A0A3Q0KSM7_SCHMA Loading...

Sorting nexin, putative

AlphaFold DB (A0A5K4EUV8), UniProt , Accession A0A3Q0KSM7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 534 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
1M84.4Confident90.9Very high70 Ų7067.2 Ų67.235%0.34532%0.315SS..  0134.40177172.977.300108.6V3 T26 I27 Q30 W37 I56M1-V3 HydrophobicContact CE-CG1 3.91Å; M1-V3 HydrophobicContact CG-CG1 4.19Å; M1-T26 WeakPolarHBondContact O-CA 3.46Å; M1-I27 HydrophobicContact CB-CB 4.36Å; M1-I27 HydrophobicContact CE-CB 3.8Å; M1-I27 HydrophobicContact CE-CG1 3.54Å; M1-I27 HydrophobicContact CE-CG2 3.97Å; M1-I27 PolarHBondContact O-N 3.32Å; M1-Q30 HydrophobicContact CE-CG 4.36Å; M1-Q30 VanDerWaalsContact CE-NE2 3.27Å; M1-W37 HydrophobicContact CE-CE3 4.07Å; M1-W37 HydrophobicContact CE-CH2 3.92Å; M1-W37 HydrophobicContact CE-CZ3 3.67Å; M1-I56 HydrophobicContact CE-CD1 4.5Å; M1-I56 HydrophobicContact CE-CG1 4.41Å; M1-I56 HydrophobicContact CG-CG2 4.16Å; M1-I56 HydrophobicContact SD-CD1 3.76Å; M1-I56 HydrophobicContact SD-CG1 3.91Å; M1-I56 HydrophobicContact SD-CG2 4.25Å
2R90.9Very high90Very high95 Ų9574.6 Ų74.636%0.35835%0.35SS..EExtended strand (participates in β ladder)trans-98.1139.9172-65.3-162.597.4-160.83.6109.6E24 L25 E42 I57R2-E24 IonicContact CZ-OE2 3.42Å; R2-E24 IonicContact NH1-OE2 3.83Å; R2-E24 PolarHBondContact NH1-OE2 2.92Å; R2-E24 IonicContact NH2-OE2 2.66Å; R2-L25 WeakPolarHBondContact CA-O 3.26Å; R2-E42 IonicContact NH2-OE1 3.59Å; R2-E42 PolarHBondContact NH2-OE1 3.22Å; R2-I57 HydrophobicContact CB-CB 4.38Å; R2-I57 HydrophobicContact CB-CD1 4.31Å; R2-I57 PolarHBondContact O-N 2.73Å
3V93.9Very high89.2Confident0 Ų083.3 Ų83.30%038%0.378CS..EExtended strand (participates in β ladder)trans-133.7156.7179.1-57.80000109.9M1 E24 L25 I27 W37 V54 E55 I56M1-V3 HydrophobicContact CE-CG1 3.91Å; M1-V3 HydrophobicContact CG-CG1 4.19Å; V3-E24 CarbonylContact O-C 3.56Å; V3-E24 WeakPolarHBondContact O-CA 3.47Å; V3-L25 HydrophobicContact CG2-CB 3.83Å; V3-L25 PolarHBondContact N-O 2.66Å; V3-L25 PolarHBondContact O-N 2.97Å; V3-I27 HydrophobicContact CB-CG1 4.43Å; V3-I27 HydrophobicContact CG1-CD1 4.25Å; V3-I27 HydrophobicContact CG1-CG1 3.61Å; V3-I27 HydrophobicContact CG2-CD1 3.69Å; V3-I27 HydrophobicContact CG2-CG1 3.89Å; V3-W37 HydrophobicContact CG1-CZ3 4.28Å; V3-V54 HydrophobicContact CB-CB 3.9Å; V3-V54 HydrophobicContact CB-CG1 4.41Å; V3-V54 HydrophobicContact CB-CG2 4.23Å; V3-V54 HydrophobicContact CG1-CG2 4.41Å; V3-V54 HydrophobicContact CG2-CB 3.82Å; V3-V54 HydrophobicContact CG2-CG1 3.8Å; V3-V54 HydrophobicContact CG2-CG2 4.13Å; V3-E55 CarbonylContact C-O 3.42Å; V3-E55 WeakPolarHBondContact CA-O 3.41Å; V3-E55 VanDerWaalsContact CB-O 3.27Å; V3-E55 WeakPolarHBondContact CB-O 3.49Å; V3-I56 HydrophobicContact CG1-CG1 4.26Å
4R93.6Very high88.5Confident90 Ų9090.1 Ų90.134%0.3442%0.419SS..EExtended strand (participates in β ladder)trans-112.6134.2171.5-178.4174.6-62.5130.63109.6I6 E23 E24 V54 E55 I57R4-I6 PolarHBondContact O-N 2.8Å; R4-E23 WeakPolarHBondContact CA-O 3.49Å; R4-E24 IonicContact CZ-OE1 3.35Å; R4-E24 IonicContact NE-OE1 2.93Å; R4-E24 IonicContact NH2-OE1 3.81Å; R4-E24 PolarHBondContact NH2-OE1 3.3Å; R4-V54 CarbonylContact O-C 3.59Å; R4-V54 WeakPolarHBondContact O-CA 3.36Å; R4-E55 HydrophobicContact CB-CG 3.82Å; R4-E55 PolarHBondContact N-O 3.04Å; R4-E55 IonicContact NH1-OE1 3.52Å; R4-E55 PolarHBondContact NH1-OE1 3Å; R4-E55 PolarHBondContact O-N 3.49Å; R4-I57 HydrophobicContact CB-CD1 4.14Å; R4-I57 HydrophobicContact CB-CG1 4.13Å
5V94.1Very high88.2Confident1 Ų187.5 Ų87.51%0.00643%0.426CS..EExtended strand (participates in β ladder)trans-71.7125.8176.6179.10000109.5Y7 V19 S20 G22 E23 L25 F53 V54V5-Y7 WeakPolarHBondContact CG1-O 3.39Å; V5-V19 HydrophobicContact CG1-CB 4.31Å; V5-V19 HydrophobicContact CG1-CG2 3.81Å; V5-V19 HydrophobicContact CG2-CB 3.96Å; V5-V19 HydrophobicContact CG2-CG2 3.92Å; V5-S20 WeakPolarHBondContact CB-O 3.38Å; V5-S20 WeakPolarHBondContact CG1-O 3.22Å; V5-G22 PolarHBondContact O-N 3.35Å; V5-E23 HydrophobicContact CB-CB 4.39Å; V5-E23 HydrophobicContact CG2-CB 4.15Å; V5-E23 WeakPolarHBondContact CG2-O 3.49Å; V5-E23 PolarHBondContact N-O 2.95Å; V5-L25 HydrophobicContact CG2-CD1 3.56Å; V5-L25 HydrophobicContact CG2-CG 3.91Å; V5-F53 WeakPolarHBondContact CA-O 3.31Å; V5-V54 HydrophobicContact CB-CG1 4.49Å; V5-V54 HydrophobicContact CG2-CG1 3.93Å
6I92.6Very high88.4Confident59 Ų5984.4 Ų84.430%0.30341%0.41SS..  trans-104.4-13.9-179.756.4165.1000113.2R4 F53 E55R4-I6 PolarHBondContact O-N 2.8Å; I6-F53 VanDerWaalsContact CG1-C 3.48Å; I6-F53 VanDerWaalsContact CG1-O 3.32Å; I6-F53 WeakPolarHBondContact CG1-O 3.48Å; I6-F53 PolarHBondContact N-O 3.36Å; I6-E55 HydrophobicContact CG2-CB 3.95Å; I6-E55 HydrophobicContact CG2-CG 3.7Å
7Y88.9Confident88.6Confident138 Ų13879.9 Ų79.954%0.54139%0.389SS..SBendtrans-139.2141.9174.8-61-66.6000110.8V5 T21 F53V5-Y7 WeakPolarHBondContact CG1-O 3.39Å; Y7-T21 WeakPolarHBondContact CA-OG1 3.27Å; Y7-F53 HydrophobicContact CD2-CG 4.47Å
8D89.6Confident88.8Confident105 Ų10579.7 Ų79.756%0.56139%0.393SS*.  trans-62.7137173.8-62.9-12.7000110.5T21 F53D8-T21 PolarHBondContact N-OG1 2.63Å; D8-T21 VanDerWaalsContact N-OG1 3.12Å; D8-T21 VanDerWaalsContact OD1-CB 3.31Å; D8-T21 WeakPolarHBondContact OD1-CB 3.43Å; D8-T21 PolarHBondContact OD1-N 3.41Å; D8-T21 PolarHBondContact OD1-OG1 3Å; D8-F53 WeakPolarHBondContact O-CE1 3.27Å
9F91.2Very high89.2Confident21 Ų2175.6 Ų75.69%0.09237%0.373CS..BIsolated β-bridgetrans-135.5125.6176.7177-105.3000110.1E16 L17 T18 V19 W36 P50 F53F9-E16 HydrophobicContact CE1-CB 4.09Å; F9-E16 HydrophobicContact CE1-CG 4.43Å; F9-E16 HydrophobicContact CZ-CB 4.4Å; F9-E16 HydrophobicContact CZ-CG 4.33Å; F9-L17 VanDerWaalsContact CD1-O 3.26Å; F9-L17 WeakPolarHBondContact CD1-O 3.48Å; F9-T18 CarbonylContact O-C 3.59Å; F9-T18 VanDerWaalsContact O-CA 3.29Å; F9-T18 WeakPolarHBondContact O-CA 3.42Å; F9-V19 HydrophobicContact CB-CG2 3.88Å; F9-V19 PolarHBondContact N-O 3.46Å; F9-V19 PolarHBondContact O-N 2.92Å; F9-W36 HydrophobicContact CE1-CZ3 4.17Å; F9-W36 HydrophobicContact CE2-CH2 4Å; F9-W36 HydrophobicContact CE2-CZ3 4.35Å; F9-W36 AromaticContact CZ-CH2 3.61Å; F9-W36 HydrophobicContact CZ-CH2 3.61Å; F9-W36 AromaticContact CZ-CZ3 3.68Å; F9-W36 HydrophobicContact CZ-CZ3 3.68Å; F9-P50 HydrophobicContact CD2-CG 3.91Å; F9-P50 HydrophobicContact CE2-CG 3.86Å; F9-P50 HydrophobicContact CG-CG 4.44Å; F9-P50 HydrophobicContact CZ-CG 4.35Å; F9-F53 HydrophobicContact CB-CD1 3.77Å; F9-F53 HydrophobicContact CB-CE1 4.04Å; F9-F53 HydrophobicContact CD2-CD1 4.43Å; F9-F53 HydrophobicContact CD2-CE1 4.18Å; F9-F53 HydrophobicContact CG-CD1 4.45Å
10I90.7Very high89.3Confident127 Ų12775.2 Ų75.265%0.65138%0.378SS*.  trans-105.8121.7178.7-57.8175.6000107.8Q12I10-Q12 PolarHBondContact O-N 3.01Å
11A89.8Confident89.5Confident33 Ų3375.4 Ų75.427%0.27338%0.384SS..  trans-57.2124.8175.900000110.8E16 T18A11-E16 HydrophobicContact CB-CB 3.65Å; A11-T18 WeakPolarHBondContact CB-OG1 3.5Å; A11-T18 PolarHBondContact N-OG1 3.19Å
12Q80.4Confident89.8Confident156 Ų15674.2 Ų74.273%0.72939%0.389SS*.  trans-98.9-19.9176.8-62.9-178.71.900111.6I10 E16I10-Q12 PolarHBondContact O-N 3.01Å; Q12-E16 PolarHBondContact N-OE2 2.88Å
13W79.7Confident89.9Confident188 Ų18871.9 Ų71.971%0.71238%0.382SS*.SBendtrans-133.5155-176.2-52.878.4000112G15 E16W13-G15 PolarHBondContact O-N 3.18Å; W13-G15 VanDerWaalsContact O-N 3.16Å; W13-E16 PolarHBondContact N-OE2 3.41Å; W13-E16 PolarHBondContact O-N 2.97Å
14N79.2Confident89.9Confident179 Ų17974.3 Ų74.396%0.95739%0.393SS*.THydrogen-bonded Turntrans-64.2115.6171.9-75.3-13.8000109.8
15G84.7Confident89.9Confident51 Ų5170 Ų7053%0.52638%0.377SS..THydrogen-bonded Turntrans119.2-13.2-177.300000113.9W13 G47 L48W13-G15 PolarHBondContact O-N 3.18Å; W13-G15 VanDerWaalsContact O-N 3.16Å; G15-G47 CarbonylContact O-C 3.5Å; G15-G47 WeakPolarHBondContact O-CA 3.11Å; G15-L48 PolarHBondContact O-N 2.96Å
16E91.6Very high89.9Confident37 Ų3772.7 Ų72.717%0.17339%0.393CS..BIsolated β-bridgetrans-86.1152.2170.7-71.8174.4175.600111.4F9 A11 Q12 W13 W36 L48F9-E16 HydrophobicContact CE1-CB 4.09Å; F9-E16 HydrophobicContact CE1-CG 4.43Å; F9-E16 HydrophobicContact CZ-CB 4.4Å; F9-E16 HydrophobicContact CZ-CG 4.33Å; A11-E16 HydrophobicContact CB-CB 3.65Å; Q12-E16 PolarHBondContact N-OE2 2.88Å; W13-E16 PolarHBondContact N-OE2 3.41Å; W13-E16 PolarHBondContact O-N 2.97Å; E16-W36 HydrophobicContact CG-CH2 4.48Å; E16-W36 HydrophobicContact CG-CZ3 4.21Å; E16-W36 WeakPolarHBondContact OE1-CH2 3.41Å; E16-L48 WeakPolarHBondContact CA-O 3.32Å; E16-L48 HydrophobicContact CG-CB 4.4Å
17L91.3Very high89.9Confident8 Ų870.5 Ų70.54%0.04238%0.382CS..  trans-105.4117.9179.2-172.767.1000110.2F9 V19 L25 N41 K45 L48 I49F9-L17 VanDerWaalsContact CD1-O 3.26Å; F9-L17 WeakPolarHBondContact CD1-O 3.48Å; L17-V19 HydrophobicContact CB-CG1 4.37Å; L17-V19 HydrophobicContact CD2-CG1 3.73Å; L17-V19 HydrophobicContact CG-CG1 3.71Å; L17-V19 PolarHBondContact O-N 3.37Å; L17-L25 HydrophobicContact CD2-CD2 4.19Å; L17-N41 HydrophobicContact CD2-CB 4.41Å; L17-K45 HydrophobicContact CD1-CB 3.8Å; L17-L48 PolarHBondContact N-O 2.91Å; L17-I49 HydrophobicContact CB-CG2 3.99Å; L17-I49 HydrophobicContact CD2-CG2 4.45Å
18T92.9Very high89.9Confident76 Ų7667.4 Ų67.447%0.46638%0.378SS..  trans-69.5124.4169.2-630000109.6F9 A11F9-T18 CarbonylContact O-C 3.59Å; F9-T18 VanDerWaalsContact O-CA 3.29Å; F9-T18 WeakPolarHBondContact O-CA 3.42Å; A11-T18 WeakPolarHBondContact CB-OG1 3.5Å; A11-T18 PolarHBondContact N-OG1 3.19Å
19V94.8Very high89.7Confident2 Ų265.3 Ų65.31%0.01237%0.367CS..BIsolated β-bridgetrans-136.3150.6-178.1-62.80000111V5 F9 L17 E23 L25 I49V5-V19 HydrophobicContact CG1-CB 4.31Å; V5-V19 HydrophobicContact CG1-CG2 3.81Å; V5-V19 HydrophobicContact CG2-CB 3.96Å; V5-V19 HydrophobicContact CG2-CG2 3.92Å; F9-V19 HydrophobicContact CB-CG2 3.88Å; F9-V19 PolarHBondContact N-O 3.46Å; F9-V19 PolarHBondContact O-N 2.92Å; L17-V19 HydrophobicContact CB-CG1 4.37Å; L17-V19 HydrophobicContact CD2-CG1 3.73Å; L17-V19 HydrophobicContact CG-CG1 3.71Å; L17-V19 PolarHBondContact O-N 3.37Å; V19-E23 WeakPolarHBondContact CA-OE2 3.25Å; V19-L25 HydrophobicContact CG1-CD1 3.9Å; V19-L25 HydrophobicContact CG1-CD2 4.05Å; V19-I49 HydrophobicContact CG1-CG2 4.19Å; V19-I49 HydrophobicContact CG2-CG2 4.21Å
20S92.8Very high89.5Confident68 Ų6867.6 Ų67.648%0.47638%0.378SS..  trans-113.3150.4177.2-570000111.4V5 G22 E23V5-S20 WeakPolarHBondContact CB-O 3.38Å; V5-S20 WeakPolarHBondContact CG1-O 3.22Å; S20-G22 PolarHBondContact O-N 3.42Å; S20-E23 PolarHBondContact N-OE2 3.12Å; S20-E23 VanDerWaalsContact N-OE2 3.13Å; S20-E23 WeakPolarHBondContact O-CB 3.45Å; S20-E23 PolarHBondContact O-N 2.94Å
21T93.8Very high89Confident80 Ų8066.7 Ų66.749%0.49137%0.374SS..THydrogen-bonded Turntrans-52.7130.1177.1-55.10000110.4Y7 D8Y7-T21 WeakPolarHBondContact CA-OG1 3.27Å; D8-T21 PolarHBondContact N-OG1 2.63Å; D8-T21 VanDerWaalsContact N-OG1 3.12Å; D8-T21 VanDerWaalsContact OD1-CB 3.31Å; D8-T21 WeakPolarHBondContact OD1-CB 3.43Å; D8-T21 PolarHBondContact OD1-N 3.41Å; D8-T21 PolarHBondContact OD1-OG1 3Å
22G89.2Confident88.4Confident44 Ų4468.2 Ų68.245%0.45438%0.38SS..THydrogen-bonded Turntrans93-12.3-175.800000115.1V5 S20V5-G22 PolarHBondContact O-N 3.35Å; S20-G22 PolarHBondContact O-N 3.42Å
23E93.7Very high88Confident47 Ų4762.8 Ų62.822%0.2237%0.366CS..  trans-66136176.6-170.1172.7174.600111R4 V5 V19 S20 L25 N41R4-E23 WeakPolarHBondContact CA-O 3.49Å; V5-E23 HydrophobicContact CB-CB 4.39Å; V5-E23 HydrophobicContact CG2-CB 4.15Å; V5-E23 WeakPolarHBondContact CG2-O 3.49Å; V5-E23 PolarHBondContact N-O 2.95Å; V19-E23 WeakPolarHBondContact CA-OE2 3.25Å; S20-E23 PolarHBondContact N-OE2 3.12Å; S20-E23 VanDerWaalsContact N-OE2 3.13Å; S20-E23 WeakPolarHBondContact O-CB 3.45Å; S20-E23 PolarHBondContact O-N 2.94Å; E23-L25 HydrophobicContact CG-CD2 3.99Å; E23-N41 VanDerWaalsContact OE1-CB 3.26Å; E23-N41 WeakPolarHBondContact OE1-CB 3.43Å; E23-N41 PolarHBondContact OE1-ND2 3Å
24E93.1Very high87.8Confident50 Ų5060 Ų6023%0.23438%0.375CS..EExtended strand (participates in β ladder)trans-96.6127.8175.6-63.5-166166.300110.6R2 V3 R4 I57R2-E24 IonicContact CZ-OE2 3.42Å; R2-E24 IonicContact NH1-OE2 3.83Å; R2-E24 PolarHBondContact NH1-OE2 2.92Å; R2-E24 IonicContact NH2-OE2 2.66Å; V3-E24 CarbonylContact O-C 3.56Å; V3-E24 WeakPolarHBondContact O-CA 3.47Å; R4-E24 IonicContact CZ-OE1 3.35Å; R4-E24 IonicContact NE-OE1 2.93Å; R4-E24 IonicContact NH2-OE1 3.81Å; R4-E24 PolarHBondContact NH2-OE1 3.3Å; E24-I57 HydrophobicContact CB-CD1 4.44Å; E24-I57 VanDerWaalsContact CD-CD1 3.49Å; E24-I57 HydrophobicContact CG-CD1 3.85Å; E24-I57 WeakPolarHBondContact OE1-CD1 3.49Å
25L94.1Very high88Confident0 Ų053.3 Ų53.30%035%0.348CS..EExtended strand (participates in β ladder)trans-119.7154.4-178.1-51.3173.7000110.8R2 V3 V5 L17 V19 E23 A39 N41 I49 V54R2-L25 WeakPolarHBondContact CA-O 3.26Å; V3-L25 HydrophobicContact CG2-CB 3.83Å; V3-L25 PolarHBondContact N-O 2.66Å; V3-L25 PolarHBondContact O-N 2.97Å; V5-L25 HydrophobicContact CG2-CD1 3.56Å; V5-L25 HydrophobicContact CG2-CG 3.91Å; L17-L25 HydrophobicContact CD2-CD2 4.19Å; V19-L25 HydrophobicContact CG1-CD1 3.9Å; V19-L25 HydrophobicContact CG1-CD2 4.05Å; E23-L25 HydrophobicContact CG-CD2 3.99Å; L25-A39 HydrophobicContact CB-CB 4.1Å; L25-A39 HydrophobicContact CD1-CB 4.04Å; L25-N41 HydrophobicContact CD2-CB 3.54Å; L25-I49 HydrophobicContact CD1-CD1 4Å; L25-I49 HydrophobicContact CD1-CG2 4.34Å; L25-V54 HydrophobicContact CD1-CG1 4.38Å
26T94Very high88.3Confident57 Ų5754.8 Ų54.835%0.3534%0.338SS..EExtended strand (participates in β ladder)trans-104.4117.9167.9-57.10000109.2M1 T28 A39 V40M1-T26 WeakPolarHBondContact O-CA 3.46Å; T26-T28 PolarHBondContact O-N 3.25Å; T26-A39 WeakPolarHBondContact O-CA 3.41Å; T26-V40 PolarHBondContact N-O 2.9Å; T26-V40 PolarHBondContact O-N 2.98Å
27I92.2Very high88.3Confident13 Ų1355 Ų557%0.06734%0.337CS..EExtended strand (participates in β ladder)trans-75.1124.7175.9-57.3-53.2000109.5M1 V3 Q30 W37 A39 I49M1-I27 HydrophobicContact CB-CB 4.36Å; M1-I27 HydrophobicContact CE-CB 3.8Å; M1-I27 HydrophobicContact CE-CG1 3.54Å; M1-I27 HydrophobicContact CE-CG2 3.97Å; M1-I27 PolarHBondContact O-N 3.32Å; V3-I27 HydrophobicContact CB-CG1 4.43Å; V3-I27 HydrophobicContact CG1-CD1 4.25Å; V3-I27 HydrophobicContact CG1-CG1 3.61Å; V3-I27 HydrophobicContact CG2-CD1 3.69Å; V3-I27 HydrophobicContact CG2-CG1 3.89Å; I27-Q30 HydrophobicContact CG2-CG 3.64Å; I27-W37 HydrophobicContact CD1-CB 4.2Å; I27-W37 HydrophobicContact CD1-CE3 3.91Å; I27-W37 HydrophobicContact CG1-CE3 3.98Å; I27-W37 HydrophobicContact CG2-CB 4.26Å; I27-W37 HydrophobicContact CG2-CG 4.48Å; I27-A39 HydrophobicContact CD1-CB 3.62Å; I27-I49 HydrophobicContact CD1-CD1 4.21Å
28T89.4Confident88.4Confident73 Ų7357.1 Ų57.145%0.44835%0.347SS..EExtended strand (participates in β ladder)trans-100.9-31-179.556.70000112.4T26 Q38 V40 E46T26-T28 PolarHBondContact O-N 3.25Å; T28-Q38 PolarHBondContact N-O 3.33Å; T28-Q38 PolarHBondContact OG1-O 2.87Å; T28-V40 HydrophobicContact CG2-CB 4.48Å; T28-V40 HydrophobicContact CG2-CG1 3.99Å; T28-E46 PolarHBondContact OG1-OE1 3.44Å; T28-E46 VanDerWaalsContact OG1-OE1 3.11Å
29N85.7Confident88.4Confident62 Ų6253.5 Ų53.533%0.33233%0.325SS..EExtended strand (participates in β ladder)trans-152.5125.1179.1-172.7-1.2000111.4N31 V32 Q38N29-N31 PolarHBondContact OD1-N 3.47Å; N29-V32 HydrophobicContact CB-CG2 4.38Å; N29-Q38 HydrophobicContact CB-CB 3.93Å; N29-Q38 PolarHBondContact N-O 3.29Å; N29-Q38 PolarHBondContact O-N 3.18Å
30Q86.9Confident88.4Confident69 Ų6955.1 Ų55.132%0.32234%0.335SS..SBendtrans-95.8-6.4177.1-65.2-176.546.700113.5M1 I27 W37M1-Q30 HydrophobicContact CE-CG 4.36Å; M1-Q30 VanDerWaalsContact CE-NE2 3.27Å; I27-Q30 HydrophobicContact CG2-CG 3.64Å; Q30-W37 HydrophobicContact CB-CG 4.44Å; Q30-W37 HydrophobicContact CG-CD2 4.17Å; Q30-W37 HydrophobicContact CG-CG 4.14Å
