E139 I167 Y168 L169H84-Q132 PolarHBondContact CE1-OE1 3.42Å; H84-Q132 VanDerWaalsContact CE1-OE1 3.3Å; H84-E135 IonicContact CE1-OE2 2.9Å; H84-E135 IonicContact NE2-OE2 3.58Å; H84-E135 PolarHBondContact NE2-OE2 2.77Å; H84-A136 HydrophobicContact CB-CB 3.41Å; H84-A136 VanDerWaalsContact CB-CB 3.41Å; H84-E139 WeakPolarHBondContact CB-OE2 3.2Å; H84-E139 IonicContact CD2-OE1 2.76Å; H84-E139 IonicContact CD2-OE2 3.81Å; H84-E139 IonicContact CG-OE2 3.38Å; H84-E139 PolarHBondContact N-OE2 3.49Å; H84-E139 VanDerWaalsContact N-OE2 3.1Å; H84-I167 WeakPolarHBondContact CB-O 3.44Å; H84-I167 PolarHBondContact ND1-O 3.27Å; H84-Y168 CarbonylContact O-C 3.59Å; H84-Y168 WeakPolarHBondContact O-CA 3.37Å; H84-L169 PolarHBondContact O-N 3.07Å
85T97.9Very high96.3Very high5 Ų549.5 Ų49.53%0.03129%0.286CS..SBendtrans-137149.4-178.467.20000111.6L79 F172L79-T85 HydrophobicContact CB-CG2 4.01Å; L79-T85 HydrophobicContact CD1-CG2 3.93Å; L79-T85 HydrophobicContact CG-CG2 4.38Å; L79-T85 PolarHBondContact O-OG1 2.98Å; L79-T85 VanDerWaalsContact O-OG1 3.1Å; T85-F172 HydrophobicContact CG2-CZ 4.08Å
86C97.3Very high96Very high2 Ų256 Ų561%0.01432%0.317CS..PPolyproline II helixtrans-66143.8177.2-59.30000112.1L76 L88 M102 D103 L170L76-C86 HydrophobicContact CD2-CB 4.39Å; C86-L88 PolarHBondContact O-N 3.34Å; C86-M102 HydrophobicContact CB-CB 4.13Å; C86-M102 HydrophobicContact CB-CG 4.39Å; C86-M102 HydrophobicContact CB-SD 4.23Å; C86-D103 HydrophobicContact CB-CB 4.14Å; C86-L170 VanDerWaalsContact SG-CD2 3.54Å
87T97.2Very high95.7Very high45 Ų4556.7 Ų56.728%0.27632%0.321SS..PPolyproline II helixtrans-68.5128.4167.3-590000109.7N80 Y89 M102 D103N80-T87 WeakPolarHBondContact OD1-CG2 3.49Å; T87-Y89 HydrophobicContact CG2-CD1 4.02Å; T87-Y89 HydrophobicContact CG2-CE1 3.66Å; T87-M102 WeakPolarHBondContact O-CA 3.48Å; T87-M102 WeakPolarHBondContact O-CB 3.39Å; T87-D103 WeakPolarHBondContact CA-OD2 3.43Å; T87-D103 WeakPolarHBondContact CB-OD2 3.49Å; T87-D103 PolarHBondContact N-OD2 2.67Å; T87-D103 PolarHBondContact O-N 3.04Å; T87-D103 PolarHBondContact OG1-OD2 2.65Å; T87-D103 VanDerWaalsContact OG1-OD2 3.08Å
88L97.3Very high95.6Very high18 Ų1856 Ų569%0.09431%0.312CS..EExtended strand (participates in β ladder)trans-86.2117.5170-178.166.5000110V73 L76 S77 C86 Y91 L100V73-L88 HydrophobicContact CG1-CD2 4.41Å; L76-L88 HydrophobicContact CB-CB 3.91Å; L76-L88 HydrophobicContact CB-CD2 4.23Å; L76-L88 HydrophobicContact CB-CG 4.48Å; L76-L88 HydrophobicContact CD1-CD1 4.38Å; S77-L88 VanDerWaalsContact OG-CD2 3.31Å; S77-L88 WeakPolarHBondContact OG-CD2 3.47Å; C86-L88 PolarHBondContact O-N 3.34Å; L88-Y91 HydrophobicContact CD2-CD1 3.93Å; L88-Y91 HydrophobicContact CD2-CE1 4.39Å; L88-L100 HydrophobicContact CD1-CB 3.88Å; L88-L100 HydrophobicContact CD1-CD1 4.31Å
89Y95.4Very high95.5Very high97 Ų9751.6 Ų51.638%0.3829%0.292SS..EExtended strand (participates in β ladder)trans-91.4-37.2179.3-65.6-60.1000113.6W29 V55 T87 V101 D103W29-Y89 HydrophobicContact CH2-CG 4.49Å; V55-Y89 HydrophobicContact CG1-CD2 3.93Å; V55-Y89 HydrophobicContact CG1-CE2 3.93Å; T87-Y89 HydrophobicContact CG2-CD1 4.02Å; T87-Y89 HydrophobicContact CG2-CE1 3.66Å; Y89-V101 HydrophobicContact CD2-CG1 4.43Å; Y89-V101 PolarHBondContact N-O 2.83Å; Y89-D103 VanDerWaalsContact CE2-OD1 3.23Å; Y89-D103 WeakPolarHBondContact CE2-OD1 3.28Å; Y89-D103 PolarHBondContact OH-OD1 3.37Å
90S95.3Very high95.4Very high24 Ų2451.6 Ų51.617%0.16829%0.292CS..EExtended strand (participates in β ladder)trans-165.4158.3-174.1-167.40000110.2L100 V101S90-L100 CarbonylContact O-C 3.59Å; S90-L100 WeakPolarHBondContact O-CA 3.39Å; S90-V101 PolarHBondContact N-O 3.13Å; S90-V101 PolarHBondContact O-N 3.42Å
91Y96.6Very high95.5Very high135 Ų13547.4 Ų47.453%0.52927%0.269SS..EExtended strand (participates in β ladder)trans-152160.5167.860.8-87.1000108.9V73 L88 Y99V73-Y91 HydrophobicContact CB-CG 4.49Å; V73-Y91 HydrophobicContact CG1-CD1 3.71Å; V73-Y91 HydrophobicContact CG1-CD2 3.77Å; V73-Y91 HydrophobicContact CG1-CE1 3.84Å; V73-Y91 HydrophobicContact CG1-CE2 3.9Å; V73-Y91 HydrophobicContact CG1-CG 3.67Å; V73-Y91 HydrophobicContact CG2-CD1 4.47Å; V73-Y91 HydrophobicContact CG2-CD2 4.27Å; V73-Y91 HydrophobicContact CG2-CG 3.9Å; L88-Y91 HydrophobicContact CD2-CD1 3.93Å; L88-Y91 HydrophobicContact CD2-CE1 4.39Å; Y91-Y99 CarbonylContact C-O 3.58Å; Y91-Y99 WeakPolarHBondContact CA-O 3.39Å; Y91-Y99 WeakPolarHBondContact CB-O 3.34Å
92G95.8Very high95.7Very high22 Ų2245 Ų4523%0.22724%0.239CC..EExtended strand (participates in β ladder)trans173.9-164.1178.400000113.2H98 Y99G92-H98 WeakPolarHBondContact O-CA 3.29Å; G92-Y99 PolarHBondContact N-O 2.82Å; G92-Y99 VanDerWaalsContact O-CD1 3.24Å; G92-Y99 WeakPolarHBondContact O-CD1 3.24Å; G92-Y99 PolarHBondContact O-N 3.4Å
93T94.5Very high95.6Very high80 Ų8044.9 Ų44.949%0.49124%0.235SC..EExtended strand (participates in β ladder)trans-131.4134.3-179.2-54.20000109.6V97 H98T93-V97 CarbonylContact C-O 3.6Å; T93-V97 VanDerWaalsContact CA-O 3.29Å; T93-V97 WeakPolarHBondContact CA-O 3.45Å; T93-H98 PolarHBondContact OG1-CE1 3.15Å; T93-H98 PolarHBondContact OG1-ND1 3.45Å
94I91.5Very high95.6Very high56 Ų5640 Ų4029%0.28722%0.218SC..EExtended strand (participates in β ladder)trans-125.9114.5170.3-66.2173.6000107.8I25 Q96 V97 Y99I25-I94 HydrophobicContact CB-CD1 4.04Å; I25-I94 HydrophobicContact CG1-CD1 4.17Å; I25-I94 HydrophobicContact CG2-CD1 3.63Å; I94-Q96 PolarHBondContact O-N 3Å; I94-Q96 VanDerWaalsContact O-N 3.13Å; I94-V97 PolarHBondContact N-O 3.28Å; I94-V97 PolarHBondContact O-N 3.13Å; I94-Y99 HydrophobicContact CD1-CD1 4.46Å; I94-Y99 HydrophobicContact CD1-CE1 4Å; I94-Y99 HydrophobicContact CG1-CD1 4.38Å; I94-Y99 HydrophobicContact CG1-CE1 3.88Å
95G90.4Very high95.5Very high65 Ų6541.3 Ų41.367%0.6723%0.225SC*.THydrogen-bonded Turntrans58.8-116.5-173.900000111.2
96Q90.9Very high95.5Very high137 Ų13742.2 Ų42.264%0.6424%0.235SC*.THydrogen-bonded Turntrans-106.727.9178.9-62.6-61.6-38.800112.3R61 A62 I94R61-Q96 CarbonylContact C-O 3.56Å; R61-Q96 WeakPolarHBondContact CA-O 3.23Å; A62-Q96 WeakPolarHBondContact CB-O 3.47Å; A62-Q96 PolarHBondContact N-O 3.28Å; I94-Q96 PolarHBondContact O-N 3Å; I94-Q96 VanDerWaalsContact O-N 3.13Å
97V93.1Very high95.4Very high17 Ų1745.5 Ų45.510%0.10325%0.247CC..EExtended strand (participates in β ladder)trans-126.8123-178-178.20000109.5L18 F19 A59 E60 T93 I94L18-V97 HydrophobicContact CB-CG1 4.19Å; L18-V97 HydrophobicContact CB-CG2 4.27Å; L18-V97 HydrophobicContact CD1-CG1 4.18Å; L18-V97 HydrophobicContact CD2-CG2 4.23Å; F19-V97 HydrophobicContact CE1-CB 4.22Å; F19-V97 HydrophobicContact CE1-CG1 3.94Å; F19-V97 HydrophobicContact CE2-CG1 3.99Å; F19-V97 HydrophobicContact CZ-CB 4.1Å; F19-V97 HydrophobicContact CZ-CG1 3.43Å; F19-V97 VanDerWaalsContact CZ-CG1 3.43Å; A59-V97 HydrophobicContact CB-CG1 3.91Å; E60-V97 CarbonylContact O-C 3.53Å; E60-V97 WeakPolarHBondContact O-CA 3.28Å; E60-V97 WeakPolarHBondContact O-CG1 3.39Å; T93-V97 CarbonylContact C-O 3.6Å; T93-V97 VanDerWaalsContact CA-O 3.29Å; T93-V97 WeakPolarHBondContact CA-O 3.45Å; I94-V97 PolarHBondContact N-O 3.28Å; I94-V97 PolarHBondContact O-N 3.13Å
98H94.5Very high95.5Very high45 Ų4544.3 Ų44.321%0.20824%0.24CC..EExtended strand (participates in β ladder)trans-85.4143.4166.4-62.1-42.5000109A59 E60 A62 L69 G92 T93A59-H98 CarbonylContact C-O 3.54Å; A59-H98 VanDerWaalsContact CA-O 3.23Å; A59-H98 WeakPolarHBondContact CA-O 3.41Å; E60-H98 HydrophobicContact CG-CB 4.33Å; E60-H98 PolarHBondContact N-O 2.82Å; E60-H98 PolarHBondContact O-N 3.11Å; A62-H98 WeakPolarHBondContact CA-NE2 3.45Å; A62-H98 WeakPolarHBondContact CB-NE2 3.4Å; L69-H98 HydrophobicContact CD2-CB 3.7Å; L69-H98 WeakPolarHBondContact CD2-O 3.38Å; G92-H98 WeakPolarHBondContact O-CA 3.29Å; T93-H98 PolarHBondContact OG1-CE1 3.15Å; T93-H98 PolarHBondContact OG1-ND1 3.45Å
99Y95.9Very high95.5Very high9 Ų943.5 Ų43.54%0.03524%0.236CC..EExtended strand (participates in β ladder)trans-143.1154.7176.473.7-83.6000111.9F19 I25 N26 V57 K58 L69 Y91 G92 I94 V101F19-Y99 HydrophobicContact CZ-CD1 4.48Å; I25-Y99 HydrophobicContact CG2-CD1 4.21Å; I25-Y99 HydrophobicContact CG2-CD2 3.75Å; I25-Y99 HydrophobicContact CG2-CE1 3.89Å; I25-Y99 HydrophobicContact CG2-CE2 3.38Å; I25-Y99 HydrophobicContact CG2-CG 4.16Å; I25-Y99 VanDerWaalsContact CG2-CZ 3.47Å; N26-Y99 WeakPolarHBondContact CB-OH 3.32Å; V57-Y99 HydrophobicContact CG1-CD2 4.35Å; K58-Y99 CarbonylContact O-C 3.6Å; K58-Y99 VanDerWaalsContact O-CA 3.23Å; K58-Y99 WeakPolarHBondContact O-CA 3.39Å; L69-Y99 VanDerWaalsContact CD2-CA 3.47Å; Y91-Y99 CarbonylContact C-O 3.58Å; Y91-Y99 WeakPolarHBondContact CA-O 3.39Å; Y91-Y99 WeakPolarHBondContact CB-O 3.34Å; G92-Y99 PolarHBondContact N-O 2.82Å; G92-Y99 VanDerWaalsContact O-CD1 3.24Å; G92-Y99 WeakPolarHBondContact O-CD1 3.24Å; G92-Y99 PolarHBondContact O-N 3.4Å; I94-Y99 HydrophobicContact CD1-CD1 4.46Å; I94-Y99 HydrophobicContact CD1-CE1 4Å; I94-Y99 HydrophobicContact CG1-CD1 4.38Å; I94-Y99 HydrophobicContact CG1-CE1 3.88Å; Y99-V101 HydrophobicContact CD2-CG2 3.89Å; Y99-V101 HydrophobicContact CE2-CG2 3.87Å
100L96.9Very high95.7Very high0 Ų039.8 Ų39.80%022%0.224CC..EExtended strand (participates in β ladder)trans-127.7155.3162.968.182.9000110V57 K58 L69 D72 V73 L76 L88 S90 M102V57-L100 CarbonylContact C-O 3.5Å; V57-L100 VanDerWaalsContact CA-O 3.27Å; V57-L100 WeakPolarHBondContact CA-O 3.31Å; K58-L100 HydrophobicContact CB-CD1 4.02Å; K58-L100 HydrophobicContact CB-CG 4.04Å; K58-L100 PolarHBondContact N-O 3.1Å; K58-L100 PolarHBondContact O-N 2.75Å; L69-L100 HydrophobicContact CD1-CD2 3.48Å; L69-L100 VanDerWaalsContact CD1-CD2 3.48Å; L69-L100 HydrophobicContact CD1-CG 3.84Å; L69-L100 HydrophobicContact CG-CD2 3.98Å; L69-L100 HydrophobicContact CG-CG 4.41Å; D72-L100 HydrophobicContact CB-CD2 3.49Å; D72-L100 VanDerWaalsContact CB-CD2 3.49Å; V73-L100 HydrophobicContact CG2-CB 4.09Å; V73-L100 HydrophobicContact CG2-CD2 4.13Å; L76-L100 HydrophobicContact CD1-CD1 4.29Å; L76-L100 HydrophobicContact CD1-CD2 4.2Å; L88-L100 HydrophobicContact CD1-CB 3.88Å; L88-L100 HydrophobicContact CD1-CD1 4.31Å; S90-L100 CarbonylContact O-C 3.59Å; S90-L100 WeakPolarHBondContact O-CA 3.39Å; L100-M102 HydrophobicContact CD1-CB 4.03Å; L100-M102 HydrophobicContact CD1-CG 3.86Å; L100-M102 HydrophobicContact CD1-SD 3.7Å
101V97.2Very high95.7Very high0 Ų043.2 Ų43.20%024%0.237CC..EExtended strand (participates in β ladder)trans-122123178.2-171.80000107.6W29 V55 A56 V57 Y89 S90 Y99W29-V101 HydrophobicContact CD2-CG1 3.91Å; W29-V101 HydrophobicContact CE3-CG1 4.18Å; W29-V101 HydrophobicContact CG-CG1 4.39Å; W29-V101 HydrophobicContact CG-CG2 4.27Å; W29-V101 HydrophobicContact CH2-CG1 4.19Å; W29-V101 HydrophobicContact CZ2-CG1 3.95Å; W29-V101 HydrophobicContact CZ3-CG1 4.3Å; V55-V101 HydrophobicContact CB-CG1 3.86Å; V55-V101 HydrophobicContact CG1-CG1 4.31Å; V55-V101 HydrophobicContact CG2-CG1 3.57Å; A56-V101 WeakPolarHBondContact O-CA 3.14Å; V57-V101 HydrophobicContact CG2-CG1 4.44Å; V57-V101 HydrophobicContact CG2-CG2 4.19Å; Y89-V101 HydrophobicContact CD2-CG1 4.43Å; Y89-V101 PolarHBondContact N-O 2.83Å; S90-V101 PolarHBondContact N-O 3.13Å; S90-V101 PolarHBondContact O-N 3.42Å; Y99-V101 HydrophobicContact CD2-CG2 3.89Å; Y99-V101 HydrophobicContact CE2-CG2 3.87Å
102M97.2Very high95.8Very high25 Ų2537.2 Ų37.212%0.12321%0.214CC..EExtended strand (participates in β ladder)trans-139.7175.3-176.566.1-175.2-177.600111.2V55 A56 L76 C86 T87 L100 L104V55-M102 WeakPolarHBondContact CB-O 3.42Å; A56-M102 HydrophobicContact CB-CE 4.18Å; A56-M102 HydrophobicContact CB-CG 4.12Å; A56-M102 PolarHBondContact N-O 3.33Å; A56-M102 PolarHBondContact O-N 3.17Å; L76-M102 HydrophobicContact CD1-SD 4.12Å; C86-M102 HydrophobicContact CB-CB 4.13Å; C86-M102 HydrophobicContact CB-CG 4.39Å; C86-M102 HydrophobicContact CB-SD 4.23Å; T87-M102 WeakPolarHBondContact O-CA 3.48Å; T87-M102 WeakPolarHBondContact O-CB 3.39Å; L100-M102 HydrophobicContact CD1-CB 4.03Å; L100-M102 HydrophobicContact CD1-CG 3.86Å; L100-M102 HydrophobicContact CD1-SD 3.7Å; M102-L104 PolarHBondContact O-N 2.96Å
103D96.9Very high95.9Very high34 Ų3436.4 Ų36.418%0.18220%0.204CC..EExtended strand (participates in β ladder)trans-49.3135.7171.6-71.3-38.5000111.6C86 T87 Y89 M105C86-D103 HydrophobicContact CB-CB 4.14Å; T87-D103 WeakPolarHBondContact CA-OD2 3.43Å; T87-D103 WeakPolarHBondContact CB-OD2 3.49Å; T87-D103 PolarHBondContact N-OD2 2.67Å; T87-D103 PolarHBondContact O-N 3.04Å; T87-D103 PolarHBondContact OG1-OD2 2.65Å; T87-D103 VanDerWaalsContact OG1-OD2 3.08Å; Y89-D103 VanDerWaalsContact CE2-OD1 3.23Å; Y89-D103 WeakPolarHBondContact CE2-OD1 3.28Å; Y89-D103 PolarHBondContact OH-OD1 3.37Å; D103-M105 HydrophobicContact CB-CE 3.28Å; D103-M105 PolarHBondContact O-N 3.42Å
104L97.3Very high96Very high22 Ų2237.5 Ų37.512%0.11520%0.204CC..PPolyproline II helixtrans-76120.6168.5179.564.7000108I35 K45 E54 A56 M102 V159I35-L104 HydrophobicContact CD1-CD1 3.47Å; I35-L104 VanDerWaalsContact CD1-CD1 3.47Å; K45-L104 HydrophobicContact CD-CD2 4.07Å; K45-L104 HydrophobicContact CG-CD1 4.44Å; K45-L104 HydrophobicContact CG-CD2 4.1Å; E54-L104 HydrophobicContact CB-CD2 3.87Å; A56-L104 HydrophobicContact CB-CD1 4.21Å; M102-L104 PolarHBondContact O-N 2.96Å; L104-V159 HydrophobicContact CB-CG2 4.47Å; L104-V159 HydrophobicContact CD2-CG2 4.4Å; L104-V159 HydrophobicContact CG-CG2 4.12Å; L104-V159 WeakPolarHBondContact O-CG2 3.18Å
105M97.1Very high96.1Very high30 Ų3038.3 Ų38.315%0.14822%0.215CC..PPolyproline II helixtrans-90.2156.8174.7-64-66.4104.500111.4D103 A156 Y168 L170D103-M105 HydrophobicContact CB-CE 3.28Å; D103-M105 PolarHBondContact O-N 3.42Å; M105-A156 HydrophobicContact CB-CB 4.05Å; M105-A156 HydrophobicContact CG-CB 4.48Å; M105-Y168 HydrophobicContact CE-CD1 4.48Å; M105-Y168 HydrophobicContact CE-CG 4.49Å; M105-Y168 HydrophobicContact SD-CD1 3.95Å; M105-Y168 HydrophobicContact SD-CD2 3.55Å; M105-Y168 VanDerWaalsContact SD-CD2 3.55Å; M105-Y168 HydrophobicContact SD-CE1 4.48Å; M105-Y168 HydrophobicContact SD-CE2 4.13Å; M105-Y168 HydrophobicContact SD-CG 3.45Å; M105-L170 HydrophobicContact CG-CD1 4.36Å; M105-L170 HydrophobicContact CG-CD2 3.81Å
106G96.7Very high96.1Very high24 Ų2436.7 Ų36.725%0.24720%0.198CC..  trans-75.3-151.8166.800000111.5I157G106-I157 WeakPolarHBondContact CA-O 3.16Å; G106-I157 PolarHBondContact N-O 3.04Å
107R96.8Very high96Very high70 Ų7036.2 Ų36.226%0.26421%0.21SC..  trans-71.5153.3-177-67.6170.370.7-161.2-0.9112.3E111 I112 S115 A156 I157 E161R107-E111 WeakPolarHBondContact CA-OE2 3.49Å; R107-E111 HydrophobicContact CB-CB 4.21Å; R107-E111 WeakPolarHBondContact CB-OE2 3.35Å; R107-E111 PolarHBondContact NH2-O 3.41Å; R107-I112 HydrophobicContact CB-CD1 4.29Å; R107-I112 HydrophobicContact CB-CG1 3.77Å; R107-S115 PolarHBondContact NH1-OG 3.26Å; R107-S115 PolarHBondContact NH2-OG 3.42Å; R107-A156 WeakPolarHBondContact O-CA 3.46Å; R107-I157 PolarHBondContact O-N 3.18Å; R107-I157 VanDerWaalsContact O-N 3.11Å; R107-E161 WeakPolarHBondContact CD-OE1 3.39Å; R107-E161 IonicContact NH1-OE1 2.74Å; R107-E161 IonicContact NH1-OE2 2.68Å
108T98Very high95.9Very high21 Ų2143 Ų4313%0.12923%0.234CC..BIsolated β-bridgetrans-77.4157.9171.972.70000110.8S110 E111 I112 D153 L155T108-S110 PolarHBondContact O-N 2.86Å; T108-E111 PolarHBondContact N-OE2 3.29Å; T108-E111 PolarHBondContact O-N 3.05Å; T108-E111 VanDerWaalsContact O-N 3.12Å; T108-E111 WeakPolarHBondContact OG1-CG 3.06Å; T108-E111 PolarHBondContact OG1-N 3.15Å; T108-E111 VanDerWaalsContact OG1-N 3.16Å; T108-I112 VanDerWaalsContact O-CG1 3.28Å; T108-I112 WeakPolarHBondContact O-CG1 3.09Å; T108-I112 PolarHBondContact O-N 3.13Å; T108-D153 VanDerWaalsContact CG2-O 3.22Å; T108-D153 WeakPolarHBondContact CG2-O 3.38Å; T108-L155 CarbonylContact C-O 3.58Å; T108-L155 VanDerWaalsContact CA-O 3.25Å; T108-L155 WeakPolarHBondContact CA-O 3.46Å
109L98.5Very high95.9Very high0 Ų046.2 Ų46.20%025%0.247CC..Hα-helixtrans-59.9-34.1174.7-67.6-174.5000111.3I112 K113 F121 I129 P152 L155 I157 I167 W304L109-I112 HydrophobicContact CD2-CD1 4.41Å; L109-K113 WeakPolarHBondContact O-CB 3.16Å; L109-K113 PolarHBondContact O-N 3.31Å; L109-F121 HydrophobicContact CB-CE2 4.26Å; L109-F121 HydrophobicContact CD2-CE2 4.25Å; L109-F121 HydrophobicContact CD2-CZ 4.22Å; L109-I129 HydrophobicContact CD1-CD1 4.14Å; L109-I129 HydrophobicContact CD1-CG1 4.44Å; L109-I129 HydrophobicContact CD1-CG2 3.51Å; L109-I129 HydrophobicContact CD2-CD1 4.07Å; L109-P152 HydrophobicContact CB-CB 4.1Å; L109-P152 PolarHBondContact N-O 3.15Å; L109-L155 HydrophobicContact CB-CB 4.39Å; L109-L155 HydrophobicContact CD1-CB 3.61Å; L109-L155 HydrophobicContact CD1-CD1 3.98Å; L109-L155 HydrophobicContact CD1-CG 4.43Å; L109-L155 HydrophobicContact CG-CB 3.89Å; L109-L155 PolarHBondContact N-O 3.18Å; L109-I157 HydrophobicContact CD2-CG2 4.36Å; L109-I167 HydrophobicContact CD1-CG2 4.47Å; L109-I167 HydrophobicContact CD2-CD1 4.05Å; L109-W304 HydrophobicContact CD2-CH2 4.4Å; L109-W304 HydrophobicContact CD2-CZ3 4.1Å
110S97.7Very high96Very high19 Ų1946.8 Ų46.813%0.13325%0.251CS..Hα-helixtrans-57.3-51.5171.8-178.90000111.5T108 K113 Q114 P152 D153T108-S110 PolarHBondContact O-N 2.86Å; S110-K113 PolarHBondContact O-N 2.75Å; S110-Q114 WeakPolarHBondContact O-CB 3.4Å; S110-Q114 VanDerWaalsContact O-CG 3.24Å; S110-Q114 WeakPolarHBondContact O-CG 3.41Å; S110-Q114 PolarHBondContact O-N 3.08Å; S110-P152 PolarHBondContact N-O 2.86Å; S110-P152 VanDerWaalsContact N-O 3.08Å; S110-D153 WeakPolarHBondContact CB-OD1 3.4Å; S110-D153 PolarHBondContact OG-OD1 3.29Å
111E97.3Very high96Very high97 Ų9747 Ų4745%0.45325%0.252SS..Hα-helixtrans-63.5-45.5179.6-71.2171.6151.800112R107 T108 Q114 S115R107-E111 WeakPolarHBondContact CA-OE2 3.49Å; R107-E111 HydrophobicContact CB-CB 4.21Å; R107-E111 WeakPolarHBondContact CB-OE2 3.35Å; R107-E111 PolarHBondContact NH2-O 3.41Å; T108-E111 PolarHBondContact N-OE2 3.29Å; T108-E111 PolarHBondContact O-N 3.05Å; T108-E111 VanDerWaalsContact O-N 3.12Å; T108-E111 WeakPolarHBondContact OG1-CG 3.06Å; T108-E111 PolarHBondContact OG1-N 3.15Å; T108-E111 VanDerWaalsContact OG1-N 3.16Å; E111-Q114 PolarHBondContact O-N 3.37Å; E111-S115 PolarHBondContact O-N 2.89Å; E111-S115 VanDerWaalsContact O-N 3.11Å
112I98Very high96.1Very high8 Ų848.6 Ų48.64%0.04126%0.263CS..Hα-helixtrans-62.6-49.9-179.9-60.9167.2000109.7R107 T108 L109 Q114 S115 G116 F121 I157 W304R107-I112 HydrophobicContact CB-CD1 4.29Å; R107-I112 HydrophobicContact CB-CG1 3.77Å; T108-I112 VanDerWaalsContact O-CG1 3.28Å; T108-I112 WeakPolarHBondContact O-CG1 3.09Å; T108-I112 PolarHBondContact O-N 3.13Å; L109-I112 HydrophobicContact CD2-CD1 4.41Å; I112-Q114 VanDerWaalsContact C-N 3.33Å; I112-Q114 PolarHBondContact O-N 3.41Å; I112-S115 PolarHBondContact O-N 3.02Å; I112-S115 VanDerWaalsContact O-N 3.08Å; I112-S115 PolarHBondContact O-OG 3.11Å; I112-G116 PolarHBondContact O-N 3.39Å; I112-F121 HydrophobicContact CB-CE1 4.25Å; I112-F121 HydrophobicContact CB-CZ 3.93Å; I112-F121 HydrophobicContact CG2-CE1 3.57Å; I112-F121 HydrophobicContact CG2-CZ 3.78Å; I112-I157 HydrophobicContact CD1-CD1 3.45Å; I112-I157 VanDerWaalsContact CD1-CD1 3.45Å; I112-I157 HydrophobicContact CD1-CG1 3.79Å; I112-I157 HydrophobicContact CD1-CG2 4.21Å; I112-W304 HydrophobicContact CD1-CD2 4.38Å; I112-W304 HydrophobicContact CD1-CE3 4.27Å; I112-W304 HydrophobicContact CG2-CB 3.84Å; I112-W304 HydrophobicContact CG2-CE3 4.17Å
113K97.3Very high96.1Very high5 Ų551.1 Ų51.12%0.02227%0.271CS..Hα-helixtrans-53-51.1176.6-179.4174.672.190.20110.6L109 S110 S115 G116 K119 F121 E226 G230L109-K113 WeakPolarHBondContact O-CB 3.16Å; L109-K113 PolarHBondContact O-N 3.31Å; S110-K113 PolarHBondContact O-N 2.75Å; K113-S115 PolarHBondContact O-N 3.21Å; K113-G116 PolarHBondContact O-N 2.84Å; K113-K119 WeakPolarHBondContact CD-O 3.31Å; K113-K119 VanDerWaalsContact CG-C 3.47Å; K113-K119 WeakPolarHBondContact CG-O 3.24Å; K113-K119 WeakPolarHBondContact O-CA 3.32Å; K113-F121 HydrophobicContact CB-CE2 3.98Å; K113-F121 HydrophobicContact CB-CZ 4.04Å; K113-E226 WeakPolarHBondContact CE-OE1 3.23Å; K113-E226 IonicContact NZ-OE1 3.88Å; K113-E226 PolarHBondContact NZ-OE1 2.84Å; K113-G230 PolarHBondContact NZ-O 3.26Å