31N80.1Confident88.3Confident107 Ų10752.6 Ų52.657%0.57232%0.316SS*.  trans-105.634.8-169.4-68.8-42.1000113.3N29N29-N31 PolarHBondContact OD1-N 3.47Å
32V77.5Confident87.9Confident65 Ų6555.6 Ų55.639%0.39432%0.324SS..SBendtrans-90.8-13.6-176.7-130.40000113.3N29 Q38 L48N29-V32 HydrophobicContact CB-CG2 4.38Å; V32-Q38 HydrophobicContact CG2-CB 3.98Å; V32-L48 HydrophobicContact CB-CD2 3.97Å; V32-L48 HydrophobicContact CG1-CD2 3.92Å; V32-L48 HydrophobicContact CG2-CD2 3.85Å
33G72.2Confident87.8Confident43 Ų4361.6 Ų61.644%0.44334%0.339SS..SBendtrans156.4161.5-179.900000111G35 W36G33-G35 PolarHBondContact O-N 2.9Å; G33-W36 PolarHBondContact O-N 3.43Å
34S75.1Confident87.4Confident128 Ų12862 Ų6290%0.89536%0.356SS*.THydrogen-bonded Turntrans-61.8109.3-178.2580000110.9
35G82.6Confident87.2Confident39 Ų3966.3 Ų66.340%0.40237%0.373SS..THydrogen-bonded Turntrans95.42.4175.700000116G33 P50 S51G33-G35 PolarHBondContact O-N 2.9Å; G35-P50 CarbonylContact O-C 3.48Å; G35-P50 WeakPolarHBondContact O-CA 3.26Å; G35-S51 VanDerWaalsContact C-OG 3.25Å; G35-S51 WeakPolarHBondContact CA-OG 3.39Å; G35-S51 PolarHBondContact O-N 3.04Å; G35-S51 PolarHBondContact O-OG 3.21Å
36W90.6Very high87.2Confident82 Ų8271.4 Ų71.431%0.31140%0.397SS..EExtended strand (participates in β ladder)trans-121.6137.4-178.9-7087.5000112.4F9 E16 G33 L48 I49 P50F9-W36 HydrophobicContact CE1-CZ3 4.17Å; F9-W36 HydrophobicContact CE2-CH2 4Å; F9-W36 HydrophobicContact CE2-CZ3 4.35Å; F9-W36 AromaticContact CZ-CH2 3.61Å; F9-W36 HydrophobicContact CZ-CH2 3.61Å; F9-W36 AromaticContact CZ-CZ3 3.68Å; F9-W36 HydrophobicContact CZ-CZ3 3.68Å; E16-W36 HydrophobicContact CG-CH2 4.48Å; E16-W36 HydrophobicContact CG-CZ3 4.21Å; E16-W36 WeakPolarHBondContact OE1-CH2 3.41Å; G33-W36 PolarHBondContact O-N 3.43Å; W36-L48 HydrophobicContact CE3-CB 3.86Å; W36-L48 HydrophobicContact CZ3-CB 4.31Å; W36-I49 WeakPolarHBondContact CA-O 3.45Å; W36-P50 HydrophobicContact CE3-CG 4.28Å; W36-P50 HydrophobicContact CH2-CG 3.93Å; W36-P50 HydrophobicContact CZ2-CG 4.43Å; W36-P50 HydrophobicContact CZ3-CG 3.84Å
37W93Very high87.1Confident41 Ų4168.9 Ų68.916%0.15538%0.383CS..EExtended strand (participates in β ladder)trans-119.9145.7174.8-66.3-15.3000110.9M1 V3 I27 Q30 L48 I49 S51 V54M1-W37 HydrophobicContact CE-CE3 4.07Å; M1-W37 HydrophobicContact CE-CH2 3.92Å; M1-W37 HydrophobicContact CE-CZ3 3.67Å; V3-W37 HydrophobicContact CG1-CZ3 4.28Å; I27-W37 HydrophobicContact CD1-CB 4.2Å; I27-W37 HydrophobicContact CD1-CE3 3.91Å; I27-W37 HydrophobicContact CG1-CE3 3.98Å; I27-W37 HydrophobicContact CG2-CB 4.26Å; I27-W37 HydrophobicContact CG2-CG 4.48Å; Q30-W37 HydrophobicContact CB-CG 4.44Å; Q30-W37 HydrophobicContact CG-CD2 4.17Å; Q30-W37 HydrophobicContact CG-CG 4.14Å; W37-L48 CarbonylContact O-C 3.58Å; W37-L48 WeakPolarHBondContact O-CA 3.48Å; W37-I49 HydrophobicContact CB-CG1 4.41Å; W37-I49 PolarHBondContact N-O 3.15Å; W37-I49 WeakPolarHBondContact O-CG1 3.4Å; W37-I49 PolarHBondContact O-N 3.08Å; W37-S51 VanDerWaalsContact CE2-CB 3.45Å; W37-V54 HydrophobicContact CE3-CG2 3.68Å; W37-V54 HydrophobicContact CZ3-CG2 3.54Å
38Q91.9Very high87.2Confident53 Ų5370.6 Ų70.625%0.24839%0.392CS..EExtended strand (participates in β ladder)trans-88.7128.7169.5-164169.8-9.700109T28 N29 V32 E46 L48T28-Q38 PolarHBondContact N-O 3.33Å; T28-Q38 PolarHBondContact OG1-O 2.87Å; N29-Q38 HydrophobicContact CB-CB 3.93Å; N29-Q38 PolarHBondContact N-O 3.29Å; N29-Q38 PolarHBondContact O-N 3.18Å; V32-Q38 HydrophobicContact CG2-CB 3.98Å; Q38-E46 HydrophobicContact CG-CG 4.02Å; Q38-E46 WeakPolarHBondContact CG-OE1 3.49Å; Q38-E46 VanDerWaalsContact NE2-CD 3.28Å; Q38-E46 PolarHBondContact NE2-OE1 3.43Å; Q38-L48 HydrophobicContact CB-CD2 4.05Å; Q38-L48 HydrophobicContact CG-CD2 4.37Å
39A94.1Very high87.4Confident0 Ų067.2 Ų67.20%037%0.371CS..EExtended strand (participates in β ladder)trans-136151.7-175.800000111L25 T26 I27 E46 G47 I49L25-A39 HydrophobicContact CB-CB 4.1Å; L25-A39 HydrophobicContact CD1-CB 4.04Å; T26-A39 WeakPolarHBondContact O-CA 3.41Å; I27-A39 HydrophobicContact CD1-CB 3.62Å; A39-E46 VanDerWaalsContact O-CA 3.31Å; A39-E46 WeakPolarHBondContact O-CA 3.27Å; A39-G47 PolarHBondContact N-O 3.48Å; A39-G47 PolarHBondContact O-N 3.37Å; A39-I49 HydrophobicContact CB-CD1 4.4Å; A39-I49 HydrophobicContact CB-CG1 4.08Å
40V93.6Very high87.7Confident37 Ų3765 Ų6522%0.22436%0.36CS..EExtended strand (participates in β ladder)trans-117.6133.5169.665.90000109.5T26 T28 K45 E46T26-V40 PolarHBondContact N-O 2.9Å; T26-V40 PolarHBondContact O-N 2.98Å; T28-V40 HydrophobicContact CG2-CB 4.48Å; T28-V40 HydrophobicContact CG2-CG1 3.99Å; V40-K45 WeakPolarHBondContact CA-O 3.33Å; V40-E46 HydrophobicContact CB-CB 4.43Å; V40-E46 HydrophobicContact CG2-CB 4.45Å
41N90.3Very high87.9Confident15 Ų1562.6 Ų62.68%0.0835%0.351CS..  trans-87.7175.7174.973.14.3000112.3L17 E23 L25 F43 G44 K45L17-N41 HydrophobicContact CD2-CB 4.41Å; E23-N41 VanDerWaalsContact OE1-CB 3.26Å; E23-N41 WeakPolarHBondContact OE1-CB 3.43Å; E23-N41 PolarHBondContact OE1-ND2 3Å; L25-N41 HydrophobicContact CD2-CB 3.54Å; N41-F43 PolarHBondContact O-N 2.75Å; N41-F43 VanDerWaalsContact O-N 3.12Å; N41-F43 WeakPolarHBondContact OD1-CA 3.47Å; N41-F43 WeakPolarHBondContact OD1-CB 3.31Å; N41-F43 PolarHBondContact OD1-N 3.12Å; N41-F43 VanDerWaalsContact OD1-N 3.11Å; N41-G44 PolarHBondContact O-N 3.33Å; N41-G44 PolarHBondContact OD1-N 3.15Å; N41-K45 PolarHBondContact N-O 3.43Å; N41-K45 WeakPolarHBondContact OD1-CB 3.5Å; N41-K45 PolarHBondContact OD1-N 3.4Å; N41-K45 PolarHBondContact OD1-O 2.92Å
42E86.7Confident88.3Confident142 Ų14264.9 Ų64.966%0.66436%0.358SS*.THydrogen-bonded Turntrans-63.3-18.9-178.7-58.8-163.9149.400113.8R2 G44R2-E42 IonicContact NH2-OE1 3.59Å; R2-E42 PolarHBondContact NH2-OE1 3.22Å; E42-G44 VanDerWaalsContact C-N 3.29Å
43F86.9Confident89.1Confident171 Ų17164.7 Ų64.775%0.7535%0.352SS*.THydrogen-bonded Turntrans-86.42.8175.5-55.1-76.6000113.3N41 K45N41-F43 PolarHBondContact O-N 2.75Å; N41-F43 VanDerWaalsContact O-N 3.12Å; N41-F43 WeakPolarHBondContact OD1-CA 3.47Å; N41-F43 WeakPolarHBondContact OD1-CB 3.31Å; N41-F43 PolarHBondContact OD1-N 3.12Å; N41-F43 VanDerWaalsContact OD1-N 3.11Å; F43-K45 VanDerWaalsContact C-N 3.26Å; F43-K45 PolarHBondContact O-N 3.44Å
44G86Confident90.1Very high56 Ų5663.3 Ų63.358%0.57734%0.335SS*.SBendtrans74.511.8-178.300000114.2N41 E42N41-G44 PolarHBondContact O-N 3.33Å; N41-G44 PolarHBondContact OD1-N 3.15Å; E42-G44 VanDerWaalsContact C-N 3.29Å
45K89.2Confident90.9Very high140 Ų14061.5 Ų61.561%0.60931%0.312SS*.  trans-80.9128172.1-68.8-173.4178.9179.90109.3L17 V40 N41 F43L17-K45 HydrophobicContact CD1-CB 3.8Å; V40-K45 WeakPolarHBondContact CA-O 3.33Å; N41-K45 PolarHBondContact N-O 3.43Å; N41-K45 WeakPolarHBondContact OD1-CB 3.5Å; N41-K45 PolarHBondContact OD1-N 3.4Å; N41-K45 PolarHBondContact OD1-O 2.92Å; F43-K45 VanDerWaalsContact C-N 3.26Å; F43-K45 PolarHBondContact O-N 3.44Å
46E92.9Very high91.3Very high106 Ų10664 Ų6450%0.49532%0.316SS..EExtended strand (participates in β ladder)trans-110.5142.7-179.6-173.5172.7-161.900110.8T28 Q38 A39 V40T28-E46 PolarHBondContact OG1-OE1 3.44Å; T28-E46 VanDerWaalsContact OG1-OE1 3.11Å; Q38-E46 HydrophobicContact CG-CG 4.02Å; Q38-E46 WeakPolarHBondContact CG-OE1 3.49Å; Q38-E46 VanDerWaalsContact NE2-CD 3.28Å; Q38-E46 PolarHBondContact NE2-OE1 3.43Å; A39-E46 VanDerWaalsContact O-CA 3.31Å; A39-E46 WeakPolarHBondContact O-CA 3.27Å; V40-E46 HydrophobicContact CB-CB 4.43Å; V40-E46 HydrophobicContact CG2-CB 4.45Å
47G93.2Very high91Very high5 Ų562 Ų625%0.05231%0.31CS..EExtended strand (participates in β ladder)trans-178.2-178.8172.700000112.7G15 A39G15-G47 CarbonylContact O-C 3.5Å; G15-G47 WeakPolarHBondContact O-CA 3.11Å; A39-G47 PolarHBondContact N-O 3.48Å; A39-G47 PolarHBondContact O-N 3.37Å
48L93.9Very high90Very high49 Ų4968.4 Ų68.426%0.25734%0.342SS..EExtended strand (participates in β ladder)trans-84.3139.2179.5-60.1176.9000111.5G15 E16 L17 V32 W36 W37 Q38G15-L48 PolarHBondContact O-N 2.96Å; E16-L48 WeakPolarHBondContact CA-O 3.32Å; E16-L48 HydrophobicContact CG-CB 4.4Å; L17-L48 PolarHBondContact N-O 2.91Å; V32-L48 HydrophobicContact CB-CD2 3.97Å; V32-L48 HydrophobicContact CG1-CD2 3.92Å; V32-L48 HydrophobicContact CG2-CD2 3.85Å; W36-L48 HydrophobicContact CE3-CB 3.86Å; W36-L48 HydrophobicContact CZ3-CB 4.31Å; W37-L48 CarbonylContact O-C 3.58Å; W37-L48 WeakPolarHBondContact O-CA 3.48Å; Q38-L48 HydrophobicContact CB-CD2 4.05Å; Q38-L48 HydrophobicContact CG-CD2 4.37Å
49I93.4Very high88.5Confident1 Ų172.2 Ų72.21%0.00536%0.364CS..EExtended strand (participates in β ladder)trans-131150.6171.258.3141.5000110.2L17 V19 L25 I27 W36 W37 A39 S51 V54L17-I49 HydrophobicContact CB-CG2 3.99Å; L17-I49 HydrophobicContact CD2-CG2 4.45Å; V19-I49 HydrophobicContact CG1-CG2 4.19Å; V19-I49 HydrophobicContact CG2-CG2 4.21Å; L25-I49 HydrophobicContact CD1-CD1 4Å; L25-I49 HydrophobicContact CD1-CG2 4.34Å; I27-I49 HydrophobicContact CD1-CD1 4.21Å; W36-I49 WeakPolarHBondContact CA-O 3.45Å; W37-I49 HydrophobicContact CB-CG1 4.41Å; W37-I49 PolarHBondContact N-O 3.15Å; W37-I49 WeakPolarHBondContact O-CG1 3.4Å; W37-I49 PolarHBondContact O-N 3.08Å; A39-I49 HydrophobicContact CB-CD1 4.4Å; A39-I49 HydrophobicContact CB-CG1 4.08Å; I49-S51 PolarHBondContact O-N 3.47Å; I49-V54 HydrophobicContact CD1-CB 4.24Å; I49-V54 HydrophobicContact CD1-CG1 3.32Å; I49-V54 HydrophobicContact CD1-CG2 3.84Å
50P92.3Very high86Confident17 Ų1778 Ų7811%0.1140%0.401CS..EExtended strand (participates in β ladder)trans-65.8131.4170-17.630.9000110.4F9 G35 W36 E52 F53F9-P50 HydrophobicContact CD2-CG 3.91Å; F9-P50 HydrophobicContact CE2-CG 3.86Å; F9-P50 HydrophobicContact CG-CG 4.44Å; F9-P50 HydrophobicContact CZ-CG 4.35Å; G35-P50 CarbonylContact O-C 3.48Å; G35-P50 WeakPolarHBondContact O-CA 3.26Å; W36-P50 HydrophobicContact CE3-CG 4.28Å; W36-P50 HydrophobicContact CH2-CG 3.93Å; W36-P50 HydrophobicContact CZ2-CG 4.43Å; W36-P50 HydrophobicContact CZ3-CG 3.84Å; P50-E52 PolarHBondContact O-N 3.44Å; P50-F53 HydrophobicContact CB-CB 4.3Å; P50-F53 HydrophobicContact CB-CD2 3.57Å; P50-F53 HydrophobicContact CB-CE2 4.11Å; P50-F53 HydrophobicContact CB-CG 4.03Å; P50-F53 HydrophobicContact CG-CD2 3.91Å; P50-F53 HydrophobicContact CG-CE2 4.2Å; P50-F53 HydrophobicContact CG-CG 4.1Å; P50-F53 WeakPolarHBondContact O-CB 3.04Å; P50-F53 PolarHBondContact O-N 3.12Å
51S90.8Very high83.5Confident18 Ų1884.6 Ų84.613%0.12643%0.429CS..G310 helixtrans-59.1-32.4177.853.20000113.3G35 W37 I49 F53 V54G35-S51 VanDerWaalsContact C-OG 3.25Å; G35-S51 WeakPolarHBondContact CA-OG 3.39Å; G35-S51 PolarHBondContact O-N 3.04Å; G35-S51 PolarHBondContact O-OG 3.21Å; W37-S51 VanDerWaalsContact CE2-CB 3.45Å; I49-S51 PolarHBondContact O-N 3.47Å; S51-F53 PolarHBondContact O-N 2.96Å; S51-V54 VanDerWaalsContact O-CG2 3.31Å; S51-V54 WeakPolarHBondContact O-CG2 3.47Å; S51-V54 PolarHBondContact O-N 3.27Å
52E88.8Confident81Confident155 Ų15589.3 Ų89.372%0.72446%0.461SS*.G310 helixtrans-70.2-10.1176.1-61.2-66.3147.200113.6P50 V54P50-E52 PolarHBondContact O-N 3.44Å; E52-V54 VanDerWaalsContact C-N 3.33Å
53F93.2Very high78.7Confident61 Ų6188.6 Ų88.627%0.26847%0.469SS..G310 helixtrans-92.93.3-177.6-81.2-129.1000112.6V5 I6 Y7 D8 F9 P50 S51V5-F53 WeakPolarHBondContact CA-O 3.31Å; I6-F53 VanDerWaalsContact CG1-C 3.48Å; I6-F53 VanDerWaalsContact CG1-O 3.32Å; I6-F53 WeakPolarHBondContact CG1-O 3.48Å; I6-F53 PolarHBondContact N-O 3.36Å; Y7-F53 HydrophobicContact CD2-CG 4.47Å; D8-F53 WeakPolarHBondContact O-CE1 3.27Å; F9-F53 HydrophobicContact CB-CD1 3.77Å; F9-F53 HydrophobicContact CB-CE1 4.04Å; F9-F53 HydrophobicContact CD2-CD1 4.43Å; F9-F53 HydrophobicContact CD2-CE1 4.18Å; F9-F53 HydrophobicContact CG-CD1 4.45Å; P50-F53 HydrophobicContact CB-CB 4.3Å; P50-F53 HydrophobicContact CB-CD2 3.57Å; P50-F53 HydrophobicContact CB-CE2 4.11Å; P50-F53 HydrophobicContact CB-CG 4.03Å; P50-F53 HydrophobicContact CG-CD2 3.91Å; P50-F53 HydrophobicContact CG-CE2 4.2Å; P50-F53 HydrophobicContact CG-CG 4.1Å; P50-F53 WeakPolarHBondContact O-CB 3.04Å; P50-F53 PolarHBondContact O-N 3.12Å; S51-F53 PolarHBondContact O-N 2.96Å
54V93.7Very high76.5Confident14 Ų1486.4 Ų86.49%0.08547%0.469CS..EExtended strand (participates in β ladder)trans-135146.9-177.4-68.70000112.3V3 R4 V5 L25 W37 I49 S51 E52V3-V54 HydrophobicContact CB-CB 3.9Å; V3-V54 HydrophobicContact CB-CG1 4.41Å; V3-V54 HydrophobicContact CB-CG2 4.23Å; V3-V54 HydrophobicContact CG1-CG2 4.41Å; V3-V54 HydrophobicContact CG2-CB 3.82Å; V3-V54 HydrophobicContact CG2-CG1 3.8Å; V3-V54 HydrophobicContact CG2-CG2 4.13Å; R4-V54 CarbonylContact O-C 3.59Å; R4-V54 WeakPolarHBondContact O-CA 3.36Å; V5-V54 HydrophobicContact CB-CG1 4.49Å; V5-V54 HydrophobicContact CG2-CG1 3.93Å; L25-V54 HydrophobicContact CD1-CG1 4.38Å; W37-V54 HydrophobicContact CE3-CG2 3.68Å; W37-V54 HydrophobicContact CZ3-CG2 3.54Å; I49-V54 HydrophobicContact CD1-CB 4.24Å; I49-V54 HydrophobicContact CD1-CG1 3.32Å; I49-V54 HydrophobicContact CD1-CG2 3.84Å; S51-V54 VanDerWaalsContact O-CG2 3.31Å; S51-V54 WeakPolarHBondContact O-CG2 3.47Å; S51-V54 PolarHBondContact O-N 3.27Å; E52-V54 VanDerWaalsContact C-N 3.33Å
55E91.2Very high74.2Confident89 Ų8989.2 Ų89.242%0.41648%0.477SS..EExtended strand (participates in β ladder)trans-105.9142.6168.866.3179.2-170.700110.3V3 R4 I6V3-E55 CarbonylContact C-O 3.42Å; V3-E55 WeakPolarHBondContact CA-O 3.41Å; V3-E55 VanDerWaalsContact CB-O 3.27Å; V3-E55 WeakPolarHBondContact CB-O 3.49Å; R4-E55 HydrophobicContact CB-CG 3.82Å; R4-E55 PolarHBondContact N-O 3.04Å; R4-E55 IonicContact NH1-OE1 3.52Å; R4-E55 PolarHBondContact NH1-OE1 3Å; R4-E55 PolarHBondContact O-N 3.49Å; I6-E55 HydrophobicContact CG2-CB 3.95Å; I6-E55 HydrophobicContact CG2-CG 3.7Å
56I90.6Very high71.8Confident93 Ų9388.1 Ų88.148%0.47749%0.485SS..EExtended strand (participates in β ladder)trans-75.5128.4177.7-61.1172.1000109.4M1 V3 E58M1-I56 HydrophobicContact CE-CD1 4.5Å; M1-I56 HydrophobicContact CE-CG1 4.41Å; M1-I56 HydrophobicContact CG-CG2 4.16Å; M1-I56 HydrophobicContact SD-CD1 3.76Å; M1-I56 HydrophobicContact SD-CG1 3.91Å; M1-I56 HydrophobicContact SD-CG2 4.25Å; V3-I56 HydrophobicContact CG1-CG1 4.26Å; I56-E58 PolarHBondContact O-N 2.88Å
57I85.6Confident69.2Low38 Ų3888.7 Ų88.720%0.19550%0.498CS..  trans-8298.2172.2-57.1172.4000107.4R2 R4 E24 L59R2-I57 HydrophobicContact CB-CB 4.38Å; R2-I57 HydrophobicContact CB-CD1 4.31Å; R2-I57 PolarHBondContact O-N 2.73Å; R4-I57 HydrophobicContact CB-CD1 4.14Å; R4-I57 HydrophobicContact CB-CG1 4.13Å; E24-I57 HydrophobicContact CB-CD1 4.44Å; E24-I57 VanDerWaalsContact CD-CD1 3.49Å; E24-I57 HydrophobicContact CG-CD1 3.85Å; E24-I57 WeakPolarHBondContact OE1-CD1 3.49Å; I57-L59 PolarHBondContact O-N 3.39Å; I57-L59 VanDerWaalsContact O-N 3.15Å
58E71.2Confident66.6Low177 Ų17794.6 Ų94.683%0.82754%0.535SS*.  trans-67.1108.1171.4-69.2-176.2177.900109.4I56I56-E58 PolarHBondContact O-N 2.88Å
59L60.4Low63.8Low133 Ų133100 Ų10070%0.69656%0.564SS**PPolyproline II helixtrans-69.7136.1169.9-72.1170.1000108.7I57 E61I57-L59 PolarHBondContact O-N 3.39Å; I57-L59 VanDerWaalsContact O-N 3.15Å; L59-E61 PolarHBondContact O-N 3.34Å
60P42.8Very low61Low122 Ų122105.6 Ų105.679%0.79260%0.6SS**PPolyproline II helixtrans-59124.7-176.121.1-30.7000110.9
61E40Very low58.1Low174 Ų174109.7 Ų109.781%0.81364%0.635SS**PPolyproline II helixtrans-61.6137.8175.2-64.6-170.2155.300110.2L59L59-E61 PolarHBondContact O-N 3.34Å
62P37.2Very low55.5Low114 Ų114115.3 Ų115.374%0.7467%0.669SS**PPolyproline II helixtrans-62.2147174.625.6-31.8000110.4T64P62-T64 PolarHBondContact O-N 2.89Å
63P39.5Very low52.7Low127 Ų127116.3 Ų116.383%0.82567%0.674SS**PPolyproline II helixtrans-58.6133.6-17021.4-31.9000112.1
64T41.3Very low50Low125 Ų125123.4 Ų123.477%0.76771%0.705SS**PPolyproline II helixtrans-64.7128.7178.744.30000110.8P62P62-T64 PolarHBondContact O-N 2.89Å
65P37.7Very low46.9Very low115 Ų115126.2 Ų126.275%0.74774%0.736SS**PPolyproline II helixtrans-70.5152.3172.28.10.1000111.1
66P37.4Very low44.2Very low117 Ų117131.7 Ų131.776%0.7676%0.759SS**PPolyproline II helixtrans-67.4156.2-173.628.1-33.5000112.3
67P39.9Very low41.5Very low119 Ų119136.9 Ų136.977%0.77378%0.781SS**PPolyproline II helixtrans-66152.4-169.925.2-34000113.3
68P37.6Very low39.1Very low128 Ų128140.8 Ų140.883%0.83181%0.807SS**PPolyproline II helixtrans-76.3147.2-171.1-6.724.5000112.5
69L34.5Very low37.2Very low164 Ų164139 Ų13986%0.85980%0.803SS**PPolyproline II helixtrans-72.3154.7174.2-74.2167.1000112.4
70P34.7Very low35.9Very low117 Ų117141.1 Ų141.176%0.7680%0.801SS**PPolyproline II helixtrans-68.1150.6-168.5-16.230.4000114.5
71A32.2Very low35.8Very low103 Ų103144.9 Ų144.985%0.85180%0.801SS**PPolyproline II helixtrans-70.5127.7-172.100000113.5
72T35Very low35.5Very low137 Ų137143.1 Ų143.184%0.8480%0.797SS**PPolyproline II helixtrans-96119.7168.6-33.50000109.6F74T72-F74 PolarHBondContact O-N 2.98Å
73E31.9Very low35.3Very low176 Ų176144.4 Ų144.482%0.82279%0.793SS**PPolyproline II helixtrans-67.3119.2175.4-65.4176.2150.900111
74F35.3Very low35Very low210 Ų210145.4 Ų145.492%0.92178%0.781SS**  trans-156.689.1143-95.4-69.7000108.6T72T72-F74 PolarHBondContact O-N 2.98Å
75G29.1Very low35Very low73 Ų73142.3 Ų142.375%0.75376%0.76SS**  trans-75.4117.7169.900000111.1
76K33.4Very low35.1Very low203 Ų203141.7 Ų141.788%0.88375%0.75SS**  trans-142.897.2143.4-81-166.5176.3175.30107.1V78K76-V78 PolarHBondContact O-N 3.47Å
77E34.7Very low35.1Very low202 Ų202142.7 Ų142.794%0.94474%0.744SS**  trans-64.7107.7170.2-76173.513700109.4
78V34.5Very low35.5Very low121 Ų121139.4 Ų139.473%0.73372%0.717SS**  trans-135.9106156.1179.90000106K76 R80K76-V78 PolarHBondContact O-N 3.47Å; V78-R80 PolarHBondContact O-N 3.06Å; V78-R80 VanDerWaalsContact O-N 3.12Å
79D33.1Very low36Very low140 Ų140134.2 Ų134.275%0.74968%0.682SS**  trans37.356.9156.1-60.7-35.6000118Y81D79-Y81 PolarHBondContact O-N 2.8Å
80R32Very low36.3Very low176 Ų176130 Ų13066%0.66467%0.667SS**THydrogen-bonded Turntrans-82.227.1172.2-149.1-172-84.4-168.5-5.7113.6V78 E83V78-R80 PolarHBondContact O-N 3.06Å; V78-R80 VanDerWaalsContact O-N 3.12Å; R80-E83 HydrophobicContact CG-CB 4.42Å
81Y40.3Very low36.6Very low202 Ų202129 Ų12979%0.79266%0.655SS**THydrogen-bonded Turntrans-81.5-27.1179-75.7-73.3000113.3D79D79-Y81 PolarHBondContact O-N 2.8Å
82D34.9Very low36.9Very low136 Ų136132.7 Ų132.773%0.72765%0.654SS**SBendtrans-86.4-28.8-176.4-72.5-26.5000113.7W84 D85D82-W84 PolarHBondContact O-N 2.81Å; D82-D85 PolarHBondContact O-N 2.85Å
83E32.3Very low37Very low141 Ų141133.8 Ų133.866%0.65966%0.655SS**Hα-helixtrans-71.1-19179.2-136.9173-161.800112.5R80R80-E83 HydrophobicContact CG-CB 4.42Å
84W34.5Very low36.9Very low148 Ų148132.8 Ų132.856%0.56166%0.655SS**Hα-helixtrans-82.7-9.2-179.5-82.364.7000114.3D82D82-W84 PolarHBondContact O-N 2.81Å
85D40.8Very low36.6Very low61 Ų61130.6 Ų130.633%0.32665%0.653SS.*Hα-helixtrans-88.5-28.7178-96.2-7000112.8D82 W88 K226D82-D85 PolarHBondContact O-N 2.85Å; D85-W88 PolarHBondContact O-N 3.2Å; D85-K226 WeakPolarHBondContact OD1-CE 3.48Å; D85-K226 IonicContact OD1-NZ 3.01Å; D85-K226 PolarHBondContact OD1-NZ 3.09Å
86D38.4Very low36.6Very low102 Ų102133 Ų13355%0.54565%0.654SS.*Hα-helixtrans-75.6-31.1-177.2-76.7-33.9000113.9W88 S90D86-W88 VanDerWaalsContact C-N 3.35Å; D86-S90 WeakPolarHBondContact O-CB 3.43Å; D86-S90 PolarHBondContact O-N 3.12Å; D86-S90 PolarHBondContact O-OG 3.39Å
87E39.3Very low36.1Very low137 Ų137129.6 Ų129.664%0.6466%0.656SS**THydrogen-bonded Turntrans-72.8-24.3175.1-84.5-168.3170.100113.4D89E87-D89 VanDerWaalsContact C-N 3.35Å
88W46.5Very low35.8Very low50 Ų50125.2 Ų125.219%0.18965%0.648CS.*THydrogen-bonded Turntrans-79.3-19.3-179.9-82.177.5000113.7D85 D86 K200 K205D85-W88 PolarHBondContact O-N 3.2Å; D86-W88 VanDerWaalsContact C-N 3.35Å; W88-K200 HydrophobicContact CE3-CD 3.96Å; W88-K200 HydrophobicContact CZ3-CD 4.13Å; W88-K200 PolarHBondContact O-NZ 3.15Å; W88-K205 HydrophobicContact CH2-CB 4.4Å; W88-K205 HydrophobicContact CH2-CD 3.83Å; W88-K205 HydrophobicContact CZ2-CD 3.91Å; W88-K205 HydrophobicContact CZ3-CD 4.46Å
89D50Low35.6Very low19 Ų19127 Ų12710%0.10265%0.653CS.*SBendtrans-115.48.8-174.4-71.4-13000112.6E87 K300 K303E87-D89 VanDerWaalsContact C-N 3.35Å; D89-K300 HydrophobicContact CB-CD 4.33Å; D89-K300 PolarHBondContact O-NZ 3.17Å; D89-K303 IonicContact OD2-NZ 2.69Å; D89-K303 PolarHBondContact OD2-NZ 3.2Å
90S39.9Very low35.2Very low77 Ų77129.7 Ų129.754%0.53866%0.659SS.*  trans-104.659178.3-62.70000111.7D86 E92D86-S90 WeakPolarHBondContact O-CB 3.43Å; D86-S90 PolarHBondContact O-N 3.12Å; D86-S90 PolarHBondContact O-OG 3.39Å; S90-E92 PolarHBondContact O-N 3.35Å; S90-E92 VanDerWaalsContact O-N 3.13Å
91D40.1Very low35.1Very low96 Ų96130.7 Ų130.751%0.51367%0.668SS.*  trans-82.966.7167.1-67.6-42000109.1K200D91-K200 IonicContact OD2-NZ 2.79Å; D91-K200 PolarHBondContact OD2-NZ 2.98Å
92E40.3Very low35.1Very low179 Ų179126.4 Ų126.484%0.83667%0.665SS**  trans-103.878.6158.4-76.8-146.7164.700108.3S90S90-E92 PolarHBondContact O-N 3.35Å; S90-E92 VanDerWaalsContact O-N 3.13Å
93N35.6Very low34.6Very low160 Ų160126.1 Ų126.186%0.85666%0.663SS**  trans-156.919.5162.2-92.6-38.2000114.5
94D29.5Very low34.5Very low155 Ų155127.1 Ų127.183%0.82967%0.673SS**  trans-125.663.7172.8-74-37.5000111
95L30.4Very low34Very low165 Ų165126.1 Ų126.186%0.86468%0.675SS**SBendtrans-133.5129.1156.5-79.3170.5000109.1S97L95-S97 PolarHBondContact O-N 2.78Å
96P27.5Very low33.3Very low122 Ų122132.6 Ų132.679%0.79270%0.696SS**  trans-69.7130-173.827.1-32.5000111.2S98P96-S98 PolarHBondContact O-N 3.48Å
97S24.4Very low32.8Very low132 Ų132136.8 Ų136.892%0.92371%0.712SS**  trans-52.1117.6173.3-82.20000111.9L95L95-S97 PolarHBondContact O-N 2.78Å
98S28.8Very low32.1Very low110 Ų110139.3 Ų139.377%0.76972%0.724SS**  trans-141.1119.1149.968.60000111.8P96P96-S98 PolarHBondContact O-N 3.48Å
99N29.7Very low31.2Very low158 Ų158142.6 Ų142.685%0.84575%0.752SS**  trans47.892.6151.2-68.3-15.8000121.8
100K24.4Very low30.2Very low198 Ų198148.6 Ų148.686%0.86179%0.789SS**  7.8135.3122.3-74.7-179.8176.3175.50120.3
101K28.8Very low29.4Very low196 Ų196153.7 Ų153.785%0.85280%0.804SS**  trans102.3151.2142.1-83-170-177.9-1730118.4
102P40.4Very low28.6Very low113 Ų113155.1 Ų155.173%0.73482%0.82SS**  -136.3-175.6-70.432.8-10.2000112.8
103N25.1Very low27.9Very low129 Ų129151.9 Ų151.969%0.6982%0.817SS**  trans88.7104159.2-128.536000116.6
104D30Very low27.2Very low162 Ų162150 Ų15087%0.86681%0.812SS**  -156.6140.5110.8-111.2-24000112.2
105Q23.3Very low27.2Very low128 Ų128148 Ų14860%0.59881%0.81SS**  trans-92.8166.5-171.4-68.9176.6-28.500111.8
106Y26.6Very low26.9Very low197 Ų197148.3 Ų148.377%0.77381%0.807SS**  trans83.2103162.7-57.4-82.3000117.5
107Q28.4Very low27.1Very low189 Ų189148.9 Ų148.988%0.88381%0.809SS**  -168.8120.490.5-91.7170.311.300109.4
108Q25.1Very low27Very low190 Ų190147 Ų14789%0.88881%0.81SS**  trans-70.3143.3175.9-79.1176.5-8.200110.9
109P27.6Very low26.9Very low120 Ų120144.8 Ų144.878%0.77981%0.805SS**  trans-83.5147.8173.24.713.9000111.7E111P109-E111 PolarHBondContact O-N 3.34Å
110V29Very low26.8Very low145 Ų145147.8 Ų147.888%0.87981%0.81SS**  trans-63.6115.7-179-1670000110.4
111E21.6Very low26.9Very low183 Ų183147 Ų14786%0.85581%0.809SS**  trans-68.3121.6166-67.5177.2156.300109.2P109P109-E111 PolarHBondContact O-N 3.34Å
112C23.8Very low26.8Very low127 Ų127148.8 Ų148.886%0.85881%0.811SS**  trans-121.5110.6157.5-164.70000108.3
113S25.4Very low26.3Very low110 Ų110151.1 Ų151.177%0.76982%0.817SS**  trans-49.7130.1-171-55.20000115S115S113-S115 PolarHBondContact O-N 2.66Å
114T22.5Very low26.6Very low121 Ų121153.1 Ų153.174%0.74282%0.822SS**  trans-65.4111.1163.1-42.10000110Q116T114-Q116 HydrophobicContact CG2-CG 4.03Å; T114-Q116 PolarHBondContact O-N 2.72Å
115S29.4Very low26.8Very low112 Ų112153.8 Ų153.878%0.78382%0.824SS**  trans-90.791161.746.60000109.4S113 T117S113-S115 PolarHBondContact O-N 2.66Å; S115-T117 PolarHBondContact O-N 2.93Å
116Q24.2Very low27.3Very low172 Ų172154 Ų15480%0.80484%0.835SS**  trans-67.3111.5159-64.4178.18.100108.3T114T114-Q116 HydrophobicContact CG2-CG 4.03Å; T114-Q116 PolarHBondContact O-N 2.72Å
117T30.3Very low27.8Very low135 Ų135149.4 Ų149.483%0.82883%0.831SS**  trans-138.8102151.539.30000108.9S115 G119S115-T117 PolarHBondContact O-N 2.93Å; T117-G119 PolarHBondContact O-N 3.42Å
118G22.3Very low28.7Very low92 Ų92145.1 Ų145.195%0.94883%0.828SS**  trans-68118.9162.900000109.2
119G26.8Very low29.6Very low64 Ų64140.6 Ų140.666%0.6682%0.817SS**  trans-137.398.1170.800000108.8T117 Q121T117-G119 PolarHBondContact O-N 3.42Å; G119-Q121 VanDerWaalsContact C-N 3.33Å; G119-Q121 PolarHBondContact O-N 2.8Å
120K27.3Very low30.6Very low221 Ų221142.3 Ų142.396%0.96182%0.82SS**  trans-62.293.5165.4-72.2176.7175177.40108.1
121Q27.6Very low32.6Very low180 Ų180139.6 Ų139.684%0.84180%0.8SS**  trans-110.5115167.7-80.6-173.4-13.100109.2G119G119-Q121 VanDerWaalsContact C-N 3.33Å; G119-Q121 PolarHBondContact O-N 2.8Å
122R26.8Very low35.2Very low235 Ų235134.7 Ų134.789%0.88778%0.783SS**  trans-42.7134.4170.6-91.2166.7147.6158-8110.9H124R122-H124 PolarHBondContact O-N 2.92Å
123D30.1Very low38.1Very low162 Ų162132.4 Ų132.487%0.86676%0.762SS**  trans-43.2103.3172.7-62-52.9000111.5L125D123-L125 PolarHBondContact O-N 3.41Å
124H31.5Very low41Very low171 Ų171134.9 Ų134.979%0.79276%0.756SS**  trans-69.6114.7158.6-92.9-65.4000106.8R122 V126R122-H124 PolarHBondContact O-N 2.92Å; H124-V126 PolarHBondContact O-N 2.63Å
125L32.9Very low44.1Very low175 Ų175131.6 Ų131.692%0.91674%0.735SS**  trans-51.490.1163.8-85129.5000109.2D123 S127D123-L125 PolarHBondContact O-N 3.41Å; L125-S127 PolarHBondContact O-N 2.69Å
126V35Very low46.8Very low134 Ų134128.2 Ų128.281%0.81271%0.705SS**  trans-70.9117.1169-177.40000106.9H124 A128H124-V126 PolarHBondContact O-N 2.63Å; V126-A128 PolarHBondContact O-N 2.69Å
127S35.9Very low50.1Low100 Ų100121.7 Ų121.770%0.69968%0.676SS**  trans-32.8123.7174.5-172.10000113.7L125 S129L125-S127 PolarHBondContact O-N 2.69Å; S127-S129 PolarHBondContact O-N 3.1Å
128A47.8Very low53Low99 Ų99117.3 Ų117.382%0.81865%0.653SS**THydrogen-bonded Turntrans-71.516.8-171.400000115.9V126V126-A128 PolarHBondContact O-N 2.69Å
129S43.8Very low56.3Low94 Ų94113.8 Ų113.866%0.65761%0.613SS**THydrogen-bonded Turntrans-98.2-5.4-161.1-166.70000117.2S127S127-S129 PolarHBondContact O-N 3.1Å
130N48.1Very low59.5Low157 Ų157110.7 Ų110.784%0.8458%0.581SS**SBendtrans-135.223.9-178.5-84.1-13.2000114.7V132N130-V132 PolarHBondContact O-N 3.17Å
131N71.1Confident62.7Low87 Ų87106.8 Ų106.847%0.46556%0.56SS.*  trans-97.469.9-162.9-149.9-15.7000113D133 Y134 V135N131-D133 PolarHBondContact O-N 3.08Å; N131-Y134 VanDerWaalsContact CG-CB 3.45Å; N131-Y134 WeakPolarHBondContact O-CB 3.48Å; N131-Y134 PolarHBondContact O-N 2.93Å; N131-Y134 PolarHBondContact OD1-N 3.35Å; N131-V135 PolarHBondContact O-N 3.04Å
132V77.3Confident65.9Low80 Ų80105.7 Ų105.749%0.48555%0.548SS..Hα-helixtrans-52.3-37.4174.4178.30000110.9N130 V135 R136N130-V132 PolarHBondContact O-N 3.17Å; V132-V135 PolarHBondContact O-N 3.44Å; V132-R136 WeakPolarHBondContact O-CG 3.26Å; V132-R136 PolarHBondContact O-N 3.39Å
133D83.6Confident69.2Low79 Ų7997 Ų9742%0.42252%0.517SS..Hα-helixtrans-60.2-44.9174.5-72-38.3000113N131 V135 R136 N137N131-D133 PolarHBondContact O-N 3.08Å; D133-V135 VanDerWaalsContact C-N 3.32Å; D133-V135 PolarHBondContact O-N 3.41Å; D133-R136 VanDerWaalsContact O-CG 3.31Å; D133-R136 WeakPolarHBondContact O-CG 3.4Å; D133-R136 IonicContact OD1-CZ 2.83Å; D133-R136 IonicContact OD1-NE 2.91Å; D133-R136 PolarHBondContact OD1-NE 3.29Å; D133-R136 IonicContact OD1-NH2 3.26Å; D133-R136 PolarHBondContact OD1-NH2 3.39Å; D133-N137 WeakPolarHBondContact O-CB 3.32Å; D133-N137 PolarHBondContact O-N 2.98Å; D133-N137 PolarHBondContact O-ND2 3.31Å
134Y86.6Confident72.4Confident163 Ų16389.7 Ų89.764%0.63948%0.478SS*.Hα-helixtrans-60.6-43.3177.7178.9-95.9000111.8N131 A138N131-Y134 VanDerWaalsContact CG-CB 3.45Å; N131-Y134 WeakPolarHBondContact O-CB 3.48Å; N131-Y134 PolarHBondContact O-N 2.93Å; N131-Y134 PolarHBondContact OD1-N 3.35Å; Y134-A138 HydrophobicContact CE1-CB 4.49Å; Y134-A138 WeakPolarHBondContact O-CB 3.38Å; Y134-A138 PolarHBondContact O-N 3.2Å
135V86.7Confident75.3Confident52 Ų5287 Ų8732%0.31547%0.465SS..Hα-helixtrans-63.4-49.2-177.9178.70000111.3N131 V132 D133 A138 L139 K467 L468N131-V135 PolarHBondContact O-N 3.04Å; V132-V135 PolarHBondContact O-N 3.44Å; D133-V135 VanDerWaalsContact C-N 3.32Å; D133-V135 PolarHBondContact O-N 3.41Å; V135-A138 PolarHBondContact O-N 3Å; V135-L139 PolarHBondContact O-N 2.89Å; V135-L139 VanDerWaalsContact O-N 3.08Å; V135-K467 HydrophobicContact CG1-CB 4.15Å; V135-L468 HydrophobicContact CG1-CD2 4.5Å; V135-L468 HydrophobicContact CG1-CG 4.45Å
136R87.7Confident78.2Confident40 Ų4088 Ų8815%0.15146%0.457CS..Hα-helixtrans-65.9-41.9-179.265-169-175151.14.6112.8V132 D133 L139 I140 L158 L468 D472V132-R136 WeakPolarHBondContact O-CG 3.26Å; V132-R136 PolarHBondContact O-N 3.39Å; D133-R136 VanDerWaalsContact O-CG 3.31Å; D133-R136 WeakPolarHBondContact O-CG 3.4Å; D133-R136 IonicContact OD1-CZ 2.83Å; D133-R136 IonicContact OD1-NE 2.91Å; D133-R136 PolarHBondContact OD1-NE 3.29Å; D133-R136 IonicContact OD1-NH2 3.26Å; D133-R136 PolarHBondContact OD1-NH2 3.39Å; R136-L139 PolarHBondContact O-N 3.2Å; R136-I140 PolarHBondContact O-N 3.41Å; R136-L158 HydrophobicContact CB-CD1 4.34Å; R136-L158 HydrophobicContact CB-CD2 4Å; R136-L158 HydrophobicContact CG-CD1 3.8Å; R136-L158 HydrophobicContact CG-CD2 4.24Å; R136-L468 HydrophobicContact CB-CD2 3.59Å; R136-D472 WeakPolarHBondContact CD-OD2 3.4Å; R136-D472 IonicContact CZ-OD2 3.05Å; R136-D472 IonicContact NH1-OD1 3.49Å; R136-D472 IonicContact NH1-OD2 3.99Å; R136-D472 PolarHBondContact NH1-OD2 3.48Å
137N91.9Very high81Confident35 Ų3583.3 Ų83.319%0.18743%0.43CS..Hα-helixtrans-68.6-39.8177.1-70.3-56.5000111.3D133 L139 I140 R141 E154D133-N137 WeakPolarHBondContact O-CB 3.32Å; D133-N137 PolarHBondContact O-N 2.98Å; D133-N137 PolarHBondContact O-ND2 3.31Å; N137-L139 VanDerWaalsContact C-N 3.33Å; N137-L139 PolarHBondContact O-N 2.86Å; N137-I140 PolarHBondContact O-N 3.26Å; N137-R141 VanDerWaalsContact O-CB 3.28Å; N137-R141 WeakPolarHBondContact O-CB 3.4Å; N137-R141 WeakPolarHBondContact O-CG 3.31Å; N137-R141 PolarHBondContact O-N 2.95Å; N137-E154 VanDerWaalsContact CB-OE1 3.26Å; N137-E154 WeakPolarHBondContact CB-OE1 3.34Å; N137-E154 PolarHBondContact OD1-OE1 2.94Å
138A92.4Very high83.7Confident43 Ų4379.2 Ų79.236%0.35540%0.4SS..Hα-helixtrans-62.3-39.4177.200000112.5Y134 V135 R142Y134-A138 HydrophobicContact CE1-CB 4.49Å; Y134-A138 WeakPolarHBondContact O-CB 3.38Å; Y134-A138 PolarHBondContact O-N 3.2Å; V135-A138 PolarHBondContact O-N 3Å; A138-R142 WeakPolarHBondContact O-CB 3.43Å; A138-R142 PolarHBondContact O-N 3.18Å
139L92.1Very high85.9Confident18 Ų1876 Ų769%0.09437%0.369CS..Hα-helixtrans-59.9-51.5175.3174.866000111.6V135 R136 N137 R142 T454 E457 L458 L468 I476V135-L139 PolarHBondContact O-N 2.89Å; V135-L139 VanDerWaalsContact O-N 3.08Å; R136-L139 PolarHBondContact O-N 3.2Å; N137-L139 VanDerWaalsContact C-N 3.33Å; N137-L139 PolarHBondContact O-N 2.86Å; L139-R142 WeakPolarHBondContact O-CB 3.29Å; L139-R142 PolarHBondContact O-N 3.33Å; L139-T454 HydrophobicContact CG-CG2 4.2Å; L139-E457 HydrophobicContact CD1-CB 3.94Å; L139-E457 HydrophobicContact CD1-CG 3.61Å; L139-L458 HydrophobicContact CD2-CB 4.03Å; L139-L458 HydrophobicContact CD2-CD1 3.7Å; L139-L458 HydrophobicContact CD2-CG 4.44Å; L139-L468 HydrophobicContact CD2-CD1 3.86Å; L139-I476 HydrophobicContact CD2-CD1 4.21Å