114Q96.2Very high96.2Very high104 Ų10450.4 Ų50.449%0.48627%0.268SS..Hα-helixtrans-63-25.5-179.2-72.7-79.730.700114.2S110 E111 I112S110-Q114 WeakPolarHBondContact O-CB 3.4Å; S110-Q114 VanDerWaalsContact O-CG 3.24Å; S110-Q114 WeakPolarHBondContact O-CG 3.41Å; S110-Q114 PolarHBondContact O-N 3.08Å; E111-Q114 PolarHBondContact O-N 3.37Å; I112-Q114 VanDerWaalsContact C-N 3.33Å; I112-Q114 PolarHBondContact O-N 3.41Å
115S93.9Very high96.2Very high73 Ų7349.4 Ų49.451%0.5126%0.262SS..Hα-helixtrans-80.6-17174.767.20000114.6R107 E111 I112 K113R107-S115 PolarHBondContact NH1-OG 3.26Å; R107-S115 PolarHBondContact NH2-OG 3.42Å; E111-S115 PolarHBondContact O-N 2.89Å; E111-S115 VanDerWaalsContact O-N 3.11Å; I112-S115 PolarHBondContact O-N 3.02Å; I112-S115 VanDerWaalsContact O-N 3.08Å; I112-S115 PolarHBondContact O-OG 3.11Å; K113-S115 PolarHBondContact O-N 3.21Å
116G90.1Very high96.3Very high30 Ų3048 Ų4831%0.30926%0.255SS..SBendtrans-72.2142.717500000111.3I112 K113 R118 K119I112-G116 PolarHBondContact O-N 3.39Å; K113-G116 PolarHBondContact O-N 2.84Å; G116-R118 PolarHBondContact O-N 3.46Å; G116-K119 PolarHBondContact O-N 3.36Å
117S88.6Confident96.4Very high128 Ų12846.8 Ų46.890%0.89524%0.243SC*.THydrogen-bonded Turntrans-59-34.5-178.956.50000113.6
118R90.9Very high96.5Very high160 Ų16043.7 Ų43.760%0.60423%0.232SC*.THydrogen-bonded Turntrans-85.8-10.5177-67.2-172.6-68.1137.23113.6G116 T120G116-R118 PolarHBondContact O-N 3.46Å; R118-T120 WeakPolarHBondContact O-CG2 3.37Å; R118-T120 PolarHBondContact O-N 3.26Å
119K96.1Very high96.5Very high112 Ų11242.7 Ų42.749%0.48723%0.225SC..SBendtrans53.429.4-170.2-56.6-177.7175.5-170.30113.9K113 G116 G230K113-K119 WeakPolarHBondContact CD-O 3.31Å; K113-K119 VanDerWaalsContact CG-C 3.47Å; K113-K119 WeakPolarHBondContact CG-O 3.24Å; K113-K119 WeakPolarHBondContact O-CA 3.32Å; G116-K119 PolarHBondContact O-N 3.36Å; K119-G230 VanDerWaalsContact O-CA 3.24Å; K119-G230 WeakPolarHBondContact O-CA 3.37Å
120T97.1Very high96.5Very high21 Ų2142.7 Ų42.713%0.12923%0.225CC..SBendtrans-137.1162.6176.273.90000109.6R118 C227 M228 Q229R118-T120 WeakPolarHBondContact O-CG2 3.37Å; R118-T120 PolarHBondContact O-N 3.26Å; T120-C227 CarbonylContact C-O 3.55Å; T120-C227 WeakPolarHBondContact CA-O 3.44Å; T120-M228 WeakPolarHBondContact CB-O 3.47Å; T120-Q229 VanDerWaalsContact CG2-C 3.45Å
121F98Very high96.6Very high5 Ų542.2 Ų42.22%0.02222%0.221CC..  trans-96.6153.6163.3-67.5-55.1000110.8L109 I112 K113 T125 S126 I129 C227 D303 W304L109-F121 HydrophobicContact CB-CE2 4.26Å; L109-F121 HydrophobicContact CD2-CE2 4.25Å; L109-F121 HydrophobicContact CD2-CZ 4.22Å; I112-F121 HydrophobicContact CB-CE1 4.25Å; I112-F121 HydrophobicContact CB-CZ 3.93Å; I112-F121 HydrophobicContact CG2-CE1 3.57Å; I112-F121 HydrophobicContact CG2-CZ 3.78Å; K113-F121 HydrophobicContact CB-CE2 3.98Å; K113-F121 HydrophobicContact CB-CZ 4.04Å; F121-T125 HydrophobicContact CB-CG2 3.77Å; F121-T125 HydrophobicContact CD1-CG2 3.77Å; F121-T125 HydrophobicContact CD2-CG2 4.41Å; F121-T125 HydrophobicContact CE1-CG2 4.46Å; F121-T125 HydrophobicContact CG-CG2 3.74Å; F121-S126 WeakPolarHBondContact CB-OG 3.33Å; F121-I129 HydrophobicContact CD2-CD1 4Å; F121-I129 HydrophobicContact CE2-CD1 4.14Å; F121-C227 HydrophobicContact CD2-CB 3.79Å; F121-C227 PolarHBondContact N-O 2.97Å; F121-D303 WeakPolarHBondContact CA-OD2 3.35Å; F121-D303 HydrophobicContact CD1-CB 3.93Å; F121-D303 HydrophobicContact CE1-CB 4.48Å; F121-W304 HydrophobicContact CE1-CE3 4.03Å; F121-W304 HydrophobicContact CE1-CZ3 4.25Å; F121-W304 HydrophobicContact CZ-CE3 4.42Å; F121-W304 HydrophobicContact CZ-CZ3 4.39Å
122S97.5Very high96.7Very high32 Ų3237.9 Ų37.922%0.22420%0.201CC..  trans-58.7156165.5690000111.4N124 T125 S126 D303S122-N124 VanDerWaalsContact C-N 3.27Å; S122-N124 PolarHBondContact O-N 3.47Å; S122-T125 PolarHBondContact O-N 3.13Å; S122-T125 WeakPolarHBondContact OG-CB 3.36Å; S122-T125 PolarHBondContact OG-N 2.89Å; S122-T125 PolarHBondContact OG-OG1 3.1Å; S122-S126 WeakPolarHBondContact O-CB 3.44Å; S122-S126 PolarHBondContact O-N 2.83Å; S122-S126 PolarHBondContact O-OG 3.47Å; S122-S126 VanDerWaalsContact O-OG 3.11Å; S122-D303 WeakPolarHBondContact CB-OD1 3.31Å; S122-D303 PolarHBondContact N-OD2 2.83Å; S122-D303 PolarHBondContact OG-OD1 3.22Å
123W98Very high96.7Very high79 Ų7937.6 Ų37.630%0.29920%0.2SC..Hα-helixtrans-58.5-41.5174.5-69.60.6000111.7T125 S126 L127 N257 P259 H294 Y296W123-T125 PolarHBondContact O-N 3.12Å; W123-S126 PolarHBondContact O-N 3.08Å; W123-L127 WeakPolarHBondContact O-CB 3.28Å; W123-L127 VanDerWaalsContact O-CG 3.29Å; W123-L127 WeakPolarHBondContact O-CG 3.43Å; W123-L127 PolarHBondContact O-N 2.56Å; W123-N257 PolarHBondContact NE1-O 2.96Å; W123-P259 HydrophobicContact CD2-CG 4.01Å; W123-P259 HydrophobicContact CE3-CG 3.75Å; W123-P259 HydrophobicContact CH2-CG 4.44Å; W123-P259 HydrophobicContact CZ3-CG 3.98Å; W123-H294 AromaticContact CE3-CE1 3.89Å; W123-H294 AromaticContact CE3-NE2 3.83Å; W123-H294 AromaticContact CZ3-CE1 3.59Å; W123-H294 AromaticContact CZ3-NE2 3.63Å; W123-Y296 HydrophobicContact CB-CE2 4.01Å
124N98.4Very high96.8Very high19 Ų1937.5 Ų37.510%0.10220%0.199CC..Hα-helixtrans-54.2-51.1175.1-173.1-15.9000111.9S122 R128 Y296 D300S122-N124 VanDerWaalsContact C-N 3.27Å; S122-N124 PolarHBondContact O-N 3.47Å; N124-R128 WeakPolarHBondContact O-CG 3.34Å; N124-R128 PolarHBondContact O-N 3.12Å; N124-R128 PolarHBondContact O-NE 3.07Å; N124-R128 WeakPolarHBondContact OD1-CD 3.38Å; N124-R128 PolarHBondContact OD1-NE 3.16Å; N124-R128 PolarHBondContact OD1-NH2 3.14Å; N124-Y296 HydrophobicContact CB-CD1 3.67Å; N124-Y296 HydrophobicContact CB-CD2 3.78Å; N124-Y296 HydrophobicContact CB-CE1 3.85Å; N124-Y296 HydrophobicContact CB-CE2 3.98Å; N124-Y296 HydrophobicContact CB-CG 3.63Å; N124-Y296 WeakPolarHBondContact ND2-CD1 3.33Å; N124-D300 PolarHBondContact ND2-OD2 3.24Å
125T98.5Very high96.9Very high0 Ų035 Ų350%019%0.188CC..Hα-helixtrans-62.5-48.4175.4-73.80000111.8F121 S122 W123 L127 R128 I129 Y302 D303 W304F121-T125 HydrophobicContact CB-CG2 3.77Å; F121-T125 HydrophobicContact CD1-CG2 3.77Å; F121-T125 HydrophobicContact CD2-CG2 4.41Å; F121-T125 HydrophobicContact CE1-CG2 4.46Å; F121-T125 HydrophobicContact CG-CG2 3.74Å; S122-T125 PolarHBondContact O-N 3.13Å; S122-T125 WeakPolarHBondContact OG-CB 3.36Å; S122-T125 PolarHBondContact OG-N 2.89Å; S122-T125 PolarHBondContact OG-OG1 3.1Å; W123-T125 PolarHBondContact O-N 3.12Å; T125-L127 PolarHBondContact O-N 2.95Å; T125-R128 PolarHBondContact O-N 3.05Å; T125-I129 HydrophobicContact CG2-CD1 3.56Å; T125-I129 HydrophobicContact CG2-CG1 4.31Å; T125-I129 VanDerWaalsContact O-CG1 3.24Å; T125-I129 WeakPolarHBondContact O-CG1 2.95Å; T125-I129 PolarHBondContact O-N 3.39Å; T125-Y302 HydrophobicContact CG2-CD1 3.88Å; T125-D303 WeakPolarHBondContact CB-OD1 3.46Å; T125-D303 HydrophobicContact CG2-CB 4.37Å; T125-D303 PolarHBondContact OG1-N 2.82Å; T125-D303 PolarHBondContact OG1-OD1 2.97Å; T125-W304 HydrophobicContact CG2-CE3 4.41Å; T125-W304 HydrophobicContact CG2-CH2 4.39Å; T125-W304 HydrophobicContact CG2-CZ3 3.74Å
126S98.7Very high97.2Very high0 Ų031.6 Ų31.60%016%0.164CC..Hα-helixtrans-63.3-40.5-176.6-64.40000113.8F121 S122 W123 I129 A130 M228F121-S126 WeakPolarHBondContact CB-OG 3.33Å; S122-S126 WeakPolarHBondContact O-CB 3.44Å; S122-S126 PolarHBondContact O-N 2.83Å; S122-S126 PolarHBondContact O-OG 3.47Å; S122-S126 VanDerWaalsContact O-OG 3.11Å; W123-S126 PolarHBondContact O-N 3.08Å; S126-I129 PolarHBondContact O-N 3.47Å; S126-A130 WeakPolarHBondContact O-CB 3.24Å; S126-A130 PolarHBondContact O-N 3.36Å; S126-M228 VanDerWaalsContact CB-CE 3.46Å; S126-M228 WeakPolarHBondContact OG-CG 3.42Å
127L98.8Very high97.6Very high0 Ų030.2 Ų30.20%015%0.15CC..Hα-helixtrans-65.4-41.8178-72.2164.5000111.6W123 T125 A130 I131 M228 F287 I290 M291 Y296W123-L127 WeakPolarHBondContact O-CB 3.28Å; W123-L127 VanDerWaalsContact O-CG 3.29Å; W123-L127 WeakPolarHBondContact O-CG 3.43Å; W123-L127 PolarHBondContact O-N 2.56Å; T125-L127 PolarHBondContact O-N 2.95Å; L127-A130 VanDerWaalsContact O-CB 3.27Å; L127-A130 WeakPolarHBondContact O-CB 3.41Å; L127-A130 PolarHBondContact O-N 3.48Å; L127-A130 VanDerWaalsContact O-N 3.14Å; L127-I131 WeakPolarHBondContact O-CG1 3.19Å; L127-I131 PolarHBondContact O-N 2.92Å; L127-M228 HydrophobicContact CD2-CE 3.91Å; L127-M228 HydrophobicContact CG-CE 3.86Å; L127-F287 HydrophobicContact CD2-CB 4.33Å; L127-F287 HydrophobicContact CD2-CD1 3.93Å; L127-F287 HydrophobicContact CD2-CG 4.47Å; L127-I290 HydrophobicContact CD1-CB 4.25Å; L127-I290 HydrophobicContact CD1-CG2 3.6Å; L127-I290 HydrophobicContact CD2-CB 4.29Å; L127-I290 HydrophobicContact CD2-CD1 4.15Å; L127-I290 HydrophobicContact CD2-CG2 4.11Å; L127-M291 HydrophobicContact CB-CG 3.88Å; L127-M291 HydrophobicContact CB-SD 4.23Å; L127-M291 HydrophobicContact CD1-CG 3.95Å; L127-Y296 HydrophobicContact CD1-CD2 4.09Å; L127-Y296 HydrophobicContact CD1-CE2 4.18Å
128R98.7Very high98.1Very high5 Ų527.3 Ų27.32%0.01912%0.122CC..Hα-helixtrans-71.6-32.3177.4-65.3177-57.7168.11.1112.8N124 T125 A130 Q132 M291 Q297 D300 P301 Y302N124-R128 WeakPolarHBondContact O-CG 3.34Å; N124-R128 PolarHBondContact O-N 3.12Å; N124-R128 PolarHBondContact O-NE 3.07Å; N124-R128 WeakPolarHBondContact OD1-CD 3.38Å; N124-R128 PolarHBondContact OD1-NE 3.16Å; N124-R128 PolarHBondContact OD1-NH2 3.14Å; T125-R128 PolarHBondContact O-N 3.05Å; R128-A130 VanDerWaalsContact C-N 3.34Å; R128-Q132 PolarHBondContact O-N 3.27Å; R128-M291 HydrophobicContact CG-CE 3.57Å; R128-M291 HydrophobicContact CG-SD 3.61Å; R128-Q297 PolarHBondContact NH1-O 3.04Å; R128-D300 VanDerWaalsContact NH1-C 3.29Å; R128-D300 VanDerWaalsContact NH1-CB 3.31Å; R128-D300 PolarHBondContact NH1-O 3.25Å; R128-P301 PolarHBondContact NH2-O 3.43Å; R128-Y302 HydrophobicContact CB-CE1 3.77Å
129I98.8Very high98.4Very high0 Ų021.5 Ų21.50%010%0.102CC..Hα-helixtrans-62.1-45.4166.8-67.2164.6000109.4L109 F121 T125 S126 I131 Q132 C133 I167 I224 Y302 W304L109-I129 HydrophobicContact CD1-CD1 4.14Å; L109-I129 HydrophobicContact CD1-CG1 4.44Å; L109-I129 HydrophobicContact CD1-CG2 3.51Å; L109-I129 HydrophobicContact CD2-CD1 4.07Å; F121-I129 HydrophobicContact CD2-CD1 4Å; F121-I129 HydrophobicContact CE2-CD1 4.14Å; T125-I129 HydrophobicContact CG2-CD1 3.56Å; T125-I129 HydrophobicContact CG2-CG1 4.31Å; T125-I129 VanDerWaalsContact O-CG1 3.24Å; T125-I129 WeakPolarHBondContact O-CG1 2.95Å; T125-I129 PolarHBondContact O-N 3.39Å; S126-I129 PolarHBondContact O-N 3.47Å; I129-I131 VanDerWaalsContact C-N 3.33Å; I129-I131 PolarHBondContact O-N 2.92Å; I129-Q132 PolarHBondContact O-N 3.16Å; I129-C133 WeakPolarHBondContact O-CB 3.49Å; I129-C133 PolarHBondContact O-N 3.07Å; I129-C133 PolarHBondContact O-SG 3.28Å; I129-I167 HydrophobicContact CG1-CD1 4.16Å; I129-I167 HydrophobicContact CG1-CG1 4.35Å; I129-I167 HydrophobicContact CG2-CG1 4.43Å; I129-I224 HydrophobicContact CB-CD1 4.12Å; I129-I224 HydrophobicContact CG2-CD1 3.58Å; I129-Y302 HydrophobicContact CG1-CE1 4.42Å; I129-W304 HydrophobicContact CD1-CH2 4.27Å; I129-W304 HydrophobicContact CD1-CZ3 4.02Å; I129-W304 HydrophobicContact CG1-CH2 4.25Å; I129-W304 HydrophobicContact CG1-CZ3 4.5Å
130A98.9Very high98.6Very high0 Ų016.2 Ų16.20%08%0.079CC..Hα-helixtrans-57.2-45.5-179.300000112.2S126 L127 R128 C133 V134 I224 F287S126-A130 WeakPolarHBondContact O-CB 3.24Å; S126-A130 PolarHBondContact O-N 3.36Å; L127-A130 VanDerWaalsContact O-CB 3.27Å; L127-A130 WeakPolarHBondContact O-CB 3.41Å; L127-A130 PolarHBondContact O-N 3.48Å; L127-A130 VanDerWaalsContact O-N 3.14Å; R128-A130 VanDerWaalsContact C-N 3.34Å; A130-C133 PolarHBondContact O-N 2.96Å; A130-V134 WeakPolarHBondContact O-CG2 3.46Å; A130-V134 PolarHBondContact O-N 3.38Å; A130-I224 HydrophobicContact CB-CB 4.38Å; A130-I224 HydrophobicContact CB-CD1 3.82Å; A130-I224 HydrophobicContact CB-CG1 3.63Å; A130-I224 HydrophobicContact CB-CG2 3.91Å; A130-F287 HydrophobicContact CB-CD1 4.49Å; A130-F287 HydrophobicContact CB-CD2 3.78Å; A130-F287 HydrophobicContact CB-CE1 4.38Å; A130-F287 HydrophobicContact CB-CE2 3.62Å; A130-F287 HydrophobicContact CB-CG 4.23Å; A130-F287 HydrophobicContact CB-CZ 3.95Å
131I98.9Very high98.6Very high8 Ų815.4 Ų15.44%0.0417%0.073CC..Hα-helixtrans-55.8-54.3174.9-68.1167.9000110.3L127 I129 C133 V134 E135 I284 F287 E288 M291L127-I131 WeakPolarHBondContact O-CG1 3.19Å; L127-I131 PolarHBondContact O-N 2.92Å; I129-I131 VanDerWaalsContact C-N 3.33Å; I129-I131 PolarHBondContact O-N 2.92Å; I131-C133 VanDerWaalsContact C-N 3.29Å; I131-C133 PolarHBondContact O-N 3.14Å; I131-V134 PolarHBondContact O-N 2.86Å; I131-V134 VanDerWaalsContact O-N 3.09Å; I131-E135 WeakPolarHBondContact O-CG 3.27Å; I131-E135 PolarHBondContact O-N 3.19Å; I131-I284 HydrophobicContact CG1-CG2 4.33Å; I131-I284 HydrophobicContact CG2-CG1 4.39Å; I131-I284 HydrophobicContact CG2-CG2 3.92Å; I131-F287 HydrophobicContact CD1-CB 4.13Å; I131-F287 HydrophobicContact CG1-CB 3.75Å; I131-F287 HydrophobicContact CG1-CD2 4.19Å; I131-F287 HydrophobicContact CG1-CG 4.45Å; I131-E288 HydrophobicContact CD1-CG 3.74Å; I131-M291 HydrophobicContact CD1-SD 3.66Å
132Q98.9Very high98.6Very high7 Ų719.7 Ų19.73%0.03310%0.104CC..Hα-helixtrans-63.4-34-179.5-68.4-16867.800113.2H84 R128 I129 E135 A136 R165 I167 Y302H84-Q132 PolarHBondContact CE1-OE1 3.42Å; H84-Q132 VanDerWaalsContact CE1-OE1 3.3Å; R128-Q132 PolarHBondContact O-N 3.27Å; I129-Q132 PolarHBondContact O-N 3.16Å; Q132-E135 WeakPolarHBondContact CA-OE2 3.34Å; Q132-E135 PolarHBondContact O-N 2.98Å; Q132-A136 WeakPolarHBondContact O-CB 3.35Å; Q132-A136 PolarHBondContact O-N 3.4Å; Q132-R165 PolarHBondContact NE2-O 2.98Å; Q132-R165 PolarHBondContact OE1-O 3.24Å; Q132-I167 HydrophobicContact CB-CB 4.05Å; Q132-I167 HydrophobicContact CB-CG1 4.04Å; Q132-Y302 PolarHBondContact NE2-OH 2.8Å
133C98.9Very high98.6Very high2 Ų220 Ų201%0.01410%0.103CC..Hα-helixtrans-65.5-40174.2-72.90000111.7I129 A130 I131 A136 V137 V220I129-C133 WeakPolarHBondContact O-CB 3.49Å; I129-C133 PolarHBondContact O-N 3.07Å; I129-C133 PolarHBondContact O-SG 3.28Å; A130-C133 PolarHBondContact O-N 2.96Å; I131-C133 VanDerWaalsContact C-N 3.29Å; I131-C133 PolarHBondContact O-N 3.14Å; C133-A136 PolarHBondContact O-N 3.42Å; C133-V137 WeakPolarHBondContact O-CB 3.37Å; C133-V137 VanDerWaalsContact O-CG2 3.24Å; C133-V137 WeakPolarHBondContact O-CG2 3.46Å; C133-V137 PolarHBondContact O-N 2.74Å; C133-V220 HydrophobicContact CB-CG1 3.72Å; C133-V220 HydrophobicContact CB-CG2 4.03Å
134V98.9Very high98.6Very high2 Ų216.4 Ų16.41%0.0129%0.09CC..Hα-helixtrans-66.5-41.4175.3176.90000110.8A130 I131 V137 E138 L217 V220 Y280 I283 I284 F287A130-V134 WeakPolarHBondContact O-CG2 3.46Å; A130-V134 PolarHBondContact O-N 3.38Å; I131-V134 PolarHBondContact O-N 2.86Å; I131-V134 VanDerWaalsContact O-N 3.09Å; V134-V137 PolarHBondContact O-N 3.2Å; V134-E138 WeakPolarHBondContact O-CB 3.44Å; V134-E138 PolarHBondContact O-N 3.14Å; V134-L217 HydrophobicContact CG1-CD2 4.46Å; V134-L217 HydrophobicContact CG2-CD2 4.29Å; V134-V220 HydrophobicContact CG2-CG1 4.35Å; V134-Y280 HydrophobicContact CG1-CD1 4.03Å; V134-Y280 HydrophobicContact CG1-CG 4.48Å; V134-I283 HydrophobicContact CG1-CB 4.5Å; V134-I283 HydrophobicContact CG2-CG2 3.88Å; V134-I284 HydrophobicContact CB-CD1 4.37Å; V134-I284 HydrophobicContact CB-CG1 4.01Å; V134-I284 HydrophobicContact CG1-CD1 3.99Å; V134-I284 HydrophobicContact CG1-CG1 3.81Å; V134-F287 HydrophobicContact CG2-CE2 4.09Å
135E98.9Very high98.6Very high51 Ų5116.9 Ų16.924%0.2389%0.091CC..Hα-helixtrans-58.9-48.8173.3-66.5175.5139.300111.2R83 H84 I131 Q132 V137 E138 E139 I284R83-E135 IonicContact CZ-OE2 3.21Å; R83-E135 IonicContact NH1-OE1 2.64Å; R83-E135 PolarHBondContact NH1-OE1 3.47Å; R83-E135 IonicContact NH1-OE2 3.58Å; R83-E135 PolarHBondContact NH1-OE2 2.95Å; H84-E135 IonicContact CE1-OE2 2.9Å; H84-E135 IonicContact NE2-OE2 3.58Å; H84-E135 PolarHBondContact NE2-OE2 2.77Å; I131-E135 WeakPolarHBondContact O-CG 3.27Å; I131-E135 PolarHBondContact O-N 3.19Å; Q132-E135 WeakPolarHBondContact CA-OE2 3.34Å; Q132-E135 PolarHBondContact O-N 2.98Å; E135-V137 VanDerWaalsContact C-N 3.35Å; E135-V137 PolarHBondContact O-N 2.83Å; E135-E138 WeakPolarHBondContact O-CB 3.47Å; E135-E138 PolarHBondContact O-N 3.21Å; E135-E139 WeakPolarHBondContact O-CG 3.49Å; E135-E139 PolarHBondContact O-N 2.76Å; E135-I284 HydrophobicContact CG-CD1 3.82Å
136A98.8Very high98.6Very high2 Ų216.9 Ų16.92%0.0179%0.091CC..Hα-helixtrans-60.4-41.8177.700000112.6H84 Q132 C133 E139 V140 L169H84-A136 HydrophobicContact CB-CB 3.41Å; H84-A136 VanDerWaalsContact CB-CB 3.41Å; Q132-A136 WeakPolarHBondContact O-CB 3.35Å; Q132-A136 PolarHBondContact O-N 3.4Å; C133-A136 PolarHBondContact O-N 3.42Å; A136-E139 WeakPolarHBondContact O-CB 3.19Å; A136-E139 PolarHBondContact O-N 3.47Å; A136-V140 WeakPolarHBondContact O-CG2 3.25Å; A136-V140 PolarHBondContact O-N 3.09Å; A136-V140 VanDerWaalsContact O-N 3.11Å; A136-L169 HydrophobicContact CB-CB 4.26Å; A136-L169 HydrophobicContact CB-CD2 4.45Å
137V98.9Very high98.6Very high2 Ų217 Ų171%0.0129%0.091CC..Hα-helixtrans-64.8-41.2175.8168.60000111.1C133 V134 E135 V140 H141 I150 D216 L217 V220 Y280C133-V137 WeakPolarHBondContact O-CB 3.37Å; C133-V137 VanDerWaalsContact O-CG2 3.24Å; C133-V137 WeakPolarHBondContact O-CG2 3.46Å; C133-V137 PolarHBondContact O-N 2.74Å; V134-V137 PolarHBondContact O-N 3.2Å; E135-V137 VanDerWaalsContact C-N 3.35Å; E135-V137 PolarHBondContact O-N 2.83Å; V137-V140 PolarHBondContact O-N 3.24Å; V137-H141 WeakPolarHBondContact CG1-CE1 3.45Å; V137-H141 WeakPolarHBondContact O-CB 3.43Å; V137-H141 PolarHBondContact O-CD2 2.89Å; V137-H141 PolarHBondContact O-N 2.63Å; V137-I150 HydrophobicContact CG2-CD1 3.37Å; V137-D216 HydrophobicContact CG1-CB 4.07Å; V137-L217 HydrophobicContact CB-CD2 4.44Å; V137-L217 HydrophobicContact CG1-CD2 3.97Å; V137-L217 HydrophobicContact CG1-CG 4.38Å; V137-V220 HydrophobicContact CG2-CG2 3.79Å; V137-Y280 HydrophobicContact CG1-CE1 4.29Å
138E98.8Very high98.5Very high66 Ų6618.3 Ų18.331%0.30810%0.096SC..Hα-helixtrans-61.2-42.9174.8-175.5170.5-152.400111.5V134 E135 V140 H141 S142 Y280V134-E138 WeakPolarHBondContact O-CB 3.44Å; V134-E138 PolarHBondContact O-N 3.14Å; E135-E138 WeakPolarHBondContact O-CB 3.47Å; E135-E138 PolarHBondContact O-N 3.21Å; E138-V140 PolarHBondContact O-N 3.47Å; E138-H141 PolarHBondContact O-N 2.55Å; E138-S142 VanDerWaalsContact O-CB 3.32Å; E138-S142 WeakPolarHBondContact O-CB 3.43Å; E138-S142 PolarHBondContact O-N 2.95Å; E138-Y280 HydrophobicContact CB-CD1 3.97Å; E138-Y280 HydrophobicContact CB-CD2 4.08Å; E138-Y280 HydrophobicContact CB-CE1 4.26Å; E138-Y280 HydrophobicContact CB-CE2 4.36Å; E138-Y280 HydrophobicContact CB-CG 3.89Å; E138-Y280 VanDerWaalsContact CD-CD2 3.49Å; E138-Y280 HydrophobicContact CG-CD1 4.47Å; E138-Y280 HydrophobicContact CG-CD2 3.66Å; E138-Y280 HydrophobicContact CG-CE2 3.95Å; E138-Y280 HydrophobicContact CG-CG 3.95Å; E138-Y280 VanDerWaalsContact OE1-CD2 3.32Å; E138-Y280 WeakPolarHBondContact OE1-CD2 3.48Å
139E98.6Very high98.5Very high39 Ų3918.3 Ų18.318%0.18210%0.097CC..Hα-helixtrans-56.4-48.9174.8-71-178.2153.800111.3L79 R83 H84 E135 A136 S142L79-E139 HydrophobicContact CD2-CB 4.38Å; R83-E139 PolarHBondContact N-OE1 2.7Å; H84-E139 WeakPolarHBondContact CB-OE2 3.2Å; H84-E139 IonicContact CD2-OE1 2.76Å; H84-E139 IonicContact CD2-OE2 3.81Å; H84-E139 IonicContact CG-OE2 3.38Å; H84-E139 PolarHBondContact N-OE2 3.49Å; H84-E139 VanDerWaalsContact N-OE2 3.1Å; E135-E139 WeakPolarHBondContact O-CG 3.49Å; E135-E139 PolarHBondContact O-N 2.76Å; A136-E139 WeakPolarHBondContact O-CB 3.19Å; A136-E139 PolarHBondContact O-N 3.47Å; E139-S142 PolarHBondContact O-N 3Å; E139-S142 PolarHBondContact O-OG 3.01Å
140V98.8Very high98.4Very high1 Ų118.4 Ų18.41%0.00610%0.098CC..Hα-helixtrans-64.2-43177.7176.70000111.8L75 L79 A136 V137 E138 S142 I143 Y145 L169 F172L75-V140 HydrophobicContact CD2-CG1 4.42Å; L79-V140 HydrophobicContact CD1-CG2 4.11Å; A136-V140 WeakPolarHBondContact O-CG2 3.25Å; A136-V140 PolarHBondContact O-N 3.09Å; A136-V140 VanDerWaalsContact O-N 3.11Å; V137-V140 PolarHBondContact O-N 3.24Å; E138-V140 PolarHBondContact O-N 3.47Å; V140-S142 VanDerWaalsContact C-N 3.3Å; V140-S142 PolarHBondContact O-N 3.38Å; V140-I143 WeakPolarHBondContact O-CG1 3.45Å; V140-I143 PolarHBondContact O-N 3.09Å; V140-Y145 CarbonylContact C-O 3.59Å; V140-Y145 PolarHBondContact O-N 3.05Å; V140-L169 HydrophobicContact CG2-CD2 3.88Å; V140-F172 HydrophobicContact CG2-CE1 3.81Å