140I93.3Very high88.2Confident0 Ų080.8 Ų80.80%037%0.372CS..Hα-helixtrans-65.3-47-179.5-66.6168.3000110.5R136 N137 R142 F143 F144 C153 E154 L157 L158R136-I140 PolarHBondContact O-N 3.41Å; N137-I140 PolarHBondContact O-N 3.26Å; I140-R142 PolarHBondContact O-N 2.98Å; I140-R142 VanDerWaalsContact O-N 3.09Å; I140-F143 PolarHBondContact O-N 3.32Å; I140-F144 HydrophobicContact CG2-CD2 4.03Å; I140-F144 HydrophobicContact CG2-CE2 4.4Å; I140-F144 VanDerWaalsContact O-CD2 3.32Å; I140-F144 WeakPolarHBondContact O-CD2 3.31Å; I140-F144 PolarHBondContact O-N 2.86Å; I140-C153 WeakPolarHBondContact CG2-SG 3.48Å; I140-E154 HydrophobicContact CG2-CG 4.08Å; I140-L157 HydrophobicContact CD1-CB 3.86Å; I140-L157 HydrophobicContact CD1-CD1 4.28Å; I140-L157 HydrophobicContact CG1-CD1 4.19Å; I140-L157 HydrophobicContact CG2-CD1 3.98Å; I140-L158 HydrophobicContact CD1-CD1 3.98Å; I140-L158 HydrophobicContact CD1-CD2 3.69Å; I140-L158 HydrophobicContact CD1-CG 3.6Å
141R95Very high90.3Very high138 Ų13877 Ų7752%0.52135%0.352SS..Hα-helixtrans-66.5-13.9-177.6-68.6179.7-176.7-157.7-0.7114.2N137 I149 E154N137-R141 VanDerWaalsContact O-CB 3.28Å; N137-R141 WeakPolarHBondContact O-CB 3.4Å; N137-R141 WeakPolarHBondContact O-CG 3.31Å; N137-R141 PolarHBondContact O-N 2.95Å; R141-I149 HydrophobicContact CB-CD1 4Å; R141-I149 HydrophobicContact CG-CD1 3.9Å; R141-I149 HydrophobicContact CG-CG1 4.31Å; R141-I149 HydrophobicContact CG-CG2 4.17Å; R141-E154 WeakPolarHBondContact CD-OE1 3.21Å; R141-E154 WeakPolarHBondContact CG-OE1 3.4Å; R141-E154 IonicContact CZ-OE1 3.89Å; R141-E154 IonicContact CZ-OE2 3.4Å; R141-E154 IonicContact NE-OE1 3.46Å; R141-E154 PolarHBondContact NE-OE1 3.08Å; R141-E154 IonicContact NE-OE2 2.98Å; R141-E154 PolarHBondContact NE-OE2 2.65Å; R141-E154 IonicContact NH2-OE1 3.06Å; R141-E154 PolarHBondContact NH2-OE1 2.85Å; R141-E154 IonicContact NH2-OE2 3.91Å; R141-E154 PolarHBondContact NH2-OE2 3.49Å
142R95.3Very high91.4Very high157 Ų15773.2 Ų73.259%0.59233%0.334SS*.Hα-helixtrans-67-39.2-179.1-176.9172.4177.8178-7.5113A138 L139 I140 E457A138-R142 WeakPolarHBondContact O-CB 3.43Å; A138-R142 PolarHBondContact O-N 3.18Å; L139-R142 WeakPolarHBondContact O-CB 3.29Å; L139-R142 PolarHBondContact O-N 3.33Å; I140-R142 PolarHBondContact O-N 2.98Å; I140-R142 VanDerWaalsContact O-N 3.09Å; R142-E457 IonicContact CZ-OE1 2.8Å; R142-E457 IonicContact NH1-OE1 3.21Å; R142-E457 PolarHBondContact NH1-OE1 3.48Å
143F95.5Very high92.2Very high54 Ų5469.4 Ų69.424%0.23731%0.311CS..Hα-helixtrans-111.9-31.3-170.8-58.5-70.2000113.5I140 A450 L453 T454 E457I140-F143 PolarHBondContact O-N 3.32Å; F143-A450 HydrophobicContact CB-CB 4.21Å; F143-A450 WeakPolarHBondContact O-CB 3.38Å; F143-L453 HydrophobicContact CB-CB 4.32Å; F143-L453 HydrophobicContact CD1-CB 3.68Å; F143-L453 HydrophobicContact CD1-CD1 3.93Å; F143-L453 HydrophobicContact CD1-CG 4.38Å; F143-L453 HydrophobicContact CD2-CB 4.17Å; F143-L453 HydrophobicContact CE1-CB 3.93Å; F143-L453 HydrophobicContact CE1-CD1 4.4Å; F143-L453 HydrophobicContact CE2-CB 4.39Å; F143-L453 WeakPolarHBondContact CE2-O 3.32Å; F143-L453 HydrophobicContact CG-CB 3.8Å; F143-L453 HydrophobicContact CZ-CB 4.27Å; F143-T454 WeakPolarHBondContact CD2-OG1 3.47Å; F143-E457 HydrophobicContact CE2-CB 3.7Å; F143-E457 HydrophobicContact CE2-CG 4.08Å; F143-E457 HydrophobicContact CZ-CB 3.97Å; F143-E457 HydrophobicContact CZ-CG 4.28Å
144F96.1Very high92.8Very high7 Ų766.6 Ų66.63%0.03130%0.295CS..SBendtrans-75.6134.5-179.8-73.2-95.3000111.4I140 F148 I149 L157 L314 L447 A450 A451 T454 I483I140-F144 HydrophobicContact CG2-CD2 4.03Å; I140-F144 HydrophobicContact CG2-CE2 4.4Å; I140-F144 VanDerWaalsContact O-CD2 3.32Å; I140-F144 WeakPolarHBondContact O-CD2 3.31Å; I140-F144 PolarHBondContact O-N 2.86Å; F144-F148 HydrophobicContact CB-CB 4.47Å; F144-F148 HydrophobicContact CD1-CB 4.27Å; F144-I149 HydrophobicContact CB-CG1 4.15Å; F144-I149 VanDerWaalsContact O-CD1 3.28Å; F144-I149 WeakPolarHBondContact O-CD1 3.38Å; F144-L157 HydrophobicContact CE2-CD1 3.72Å; F144-L157 HydrophobicContact CZ-CD1 3.72Å; F144-L314 HydrophobicContact CD1-CD2 4.45Å; F144-L314 HydrophobicContact CE1-CD2 4.35Å; F144-L447 HydrophobicContact CD1-CD1 3.71Å; F144-L447 HydrophobicContact CE1-CD1 3.49Å; F144-L447 VanDerWaalsContact CE1-CD1 3.49Å; F144-A450 HydrophobicContact CD1-CB 3.97Å; F144-A450 HydrophobicContact CD2-CB 4.27Å; F144-A450 HydrophobicContact CE1-CB 4.17Å; F144-A450 HydrophobicContact CE2-CB 4.47Å; F144-A450 HydrophobicContact CG-CB 4.04Å; F144-A450 HydrophobicContact CZ-CB 4.42Å; F144-A451 HydrophobicContact CZ-CB 4.06Å; F144-T454 HydrophobicContact CE2-CG2 4.35Å; F144-T454 VanDerWaalsContact CE2-OG1 3.25Å; F144-T454 WeakPolarHBondContact CE2-OG1 3.12Å; F144-I483 HydrophobicContact CE1-CD1 4.41Å; F144-I483 HydrophobicContact CZ-CD1 4.43Å
145H93.8Very high93.2Very high116 Ų11661.3 Ų61.354%0.53728%0.278SS..  trans-61.2150.6174.1-177.1-103000111.7S147 F148 I149H145-S147 PolarHBondContact ND1-N 2.94Å; H145-S147 PolarHBondContact ND1-OG 2.8Å; H145-S147 PolarHBondContact O-N 2.94Å; H145-F148 HydrophobicContact CB-CD2 3.95Å; H145-F148 HydrophobicContact CB-CE2 4.25Å; H145-F148 PolarHBondContact O-N 3.48Å; H145-I149 PolarHBondContact O-N 3.24Å
146R94Very high93.6Very high194 Ų19459.8 Ų59.873%0.73227%0.267SS*.Hα-helixtrans-55.8-26.7-177.8-70.3-172.5178.7-153.30.9114.3R150R146-R150 WeakPolarHBondContact O-CG 3.41Å; R146-R150 PolarHBondContact O-N 3.19Å; R146-R150 PolarHBondContact O-NE 3.2Å
147S92.4Very high94.1Very high37 Ų3758 Ų5826%0.25926%0.26SS..Hα-helixtrans-64.7-44.8173.955.50000111.8H145 N151H145-S147 PolarHBondContact ND1-N 2.94Å; H145-S147 PolarHBondContact ND1-OG 2.8Å; H145-S147 PolarHBondContact O-N 2.94Å; S147-N151 WeakPolarHBondContact O-CB 3.42Å; S147-N151 PolarHBondContact O-N 2.88Å; S147-N151 PolarHBondContact O-ND2 2.9Å
148F94Very high94.2Very high13 Ų1356.4 Ų56.46%0.05725%0.252CS..Hα-helixtrans-69.2-41.1179.1-59.2-55.5000111.7F144 H145 R150 N151 C153 L314 T443 L447F144-F148 HydrophobicContact CB-CB 4.47Å; F144-F148 HydrophobicContact CD1-CB 4.27Å; H145-F148 HydrophobicContact CB-CD2 3.95Å; H145-F148 HydrophobicContact CB-CE2 4.25Å; H145-F148 PolarHBondContact O-N 3.48Å; F148-R150 VanDerWaalsContact C-N 3.33Å; F148-R150 PolarHBondContact O-N 3.27Å; F148-N151 CarbonylContact O-C 3.4Å; F148-N151 PolarHBondContact O-N 3.44Å; F148-C153 VanDerWaalsContact O-CB 3.29Å; F148-C153 WeakPolarHBondContact O-CB 3.14Å; F148-C153 PolarHBondContact O-N 3.46Å; F148-L314 HydrophobicContact CB-CD1 4.15Å; F148-L314 HydrophobicContact CB-CD2 4.12Å; F148-L314 HydrophobicContact CD1-CD1 3.64Å; F148-L314 HydrophobicContact CE1-CD1 4.5Å; F148-L314 HydrophobicContact CG-CD1 4.27Å; F148-T443 HydrophobicContact CE1-CG2 4.39Å; F148-T443 HydrophobicContact CZ-CG2 3.82Å; F148-L447 HydrophobicContact CD1-CD1 4.01Å; F148-L447 HydrophobicContact CD1-CD2 4.47Å; F148-L447 HydrophobicContact CD2-CD1 3.92Å; F148-L447 HydrophobicContact CE1-CB 4.28Å; F148-L447 HydrophobicContact CE1-CD1 4.11Å; F148-L447 HydrophobicContact CE1-CD2 4.05Å; F148-L447 HydrophobicContact CE1-CG 4.38Å; F148-L447 HydrophobicContact CE2-CB 3.92Å; F148-L447 HydrophobicContact CE2-CD1 4.03Å; F148-L447 HydrophobicContact CG-CD1 3.91Å; F148-L447 HydrophobicContact CZ-CB 3.72Å; F148-L447 HydrophobicContact CZ-CD1 4.13Å; F148-L447 HydrophobicContact CZ-CD2 4.33Å; F148-L447 HydrophobicContact CZ-CG 4.28Å
149I93.3Very high94.3Very high32 Ų3255.5 Ų55.516%0.16425%0.247CC..Hα-helixtrans-56.9-47.8177.2-62.7164.8000110.7R141 F144 H145 N151R141-I149 HydrophobicContact CB-CD1 4Å; R141-I149 HydrophobicContact CG-CD1 3.9Å; R141-I149 HydrophobicContact CG-CG1 4.31Å; R141-I149 HydrophobicContact CG-CG2 4.17Å; F144-I149 HydrophobicContact CB-CG1 4.15Å; F144-I149 VanDerWaalsContact O-CD1 3.28Å; F144-I149 WeakPolarHBondContact O-CD1 3.38Å; H145-I149 PolarHBondContact O-N 3.24Å; I149-N151 PolarHBondContact O-N 3.01Å
150R92.1Very high94.3Very high194 Ų19457.3 Ų57.373%0.73226%0.256SS*.Hα-helixtrans-66.1-21.4178-75-175.1-71.4-162.43.4113.7R146 F148R146-R150 WeakPolarHBondContact O-CG 3.41Å; R146-R150 PolarHBondContact O-N 3.19Å; R146-R150 PolarHBondContact O-NE 3.2Å; F148-R150 VanDerWaalsContact C-N 3.33Å; F148-R150 PolarHBondContact O-N 3.27Å
151N92.1Very high94.3Very high77 Ų7762.8 Ų62.841%0.41229%0.286SS..THydrogen-bonded Turntrans-103.840-175.9-66.5-13.4000111.6S147 F148 I149 L314S147-N151 WeakPolarHBondContact O-CB 3.42Å; S147-N151 PolarHBondContact O-N 2.88Å; S147-N151 PolarHBondContact O-ND2 2.9Å; F148-N151 CarbonylContact O-C 3.4Å; F148-N151 PolarHBondContact O-N 3.44Å; I149-N151 PolarHBondContact O-N 3.01Å; N151-L314 PolarHBondContact O-N 2.94Å
152G93.7Very high94.1Very high8 Ų859.5 Ų59.58%0.08228%0.282CS..THydrogen-bonded Turntrans77.527.4169.100000116F156G152-F156 PolarHBondContact O-N 3.13Å; G152-F156 VanDerWaalsContact O-N 3.16Å
153C95.5Very high93.9Very high0 Ų054 Ų540%027%0.266CS..Hα-helixtrans-58.5-50.8175.8-174.90000112.6I140 F148 D155 F156 L157 L314I140-C153 WeakPolarHBondContact CG2-SG 3.48Å; F148-C153 VanDerWaalsContact O-CB 3.29Å; F148-C153 WeakPolarHBondContact O-CB 3.14Å; F148-C153 PolarHBondContact O-N 3.46Å; C153-D155 VanDerWaalsContact C-N 3.34Å; C153-F156 PolarHBondContact O-N 2.85Å; C153-L157 WeakPolarHBondContact O-CB 3.38Å; C153-L157 WeakPolarHBondContact O-CG 3.35Å; C153-L157 PolarHBondContact O-N 2.98Å; C153-L314 VanDerWaalsContact CA-CD2 3.49Å; C153-L314 HydrophobicContact CB-CD2 3.5Å; C153-L314 VanDerWaalsContact SG-CD2 3.55Å
154E94.5Very high93.6Very high20 Ų2057 Ų579%0.09329%0.291CS..Hα-helixtrans-66.6-40.7-178.5-64.2176137.600110.6N137 I140 R141 F156 L157 L158N137-E154 VanDerWaalsContact CB-OE1 3.26Å; N137-E154 WeakPolarHBondContact CB-OE1 3.34Å; N137-E154 PolarHBondContact OD1-OE1 2.94Å; I140-E154 HydrophobicContact CG2-CG 4.08Å; R141-E154 WeakPolarHBondContact CD-OE1 3.21Å; R141-E154 WeakPolarHBondContact CG-OE1 3.4Å; R141-E154 IonicContact CZ-OE1 3.89Å; R141-E154 IonicContact CZ-OE2 3.4Å; R141-E154 IonicContact NE-OE1 3.46Å; R141-E154 PolarHBondContact NE-OE1 3.08Å; R141-E154 IonicContact NE-OE2 2.98Å; R141-E154 PolarHBondContact NE-OE2 2.65Å; R141-E154 IonicContact NH2-OE1 3.06Å; R141-E154 PolarHBondContact NH2-OE1 2.85Å; R141-E154 IonicContact NH2-OE2 3.91Å; R141-E154 PolarHBondContact NH2-OE2 3.49Å; E154-F156 VanDerWaalsContact C-N 3.34Å; E154-F156 PolarHBondContact O-N 3.12Å; E154-L157 PolarHBondContact O-N 2.88Å; E154-L158 HydrophobicContact CB-CD1 4.41Å; E154-L158 WeakPolarHBondContact O-CB 3.44Å; E154-L158 WeakPolarHBondContact O-CG 3.26Å; E154-L158 PolarHBondContact O-N 2.93Å
155D95.3Very high93.1Very high52 Ų5264.3 Ų64.328%0.27832%0.324SS..Hα-helixtrans-54.1-51.5176.2-62.4-5.6000111.5C153 G159 L160 R315 F318C153-D155 VanDerWaalsContact C-N 3.34Å; D155-G159 CarbonylContact O-C 3.43Å; D155-G159 VanDerWaalsContact O-CA 3.27Å; D155-G159 WeakPolarHBondContact O-CA 3.36Å; D155-G159 PolarHBondContact O-N 3.5Å; D155-L160 PolarHBondContact O-N 3.15Å; D155-R315 HydrophobicContact CB-CG 4.25Å; D155-R315 VanDerWaalsContact CB-NH1 3.31Å; D155-R315 IonicContact OD2-CZ 2.63Å; D155-R315 IonicContact OD2-NH1 2.82Å; D155-R315 PolarHBondContact OD2-NH1 3.02Å; D155-F318 VanDerWaalsContact O-CZ 3.31Å; D155-F318 WeakPolarHBondContact O-CZ 3.5Å
156F96.7Very high92.5Very high21 Ų2164.6 Ų64.69%0.09234%0.336CS..Hα-helixtrans-68.6-53.4-179.7172.4-114000112.4G152 C153 E154 L158 G159 L314 Y317 F318 L482 I483G152-F156 PolarHBondContact O-N 3.13Å; G152-F156 VanDerWaalsContact O-N 3.16Å; C153-F156 PolarHBondContact O-N 2.85Å; E154-F156 VanDerWaalsContact C-N 3.34Å; E154-F156 PolarHBondContact O-N 3.12Å; F156-L158 VanDerWaalsContact C-N 3.28Å; F156-L158 PolarHBondContact O-N 3.18Å; F156-G159 PolarHBondContact O-N 3.09Å; F156-G159 VanDerWaalsContact O-N 3.14Å; F156-L314 WeakPolarHBondContact CB-O 3.49Å; F156-Y317 HydrophobicContact CD1-CD2 4.16Å; F156-Y317 HydrophobicContact CD1-CG 4.24Å; F156-Y317 VanDerWaalsContact CE1-CB 3.5Å; F156-Y317 HydrophobicContact CE1-CD2 4.21Å; F156-Y317 AromaticContact CE1-CG 3.95Å; F156-Y317 HydrophobicContact CE1-CG 3.95Å; F156-Y317 HydrophobicContact CZ-CG 4.13Å; F156-F318 HydrophobicContact CB-CE2 4.33Å; F156-F318 HydrophobicContact CB-CZ 4.44Å; F156-F318 HydrophobicContact CD2-CD1 4.05Å; F156-F318 HydrophobicContact CD2-CD2 4.49Å; F156-F318 HydrophobicContact CD2-CE1 4.13Å; F156-F318 HydrophobicContact CD2-CG 4.25Å; F156-F318 HydrophobicContact CD2-CZ 4.42Å; F156-L482 HydrophobicContact CE2-CD2 4.36Å; F156-L482 HydrophobicContact CZ-CB 4.44Å; F156-L482 HydrophobicContact CZ-CD2 3.91Å; F156-I483 HydrophobicContact CD1-CD1 4.27Å; F156-I483 HydrophobicContact CE1-CD1 4.09Å; F156-I483 HydrophobicContact CE1-CG1 4.07Å
157L97Very high92.1Very high2 Ų260.8 Ų60.81%0.0133%0.326CS..Hα-helixtrans-67.7-25.8-173.3-70.1178.3000113.6I140 F144 C153 E154 R475 I476 I483I140-L157 HydrophobicContact CD1-CB 3.86Å; I140-L157 HydrophobicContact CD1-CD1 4.28Å; I140-L157 HydrophobicContact CG1-CD1 4.19Å; I140-L157 HydrophobicContact CG2-CD1 3.98Å; F144-L157 HydrophobicContact CE2-CD1 3.72Å; F144-L157 HydrophobicContact CZ-CD1 3.72Å; C153-L157 WeakPolarHBondContact O-CB 3.38Å; C153-L157 WeakPolarHBondContact O-CG 3.35Å; C153-L157 PolarHBondContact O-N 2.98Å; E154-L157 PolarHBondContact O-N 2.88Å; L157-R475 CarbonylContact O-C 3.43Å; L157-R475 WeakPolarHBondContact O-CB 3.44Å; L157-I476 PolarHBondContact O-N 3.06Å; L157-I483 HydrophobicContact CD2-CD1 3.97Å
158L95.2Very high92.2Very high1 Ų162 Ų621%0.00533%0.332CS..Hα-helixtrans-101.2-3.5175.7-56.7175.6000112.9R136 I140 E154 F156 L160 R475 I476R136-L158 HydrophobicContact CB-CD1 4.34Å; R136-L158 HydrophobicContact CB-CD2 4Å; R136-L158 HydrophobicContact CG-CD1 3.8Å; R136-L158 HydrophobicContact CG-CD2 4.24Å; I140-L158 HydrophobicContact CD1-CD1 3.98Å; I140-L158 HydrophobicContact CD1-CD2 3.69Å; I140-L158 HydrophobicContact CD1-CG 3.6Å; E154-L158 HydrophobicContact CB-CD1 4.41Å; E154-L158 WeakPolarHBondContact O-CB 3.44Å; E154-L158 WeakPolarHBondContact O-CG 3.26Å; E154-L158 PolarHBondContact O-N 2.93Å; F156-L158 VanDerWaalsContact C-N 3.28Å; F156-L158 PolarHBondContact O-N 3.18Å; L158-L160 HydrophobicContact CB-CD1 4.37Å; L158-L160 HydrophobicContact CB-CD2 3.95Å; L158-L160 HydrophobicContact CB-CG 3.91Å; L158-L160 HydrophobicContact CD1-CD1 4.43Å; L158-R475 VanDerWaalsContact O-CD 3.31Å; L158-R475 WeakPolarHBondContact O-CD 3.44Å; L158-I476 HydrophobicContact CD2-CD1 4.01Å; L158-I476 HydrophobicContact CD2-CG1 4.13Å
159G93.5Very high92.3Very high25 Ų2563.4 Ų63.426%0.25834%0.339SS..THydrogen-bonded Turntrans64.839.5-178.900000113.6D155 F156D155-G159 CarbonylContact O-C 3.43Å; D155-G159 VanDerWaalsContact O-CA 3.27Å; D155-G159 WeakPolarHBondContact O-CA 3.36Å; D155-G159 PolarHBondContact O-N 3.5Å; F156-G159 PolarHBondContact O-N 3.09Å; F156-G159 VanDerWaalsContact O-N 3.14Å
160L93.2Very high92.5Very high55 Ų5562.1 Ų62.129%0.28833%0.333SS..  trans-84129.5177.4-42.6176.6000110.4D155 L158 R315D155-L160 PolarHBondContact O-N 3.15Å; L158-L160 HydrophobicContact CB-CD1 4.37Å; L158-L160 HydrophobicContact CB-CD2 3.95Å; L158-L160 HydrophobicContact CB-CG 3.91Å; L158-L160 HydrophobicContact CD1-CD1 4.43Å; L160-R315 PolarHBondContact O-NH1 2.95Å
161D91.7Very high92.7Very high116 Ų11654.1 Ų54.162%0.6231%0.305SS*.SBendtrans47.755.9178.7-168.841.3000113.5R315D161-R315 PolarHBondContact O-NH2 2.9Å
162P92.1Very high93Very high69 Ų6950.5 Ų50.545%0.44829%0.285SS..  trans-64.1155.5175.630.2-35.3000110.4F318P162-F318 HydrophobicContact CB-CD1 4.08Å; P162-F318 HydrophobicContact CB-CE1 3.82Å; P162-F318 HydrophobicContact CB-CZ 4.28Å
163P91Very high93.2Very high40 Ų4052.1 Ų52.126%0.2629%0.292SS..  trans-51.6142.3172.4-2433000111.9F165 L311 F318P163-F165 PolarHBondContact O-N 2.96Å; P163-L311 HydrophobicContact CG-CD2 3.69Å; P163-F318 HydrophobicContact CG-CB 4.03Å
164P88Confident93.3Very high117 Ų11754.9 Ų54.976%0.7630%0.303SS*.SBendtrans-66-25-174.525.8-34.8000113.3
165F85.6Confident93.2Very high161 Ų16157.2 Ų57.271%0.70632%0.319SS*.SBendtrans-128.3142.4176.1-57.8-74.3000109.5P163 Q167P163-F165 PolarHBondContact O-N 2.96Å; F165-Q167 PolarHBondContact O-N 3.12Å
166P80.8Confident93.1Very high123 Ų12360.2 Ų60.280%0.79934%0.342SS*.  trans-56.8124171.5-23.133.3000110.6