141H98.6Very high98.4Very high3 Ų320 Ų201%0.01410%0.104CC..Hα-helixtrans-66.1-33.4179.1-72.3176.6000112.3V137 E138 I143 G144 Y145 Y178 R213 D216 Y280V137-H141 WeakPolarHBondContact CG1-CE1 3.45Å; V137-H141 WeakPolarHBondContact O-CB 3.43Å; V137-H141 PolarHBondContact O-CD2 2.89Å; V137-H141 PolarHBondContact O-N 2.63Å; E138-H141 PolarHBondContact O-N 2.55Å; H141-I143 VanDerWaalsContact C-N 3.27Å; H141-I143 PolarHBondContact O-N 3.01Å; H141-G144 PolarHBondContact O-N 3.48Å; H141-Y145 WeakPolarHBondContact CA-O 3.22Å; H141-Y145 PolarHBondContact CD2-O 3.41Å; H141-Y178 PolarHBondContact O-OH 2.99Å; H141-R213 VanDerWaalsContact CE1-CB 3.49Å; H141-R213 WeakPolarHBondContact CE1-CB 3.31Å; H141-R213 PolarHBondContact CE1-O 2.95Å; H141-R213 VanDerWaalsContact CE1-O 3.25Å; H141-D216 IonicContact CD2-OD2 3.97Å; H141-D216 IonicContact NE2-OD2 3.95Å; H141-D216 PolarHBondContact NE2-OD2 3.4Å; H141-Y280 WeakPolarHBondContact CB-OH 3.32Å; H141-Y280 AromaticContact ND1-CE1 3.76Å; H141-Y280 AromaticContact ND1-CZ 3.61Å; H141-Y280 PolarHBondContact ND1-OH 3.23Å
142S97.5Very high98.4Very high95 Ų9519.6 Ų19.666%0.66410%0.102SC*.Hα-helixtrans-63.5-31.3-179.880.20000112.9E138 E139 V140 G144E138-S142 VanDerWaalsContact O-CB 3.32Å; E138-S142 WeakPolarHBondContact O-CB 3.43Å; E138-S142 PolarHBondContact O-N 2.95Å; E139-S142 PolarHBondContact O-N 3Å; E139-S142 PolarHBondContact O-OG 3.01Å; V140-S142 VanDerWaalsContact C-N 3.3Å; V140-S142 PolarHBondContact O-N 3.38Å; S142-G144 VanDerWaalsContact C-N 3.27Å; S142-G144 PolarHBondContact O-N 3.35Å
143I97.6Very high98.3Very high38 Ų3822.5 Ų22.520%0.19512%0.118CC..THydrogen-bonded Turntrans-86.94.4175.665.1154.7000113.3L75 K78 L79 V140 H141 Y145L75-I143 HydrophobicContact CG-CD1 4.1Å; K78-I143 HydrophobicContact CB-CD1 3.85Å; K78-I143 HydrophobicContact CB-CG2 4.37Å; K78-I143 HydrophobicContact CD-CD1 4.18Å; L79-I143 HydrophobicContact CD1-CD1 3.93Å; L79-I143 HydrophobicContact CD2-CD1 3.83Å; L79-I143 HydrophobicContact CD2-CG1 4.03Å; L79-I143 HydrophobicContact CD2-CG2 3.96Å; L79-I143 HydrophobicContact CG-CD1 3.69Å; L79-I143 HydrophobicContact CG-CG1 4.45Å; V140-I143 WeakPolarHBondContact O-CG1 3.45Å; V140-I143 PolarHBondContact O-N 3.09Å; H141-I143 VanDerWaalsContact C-N 3.27Å; H141-I143 PolarHBondContact O-N 3.01Å; I143-Y145 HydrophobicContact CD1-CD2 3.95Å; I143-Y145 HydrophobicContact CG1-CD2 4.07Å; I143-Y145 WeakPolarHBondContact O-CD2 3.35Å
144G98Very high98.2Very high4 Ų423.1 Ų23.14%0.04112%0.121CC..THydrogen-bonded Turntrans87.220.1173.600000115.5H141 S142 R177 Y178H141-G144 PolarHBondContact O-N 3.48Å; S142-G144 VanDerWaalsContact C-N 3.27Å; S142-G144 PolarHBondContact O-N 3.35Å; G144-R177 CarbonylContact O-C 3.55Å; G144-R177 WeakPolarHBondContact O-CA 3.27Å; G144-R177 VanDerWaalsContact O-CG 3.3Å; G144-R177 WeakPolarHBondContact O-CG 3.29Å; G144-Y178 VanDerWaalsContact C-CD1 3.42Å; G144-Y178 VanDerWaalsContact O-CD1 3.31Å; G144-Y178 WeakPolarHBondContact O-CD1 3.21Å; G144-Y178 PolarHBondContact O-N 3.02Å
145Y98.4Very high98.2Very high29 Ų2923.1 Ų23.111%0.11412%0.121CC..EExtended strand (participates in β ladder)trans-118.1157.5179.6-72.3-99.4000112L75 K78 V140 H141 I143 R176 R177 Y178L75-Y145 HydrophobicContact CD1-CD1 3.62Å; L75-Y145 HydrophobicContact CD1-CD2 4.44Å; L75-Y145 HydrophobicContact CD1-CE1 3.73Å; L75-Y145 HydrophobicContact CD1-CG 4.01Å; L75-Y145 HydrophobicContact CD2-CD1 4.29Å; L75-Y145 HydrophobicContact CD2-CG 4.12Å; L75-Y145 HydrophobicContact CG-CD1 4.23Å; L75-Y145 HydrophobicContact CG-CD2 4.44Å; L75-Y145 HydrophobicContact CG-CG 4.12Å; K78-Y145 HydrophobicContact CD-CE2 4.35Å; V140-Y145 CarbonylContact C-O 3.59Å; V140-Y145 PolarHBondContact O-N 3.05Å; H141-Y145 WeakPolarHBondContact CA-O 3.22Å; H141-Y145 PolarHBondContact CD2-O 3.41Å; I143-Y145 HydrophobicContact CD1-CD2 3.95Å; I143-Y145 HydrophobicContact CG1-CD2 4.07Å; I143-Y145 WeakPolarHBondContact O-CD2 3.35Å; Y145-R176 CarbonylContact C-O 3.59Å; Y145-R176 WeakPolarHBondContact CA-O 3.37Å; Y145-R176 VanDerWaalsContact CD1-C 3.49Å; Y145-R177 HydrophobicContact CD1-CB 3.91Å; Y145-R177 VanDerWaalsContact CD1-N 3.25Å; Y145-R177 HydrophobicContact CE1-CB 3.57Å; Y145-R177 HydrophobicContact CE1-CG 4.19Å; Y145-R177 HydrophobicContact CE2-CB 4.44Å; Y145-R177 HydrophobicContact CE2-CG 4.18Å; Y145-R177 HydrophobicContact CG-CB 4.47Å; Y145-Y178 WeakPolarHBondContact O-CE1 3.4Å
146L98.3Very high98.2Very high1 Ų120.7 Ų20.71%0.00511%0.11CC..EExtended strand (participates in β ladder)trans-106.9145.9164.9-54.3175.3000107.7R148 A175 R176 Y178 A211 R213 D216L146-R148 HydrophobicContact CB-CG 3.78Å; L146-A175 CarbonylContact O-C 3.56Å; L146-A175 WeakPolarHBondContact O-CA 2.9Å; L146-A175 VanDerWaalsContact O-CB 3.24Å; L146-A175 WeakPolarHBondContact O-CB 3.15Å; L146-R176 PolarHBondContact N-O 3.14Å; L146-R176 PolarHBondContact O-N 3.14Å; L146-Y178 HydrophobicContact CD2-CD1 3.63Å; L146-Y178 HydrophobicContact CD2-CE1 4.2Å; L146-Y178 HydrophobicContact CD2-CG 4.03Å; L146-Y178 HydrophobicContact CG-CD1 3.81Å; L146-Y178 HydrophobicContact CG-CG 4.13Å; L146-A211 HydrophobicContact CD1-CB 4.38Å; L146-A211 WeakPolarHBondContact CD1-O 3.43Å; L146-R213 HydrophobicContact CD2-CB 4.29Å; L146-R213 HydrophobicContact CD2-CG 3.72Å; L146-D216 VanDerWaalsContact CA-OD2 3.31Å; L146-D216 WeakPolarHBondContact CA-OD2 3.41Å
147H98.2Very high98.2Very high1 Ų120.6 Ų20.61%0.00511%0.109CC..  trans-75.9-52.4175.9-169.6-91.1000112D149 I150 L169 L170 D171 F172 L174 A175 D216H147-D149 VanDerWaalsContact C-N 3.27Å; H147-D149 PolarHBondContact CE1-O 3.08Å; H147-D149 VanDerWaalsContact ND1-C 3.3Å; H147-D149 PolarHBondContact ND1-N 2.93Å; H147-D149 PolarHBondContact O-N 3.41Å; H147-I150 HydrophobicContact CB-CD1 4.08Å; H147-I150 HydrophobicContact CB-CG1 3.85Å; H147-I150 WeakPolarHBondContact ND1-CG1 3.43Å; H147-I150 PolarHBondContact ND1-N 3.25Å; H147-L169 HydrophobicContact CB-CD2 4.45Å; H147-L170 PolarHBondContact CE1-O 3.39Å; H147-L170 PolarHBondContact NE2-O 3.17Å; H147-D171 PolarHBondContact CE1-O 3.47Å; H147-D171 PolarHBondContact NE2-O 3.18Å; H147-F172 AromaticContact CD2-CD1 3.53Å; H147-F172 AromaticContact CD2-CE1 3.64Å; H147-F172 AromaticContact NE2-CD1 3.94Å; H147-L174 CarbonylContact O-C 3.58Å; H147-A175 WeakPolarHBondContact O-CA 3.14Å; H147-A175 PolarHBondContact O-N 3.2Å; H147-D216 PolarHBondContact N-OD2 3.32Å
148R97.6Very high98.1Very high28 Ų2823.6 Ų23.611%0.10613%0.125CC..  trans68.53.4178.3-49.1-168.1-63.5157.8-0.3117.6L146 L174 D216L146-R148 HydrophobicContact CB-CG 3.78Å; R148-L174 PolarHBondContact NE-O 3Å; R148-L174 PolarHBondContact NH2-O 3.27Å; R148-D216 WeakPolarHBondContact CA-OD1 3.09Å; R148-D216 PolarHBondContact N-OD1 2.91Å
149D97.1Very high98Very high6 Ų624 Ų243%0.03213%0.132CC..  trans-145.247.6172.5-159.238.9000112.7H147 K151 N154 L174 G196 T197H147-D149 VanDerWaalsContact C-N 3.27Å; H147-D149 PolarHBondContact CE1-O 3.08Å; H147-D149 VanDerWaalsContact ND1-C 3.3Å; H147-D149 PolarHBondContact ND1-N 2.93Å; H147-D149 PolarHBondContact O-N 3.41Å; D149-K151 IonicContact OD1-NZ 2.55Å; D149-K151 WeakPolarHBondContact OD2-CE 3.49Å; D149-K151 IonicContact OD2-NZ 3.62Å; D149-K151 PolarHBondContact OD2-NZ 2.9Å; D149-N154 PolarHBondContact O-ND2 3.28Å; D149-N154 PolarHBondContact OD2-ND2 2.83Å; D149-L174 HydrophobicContact CB-CB 4.4Å; D149-L174 HydrophobicContact CB-CD1 3.81Å; D149-G196 WeakPolarHBondContact OD1-CA 3.41Å; D149-T197 WeakPolarHBondContact OD1-CB 3.36Å; D149-T197 PolarHBondContact OD1-N 3.4Å; D149-T197 PolarHBondContact OD1-OG1 3.01Å
150I98.7Very high97.9Very high2 Ų226.3 Ų26.31%0.0115%0.145CC..  trans-76.2125176.2-59162.7000108.6V137 H147 L155 L169 Y200 D216 V220V137-I150 HydrophobicContact CG2-CD1 3.37Å; H147-I150 HydrophobicContact CB-CD1 4.08Å; H147-I150 HydrophobicContact CB-CG1 3.85Å; H147-I150 WeakPolarHBondContact ND1-CG1 3.43Å; H147-I150 PolarHBondContact ND1-N 3.25Å; I150-L155 HydrophobicContact CG2-CD1 4.41Å; I150-L169 HydrophobicContact CG1-CD1 4.16Å; I150-Y200 WeakPolarHBondContact O-CB 3.33Å; I150-D216 HydrophobicContact CD1-CB 3.62Å; I150-D216 WeakPolarHBondContact CD1-O 3.18Å; I150-V220 HydrophobicContact CD1-CG2 4.25Å; I150-V220 HydrophobicContact CG2-CG2 4.12Å
151K98.1Very high97.7Very high33 Ų3328.2 Ų28.214%0.14315%0.154CC..SBendtrans-163.5162.7-179.857.8-177.3165.9-168.50109.9D149 D153 N154 L155 T197 Y200 S223D149-K151 IonicContact OD1-NZ 2.55Å; D149-K151 WeakPolarHBondContact OD2-CE 3.49Å; D149-K151 IonicContact OD2-NZ 3.62Å; D149-K151 PolarHBondContact OD2-NZ 2.9Å; K151-D153 HydrophobicContact CD-CB 4.26Å; K151-D153 HydrophobicContact CG-CB 4.23Å; K151-D153 PolarHBondContact O-N 3.21Å; K151-D153 VanDerWaalsContact O-N 3.09Å; K151-N154 VanDerWaalsContact CE-ND2 3.29Å; K151-N154 WeakPolarHBondContact CE-ND2 3.43Å; K151-N154 HydrophobicContact CG-CB 4.12Å; K151-N154 PolarHBondContact O-N 3.11Å; K151-L155 WeakPolarHBondContact O-CG 3.33Å; K151-L155 PolarHBondContact O-N 2.92Å; K151-T197 HydrophobicContact CD-CG2 4.22Å; K151-T197 WeakPolarHBondContact CD-OG1 3.31Å; K151-T197 PolarHBondContact NZ-OG1 2.76Å; K151-Y200 HydrophobicContact CB-CD1 4.29Å; K151-Y200 HydrophobicContact CB-CD2 3.29Å; K151-Y200 HydrophobicContact CB-CE1 4.5Å; K151-Y200 HydrophobicContact CB-CE2 3.55Å; K151-Y200 HydrophobicContact CB-CG 3.7Å; K151-Y200 HydrophobicContact CD-CD2 4.19Å; K151-Y200 HydrophobicContact CD-CE2 4.28Å; K151-Y200 HydrophobicContact CG-CD2 4.37Å; K151-S223 WeakPolarHBondContact CA-OG 3.41Å
152P98.3Very high97.6Very high0 Ų029.8 Ų29.80%017%0.168CC..G310 helixtrans-57-25.4179.3-28.939.3000115.1L109 S110 N154 L155 Y200 E226L109-P152 HydrophobicContact CB-CB 4.1Å; L109-P152 PolarHBondContact N-O 3.15Å; S110-P152 PolarHBondContact N-O 2.86Å; S110-P152 VanDerWaalsContact N-O 3.08Å; P152-N154 VanDerWaalsContact C-N 3.32Å; P152-L155 VanDerWaalsContact O-O 3.14Å; P152-Y200 HydrophobicContact CG-CE1 4.27Å; P152-E226 WeakPolarHBondContact CG-OE2 3.21Å
153D96.8Very high97.6Very high68 Ų6829.7 Ų29.736%0.36416%0.163SC..G310 helixtrans-72.8-23174.4-54.4-84.7000113.7T108 S110 K151T108-D153 VanDerWaalsContact CG2-O 3.22Å; T108-D153 WeakPolarHBondContact CG2-O 3.38Å; S110-D153 WeakPolarHBondContact CB-OD1 3.4Å; S110-D153 PolarHBondContact OG-OD1 3.29Å; K151-D153 HydrophobicContact CD-CB 4.26Å; K151-D153 HydrophobicContact CG-CB 4.23Å; K151-D153 PolarHBondContact O-N 3.21Å; K151-D153 VanDerWaalsContact O-N 3.09Å
154N97.7Very high97.6Very high14 Ų1428 Ų288%0.07516%0.155CC..G310 helixtrans-103.311.4178.7-74-10.3000112.2D149 K151 P152 L170D149-N154 PolarHBondContact O-ND2 3.28Å; D149-N154 PolarHBondContact OD2-ND2 2.83Å; K151-N154 VanDerWaalsContact CE-ND2 3.29Å; K151-N154 WeakPolarHBondContact CE-ND2 3.43Å; K151-N154 HydrophobicContact CG-CB 4.12Å; K151-N154 PolarHBondContact O-N 3.11Å; P152-N154 VanDerWaalsContact C-N 3.32Å; N154-L170 PolarHBondContact O-N 2.91Å
155L98.7Very high97.6Very high3 Ų331.6 Ų31.62%0.01617%0.167CC..EExtended strand (participates in β ladder)trans-118.4118.6175.1-65.6167.1000107.4T108 L109 I150 K151 P152 I167 Y168 L169T108-L155 CarbonylContact C-O 3.58Å; T108-L155 VanDerWaalsContact CA-O 3.25Å; T108-L155 WeakPolarHBondContact CA-O 3.46Å; L109-L155 HydrophobicContact CB-CB 4.39Å; L109-L155 HydrophobicContact CD1-CB 3.61Å; L109-L155 HydrophobicContact CD1-CD1 3.98Å; L109-L155 HydrophobicContact CD1-CG 4.43Å; L109-L155 HydrophobicContact CG-CB 3.89Å; L109-L155 PolarHBondContact N-O 3.18Å; I150-L155 HydrophobicContact CG2-CD1 4.41Å; K151-L155 WeakPolarHBondContact O-CG 3.33Å; K151-L155 PolarHBondContact O-N 2.92Å; P152-L155 VanDerWaalsContact O-O 3.14Å; L155-I167 HydrophobicContact CB-CG2 4.12Å; L155-I167 HydrophobicContact CD2-CG2 3.94Å; L155-Y168 CarbonylContact C-O 3.58Å; L155-Y168 WeakPolarHBondContact CA-O 3.37Å; L155-L169 HydrophobicContact CD2-CD1 3.88Å
156A98.5Very high97.6Very high0 Ų031.8 Ų31.80%017%0.171CC..EExtended strand (participates in β ladder)trans-127.3165.3-176.600000112.5M105 R107 I167 Y168 L170M105-A156 HydrophobicContact CB-CB 4.05Å; M105-A156 HydrophobicContact CG-CB 4.48Å; R107-A156 WeakPolarHBondContact O-CA 3.46Å; A156-I167 CarbonylContact O-C 3.54Å; A156-I167 WeakPolarHBondContact O-CA 3.36Å; A156-Y168 PolarHBondContact N-O 3.37Å; A156-Y168 PolarHBondContact O-N 2.87Å; A156-L170 HydrophobicContact CB-CD1 3.55Å; A156-L170 HydrophobicContact CB-CG 4.19Å
157I98.6Very high97.6Very high0 Ų031.8 Ų31.80%017%0.171CC..  trans-108.6174.217362.7168000110.7G106 R107 L109 I112 E161 A164 I167 W304G106-I157 WeakPolarHBondContact CA-O 3.16Å; G106-I157 PolarHBondContact N-O 3.04Å; R107-I157 PolarHBondContact O-N 3.18Å; R107-I157 VanDerWaalsContact O-N 3.11Å; L109-I157 HydrophobicContact CD2-CG2 4.36Å; I112-I157 HydrophobicContact CD1-CD1 3.45Å; I112-I157 VanDerWaalsContact CD1-CD1 3.45Å; I112-I157 HydrophobicContact CD1-CG1 3.79Å; I112-I157 HydrophobicContact CD1-CG2 4.21Å; I157-E161 HydrophobicContact CD1-CB 4.31Å; I157-E161 HydrophobicContact CD1-CG 3.86Å; I157-A164 HydrophobicContact CB-CB 3.98Å; I157-A164 HydrophobicContact CD1-CB 4.04Å; I157-A164 HydrophobicContact CG1-CB 4.35Å; I157-I167 HydrophobicContact CG2-CD1 3.82Å; I157-W304 HydrophobicContact CD1-CD2 4.31Å; I157-W304 HydrophobicContact CD1-CG 4.08Å; I157-W304 HydrophobicContact CG2-CH2 4.19Å; I157-W304 HydrophobicContact CG2-CZ2 3.81Å
158D97Very high97.6Very high65 Ų6533.3 Ų33.335%0.34818%0.177SC..  trans-65159.8172.2-150.9-30.3000112D160 A164 Y168D158-D160 VanDerWaalsContact C-N 3.31Å; D158-D160 PolarHBondContact O-N 3.23Å; D158-A164 HydrophobicContact CB-CB 3.81Å; D158-Y168 HydrophobicContact CB-CE2 4.41Å
159V96.5Very high97.7Very high73 Ų7332.1 Ų32.144%0.44217%0.173SC..SBendtrans-62.2-37.5-176.1179.60000111.9L104 E161L104-V159 HydrophobicContact CB-CG2 4.47Å; L104-V159 HydrophobicContact CD2-CG2 4.4Å; L104-V159 HydrophobicContact CG-CG2 4.12Å; L104-V159 WeakPolarHBondContact O-CG2 3.18Å; V159-E161 PolarHBondContact O-N 3.17Å
160D96.4Very high97.6Very high88 Ų8833.3 Ų33.347%0.47118%0.179SC..  trans-84.688.2174.9-170.6-13.5000110.6D158 A162 T163 A164D158-D160 VanDerWaalsContact C-N 3.31Å; D158-D160 PolarHBondContact O-N 3.23Å; D160-A162 PolarHBondContact O-N 3.26Å; D160-A162 VanDerWaalsContact O-N 3.09Å; D160-A162 WeakPolarHBondContact OD1-CB 3.31Å; D160-A162 PolarHBondContact OD1-N 2.9Å; D160-T163 WeakPolarHBondContact CB-OG1 3.47Å; D160-T163 CarbonylContact O-C 3.45Å; D160-T163 PolarHBondContact O-N 3.34Å; D160-T163 PolarHBondContact O-OG1 3.05Å; D160-T163 PolarHBondContact OD2-OG1 3.01Å; D160-A164 VanDerWaalsContact O-CB 3.3Å; D160-A164 WeakPolarHBondContact O-CB 3.17Å; D160-A164 PolarHBondContact O-N 2.7Å
161E95.8Very high97.4Very high42 Ų4234.9 Ų34.920%0.19619%0.188CC..THydrogen-bonded Turntrans-54.7-28.4178.5-61.9-171-147.600113.1R107 I157 V159 T163 F308R107-E161 WeakPolarHBondContact CD-OE1 3.39Å; R107-E161 IonicContact NH1-OE1 2.74Å; R107-E161 IonicContact NH1-OE2 2.68Å; I157-E161 HydrophobicContact CD1-CB 4.31Å; I157-E161 HydrophobicContact CD1-CG 3.86Å; V159-E161 PolarHBondContact O-N 3.17Å; E161-T163 VanDerWaalsContact C-N 3.26Å; E161-T163 PolarHBondContact O-N 3.35Å; E161-F308 HydrophobicContact CB-CE2 3.75Å; E161-F308 HydrophobicContact CB-CZ 3.9Å
162A96Very high97.3Very high36 Ų3633.5 Ų33.530%0.29818%0.181SC..THydrogen-bonded Turntrans-68.6-29.8-179.400000111.6D160 Q305 F308D160-A162 PolarHBondContact O-N 3.26Å; D160-A162 VanDerWaalsContact O-N 3.09Å; D160-A162 WeakPolarHBondContact OD1-CB 3.31Å; D160-A162 PolarHBondContact OD1-N 2.9Å; A162-Q305 PolarHBondContact O-NE2 3.09Å; A162-F308 HydrophobicContact CB-CB 3.96Å; A162-F308 HydrophobicContact CB-CD1 3.98Å; A162-F308 HydrophobicContact CB-CD2 4.25Å; A162-F308 HydrophobicContact CB-CG 3.81Å
163T96.6Very high97Very high92 Ų9233.9 Ų33.956%0.56419%0.186SC*.THydrogen-bonded Turntrans-112.3-8.6-17958.90000114.1D160 E161 R165D160-T163 WeakPolarHBondContact CB-OG1 3.47Å; D160-T163 CarbonylContact O-C 3.45Å; D160-T163 PolarHBondContact O-N 3.34Å; D160-T163 PolarHBondContact O-OG1 3.05Å; D160-T163 PolarHBondContact OD2-OG1 3.01Å; E161-T163 VanDerWaalsContact C-N 3.26Å; E161-T163 PolarHBondContact O-N 3.35Å; T163-R165 PolarHBondContact O-N 2.93Å
164A97.9Very high96.9Very high2 Ų231.3 Ų31.32%0.01717%0.172CC..  trans-65122.2-17600000112.3I157 D158 D160 W304I157-A164 HydrophobicContact CB-CB 3.98Å; I157-A164 HydrophobicContact CD1-CB 4.04Å; I157-A164 HydrophobicContact CG1-CB 4.35Å; D158-A164 HydrophobicContact CB-CB 3.81Å; D160-A164 VanDerWaalsContact O-CB 3.3Å; D160-A164 WeakPolarHBondContact O-CB 3.17Å; D160-A164 PolarHBondContact O-N 2.7Å; A164-W304 PolarHBondContact O-NE1 3.24Å
165R97.9Very high96.8Very high80 Ų8031.1 Ų31.130%0.30217%0.172SC..  trans-128.9-9.5178.3-61.1-172.171.476.63.6114.1Q132 T163 H298 D299 D300 Y302Q132-R165 PolarHBondContact NE2-O 2.98Å; Q132-R165 PolarHBondContact OE1-O 3.24Å; T163-R165 PolarHBondContact O-N 2.93Å; R165-H298 PolarHBondContact NH2-O 2.89Å; R165-D299 PolarHBondContact NH1-O 3.36Å; R165-D299 VanDerWaalsContact NH2-C 3.29Å; R165-D299 PolarHBondContact NH2-O 3.34Å; R165-D300 PolarHBondContact NH1-O 3.07Å; R165-D300 PolarHBondContact NH2-O 3.03Å; R165-Y302 HydrophobicContact CB-CE2 4.1Å; R165-Y302 HydrophobicContact CG-CD2 4.5Å; R165-Y302 HydrophobicContact CG-CE2 4.4Å
166T98.5Very high96.7Very high33 Ų3334 Ų3420%0.20218%0.183CC..  trans-98.1134.7-179-54.70000110.1R83 Y168R83-T166 HydrophobicContact CG-CG2 4.46Å; R83-T166 WeakPolarHBondContact O-CG2 3.42Å; T166-Y168 HydrophobicContact CG2-CD2 4.21Å; T166-Y168 HydrophobicContact CG2-CE1 4.08Å; T166-Y168 HydrophobicContact CG2-CE2 3.73Å
167I98.8Very high96.6Very high1 Ų137 Ų371%0.00519%0.194CC..  trans-93.2127.5168.1-54.2-54.1000108.8H84 L109 I129 Q132 L155 A156 I157 W304H84-I167 WeakPolarHBondContact CB-O 3.44Å; H84-I167 PolarHBondContact ND1-O 3.27Å; L109-I167 HydrophobicContact CD1-CG2 4.47Å; L109-I167 HydrophobicContact CD2-CD1 4.05Å; I129-I167 HydrophobicContact CG1-CD1 4.16Å; I129-I167 HydrophobicContact CG1-CG1 4.35Å; I129-I167 HydrophobicContact CG2-CG1 4.43Å; Q132-I167 HydrophobicContact CB-CB 4.05Å; Q132-I167 HydrophobicContact CB-CG1 4.04Å; L155-I167 HydrophobicContact CB-CG2 4.12Å; L155-I167 HydrophobicContact CD2-CG2 3.94Å; A156-I167 CarbonylContact O-C 3.54Å; A156-I167 WeakPolarHBondContact O-CA 3.36Å; I157-I167 HydrophobicContact CG2-CD1 3.82Å; I167-W304 HydrophobicContact CD1-CH2 3.99Å; I167-W304 HydrophobicContact CD1-CZ2 4.41Å
168Y98.7Very high96.5Very high34 Ų3438 Ų3813%0.13320%0.198CC..EExtended strand (participates in β ladder)trans-107.5128.4177.9-64.4-90.1000110.2H84 M105 L155 A156 D158 T166H84-Y168 CarbonylContact O-C 3.59Å; H84-Y168 WeakPolarHBondContact O-CA 3.37Å; M105-Y168 HydrophobicContact CE-CD1 4.48Å; M105-Y168 HydrophobicContact CE-CG 4.49Å; M105-Y168 HydrophobicContact SD-CD1 3.95Å; M105-Y168 HydrophobicContact SD-CD2 3.55Å; M105-Y168 VanDerWaalsContact SD-CD2 3.55Å; M105-Y168 HydrophobicContact SD-CE1 4.48Å; M105-Y168 HydrophobicContact SD-CE2 4.13Å; M105-Y168 HydrophobicContact SD-CG 3.45Å; L155-Y168 CarbonylContact C-O 3.58Å; L155-Y168 WeakPolarHBondContact CA-O 3.37Å; A156-Y168 PolarHBondContact N-O 3.37Å; A156-Y168 PolarHBondContact O-N 2.87Å; D158-Y168 HydrophobicContact CB-CE2 4.41Å; T166-Y168 HydrophobicContact CG2-CD2 4.21Å; T166-Y168 HydrophobicContact CG2-CE1 4.08Å; T166-Y168 HydrophobicContact CG2-CE2 3.73Å
169L98.6Very high96.6Very high3 Ų335.6 Ų35.62%0.01619%0.186CC..EExtended strand (participates in β ladder)trans-84.8125.6172-177.460.7000109.8H84 A136 V140 H147 I150 L155 F172H84-L169 PolarHBondContact O-N 3.07Å; A136-L169 HydrophobicContact CB-CB 4.26Å; A136-L169 HydrophobicContact CB-CD2 4.45Å; V140-L169 HydrophobicContact CG2-CD2 3.88Å; H147-L169 HydrophobicContact CB-CD2 4.45Å; I150-L169 HydrophobicContact CG1-CD1 4.16Å; L155-L169 HydrophobicContact CD2-CD1 3.88Å; L169-F172 HydrophobicContact CD2-CE1 4.29Å; L169-F172 HydrophobicContact CG-CE1 4.39Å; L169-F172 HydrophobicContact CG-CZ 4.45Å
170L96.4Very high96.6Very high30 Ų3034 Ų3416%0.15718%0.176CC..  trans-116.6163.8-174.5-50.1-174.4000111.7C86 M105 H147 N154 A156C86-L170 VanDerWaalsContact SG-CD2 3.54Å; M105-L170 HydrophobicContact CG-CD1 4.36Å; M105-L170 HydrophobicContact CG-CD2 3.81Å; H147-L170 PolarHBondContact CE1-O 3.39Å; H147-L170 PolarHBondContact NE2-O 3.17Å; N154-L170 PolarHBondContact O-N 2.91Å; A156-L170 HydrophobicContact CB-CD1 3.55Å; A156-L170 HydrophobicContact CB-CG 4.19Å
171D93.9Very high96.4Very high36 Ų3636.9 Ų36.919%0.19319%0.191CC..  trans6179.4171.4-162.49.1000115.4F40 K58 H147 G173F40-D171 WeakPolarHBondContact CD2-OD2 3.41Å; K58-D171 IonicContact NZ-OD1 3.65Å; K58-D171 PolarHBondContact NZ-OD1 2.96Å; H147-D171 PolarHBondContact CE1-O 3.47Å; H147-D171 PolarHBondContact NE2-O 3.18Å; D171-G173 PolarHBondContact O-N 3.49Å; D171-G173 PolarHBondContact OD1-N 2.95Å
172F95.7Very high96.3Very high3 Ų341.6 Ų41.61%0.01322%0.217CC..G310 helixtrans-84.910.6177.2-60.5-78000112.9V71 D72 L75 L76 L79 T85 V140 H147 L169 L174 A175V71-F172 WeakPolarHBondContact CG1-O 3.47Å; D72-F172 PolarHBondContact OD1-N 2.86Å; L75-F172 HydrophobicContact CB-CB 4.2Å; L75-F172 HydrophobicContact CB-CD1 4.26Å; L75-F172 HydrophobicContact CB-CG 4.06Å; L75-F172 HydrophobicContact CD2-CB 4.01Å; L75-F172 HydrophobicContact CD2-CD1 3.49Å; L75-F172 VanDerWaalsContact CD2-CD1 3.49Å; L75-F172 HydrophobicContact CD2-CE1 4.26Å; L75-F172 HydrophobicContact CD2-CG 3.95Å; L76-F172 HydrophobicContact CD2-CD2 3.95Å; L76-F172 HydrophobicContact CD2-CE2 3.54Å; L76-F172 HydrophobicContact CG-CD2 4.09Å; L76-F172 HydrophobicContact CG-CE2 4.19Å; L79-F172 HydrophobicContact CD1-CE1 4.07Å; L79-F172 HydrophobicContact CD1-CZ 4.05Å; T85-F172 HydrophobicContact CG2-CZ 4.08Å; V140-F172 HydrophobicContact CG2-CE1 3.81Å; H147-F172 AromaticContact CD2-CD1 3.53Å; H147-F172 AromaticContact CD2-CE1 3.64Å; H147-F172 AromaticContact NE2-CD1 3.94Å; L169-F172 HydrophobicContact CD2-CE1 4.29Å; L169-F172 HydrophobicContact CG-CE1 4.39Å; L169-F172 HydrophobicContact CG-CZ 4.45Å; F172-L174 PolarHBondContact O-N 2.7Å; F172-A175 HydrophobicContact CB-CB 4.18Å; F172-A175 WeakPolarHBondContact O-CB 3.3Å; F172-A175 PolarHBondContact O-N 3.34Å
173G91.9Very high96.2Very high9 Ų942.3 Ų42.39%0.09323%0.228CC..G310 helixtrans-60-24-174.900000113.8D171D171-G173 PolarHBondContact O-N 3.49Å; D171-G173 PolarHBondContact OD1-N 2.95Å
174L94.3Very high96.3Very high14 Ų1443.9 Ų43.97%0.07323%0.229CC..G310 helixtrans-98.11.8174-66.1-176.7000113.9F40 H147 R148 D149 F172 R195F40-L174 HydrophobicContact CE1-CD2 3.72Å; F40-L174 HydrophobicContact CE1-CG 3.98Å; F40-L174 HydrophobicContact CE2-CD1 4.47Å; F40-L174 HydrophobicContact CE2-CG 4.3Å; F40-L174 HydrophobicContact CZ-CD1 3.77Å; F40-L174 HydrophobicContact CZ-CD2 3.69Å; F40-L174 HydrophobicContact CZ-CG 3.49Å; F40-L174 VanDerWaalsContact CZ-CG 3.49Å; H147-L174 CarbonylContact O-C 3.58Å; R148-L174 PolarHBondContact NE-O 3Å; R148-L174 PolarHBondContact NH2-O 3.27Å; D149-L174 HydrophobicContact CB-CB 4.4Å; D149-L174 HydrophobicContact CB-CD1 3.81Å; F172-L174 PolarHBondContact O-N 2.7Å; L174-R195 HydrophobicContact CD2-CB 4.33Å
175A96.4Very high96.2Very high9 Ų946.3 Ų46.37%0.07424%0.241CC..  trans-62.5154.3-176.900000112.5V71 L75 L146 H147 F172V71-A175 HydrophobicContact CG1-CB 3.87Å; L75-A175 HydrophobicContact CD1-CB 4.17Å; L75-A175 HydrophobicContact CD2-CB 3.43Å; L75-A175 VanDerWaalsContact CD2-CB 3.43Å; L75-A175 HydrophobicContact CG-CB 4.46Å; L146-A175 CarbonylContact O-C 3.56Å; L146-A175 WeakPolarHBondContact O-CA 2.9Å; L146-A175 VanDerWaalsContact O-CB 3.24Å; L146-A175 WeakPolarHBondContact O-CB 3.15Å; H147-A175 WeakPolarHBondContact O-CA 3.14Å; H147-A175 PolarHBondContact O-N 3.2Å; F172-A175 HydrophobicContact CB-CB 4.18Å; F172-A175 WeakPolarHBondContact O-CB 3.3Å; F172-A175 PolarHBondContact O-N 3.34Å
176R95.9Very high96.2Very high64 Ų6448 Ų4824%0.24225%0.248CC..EExtended strand (participates in β ladder)trans-145131.7-179.3-179.8173.8-175.674.85.4111.9Y145 L146 Y178 R189 E210Y145-R176 CarbonylContact C-O 3.59Å; Y145-R176 WeakPolarHBondContact CA-O 3.37Å; Y145-R176 VanDerWaalsContact CD1-C 3.49Å; L146-R176 PolarHBondContact N-O 3.14Å; L146-R176 PolarHBondContact O-N 3.14Å; R176-Y178 PolarHBondContact O-N 3.35Å; R176-R189 VanDerWaalsContact NE-NH2 3.13Å; R176-E210 IonicContact NE-OE1 3.43Å; R176-E210 PolarHBondContact NE-OE1 2.67Å
177R96.9Very high96.1Very high63 Ų6355.5 Ų55.524%0.23828%0.278CS..EExtended strand (participates in β ladder)trans-65.6117.8171.8-161.6-173.8174.4149.310.4110.6G144 Y145 V179 T180 L181 R186G144-R177 CarbonylContact O-C 3.55Å; G144-R177 WeakPolarHBondContact O-CA 3.27Å; G144-R177 VanDerWaalsContact O-CG 3.3Å; G144-R177 WeakPolarHBondContact O-CG 3.29Å; Y145-R177 HydrophobicContact CD1-CB 3.91Å; Y145-R177 VanDerWaalsContact CD1-N 3.25Å; Y145-R177 HydrophobicContact CE1-CB 3.57Å; Y145-R177 HydrophobicContact CE1-CG 4.19Å; Y145-R177 HydrophobicContact CE2-CB 4.44Å; Y145-R177 HydrophobicContact CE2-CG 4.18Å; Y145-R177 HydrophobicContact CG-CB 4.47Å; R177-V179 VanDerWaalsContact CD-O 3.26Å; R177-V179 WeakPolarHBondContact CD-O 3.38Å; R177-V179 HydrophobicContact CG-CG2 4.32Å; R177-V179 VanDerWaalsContact CG-O 3.3Å; R177-V179 WeakPolarHBondContact CG-O 3.47Å; R177-V179 PolarHBondContact NE-O 3.05Å; R177-T180 PolarHBondContact NH2-O 3.33Å; R177-L181 VanDerWaalsContact NH2-CA 3.29Å; R177-R186 WeakPolarHBondContact O-CD 3.45Å
178Y97.5Very high95.9Very high20 Ų2058.6 Ų58.68%0.07830%0.298CS..  trans-96.1-10.9177.573-85.9000113.2H141 G144 Y145 L146 R176 I185 R186 R213H141-Y178 PolarHBondContact O-OH 2.99Å; G144-Y178 VanDerWaalsContact C-CD1 3.42Å; G144-Y178 VanDerWaalsContact O-CD1 3.31Å; G144-Y178 WeakPolarHBondContact O-CD1 3.21Å; G144-Y178 PolarHBondContact O-N 3.02Å; Y145-Y178 WeakPolarHBondContact O-CE1 3.4Å; L146-Y178 HydrophobicContact CD2-CD1 3.63Å; L146-Y178 HydrophobicContact CD2-CE1 4.2Å; L146-Y178 HydrophobicContact CD2-CG 4.03Å; L146-Y178 HydrophobicContact CG-CD1 3.81Å; L146-Y178 HydrophobicContact CG-CG 4.13Å; R176-Y178 PolarHBondContact O-N 3.35Å; Y178-I185 HydrophobicContact CD2-CD1 3.63Å; Y178-I185 HydrophobicContact CE2-CD1 3.51Å; Y178-R186 WeakPolarHBondContact O-CB 3.32Å; Y178-R186 WeakPolarHBondContact O-CG 3.37Å; Y178-R186 PolarHBondContact O-N 3.5Å; Y178-R213 HydrophobicContact CD2-CG 4.4Å; Y178-R213 HydrophobicContact CE1-CG 4.22Å; Y178-R213 HydrophobicContact CE2-CG 4Å; Y178-R213 PolarHBondContact OH-NH1 2.96Å
179V97.9Very high95.7Very high16 Ų1660.9 Ų60.910%0.09731%0.306CS..BIsolated β-bridgetrans-106.5156.4174.7-58.60000112.9R177 E184 I185R177-V179 VanDerWaalsContact CD-O 3.26Å; R177-V179 WeakPolarHBondContact CD-O 3.38Å; R177-V179 HydrophobicContact CG-CG2 4.32Å; R177-V179 VanDerWaalsContact CG-O 3.3Å; R177-V179 WeakPolarHBondContact CG-O 3.47Å; R177-V179 PolarHBondContact NE-O 3.05Å; V179-E184 CarbonylContact C-O 3.58Å; V179-E184 WeakPolarHBondContact CA-O 3.41Å; V179-I185 HydrophobicContact CG1-CD1 4.21Å
180T96.8Very high95.3Very high38 Ų3869.5 Ų69.523%0.23335%0.346CS..  trans-72.4175.9168.267.90000110.8R177 N182 G183 E184 R186R177-T180 PolarHBondContact NH2-O 3.33Å; T180-N182 PolarHBondContact O-N 2.8Å; T180-N182 PolarHBondContact OG1-N 2.66Å; T180-G183 PolarHBondContact O-N 2.89Å; T180-E184 HydrophobicContact CG2-CB 4.24Å; T180-E184 PolarHBondContact N-O 2.92Å; T180-E184 PolarHBondContact OG1-N 2.77Å; T180-R186 HydrophobicContact CG2-CG 4.1Å
181L92.4Very high94.9Very high149 Ų14973.5 Ų73.578%0.7838%0.377SS*.THydrogen-bonded Turntrans-60.2-24.8170.4-75.9165.9000112.8R177R177-L181 VanDerWaalsContact NH2-CA 3.29Å
182N94.5Very high94.7Very high141 Ų14172.5 Ų72.575%0.75437%0.372SS*.THydrogen-bonded Turntrans-92.95.6-179.6-56.1-14.1000112.8T180T180-N182 PolarHBondContact O-N 2.8Å; T180-N182 PolarHBondContact OG1-N 2.66Å
183G93.6Very high94.5Very high51 Ų5174.3 Ų74.353%0.52639%0.392SS..SBendtrans84.61.7178.600000115.5T180T180-G183 PolarHBondContact O-N 2.89Å
184E96.9Very high94.6Very high126 Ų12677.3 Ų77.359%0.58940%0.402SS*.PPolyproline II helixtrans-77.7143.5179-57.7176.1141.700111.6V179 T180 R186V179-E184 CarbonylContact C-O 3.58Å; V179-E184 WeakPolarHBondContact CA-O 3.41Å; T180-E184 HydrophobicContact CG2-CB 4.24Å; T180-E184 PolarHBondContact N-O 2.92Å; T180-E184 PolarHBondContact OG1-N 2.77Å; E184-R186 PolarHBondContact O-N 3.12Å
185I97.5Very high94.3Very high53 Ų5383.1 Ų83.127%0.27242%0.423SS..BIsolated β-bridgetrans-62.3127.6174.3-55.1-64.8000109.8Y178 V179 Y274 E275Y178-I185 HydrophobicContact CD2-CD1 3.63Å; Y178-I185 HydrophobicContact CE2-CD1 3.51Å; V179-I185 HydrophobicContact CG1-CD1 4.21Å; I185-Y274 HydrophobicContact CG2-CE1 3.8Å; I185-E275 HydrophobicContact CG1-CB 4.47Å; I185-E275 HydrophobicContact CG2-CB 4.31Å; I185-E275 HydrophobicContact CG2-CG 4.1Å
186R97.4Very high94.1Very high114 Ų11483.8 Ų83.843%0.4343%0.431SS..PPolyproline II helixtrans-68.9137.7176.9-65.3179.975.5118.35.3109.8R177 Y178 T180 E184 Y274R177-R186 WeakPolarHBondContact O-CD 3.45Å; Y178-R186 WeakPolarHBondContact O-CB 3.32Å; Y178-R186 WeakPolarHBondContact O-CG 3.37Å; Y178-R186 PolarHBondContact O-N 3.5Å; T180-R186 HydrophobicContact CG2-CG 4.1Å; E184-R186 PolarHBondContact O-N 3.12Å; R186-Y274 VanDerWaalsContact O-CE1 3.28Å; R186-Y274 WeakPolarHBondContact O-CE1 3.23Å; R186-Y274 PolarHBondContact O-OH 3.4Å
187K95.5Very high94.1Very high192 Ų19282.4 Ų82.484%0.83543%0.429SS*.PPolyproline II helixtrans-59.4142.5171.7-66.7-175.5178.1-178.50111.2R189K187-R189 PolarHBondContact O-N 2.89Å
188P95Very high94.1Very high65 Ų6580.2 Ų80.242%0.42242%0.423SS..PPolyproline II helixtrans-54.6133.8174.6-27.635.5000112.5E210 Y274P188-E210 HydrophobicContact CB-CB 3.85Å; P188-E210 HydrophobicContact CB-CG 4.45Å; P188-Y274 HydrophobicContact CG-CD1 3.72Å; P188-Y274 HydrophobicContact CG-CE1 3.62Å; P188-Y274 HydrophobicContact CG-CG 4.24Å
189R94Very high94.1Very high82 Ų8281.4 Ų81.431%0.30943%0.431SS..PPolyproline II helixtrans-69.1147.2167.2-69.2174.5-71155.52.9109.9R176 K187 P192 E210R176-R189 VanDerWaalsContact NE-NH2 3.13Å; K187-R189 PolarHBondContact O-N 2.89Å; R189-P192 HydrophobicContact CB-CB 4.2Å; R189-P192 WeakPolarHBondContact O-CD 3.42Å; R189-E210 WeakPolarHBondContact CB-OE2 3.47Å; R189-E210 VanDerWaalsContact CG-OE2 3.27Å; R189-E210 WeakPolarHBondContact CG-OE2 3.37Å; R189-E210 IonicContact CZ-OE1 3.56Å; R189-E210 IonicContact CZ-OE2 3.52Å; R189-E210 PolarHBondContact N-OE2 2.74Å; R189-E210 VanDerWaalsContact N-OE2 3.13Å; R189-E210 IonicContact NE-OE1 3.51Å; R189-E210 IonicContact NE-OE2 2.72Å; R189-E210 PolarHBondContact NE-OE2 2.83Å; R189-E210 IonicContact NH2-OE1 2.75Å; R189-E210 PolarHBondContact NH2-OE1 2.89Å; R189-E210 IonicContact NH2-OE2 3.47Å; R189-E210 PolarHBondContact NH2-OE2 3.45Å
190Q90.6Very high94.1Very high185 Ų18581.2 Ų81.286%0.86443%0.428SS*.SBendtrans-67.3-34.8177.5-69.5-64.7-22.800113.1
191S89.4Confident94.1Very high114 Ų11479.7 Ų79.780%0.79742%0.419SS*.  trans-142.872.6-178.8-52.60000110.9G193S191-G193 VanDerWaalsContact C-N 3.29Å
192P88.2Confident94.4Very high15 Ų1572.7 Ų72.710%0.09738%0.382CS..  trans-72.7-24.9-177.925.5-28.2000113R189 G208 E210R189-P192 HydrophobicContact CB-CB 4.2Å; R189-P192 WeakPolarHBondContact O-CD 3.42Å; P192-G208 WeakPolarHBondContact CD-O 3.19Å; P192-G208 WeakPolarHBondContact CG-O 3.16Å; P192-E210 HydrophobicContact CG-CB 4.29Å
193G92.1Very high94.5Very high41 Ų4167.3 Ų67.342%0.42336%0.355SS..  trans72.1161.7-172.700000112.1S191S191-G193 VanDerWaalsContact C-N 3.29Å
194F93Very high94.6Very high71 Ų7167.6 Ų67.631%0.31135%0.346SS..  trans-79.8138.6173.9175-122.7000111G196 T198 S201 A205 N206F194-G196 VanDerWaalsContact CZ-O 3.31Å; F194-G196 WeakPolarHBondContact CZ-O 3.4Å; F194-T198 WeakPolarHBondContact CE1-OG1 3.35Å; F194-S201 WeakPolarHBondContact CE2-OG 3.43Å; F194-A205 HydrophobicContact CD2-CB 4.46Å; F194-A205 WeakPolarHBondContact CD2-O 3.5Å; F194-A205 HydrophobicContact CE2-CB 4.45Å; F194-N206 VanDerWaalsContact CE2-OD1 3.31Å; F194-N206 WeakPolarHBondContact CE2-OD1 3.39Å; F194-N206 WeakPolarHBondContact CZ-OD1 3.49Å
195R89.1Confident94.6Very high137 Ų13762.2 Ų62.252%0.51732%0.323SS..  trans-144.7141.6166-61.6-169.2-174.9-162.4-1.8107.8L174L174-R195 HydrophobicContact CD2-CB 4.33Å
196G92.7Very high94.5Very high22 Ų2260.7 Ų60.723%0.22732%0.316CS..SBendtrans123.6-171.3-176.600000110.7D149 F194D149-G196 WeakPolarHBondContact OD1-CA 3.41Å; F194-G196 VanDerWaalsContact CZ-O 3.31Å; F194-G196 WeakPolarHBondContact CZ-O 3.4Å
197T95.1Very high94.4Very high35 Ų3559.9 Ų59.922%0.21532%0.315CS..  trans-99120.5-179.9-55.20000110.4D149 K151 L199 Y200 S201D149-T197 WeakPolarHBondContact OD1-CB 3.36Å; D149-T197 PolarHBondContact OD1-N 3.4Å; D149-T197 PolarHBondContact OD1-OG1 3.01Å; K151-T197 HydrophobicContact CD-CG2 4.22Å; K151-T197 WeakPolarHBondContact CD-OG1 3.31Å; K151-T197 PolarHBondContact NZ-OG1 2.76Å; T197-L199 PolarHBondContact O-N 3.37Å; T197-L199 VanDerWaalsContact O-N 3.14Å; T197-Y200 HydrophobicContact CG2-CD2 3.67Å; T197-Y200 HydrophobicContact CG2-CE2 4.03Å; T197-Y200 PolarHBondContact O-N 3.39Å; T197-Y200 VanDerWaalsContact O-N 3.09Å; T197-S201 PolarHBondContact N-OG 3.45Å; T197-S201 WeakPolarHBondContact O-CB 3.44Å; T197-S201 PolarHBondContact O-N 3.39Å; T197-S201 PolarHBondContact O-OG 2.93Å
198T96.4Very high94.4Very high17 Ų1751.5 Ų51.510%0.10428%0.284CS..THydrogen-bonded Turntrans-55.7-36.4-170.6-53.50000113.6F194 Y200 N206 E239 I242 K246F194-T198 WeakPolarHBondContact CE1-OG1 3.35Å; T198-Y200 PolarHBondContact O-N 2.95Å; T198-N206 PolarHBondContact O-ND2 3.32Å; T198-E239 WeakPolarHBondContact CB-OE1 3.07Å; T198-E239 HydrophobicContact CG2-CG 3.79Å; T198-E239 PolarHBondContact OG1-OE1 3.26Å; T198-I242 HydrophobicContact CG2-CB 4.38Å; T198-I242 HydrophobicContact CG2-CD1 4.06Å; T198-I242 HydrophobicContact CG2-CG2 4.25Å; T198-K246 PolarHBondContact O-NZ 2.82Å
199L97.4Very high94.5Very high46 Ų4654.5 Ų54.524%0.24129%0.29CS..THydrogen-bonded Turntrans-60.6-42.3179-62.9-179000112.7T197 L232 W234 I242 K246T197-L199 PolarHBondContact O-N 3.37Å; T197-L199 VanDerWaalsContact O-N 3.14Å; L199-L232 HydrophobicContact CB-CD1 4.49Å; L199-W234 PolarHBondContact O-NE1 2.8Å; L199-W234 VanDerWaalsContact O-NE1 3.15Å; L199-I242 HydrophobicContact CD2-CD1 3.93Å; L199-K246 WeakPolarHBondContact O-CE 3.28Å; L199-K246 PolarHBondContact O-NZ 3.1Å
200Y98.2Very high94.6Very high12 Ų1251.4 Ų51.45%0.04728%0.279CS..THydrogen-bonded Turntrans-101.6-15-174.1-51.6-75.5000113.4I150 K151 P152 T197 T198 S219 Y222 E226 L232I150-Y200 WeakPolarHBondContact O-CB 3.33Å; K151-Y200 HydrophobicContact CB-CD1 4.29Å; K151-Y200 HydrophobicContact CB-CD2 3.29Å; K151-Y200 HydrophobicContact CB-CE1 4.5Å; K151-Y200 HydrophobicContact CB-CE2 3.55Å; K151-Y200 HydrophobicContact CB-CG 3.7Å; K151-Y200 HydrophobicContact CD-CD2 4.19Å; K151-Y200 HydrophobicContact CD-CE2 4.28Å; K151-Y200 HydrophobicContact CG-CD2 4.37Å; P152-Y200 HydrophobicContact CG-CE1 4.27Å; T197-Y200 HydrophobicContact CG2-CD2 3.67Å; T197-Y200 HydrophobicContact CG2-CE2 4.03Å; T197-Y200 PolarHBondContact O-N 3.39Å; T197-Y200 VanDerWaalsContact O-N 3.09Å; T198-Y200 PolarHBondContact O-N 2.95Å; Y200-S219 WeakPolarHBondContact O-CA 3.46Å; Y200-S219 WeakPolarHBondContact O-CB 3.43Å; Y200-S219 PolarHBondContact O-OG 3.25Å; Y200-S219 VanDerWaalsContact O-OG 3.12Å; Y200-Y222 VanDerWaalsContact O-CD2 3.31Å; Y200-Y222 WeakPolarHBondContact O-CD2 3.39Å; Y200-E226 WeakPolarHBondContact CE1-OE2 3.49Å; Y200-E226 VanDerWaalsContact OH-CD 3.31Å; Y200-E226 PolarHBondContact OH-OE2 3.39Å; Y200-L232 HydrophobicContact CD1-CD1 4.21Å; Y200-L232 HydrophobicContact CE1-CD1 4.12Å
201S97.9Very high94.9Very high5 Ų543.1 Ų43.14%0.03524%0.242CC..SBendtrans-70.8147-179.7-62.80000111.8F194 T197 N206 K246F194-S201 WeakPolarHBondContact CE2-OG 3.43Å; T197-S201 PolarHBondContact N-OG 3.45Å; T197-S201 WeakPolarHBondContact O-CB 3.44Å; T197-S201 PolarHBondContact O-N 3.39Å; T197-S201 PolarHBondContact O-OG 2.93Å; S201-N206 WeakPolarHBondContact CB-OD1 3.24Å; S201-N206 PolarHBondContact O-ND2 2.51Å; S201-K246 PolarHBondContact O-NZ 3.45Å
202S97.6Very high95.3Very high2 Ų237.8 Ų37.81%0.01421%0.205CC..  trans-61.9163.3173.577.80000112.1T204 A205 N206 D215S202-T204 VanDerWaalsContact C-N 3.26Å; S202-T204 PolarHBondContact O-N 3.26Å; S202-T204 PolarHBondContact OG-N 3.38Å; S202-A205 PolarHBondContact O-N 3.15Å; S202-A205 WeakPolarHBondContact OG-CB 3.5Å; S202-A205 PolarHBondContact OG-N 3.47Å; S202-N206 WeakPolarHBondContact O-CB 3.29Å; S202-N206 PolarHBondContact O-N 3.4Å; S202-D215 WeakPolarHBondContact CB-OD1 3.43Å; S202-D215 PolarHBondContact OG-OD1 2.83Å
203V97.1Very high95.7Very high29 Ų2938 Ų3818%0.17620%0.204CC..Hα-helixtrans-57.8-41.7171.8171.30000111N206 K207 V243 K246 E247V203-N206 PolarHBondContact O-N 3.02Å; V203-K207 HydrophobicContact CG1-CD 4.11Å; V203-K207 HydrophobicContact CG1-CG 4.46Å; V203-K207 WeakPolarHBondContact O-CB 3.38Å; V203-K207 WeakPolarHBondContact O-CG 3.4Å; V203-K207 PolarHBondContact O-N 3.33Å; V203-V243 HydrophobicContact CG1-CG1 4.2Å; V203-K246 HydrophobicContact CG2-CB 3.6Å; V203-K246 HydrophobicContact CG2-CD 4.49Å; V203-E247 HydrophobicContact CB-CG 4.28Å; V203-E247 HydrophobicContact CG1-CG 3.45Å; V203-E247 VanDerWaalsContact CG1-CG 3.45Å; V203-E247 WeakPolarHBondContact CG1-OE1 3.16Å; V203-E247 HydrophobicContact CG2-CG 3.81Å
204T96.4Very high96.1Very high56 Ų5636.5 Ų36.534%0.34419%0.187SC..Hα-helixtrans-58.7-49.1178.4-59.20000111.2S202 K207 K209 D215S202-T204 VanDerWaalsContact C-N 3.26Å; S202-T204 PolarHBondContact O-N 3.26Å; S202-T204 PolarHBondContact OG-N 3.38Å; T204-K207 PolarHBondContact O-N 3.24Å; T204-K209 HydrophobicContact CG2-CB 3.75Å; T204-K209 HydrophobicContact CG2-CD 4.41Å; T204-K209 WeakPolarHBondContact O-CB 3.49Å; T204-K209 PolarHBondContact O-N 3.31Å; T204-K209 VanDerWaalsContact O-N 3.15Å; T204-D215 WeakPolarHBondContact CB-OD1 3.49Å
205A96.3Very high96.3Very high13 Ų1333.5 Ų33.511%0.10717%0.174CC..Hα-helixtrans-63.5-47.9177.900000111.4F194 S202 K207 G208F194-A205 HydrophobicContact CD2-CB 4.46Å; F194-A205 WeakPolarHBondContact CD2-O 3.5Å; F194-A205 HydrophobicContact CE2-CB 4.45Å; S202-A205 PolarHBondContact O-N 3.15Å; S202-A205 WeakPolarHBondContact OG-CB 3.5Å; S202-A205 PolarHBondContact OG-N 3.47Å; A205-K207 PolarHBondContact O-N 3.2Å; A205-G208 WeakPolarHBondContact O-CA 3.19Å; A205-G208 PolarHBondContact O-N 2.81Å
206N96.1Very high96.8Very high21 Ų2127.1 Ų27.111%0.11215%0.15CC..Hα-helixtrans-60.6-32.3178.9-78.7-23000113F194 T198 S201 S202 V203 G208 V243F194-N206 VanDerWaalsContact CE2-OD1 3.31Å; F194-N206 WeakPolarHBondContact CE2-OD1 3.39Å; F194-N206 WeakPolarHBondContact CZ-OD1 3.49Å; T198-N206 PolarHBondContact O-ND2 3.32Å; S201-N206 WeakPolarHBondContact CB-OD1 3.24Å; S201-N206 PolarHBondContact O-ND2 2.51Å; S202-N206 WeakPolarHBondContact O-CB 3.29Å; S202-N206 PolarHBondContact O-N 3.4Å; V203-N206 PolarHBondContact O-N 3.02Å; N206-G208 PolarHBondContact O-N 3.39Å; N206-V243 HydrophobicContact CB-CG2 3.6Å
207K95.4Very high97.1Very high97 Ų9726.2 Ų26.242%0.42214%0.14SC..THydrogen-bonded Turntrans-754.7172.5-72.7-173.3172.8-1730113.7V203 T204 A205 K209 V243 E247V203-K207 HydrophobicContact CG1-CD 4.11Å; V203-K207 HydrophobicContact CG1-CG 4.46Å; V203-K207 WeakPolarHBondContact O-CB 3.38Å; V203-K207 WeakPolarHBondContact O-CG 3.4Å; V203-K207 PolarHBondContact O-N 3.33Å; T204-K207 PolarHBondContact O-N 3.24Å; A205-K207 PolarHBondContact O-N 3.2Å; K207-K209 HydrophobicContact CB-CG 4.33Å; K207-K209 PolarHBondContact O-N 3.38Å; K207-V243 HydrophobicContact CD-CG1 4.46Å; K207-V243 HydrophobicContact CG-CG1 3.94Å; K207-E247 VanDerWaalsContact CE-OE1 3.28Å; K207-E247 WeakPolarHBondContact CE-OE1 3.32Å; K207-E247 VanDerWaalsContact CE-OE2 3.26Å; K207-E247 WeakPolarHBondContact CE-OE2 3.27Å; K207-E247 IonicContact NZ-OE1 3.72Å; K207-E247 PolarHBondContact NZ-OE1 3.5Å; K207-E247 IonicContact NZ-OE2 3.62Å; K207-E247 PolarHBondContact NZ-OE2 3.06Å