167Q87Confident93Very high113 Ų11364.2 Ų64.253%0.52837%0.365SS..  trans-128.694.1174.8-179.5180-16.700108.1F165 E169 A319F165-Q167 PolarHBondContact O-N 3.12Å; Q167-E169 HydrophobicContact CG-CG 4.48Å; Q167-E169 PolarHBondContact NE2-OE1 3.35Å; Q167-E169 PolarHBondContact O-N 2.96Å; Q167-A319 VanDerWaalsContact O-CA 3.22Å; Q167-A319 WeakPolarHBondContact O-CA 3.4Å; Q167-A319 WeakPolarHBondContact O-CB 3.26Å
168T94.6Very high92.9Very high62 Ų6265.4 Ų65.438%0.3837%0.373SS..  trans-78.5109.7179.1-35.80000109.8N171 E321T168-N171 WeakPolarHBondContact CG2-ND2 3.44Å; T168-E321 HydrophobicContact CG2-CB 4.05Å; T168-E321 HydrophobicContact CG2-CG 3.83Å; T168-E321 PolarHBondContact OG1-OE1 3.27Å
169E95.4Very high93Very high44 Ų4465.5 Ų65.521%0.20637%0.373CS..  trans-95-26.6174.2-70.4-170.6-176.600112.4Q167 K238 F316 A319Q167-E169 HydrophobicContact CG-CG 4.48Å; Q167-E169 PolarHBondContact NE2-OE1 3.35Å; Q167-E169 PolarHBondContact O-N 2.96Å; E169-K238 VanDerWaalsContact CD-NZ 3.34Å; E169-K238 IonicContact OE1-NZ 3.81Å; E169-K238 PolarHBondContact OE1-NZ 3.38Å; E169-K238 WeakPolarHBondContact OE2-CE 3.16Å; E169-K238 IonicContact OE2-NZ 2.9Å; E169-K238 PolarHBondContact OE2-NZ 3.25Å; E169-F316 HydrophobicContact CB-CE2 4.23Å; E169-A319 HydrophobicContact CB-CB 3.94Å; E169-A319 HydrophobicContact CG-CB 3.93Å; E169-A319 PolarHBondContact N-O 3.44Å
170A97.3Very high93.2Very high5 Ų567.1 Ų67.14%0.04138%0.375CS..EExtended strand (participates in β ladder)trans-144.1149.9179.500000112.2W181 V280 F316 A319 V320 E321A170-W181 HydrophobicContact CB-CE3 4.16Å; A170-W181 HydrophobicContact CB-CZ3 3.73Å; A170-V280 HydrophobicContact CB-CG1 4Å; A170-V280 HydrophobicContact CB-CG2 3.78Å; A170-F316 HydrophobicContact CB-CZ 3.88Å; A170-A319 PolarHBondContact N-O 3.12Å; A170-A319 VanDerWaalsContact N-O 3.13Å; A170-V320 HydrophobicContact CB-CG2 4.28Å; A170-V320 WeakPolarHBondContact O-CA 3.38Å; A170-E321 PolarHBondContact O-N 2.96Å
171N97.5Very high93.4Very high26 Ų2665 Ų6514%0.13936%0.363CS..EExtended strand (participates in β ladder)trans-130.4140.5178.2-71-102.8000110T168 R182 E321T168-N171 WeakPolarHBondContact CG2-ND2 3.44Å; N171-R182 HydrophobicContact CB-CB 3.84Å; N171-R182 VanDerWaalsContact CB-NH1 3.29Å; N171-R182 PolarHBondContact ND2-NH1 3.21Å; N171-R182 PolarHBondContact O-N 3.02Å; N171-R182 PolarHBondContact OD1-NH1 2.68Å; N171-E321 CarbonylContact C-O 3.55Å; N171-E321 WeakPolarHBondContact CA-O 3.3Å
172I98Very high93.6Very high0 Ų063 Ų630%035%0.347CS..EExtended strand (participates in β ladder)trans-115.6119.6176.7-57.1159.7000108.3F179 Q180 W181 V320 E321 S322 L482 R485 A489I172-F179 HydrophobicContact CG2-CB 4.08Å; I172-F179 HydrophobicContact CG2-CD1 3.99Å; I172-F179 HydrophobicContact CG2-CG 4.46Å; I172-Q180 WeakPolarHBondContact CA-O 3.22Å; I172-W181 HydrophobicContact CD1-CH2 4.26Å; I172-W181 HydrophobicContact CD1-CZ3 3.92Å; I172-W181 HydrophobicContact CG1-CE3 3.68Å; I172-W181 HydrophobicContact CG1-CH2 4.25Å; I172-W181 HydrophobicContact CG1-CZ3 3.5Å; I172-W181 VanDerWaalsContact CG1-CZ3 3.5Å; I172-V320 HydrophobicContact CD1-CG1 3.67Å; I172-V320 HydrophobicContact CG1-CG1 4.18Å; I172-E321 PolarHBondContact N-O 2.88Å; I172-S322 PolarHBondContact O-OG 2.68Å; I172-L482 HydrophobicContact CD1-CD1 4.26Å; I172-R485 HydrophobicContact CD1-CB 4.21Å; I172-R485 HydrophobicContact CG2-CB 4.33Å; I172-A489 HydrophobicContact CG2-CB 4.2Å
173D97Very high93.5Very high42 Ų4267.5 Ų67.523%0.22536%0.355CS..EExtended strand (participates in β ladder)trans-104.2147.2175.9-63.6-36.8000109.9V175 F179 Q180 R182D173-V175 HydrophobicContact CB-CG2 4.01Å; D173-F179 WeakPolarHBondContact O-CA 3.42Å; D173-Q180 PolarHBondContact N-O 3.01Å; D173-Q180 PolarHBondContact O-N 3.23Å; D173-R182 IonicContact OD1-CZ 3.46Å; D173-R182 IonicContact OD1-NE 3.39Å; D173-R182 PolarHBondContact OD1-NE 3.48Å; D173-R182 IonicContact OD1-NH2 2.7Å; D173-R182 PolarHBondContact OD1-NH2 2.93Å; D173-R182 VanDerWaalsContact OD2-CB 3.29Å; D173-R182 WeakPolarHBondContact OD2-CB 3.4Å; D173-R182 VanDerWaalsContact OD2-CG 3.26Å; D173-R182 WeakPolarHBondContact OD2-CG 3.42Å; D173-R182 IonicContact OD2-CZ 3.69Å; D173-R182 IonicContact OD2-NE 2.83Å; D173-R182 PolarHBondContact OD2-NE 3.39Å; D173-R182 IonicContact OD2-NH2 3.7Å
174Y97.1Very high93.3Very high59 Ų5969.9 Ų69.923%0.23136%0.364CS..EExtended strand (participates in β ladder)trans-101.6109.4170-179.8-101.3000108.6D177 S178 F179 S324 T327 H329Y174-D177 WeakPolarHBondContact OH-CA 3.43Å; Y174-D177 PolarHBondContact OH-OD1 2.94Å; Y174-S178 WeakPolarHBondContact CA-O 3.22Å; Y174-F179 AromaticContact CD2-CD1 3.96Å; Y174-F179 HydrophobicContact CD2-CD1 3.96Å; Y174-F179 HydrophobicContact CD2-CD2 4.35Å; Y174-F179 AromaticContact CD2-CE1 3.68Å; Y174-F179 HydrophobicContact CD2-CE1 3.68Å; Y174-F179 HydrophobicContact CD2-CE2 4.09Å; Y174-F179 HydrophobicContact CD2-CG 4.29Å; Y174-F179 AromaticContact CD2-CZ 3.74Å; Y174-F179 HydrophobicContact CD2-CZ 3.74Å; Y174-F179 HydrophobicContact CE2-CE2 4.41Å; Y174-F179 HydrophobicContact CE2-CZ 4.32Å; Y174-F179 HydrophobicContact CG-CE1 4.18Å; Y174-S324 WeakPolarHBondContact CB-OG 3.41Å; Y174-S324 PolarHBondContact N-OG 3.18Å; Y174-T327 HydrophobicContact CD1-CG2 4.22Å; Y174-T327 HydrophobicContact CD2-CG2 4.1Å; Y174-T327 HydrophobicContact CE1-CG2 4.3Å; Y174-T327 HydrophobicContact CE2-CG2 4.16Å; Y174-T327 HydrophobicContact CG-CG2 4.11Å; Y174-H329 HydrophobicContact CE2-CB 4.04Å; Y174-H329 AromaticContact CZ-CD2 3.89Å; Y174-H329 PolarHBondContact OH-CD2 3.37Å; Y174-H329 PolarHBondContact OH-NE2 3.24Å
175V94.3Very high92.7Very high69 Ų6970.3 Ų70.342%0.41837%0.37SS..EExtended strand (participates in β ladder)trans-136.8132.6-174-176.90000108.9D173 D177 S178D173-V175 HydrophobicContact CB-CG2 4.01Å; V175-D177 VanDerWaalsContact C-N 3.31Å; V175-D177 PolarHBondContact O-N 3.48Å; V175-S178 PolarHBondContact N-O 3.09Å; V175-S178 PolarHBondContact O-N 3.47Å; V175-S178 PolarHBondContact O-OG 3.36Å
176C92.9Very high92.1Very high115 Ų11565.2 Ų65.278%0.77735%0.354SS*.THydrogen-bonded Turntrans49.450.8179.2-60.40000112.6S178C176-S178 PolarHBondContact O-N 2.87Å; C176-S178 VanDerWaalsContact O-N 3.15Å
177D93.8Very high92Very high105 Ų10566.1 Ų66.156%0.56135%0.353SS*.THydrogen-bonded Turntrans58.126-179.8-57.8-39.1000116Y174 V175Y174-D177 WeakPolarHBondContact OH-CA 3.43Å; Y174-D177 PolarHBondContact OH-OD1 2.94Å; V175-D177 VanDerWaalsContact C-N 3.31Å; V175-D177 PolarHBondContact O-N 3.48Å
178S94.8Very high92.2Very high27 Ų2761.6 Ų61.619%0.18933%0.332CS..EExtended strand (participates in β ladder)trans-140.4141.3-179.9680000111.8Y174 V175 C176 Q180Y174-S178 WeakPolarHBondContact CA-O 3.22Å; V175-S178 PolarHBondContact N-O 3.09Å; V175-S178 PolarHBondContact O-N 3.47Å; V175-S178 PolarHBondContact O-OG 3.36Å; C176-S178 PolarHBondContact O-N 2.87Å; C176-S178 VanDerWaalsContact O-N 3.15Å; S178-Q180 PolarHBondContact OG-NE2 2.81Å
179F97.5Very high92.2Very high2 Ų262.6 Ų62.61%0.00934%0.338CS..EExtended strand (participates in β ladder)trans-78.5135.1167.8-67.3-72.6000109.7I172 D173 Y174 T327 H329 D330 R485 Q488 A489 N492I172-F179 HydrophobicContact CG2-CB 4.08Å; I172-F179 HydrophobicContact CG2-CD1 3.99Å; I172-F179 HydrophobicContact CG2-CG 4.46Å; D173-F179 WeakPolarHBondContact O-CA 3.42Å; Y174-F179 AromaticContact CD2-CD1 3.96Å; Y174-F179 HydrophobicContact CD2-CD1 3.96Å; Y174-F179 HydrophobicContact CD2-CD2 4.35Å; Y174-F179 AromaticContact CD2-CE1 3.68Å; Y174-F179 HydrophobicContact CD2-CE1 3.68Å; Y174-F179 HydrophobicContact CD2-CE2 4.09Å; Y174-F179 HydrophobicContact CD2-CG 4.29Å; Y174-F179 AromaticContact CD2-CZ 3.74Å; Y174-F179 HydrophobicContact CD2-CZ 3.74Å; Y174-F179 HydrophobicContact CE2-CE2 4.41Å; Y174-F179 HydrophobicContact CE2-CZ 4.32Å; Y174-F179 HydrophobicContact CG-CE1 4.18Å; F179-T327 HydrophobicContact CZ-CG2 4.02Å; F179-T327 WeakPolarHBondContact CZ-OG1 3.19Å; F179-H329 HydrophobicContact CE2-CB 4.29Å; F179-D330 WeakPolarHBondContact CZ-OD1 3.45Å; F179-R485 HydrophobicContact CD1-CB 4.28Å; F179-R485 HydrophobicContact CD1-CG 3.93Å; F179-R485 HydrophobicContact CD2-CG 4.27Å; F179-R485 HydrophobicContact CE1-CG 3.72Å; F179-R485 HydrophobicContact CE2-CG 4.07Å; F179-R485 HydrophobicContact CG-CB 4.41Å; F179-R485 HydrophobicContact CG-CG 4.2Å; F179-R485 HydrophobicContact CZ-CG 3.79Å; F179-Q488 HydrophobicContact CB-CB 4.06Å; F179-Q488 HydrophobicContact CD2-CB 4.1Å; F179-Q488 HydrophobicContact CG-CB 4.48Å; F179-A489 HydrophobicContact CB-CB 4.43Å; F179-A489 WeakPolarHBondContact O-CA 3.16Å; F179-N492 PolarHBondContact O-ND2 3.2Å
180Q96.8Very high92.1Very high60 Ų6060.9 Ų60.928%0.2833%0.331SS..EExtended strand (participates in β ladder)trans-141.5143.6-178.9-55.6-175.823.100110.1I172 D173 S178 R182I172-Q180 WeakPolarHBondContact CA-O 3.22Å; D173-Q180 PolarHBondContact N-O 3.01Å; D173-Q180 PolarHBondContact O-N 3.23Å; S178-Q180 PolarHBondContact OG-NE2 2.81Å; Q180-R182 PolarHBondContact O-N 3.03Å
181W97.5Very high92.1Very high10 Ų1063.6 Ų63.64%0.03835%0.349CS..EExtended strand (participates in β ladder)trans-62.7128165.7-65.2118.3000109A170 I172 R183 P279 V280 V320 S486 A489 E490A170-W181 HydrophobicContact CB-CE3 4.16Å; A170-W181 HydrophobicContact CB-CZ3 3.73Å; I172-W181 HydrophobicContact CD1-CH2 4.26Å; I172-W181 HydrophobicContact CD1-CZ3 3.92Å; I172-W181 HydrophobicContact CG1-CE3 3.68Å; I172-W181 HydrophobicContact CG1-CH2 4.25Å; I172-W181 HydrophobicContact CG1-CZ3 3.5Å; I172-W181 VanDerWaalsContact CG1-CZ3 3.5Å; W181-R183 PolarHBondContact O-N 3.42Å; W181-R183 VanDerWaalsContact O-N 3.12Å; W181-P279 HydrophobicContact CB-CB 3.86Å; W181-P279 HydrophobicContact CB-CG 4.05Å; W181-V280 HydrophobicContact CD2-CG2 3.74Å; W181-V280 HydrophobicContact CE3-CG2 3.67Å; W181-V280 HydrophobicContact CG-CG2 4.15Å; W181-V280 HydrophobicContact CZ3-CG2 4.09Å; W181-V320 HydrophobicContact CZ3-CG1 4.16Å; W181-S486 WeakPolarHBondContact CZ2-O 3.45Å; W181-A489 HydrophobicContact CD2-CB 4.04Å; W181-A489 HydrophobicContact CG-CB 4.09Å; W181-E490 PolarHBondContact NE1-OE2 3.43Å
182R96.3Very high92Very high75 Ų7562.7 Ų62.728%0.28334%0.344SS..  trans-58.5120.4175.2-173.3177.1-61.61419109.1N171 D173 Q180 L184N171-R182 HydrophobicContact CB-CB 3.84Å; N171-R182 VanDerWaalsContact CB-NH1 3.29Å; N171-R182 PolarHBondContact ND2-NH1 3.21Å; N171-R182 PolarHBondContact O-N 3.02Å; N171-R182 PolarHBondContact OD1-NH1 2.68Å; D173-R182 IonicContact OD1-CZ 3.46Å; D173-R182 IonicContact OD1-NE 3.39Å; D173-R182 PolarHBondContact OD1-NE 3.48Å; D173-R182 IonicContact OD1-NH2 2.7Å; D173-R182 PolarHBondContact OD1-NH2 2.93Å; D173-R182 VanDerWaalsContact OD2-CB 3.29Å; D173-R182 WeakPolarHBondContact OD2-CB 3.4Å; D173-R182 VanDerWaalsContact OD2-CG 3.26Å; D173-R182 WeakPolarHBondContact OD2-CG 3.42Å; D173-R182 IonicContact OD2-CZ 3.69Å; D173-R182 IonicContact OD2-NE 2.83Å; D173-R182 PolarHBondContact OD2-NE 3.39Å; D173-R182 IonicContact OD2-NH2 3.7Å; Q180-R182 PolarHBondContact O-N 3.03Å; R182-L184 PolarHBondContact O-N 3.29Å
183R91.4Very high91.7Very high163 Ų16366.1 Ų66.162%0.61537%0.368SS*.  trans-79.2109.6172.7-64.5-167.6-179-172.81.9108.7W181 P279W181-R183 PolarHBondContact O-N 3.42Å; W181-R183 VanDerWaalsContact O-N 3.12Å; R183-P279 HydrophobicContact CG-CG 4.14Å
184L85.6Confident91.5Very high89 Ų8966.7 Ų66.747%0.46638%0.376SS..  trans-77.5139164.6-57.6174.6000107.6R182 S186R182-L184 PolarHBondContact O-N 3.29Å; L184-S186 PolarHBondContact O-N 3.36Å
185S76.3Confident91.3Very high127 Ų12766.7 Ų66.789%0.88838%0.377SS*.  trans-56.6114.8174.7520000109.1
186S72.2Confident91.2Very high53 Ų5368.6 Ų68.637%0.37138%0.377SS..  trans-145.3119.5178.8-177.60000109.6L184 L188L184-S186 PolarHBondContact O-N 3.36Å; S186-L188 PolarHBondContact O-N 3.03Å; S186-L188 VanDerWaalsContact OG-CB 3.28Å; S186-L188 WeakPolarHBondContact OG-CB 3.41Å; S186-L188 PolarHBondContact OG-N 3.21Å
187D78.6Confident91.2Very high142 Ų14269.3 Ų69.376%0.75937%0.367SS*.  trans-87.417.7170.7-62.3-40.3000111.3T189 S215D187-T189 PolarHBondContact O-N 3.4Å; D187-S215 PolarHBondContact O-OG 3.23Å
188L91.8Very high91.1Very high18 Ų1866.9 Ų66.99%0.09435%0.354CS..  trans-65.9112.9-177.4-174.566000110.1S186 N214 V216 C276 S282 F287 L291S186-L188 PolarHBondContact O-N 3.03Å; S186-L188 VanDerWaalsContact OG-CB 3.28Å; S186-L188 WeakPolarHBondContact OG-CB 3.41Å; S186-L188 PolarHBondContact OG-N 3.21Å; L188-N214 HydrophobicContact CD1-CB 4.25Å; L188-V216 HydrophobicContact CB-CG2 4.3Å; L188-V216 HydrophobicContact CD1-CG2 4.02Å; L188-C276 WeakPolarHBondContact O-CB 3.43Å; L188-S282 WeakPolarHBondContact CD2-O 3.42Å; L188-F287 HydrophobicContact CD2-CD1 4.27Å; L188-F287 HydrophobicContact CD2-CE1 3.92Å; L188-L291 HydrophobicContact CD1-CD1 4.22Å; L188-L291 HydrophobicContact CD2-CD1 4.11Å; L188-L291 HydrophobicContact CG-CD1 4.46Å
189T93.8Very high90.8Very high84 Ų8468.4 Ų68.452%0.51536%0.364SS..  trans-132.9160.4167.966.30000107.7D187 N214 S215D187-T189 PolarHBondContact O-N 3.4Å; T189-N214 CarbonylContact O-C 3.56Å; T189-N214 WeakPolarHBondContact O-CA 3.26Å; T189-S215 PolarHBondContact N-OG 3.31Å; T189-S215 PolarHBondContact O-N 3.41Å; T189-S215 PolarHBondContact O-OG 2.86Å; T189-S215 WeakPolarHBondContact OG1-CB 3.32Å; T189-S215 PolarHBondContact OG1-OG 3.37Å
190S93.7Very high89.9Confident8 Ų870.1 Ų70.16%0.05637%0.372CS..EExtended strand (participates in β ladder)trans-139.8141-17958.30000110T213 Q269 L272 C276S190-T213 CarbonylContact C-O 3.57Å; S190-T213 VanDerWaalsContact CA-O 3.31Å; S190-T213 WeakPolarHBondContact CA-O 3.44Å; S190-Q269 PolarHBondContact O-NE2 2.87Å; S190-L272 WeakPolarHBondContact OG-CB 3.06Å; S190-C276 PolarHBondContact OG-SG 3.28Å
191C96.6Very high89Confident62 Ų6271.3 Ų71.342%0.41938%0.378SS..EExtended strand (participates in β ladder)trans-121.9139.5173.266.50000111.2I212 T213 Q269C191-I212 CarbonylContact O-C 3.58Å; C191-I212 WeakPolarHBondContact O-CA 3.49Å; C191-T213 PolarHBondContact N-O 2.95Å; C191-T213 PolarHBondContact O-N 2.93Å; C191-Q269 VanDerWaalsContact CA-OE1 3.23Å
192I96.8Very high88.1Confident6 Ų681 Ų813%0.03142%0.421CS..EExtended strand (participates in β ladder)trans-97.492.7169-51.5-175.3000107Y210 Q211 I212 F228 R265 L268 Q269 L272I192-Y210 HydrophobicContact CG2-CD1 4.12Å; I192-Y210 HydrophobicContact CG2-CG 4.45Å; I192-Q211 CarbonylContact C-O 3.57Å; I192-Q211 WeakPolarHBondContact CA-O 3.37Å; I192-I212 HydrophobicContact CG1-CG1 4.36Å; I192-F228 HydrophobicContact CD1-CZ 4.27Å; I192-R265 HydrophobicContact CB-CG 4.18Å; I192-R265 HydrophobicContact CG2-CG 3.62Å; I192-L268 HydrophobicContact CD1-CB 3.63Å; I192-Q269 HydrophobicContact CD1-CB 4.2Å; I192-Q269 HydrophobicContact CG1-CB 4.33Å; I192-L272 HydrophobicContact CD1-CD1 3.9Å; I192-L272 HydrophobicContact CG1-CD1 3.91Å
193S90.9Very high87.2Confident72 Ų7279.5 Ų79.550%0.50343%0.428SS..EExtended strand (participates in β ladder)trans-71.8-33.7-171.560.80000113.1Q211S193-Q211 PolarHBondContact N-O 3.35Å
194S92.4Very high86.6Confident55 Ų5578.5 Ų78.539%0.38543%0.434SS..EExtended strand (participates in β ladder)trans-161.5167.7-176.757.80000111.2Q211S194-Q211 PolarHBondContact O-N 3.42Å; S194-Q211 WeakPolarHBondContact OG-CG 3.32Å
195F94Very high86.6Confident59 Ų5977.2 Ų77.226%0.25942%0.424SS..EExtended strand (participates in β ladder)trans-129.6154.1165.657-99.9000110.1I208 A209 Y210 V261 D262 R265F195-I208 HydrophobicContact CB-CG2 3.77Å; F195-I208 HydrophobicContact CD2-CG2 4.29Å; F195-I208 HydrophobicContact CG-CG2 4.27Å; F195-A209 VanDerWaalsContact CA-O 3.28Å; F195-A209 WeakPolarHBondContact CA-O 3.32Å; F195-Y210 HydrophobicContact CB-CD1 3.8Å; F195-Y210 HydrophobicContact CB-CE1 4.02Å; F195-V261 HydrophobicContact CB-CG1 4.47Å; F195-V261 HydrophobicContact CD1-CG1 3.9Å; F195-V261 HydrophobicContact CD2-CB 4.48Å; F195-V261 HydrophobicContact CD2-CG1 3.39Å; F195-V261 HydrophobicContact CE1-CG1 3.93Å; F195-V261 HydrophobicContact CE2-CB 4.04Å; F195-V261 HydrophobicContact CE2-CG1 3.4Å; F195-V261 HydrophobicContact CG-CG1 3.65Å; F195-V261 HydrophobicContact CZ-CB 4.13Å; F195-V261 HydrophobicContact CZ-CG1 3.68Å; F195-D262 HydrophobicContact CE1-CB 4.13Å; F195-D262 HydrophobicContact CZ-CB 4.34Å; F195-R265 HydrophobicContact CD1-CB 4.06Å; F195-R265 HydrophobicContact CD1-CG 4.13Å; F195-R265 HydrophobicContact CE1-CB 4.36Å