208G95Very high97.3Very high17 Ų1726.2 Ų26.218%0.17514%0.136CC..THydrogen-bonded Turntrans6526.618000000113.3P192 A205 N206P192-G208 WeakPolarHBondContact CD-O 3.19Å; P192-G208 WeakPolarHBondContact CG-O 3.16Å; A205-G208 WeakPolarHBondContact O-CA 3.19Å; A205-G208 PolarHBondContact O-N 2.81Å; N206-G208 PolarHBondContact O-N 3.39Å
209K95.9Very high97.4Very high128 Ų12825.6 Ų25.656%0.55713%0.133SC*.PPolyproline II helixtrans-85.8167.1172.1-62.1-177.3178.5-179.60110.3T204 K207 A211T204-K209 HydrophobicContact CG2-CB 3.75Å; T204-K209 HydrophobicContact CG2-CD 4.41Å; T204-K209 WeakPolarHBondContact O-CB 3.49Å; T204-K209 PolarHBondContact O-N 3.31Å; T204-K209 VanDerWaalsContact O-N 3.15Å; K207-K209 HydrophobicContact CB-CG 4.33Å; K207-K209 PolarHBondContact O-N 3.38Å; K209-A211 PolarHBondContact O-N 2.89Å
210E96.2Very high97.4Very high16 Ų1623.4 Ų23.48%0.07512%0.121CC..PPolyproline II helixtrans-68.9122.2178.8-170.477.2-104.600109.3R176 P188 R189 P192 Y274R176-E210 IonicContact NE-OE1 3.43Å; R176-E210 PolarHBondContact NE-OE1 2.67Å; P188-E210 HydrophobicContact CB-CB 3.85Å; P188-E210 HydrophobicContact CB-CG 4.45Å; R189-E210 WeakPolarHBondContact CB-OE2 3.47Å; R189-E210 VanDerWaalsContact CG-OE2 3.27Å; R189-E210 WeakPolarHBondContact CG-OE2 3.37Å; R189-E210 IonicContact CZ-OE1 3.56Å; R189-E210 IonicContact CZ-OE2 3.52Å; R189-E210 PolarHBondContact N-OE2 2.74Å; R189-E210 VanDerWaalsContact N-OE2 3.13Å; R189-E210 IonicContact NE-OE1 3.51Å; R189-E210 IonicContact NE-OE2 2.72Å; R189-E210 PolarHBondContact NE-OE2 2.83Å; R189-E210 IonicContact NH2-OE1 2.75Å; R189-E210 PolarHBondContact NH2-OE1 2.89Å; R189-E210 IonicContact NH2-OE2 3.47Å; R189-E210 PolarHBondContact NH2-OE2 3.45Å; P192-E210 HydrophobicContact CG-CB 4.29Å; E210-Y274 HydrophobicContact CB-CE2 4.11Å; E210-Y274 HydrophobicContact CG-CE2 3.61Å
211A96.6Very high97.5Very high11 Ų1123 Ų239%0.09112%0.12CC..PPolyproline II helixtrans-74.1135.2174.200000110.1L146 K209 D215L146-A211 HydrophobicContact CD1-CB 4.38Å; L146-A211 WeakPolarHBondContact CD1-O 3.43Å; K209-A211 PolarHBondContact O-N 2.89Å; A211-D215 WeakPolarHBondContact CA-OD2 3.49Å; A211-D215 HydrophobicContact CB-CB 4.01Å
212G97.6Very high97.5Very high2 Ų223.1 Ų23.12%0.02112%0.119CC..  trans-106.1-170.5166.400000111.5V214 D215G212-V214 VanDerWaalsContact C-N 3.27Å; G212-V214 PolarHBondContact O-N 2.84Å; G212-D215 PolarHBondContact N-OD2 3.3Å; G212-D215 WeakPolarHBondContact O-CB 3.43Å; G212-D215 PolarHBondContact O-N 3.3Å; G212-D215 VanDerWaalsContact O-N 3.16Å
213R98.5Very high97.6Very high19 Ų1923 Ų237%0.07212%0.119CC..Hα-helixtrans-61.8-32.9-179-70177.1-78.3-157.3-1.2113.4H141 L146 Y178 D215 D216 E275 E276 P278H141-R213 VanDerWaalsContact CE1-CB 3.49Å; H141-R213 WeakPolarHBondContact CE1-CB 3.31Å; H141-R213 PolarHBondContact CE1-O 2.95Å; H141-R213 VanDerWaalsContact CE1-O 3.25Å; L146-R213 HydrophobicContact CD2-CB 4.29Å; L146-R213 HydrophobicContact CD2-CG 3.72Å; Y178-R213 HydrophobicContact CD2-CG 4.4Å; Y178-R213 HydrophobicContact CE1-CG 4.22Å; Y178-R213 HydrophobicContact CE2-CG 4Å; Y178-R213 PolarHBondContact OH-NH1 2.96Å; R213-D215 PolarHBondContact O-N 3.27Å; R213-D216 PolarHBondContact O-N 2.79Å; R213-E275 PolarHBondContact NH2-O 3.47Å; R213-E276 PolarHBondContact NE-O 2.72Å; R213-E276 VanDerWaalsContact NE-O 3.1Å; R213-E276 PolarHBondContact NH2-O 3.13Å; R213-E276 VanDerWaalsContact NH2-O 3.08Å; R213-P278 HydrophobicContact CB-CG 3.88Å
214V98.6Very high97.6Very high11 Ų1121.7 Ų21.77%0.06711%0.111CC..Hα-helixtrans-60.6-29.8177.665.60000112.3G212 L217 W218 L269 M272G212-V214 VanDerWaalsContact C-N 3.27Å; G212-V214 PolarHBondContact O-N 2.84Å; V214-L217 PolarHBondContact O-N 3.28Å; V214-W218 PolarHBondContact O-N 2.86Å; V214-L269 HydrophobicContact CG2-CB 4.06Å; V214-L269 HydrophobicContact CG2-CD2 4.05Å; V214-L269 WeakPolarHBondContact CG2-O 3.44Å; V214-M272 HydrophobicContact CB-CB 4.22Å; V214-M272 HydrophobicContact CB-CE 4.38Å; V214-M272 HydrophobicContact CB-SD 4.14Å; V214-M272 HydrophobicContact CG2-CB 3.83Å; V214-M272 HydrophobicContact CG2-CG 4.31Å; V214-M272 HydrophobicContact CG2-SD 3.84Å
215D98.7Very high97.7Very high7 Ų719 Ų194%0.0379%0.094CC..Hα-helixtrans-74.1-30.5-174.5-60-68.2000112.7S202 T204 A211 G212 R213 L217 W218 S219S202-D215 WeakPolarHBondContact CB-OD1 3.43Å; S202-D215 PolarHBondContact OG-OD1 2.83Å; T204-D215 WeakPolarHBondContact CB-OD1 3.49Å; A211-D215 WeakPolarHBondContact CA-OD2 3.49Å; A211-D215 HydrophobicContact CB-CB 4.01Å; G212-D215 PolarHBondContact N-OD2 3.3Å; G212-D215 WeakPolarHBondContact O-CB 3.43Å; G212-D215 PolarHBondContact O-N 3.3Å; G212-D215 VanDerWaalsContact O-N 3.16Å; R213-D215 PolarHBondContact O-N 3.27Å; D215-L217 VanDerWaalsContact C-N 3.33Å; D215-W218 PolarHBondContact O-N 3.41Å; D215-S219 PolarHBondContact O-N 2.97Å; D215-S219 PolarHBondContact O-OG 2.91Å
216D98.8Very high97.8Very high3 Ų319 Ų192%0.0169%0.092CC..Hα-helixtrans-66.8-37.3169.9-81.4-17000110.7V137 H141 L146 H147 R148 I150 R213 S219 V220V137-D216 HydrophobicContact CG1-CB 4.07Å; H141-D216 IonicContact CD2-OD2 3.97Å; H141-D216 IonicContact NE2-OD2 3.95Å; H141-D216 PolarHBondContact NE2-OD2 3.4Å; L146-D216 VanDerWaalsContact CA-OD2 3.31Å; L146-D216 WeakPolarHBondContact CA-OD2 3.41Å; H147-D216 PolarHBondContact N-OD2 3.32Å; R148-D216 WeakPolarHBondContact CA-OD1 3.09Å; R148-D216 PolarHBondContact N-OD1 2.91Å; I150-D216 HydrophobicContact CD1-CB 3.62Å; I150-D216 WeakPolarHBondContact CD1-O 3.18Å; R213-D216 PolarHBondContact O-N 2.79Å; D216-S219 WeakPolarHBondContact O-CB 3.46Å; D216-S219 PolarHBondContact O-N 3.09Å; D216-S219 VanDerWaalsContact O-N 3.17Å; D216-V220 PolarHBondContact O-N 2.93Å
217L98.9Very high97.9Very high3 Ų318 Ų182%0.0169%0.087CC..Hα-helixtrans-71.3-34.2176-66.9175.3000113.2V134 V137 V214 D215 S219 V220 M221 L269 P278 Y280 I283V134-L217 HydrophobicContact CG1-CD2 4.46Å; V134-L217 HydrophobicContact CG2-CD2 4.29Å; V137-L217 HydrophobicContact CB-CD2 4.44Å; V137-L217 HydrophobicContact CG1-CD2 3.97Å; V137-L217 HydrophobicContact CG1-CG 4.38Å; V214-L217 PolarHBondContact O-N 3.28Å; D215-L217 VanDerWaalsContact C-N 3.33Å; L217-S219 PolarHBondContact O-N 2.98Å; L217-V220 WeakPolarHBondContact O-CB 3.1Å; L217-V220 PolarHBondContact O-N 3.45Å; L217-M221 WeakPolarHBondContact O-CG 3.38Å; L217-M221 PolarHBondContact O-N 3.17Å; L217-L269 HydrophobicContact CB-CD1 4Å; L217-L269 HydrophobicContact CB-CD2 3.8Å; L217-L269 HydrophobicContact CD1-CD2 3.88Å; L217-P278 HydrophobicContact CD1-CB 3.3Å; L217-P278 HydrophobicContact CD1-CG 3.47Å; L217-P278 VanDerWaalsContact CD1-CG 3.47Å; L217-Y280 HydrophobicContact CD1-CD1 4.5Å; L217-Y280 HydrophobicContact CD1-CE1 4.27Å; L217-Y280 HydrophobicContact CD2-CD1 4.48Å; L217-Y280 HydrophobicContact CD2-CE1 4.5Å; L217-I283 HydrophobicContact CD1-CD1 3.7Å; L217-I283 HydrophobicContact CD2-CD1 4.44Å
218W98.7Very high98Very high35 Ų3513.8 Ų13.813%0.1337%0.069CC..Hα-helixtrans-58.1-40167.9-86.3110.9000111.7V214 D215 M221 Y222 L266 L269 K270V214-W218 PolarHBondContact O-N 2.86Å; D215-W218 PolarHBondContact O-N 3.41Å; W218-M221 PolarHBondContact O-N 2.74Å; W218-Y222 HydrophobicContact CB-CE2 4.36Å; W218-Y222 AromaticContact CE3-CE1 3.98Å; W218-Y222 HydrophobicContact CE3-CE1 3.98Å; W218-Y222 HydrophobicContact CE3-CE2 4.1Å; W218-Y222 AromaticContact CE3-CZ 3.59Å; W218-Y222 HydrophobicContact CZ3-CE1 4.14Å; W218-Y222 VanDerWaalsContact O-CD2 3.24Å; W218-Y222 WeakPolarHBondContact O-CD2 3.49Å; W218-Y222 PolarHBondContact O-N 3.34Å; W218-L266 HydrophobicContact CH2-CB 4.49Å; W218-L266 HydrophobicContact CH2-CD2 4.36Å; W218-L266 HydrophobicContact CZ3-CD2 3.84Å; W218-L269 HydrophobicContact CD2-CB 4.38Å; W218-L269 HydrophobicContact CD2-CD1 4.25Å; W218-L269 HydrophobicContact CG-CD1 4.42Å; W218-L269 HydrophobicContact CZ2-CB 3.8Å; W218-K270 HydrophobicContact CZ2-CB 4.16Å
219S98.8Very high98.1Very high4 Ų415 Ų153%0.0287%0.07CC..Hα-helixtrans-67-38.1177.7-50.50000112Y200 D215 D216 L217 S223Y200-S219 WeakPolarHBondContact O-CA 3.46Å; Y200-S219 WeakPolarHBondContact O-CB 3.43Å; Y200-S219 PolarHBondContact O-OG 3.25Å; Y200-S219 VanDerWaalsContact O-OG 3.12Å; D215-S219 PolarHBondContact O-N 2.97Å; D215-S219 PolarHBondContact O-OG 2.91Å; D216-S219 WeakPolarHBondContact O-CB 3.46Å; D216-S219 PolarHBondContact O-N 3.09Å; D216-S219 VanDerWaalsContact O-N 3.17Å; L217-S219 PolarHBondContact O-N 2.98Å; S219-S223 WeakPolarHBondContact O-CB 3.44Å; S219-S223 PolarHBondContact O-N 2.83Å; S219-S223 PolarHBondContact O-OG 2.95Å
220V98.9Very high98.1Very high1 Ų19.7 Ų9.71%0.0065%0.052CC..Hα-helixtrans-58.3-53.8168.5174.10000110.2C133 V134 V137 I150 D216 L217 Y222 S223 I224C133-V220 HydrophobicContact CB-CG1 3.72Å; C133-V220 HydrophobicContact CB-CG2 4.03Å; V134-V220 HydrophobicContact CG2-CG1 4.35Å; V137-V220 HydrophobicContact CG2-CG2 3.79Å; I150-V220 HydrophobicContact CD1-CG2 4.25Å; I150-V220 HydrophobicContact CG2-CG2 4.12Å; D216-V220 PolarHBondContact O-N 2.93Å; L217-V220 WeakPolarHBondContact O-CB 3.1Å; L217-V220 PolarHBondContact O-N 3.45Å; V220-Y222 PolarHBondContact O-N 3.3Å; V220-S223 WeakPolarHBondContact O-CB 3.48Å; V220-S223 PolarHBondContact O-N 3.22Å; V220-S223 VanDerWaalsContact O-N 3.07Å; V220-I224 HydrophobicContact CG1-CG1 4.06Å; V220-I224 VanDerWaalsContact O-CG1 3.31Å; V220-I224 WeakPolarHBondContact O-CG1 3.5Å; V220-I224 PolarHBondContact O-N 3.15Å
221M98.8Very high98Very high3 Ų310.7 Ų10.72%0.0156%0.063CC..Hα-helixtrans-56.7-49.2-177.2-68.4-54.2-6800112.1L217 W218 S223 I224 I225 M262 V265 L266 L269 F287L217-M221 WeakPolarHBondContact O-CG 3.38Å; L217-M221 PolarHBondContact O-N 3.17Å; W218-M221 PolarHBondContact O-N 2.74Å; M221-S223 VanDerWaalsContact C-N 3.32Å; M221-S223 PolarHBondContact O-N 2.83Å; M221-I224 PolarHBondContact O-N 3.03Å; M221-I225 HydrophobicContact CB-CD1 4.49Å; M221-I225 VanDerWaalsContact O-CB 3.32Å; M221-I225 WeakPolarHBondContact O-CB 3.39Å; M221-I225 WeakPolarHBondContact O-CD1 3.44Å; M221-I225 WeakPolarHBondContact O-CG1 3.3Å; M221-I225 PolarHBondContact O-N 3.04Å; M221-M262 HydrophobicContact CE-CB 4.29Å; M221-M262 HydrophobicContact CE-CE 3.53Å; M221-V265 HydrophobicContact CE-CB 4.07Å; M221-V265 HydrophobicContact CE-CG1 4.04Å; M221-V265 HydrophobicContact CG-CG1 4.25Å; M221-V265 HydrophobicContact SD-CB 4.32Å; M221-V265 HydrophobicContact SD-CG1 3.66Å; M221-L266 HydrophobicContact CB-CD2 3.96Å; M221-L266 HydrophobicContact CE-CD2 3.66Å; M221-L266 HydrophobicContact CE-CG 4.18Å; M221-L266 HydrophobicContact CG-CD2 4.02Å; M221-L269 HydrophobicContact CG-CD1 3.66Å; M221-F287 HydrophobicContact CE-CZ 4.45Å; M221-F287 HydrophobicContact SD-CZ 3.83Å
222Y98.7Very high98Very high7 Ų710.5 Ų10.53%0.0276%0.06CC..Hα-helixtrans-62.3-38.8177.4-62.1-39.6000112.5Y200 W218 V220 I224 I225 E226 L232 W234 K246 L254Y200-Y222 VanDerWaalsContact O-CD2 3.31Å; Y200-Y222 WeakPolarHBondContact O-CD2 3.39Å; W218-Y222 HydrophobicContact CB-CE2 4.36Å; W218-Y222 AromaticContact CE3-CE1 3.98Å; W218-Y222 HydrophobicContact CE3-CE1 3.98Å; W218-Y222 HydrophobicContact CE3-CE2 4.1Å; W218-Y222 AromaticContact CE3-CZ 3.59Å; W218-Y222 HydrophobicContact CZ3-CE1 4.14Å; W218-Y222 VanDerWaalsContact O-CD2 3.24Å; W218-Y222 WeakPolarHBondContact O-CD2 3.49Å; W218-Y222 PolarHBondContact O-N 3.34Å; V220-Y222 PolarHBondContact O-N 3.3Å; Y222-I224 PolarHBondContact O-N 2.64Å; Y222-I225 PolarHBondContact O-N 2.87Å; Y222-E226 WeakPolarHBondContact O-CB 3.44Å; Y222-E226 PolarHBondContact O-N 3.24Å; Y222-L232 HydrophobicContact CD1-CD2 4.47Å; Y222-L232 WeakPolarHBondContact O-CD2 3.27Å; Y222-W234 AromaticContact CD1-CH2 3.87Å; Y222-W234 HydrophobicContact CD1-CH2 3.87Å; Y222-W234 AromaticContact CD1-CZ2 3.72Å; Y222-W234 HydrophobicContact CD1-CZ2 3.72Å; Y222-W234 AromaticContact CE1-CH2 3.58Å; Y222-W234 HydrophobicContact CE1-CH2 3.58Å; Y222-W234 AromaticContact CE1-CZ2 3.76Å; Y222-W234 HydrophobicContact CE1-CZ2 3.76Å; Y222-W234 HydrophobicContact CG-CZ2 4.14Å; Y222-K246 HydrophobicContact CE2-CD 4.45Å; Y222-L254 HydrophobicContact CD1-CD2 4.46Å; Y222-L254 HydrophobicContact CE1-CD2 4.03Å
223S98.7Very high97.9Very high1 Ų113.1 Ų13.11%0.0078%0.077CC..Hα-helixtrans-63.1-41.8176.8-57.80000112.3K151 S219 V220 M221 C227K151-S223 WeakPolarHBondContact CA-OG 3.41Å; S219-S223 WeakPolarHBondContact O-CB 3.44Å; S219-S223 PolarHBondContact O-N 2.83Å; S219-S223 PolarHBondContact O-OG 2.95Å; V220-S223 WeakPolarHBondContact O-CB 3.48Å; V220-S223 PolarHBondContact O-N 3.22Å; V220-S223 VanDerWaalsContact O-N 3.07Å; M221-S223 VanDerWaalsContact C-N 3.32Å; M221-S223 PolarHBondContact O-N 2.83Å; S223-C227 WeakPolarHBondContact O-CB 3.41Å; S223-C227 PolarHBondContact O-N 3.4Å; S223-C227 PolarHBondContact O-SG 3.41Å
224I98.7Very high97.8Very high0 Ų012.3 Ų12.30%07%0.074CC..Hα-helixtrans-71.3-40.2179.8-61.6-54000111.4I129 A130 V220 M221 Y222 E226 C227 M228 M262I129-I224 HydrophobicContact CB-CD1 4.12Å; I129-I224 HydrophobicContact CG2-CD1 3.58Å; A130-I224 HydrophobicContact CB-CB 4.38Å; A130-I224 HydrophobicContact CB-CD1 3.82Å; A130-I224 HydrophobicContact CB-CG1 3.63Å; A130-I224 HydrophobicContact CB-CG2 3.91Å; V220-I224 HydrophobicContact CG1-CG1 4.06Å; V220-I224 VanDerWaalsContact O-CG1 3.31Å; V220-I224 WeakPolarHBondContact O-CG1 3.5Å; V220-I224 PolarHBondContact O-N 3.15Å; M221-I224 PolarHBondContact O-N 3.03Å; Y222-I224 PolarHBondContact O-N 2.64Å; I224-E226 VanDerWaalsContact C-N 3.35Å; I224-C227 WeakPolarHBondContact O-CA 3.33Å; I224-C227 VanDerWaalsContact O-CB 3.28Å; I224-C227 WeakPolarHBondContact O-CB 3.47Å; I224-C227 PolarHBondContact O-N 2.87Å; I224-C227 VanDerWaalsContact O-N 3.13Å; I224-M228 HydrophobicContact CG2-CE 3.8Å; I224-M228 HydrophobicContact CG2-SD 4.38Å; I224-M228 WeakPolarHBondContact O-CG 3.48Å; I224-M228 PolarHBondContact O-N 3.27Å; I224-M262 HydrophobicContact CG2-CE 4.06Å
225I98.5Very high97.6Very high0 Ų013.6 Ų13.60%08%0.08CC..Hα-helixtrans-61.4-45.5175.7-70.6169.6000109.8M221 Y222 C227 M228 Q229 L232 L254 L255 M262 L266M221-I225 HydrophobicContact CB-CD1 4.49Å; M221-I225 VanDerWaalsContact O-CB 3.32Å; M221-I225 WeakPolarHBondContact O-CB 3.39Å; M221-I225 WeakPolarHBondContact O-CD1 3.44Å; M221-I225 WeakPolarHBondContact O-CG1 3.3Å; M221-I225 PolarHBondContact O-N 3.04Å; Y222-I225 PolarHBondContact O-N 2.87Å; I225-C227 VanDerWaalsContact C-N 3.32Å; I225-C227 PolarHBondContact O-N 3.41Å; I225-M228 PolarHBondContact O-N 3.19Å; I225-Q229 WeakPolarHBondContact O-CB 3.22Å; I225-Q229 VanDerWaalsContact O-CG 3.31Å; I225-Q229 WeakPolarHBondContact O-CG 3.32Å; I225-Q229 PolarHBondContact O-N 2.89Å; I225-L232 HydrophobicContact CB-CD2 4.32Å; I225-L232 HydrophobicContact CG2-CD2 3.88Å; I225-L254 HydrophobicContact CD1-CD1 4.39Å; I225-L254 HydrophobicContact CD1-CD2 4.04Å; I225-L254 HydrophobicContact CD1-CG 3.96Å; I225-L254 HydrophobicContact CG2-CD1 3.99Å; I225-L254 HydrophobicContact CG2-CG 4.39Å; I225-L254 WeakPolarHBondContact CG2-O 3.46Å; I225-L255 HydrophobicContact CD1-CD2 3.76Å; I225-L255 HydrophobicContact CG1-CD2 3.9Å; I225-M262 HydrophobicContact CG1-CE 4.06Å; I225-L266 HydrophobicContact CD1-CD2 4.41Å
226E98Very high97.3Very high12 Ų1222 Ų226%0.05612%0.119CC..Hα-helixtrans-62.6-38.2172.9-164.5-149.3159.200112.1K113 P152 Y200 Y222 I224 M228 Q229 G230 L232K113-E226 WeakPolarHBondContact CE-OE1 3.23Å; K113-E226 IonicContact NZ-OE1 3.88Å; K113-E226 PolarHBondContact NZ-OE1 2.84Å; P152-E226 WeakPolarHBondContact CG-OE2 3.21Å; Y200-E226 WeakPolarHBondContact CE1-OE2 3.49Å; Y200-E226 VanDerWaalsContact OH-CD 3.31Å; Y200-E226 PolarHBondContact OH-OE2 3.39Å; Y222-E226 WeakPolarHBondContact O-CB 3.44Å; Y222-E226 PolarHBondContact O-N 3.24Å; I224-E226 VanDerWaalsContact C-N 3.35Å; E226-M228 VanDerWaalsContact C-N 3.31Å; E226-M228 PolarHBondContact O-N 3.38Å; E226-Q229 PolarHBondContact O-N 3.46Å; E226-G230 CarbonylContact O-C 3.59Å; E226-G230 WeakPolarHBondContact O-CA 3.18Å; E226-G230 PolarHBondContact O-N 2.91Å; E226-L232 HydrophobicContact CB-CD2 4.39Å; E226-L232 HydrophobicContact CB-CG 4.07Å; E226-L232 HydrophobicContact CG-CG 4.38Å
227C98.1Very high97.1Very high1 Ų124.2 Ų24.21%0.00713%0.132CC..Hα-helixtrans-59.6-40.9175.6-78.60000112.1T120 F121 S223 I224 I225T120-C227 CarbonylContact C-O 3.55Å; T120-C227 WeakPolarHBondContact CA-O 3.44Å; F121-C227 HydrophobicContact CD2-CB 3.79Å; F121-C227 PolarHBondContact N-O 2.97Å; S223-C227 WeakPolarHBondContact O-CB 3.41Å; S223-C227 PolarHBondContact O-N 3.4Å; S223-C227 PolarHBondContact O-SG 3.41Å; I224-C227 WeakPolarHBondContact O-CA 3.33Å; I224-C227 VanDerWaalsContact O-CB 3.28Å; I224-C227 WeakPolarHBondContact O-CB 3.47Å; I224-C227 PolarHBondContact O-N 2.87Å; I224-C227 VanDerWaalsContact O-N 3.13Å; I225-C227 VanDerWaalsContact C-N 3.32Å; I225-C227 PolarHBondContact O-N 3.41Å
228M97.6Very high96.8Very high9 Ų929.2 Ų29.24%0.04416%0.159CC..Hα-helixtrans-74.3-38.5179.2-67.2175.6175.200112.9T120 S126 L127 I224 I225 E226 A258 M262T120-M228 WeakPolarHBondContact CB-O 3.47Å; S126-M228 VanDerWaalsContact CB-CE 3.46Å; S126-M228 WeakPolarHBondContact OG-CG 3.42Å; L127-M228 HydrophobicContact CD2-CE 3.91Å; L127-M228 HydrophobicContact CG-CE 3.86Å; I224-M228 HydrophobicContact CG2-CE 3.8Å; I224-M228 HydrophobicContact CG2-SD 4.38Å; I224-M228 WeakPolarHBondContact O-CG 3.48Å; I224-M228 PolarHBondContact O-N 3.27Å; I225-M228 PolarHBondContact O-N 3.19Å; E226-M228 VanDerWaalsContact C-N 3.31Å; E226-M228 PolarHBondContact O-N 3.38Å; M228-A258 HydrophobicContact SD-CB 3.71Å; M228-M262 HydrophobicContact CE-CE 4.46Å; M228-M262 HydrophobicContact CE-SD 3.77Å; M228-M262 HydrophobicContact SD-CE 4.46Å; M228-M262 HydrophobicContact SD-SD 3.82Å
229Q96Very high96.4Very high42 Ų4233.6 Ų33.620%0.19618%0.181CC..Hα-helixtrans-104.3-17.3-167.8-55.7-170.260.600113.9T120 I225 E226 A231 L254 N257T120-Q229 VanDerWaalsContact CG2-C 3.45Å; I225-Q229 WeakPolarHBondContact O-CB 3.22Å; I225-Q229 VanDerWaalsContact O-CG 3.31Å; I225-Q229 WeakPolarHBondContact O-CG 3.32Å; I225-Q229 PolarHBondContact O-N 2.89Å; E226-Q229 PolarHBondContact O-N 3.46Å; Q229-A231 VanDerWaalsContact C-N 3.29Å; Q229-A231 PolarHBondContact O-N 2.89Å; Q229-L254 PolarHBondContact NE2-O 2.94Å; Q229-N257 HydrophobicContact CG-CB 3.97Å
230G95.8Very high96.1Very high17 Ų1741.3 Ų41.318%0.17521%0.214CC..SBendtrans92.2-26-179.800000114.5K113 K119 E226K113-G230 PolarHBondContact NZ-O 3.26Å; K119-G230 VanDerWaalsContact O-CA 3.24Å; K119-G230 WeakPolarHBondContact O-CA 3.37Å; E226-G230 CarbonylContact O-C 3.59Å; E226-G230 WeakPolarHBondContact O-CA 3.18Å; E226-G230 PolarHBondContact O-N 2.91Å
231A95.6Very high96Very high37 Ų3744.4 Ų44.431%0.30623%0.231SC..SBendtrans-149.1157.4177.400000110.5Q229 D235Q229-A231 VanDerWaalsContact C-N 3.29Å; Q229-A231 PolarHBondContact O-N 2.89Å; A231-D235 WeakPolarHBondContact CA-OD2 3.24Å; A231-D235 HydrophobicContact CB-CB 4.47Å; A231-D235 VanDerWaalsContact CB-OD2 3.25Å; A231-D235 WeakPolarHBondContact CB-OD2 3.44Å
232L96.7Very high95.9Very high7 Ų744.5 Ų44.54%0.03723%0.231CC..  trans-86.5153.6164.6-67164.2000110.1L199 Y200 Y222 I225 E226 W234 D235L199-L232 HydrophobicContact CB-CD1 4.49Å; Y200-L232 HydrophobicContact CD1-CD1 4.21Å; Y200-L232 HydrophobicContact CE1-CD1 4.12Å; Y222-L232 HydrophobicContact CD1-CD2 4.47Å; Y222-L232 WeakPolarHBondContact O-CD2 3.27Å; I225-L232 HydrophobicContact CB-CD2 4.32Å; I225-L232 HydrophobicContact CG2-CD2 3.88Å; E226-L232 HydrophobicContact CB-CD2 4.39Å; E226-L232 HydrophobicContact CB-CG 4.07Å; E226-L232 HydrophobicContact CG-CG 4.38Å; L232-W234 HydrophobicContact CB-CD2 4.32Å; L232-W234 HydrophobicContact CB-CG 4.49Å; L232-W234 HydrophobicContact CB-CZ2 4.2Å; L232-W234 HydrophobicContact CD1-CZ2 4.06Å; L232-W234 HydrophobicContact CD2-CZ2 4.01Å; L232-W234 HydrophobicContact CG-CZ2 4.33Å; L232-W234 PolarHBondContact O-N 3.15Å; L232-D235 WeakPolarHBondContact CB-OD1 3.08Å; L232-D235 VanDerWaalsContact N-CG 3.35Å; L232-D235 PolarHBondContact N-OD2 3.43Å; L232-D235 PolarHBondContact O-N 3.33Å
233P95.8Very high95.8Very high57 Ų5745.5 Ų45.537%0.3724%0.238SC..THydrogen-bonded Turntrans-56.3-16.5178.8-27.435.3000115.4M249 L254P233-M249 HydrophobicContact CB-CE 3.88Å; P233-M249 HydrophobicContact CG-CE 4.45Å; P233-L254 HydrophobicContact CG-CD1 4.14Å
234W96.4Very high95.7Very high1 Ų148.7 Ų48.70%0.00426%0.26CS..THydrogen-bonded Turntrans-112.79.6-177.851.172.2000114.5L199 Y222 L232 H236 V237 I242 I245 K246 M249 L254L199-W234 PolarHBondContact O-NE1 2.8Å; L199-W234 VanDerWaalsContact O-NE1 3.15Å; Y222-W234 AromaticContact CD1-CH2 3.87Å; Y222-W234 HydrophobicContact CD1-CH2 3.87Å; Y222-W234 AromaticContact CD1-CZ2 3.72Å; Y222-W234 HydrophobicContact CD1-CZ2 3.72Å; Y222-W234 AromaticContact CE1-CH2 3.58Å; Y222-W234 HydrophobicContact CE1-CH2 3.58Å; Y222-W234 AromaticContact CE1-CZ2 3.76Å; Y222-W234 HydrophobicContact CE1-CZ2 3.76Å; Y222-W234 HydrophobicContact CG-CZ2 4.14Å; L232-W234 HydrophobicContact CB-CD2 4.32Å; L232-W234 HydrophobicContact CB-CG 4.49Å; L232-W234 HydrophobicContact CB-CZ2 4.2Å; L232-W234 HydrophobicContact CD1-CZ2 4.06Å; L232-W234 HydrophobicContact CD2-CZ2 4.01Å; L232-W234 HydrophobicContact CG-CZ2 4.33Å; L232-W234 PolarHBondContact O-N 3.15Å; W234-H236 PolarHBondContact O-N 3.27Å; W234-V237 HydrophobicContact CB-CB 4.47Å; W234-V237 HydrophobicContact CB-CG2 4.41Å; W234-V237 PolarHBondContact O-N 3.16Å; W234-I242 HydrophobicContact CB-CG1 4.28Å; W234-I242 HydrophobicContact CB-CG2 4.27Å; W234-I242 HydrophobicContact CG-CG2 3.91Å; W234-I245 HydrophobicContact CB-CG2 4.36Å; W234-I245 HydrophobicContact CE3-CG2 3.87Å; W234-K246 HydrophobicContact CD2-CG 3.98Å; W234-K246 HydrophobicContact CE3-CG 3.93Å; W234-K246 HydrophobicContact CH2-CG 3.81Å; W234-K246 HydrophobicContact CZ2-CD 4.23Å; W234-K246 HydrophobicContact CZ2-CG 3.87Å; W234-K246 HydrophobicContact CZ3-CG 3.83Å; W234-M249 HydrophobicContact CZ3-CG 4.43Å; W234-L254 HydrophobicContact CH2-CD1 3.64Å; W234-L254 HydrophobicContact CZ3-CD1 3.95Å
235D93.8Very high95.6Very high38 Ų3850.9 Ų50.920%0.20327%0.272CS..THydrogen-bonded Turntrans-60.6-30.1-177.8-82.1-4.1000113.9A231 L232A231-D235 WeakPolarHBondContact CA-OD2 3.24Å; A231-D235 HydrophobicContact CB-CB 4.47Å; A231-D235 VanDerWaalsContact CB-OD2 3.25Å; A231-D235 WeakPolarHBondContact CB-OD2 3.44Å; L232-D235 WeakPolarHBondContact CB-OD1 3.08Å; L232-D235 VanDerWaalsContact N-CG 3.35Å; L232-D235 PolarHBondContact N-OD2 3.43Å; L232-D235 PolarHBondContact O-N 3.33Å
236H92.3Very high95.6Very high183 Ų18351.6 Ų51.685%0.84728%0.275SS*.THydrogen-bonded Turntrans-109.217.4-177.8-56.1-38.1000112.9W234W234-H236 PolarHBondContact O-N 3.27Å
237V94.1Very high95.5Very high50 Ų5055.1 Ų55.130%0.30329%0.291SS..SBendtrans-98149.2178.4-178.60000109.9W234 E239 D241 I245W234-V237 HydrophobicContact CB-CB 4.47Å; W234-V237 HydrophobicContact CB-CG2 4.41Å; W234-V237 PolarHBondContact O-N 3.16Å; V237-E239 PolarHBondContact O-N 3.32Å; V237-D241 HydrophobicContact CG1-CB 3.72Å; V237-I245 HydrophobicContact CB-CD1 4.11Å; V237-I245 HydrophobicContact CG1-CD1 3.63Å; V237-I245 HydrophobicContact CG2-CD1 3.79Å
238N93.3Very high95.4Very high108 Ų10860.9 Ų60.958%0.57832%0.322SS*.  trans-55.8136.1172.4-64.2-52.9000110.8K240 D241 I242N238-K240 HydrophobicContact CB-CG 4.17Å; N238-K240 PolarHBondContact O-N 2.72Å; N238-D241 WeakPolarHBondContact CB-OD2 3.31Å; N238-D241 PolarHBondContact O-N 2.7Å; N238-I242 PolarHBondContact O-N 3.26Å
239E90.1Very high95.3Very high127 Ų12762.1 Ų62.159%0.59333%0.328SS*.Hα-helixtrans-53.7-36.8-173.6-166.3174.8-174.400113.8T198 V237 D241 I242T198-E239 WeakPolarHBondContact CB-OE1 3.07Å; T198-E239 HydrophobicContact CG2-CG 3.79Å; T198-E239 PolarHBondContact OG1-OE1 3.26Å; V237-E239 PolarHBondContact O-N 3.32Å; E239-D241 PolarHBondContact O-N 2.76Å; E239-I242 HydrophobicContact CG-CD1 4.43Å; E239-I242 PolarHBondContact O-N 3.38Å
240K91.9Very high95.2Very high167 Ų16763.3 Ų63.373%0.72634%0.339SS*.Hα-helixtrans-62.6-24.9177.665.4174.9-173.6177.80114.4N238N238-K240 HydrophobicContact CB-CG 4.17Å; N238-K240 PolarHBondContact O-N 2.72Å
241D96.4Very high95.3Very high65 Ų6563.4 Ų63.435%0.34834%0.336SS..Hα-helixtrans-95.7-18.2-174.7-57.4-42.3000111.6V237 N238 E239 V243 S244 I245V237-D241 HydrophobicContact CG1-CB 3.72Å; N238-D241 WeakPolarHBondContact CB-OD2 3.31Å; N238-D241 PolarHBondContact O-N 2.7Å; E239-D241 PolarHBondContact O-N 2.76Å; D241-V243 VanDerWaalsContact C-N 3.29Å; D241-V243 PolarHBondContact O-N 3.19Å; D241-S244 PolarHBondContact O-N 3.36Å; D241-S244 VanDerWaalsContact O-N 3.14Å; D241-I245 WeakPolarHBondContact O-CG1 3.45Å; D241-I245 PolarHBondContact O-N 2.84Å; D241-I245 VanDerWaalsContact O-N 3.08Å
242I97.2Very high95.2Very high5 Ų567.2 Ų67.23%0.02635%0.347CS..Hα-helixtrans-54.9-42.7-176.5-63.8-178.1000112T198 L199 W234 N238 E239 S244 I245 K246T198-I242 HydrophobicContact CG2-CB 4.38Å; T198-I242 HydrophobicContact CG2-CD1 4.06Å; T198-I242 HydrophobicContact CG2-CG2 4.25Å; L199-I242 HydrophobicContact CD2-CD1 3.93Å; W234-I242 HydrophobicContact CB-CG1 4.28Å; W234-I242 HydrophobicContact CB-CG2 4.27Å; W234-I242 HydrophobicContact CG-CG2 3.91Å; N238-I242 PolarHBondContact O-N 3.26Å; E239-I242 HydrophobicContact CG-CD1 4.43Å; E239-I242 PolarHBondContact O-N 3.38Å; I242-S244 PolarHBondContact O-N 2.81Å; I242-I245 PolarHBondContact O-N 2.87Å; I242-K246 HydrophobicContact CG2-CD 4Å; I242-K246 HydrophobicContact CG2-CG 4.34Å; I242-K246 WeakPolarHBondContact O-CG 3.13Å; I242-K246 PolarHBondContact O-N 2.87Å
243V96.3Very high95.1Very high29 Ų2970.9 Ų70.918%0.17637%0.367CS..Hα-helixtrans-63.8-44.3-178.1-174.80000111.2V203 N206 K207 D241 I245 K246 E247V203-V243 HydrophobicContact CG1-CG1 4.2Å; N206-V243 HydrophobicContact CB-CG2 3.6Å; K207-V243 HydrophobicContact CD-CG1 4.46Å; K207-V243 HydrophobicContact CG-CG1 3.94Å; D241-V243 VanDerWaalsContact C-N 3.29Å; D241-V243 PolarHBondContact O-N 3.19Å; V243-I245 VanDerWaalsContact C-N 3.32Å; V243-I245 PolarHBondContact O-N 3.46Å; V243-K246 PolarHBondContact O-N 2.87Å; V243-E247 WeakPolarHBondContact O-CG 3.07Å; V243-E247 PolarHBondContact O-N 3.24Å; V243-E247 VanDerWaalsContact O-N 3.09Å
244S97.1Very high95.2Very high67 Ų6768.5 Ų68.547%0.46935%0.351SS..Hα-helixtrans-63.2-41.1177.9-174.30000111.1D241 I242 E247 N248D241-S244 PolarHBondContact O-N 3.36Å; D241-S244 VanDerWaalsContact O-N 3.14Å; I242-S244 PolarHBondContact O-N 2.81Å; S244-E247 PolarHBondContact O-N 2.96Å; S244-N248 PolarHBondContact O-N 2.92Å; S244-N248 PolarHBondContact O-ND2 2.8Å
245I97Very high95.3Very high47 Ų4768.9 Ų68.924%0.24135%0.353CS..Hα-helixtrans-62.5-49.6176.5-66.5176.1000110.5W234 V237 D241 I242 V243 E247 N248 M249W234-I245 HydrophobicContact CB-CG2 4.36Å; W234-I245 HydrophobicContact CE3-CG2 3.87Å; V237-I245 HydrophobicContact CB-CD1 4.11Å; V237-I245 HydrophobicContact CG1-CD1 3.63Å; V237-I245 HydrophobicContact CG2-CD1 3.79Å; D241-I245 WeakPolarHBondContact O-CG1 3.45Å; D241-I245 PolarHBondContact O-N 2.84Å; D241-I245 VanDerWaalsContact O-N 3.08Å; I242-I245 PolarHBondContact O-N 2.87Å; V243-I245 VanDerWaalsContact C-N 3.32Å; V243-I245 PolarHBondContact O-N 3.46Å; I245-E247 VanDerWaalsContact C-N 3.26Å; I245-E247 PolarHBondContact O-N 3.44Å; I245-N248 PolarHBondContact O-N 3.4Å; I245-N248 VanDerWaalsContact O-N 3.16Å; I245-M249 HydrophobicContact CG2-CE 3.43Å; I245-M249 VanDerWaalsContact CG2-CE 3.43Å; I245-M249 VanDerWaalsContact O-CB 3.3Å; I245-M249 WeakPolarHBondContact O-CB 3.35Å; I245-M249 PolarHBondContact O-N 2.81Å
246K97.3Very high95.3Very high14 Ų1473.5 Ų73.56%0.06137%0.373CS..Hα-helixtrans-56.2-38.9178.5-76177.9170.1-175.10113T198 L199 S201 V203 Y222 W234 I242 V243T198-K246 PolarHBondContact O-NZ 2.82Å; L199-K246 WeakPolarHBondContact O-CE 3.28Å; L199-K246 PolarHBondContact O-NZ 3.1Å; S201-K246 PolarHBondContact O-NZ 3.45Å; V203-K246 HydrophobicContact CG2-CB 3.6Å; V203-K246 HydrophobicContact CG2-CD 4.49Å; Y222-K246 HydrophobicContact CE2-CD 4.45Å; W234-K246 HydrophobicContact CD2-CG 3.98Å; W234-K246 HydrophobicContact CE3-CG 3.93Å; W234-K246 HydrophobicContact CH2-CG 3.81Å; W234-K246 HydrophobicContact CZ2-CD 4.23Å; W234-K246 HydrophobicContact CZ2-CG 3.87Å; W234-K246 HydrophobicContact CZ3-CG 3.83Å; I242-K246 HydrophobicContact CG2-CD 4Å; I242-K246 HydrophobicContact CG2-CG 4.34Å; I242-K246 WeakPolarHBondContact O-CG 3.13Å; I242-K246 PolarHBondContact O-N 2.87Å; V243-K246 PolarHBondContact O-N 2.87Å
247E95.9Very high95.4Very high87 Ų8769.4 Ų69.441%0.40736%0.357SS..Hα-helixtrans-70.1-32.7-179.8-74-169.7123.100113.8V203 K207 V243 S244 I245V203-E247 HydrophobicContact CB-CG 4.28Å; V203-E247 HydrophobicContact CG1-CG 3.45Å; V203-E247 VanDerWaalsContact CG1-CG 3.45Å; V203-E247 WeakPolarHBondContact CG1-OE1 3.16Å; V203-E247 HydrophobicContact CG2-CG 3.81Å; K207-E247 VanDerWaalsContact CE-OE1 3.28Å; K207-E247 WeakPolarHBondContact CE-OE1 3.32Å; K207-E247 VanDerWaalsContact CE-OE2 3.26Å; K207-E247 WeakPolarHBondContact CE-OE2 3.27Å; K207-E247 IonicContact NZ-OE1 3.72Å; K207-E247 PolarHBondContact NZ-OE1 3.5Å; K207-E247 IonicContact NZ-OE2 3.62Å; K207-E247 PolarHBondContact NZ-OE2 3.06Å; V243-E247 WeakPolarHBondContact O-CG 3.07Å; V243-E247 PolarHBondContact O-N 3.24Å; V243-E247 VanDerWaalsContact O-N 3.09Å; S244-E247 PolarHBondContact O-N 2.96Å; I245-E247 VanDerWaalsContact C-N 3.26Å; I245-E247 PolarHBondContact O-N 3.44Å
248N96.2Very high95.5Very high121 Ų12167.4 Ų67.465%0.64735%0.346SS*.Hα-helixtrans-103.5-5.5-173.3-64-68000113.4S244 I245 P250S244-N248 PolarHBondContact O-N 2.92Å; S244-N248 PolarHBondContact O-ND2 2.8Å; I245-N248 PolarHBondContact O-N 3.4Å; I245-N248 VanDerWaalsContact O-N 3.16Å; N248-P250 VanDerWaalsContact O-CD 3.32Å; N248-P250 WeakPolarHBondContact O-CD 3.38Å
249M95.1Very high95.8Very high35 Ų3562.4 Ų62.417%0.17232%0.319CS..  trans-68.5120.8180-172.562.758.700110.9P233 W234 I245 L253 L254P233-M249 HydrophobicContact CB-CE 3.88Å; P233-M249 HydrophobicContact CG-CE 4.45Å; W234-M249 HydrophobicContact CZ3-CG 4.43Å; I245-M249 HydrophobicContact CG2-CE 3.43Å; I245-M249 VanDerWaalsContact CG2-CE 3.43Å; I245-M249 VanDerWaalsContact O-CB 3.3Å; I245-M249 WeakPolarHBondContact O-CB 3.35Å; I245-M249 PolarHBondContact O-N 2.81Å; M249-L253 HydrophobicContact CE-CD2 4.35Å; M249-L253 HydrophobicContact SD-CB 3.79Å; M249-L253 HydrophobicContact SD-CD2 3.44Å; M249-L253 WeakPolarHBondContact SD-CD2 2.99Å; M249-L253 HydrophobicContact SD-CG 3.56Å; M249-L253 VanDerWaalsContact SD-CG 3.56Å; M249-L254 HydrophobicContact CG-CB 3.97Å
250P95.6Very high96.1Very high67 Ų6763.3 Ų63.344%0.43532%0.324SS..  trans-65.1142.5168.7-19.133.1000110.8N248 Q252 L253 L254N248-P250 VanDerWaalsContact O-CD 3.32Å; N248-P250 WeakPolarHBondContact O-CD 3.38Å; P250-Q252 PolarHBondContact O-N 3.41Å; P250-L253 PolarHBondContact O-N 3.11Å; P250-L253 VanDerWaalsContact O-N 3.09Å; P250-L254 PolarHBondContact O-N 3.17Å
251N96.1Very high96.4Very high19 Ų1957.4 Ų57.410%0.10230%0.299CS..Hα-helixtrans-58.2-36.6178.1-66.9-25.2000111.7L253 L254 L255 E263 L266 N267N251-L253 VanDerWaalsContact C-N 3.27Å; N251-L253 PolarHBondContact O-N 3.35Å; N251-L254 PolarHBondContact O-N 2.92Å; N251-L254 VanDerWaalsContact O-N 3.15Å; N251-L255 WeakPolarHBondContact O-CB 3.26Å; N251-L255 WeakPolarHBondContact O-CG 3.26Å; N251-L255 PolarHBondContact O-N 3.08Å; N251-E263 HydrophobicContact CB-CB 4.47Å; N251-E263 HydrophobicContact CB-CG 3.98Å; N251-E263 WeakPolarHBondContact CB-OE1 3.1Å; N251-E263 PolarHBondContact ND2-OE1 3.39Å; N251-L266 HydrophobicContact CB-CD1 4.11Å; N251-N267 PolarHBondContact ND2-OD1 3.37Å
252Q94.3Very high96.5Very high117 Ų11754.3 Ų54.355%0.54728%0.282SS..Hα-helixtrans-60.5-37.2179-63.176.120.900111.9P250 E256 E263P250-Q252 PolarHBondContact O-N 3.41Å; Q252-E256 PolarHBondContact O-N 3.27Å; Q252-E263 PolarHBondContact NE2-OE1 3.09Å; Q252-E263 PolarHBondContact NE2-OE2 3.06Å
253L95.5Very high96.5Very high85 Ų8556.4 Ų56.445%0.44529%0.292SS..Hα-helixtrans-77.7-35.8176.7-176.457.6000111.3M249 P250 N251 L255 E256M249-L253 HydrophobicContact CE-CD2 4.35Å; M249-L253 HydrophobicContact SD-CB 3.79Å; M249-L253 HydrophobicContact SD-CD2 3.44Å; M249-L253 WeakPolarHBondContact SD-CD2 2.99Å; M249-L253 HydrophobicContact SD-CG 3.56Å; M249-L253 VanDerWaalsContact SD-CG 3.56Å; P250-L253 PolarHBondContact O-N 3.11Å; P250-L253 VanDerWaalsContact O-N 3.09Å; N251-L253 VanDerWaalsContact C-N 3.27Å; N251-L253 PolarHBondContact O-N 3.35Å; L253-L255 PolarHBondContact O-N 3.42Å; L253-E256 PolarHBondContact O-N 2.91Å
254L97.2Very high96.6Very high7 Ų762.1 Ų62.14%0.03731%0.311CS..Hα-helixtrans-65.1-31174.4-17859000112.2Y222 I225 Q229 P233 W234 M249 P250 N251 L266Y222-L254 HydrophobicContact CD1-CD2 4.46Å; Y222-L254 HydrophobicContact CE1-CD2 4.03Å; I225-L254 HydrophobicContact CD1-CD1 4.39Å; I225-L254 HydrophobicContact CD1-CD2 4.04Å; I225-L254 HydrophobicContact CD1-CG 3.96Å; I225-L254 HydrophobicContact CG2-CD1 3.99Å; I225-L254 HydrophobicContact CG2-CG 4.39Å; I225-L254 WeakPolarHBondContact CG2-O 3.46Å; Q229-L254 PolarHBondContact NE2-O 2.94Å; P233-L254 HydrophobicContact CG-CD1 4.14Å; W234-L254 HydrophobicContact CH2-CD1 3.64Å; W234-L254 HydrophobicContact CZ3-CD1 3.95Å; M249-L254 HydrophobicContact CG-CB 3.97Å; P250-L254 PolarHBondContact O-N 3.17Å; N251-L254 PolarHBondContact O-N 2.92Å; N251-L254 VanDerWaalsContact O-N 3.15Å; L254-L266 HydrophobicContact CD2-CD1 4Å
255L97.8Very high96.7Very high9 Ų959 Ų595%0.04729%0.289CS..THydrogen-bonded Turntrans-104.319-178-61.9176.6000113.4I225 N251 L253 N257 A258 M262 E263 L266I225-L255 HydrophobicContact CD1-CD2 3.76Å; I225-L255 HydrophobicContact CG1-CD2 3.9Å; N251-L255 WeakPolarHBondContact O-CB 3.26Å; N251-L255 WeakPolarHBondContact O-CG 3.26Å; N251-L255 PolarHBondContact O-N 3.08Å; L253-L255 PolarHBondContact O-N 3.42Å; L255-N257 PolarHBondContact O-N 2.88Å; L255-A258 HydrophobicContact CB-CB 4.34Å; L255-A258 HydrophobicContact CD2-CB 4.01Å; L255-A258 PolarHBondContact O-N 2.74Å; L255-A258 VanDerWaalsContact O-O 3.11Å; L255-M262 HydrophobicContact CD1-CB 3.91Å; L255-M262 HydrophobicContact CD2-CB 4.01Å; L255-M262 HydrophobicContact CD2-CE 4.42Å; L255-E263 HydrophobicContact CD1-CB 3.92Å; L255-E263 VanDerWaalsContact CD1-N 3.29Å; L255-L266 HydrophobicContact CD1-CD1 3.73Å; L255-L266 HydrophobicContact CD2-CD1 4.13Å; L255-L266 HydrophobicContact CG-CD1 3.89Å
256E95.2Very high96.7Very high135 Ų13556.7 Ų56.763%0.63128%0.278SS*.THydrogen-bonded Turntrans-50.6-36.2-172.6-176.6179.1-167.900114Q252 L253Q252-E256 PolarHBondContact O-N 3.27Å; L253-E256 PolarHBondContact O-N 2.91Å
257N94.3Very high96.8Very high96 Ų9659.4 Ų59.451%0.51329%0.293SS..THydrogen-bonded Turntrans-11931.5178.1-61.6-75.4000113.1W123 Q229 L255W123-N257 PolarHBondContact NE1-O 2.96Å; Q229-N257 HydrophobicContact CG-CB 3.97Å; L255-N257 PolarHBondContact O-N 2.88Å
258A96.8Very high96.9Very high9 Ų957.4 Ų57.47%0.07428%0.282CS..SBendtrans-130.8162177.500000110.6M228 L255 E260 M262M228-A258 HydrophobicContact SD-CB 3.71Å; L255-A258 HydrophobicContact CB-CB 4.34Å; L255-A258 HydrophobicContact CD2-CB 4.01Å; L255-A258 PolarHBondContact O-N 2.74Å; L255-A258 VanDerWaalsContact O-O 3.11Å; A258-E260 PolarHBondContact O-N 2.92Å; A258-M262 HydrophobicContact CB-SD 4.26Å
259P97.8Very high97Very high2 Ų251.8 Ų51.81%0.01325%0.252CS..  trans-55.5128.7173.7-2534.1000111.7W123 E261 M262 I290W123-P259 HydrophobicContact CD2-CG 4.01Å; W123-P259 HydrophobicContact CE3-CG 3.75Å; W123-P259 HydrophobicContact CH2-CG 4.44Å; W123-P259 HydrophobicContact CZ3-CG 3.98Å; P259-E261 WeakPolarHBondContact CB-OE2 3.46Å; P259-E261 PolarHBondContact O-N 2.7Å; P259-M262 HydrophobicContact CB-CG 4.39Å; P259-M262 WeakPolarHBondContact O-CB 3.38Å; P259-M262 WeakPolarHBondContact O-CG 3.23Å; P259-M262 PolarHBondContact O-N 3.39Å; P259-I290 HydrophobicContact CB-CD1 4.11Å; P259-I290 HydrophobicContact CB-CG2 3.71Å; P259-I290 HydrophobicContact CG-CG2 3.77Å
260E96.6Very high97.1Very high147 Ų14757.1 Ų57.169%0.68727%0.274SS*.THydrogen-bonded Turntrans-66.6-26.5-174.663.3176.6-162.300112.2A258 M262 E263A258-E260 PolarHBondContact O-N 2.92Å; E260-M262 PolarHBondContact O-N 3.04Å; E260-M262 VanDerWaalsContact O-N 3.12Å; E260-E263 WeakPolarHBondContact O-CB 3.14Å; E260-E263 PolarHBondContact O-N 3.34Å
261E97.7Very high97.2Very high42 Ų4257.9 Ų57.920%0.19628%0.281CS..THydrogen-bonded Turntrans-62-22.1177.6-5773.6-159.800112P259 E263 Y264 I290P259-E261 WeakPolarHBondContact CB-OE2 3.46Å; P259-E261 PolarHBondContact O-N 2.7Å; E261-E263 PolarHBondContact O-N 3.32Å; E261-E263 VanDerWaalsContact O-N 3.1Å; E261-Y264 HydrophobicContact CB-CD2 4.21Å; E261-Y264 HydrophobicContact CB-CE2 4.38Å; E261-Y264 WeakPolarHBondContact O-CB 3.34Å; E261-Y264 WeakPolarHBondContact O-CD2 3.37Å; E261-Y264 PolarHBondContact O-N 3.21Å; E261-I290 HydrophobicContact CB-CD1 3.88Å; E261-I290 HydrophobicContact CB-CG1 3.82Å; E261-I290 HydrophobicContact CG-CG1 4.32Å
262M98.5Very high97.3Very high0 Ų058 Ų580%028%0.281CS..Hα-helixtrans-59.4-20.9171.3-67.4-178.559.900112.1M221 I224 I225 M228 L255 A258 P259 E260 Y264 V265 L266 F287 I290M221-M262 HydrophobicContact CE-CB 4.29Å; M221-M262 HydrophobicContact CE-CE 3.53Å; I224-M262 HydrophobicContact CG2-CE 4.06Å; I225-M262 HydrophobicContact CG1-CE 4.06Å; M228-M262 HydrophobicContact CE-CE 4.46Å; M228-M262 HydrophobicContact CE-SD 3.77Å; M228-M262 HydrophobicContact SD-CE 4.46Å; M228-M262 HydrophobicContact SD-SD 3.82Å; L255-M262 HydrophobicContact CD1-CB 3.91Å; L255-M262 HydrophobicContact CD2-CB 4.01Å; L255-M262 HydrophobicContact CD2-CE 4.42Å; A258-M262 HydrophobicContact CB-SD 4.26Å; P259-M262 HydrophobicContact CB-CG 4.39Å; P259-M262 WeakPolarHBondContact O-CB 3.38Å; P259-M262 WeakPolarHBondContact O-CG 3.23Å; P259-M262 PolarHBondContact O-N 3.39Å; E260-M262 PolarHBondContact O-N 3.04Å; E260-M262 VanDerWaalsContact O-N 3.12Å; M262-Y264 PolarHBondContact O-N 3.25Å; M262-V265 PolarHBondContact O-N 2.72Å; M262-V265 VanDerWaalsContact O-N 3.07Å; M262-L266 PolarHBondContact O-N 3.5Å; M262-L266 VanDerWaalsContact O-N 3.16Å; M262-F287 HydrophobicContact CE-CE1 4.31Å; M262-F287 HydrophobicContact CG-CE1 4.22Å; M262-I290 HydrophobicContact CG-CD1 3.93Å
263E98.2Very high97.5Very high49 Ų4958.8 Ų58.823%0.22928%0.283CS..Hα-helixtrans-56-35.3173.2173.6158.5-15000112N251 Q252 L255 E260 E261 V265 L266 N267N251-E263 HydrophobicContact CB-CB 4.47Å; N251-E263 HydrophobicContact CB-CG 3.98Å; N251-E263 WeakPolarHBondContact CB-OE1 3.1Å; N251-E263 PolarHBondContact ND2-OE1 3.39Å; Q252-E263 PolarHBondContact NE2-OE1 3.09Å; Q252-E263 PolarHBondContact NE2-OE2 3.06Å; L255-E263 HydrophobicContact CD1-CB 3.92Å; L255-E263 VanDerWaalsContact CD1-N 3.29Å; E260-E263 WeakPolarHBondContact O-CB 3.14Å; E260-E263 PolarHBondContact O-N 3.34Å; E261-E263 PolarHBondContact O-N 3.32Å; E261-E263 VanDerWaalsContact O-N 3.1Å; E263-V265 VanDerWaalsContact C-N 3.28Å; E263-V265 PolarHBondContact O-N 3.18Å; E263-L266 PolarHBondContact O-N 2.87Å; E263-N267 WeakPolarHBondContact CG-ND2 3.47Å; E263-N267 WeakPolarHBondContact O-CB 3.1Å; E263-N267 PolarHBondContact O-N 2.98Å; E263-N267 PolarHBondContact O-ND2 2.69Å; E263-N267 PolarHBondContact OE1-ND2 3.48Å
264Y98.5Very high97.5Very high149 Ų14956.8 Ų56.858%0.58427%0.27SS*.Hα-helixtrans-60.7-39.4176.9-66.4-64.7000111.6E261 M262 Y268 L286E261-Y264 HydrophobicContact CB-CD2 4.21Å; E261-Y264 HydrophobicContact CB-CE2 4.38Å; E261-Y264 WeakPolarHBondContact O-CB 3.34Å; E261-Y264 WeakPolarHBondContact O-CD2 3.37Å; E261-Y264 PolarHBondContact O-N 3.21Å; M262-Y264 PolarHBondContact O-N 3.25Å; Y264-Y268 VanDerWaalsContact O-CB 3.27Å; Y264-Y268 WeakPolarHBondContact O-CB 3.48Å; Y264-Y268 PolarHBondContact O-N 2.83Å; Y264-L286 HydrophobicContact CD2-CD1 4.16Å; Y264-L286 HydrophobicContact CG-CD1 4.25Å