196R92.5Very high87.3Confident109 Ų10972.7 Ų72.741%0.41139%0.393SS..EExtended strand (participates in β ladder)trans-139.7154.5172.164.8173.6-175-89.4-6.4110.9D198 I208 A209 S222R196-D198 IonicContact CZ-OD2 2.7Å; R196-D198 IonicContact NE-OD2 3.05Å; R196-D198 PolarHBondContact NE-OD2 3.2Å; R196-D198 IonicContact NH2-OD2 2.82Å; R196-D198 PolarHBondContact NH2-OD2 3.23Å; R196-I208 WeakPolarHBondContact O-CA 3.38Å; R196-A209 HydrophobicContact CG-CB 4.49Å; R196-A209 PolarHBondContact N-O 2.95Å; R196-A209 PolarHBondContact O-N 3.03Å; R196-S222 PolarHBondContact NH2-OG 2.96Å
197K92.2Very high88.2Confident130 Ų13072.1 Ų72.157%0.56538%0.384SS*.EExtended strand (participates in β ladder)trans-77.8123.3166.8-171.2176.3179.7179.70108.5S206 F207 I208K197-S206 VanDerWaalsContact CE-OG 3.26Å; K197-S206 WeakPolarHBondContact CE-OG 3.48Å; K197-F207 WeakPolarHBondContact CA-O 3.27Å; K197-I208 HydrophobicContact CB-CD1 4.06Å; K197-I208 HydrophobicContact CG-CD1 4.43Å
198D91.2Very high88.9Confident54 Ų5466.3 Ų66.329%0.28935%0.352SS..EExtended strand (participates in β ladder)trans-120162.7178.3-148.9-33.3000108.9R196 S206 F207 A209R196-D198 IonicContact CZ-OD2 2.7Å; R196-D198 IonicContact NE-OD2 3.05Å; R196-D198 PolarHBondContact NE-OD2 3.2Å; R196-D198 IonicContact NH2-OD2 2.82Å; R196-D198 PolarHBondContact NH2-OD2 3.23Å; D198-S206 CarbonylContact O-C 3.59Å; D198-S206 WeakPolarHBondContact O-CA 3.36Å; D198-S206 WeakPolarHBondContact O-CB 3.44Å; D198-F207 HydrophobicContact CB-CD2 4.33Å; D198-F207 HydrophobicContact CB-CE1 4.18Å; D198-F207 HydrophobicContact CB-CE2 3.8Å; D198-F207 HydrophobicContact CB-CZ 3.72Å; D198-F207 PolarHBondContact N-O 2.79Å; D198-F207 PolarHBondContact O-N 2.74Å; D198-A209 HydrophobicContact CB-CB 4.22Å
199S88.2Confident89.1Confident59 Ų5965.5 Ų65.541%0.41335%0.348SS..EExtended strand (participates in β ladder)trans-137.7137.9-174.9-63.80000113.1K205S199-K205 WeakPolarHBondContact CA-O 3.36Å
200K79.6Confident89.3Confident38 Ų3861.5 Ų61.517%0.16532%0.323CS..EExtended strand (participates in β ladder)trans-102.2164.4165.9-82.6-169.3174.7-120.40110.5W88 D91 K202 G203 I204 K205 F207W88-K200 HydrophobicContact CE3-CD 3.96Å; W88-K200 HydrophobicContact CZ3-CD 4.13Å; W88-K200 PolarHBondContact O-NZ 3.15Å; D91-K200 IonicContact OD2-NZ 2.79Å; D91-K200 PolarHBondContact OD2-NZ 2.98Å; K200-K202 PolarHBondContact O-N 3.5Å; K200-G203 PolarHBondContact O-N 2.92Å; K200-I204 PolarHBondContact O-N 3.3Å; K200-K205 PolarHBondContact N-O 3.26Å; K200-K205 PolarHBondContact O-N 2.88Å; K200-F207 HydrophobicContact CG-CE1 3.98Å
201M77.5Confident89.4Confident85 Ų8561.5 Ų61.542%0.41932%0.323SS..G310 helixtrans53.450174.2-62.1174.7165.800112.3G203 I204 K205M201-G203 PolarHBondContact O-N 2.92Å; M201-G203 VanDerWaalsContact O-N 3.16Å; M201-I204 HydrophobicContact CB-CB 4.13Å; M201-I204 HydrophobicContact CB-CD1 4.42Å; M201-I204 WeakPolarHBondContact O-CB 3.39Å; M201-I204 WeakPolarHBondContact O-CD1 3.36Å; M201-I204 VanDerWaalsContact O-CG1 3.28Å; M201-I204 WeakPolarHBondContact O-CG1 3.17Å; M201-I204 PolarHBondContact O-N 2.94Å; M201-K205 HydrophobicContact SD-CD 3.89Å; M201-K205 HydrophobicContact SD-CG 4.38Å
202K78.7Confident89.5Confident214 Ų21458.6 Ų58.693%0.9330%0.303SS*.G310 helixtrans54.534.9178.6-57.2-180177.4178.80114.3K200K200-K202 PolarHBondContact O-N 3.5Å
203G76.7Confident89.5Confident43 Ų4359.2 Ų59.244%0.44331%0.307SS..G310 helixtrans101.3-12.3177.100000115.2K200 M201 K205K200-G203 PolarHBondContact O-N 2.92Å; M201-G203 PolarHBondContact O-N 2.92Å; M201-G203 VanDerWaalsContact O-N 3.16Å; G203-K205 VanDerWaalsContact C-N 3.31Å; G203-K205 PolarHBondContact O-N 2.85Å
204I79.6Confident89.6Confident141 Ų14155.9 Ų55.972%0.72328%0.283SS*.THydrogen-bonded Turntrans-63.9-36.9-176.2-63.5169.8000111.7K200 M201K200-I204 PolarHBondContact O-N 3.3Å; M201-I204 HydrophobicContact CB-CB 4.13Å; M201-I204 HydrophobicContact CB-CD1 4.42Å; M201-I204 WeakPolarHBondContact O-CB 3.39Å; M201-I204 WeakPolarHBondContact O-CD1 3.36Å; M201-I204 VanDerWaalsContact O-CG1 3.28Å; M201-I204 WeakPolarHBondContact O-CG1 3.17Å; M201-I204 PolarHBondContact O-N 2.94Å
205K85.9Confident89.6Confident63 Ų6355 Ų5527%0.27428%0.277SS..EExtended strand (participates in β ladder)trans-121.4104.3179.5-66.9-177.2-177.1171.80109.9W88 S199 K200 M201 G203W88-K205 HydrophobicContact CH2-CB 4.4Å; W88-K205 HydrophobicContact CH2-CD 3.83Å; W88-K205 HydrophobicContact CZ2-CD 3.91Å; W88-K205 HydrophobicContact CZ3-CD 4.46Å; S199-K205 WeakPolarHBondContact CA-O 3.36Å; K200-K205 PolarHBondContact N-O 3.26Å; K200-K205 PolarHBondContact O-N 2.88Å; M201-K205 HydrophobicContact SD-CD 3.89Å; M201-K205 HydrophobicContact SD-CG 4.38Å; G203-K205 VanDerWaalsContact C-N 3.31Å; G203-K205 PolarHBondContact O-N 2.85Å
206S89.5Confident89.2Confident32 Ų3256.7 Ų56.722%0.22429%0.292CS..EExtended strand (participates in β ladder)trans-97.9148.3175.3610000112.8K197 D198 Y256K197-S206 VanDerWaalsContact CE-OG 3.26Å; K197-S206 WeakPolarHBondContact CE-OG 3.48Å; D198-S206 CarbonylContact O-C 3.59Å; D198-S206 WeakPolarHBondContact O-CA 3.36Å; D198-S206 WeakPolarHBondContact O-CB 3.44Å; S206-Y256 PolarHBondContact O-OH 2.93Å; S206-Y256 PolarHBondContact OG-OH 3.03Å
207F91.8Very high89Confident41 Ų4154.9 Ų54.918%0.1829%0.293CS..EExtended strand (participates in β ladder)trans-145.9159.4179.359.3-84.2000110.8K197 D198 K200 A209 R224K197-F207 WeakPolarHBondContact CA-O 3.27Å; D198-F207 HydrophobicContact CB-CD2 4.33Å; D198-F207 HydrophobicContact CB-CE1 4.18Å; D198-F207 HydrophobicContact CB-CE2 3.8Å; D198-F207 HydrophobicContact CB-CZ 3.72Å; D198-F207 PolarHBondContact N-O 2.79Å; D198-F207 PolarHBondContact O-N 2.74Å; K200-F207 HydrophobicContact CG-CE1 3.98Å; F207-A209 HydrophobicContact CD2-CB 4.32Å; F207-A209 HydrophobicContact CE2-CB 3.99Å; F207-R224 HydrophobicContact CD2-CB 3.61Å; F207-R224 HydrophobicContact CD2-CG 4.35Å; F207-R224 HydrophobicContact CE2-CB 4.07Å
208I94.3Very high88.9Confident20 Ų2055 Ų5510%0.10330%0.296CS..EExtended strand (participates in β ladder)trans-87.1128.7170.9-58.5-55.9000109.5F195 R196 K197 Y210 R224 Y256 V261F195-I208 HydrophobicContact CB-CG2 3.77Å; F195-I208 HydrophobicContact CD2-CG2 4.29Å; F195-I208 HydrophobicContact CG-CG2 4.27Å; R196-I208 WeakPolarHBondContact O-CA 3.38Å; K197-I208 HydrophobicContact CB-CD1 4.06Å; K197-I208 HydrophobicContact CG-CD1 4.43Å; I208-Y210 HydrophobicContact CG2-CE1 4.02Å; I208-Y210 HydrophobicContact CG2-CE2 4.23Å; I208-R224 WeakPolarHBondContact O-CA 3.49Å; I208-R224 WeakPolarHBondContact O-CB 3.28Å; I208-Y256 HydrophobicContact CD1-CD1 3.93Å; I208-Y256 HydrophobicContact CD1-CE1 4.46Å; I208-Y256 HydrophobicContact CG1-CD1 4.19Å; I208-V261 HydrophobicContact CD1-CG2 4.48Å; I208-V261 HydrophobicContact CG1-CG1 4.22Å; I208-V261 HydrophobicContact CG1-CG2 4.09Å; I208-V261 HydrophobicContact CG2-CG1 3.75Å
209A95.6Very high88.9Confident0 Ų054.3 Ų54.30%029%0.294CS..EExtended strand (participates in β ladder)trans-112.2122.4176.300000110.5F195 R196 D198 F207 Q211F195-A209 VanDerWaalsContact CA-O 3.28Å; F195-A209 WeakPolarHBondContact CA-O 3.32Å; R196-A209 HydrophobicContact CG-CB 4.49Å; R196-A209 PolarHBondContact N-O 2.95Å; R196-A209 PolarHBondContact O-N 3.03Å; D198-A209 HydrophobicContact CB-CB 4.22Å; F207-A209 HydrophobicContact CD2-CB 4.32Å; F207-A209 HydrophobicContact CE2-CB 3.99Å; A209-Q211 PolarHBondContact O-NE2 3.4Å
210Y97Very high89.2Confident0 Ų056.3 Ų56.30%030%0.297CS..EExtended strand (participates in β ladder)trans-90.7130178.4-57.4-78.6000109.9I192 F195 I208 R223 F228 R264 R265 L268I192-Y210 HydrophobicContact CG2-CD1 4.12Å; I192-Y210 HydrophobicContact CG2-CG 4.45Å; F195-Y210 HydrophobicContact CB-CD1 3.8Å; F195-Y210 HydrophobicContact CB-CE1 4.02Å; I208-Y210 HydrophobicContact CG2-CE1 4.02Å; I208-Y210 HydrophobicContact CG2-CE2 4.23Å; Y210-R223 WeakPolarHBondContact CB-O 3.47Å; Y210-R223 WeakPolarHBondContact CD2-O 3.44Å; Y210-R223 PolarHBondContact N-O 3.28Å; Y210-R223 PolarHBondContact O-N 3.07Å; Y210-F228 HydrophobicContact CD2-CE2 4.03Å; Y210-R264 WeakPolarHBondContact OH-CD 3.36Å; Y210-R265 HydrophobicContact CD1-CB 4.32Å; Y210-R265 HydrophobicContact CD1-CG 4.21Å; Y210-R265 HydrophobicContact CE1-CB 4Å; Y210-R265 HydrophobicContact CE1-CG 4.4Å; Y210-L268 HydrophobicContact CD1-CD1 4.3Å; Y210-L268 HydrophobicContact CD2-CD1 3.79Å; Y210-L268 HydrophobicContact CE1-CD1 4.04Å; Y210-L268 HydrophobicContact CE2-CD1 3.49Å; Y210-L268 VanDerWaalsContact CE2-CD1 3.49Å; Y210-L268 HydrophobicContact CG-CD1 4.2Å
211Q97.1Very high89.9Confident9 Ų954.7 Ų54.74%0.04229%0.29CS..EExtended strand (participates in β ladder)trans-91.2109.1177.4-55.1-45.9-7600108.9I192 S193 S194 A209 Q220 S222I192-Q211 CarbonylContact C-O 3.57Å; I192-Q211 WeakPolarHBondContact CA-O 3.37Å; S193-Q211 PolarHBondContact N-O 3.35Å; S194-Q211 PolarHBondContact O-N 3.42Å; S194-Q211 WeakPolarHBondContact OG-CG 3.32Å; A209-Q211 PolarHBondContact O-NE2 3.4Å; Q211-Q220 HydrophobicContact CB-CG 4.31Å; Q211-S222 PolarHBondContact NE2-OG 3.46Å
212I97.8Very high90.8Very high0 Ų052.6 Ų52.60%028%0.283CS..EExtended strand (participates in β ladder)trans-105.9126.8-176.1-48.7173.4000108C191 I192 Q220 V221 R223 F228 L272 F290 L291C191-I212 CarbonylContact O-C 3.58Å; C191-I212 WeakPolarHBondContact O-CA 3.49Å; I192-I212 HydrophobicContact CG1-CG1 4.36Å; I212-Q220 CarbonylContact O-C 3.54Å; I212-Q220 VanDerWaalsContact O-CA 3.31Å; I212-Q220 WeakPolarHBondContact O-CA 3.46Å; I212-V221 HydrophobicContact CB-CG2 3.93Å; I212-V221 PolarHBondContact N-O 3.3Å; I212-V221 PolarHBondContact O-N 3.2Å; I212-R223 HydrophobicContact CD1-CB 3.8Å; I212-R223 HydrophobicContact CD1-CG 3.74Å; I212-F228 HydrophobicContact CD1-CE1 4.28Å; I212-F228 HydrophobicContact CD1-CE2 4.05Å; I212-F228 HydrophobicContact CD1-CZ 3.48Å; I212-F228 VanDerWaalsContact CD1-CZ 3.48Å; I212-F228 HydrophobicContact CG1-CZ 4.38Å; I212-L272 HydrophobicContact CD1-CD1 4.11Å; I212-L272 HydrophobicContact CG1-CD1 4.46Å; I212-L272 HydrophobicContact CG2-CD1 4Å; I212-F290 HydrophobicContact CD1-CE1 3.64Å; I212-F290 HydrophobicContact CD1-CZ 4.04Å; I212-L291 HydrophobicContact CG2-CD2 3.87Å
213T96.9Very high91.7Very high19 Ų1943 Ų4312%0.11724%0.242CC..EExtended strand (participates in β ladder)trans-115.4131.8171.5-57.10000109.1S190 C191 T219S190-T213 CarbonylContact C-O 3.57Å; S190-T213 VanDerWaalsContact CA-O 3.31Å; S190-T213 WeakPolarHBondContact CA-O 3.44Å; C191-T213 PolarHBondContact N-O 2.95Å; C191-T213 PolarHBondContact O-N 2.93Å; T213-T219 WeakPolarHBondContact CA-O 3.48Å
214N93.8Very high92.5Very high2 Ų241.8 Ų41.81%0.01122%0.224CC..EExtended strand (participates in β ladder)trans-97147.5174.677.285.5000111.2L188 T189 V216 T217 Q218 T219 L291L188-N214 HydrophobicContact CD1-CB 4.25Å; T189-N214 CarbonylContact O-C 3.56Å; T189-N214 WeakPolarHBondContact O-CA 3.26Å; N214-V216 PolarHBondContact O-N 3.37Å; N214-V216 PolarHBondContact OD1-N 3.31Å; N214-T217 PolarHBondContact ND2-OG1 3.24Å; N214-T217 PolarHBondContact OD1-N 3.16Å; N214-T217 PolarHBondContact OD1-OG1 3.36Å; N214-T217 VanDerWaalsContact OD1-OG1 3.07Å; N214-Q218 WeakPolarHBondContact O-CA 3.21Å; N214-Q218 PolarHBondContact O-N 2.85Å; N214-T219 PolarHBondContact N-O 3.18Å; N214-T219 PolarHBondContact ND2-O 3.02Å; N214-L291 HydrophobicContact CB-CB 4.47Å; N214-L291 PolarHBondContact ND2-O 3.34Å
215S90.8Very high93.3Very high36 Ų3636.6 Ų36.625%0.25220%0.195SC..THydrogen-bonded Turntrans-70.9-27.9-175.548.80000114.8D187 T189 Q218D187-S215 PolarHBondContact O-OG 3.23Å; T189-S215 PolarHBondContact N-OG 3.31Å; T189-S215 PolarHBondContact O-N 3.41Å; T189-S215 PolarHBondContact O-OG 2.86Å; T189-S215 WeakPolarHBondContact OG1-CB 3.32Å; T189-S215 PolarHBondContact OG1-OG 3.37Å; S215-Q218 PolarHBondContact O-NE2 3.48Å
216V87.2Confident93.7Very high95 Ų9537.1 Ų37.158%0.57620%0.197SC*.THydrogen-bonded Turntrans-77.3-50.7-171.2179.60000111.1L188 N214L188-V216 HydrophobicContact CB-CG2 4.3Å; L188-V216 HydrophobicContact CD1-CG2 4.02Å; N214-V216 PolarHBondContact O-N 3.37Å; N214-V216 PolarHBondContact OD1-N 3.31Å
217T87.9Confident94.1Very high71 Ų7137 Ų3744%0.43619%0.193SC..THydrogen-bonded Turntrans-102.5-5.1-177.773.20000112.9N214 T219N214-T217 PolarHBondContact ND2-OG1 3.24Å; N214-T217 PolarHBondContact OD1-N 3.16Å; N214-T217 PolarHBondContact OD1-OG1 3.36Å; N214-T217 VanDerWaalsContact OD1-OG1 3.07Å; T217-T219 WeakPolarHBondContact CB-OG1 3.39Å; T217-T219 PolarHBondContact O-N 3.15Å; T217-T219 PolarHBondContact O-OG1 3.26Å; T217-T219 WeakPolarHBondContact OG1-CB 3.26Å; T217-T219 PolarHBondContact OG1-N 2.72Å; T217-T219 PolarHBondContact OG1-OG1 3.48Å
218Q90.2Very high94.4Very high133 Ų13335.1 Ų35.162%0.62119%0.185SC*.  trans51.521.4-173.4-62.7-65-31.300113.1N214 S215N214-Q218 WeakPolarHBondContact O-CA 3.21Å; N214-Q218 PolarHBondContact O-N 2.85Å; S215-Q218 PolarHBondContact O-NE2 3.48Å
219T90Very high94.5Very high40 Ų4036.2 Ų36.225%0.24519%0.191CC..  trans-81128.9-177.4-55.50000109.1T213 N214 T217 V221 T294T213-T219 WeakPolarHBondContact CA-O 3.48Å; N214-T219 PolarHBondContact N-O 3.18Å; N214-T219 PolarHBondContact ND2-O 3.02Å; T217-T219 WeakPolarHBondContact CB-OG1 3.39Å; T217-T219 PolarHBondContact O-N 3.15Å; T217-T219 PolarHBondContact O-OG1 3.26Å; T217-T219 WeakPolarHBondContact OG1-CB 3.26Å; T217-T219 PolarHBondContact OG1-N 2.72Å; T217-T219 PolarHBondContact OG1-OG1 3.48Å; T219-V221 HydrophobicContact CG2-CG1 4.39Å; T219-T294 HydrophobicContact CG2-CG2 3.39Å
220Q94.7Very high94.7Very high101 Ų10137.4 Ų37.447%0.47220%0.196SC..EExtended strand (participates in β ladder)trans-92.1126.1173-174.4173.288.200110.3Q211 I212Q211-Q220 HydrophobicContact CB-CG 4.31Å; I212-Q220 CarbonylContact O-C 3.54Å; I212-Q220 VanDerWaalsContact O-CA 3.31Å; I212-Q220 WeakPolarHBondContact O-CA 3.46Å
221V95.6Very high94.7Very high3 Ų337.4 Ų37.42%0.01820%0.196CC..EExtended strand (participates in β ladder)trans-118.8144174-62.50000110.5I212 T219 R223 T294I212-V221 HydrophobicContact CB-CG2 3.93Å; I212-V221 PolarHBondContact N-O 3.3Å; I212-V221 PolarHBondContact O-N 3.2Å; T219-V221 HydrophobicContact CG2-CG1 4.39Å; V221-R223 HydrophobicContact CG2-CG 4.17Å; V221-T294 HydrophobicContact CG1-CG2 3.94Å
222S95.7Very high94.8Very high41 Ų4138.2 Ų38.229%0.28720%0.199SC..EExtended strand (participates in β ladder)trans-95.8121.4173.6-170.30000109.7R196 Q211R196-S222 PolarHBondContact NH2-OG 2.96Å; Q211-S222 PolarHBondContact NE2-OG 3.46Å
223R96.9Very high94.8Very high14 Ų1440.6 Ų40.65%0.05322%0.216CC..EExtended strand (participates in β ladder)trans-132.4135.5179.5-62.8-66.1179.5-102.11.9110.9Y210 I212 V221 H227 F228 F290 C293Y210-R223 WeakPolarHBondContact CB-O 3.47Å; Y210-R223 WeakPolarHBondContact CD2-O 3.44Å; Y210-R223 PolarHBondContact N-O 3.28Å; Y210-R223 PolarHBondContact O-N 3.07Å; I212-R223 HydrophobicContact CD1-CB 3.8Å; I212-R223 HydrophobicContact CD1-CG 3.74Å; V221-R223 HydrophobicContact CG2-CG 4.17Å; R223-H227 HydrophobicContact CB-CB 4.41Å; R223-F228 HydrophobicContact CB-CE2 4.01Å; R223-F290 HydrophobicContact CB-CE2 4.31Å; R223-F290 HydrophobicContact CB-CZ 3.92Å; R223-F290 HydrophobicContact CG-CE1 4.13Å; R223-F290 HydrophobicContact CG-CE2 3.93Å; R223-F290 HydrophobicContact CG-CZ 3.68Å; R223-F290 VanDerWaalsContact CZ-O 3.3Å; R223-F290 PolarHBondContact NE-O 2.87Å; R223-F290 PolarHBondContact NH2-O 3Å; R223-C293 PolarHBondContact NH1-O 3.48Å; R223-C293 PolarHBondContact NH2-O 2.74Å