265V98.7Very high97.5Very high1 Ų161.4 Ų61.41%0.00629%0.291CS..Hα-helixtrans-67.7-45.3175.3-178.80000110.2M221 M262 E263 N267 Y268 L269 W282 I283 L286 F287M221-V265 HydrophobicContact CE-CB 4.07Å; M221-V265 HydrophobicContact CE-CG1 4.04Å; M221-V265 HydrophobicContact CG-CG1 4.25Å; M221-V265 HydrophobicContact SD-CB 4.32Å; M221-V265 HydrophobicContact SD-CG1 3.66Å; M262-V265 PolarHBondContact O-N 2.72Å; M262-V265 VanDerWaalsContact O-N 3.07Å; E263-V265 VanDerWaalsContact C-N 3.28Å; E263-V265 PolarHBondContact O-N 3.18Å; V265-N267 VanDerWaalsContact C-N 3.34Å; V265-N267 PolarHBondContact O-N 2.67Å; V265-Y268 WeakPolarHBondContact O-CB 3.31Å; V265-Y268 PolarHBondContact O-N 2.81Å; V265-L269 HydrophobicContact CG1-CD1 4.22Å; V265-L269 HydrophobicContact CG1-CG 4.19Å; V265-L269 VanDerWaalsContact O-CG 3.31Å; V265-L269 WeakPolarHBondContact O-CG 3.32Å; V265-L269 PolarHBondContact O-N 2.88Å; V265-W282 HydrophobicContact CG2-CZ3 4.33Å; V265-I283 HydrophobicContact CG1-CG1 4.4Å; V265-I283 HydrophobicContact CG1-CG2 3.99Å; V265-I283 HydrophobicContact CG2-CG2 4.19Å; V265-L286 HydrophobicContact CG2-CB 4.44Å; V265-L286 HydrophobicContact CG2-CD1 4Å; V265-L286 HydrophobicContact CG2-CD2 3.75Å; V265-L286 HydrophobicContact CG2-CG 4.28Å; V265-F287 HydrophobicContact CG2-CE1 4.47Å
266L98.6Very high97.5Very high0 Ų064.7 Ų64.70%031%0.306CS..Hα-helixtrans-59.1-45178.6-61-177.7000112W218 M221 I225 N251 L254 L255 M262 E263 L269 K270W218-L266 HydrophobicContact CH2-CB 4.49Å; W218-L266 HydrophobicContact CH2-CD2 4.36Å; W218-L266 HydrophobicContact CZ3-CD2 3.84Å; M221-L266 HydrophobicContact CB-CD2 3.96Å; M221-L266 HydrophobicContact CE-CD2 3.66Å; M221-L266 HydrophobicContact CE-CG 4.18Å; M221-L266 HydrophobicContact CG-CD2 4.02Å; I225-L266 HydrophobicContact CD1-CD2 4.41Å; N251-L266 HydrophobicContact CB-CD1 4.11Å; L254-L266 HydrophobicContact CD2-CD1 4Å; L255-L266 HydrophobicContact CD1-CD1 3.73Å; L255-L266 HydrophobicContact CD2-CD1 4.13Å; L255-L266 HydrophobicContact CG-CD1 3.89Å; M262-L266 PolarHBondContact O-N 3.5Å; M262-L266 VanDerWaalsContact O-N 3.16Å; E263-L266 PolarHBondContact O-N 2.87Å; L266-L269 PolarHBondContact O-N 2.9Å; L266-K270 WeakPolarHBondContact O-CB 3.36Å; L266-K270 PolarHBondContact O-N 3.44Å
267N98.3Very high97.6Very high71 Ų7164 Ų6438%0.3830%0.303SS..Hα-helixtrans-65.7-40.8176.8-75.4-30.2000111.9N251 E263 V265 K270 S271N251-N267 PolarHBondContact ND2-OD1 3.37Å; E263-N267 WeakPolarHBondContact CG-ND2 3.47Å; E263-N267 WeakPolarHBondContact O-CB 3.1Å; E263-N267 PolarHBondContact O-N 2.98Å; E263-N267 PolarHBondContact O-ND2 2.69Å; E263-N267 PolarHBondContact OE1-ND2 3.48Å; V265-N267 VanDerWaalsContact C-N 3.34Å; V265-N267 PolarHBondContact O-N 2.67Å; N267-K270 PolarHBondContact O-N 2.74Å; N267-S271 PolarHBondContact O-N 2.73Å; N267-S271 VanDerWaalsContact O-N 3.14Å
268Y98.6Very high97.8Very high45 Ų4559.6 Ų59.618%0.17628%0.279CS..Hα-helixtrans-57.8-53.6172.7170.1-112.6000111.4Y264 V265 K270 S271 M272 P278 H279 W282 I283Y264-Y268 VanDerWaalsContact O-CB 3.27Å; Y264-Y268 WeakPolarHBondContact O-CB 3.48Å; Y264-Y268 PolarHBondContact O-N 2.83Å; V265-Y268 WeakPolarHBondContact O-CB 3.31Å; V265-Y268 PolarHBondContact O-N 2.81Å; Y268-K270 VanDerWaalsContact C-N 3.26Å; Y268-K270 PolarHBondContact O-N 3.1Å; Y268-S271 PolarHBondContact O-N 3.08Å; Y268-S271 PolarHBondContact O-OG 3.35Å; Y268-M272 HydrophobicContact CD1-SD 4.38Å; Y268-M272 HydrophobicContact CE1-CG 4.37Å; Y268-M272 HydrophobicContact CE1-SD 3.67Å; Y268-M272 HydrophobicContact CE2-CG 4.21Å; Y268-M272 HydrophobicContact CE2-SD 4.42Å; Y268-M272 WeakPolarHBondContact O-CG 3.29Å; Y268-M272 PolarHBondContact O-N 3.24Å; Y268-P278 WeakPolarHBondContact OH-CA 3.36Å; Y268-H279 PolarHBondContact OH-CD2 3.3Å; Y268-H279 PolarHBondContact OH-N 2.9Å; Y268-W282 HydrophobicContact CD1-CE3 4.02Å; Y268-W282 AromaticContact CD1-CZ3 3.57Å; Y268-W282 HydrophobicContact CD1-CZ3 3.57Å; Y268-W282 HydrophobicContact CD2-CZ3 4.33Å; Y268-W282 HydrophobicContact CE1-CE3 4.37Å; Y268-W282 HydrophobicContact CE1-CZ3 4.36Å; Y268-W282 HydrophobicContact CG-CE3 4.21Å; Y268-W282 HydrophobicContact CG-CH2 4.19Å; Y268-W282 AromaticContact CG-CZ3 3.55Å; Y268-W282 HydrophobicContact CG-CZ3 3.55Å; Y268-I283 HydrophobicContact CD1-CD1 4.42Å; Y268-I283 HydrophobicContact CD1-CG1 4.39Å; Y268-I283 HydrophobicContact CE1-CD1 4.13Å; Y268-I283 HydrophobicContact CE1-CG1 4.32Å
269L98.5Very high97.9Very high3 Ų365 Ų652%0.01630%0.303CS..Hα-helixtrans-60.8-34.5179.5-62.8-176000112.4V214 L217 W218 M221 V265 L266 S271 M272 I283V214-L269 HydrophobicContact CG2-CB 4.06Å; V214-L269 HydrophobicContact CG2-CD2 4.05Å; V214-L269 WeakPolarHBondContact CG2-O 3.44Å; L217-L269 HydrophobicContact CB-CD1 4Å; L217-L269 HydrophobicContact CB-CD2 3.8Å; L217-L269 HydrophobicContact CD1-CD2 3.88Å; W218-L269 HydrophobicContact CD2-CB 4.38Å; W218-L269 HydrophobicContact CD2-CD1 4.25Å; W218-L269 HydrophobicContact CG-CD1 4.42Å; W218-L269 HydrophobicContact CZ2-CB 3.8Å; M221-L269 HydrophobicContact CG-CD1 3.66Å; V265-L269 HydrophobicContact CG1-CD1 4.22Å; V265-L269 HydrophobicContact CG1-CG 4.19Å; V265-L269 VanDerWaalsContact O-CG 3.31Å; V265-L269 WeakPolarHBondContact O-CG 3.32Å; V265-L269 PolarHBondContact O-N 2.88Å; L266-L269 PolarHBondContact O-N 2.9Å; L269-S271 VanDerWaalsContact C-N 3.28Å; L269-S271 PolarHBondContact O-N 2.97Å; L269-M272 HydrophobicContact CD2-SD 4.07Å; L269-M272 PolarHBondContact O-N 2.7Å; L269-I283 HydrophobicContact CD2-CD1 4.43Å
270K96.9Very high98Very high146 Ų14665.3 Ų65.364%0.63530%0.304SS*.Hα-helixtrans-66.8-29.3175.9-169.3173.2-175.2172.30112.8W218 L266 N267 Y268W218-K270 HydrophobicContact CZ2-CB 4.16Å; L266-K270 WeakPolarHBondContact O-CB 3.36Å; L266-K270 PolarHBondContact O-N 3.44Å; N267-K270 PolarHBondContact O-N 2.74Å; Y268-K270 VanDerWaalsContact C-N 3.26Å; Y268-K270 PolarHBondContact O-N 3.1Å
271S97.6Very high98.1Very high83 Ų8366.3 Ų66.358%0.5831%0.306SS*.Hα-helixtrans-81.9-16.3179.776.20000114N267 Y268 L269N267-S271 PolarHBondContact O-N 2.73Å; N267-S271 VanDerWaalsContact O-N 3.14Å; Y268-S271 PolarHBondContact O-N 3.08Å; Y268-S271 PolarHBondContact O-OG 3.35Å; L269-S271 VanDerWaalsContact C-N 3.28Å; L269-S271 PolarHBondContact O-N 2.97Å
272M98.3Very high98.1Very high21 Ų2169 Ų6910%0.10331%0.314CS..  trans-72.3147.1-175.2-71.6-169.870.700113.4V214 Y268 L269 E276 P278V214-M272 HydrophobicContact CB-CB 4.22Å; V214-M272 HydrophobicContact CB-CE 4.38Å; V214-M272 HydrophobicContact CB-SD 4.14Å; V214-M272 HydrophobicContact CG2-CB 3.83Å; V214-M272 HydrophobicContact CG2-CG 4.31Å; V214-M272 HydrophobicContact CG2-SD 3.84Å; Y268-M272 HydrophobicContact CD1-SD 4.38Å; Y268-M272 HydrophobicContact CE1-CG 4.37Å; Y268-M272 HydrophobicContact CE1-SD 3.67Å; Y268-M272 HydrophobicContact CE2-CG 4.21Å; Y268-M272 HydrophobicContact CE2-SD 4.42Å; Y268-M272 WeakPolarHBondContact O-CG 3.29Å; Y268-M272 PolarHBondContact O-N 3.24Å; L269-M272 HydrophobicContact CD2-SD 4.07Å; L269-M272 PolarHBondContact O-N 2.7Å; M272-E276 WeakPolarHBondContact CA-OE2 3.07Å; M272-E276 HydrophobicContact CE-CB 3.9Å; M272-P278 HydrophobicContact CE-CB 4.04Å; M272-P278 HydrophobicContact CE-CG 3.83Å; M272-P278 HydrophobicContact SD-CB 4.33Å; M272-P278 HydrophobicContact SD-CG 4.46Å
273K97Very high98.1Very high134 Ų13469.1 Ų69.158%0.58332%0.315SS*.  trans-98.4163.8173-59.5172.7-174.7166.40111.3E275 E276K273-E275 PolarHBondContact O-N 2.82Å; K273-E276 HydrophobicContact CB-CG 4.05Å; K273-E276 PolarHBondContact N-OE2 2.75Å; K273-E276 PolarHBondContact O-N 3.35Å
274Y96.8Very high98.2Very high43 Ų4367.7 Ų67.717%0.16931%0.309CS..THydrogen-bonded Turntrans-56.4-44-177.2167.7-101.1000113.8I185 R186 P188 E210 E276I185-Y274 HydrophobicContact CG2-CE1 3.8Å; R186-Y274 VanDerWaalsContact O-CE1 3.28Å; R186-Y274 WeakPolarHBondContact O-CE1 3.23Å; R186-Y274 PolarHBondContact O-OH 3.4Å; P188-Y274 HydrophobicContact CG-CD1 3.72Å; P188-Y274 HydrophobicContact CG-CE1 3.62Å; P188-Y274 HydrophobicContact CG-CG 4.24Å; E210-Y274 HydrophobicContact CB-CE2 4.11Å; E210-Y274 HydrophobicContact CG-CE2 3.61Å; Y274-E276 VanDerWaalsContact C-N 3.33Å
275E96.8Very high98.2Very high104 Ų10463.1 Ų63.149%0.48630%0.298SS..THydrogen-bonded Turntrans-80.5-12.6-176.3-56.584.6-17500114I185 R213 K273I185-E275 HydrophobicContact CG1-CB 4.47Å; I185-E275 HydrophobicContact CG2-CB 4.31Å; I185-E275 HydrophobicContact CG2-CG 4.1Å; R213-E275 PolarHBondContact NH2-O 3.47Å; K273-E275 PolarHBondContact O-N 2.82Å
276E97.6Very high98.2Very high78 Ų7864 Ų6436%0.36430%0.303SS..PPolyproline II helixtrans-70.8148.3-169.8-72.7176.7153.300112.2R213 M272 K273 Y274R213-E276 PolarHBondContact NE-O 2.72Å; R213-E276 VanDerWaalsContact NE-O 3.1Å; R213-E276 PolarHBondContact NH2-O 3.13Å; R213-E276 VanDerWaalsContact NH2-O 3.08Å; M272-E276 WeakPolarHBondContact CA-OE2 3.07Å; M272-E276 HydrophobicContact CE-CB 3.9Å; K273-E276 HydrophobicContact CB-CG 4.05Å; K273-E276 PolarHBondContact N-OE2 2.75Å; K273-E276 PolarHBondContact O-N 3.35Å; Y274-E276 VanDerWaalsContact C-N 3.33Å
277Q98.1Very high98.2Very high121 Ų12164 Ų6457%0.56530%0.303SS*.PPolyproline II helixtrans-90.3124.1171.4-179.9169.6-26.200108.3Y280Q277-Y280 HydrophobicContact CG-CE2 4.22Å
278P98.6Very high98.2Very high3 Ų364.4 Ų64.42%0.01930%0.303CS..PPolyproline II helixtrans-60.5145.7173.6-18.726.9000112.4R213 L217 Y268 M272 Y280R213-P278 HydrophobicContact CB-CG 3.88Å; L217-P278 HydrophobicContact CD1-CB 3.3Å; L217-P278 HydrophobicContact CD1-CG 3.47Å; L217-P278 VanDerWaalsContact CD1-CG 3.47Å; Y268-P278 WeakPolarHBondContact OH-CA 3.36Å; M272-P278 HydrophobicContact CE-CB 4.04Å; M272-P278 HydrophobicContact CE-CG 3.83Å; M272-P278 HydrophobicContact SD-CB 4.33Å; M272-P278 HydrophobicContact SD-CG 4.46Å; P278-Y280 VanDerWaalsContact C-N 3.28Å; P278-Y280 HydrophobicContact CB-CD1 4.11Å; P278-Y280 HydrophobicContact CB-CE1 3.75Å; P278-Y280 HydrophobicContact CB-CE2 4.37Å; P278-Y280 WeakPolarHBondContact CD-OH 3.46Å; P278-Y280 HydrophobicContact CG-CE1 3.82Å; P278-Y280 VanDerWaalsContact O-CD2 3.3Å; P278-Y280 WeakPolarHBondContact O-CD2 3.29Å; P278-Y280 WeakPolarHBondContact O-CE2 3.4Å; P278-Y280 PolarHBondContact O-N 3.43Å; P278-Y280 VanDerWaalsContact O-N 3.08Å
279H98.5Very high98.2Very high124 Ų12464.7 Ų64.757%0.57432%0.315SS*.  trans-82.671.5171.1-73.7-135.8000109.6Y268 K281 W282 I283Y268-H279 PolarHBondContact OH-CD2 3.3Å; Y268-H279 PolarHBondContact OH-N 2.9Å; H279-K281 VanDerWaalsContact C-N 3.3Å; H279-K281 PolarHBondContact O-N 2.52Å; H279-W282 HydrophobicContact CB-CB 3.87Å; H279-W282 WeakPolarHBondContact O-CB 3.31Å; H279-W282 PolarHBondContact O-N 2.88Å; H279-I283 PolarHBondContact O-N 2.9Å; H279-I283 VanDerWaalsContact O-N 3.15Å
280Y98.8Very high98.2Very high8 Ų864.7 Ų64.73%0.03132%0.315CS..Hα-helixtrans-51.8-46.2-175.1-53-77.6000112.9V134 V137 E138 H141 L217 Q277 P278 W282 I283 I284V134-Y280 HydrophobicContact CG1-CD1 4.03Å; V134-Y280 HydrophobicContact CG1-CG 4.48Å; V137-Y280 HydrophobicContact CG1-CE1 4.29Å; E138-Y280 HydrophobicContact CB-CD1 3.97Å; E138-Y280 HydrophobicContact CB-CD2 4.08Å; E138-Y280 HydrophobicContact CB-CE1 4.26Å; E138-Y280 HydrophobicContact CB-CE2 4.36Å; E138-Y280 HydrophobicContact CB-CG 3.89Å; E138-Y280 VanDerWaalsContact CD-CD2 3.49Å; E138-Y280 HydrophobicContact CG-CD1 4.47Å; E138-Y280 HydrophobicContact CG-CD2 3.66Å; E138-Y280 HydrophobicContact CG-CE2 3.95Å; E138-Y280 HydrophobicContact CG-CG 3.95Å; E138-Y280 VanDerWaalsContact OE1-CD2 3.32Å; E138-Y280 WeakPolarHBondContact OE1-CD2 3.48Å; H141-Y280 WeakPolarHBondContact CB-OH 3.32Å; H141-Y280 AromaticContact ND1-CE1 3.76Å; H141-Y280 AromaticContact ND1-CZ 3.61Å; H141-Y280 PolarHBondContact ND1-OH 3.23Å; L217-Y280 HydrophobicContact CD1-CD1 4.5Å; L217-Y280 HydrophobicContact CD1-CE1 4.27Å; L217-Y280 HydrophobicContact CD2-CD1 4.48Å; L217-Y280 HydrophobicContact CD2-CE1 4.5Å; Q277-Y280 HydrophobicContact CG-CE2 4.22Å; P278-Y280 VanDerWaalsContact C-N 3.28Å; P278-Y280 HydrophobicContact CB-CD1 4.11Å; P278-Y280 HydrophobicContact CB-CE1 3.75Å; P278-Y280 HydrophobicContact CB-CE2 4.37Å; P278-Y280 WeakPolarHBondContact CD-OH 3.46Å; P278-Y280 HydrophobicContact CG-CE1 3.82Å; P278-Y280 VanDerWaalsContact O-CD2 3.3Å; P278-Y280 WeakPolarHBondContact O-CD2 3.29Å; P278-Y280 WeakPolarHBondContact O-CE2 3.4Å; P278-Y280 PolarHBondContact O-N 3.43Å; P278-Y280 VanDerWaalsContact O-N 3.08Å; Y280-W282 VanDerWaalsContact C-N 3.28Å; Y280-W282 PolarHBondContact O-N 3.44Å; Y280-I283 WeakPolarHBondContact O-CB 3.4Å; Y280-I283 PolarHBondContact O-N 2.86Å; Y280-I283 VanDerWaalsContact O-N 3.17Å; Y280-I284 WeakPolarHBondContact O-CG1 3.28Å; Y280-I284 PolarHBondContact O-N 3.18Å
281K98.7Very high98.3Very high167 Ų16757.9 Ų57.973%0.72629%0.285SS*.Hα-helixtrans-59-36.6177.2-65.4-173.4178.9-176.10113.4H279 S285H279-K281 VanDerWaalsContact C-N 3.3Å; H279-K281 PolarHBondContact O-N 2.52Å; K281-S285 WeakPolarHBondContact O-CB 3.36Å; K281-S285 PolarHBondContact O-N 2.77Å; K281-S285 PolarHBondContact O-OG 2.92Å
282W98.7Very high98.3Very high99 Ų9961.4 Ų61.438%0.37529%0.292SS..Hα-helixtrans-69.2-43.5177.6174.578.5000110.9V265 Y268 H279 Y280 I284 S285 L286V265-W282 HydrophobicContact CG2-CZ3 4.33Å; Y268-W282 HydrophobicContact CD1-CE3 4.02Å; Y268-W282 AromaticContact CD1-CZ3 3.57Å; Y268-W282 HydrophobicContact CD1-CZ3 3.57Å; Y268-W282 HydrophobicContact CD2-CZ3 4.33Å; Y268-W282 HydrophobicContact CE1-CE3 4.37Å; Y268-W282 HydrophobicContact CE1-CZ3 4.36Å; Y268-W282 HydrophobicContact CG-CE3 4.21Å; Y268-W282 HydrophobicContact CG-CH2 4.19Å; Y268-W282 AromaticContact CG-CZ3 3.55Å; Y268-W282 HydrophobicContact CG-CZ3 3.55Å; H279-W282 HydrophobicContact CB-CB 3.87Å; H279-W282 WeakPolarHBondContact O-CB 3.31Å; H279-W282 PolarHBondContact O-N 2.88Å; Y280-W282 VanDerWaalsContact C-N 3.28Å; Y280-W282 PolarHBondContact O-N 3.44Å; W282-I284 VanDerWaalsContact C-N 3.33Å; W282-I284 PolarHBondContact O-N 3.08Å; W282-S285 WeakPolarHBondContact CA-OG 3.36Å; W282-S285 PolarHBondContact O-N 2.91Å; W282-S285 PolarHBondContact O-OG 2.78Å; W282-L286 HydrophobicContact CH2-CD1 4.21Å; W282-L286 HydrophobicContact CZ2-CD1 4.07Å; W282-L286 PolarHBondContact O-N 2.73Å
283I98.9Very high98.3Very high3 Ų366.6 Ų66.62%0.01532%0.317CS..Hα-helixtrans-58.8-46.9175.4-58.9171.2000110.2V134 L217 V265 Y268 L269 H279 Y280 L286 F287V134-I283 HydrophobicContact CG1-CB 4.5Å; V134-I283 HydrophobicContact CG2-CG2 3.88Å; L217-I283 HydrophobicContact CD1-CD1 3.7Å; L217-I283 HydrophobicContact CD2-CD1 4.44Å; V265-I283 HydrophobicContact CG1-CG1 4.4Å; V265-I283 HydrophobicContact CG1-CG2 3.99Å; V265-I283 HydrophobicContact CG2-CG2 4.19Å; Y268-I283 HydrophobicContact CD1-CD1 4.42Å; Y268-I283 HydrophobicContact CD1-CG1 4.39Å; Y268-I283 HydrophobicContact CE1-CD1 4.13Å; Y268-I283 HydrophobicContact CE1-CG1 4.32Å; L269-I283 HydrophobicContact CD2-CD1 4.43Å; H279-I283 PolarHBondContact O-N 2.9Å; H279-I283 VanDerWaalsContact O-N 3.15Å; Y280-I283 WeakPolarHBondContact O-CB 3.4Å; Y280-I283 PolarHBondContact O-N 2.86Å; Y280-I283 VanDerWaalsContact O-N 3.17Å; I283-L286 WeakPolarHBondContact O-CB 3.41Å; I283-L286 PolarHBondContact O-N 3.03Å; I283-F287 HydrophobicContact CG2-CD2 4.22Å; I283-F287 HydrophobicContact CG2-CE2 3.56Å; I283-F287 HydrophobicContact CG2-CZ 3.99Å; I283-F287 WeakPolarHBondContact O-CD2 3.3Å; I283-F287 PolarHBondContact O-N 3.32Å
284I98.9Very high98.4Very high18 Ų1863.4 Ų63.49%0.09230%0.303CS..Hα-helixtrans-59.5-49.1176.5-69.9166.9000110.7I131 V134 E135 Y280 W282 L286 F287 E288I131-I284 HydrophobicContact CG1-CG2 4.33Å; I131-I284 HydrophobicContact CG2-CG1 4.39Å; I131-I284 HydrophobicContact CG2-CG2 3.92Å; V134-I284 HydrophobicContact CB-CD1 4.37Å; V134-I284 HydrophobicContact CB-CG1 4.01Å; V134-I284 HydrophobicContact CG1-CD1 3.99Å; V134-I284 HydrophobicContact CG1-CG1 3.81Å; E135-I284 HydrophobicContact CG-CD1 3.82Å; Y280-I284 WeakPolarHBondContact O-CG1 3.28Å; Y280-I284 PolarHBondContact O-N 3.18Å; W282-I284 VanDerWaalsContact C-N 3.33Å; W282-I284 PolarHBondContact O-N 3.08Å; I284-L286 PolarHBondContact O-N 2.94Å; I284-L286 VanDerWaalsContact O-N 3.17Å; I284-F287 PolarHBondContact O-N 2.79Å; I284-E288 HydrophobicContact CG2-CG 4.25Å; I284-E288 WeakPolarHBondContact O-CG 3.32Å; I284-E288 PolarHBondContact O-N 3.1Å
285S98.7Very high98.4Very high53 Ų5368.9 Ų68.937%0.37133%0.331SS..Hα-helixtrans-60.9-28.4-179.670.20000113.3K281 W282 A289K281-S285 WeakPolarHBondContact O-CB 3.36Å; K281-S285 PolarHBondContact O-N 2.77Å; K281-S285 PolarHBondContact O-OG 2.92Å; W282-S285 WeakPolarHBondContact CA-OG 3.36Å; W282-S285 PolarHBondContact O-N 2.91Å; W282-S285 PolarHBondContact O-OG 2.78Å; S285-A289 WeakPolarHBondContact O-CB 3.31Å; S285-A289 PolarHBondContact O-N 3.45Å
286L98.8Very high98.5Very high21 Ų2166.8 Ų66.811%0.1132%0.319CS..Hα-helixtrans-70.9-44.2174.7-173.9145.8000111.3Y264 V265 W282 I283 I284 E288 A289 I290Y264-L286 HydrophobicContact CD2-CD1 4.16Å; Y264-L286 HydrophobicContact CG-CD1 4.25Å; V265-L286 HydrophobicContact CG2-CB 4.44Å; V265-L286 HydrophobicContact CG2-CD1 4Å; V265-L286 HydrophobicContact CG2-CD2 3.75Å; V265-L286 HydrophobicContact CG2-CG 4.28Å; W282-L286 HydrophobicContact CH2-CD1 4.21Å; W282-L286 HydrophobicContact CZ2-CD1 4.07Å; W282-L286 PolarHBondContact O-N 2.73Å; I283-L286 WeakPolarHBondContact O-CB 3.41Å; I283-L286 PolarHBondContact O-N 3.03Å; I284-L286 PolarHBondContact O-N 2.94Å; I284-L286 VanDerWaalsContact O-N 3.17Å; L286-E288 VanDerWaalsContact C-N 3.3Å; L286-E288 PolarHBondContact O-N 3.34Å; L286-A289 PolarHBondContact O-N 2.66Å; L286-I290 HydrophobicContact CD2-CD1 3.63Å; L286-I290 HydrophobicContact CD2-CG1 4.36Å; L286-I290 WeakPolarHBondContact O-CG1 3.48Å; L286-I290 PolarHBondContact O-N 3.32Å; L286-I290 VanDerWaalsContact O-N 3.08Å
287F98.8Very high98.5Very high0 Ų067.8 Ų67.80%032%0.323CS..Hα-helixtrans-63.7-37.7174-62-42000112.1L127 A130 I131 V134 M221 M262 V265 I283 I284 I290 M291L127-F287 HydrophobicContact CD2-CB 4.33Å; L127-F287 HydrophobicContact CD2-CD1 3.93Å; L127-F287 HydrophobicContact CD2-CG 4.47Å; A130-F287 HydrophobicContact CB-CD1 4.49Å; A130-F287 HydrophobicContact CB-CD2 3.78Å; A130-F287 HydrophobicContact CB-CE1 4.38Å; A130-F287 HydrophobicContact CB-CE2 3.62Å; A130-F287 HydrophobicContact CB-CG 4.23Å; A130-F287 HydrophobicContact CB-CZ 3.95Å; I131-F287 HydrophobicContact CD1-CB 4.13Å; I131-F287 HydrophobicContact CG1-CB 3.75Å; I131-F287 HydrophobicContact CG1-CD2 4.19Å; I131-F287 HydrophobicContact CG1-CG 4.45Å; V134-F287 HydrophobicContact CG2-CE2 4.09Å; M221-F287 HydrophobicContact CE-CZ 4.45Å; M221-F287 HydrophobicContact SD-CZ 3.83Å; M262-F287 HydrophobicContact CE-CE1 4.31Å; M262-F287 HydrophobicContact CG-CE1 4.22Å; V265-F287 HydrophobicContact CG2-CE1 4.47Å; I283-F287 HydrophobicContact CG2-CD2 4.22Å; I283-F287 HydrophobicContact CG2-CE2 3.56Å; I283-F287 HydrophobicContact CG2-CZ 3.99Å; I283-F287 WeakPolarHBondContact O-CD2 3.3Å; I283-F287 PolarHBondContact O-N 3.32Å; I284-F287 PolarHBondContact O-N 2.79Å; F287-I290 HydrophobicContact CD1-CD1 4.41Å; F287-I290 PolarHBondContact O-N 3.47Å; F287-M291 WeakPolarHBondContact O-CG 3.49Å; F287-M291 PolarHBondContact O-N 3.19Å
288E98.7Very high98.5Very high78 Ų7867.1 Ų67.136%0.36432%0.32SS..Hα-helixtrans-64.7-38.1173.8-68.9175154.500112.1I131 I284 L286 M291 Q292 H298I131-E288 HydrophobicContact CD1-CG 3.74Å; I284-E288 HydrophobicContact CG2-CG 4.25Å; I284-E288 WeakPolarHBondContact O-CG 3.32Å; I284-E288 PolarHBondContact O-N 3.1Å; L286-E288 VanDerWaalsContact C-N 3.3Å; L286-E288 PolarHBondContact O-N 3.34Å; E288-M291 WeakPolarHBondContact O-CB 3.41Å; E288-M291 PolarHBondContact O-N 2.82Å; E288-Q292 PolarHBondContact O-N 2.91Å; E288-H298 IonicContact OE1-CE1 3.05Å; E288-H298 IonicContact OE1-NE2 2.96Å
289A98.7Very high98.4Very high52 Ų5272.8 Ų72.843%0.4335%0.35SS..Hα-helixtrans-63.7-43.6175.200000112S285 L286 M291 Q292 E293S285-A289 WeakPolarHBondContact O-CB 3.31Å; S285-A289 PolarHBondContact O-N 3.45Å; L286-A289 PolarHBondContact O-N 2.66Å; A289-M291 VanDerWaalsContact C-N 3.32Å; A289-M291 PolarHBondContact O-N 3.27Å; A289-Q292 WeakPolarHBondContact O-CB 3.41Å; A289-Q292 PolarHBondContact O-N 2.86Å; A289-E293 PolarHBondContact O-N 2.97Å
290I98.6Very high98.4Very high2 Ų269 Ų691%0.0133%0.334CS..Hα-helixtrans-61-43.7173.5-61.4165.6000110.1L127 P259 E261 M262 L286 F287 Q292 E293 H294L127-I290 HydrophobicContact CD1-CB 4.25Å; L127-I290 HydrophobicContact CD1-CG2 3.6Å; L127-I290 HydrophobicContact CD2-CB 4.29Å; L127-I290 HydrophobicContact CD2-CD1 4.15Å; L127-I290 HydrophobicContact CD2-CG2 4.11Å; P259-I290 HydrophobicContact CB-CD1 4.11Å; P259-I290 HydrophobicContact CB-CG2 3.71Å; P259-I290 HydrophobicContact CG-CG2 3.77Å; E261-I290 HydrophobicContact CB-CD1 3.88Å; E261-I290 HydrophobicContact CB-CG1 3.82Å; E261-I290 HydrophobicContact CG-CG1 4.32Å; M262-I290 HydrophobicContact CG-CD1 3.93Å; L286-I290 HydrophobicContact CD2-CD1 3.63Å; L286-I290 HydrophobicContact CD2-CG1 4.36Å; L286-I290 WeakPolarHBondContact O-CG1 3.48Å; L286-I290 PolarHBondContact O-N 3.32Å; L286-I290 VanDerWaalsContact O-N 3.08Å; F287-I290 HydrophobicContact CD1-CD1 4.41Å; F287-I290 PolarHBondContact O-N 3.47Å; I290-Q292 VanDerWaalsContact C-N 3.31Å; I290-Q292 PolarHBondContact O-N 3.4Å; I290-E293 PolarHBondContact O-N 3.3Å; I290-H294 PolarHBondContact O-CD2 3.42Å; I290-H294 VanDerWaalsContact O-CD2 3.27Å; I290-H294 PolarHBondContact O-N 3.37Å; I290-H294 VanDerWaalsContact O-N 3.13Å
291M98.7Very high98.3Very high4 Ų471 Ų712%0.0235%0.348CS..Hα-helixtrans-58.9-43.7176.1-75.1174.753.500111.9L127 R128 I131 F287 E288 A289 H294 E295 Y296L127-M291 HydrophobicContact CB-CG 3.88Å; L127-M291 HydrophobicContact CB-SD 4.23Å; L127-M291 HydrophobicContact CD1-CG 3.95Å; R128-M291 HydrophobicContact CG-CE 3.57Å; R128-M291 HydrophobicContact CG-SD 3.61Å; I131-M291 HydrophobicContact CD1-SD 3.66Å; F287-M291 WeakPolarHBondContact O-CG 3.49Å; F287-M291 PolarHBondContact O-N 3.19Å; E288-M291 WeakPolarHBondContact O-CB 3.41Å; E288-M291 PolarHBondContact O-N 2.82Å; A289-M291 VanDerWaalsContact C-N 3.32Å; A289-M291 PolarHBondContact O-N 3.27Å; M291-H294 CarbonylContact O-C 3.48Å; M291-H294 PolarHBondContact O-N 3.4Å; M291-E295 PolarHBondContact O-N 2.77Å; M291-Y296 HydrophobicContact CG-CD2 4.41Å; M291-Y296 PolarHBondContact O-N 2.89Å
292Q98.3Very high98.3Very high156 Ų15663.5 Ų63.573%0.72932%0.315SS*.Hα-helixtrans-62.3-42.9178.5-176.5178.6-0.800112E288 A289 I290 H294 E295E288-Q292 PolarHBondContact O-N 2.91Å; A289-Q292 WeakPolarHBondContact O-CB 3.41Å; A289-Q292 PolarHBondContact O-N 2.86Å; I290-Q292 VanDerWaalsContact C-N 3.31Å; I290-Q292 PolarHBondContact O-N 3.4Å; Q292-H294 VanDerWaalsContact C-N 3.28Å; Q292-H294 PolarHBondContact O-N 3.36Å; Q292-E295 PolarHBondContact O-N 3.01Å; Q292-E295 VanDerWaalsContact O-N 3.15Å
293E98.2Very high98.3Very high131 Ų13160.3 Ų60.361%0.61231%0.306SS*.Hα-helixtrans-61.7-36.5177.2178.8168.5-171.600112.6A289 I290 E295A289-E293 PolarHBondContact O-N 2.97Å; I290-E293 PolarHBondContact O-N 3.3Å; E293-E295 VanDerWaalsContact C-N 3.34Å
294H98Very high98.2Very high66 Ų6660.6 Ų60.631%0.30631%0.306SS..THydrogen-bonded Turntrans-90.78.9176.6-71.7-76.5000114.4W123 I290 M291 Q292 Y296W123-H294 AromaticContact CE3-CE1 3.89Å; W123-H294 AromaticContact CE3-NE2 3.83Å; W123-H294 AromaticContact CZ3-CE1 3.59Å; W123-H294 AromaticContact CZ3-NE2 3.63Å; I290-H294 PolarHBondContact O-CD2 3.42Å; I290-H294 VanDerWaalsContact O-CD2 3.27Å; I290-H294 PolarHBondContact O-N 3.37Å; I290-H294 VanDerWaalsContact O-N 3.13Å; M291-H294 CarbonylContact O-C 3.48Å; M291-H294 PolarHBondContact O-N 3.4Å; Q292-H294 VanDerWaalsContact C-N 3.28Å; Q292-H294 PolarHBondContact O-N 3.36Å; H294-Y296 HydrophobicContact CB-CD1 4.2Å; H294-Y296 HydrophobicContact CB-CD2 3.64Å; H294-Y296 HydrophobicContact CB-CE1 3.96Å; H294-Y296 HydrophobicContact CB-CE2 3.34Å; H294-Y296 HydrophobicContact CB-CG 4.06Å; H294-Y296 AromaticContact CG-CE2 3.89Å; H294-Y296 WeakPolarHBondContact O-CD1 3.39Å; H294-Y296 PolarHBondContact O-N 3.05Å; H294-Y296 VanDerWaalsContact O-N 3.15Å
295E98.2Very high98.1Very high159 Ų15960.4 Ų60.474%0.74331%0.305SS*.THydrogen-bonded Turntrans57.721.3-178.2-54.3-175.5151.400115M291 Q292 E293 Q297M291-E295 PolarHBondContact O-N 2.77Å; Q292-E295 PolarHBondContact O-N 3.01Å; Q292-E295 VanDerWaalsContact O-N 3.15Å; E293-E295 VanDerWaalsContact C-N 3.34Å; E295-Q297 PolarHBondContact O-NE2 3.37Å; E295-Q297 VanDerWaalsContact O-NE2 3.1Å
296Y98.5Very high97.9Very high59 Ų5960.5 Ų60.523%0.23130%0.301CS..  trans-73.9137.2176.9-58.9-31.4000111.7W123 N124 L127 M291 H294W123-Y296 HydrophobicContact CB-CE2 4.01Å; N124-Y296 HydrophobicContact CB-CD1 3.67Å; N124-Y296 HydrophobicContact CB-CD2 3.78Å; N124-Y296 HydrophobicContact CB-CE1 3.85Å; N124-Y296 HydrophobicContact CB-CE2 3.98Å; N124-Y296 HydrophobicContact CB-CG 3.63Å; N124-Y296 WeakPolarHBondContact ND2-CD1 3.33Å; L127-Y296 HydrophobicContact CD1-CD2 4.09Å; L127-Y296 HydrophobicContact CD1-CE2 4.18Å; M291-Y296 HydrophobicContact CG-CD2 4.41Å; M291-Y296 PolarHBondContact O-N 2.89Å; H294-Y296 HydrophobicContact CB-CD1 4.2Å; H294-Y296 HydrophobicContact CB-CD2 3.64Å; H294-Y296 HydrophobicContact CB-CE1 3.96Å; H294-Y296 HydrophobicContact CB-CE2 3.34Å; H294-Y296 HydrophobicContact CB-CG 4.06Å; H294-Y296 AromaticContact CG-CE2 3.89Å; H294-Y296 WeakPolarHBondContact O-CD1 3.39Å; H294-Y296 PolarHBondContact O-N 3.05Å; H294-Y296 VanDerWaalsContact O-N 3.15Å
297Q98Very high97.7Very high99 Ų9963.5 Ų63.546%0.46332%0.322SS..  trans-107.1149.7-178.8-54-56.8-52.600112.2R128 E295 D299 D300R128-Q297 PolarHBondContact NH1-O 3.04Å; E295-Q297 PolarHBondContact O-NE2 3.37Å; E295-Q297 VanDerWaalsContact O-NE2 3.1Å; Q297-D299 WeakPolarHBondContact CB-OD1 3.34Å; Q297-D299 PolarHBondContact O-N 2.87Å; Q297-D300 PolarHBondContact N-OD2 3.01Å; Q297-D300 WeakPolarHBondContact O-CB 3.48Å; Q297-D300 PolarHBondContact O-N 3.42Å
298H97.1Very high97.5Very high107 Ų10767.7 Ų67.750%0.49534%0.34SS..THydrogen-bonded Turntrans-64.7-23.3176.6-75.9-84.3000113.3R165 E288R165-H298 PolarHBondContact NH2-O 2.89Å; E288-H298 IonicContact OE1-CE1 3.05Å; E288-H298 IonicContact OE1-NE2 2.96Å
299D96.6Very high97.3Very high123 Ų12367.6 Ų67.666%0.65834%0.342SS*.THydrogen-bonded Turntrans-95.5-2.5179.768.7-25.9000113.8R165 Q297R165-D299 PolarHBondContact NH1-O 3.36Å; R165-D299 VanDerWaalsContact NH2-C 3.29Å; R165-D299 PolarHBondContact NH2-O 3.34Å; Q297-D299 WeakPolarHBondContact CB-OD1 3.34Å; Q297-D299 PolarHBondContact O-N 2.87Å
300D98.2Very high97Very high44 Ų4471.6 Ų71.624%0.23535%0.349CS..SBendtrans-51.8151.9174.2-79.6-30.2000111N124 R128 R165 Q297N124-D300 PolarHBondContact ND2-OD2 3.24Å; R128-D300 VanDerWaalsContact NH1-C 3.29Å; R128-D300 VanDerWaalsContact NH1-CB 3.31Å; R128-D300 PolarHBondContact NH1-O 3.25Å; R165-D300 PolarHBondContact NH1-O 3.07Å; R165-D300 PolarHBondContact NH2-O 3.03Å; Q297-D300 PolarHBondContact N-OD2 3.01Å; Q297-D300 WeakPolarHBondContact O-CB 3.48Å; Q297-D300 PolarHBondContact O-N 3.42Å
301P97.7Very high96.7Very high50 Ų5078.2 Ų78.233%0.32538%0.378SS..PPolyproline II helixtrans-65140.4171.527.2-33.2000110.4R128 Q305 I306 L309R128-P301 PolarHBondContact NH2-O 3.43Å; P301-Q305 HydrophobicContact CB-CB 4.21Å; P301-I306 HydrophobicContact CB-CG1 4.33Å; P301-I306 HydrophobicContact CG-CG1 4.4Å; P301-L309 HydrophobicContact CB-CD1 3.57Å; P301-L309 HydrophobicContact CG-CD1 4.08Å
302Y98.2Very high96.4Very high9 Ų984.1 Ų84.14%0.03540%0.404CS..PPolyproline II helixtrans-72.4157.7163.6-72.8-77.9000110.7T125 R128 I129 Q132 R165 W304 Q305 I306T125-Y302 HydrophobicContact CG2-CD1 3.88Å; R128-Y302 HydrophobicContact CB-CE1 3.77Å; I129-Y302 HydrophobicContact CG1-CE1 4.42Å; Q132-Y302 PolarHBondContact NE2-OH 2.8Å; R165-Y302 HydrophobicContact CB-CE2 4.1Å; R165-Y302 HydrophobicContact CG-CD2 4.5Å; R165-Y302 HydrophobicContact CG-CE2 4.4Å; Y302-W304 AromaticContact CD1-CH2 3.29Å; Y302-W304 HydrophobicContact CD1-CH2 3.29Å; Y302-W304 AromaticContact CD1-CZ2 3.59Å; Y302-W304 HydrophobicContact CD1-CZ2 3.59Å; Y302-W304 AromaticContact CD1-CZ3 3.92Å; Y302-W304 HydrophobicContact CD1-CZ3 3.92Å; Y302-W304 HydrophobicContact CD2-CH2 4.11Å; Y302-W304 AromaticContact CD2-CZ2 3.5Å; Y302-W304 HydrophobicContact CD2-CZ2 3.5Å; Y302-W304 AromaticContact CE1-CH2 3.86Å; Y302-W304 HydrophobicContact CE1-CH2 3.86Å; Y302-W304 HydrophobicContact CE1-CZ2 4.22Å; Y302-W304 HydrophobicContact CE2-CZ2 4.16Å; Y302-W304 HydrophobicContact CG-CD2 4.38Å; Y302-W304 AromaticContact CG-CE2 3.69Å; Y302-W304 AromaticContact CG-CH2 3.42Å; Y302-W304 HydrophobicContact CG-CH2 3.42Å; Y302-W304 VanDerWaalsContact CG-CH2 3.42Å; Y302-W304 AromaticContact CG-CZ2 3.18Å; Y302-W304 HydrophobicContact CG-CZ2 3.18Å; Y302-W304 HydrophobicContact CG-CZ3 4.12Å; Y302-W304 PolarHBondContact O-N 3.32Å; Y302-W304 VanDerWaalsContact O-N 3.13Å; Y302-Q305 WeakPolarHBondContact O-CA 3.34Å; Y302-Q305 WeakPolarHBondContact O-CB 3.31Å; Y302-Q305 PolarHBondContact O-N 2.92Å; Y302-I306 PolarHBondContact O-N 3.36Å
303D97.7Very high96Very high32 Ų3281.8 Ų81.817%0.17139%0.393CS..THydrogen-bonded Turntrans-54.2-36.9-177.6-76.525000112.5F121 S122 T125 Q305 I306 P307F121-D303 WeakPolarHBondContact CA-OD2 3.35Å; F121-D303 HydrophobicContact CD1-CB 3.93Å; F121-D303 HydrophobicContact CE1-CB 4.48Å; S122-D303 WeakPolarHBondContact CB-OD1 3.31Å; S122-D303 PolarHBondContact N-OD2 2.83Å; S122-D303 PolarHBondContact OG-OD1 3.22Å; T125-D303 WeakPolarHBondContact CB-OD1 3.46Å; T125-D303 HydrophobicContact CG2-CB 4.37Å; T125-D303 PolarHBondContact OG1-N 2.82Å; T125-D303 PolarHBondContact OG1-OD1 2.97Å; D303-Q305 VanDerWaalsContact C-N 3.29Å; D303-Q305 PolarHBondContact O-N 3.27Å; D303-I306 PolarHBondContact O-N 3.38Å; D303-P307 WeakPolarHBondContact O-CD 3.2Å
304W96.7Very high95.7Very high9 Ų978.1 Ų78.13%0.03438%0.382CS..THydrogen-bonded Turntrans-69.4-21.9176.356.186.2000113.8L109 I112 F121 T125 I129 I157 A164 I167 Y302 P307 F308L109-W304 HydrophobicContact CD2-CH2 4.4Å; L109-W304 HydrophobicContact CD2-CZ3 4.1Å; I112-W304 HydrophobicContact CD1-CD2 4.38Å; I112-W304 HydrophobicContact CD1-CE3 4.27Å; I112-W304 HydrophobicContact CG2-CB 3.84Å; I112-W304 HydrophobicContact CG2-CE3 4.17Å; F121-W304 HydrophobicContact CE1-CE3 4.03Å; F121-W304 HydrophobicContact CE1-CZ3 4.25Å; F121-W304 HydrophobicContact CZ-CE3 4.42Å; F121-W304 HydrophobicContact CZ-CZ3 4.39Å; T125-W304 HydrophobicContact CG2-CE3 4.41Å; T125-W304 HydrophobicContact CG2-CH2 4.39Å; T125-W304 HydrophobicContact CG2-CZ3 3.74Å; I129-W304 HydrophobicContact CD1-CH2 4.27Å; I129-W304 HydrophobicContact CD1-CZ3 4.02Å; I129-W304 HydrophobicContact CG1-CH2 4.25Å; I129-W304 HydrophobicContact CG1-CZ3 4.5Å; I157-W304 HydrophobicContact CD1-CD2 4.31Å; I157-W304 HydrophobicContact CD1-CG 4.08Å; I157-W304 HydrophobicContact CG2-CH2 4.19Å; I157-W304 HydrophobicContact CG2-CZ2 3.81Å; A164-W304 PolarHBondContact O-NE1 3.24Å; I167-W304 HydrophobicContact CD1-CH2 3.99Å; I167-W304 HydrophobicContact CD1-CZ2 4.41Å; Y302-W304 AromaticContact CD1-CH2 3.29Å; Y302-W304 HydrophobicContact CD1-CH2 3.29Å; Y302-W304 AromaticContact CD1-CZ2 3.59Å; Y302-W304 HydrophobicContact CD1-CZ2 3.59Å; Y302-W304 AromaticContact CD1-CZ3 3.92Å; Y302-W304 HydrophobicContact CD1-CZ3 3.92Å; Y302-W304 HydrophobicContact CD2-CH2 4.11Å; Y302-W304 AromaticContact CD2-CZ2 3.5Å; Y302-W304 HydrophobicContact CD2-CZ2 3.5Å; Y302-W304 AromaticContact CE1-CH2 3.86Å; Y302-W304 HydrophobicContact CE1-CH2 3.86Å; Y302-W304 HydrophobicContact CE1-CZ2 4.22Å; Y302-W304 HydrophobicContact CE2-CZ2 4.16Å; Y302-W304 HydrophobicContact CG-CD2 4.38Å; Y302-W304 AromaticContact CG-CE2 3.69Å; Y302-W304 AromaticContact CG-CH2 3.42Å; Y302-W304 HydrophobicContact CG-CH2 3.42Å; Y302-W304 VanDerWaalsContact CG-CH2 3.42Å; Y302-W304 AromaticContact CG-CZ2 3.18Å; Y302-W304 HydrophobicContact CG-CZ2 3.18Å; Y302-W304 HydrophobicContact CG-CZ3 4.12Å; Y302-W304 PolarHBondContact O-N 3.32Å; Y302-W304 VanDerWaalsContact O-N 3.13Å; W304-P307 WeakPolarHBondContact O-CD 3.39Å; W304-F308 WeakPolarHBondContact O-CD2 3.37Å; W304-F308 WeakPolarHBondContact O-CE2 3.37Å
305Q97.1Very high95.3Very high14 Ų1479.1 Ų79.17%0.06539%0.389CS..THydrogen-bonded Turntrans-82.6-25.8178.8-57.1-174.3-74.800112.4A162 P301 Y302 D303 F308 L309A162-Q305 PolarHBondContact O-NE2 3.09Å; P301-Q305 HydrophobicContact CB-CB 4.21Å; Y302-Q305 WeakPolarHBondContact O-CA 3.34Å; Y302-Q305 WeakPolarHBondContact O-CB 3.31Å; Y302-Q305 PolarHBondContact O-N 2.92Å; D303-Q305 VanDerWaalsContact C-N 3.29Å; D303-Q305 PolarHBondContact O-N 3.27Å; Q305-F308 WeakPolarHBondContact O-CB 3.24Å; Q305-F308 PolarHBondContact O-N 2.82Å; Q305-F308 VanDerWaalsContact O-N 3.11Å; Q305-L309 PolarHBondContact O-N 2.98Å; Q305-L309 VanDerWaalsContact O-N 3.13Å
306I95.7Very high94.8Very high56 Ų5676.9 Ų76.929%0.28738%0.378SS..Hα-helixtrans-56.8-45.4-174.1-62.3173.4000113P301 Y302 D303 F308 L309 K310P301-I306 HydrophobicContact CB-CG1 4.33Å; P301-I306 HydrophobicContact CG-CG1 4.4Å; Y302-I306 PolarHBondContact O-N 3.36Å; D303-I306 PolarHBondContact O-N 3.38Å; I306-F308 PolarHBondContact O-N 3.43Å; I306-L309 PolarHBondContact O-N 2.81Å; I306-K310 HydrophobicContact CG2-CD 3.95Å; I306-K310 HydrophobicContact CG2-CG 4.26Å; I306-K310 WeakPolarHBondContact O-CG 3.2Å; I306-K310 PolarHBondContact O-N 3.1Å
307P94Very high94.1Very high83 Ų8381.8 Ų81.854%0.53940%0.401SS..Hα-helixtrans-58-36.8178-25.735.9000113.3D303 W304 K311D303-P307 WeakPolarHBondContact O-CD 3.2Å; W304-P307 WeakPolarHBondContact O-CD 3.39Å; P307-K311 WeakPolarHBondContact O-CB 3.37Å; P307-K311 PolarHBondContact O-N 3Å; P307-K311 VanDerWaalsContact O-N 3.15Å
308F94.7Very high93.2Very high89 Ų8984.4 Ų84.439%0.3941%0.413SS..Hα-helixtrans-72-41.5179.4-58.5-86.3000111.8E161 A162 W304 Q305 I306 K311 K312E161-F308 HydrophobicContact CB-CE2 3.75Å; E161-F308 HydrophobicContact CB-CZ 3.9Å; A162-F308 HydrophobicContact CB-CB 3.96Å; A162-F308 HydrophobicContact CB-CD1 3.98Å; A162-F308 HydrophobicContact CB-CD2 4.25Å; A162-F308 HydrophobicContact CB-CG 3.81Å; W304-F308 WeakPolarHBondContact O-CD2 3.37Å; W304-F308 WeakPolarHBondContact O-CE2 3.37Å; Q305-F308 WeakPolarHBondContact O-CB 3.24Å; Q305-F308 PolarHBondContact O-N 2.82Å; Q305-F308 VanDerWaalsContact O-N 3.11Å; I306-F308 PolarHBondContact O-N 3.43Å; F308-K311 PolarHBondContact O-N 2.86Å; F308-K312 PolarHBondContact O-N 3.2Å
309L93.9Very high92.2Very high75 Ų7587.4 Ų87.439%0.39343%0.425SS..Hα-helixtrans-63-46.8176.1-67.5175000111.7P301 Q305 I306 K311 K312 E313P301-L309 HydrophobicContact CB-CD1 3.57Å; P301-L309 HydrophobicContact CG-CD1 4.08Å; Q305-L309 PolarHBondContact O-N 2.98Å; Q305-L309 VanDerWaalsContact O-N 3.13Å; I306-L309 PolarHBondContact O-N 2.81Å; L309-K311 VanDerWaalsContact C-N 3.3Å; L309-K311 PolarHBondContact O-N 3.15Å; L309-K312 WeakPolarHBondContact O-CB 3.5Å; L309-K312 PolarHBondContact O-N 3.44Å; L309-E313 WeakPolarHBondContact O-CG 3.49Å; L309-E313 PolarHBondContact O-N 3.07Å
310K93.3Very high90.3Very high137 Ų13790 Ų9060%0.59643%0.43SS*.Hα-helixtrans-59.4-40.2176.4-73.1-179.9177177.20112.4I306 E313 S314I306-K310 HydrophobicContact CG2-CD 3.95Å; I306-K310 HydrophobicContact CG2-CG 4.26Å; I306-K310 WeakPolarHBondContact O-CG 3.2Å; I306-K310 PolarHBondContact O-N 3.1Å; K310-E313 PolarHBondContact O-N 2.85Å; K310-S314 PolarHBondContact O-N 2.91Å; K310-S314 PolarHBondContact O-OG 3.02Å
311K92.7Very high88.2Confident140 Ų14093.4 Ų93.461%0.60946%0.455SS*.Hα-helixtrans-65.7-37.8175.3-173.8178.3179.3-179.10112P307 F308 L309 S314 L315P307-K311 WeakPolarHBondContact O-CB 3.37Å; P307-K311 PolarHBondContact O-N 3Å; P307-K311 VanDerWaalsContact O-N 3.15Å; F308-K311 PolarHBondContact O-N 2.86Å; L309-K311 VanDerWaalsContact C-N 3.3Å; L309-K311 PolarHBondContact O-N 3.15Å; K311-S314 PolarHBondContact O-OG 3.28Å; K311-L315 HydrophobicContact CG-CD1 4.35Å; K311-L315 WeakPolarHBondContact O-CD1 3.36Å; K311-L315 VanDerWaalsContact O-CG 3.28Å; K311-L315 WeakPolarHBondContact O-CG 3.36Å; K311-L315 PolarHBondContact O-N 2.98Å
312K90.9Very high86.3Confident129 Ų12998.9 Ų98.956%0.56148%0.481SS*.Hα-helixtrans-66.4-43.6176.6-172179.3179.4-178.70111.5F308 L309 L315 Q316F308-K312 PolarHBondContact O-N 3.2Å; L309-K312 WeakPolarHBondContact O-CB 3.5Å; L309-K312 PolarHBondContact O-N 3.44Å; K312-L315 PolarHBondContact O-N 3.16Å; K312-Q316 WeakPolarHBondContact O-CG 3.3Å; K312-Q316 PolarHBondContact O-N 2.96Å; K312-Q316 VanDerWaalsContact O-N 3.11Å
313E91.3Very high84.1Confident106 Ų106104 Ų10450%0.49552%0.518SS..Hα-helixtrans-64.1-42.3177.7-71.4175.2179.700112.7L309 K310 L315 Q316 K317L309-E313 WeakPolarHBondContact O-CG 3.49Å; L309-E313 PolarHBondContact O-N 3.07Å; K310-E313 PolarHBondContact O-N 2.85Å; E313-L315 PolarHBondContact O-N 3.18Å; E313-Q316 PolarHBondContact O-N 3.35Å; E313-K317 PolarHBondContact O-N 3.47Å
314S91Very high81.8Confident55 Ų55108.2 Ų108.239%0.38555%0.545SS..Hα-helixtrans-64.2-40.8178.664.60000112.1K310 K311 Q316 K317 Q318K310-S314 PolarHBondContact O-N 2.91Å; K310-S314 PolarHBondContact O-OG 3.02Å; K311-S314 PolarHBondContact O-OG 3.28Å; S314-Q316 VanDerWaalsContact C-N 3.32Å; S314-Q316 PolarHBondContact O-N 2.66Å; S314-K317 PolarHBondContact O-N 3.13Å; S314-Q318 WeakPolarHBondContact O-CG 3.26Å; S314-Q318 PolarHBondContact O-N 3.39Å
315L89.7Confident79.6Confident87 Ų87113.4 Ų113.446%0.45558%0.581SS.*Hα-helixtrans-65-32.8174.3-71.2170000112.8K311 K312 E313 K319K311-L315 HydrophobicContact CG-CD1 4.35Å; K311-L315 WeakPolarHBondContact O-CD1 3.36Å; K311-L315 VanDerWaalsContact O-CG 3.28Å; K311-L315 WeakPolarHBondContact O-CG 3.36Å; K311-L315 PolarHBondContact O-N 2.98Å; K312-L315 PolarHBondContact O-N 3.16Å; E313-L315 PolarHBondContact O-N 3.18Å; L315-K319 WeakPolarHBondContact O-CG 3.3Å
316Q87.5Confident77.3Confident111 Ų111120.2 Ų120.252%0.51962%0.617SS.*Hα-helixtrans-73-38.5176.6-74.5177.6-0.700112.5K312 E313 S314 Q318 K319K312-Q316 WeakPolarHBondContact O-CG 3.3Å; K312-Q316 PolarHBondContact O-N 2.96Å; K312-Q316 VanDerWaalsContact O-N 3.11Å; E313-Q316 PolarHBondContact O-N 3.35Å; S314-Q316 VanDerWaalsContact C-N 3.32Å; S314-Q316 PolarHBondContact O-N 2.66Å; Q316-Q318 VanDerWaalsContact C-N 3.34Å; Q316-K319 PolarHBondContact O-N 2.85Å
317K84Confident75.2Confident162 Ų162126.1 Ų126.170%0.70464%0.643SS**Hα-helixtrans-64-38.7176-72.7178.7-178.4176.80112E313 S314 K319 K320E313-K317 PolarHBondContact O-N 3.47Å; S314-K317 PolarHBondContact O-N 3.13Å; K317-K319 PolarHBondContact O-N 2.85Å; K317-K320 PolarHBondContact O-N 2.92Å
318Q80.2Confident73.1Confident154 Ų154130.3 Ų130.372%0.7269%0.685SS**Hα-helixtrans-66.5-20.3175.8-70.9176.4-0.900113.8S314 Q316S314-Q318 WeakPolarHBondContact O-CG 3.26Å; S314-Q318 PolarHBondContact O-N 3.39Å; Q316-Q318 VanDerWaalsContact C-N 3.34Å
319K75.4Confident72.1Confident171 Ų171132.4 Ų132.474%0.74370%0.699SS**THydrogen-bonded Turntrans-90.9-10.8-178.9-76.6-176.7179.2-173.60114.7L315 Q316 K317 P321L315-K319 WeakPolarHBondContact O-CG 3.3Å; Q316-K319 PolarHBondContact O-N 2.85Å; K317-K319 PolarHBondContact O-N 2.85Å; K319-P321 VanDerWaalsContact O-CD 3.25Å; K319-P321 WeakPolarHBondContact O-CD 3.16Å
320K56.6Low70.9Confident176 Ų176135.4 Ų135.477%0.76572%0.716SS**SBendtrans-89.8101173-75.9-175.1176-177.90107.9K317K317-K320 PolarHBondContact O-N 2.92Å
321P54.1Low69.7Low117 Ų117135.3 Ų135.376%0.7672%0.722SS**  trans-69.9146.3173.7216.8000108.3K319 S323K319-P321 VanDerWaalsContact O-CD 3.25Å; K319-P321 WeakPolarHBondContact O-CD 3.16Å; P321-S323 PolarHBondContact O-N 2.75Å
322D57.3Low68.3Low164 Ų164135.1 Ų135.188%0.87773%0.729SS**  trans-41.7115.7173.6-67.4-45.7000110.2V324D322-V324 PolarHBondContact O-N 3.26Å
323S52.7Low66.9Low117 Ų117135.4 Ų135.482%0.81874%0.739SS**  trans-58.4107.3174.648.90000108.2P321 C325P321-S323 PolarHBondContact O-N 2.75Å; S323-C325 PolarHBondContact O-N 3.18Å
324V49.7Very low65.3Low121 Ų121137.4 Ų137.473%0.73376%0.756SS**  trans-12.1112.3167.3-1770000112.7D322 I326D322-V324 PolarHBondContact O-N 3.26Å; V324-I326 PolarHBondContact O-N 3.28Å
325C49.4Very low63.4Low117 Ų117143.3 Ų143.379%0.79178%0.782SS**  trans-53.6105.9158.7-83.90000108S323 Q327S323-C325 PolarHBondContact O-N 3.18Å; C325-Q327 VanDerWaalsContact C-N 3.26Å; C325-Q327 PolarHBondContact O-N 3.2Å
326I49.1Very low61.4Low158 Ų158147.6 Ų147.681%0.8181%0.807SS**  trans-72.294.3161.8-56.5177.8000104.7V324V324-I326 PolarHBondContact O-N 3.28Å
327Q51.3Low59.2Low180 Ų180150.7 Ų150.784%0.84183%0.831SS**  trans-68.2134.6164.5-76.6-171.8-39.100108.2C325C325-Q327 VanDerWaalsContact C-N 3.26Å; C325-Q327 PolarHBondContact O-N 3.2Å
328A51.2Low57Low171 Ų171149.6 Ų149.6100%1.41384%0.843SS**  trans-60.30-167.400000115.5

Retrieved 328 of 328 residues in 392.3 ms (Link to these results)

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