224R95.1Very high94.9Very high17 Ų1742.6 Ų42.66%0.06422%0.221CC..EExtended strand (participates in β ladder)trans-94.7164.3172.864.9-175177.7154.6-2.1110.7F207 I208 K226 H227 F228F207-R224 HydrophobicContact CD2-CB 3.61Å; F207-R224 HydrophobicContact CD2-CG 4.35Å; F207-R224 HydrophobicContact CE2-CB 4.07Å; I208-R224 WeakPolarHBondContact O-CA 3.49Å; I208-R224 WeakPolarHBondContact O-CB 3.28Å; R224-K226 VanDerWaalsContact C-N 3.27Å; R224-K226 HydrophobicContact CG-CB 4.27Å; R224-K226 PolarHBondContact O-N 3.11Å; R224-H227 PolarHBondContact NE-NE2 3.47Å; R224-H227 WeakPolarHBondContact O-CA 3.26Å; R224-H227 WeakPolarHBondContact O-CB 2.88Å; R224-H227 PolarHBondContact O-N 3.31Å; R224-F228 WeakPolarHBondContact O-CD2 3.45Å; R224-F228 PolarHBondContact O-N 3.26Å
225Y95.3Very high95.1Very high31 Ų3142.5 Ų42.512%0.12222%0.221CC..Hα-helixtrans-52.7-40.3178.3-179.1-82.9000113.2H227 F228 D229 P248 K250 R264 L268Y225-H227 PolarHBondContact O-N 3.35Å; Y225-H227 VanDerWaalsContact O-N 3.16Å; Y225-F228 WeakPolarHBondContact O-CA 3.39Å; Y225-F228 WeakPolarHBondContact O-CB 3.4Å; Y225-F228 PolarHBondContact O-N 3.25Å; Y225-D229 HydrophobicContact CE1-CB 4.22Å; Y225-D229 PolarHBondContact O-N 3.47Å; Y225-P248 HydrophobicContact CE2-CB 4.37Å; Y225-P248 HydrophobicContact CE2-CG 4.19Å; Y225-P248 WeakPolarHBondContact CE2-O 3.49Å; Y225-P248 PolarHBondContact OH-O 3.29Å; Y225-K250 HydrophobicContact CE1-CD 4.21Å; Y225-K250 HydrophobicContact CE1-CG 3.68Å; Y225-K250 WeakPolarHBondContact OH-CG 3.47Å; Y225-R264 HydrophobicContact CD2-CG 4.47Å; Y225-L268 HydrophobicContact CD2-CD2 4.45Å
226K94.6Very high95.4Very high74 Ų7444.9 Ų44.932%0.32223%0.23SC..Hα-helixtrans-58.2-29.6175.6-173174.7177.2-176.60113D85 R224 W230D85-K226 WeakPolarHBondContact OD1-CE 3.48Å; D85-K226 IonicContact OD1-NZ 3.01Å; D85-K226 PolarHBondContact OD1-NZ 3.09Å; R224-K226 VanDerWaalsContact C-N 3.27Å; R224-K226 HydrophobicContact CG-CB 4.27Å; R224-K226 PolarHBondContact O-N 3.11Å; K226-W230 WeakPolarHBondContact O-CB 3.21Å; K226-W230 PolarHBondContact O-N 3.03Å
227H97.6Very high95.8Very high31 Ų3142 Ų4214%0.14422%0.215CC..Hα-helixtrans-73.4-35.8175.4-58.1166.7000111.7R223 R224 Y225 L231 F290 W299R223-H227 HydrophobicContact CB-CB 4.41Å; R224-H227 PolarHBondContact NE-NE2 3.47Å; R224-H227 WeakPolarHBondContact O-CA 3.26Å; R224-H227 WeakPolarHBondContact O-CB 2.88Å; R224-H227 PolarHBondContact O-N 3.31Å; Y225-H227 PolarHBondContact O-N 3.35Å; Y225-H227 VanDerWaalsContact O-N 3.16Å; H227-L231 WeakPolarHBondContact O-CB 3.17Å; H227-L231 PolarHBondContact O-N 2.91Å; H227-F290 HydrophobicContact CB-CE2 3.9Å; H227-W299 HydrophobicContact CB-CZ2 4.25Å
228F98.2Very high96.2Very high0 Ų038.9 Ų38.90%020%0.195CC..Hα-helixtrans-64.5-46.1171.2-73.9-94000110.9I192 Y210 I212 R223 R224 Y225 W230 L231 H232 L247 L268 W271 L272 F290I192-F228 HydrophobicContact CD1-CZ 4.27Å; Y210-F228 HydrophobicContact CD2-CE2 4.03Å; I212-F228 HydrophobicContact CD1-CE1 4.28Å; I212-F228 HydrophobicContact CD1-CE2 4.05Å; I212-F228 HydrophobicContact CD1-CZ 3.48Å; I212-F228 VanDerWaalsContact CD1-CZ 3.48Å; I212-F228 HydrophobicContact CG1-CZ 4.38Å; R223-F228 HydrophobicContact CB-CE2 4.01Å; R224-F228 WeakPolarHBondContact O-CD2 3.45Å; R224-F228 PolarHBondContact O-N 3.26Å; Y225-F228 WeakPolarHBondContact O-CA 3.39Å; Y225-F228 WeakPolarHBondContact O-CB 3.4Å; Y225-F228 PolarHBondContact O-N 3.25Å; F228-W230 VanDerWaalsContact C-N 3.31Å; F228-W230 PolarHBondContact O-N 3.33Å; F228-L231 PolarHBondContact O-N 3.22Å; F228-H232 VanDerWaalsContact O-CB 3.31Å; F228-H232 WeakPolarHBondContact O-CB 3.29Å; F228-H232 PolarHBondContact O-N 2.95Å; F228-L247 HydrophobicContact CB-CD1 4.01Å; F228-L247 HydrophobicContact CB-CD2 4.31Å; F228-L268 HydrophobicContact CB-CD2 4.23Å; F228-L268 HydrophobicContact CD1-CD2 3.79Å; F228-L268 HydrophobicContact CD2-CD1 4.27Å; F228-L268 HydrophobicContact CD2-CD2 4.29Å; F228-L268 HydrophobicContact CE1-CB 4.32Å; F228-L268 HydrophobicContact CE1-CD2 4.11Å; F228-L268 HydrophobicContact CE2-CD1 4.1Å; F228-L268 HydrophobicContact CG-CD2 3.87Å; F228-L268 HydrophobicContact CZ-CB 4.37Å; F228-L268 HydrophobicContact CZ-CD1 4.31Å; F228-L268 HydrophobicContact CZ-CD2 4.49Å; F228-W271 HydrophobicContact CD1-CE3 4.39Å; F228-W271 HydrophobicContact CD1-CZ3 4.43Å; F228-L272 HydrophobicContact CE1-CD1 3.86Å; F228-L272 HydrophobicContact CE1-CD2 3.87Å; F228-L272 HydrophobicContact CE1-CG 3.81Å; F228-L272 HydrophobicContact CZ-CD1 4.12Å; F228-F290 HydrophobicContact CD1-CE1 4.32Å; F228-F290 AromaticContact CD1-CZ 3.83Å; F228-F290 HydrophobicContact CD1-CZ 3.83Å; F228-F290 AromaticContact CD2-CZ 3.99Å; F228-F290 HydrophobicContact CD2-CZ 3.99Å; F228-F290 HydrophobicContact CE1-CE1 4.03Å; F228-F290 AromaticContact CE1-CZ 3.84Å; F228-F290 HydrophobicContact CE1-CZ 3.84Å; F228-F290 AromaticContact CE2-CZ 3.99Å; F228-F290 HydrophobicContact CE2-CZ 3.99Å; F228-F290 AromaticContact CG-CZ 3.92Å; F228-F290 HydrophobicContact CG-CZ 3.92Å; F228-F290 HydrophobicContact CZ-CE1 4.25Å; F228-F290 AromaticContact CZ-CZ 3.94Å; F228-F290 HydrophobicContact CZ-CZ 3.94Å
229D97.8Very high96.6Very high43 Ų4332.9 Ų32.923%0.2317%0.167CC..Hα-helixtrans-57.2-43.7177.1-168.464.7000112Y225 S233 L247 K250Y225-D229 HydrophobicContact CE1-CB 4.22Å; Y225-D229 PolarHBondContact O-N 3.47Å; D229-S233 WeakPolarHBondContact O-CB 3.46Å; D229-S233 PolarHBondContact O-N 3.27Å; D229-S233 PolarHBondContact O-OG 3.5Å; D229-L247 HydrophobicContact CB-CD1 4.36Å; D229-K250 WeakPolarHBondContact OD1-CE 3.42Å; D229-K250 IonicContact OD1-NZ 3.98Å; D229-K250 PolarHBondContact OD1-NZ 2.83Å; D229-K250 IonicContact OD2-NZ 3.76Å; D229-K250 PolarHBondContact OD2-NZ 3.22Å
230W98.1Very high96.9Very high26 Ų2631.8 Ų31.810%0.09816%0.16CC..Hα-helixtrans-60.4-52.3172169.984.6000112.1K226 F228 H232 S233 R234 V286 W299 K303 A306 E307K226-W230 WeakPolarHBondContact O-CB 3.21Å; K226-W230 PolarHBondContact O-N 3.03Å; F228-W230 VanDerWaalsContact C-N 3.31Å; F228-W230 PolarHBondContact O-N 3.33Å; W230-H232 PolarHBondContact O-N 2.97Å; W230-S233 WeakPolarHBondContact O-CB 3.39Å; W230-S233 PolarHBondContact O-N 3.26Å; W230-S233 VanDerWaalsContact O-N 3.16Å; W230-R234 HydrophobicContact CD2-CG 4.2Å; W230-R234 HydrophobicContact CH2-CG 4.31Å; W230-R234 HydrophobicContact CZ2-CG 3.71Å; W230-R234 WeakPolarHBondContact O-CG 3.43Å; W230-R234 PolarHBondContact O-N 3.16Å; W230-V286 HydrophobicContact CH2-CG2 3.72Å; W230-V286 HydrophobicContact CZ3-CG2 4.19Å; W230-W299 HydrophobicContact CE3-CH2 4.19Å; W230-W299 HydrophobicContact CE3-CZ2 4.42Å; W230-W299 AromaticContact CZ3-CH2 3.79Å; W230-W299 HydrophobicContact CZ3-CH2 3.79Å; W230-W299 HydrophobicContact CZ3-CZ2 4.35Å; W230-W299 HydrophobicContact CZ3-CZ3 4.48Å; W230-K303 HydrophobicContact CD2-CG 4.37Å; W230-K303 HydrophobicContact CH2-CB 4.25Å; W230-K303 HydrophobicContact CH2-CG 3.76Å; W230-K303 VanDerWaalsContact CZ2-CA 3.48Å; W230-K303 HydrophobicContact CZ2-CB 3.73Å; W230-K303 HydrophobicContact CZ2-CG 3.55Å; W230-K303 HydrophobicContact CZ3-CG 4.24Å; W230-A306 HydrophobicContact CH2-CB 4.28Å; W230-A306 HydrophobicContact CZ2-CB 4.15Å; W230-E307 PolarHBondContact NE1-OE1 2.83Å
231L98.6Very high97Very high0 Ų027 Ų270%014%0.137CC..Hα-helixtrans-58.8-48.7179.9170.966.3000111H227 F228 S233 R234 L235 W271 V286 F287 F290H227-L231 WeakPolarHBondContact O-CB 3.17Å; H227-L231 PolarHBondContact O-N 2.91Å; F228-L231 PolarHBondContact O-N 3.22Å; L231-S233 VanDerWaalsContact C-N 3.26Å; L231-S233 PolarHBondContact O-N 2.87Å; L231-R234 WeakPolarHBondContact O-CA 3.28Å; L231-R234 WeakPolarHBondContact O-CB 3.4Å; L231-R234 PolarHBondContact O-N 3.49Å; L231-L235 HydrophobicContact CD1-CD1 4.19Å; L231-L235 HydrophobicContact CD1-CD2 4.35Å; L231-L235 HydrophobicContact CD1-CG 4.03Å; L231-L235 HydrophobicContact CG-CD1 4.05Å; L231-L235 HydrophobicContact CG-CG 4.29Å; L231-L235 WeakPolarHBondContact O-CG 3.48Å; L231-L235 PolarHBondContact O-N 2.93Å; L231-W271 HydrophobicContact CD2-CH2 3.86Å; L231-W271 HydrophobicContact CD2-CZ3 3.94Å; L231-W271 HydrophobicContact CG-CH2 4.23Å; L231-V286 HydrophobicContact CD1-CG2 3.94Å; L231-F287 HydrophobicContact CD2-CD2 3.93Å; L231-F287 HydrophobicContact CD2-CE2 4.29Å; L231-F290 HydrophobicContact CB-CD2 3.96Å; L231-F290 HydrophobicContact CB-CE2 4.24Å; L231-F290 HydrophobicContact CD1-CB 4.31Å; L231-F290 HydrophobicContact CD2-CB 3.97Å; L231-F290 HydrophobicContact CD2-CD1 3.74Å; L231-F290 HydrophobicContact CD2-CD2 3.75Å; L231-F290 HydrophobicContact CD2-CE1 4.12Å; L231-F290 HydrophobicContact CD2-CE2 4.14Å; L231-F290 HydrophobicContact CD2-CG 3.55Å; L231-F290 HydrophobicContact CD2-CZ 4.32Å; L231-F290 HydrophobicContact CG-CD2 4.34Å; L231-F290 HydrophobicContact CG-CG 4.45Å
232H98.4Very high97.1Very high26 Ų2627.1 Ų27.112%0.1214%0.138CC..Hα-helixtrans-55.1-43.8177.2174.1-95.8000111.3F228 W230 R234 L235 L236 P245 L247 W271F228-H232 VanDerWaalsContact O-CB 3.31Å; F228-H232 WeakPolarHBondContact O-CB 3.29Å; F228-H232 PolarHBondContact O-N 2.95Å; W230-H232 PolarHBondContact O-N 2.97Å; H232-R234 PolarHBondContact O-N 3.38Å; H232-L235 PolarHBondContact O-N 3.13Å; H232-L236 WeakPolarHBondContact CE1-CD1 3.46Å; H232-L236 WeakPolarHBondContact O-CG 3.36Å; H232-L236 PolarHBondContact O-N 3.44Å; H232-P245 PolarHBondContact CD2-O 3.48Å; H232-P245 PolarHBondContact NE2-O 2.92Å; H232-L247 HydrophobicContact CB-CD1 3.6Å; H232-L247 HydrophobicContact CB-CG 3.98Å; H232-W271 HydrophobicContact CB-CZ2 4.25Å
233S98Very high97.2Very high49 Ų4925.4 Ų25.434%0.34313%0.126SC..Hα-helixtrans-64.8-37.5175.5-56.30000112.8D229 W230 L231 S237D229-S233 WeakPolarHBondContact O-CB 3.46Å; D229-S233 PolarHBondContact O-N 3.27Å; D229-S233 PolarHBondContact O-OG 3.5Å; W230-S233 WeakPolarHBondContact O-CB 3.39Å; W230-S233 PolarHBondContact O-N 3.26Å; W230-S233 VanDerWaalsContact O-N 3.16Å; L231-S233 VanDerWaalsContact C-N 3.26Å; L231-S233 PolarHBondContact O-N 2.87Å; S233-S237 WeakPolarHBondContact O-CB 3.49Å; S233-S237 PolarHBondContact O-N 2.98Å
234R98.1Very high97.2Very high62 Ų6224.8 Ų24.823%0.23412%0.124CC..Hα-helixtrans-66.3-42.3173.8-65.2-55.382.4163.30.9112W230 L231 H232 S237 K238 V286 E307W230-R234 HydrophobicContact CD2-CG 4.2Å; W230-R234 HydrophobicContact CH2-CG 4.31Å; W230-R234 HydrophobicContact CZ2-CG 3.71Å; W230-R234 WeakPolarHBondContact O-CG 3.43Å; W230-R234 PolarHBondContact O-N 3.16Å; L231-R234 WeakPolarHBondContact O-CA 3.28Å; L231-R234 WeakPolarHBondContact O-CB 3.4Å; L231-R234 PolarHBondContact O-N 3.49Å; H232-R234 PolarHBondContact O-N 3.38Å; R234-S237 PolarHBondContact O-N 3.12Å; R234-K238 WeakPolarHBondContact O-CB 3.49Å; R234-K238 PolarHBondContact O-N 2.9Å; R234-V286 HydrophobicContact CB-CG2 4.35Å; R234-E307 VanDerWaalsContact NH1-CG 3.27Å
235L98.4Very high97.2Very high0 Ų024.4 Ų24.40%012%0.123CC..Hα-helixtrans-64-43.4177.7-65.2176000111.6L231 H232 K238 Y239 I244 W271 M275 V281 V286L231-L235 HydrophobicContact CD1-CD1 4.19Å; L231-L235 HydrophobicContact CD1-CD2 4.35Å; L231-L235 HydrophobicContact CD1-CG 4.03Å; L231-L235 HydrophobicContact CG-CD1 4.05Å; L231-L235 HydrophobicContact CG-CG 4.29Å; L231-L235 WeakPolarHBondContact O-CG 3.48Å; L231-L235 PolarHBondContact O-N 2.93Å; H232-L235 PolarHBondContact O-N 3.13Å; L235-K238 PolarHBondContact O-N 2.83Å; L235-Y239 HydrophobicContact CB-CD2 4.47Å; L235-Y239 HydrophobicContact CD2-CD2 4.2Å; L235-Y239 HydrophobicContact CD2-CE2 3.71Å; L235-Y239 WeakPolarHBondContact O-CD2 3.44Å; L235-Y239 PolarHBondContact O-N 3.44Å; L235-I244 HydrophobicContact CB-CD1 3.99Å; L235-I244 HydrophobicContact CB-CG1 4.06Å; L235-I244 HydrophobicContact CB-CG2 4.32Å; L235-I244 HydrophobicContact CD1-CD1 4.46Å; L235-W271 HydrophobicContact CD1-CH2 3.73Å; L235-W271 HydrophobicContact CD1-CZ2 4.04Å; L235-M275 HydrophobicContact CD1-SD 4.41Å; L235-V281 HydrophobicContact CD1-CG1 4.18Å; L235-V281 HydrophobicContact CD2-CG1 4.01Å; L235-V286 HydrophobicContact CD2-CG1 4.19Å
236L96.9Very high97.2Very high85 Ų8525 Ų2545%0.44513%0.131SC..Hα-helixtrans-63.2-39.1174.2-75.3175.7000112.8H232 I244H232-L236 WeakPolarHBondContact CE1-CD1 3.46Å; H232-L236 WeakPolarHBondContact O-CG 3.36Å; H232-L236 PolarHBondContact O-N 3.44Å; L236-I244 HydrophobicContact CD2-CB 3.87Å; L236-I244 HydrophobicContact CD2-CG1 4.25Å; L236-I244 HydrophobicContact CG-CB 4.37Å
237S96.3Very high97.3Very high36 Ų3622.3 Ų22.325%0.25212%0.12SC..Hα-helixtrans-67.7-38.4176.2-161.60000111.6S233 R234 Q312 G313S233-S237 WeakPolarHBondContact O-CB 3.49Å; S233-S237 PolarHBondContact O-N 2.98Å; R234-S237 PolarHBondContact O-N 3.12Å; S237-Q312 PolarHBondContact OG-OE1 2.86Å; S237-G313 PolarHBondContact O-N 3.3Å
238K96.8Very high96.9Very high5 Ų521 Ų212%0.02211%0.114CC..Hα-helixtrans-75.8-46.7-175.8-172.9172.2171.773.40113.1E169 R234 L235 P240 D309 G313E169-K238 VanDerWaalsContact CD-NZ 3.34Å; E169-K238 IonicContact OE1-NZ 3.81Å; E169-K238 PolarHBondContact OE1-NZ 3.38Å; E169-K238 WeakPolarHBondContact OE2-CE 3.16Å; E169-K238 IonicContact OE2-NZ 2.9Å; E169-K238 PolarHBondContact OE2-NZ 3.25Å; R234-K238 WeakPolarHBondContact O-CB 3.49Å; R234-K238 PolarHBondContact O-N 2.9Å; L235-K238 PolarHBondContact O-N 2.83Å; K238-P240 WeakPolarHBondContact O-CD 3.5Å; K238-D309 IonicContact NZ-OD2 3.76Å; K238-D309 PolarHBondContact NZ-OD2 3.47Å; K238-G313 PolarHBondContact O-N 2.99Å
239Y97.7Very high96.2Very high7 Ų728.7 Ų28.73%0.02715%0.15CC..  trans-107.4106.8-167-58.5-62.1000112.6L235 I242 V280 V281 S284 F316L235-Y239 HydrophobicContact CB-CD2 4.47Å; L235-Y239 HydrophobicContact CD2-CD2 4.2Å; L235-Y239 HydrophobicContact CD2-CE2 3.71Å; L235-Y239 WeakPolarHBondContact O-CD2 3.44Å; L235-Y239 PolarHBondContact O-N 3.44Å; Y239-I242 HydrophobicContact CD1-CD1 3.76Å; Y239-I242 HydrophobicContact CD2-CD1 4.12Å; Y239-I242 HydrophobicContact CE1-CD1 4.32Å; Y239-I242 HydrophobicContact CG-CB 4.48Å; Y239-I242 HydrophobicContact CG-CD1 3.65Å; Y239-I242 HydrophobicContact CG-CG1 4.31Å; Y239-V280 HydrophobicContact CE1-CG1 3.94Å; Y239-V281 HydrophobicContact CD2-CG2 4.35Å; Y239-V281 HydrophobicContact CE2-CG2 4.18Å; Y239-S284 WeakPolarHBondContact OH-CB 3.45Å; Y239-S284 PolarHBondContact OH-OG 3.13Å; Y239-F316 HydrophobicContact CD1-CD1 4.22Å; Y239-F316 AromaticContact CD1-CD2 3.93Å; Y239-F316 HydrophobicContact CD1-CD2 3.93Å; Y239-F316 HydrophobicContact CD1-CE1 4.02Å; Y239-F316 AromaticContact CD1-CE2 3.76Å; Y239-F316 HydrophobicContact CD1-CE2 3.76Å; Y239-F316 HydrophobicContact CD1-CG 4.17Å; Y239-F316 AromaticContact CD1-CZ 3.79Å; Y239-F316 HydrophobicContact CD1-CZ 3.79Å; Y239-F316 AromaticContact CE1-CD2 3.88Å; Y239-F316 HydrophobicContact CE1-CD2 3.88Å; Y239-F316 AromaticContact CE1-CE2 3.48Å; Y239-F316 HydrophobicContact CE1-CE2 3.48Å; Y239-F316 VanDerWaalsContact CE1-CE2 3.48Å; Y239-F316 AromaticContact CE1-CZ 3.83Å; Y239-F316 HydrophobicContact CE1-CZ 3.83Å
240P96.2Very high95.6Very high16 Ų1632.7 Ų32.710%0.10417%0.166CC..SBendtrans-78.5-19.3-178.632.3-37.2000113.8K238 G313 L314 Y317 L447K238-P240 WeakPolarHBondContact O-CD 3.5Å; P240-G313 WeakPolarHBondContact CD-O 3.31Å; P240-G313 WeakPolarHBondContact CG-O 3.46Å; P240-L314 HydrophobicContact CB-CD1 3.68Å; P240-L314 HydrophobicContact CG-CD1 4.12Å; P240-Y317 HydrophobicContact CG-CD2 4.34Å; P240-Y317 HydrophobicContact CG-CE2 3.58Å; P240-L447 HydrophobicContact CB-CD2 4.15Å
241C96.7Very high94.8Very high0 Ų033 Ų330%017%0.174CC..SBendtrans-111.3-7.1-174.259.60000114.4Y317 S486 I487 E490C241-Y317 WeakPolarHBondContact CB-OH 3.27Å; C241-S486 WeakPolarHBondContact CB-OG 3.4Å; C241-I487 HydrophobicContact CB-CG1 4.02Å; C241-E490 WeakPolarHBondContact O-CB 3.46Å; C241-E490 VanDerWaalsContact O-CG 3.26Å; C241-E490 WeakPolarHBondContact O-CG 3.44Å
242I97.9Very high93.5Very high6 Ų639.9 Ų39.93%0.03121%0.209CC..SBendtrans-95.7129.6-178-61.1177.5000109.3Y239 I244 H278 V280 V281Y239-I242 HydrophobicContact CD1-CD1 3.76Å; Y239-I242 HydrophobicContact CD2-CD1 4.12Å; Y239-I242 HydrophobicContact CE1-CD1 4.32Å; Y239-I242 HydrophobicContact CG-CB 4.48Å; Y239-I242 HydrophobicContact CG-CD1 3.65Å; Y239-I242 HydrophobicContact CG-CG1 4.31Å; I242-I244 HydrophobicContact CB-CD1 4.31Å; I242-I244 HydrophobicContact CG2-CD1 3.6Å; I242-I244 HydrophobicContact CG2-CG1 4.37Å; I242-I244 PolarHBondContact O-N 3.11Å; I242-H278 WeakPolarHBondContact CG2-NE2 3.36Å; I242-V280 HydrophobicContact CD1-CB 3.82Å; I242-V280 HydrophobicContact CD1-CG1 3.92Å; I242-V280 HydrophobicContact CD1-CG2 4.43Å; I242-V281 HydrophobicContact CD1-CG2 3.98Å; I242-V281 HydrophobicContact CG2-CG2 4.12Å
243C97.1Very high92.5Very high5 Ų544.8 Ų44.83%0.03424%0.241CC..  trans-79.888.8176.6-710000110.2P245 L437 N440 E490 I494C243-P245 WeakPolarHBondContact O-CD 3.5Å; C243-L437 HydrophobicContact CB-CD1 3.66Å; C243-L437 WeakPolarHBondContact O-CD1 3.28Å; C243-N440 HydrophobicContact CB-CB 4.06Å; C243-E490 PolarHBondContact N-OE1 2.89Å; C243-I494 HydrophobicContact CB-CD1 4.06Å
244I97.4Very high91.7Very high2 Ų243.3 Ų43.31%0.0123%0.234CC..  trans-75.3114.9176.3-53.2-62.5000109.6L235 L236 I242 W271 M275 V281 N440L235-I244 HydrophobicContact CB-CD1 3.99Å; L235-I244 HydrophobicContact CB-CG1 4.06Å; L235-I244 HydrophobicContact CB-CG2 4.32Å; L235-I244 HydrophobicContact CD1-CD1 4.46Å; L236-I244 HydrophobicContact CD2-CB 3.87Å; L236-I244 HydrophobicContact CD2-CG1 4.25Å; L236-I244 HydrophobicContact CG-CB 4.37Å; I242-I244 HydrophobicContact CB-CD1 4.31Å; I242-I244 HydrophobicContact CG2-CD1 3.6Å; I242-I244 HydrophobicContact CG2-CG1 4.37Å; I242-I244 PolarHBondContact O-N 3.11Å; I244-W271 HydrophobicContact CG2-CZ2 4.14Å; I244-M275 HydrophobicContact CD1-SD 4.12Å; I244-M275 HydrophobicContact CG2-SD 4.41Å; I244-V281 HydrophobicContact CD1-CG2 4.05Å; I244-N440 PolarHBondContact O-ND2 2.82Å
245P95.2Very high90.9Very high8 Ų846 Ų465%0.05224%0.244CC..PPolyproline II helixtrans-63.5148.1-179.2-5.914.3000111.4H232 C243 W271 R274 M275 L437H232-P245 PolarHBondContact CD2-O 3.48Å; H232-P245 PolarHBondContact NE2-O 2.92Å; C243-P245 WeakPolarHBondContact O-CD 3.5Å; P245-W271 PolarHBondContact O-NE1 3.01Å; P245-R274 HydrophobicContact CG-CG 4.08Å; P245-M275 HydrophobicContact CG-CE 3.77Å; P245-L437 HydrophobicContact CB-CD1 4.33Å; P245-L437 HydrophobicContact CG-CD1 4.03Å
246P95.4Very high90.4Very high45 Ų4549.3 Ų49.329%0.29226%0.257SS..PPolyproline II helixtrans-68.2152.8177.329.1-35.2000112R436P246-R436 WeakPolarHBondContact CD-O 3.44Å; P246-R436 HydrophobicContact CG-CB 3.83Å; P246-R436 PolarHBondContact O-NH2 3.38Å
247L95.5Very high90Very high17 Ų1751.2 Ų51.29%0.08926%0.263CS..PPolyproline II helixtrans-79158.2173.8-68175.6000112.7F228 D229 H232 L268 W271 R436F228-L247 HydrophobicContact CB-CD1 4.01Å; F228-L247 HydrophobicContact CB-CD2 4.31Å; D229-L247 HydrophobicContact CB-CD1 4.36Å; H232-L247 HydrophobicContact CB-CD1 3.6Å; H232-L247 HydrophobicContact CB-CG 3.98Å; L247-L268 HydrophobicContact CD2-CD2 4.11Å; L247-W271 HydrophobicContact CD2-CD2 3.72Å; L247-W271 HydrophobicContact CD2-CE3 4.29Å; L247-W271 HydrophobicContact CD2-CG 3.85Å; L247-W271 HydrophobicContact CD2-CZ2 4.31Å; L247-R436 PolarHBondContact O-NH2 3.25Å
248P90.9Very high89.7Confident3 Ų354 Ų542%0.01928%0.276CS..PPolyproline II helixtrans-46.8149.8168.5-4.3-5.2000112.9Y225 R264 W267 L268Y225-P248 HydrophobicContact CE2-CB 4.37Å; Y225-P248 HydrophobicContact CE2-CG 4.19Å; Y225-P248 WeakPolarHBondContact CE2-O 3.49Å; Y225-P248 PolarHBondContact OH-O 3.29Å; P248-R264 HydrophobicContact CB-CG 4.07Å; P248-R264 HydrophobicContact CG-CG 4.01Å; P248-W267 HydrophobicContact CB-CB 4.31Å; P248-W267 HydrophobicContact CB-CD2 4.5Å; P248-W267 HydrophobicContact CB-CE3 3.57Å; P248-W267 HydrophobicContact CB-CZ3 4.23Å; P248-W267 HydrophobicContact CG-CB 3.9Å; P248-W267 HydrophobicContact CG-CE3 4.36Å; P248-L268 HydrophobicContact CG-CD2 3.74Å; P248-L268 HydrophobicContact CG-CG 3.89Å
249E83.9Confident89.2Confident162 Ų16259.4 Ų59.476%0.75731%0.305SS*.PPolyproline II helixtrans-63.1151.1-179.8-67.6-174.8-178.900114A251 R264E249-A251 PolarHBondContact O-N 3.16Å; E249-R264 PolarHBondContact O-NH2 3.43Å
250K84.7Confident88.8Confident127 Ų12761.3 Ų61.355%0.55231%0.313SS*.  trans-82.393.4174.1-61.1-176-169.3-172.80109Y225 D229Y225-K250 HydrophobicContact CE1-CD 4.21Å; Y225-K250 HydrophobicContact CE1-CG 3.68Å; Y225-K250 WeakPolarHBondContact OH-CG 3.47Å; D229-K250 WeakPolarHBondContact OD1-CE 3.42Å; D229-K250 IonicContact OD1-NZ 3.98Å; D229-K250 PolarHBondContact OD1-NZ 2.83Å; D229-K250 IonicContact OD2-NZ 3.76Å; D229-K250 PolarHBondContact OD2-NZ 3.22Å
251A80.3Confident88.6Confident32 Ų3260.6 Ų60.626%0.26431%0.309SS..  trans-72.5133.516900000111.6E249 F260 R264E249-A251 PolarHBondContact O-N 3.16Å; A251-F260 HydrophobicContact CB-CD2 4.38Å; A251-F260 HydrophobicContact CB-CE1 3.68Å; A251-F260 HydrophobicContact CB-CE2 3.54Å; A251-F260 HydrophobicContact CB-CZ 3.14Å; A251-R264 VanDerWaalsContact N-NH2 3.19Å
252I72.3Confident88.3Confident145 Ų14562 Ų6274%0.74432%0.316SS*.SBendtrans-89.3-54.4175.5-60.4174.2000109.6
253T76.7Confident88Confident128 Ų12866.1 Ų66.179%0.78534%0.335SS*.SBendtrans-90.6148.3176-52.70000110R255T253-R255 PolarHBondContact O-N 2.85Å
254G81Confident87.8Confident19 Ų1966.9 Ų66.920%0.19634%0.337CS..SBendtrans69.99.7-179.600000114.6Y256 E257G254-Y256 PolarHBondContact O-N 2.81Å; G254-E257 VanDerWaalsContact CA-OE1 3.31Å; G254-E257 WeakPolarHBondContact CA-OE1 3.2Å; G254-E257 WeakPolarHBondContact O-CB 2.88Å; G254-E257 PolarHBondContact O-N 2.8Å
255R81.7Confident87.7Confident119 Ų11969.2 Ų69.245%0.44935%0.346SS..THydrogen-bonded Turntrans-62.5-10.6-173.276.7-177.2-173.5-143.70.2115.7T253 V261T253-R255 PolarHBondContact O-N 2.85Å; R255-V261 WeakPolarHBondContact O-CG2 3.36Å
256Y87.2Confident87.5Confident69 Ų6972.6 Ų72.627%0.27136%0.36SS..THydrogen-bonded Turntrans-115.11.8177.7-57.6-63.8000112.8S206 I208 G254 D258S206-Y256 PolarHBondContact O-OH 2.93Å; S206-Y256 PolarHBondContact OG-OH 3.03Å; I208-Y256 HydrophobicContact CD1-CD1 3.93Å; I208-Y256 HydrophobicContact CD1-CE1 4.46Å; I208-Y256 HydrophobicContact CG1-CD1 4.19Å; G254-Y256 PolarHBondContact O-N 2.81Å; Y256-D258 PolarHBondContact O-N 2.98Å
257E89.7Confident87.4Confident124 Ų12474.2 Ų74.258%0.57936%0.36SS*.  trans-66.9131.3175.1-68.7170.1-166.400109.3G254 D259 F260 V261G254-E257 VanDerWaalsContact CA-OE1 3.31Å; G254-E257 WeakPolarHBondContact CA-OE1 3.2Å; G254-E257 WeakPolarHBondContact O-CB 2.88Å; G254-E257 PolarHBondContact O-N 2.8Å; E257-D259 VanDerWaalsContact C-N 3.31Å; E257-D259 PolarHBondContact O-N 3.41Å; E257-F260 HydrophobicContact CB-CB 4.21Å; E257-F260 WeakPolarHBondContact O-CB 3.11Å; E257-F260 PolarHBondContact O-N 3.11Å; E257-F260 VanDerWaalsContact O-N 3.16Å; E257-V261 WeakPolarHBondContact O-CG2 3.49Å; E257-V261 PolarHBondContact O-N 3.41Å
258D88.7Confident87.5Confident95 Ų9573.4 Ų73.451%0.50836%0.356SS..Hα-helixtrans-59.1-41.3-171-76.5-18.1000112.3Y256 F260 V261 D262Y256-D258 PolarHBondContact O-N 2.98Å; D258-F260 PolarHBondContact O-N 3.12Å; D258-V261 PolarHBondContact O-N 2.93Å; D258-D262 WeakPolarHBondContact O-CB 3.25Å; D258-D262 PolarHBondContact O-N 3.4Å
259D87.6Confident87.7Confident119 Ų11975 Ų7564%0.63636%0.363SS*.Hα-helixtrans-61.2-46.2177.5-71.2-19.1000111.9E257 D262 E263E257-D259 VanDerWaalsContact C-N 3.31Å; E257-D259 PolarHBondContact O-N 3.41Å; D259-D262 PolarHBondContact O-N 3.31Å; D259-E263 WeakPolarHBondContact O-CB 3.28Å; D259-E263 PolarHBondContact O-N 2.97Å
260F89.4Confident88.2Confident47 Ų4769.6 Ų69.621%0.20634%0.338CS..Hα-helixtrans-63.6-43.5177.5173.5-99.7000111.7A251 E257 D258 E263 R264A251-F260 HydrophobicContact CB-CD2 4.38Å; A251-F260 HydrophobicContact CB-CE1 3.68Å; A251-F260 HydrophobicContact CB-CE2 3.54Å; A251-F260 HydrophobicContact CB-CZ 3.14Å; E257-F260 HydrophobicContact CB-CB 4.21Å; E257-F260 WeakPolarHBondContact O-CB 3.11Å; E257-F260 PolarHBondContact O-N 3.11Å; E257-F260 VanDerWaalsContact O-N 3.16Å; D258-F260 PolarHBondContact O-N 3.12Å; F260-E263 PolarHBondContact O-N 2.76Å; F260-R264 VanDerWaalsContact CZ-CZ 3.4Å; F260-R264 WeakPolarHBondContact O-CB 3.46Å; F260-R264 PolarHBondContact O-N 2.89Å
261V92Very high88.7Confident1 Ų164 Ų641%0.00631%0.313CS..Hα-helixtrans-67.6-38.9-179.4178.20000111F195 I208 R255 E257 D258 R265F195-V261 HydrophobicContact CB-CG1 4.47Å; F195-V261 HydrophobicContact CD1-CG1 3.9Å; F195-V261 HydrophobicContact CD2-CB 4.48Å; F195-V261 HydrophobicContact CD2-CG1 3.39Å; F195-V261 HydrophobicContact CE1-CG1 3.93Å; F195-V261 HydrophobicContact CE2-CB 4.04Å; F195-V261 HydrophobicContact CE2-CG1 3.4Å; F195-V261 HydrophobicContact CG-CG1 3.65Å; F195-V261 HydrophobicContact CZ-CB 4.13Å; F195-V261 HydrophobicContact CZ-CG1 3.68Å; I208-V261 HydrophobicContact CD1-CG2 4.48Å; I208-V261 HydrophobicContact CG1-CG1 4.22Å; I208-V261 HydrophobicContact CG1-CG2 4.09Å; I208-V261 HydrophobicContact CG2-CG1 3.75Å; R255-V261 WeakPolarHBondContact O-CG2 3.36Å; E257-V261 WeakPolarHBondContact O-CG2 3.49Å; E257-V261 PolarHBondContact O-N 3.41Å; D258-V261 PolarHBondContact O-N 2.93Å; V261-R265 WeakPolarHBondContact O-CB 3.49Å; V261-R265 PolarHBondContact O-N 3.43Å
262D90.7Very high89.5Confident30 Ų3062.4 Ų62.416%0.1630%0.301CS..Hα-helixtrans-69.1-41.6175.7-175.653.5000112.3F195 D258 D259 R264 R265 K266F195-D262 HydrophobicContact CE1-CB 4.13Å; F195-D262 HydrophobicContact CZ-CB 4.34Å; D258-D262 WeakPolarHBondContact O-CB 3.25Å; D258-D262 PolarHBondContact O-N 3.4Å; D259-D262 PolarHBondContact O-N 3.31Å; D262-R264 VanDerWaalsContact C-N 3.34Å; D262-R264 PolarHBondContact O-N 3.29Å; D262-R265 WeakPolarHBondContact O-CB 3.38Å; D262-R265 PolarHBondContact O-N 3.39Å; D262-R265 VanDerWaalsContact O-N 3.15Å; D262-R265 IonicContact OD1-CZ 3.98Å; D262-R265 IonicContact OD1-NE 2.62Å; D262-R265 PolarHBondContact OD1-NE 2.97Å; D262-R265 IonicContact OD1-NH2 3.32Å; D262-R265 PolarHBondContact OD1-NH2 3Å; D262-K266 WeakPolarHBondContact O-CG 3.49Å; D262-K266 PolarHBondContact O-N 3.35Å; D262-K266 WeakPolarHBondContact OD2-CE 3.3Å; D262-K266 IonicContact OD2-NZ 3.74Å; D262-K266 PolarHBondContact OD2-NZ 2.96Å
263E89.8Confident90.6Very high92 Ų9257.9 Ų57.943%0.4328%0.279SS..Hα-helixtrans-59.5-46.6173.6-173.6177.7-160.500111D259 F260 R265 K266 W267D259-E263 WeakPolarHBondContact O-CB 3.28Å; D259-E263 PolarHBondContact O-N 2.97Å; F260-E263 PolarHBondContact O-N 2.76Å; E263-R265 VanDerWaalsContact C-N 3.31Å; E263-R265 PolarHBondContact O-N 3.5Å; E263-K266 WeakPolarHBondContact O-CB 3.43Å; E263-K266 PolarHBondContact O-N 3.16Å; E263-W267 HydrophobicContact CG-CZ2 4.22Å; E263-W267 PolarHBondContact O-N 3.43Å; E263-W267 WeakPolarHBondContact OE1-CZ2 3.02Å
264R93.6Very high91.4Very high21 Ų2152.5 Ų52.58%0.07925%0.245CC..Hα-helixtrans-60-41.2174.3179.7-177.5-82.3170.3-7.9111.7Y210 Y225 P248 E249 A251 F260 D262 K266 W267 L268Y210-R264 WeakPolarHBondContact OH-CD 3.36Å; Y225-R264 HydrophobicContact CD2-CG 4.47Å; P248-R264 HydrophobicContact CB-CG 4.07Å; P248-R264 HydrophobicContact CG-CG 4.01Å; E249-R264 PolarHBondContact O-NH2 3.43Å; A251-R264 VanDerWaalsContact N-NH2 3.19Å; F260-R264 VanDerWaalsContact CZ-CZ 3.4Å; F260-R264 WeakPolarHBondContact O-CB 3.46Å; F260-R264 PolarHBondContact O-N 2.89Å; D262-R264 VanDerWaalsContact C-N 3.34Å; D262-R264 PolarHBondContact O-N 3.29Å; R264-K266 VanDerWaalsContact C-N 3.34Å; R264-K266 PolarHBondContact O-N 3.26Å; R264-W267 PolarHBondContact O-N 3.23Å; R264-L268 HydrophobicContact CG-CD1 4.09Å; R264-L268 HydrophobicContact CG-CG 4.3Å; R264-L268 WeakPolarHBondContact O-CB 3.46Å; R264-L268 VanDerWaalsContact O-CG 3.3Å; R264-L268 WeakPolarHBondContact O-CG 3.29Å; R264-L268 PolarHBondContact O-N 3.44Å
265R94.8Very high92.2Very high51 Ų5151.7 Ų51.719%0.19224%0.236CC..Hα-helixtrans-59-45.2175.8-176-153.352.883.80.6110.6I192 F195 Y210 V261 D262 E263 W267 L268 Q269I192-R265 HydrophobicContact CB-CG 4.18Å; I192-R265 HydrophobicContact CG2-CG 3.62Å; F195-R265 HydrophobicContact CD1-CB 4.06Å; F195-R265 HydrophobicContact CD1-CG 4.13Å; F195-R265 HydrophobicContact CE1-CB 4.36Å; Y210-R265 HydrophobicContact CD1-CB 4.32Å; Y210-R265 HydrophobicContact CD1-CG 4.21Å; Y210-R265 HydrophobicContact CE1-CB 4Å; Y210-R265 HydrophobicContact CE1-CG 4.4Å; V261-R265 WeakPolarHBondContact O-CB 3.49Å; V261-R265 PolarHBondContact O-N 3.43Å; D262-R265 WeakPolarHBondContact O-CB 3.38Å; D262-R265 PolarHBondContact O-N 3.39Å; D262-R265 VanDerWaalsContact O-N 3.15Å; D262-R265 IonicContact OD1-CZ 3.98Å; D262-R265 IonicContact OD1-NE 2.62Å; D262-R265 PolarHBondContact OD1-NE 2.97Å; D262-R265 IonicContact OD1-NH2 3.32Å; D262-R265 PolarHBondContact OD1-NH2 3Å; E263-R265 VanDerWaalsContact C-N 3.31Å; E263-R265 PolarHBondContact O-N 3.5Å; R265-W267 PolarHBondContact O-N 3.44Å; R265-L268 PolarHBondContact O-N 2.93Å; R265-Q269 WeakPolarHBondContact O-CB 3.2Å; R265-Q269 PolarHBondContact O-N 3.32Å
266K92.2Very high92.8Very high78 Ų7846.4 Ų46.434%0.33922%0.217SC..Hα-helixtrans-59-44.7176.6-69.7169.6-178.7154.40111.6D262 E263 R264 Q269 Q270D262-K266 WeakPolarHBondContact O-CG 3.49Å; D262-K266 PolarHBondContact O-N 3.35Å; D262-K266 WeakPolarHBondContact OD2-CE 3.3Å; D262-K266 IonicContact OD2-NZ 3.74Å; D262-K266 PolarHBondContact OD2-NZ 2.96Å; E263-K266 WeakPolarHBondContact O-CB 3.43Å; E263-K266 PolarHBondContact O-N 3.16Å; R264-K266 VanDerWaalsContact C-N 3.34Å; R264-K266 PolarHBondContact O-N 3.26Å; K266-Q269 WeakPolarHBondContact O-CB 3.49Å; K266-Q269 PolarHBondContact O-N 2.95Å; K266-Q270 WeakPolarHBondContact O-CG 3.4Å; K266-Q270 PolarHBondContact O-N 3.34Å
267W93Very high93.2Very high80 Ų8049.5 Ų49.530%0.30323%0.232SC..Hα-helixtrans-69.7-38.6178-69.73.8000113.3P248 E263 R264 R265 Q269 Q270 W271P248-W267 HydrophobicContact CB-CB 4.31Å; P248-W267 HydrophobicContact CB-CD2 4.5Å; P248-W267 HydrophobicContact CB-CE3 3.57Å; P248-W267 HydrophobicContact CB-CZ3 4.23Å; P248-W267 HydrophobicContact CG-CB 3.9Å; P248-W267 HydrophobicContact CG-CE3 4.36Å; E263-W267 HydrophobicContact CG-CZ2 4.22Å; E263-W267 PolarHBondContact O-N 3.43Å; E263-W267 WeakPolarHBondContact OE1-CZ2 3.02Å; R264-W267 PolarHBondContact O-N 3.23Å; R265-W267 PolarHBondContact O-N 3.44Å; W267-Q269 VanDerWaalsContact C-N 3.29Å; W267-Q269 PolarHBondContact O-N 3.03Å; W267-Q270 PolarHBondContact O-N 2.95Å; W267-W271 WeakPolarHBondContact O-CB 3.44Å; W267-W271 PolarHBondContact O-N 3.3Å
268L96.6Very high93.5Very high0 Ų044 Ų440%021%0.206CC..Hα-helixtrans-63.2-38.1173.1-70.6175.4000111.3I192 Y210 Y225 F228 L247 P248 R264 R265 W271 L272I192-L268 HydrophobicContact CD1-CB 3.63Å; Y210-L268 HydrophobicContact CD1-CD1 4.3Å; Y210-L268 HydrophobicContact CD2-CD1 3.79Å; Y210-L268 HydrophobicContact CE1-CD1 4.04Å; Y210-L268 HydrophobicContact CE2-CD1 3.49Å; Y210-L268 VanDerWaalsContact CE2-CD1 3.49Å; Y210-L268 HydrophobicContact CG-CD1 4.2Å; Y225-L268 HydrophobicContact CD2-CD2 4.45Å; F228-L268 HydrophobicContact CB-CD2 4.23Å; F228-L268 HydrophobicContact CD1-CD2 3.79Å; F228-L268 HydrophobicContact CD2-CD1 4.27Å; F228-L268 HydrophobicContact CD2-CD2 4.29Å; F228-L268 HydrophobicContact CE1-CB 4.32Å; F228-L268 HydrophobicContact CE1-CD2 4.11Å; F228-L268 HydrophobicContact CE2-CD1 4.1Å; F228-L268 HydrophobicContact CG-CD2 3.87Å; F228-L268 HydrophobicContact CZ-CB 4.37Å; F228-L268 HydrophobicContact CZ-CD1 4.31Å; F228-L268 HydrophobicContact CZ-CD2 4.49Å; L247-L268 HydrophobicContact CD2-CD2 4.11Å; P248-L268 HydrophobicContact CG-CD2 3.74Å; P248-L268 HydrophobicContact CG-CG 3.89Å; R264-L268 HydrophobicContact CG-CD1 4.09Å; R264-L268 HydrophobicContact CG-CG 4.3Å; R264-L268 WeakPolarHBondContact O-CB 3.46Å; R264-L268 VanDerWaalsContact O-CG 3.3Å; R264-L268 WeakPolarHBondContact O-CG 3.29Å; R264-L268 PolarHBondContact O-N 3.44Å; R265-L268 PolarHBondContact O-N 2.93Å; L268-W271 PolarHBondContact O-N 3.16Å; L268-L272 WeakPolarHBondContact O-CG 3.42Å; L268-L272 PolarHBondContact O-N 2.79Å
269Q96.2Very high93.9Very high37 Ų3740 Ų4017%0.17319%0.186CC..Hα-helixtrans-61-49.9173.8172.163.671.900111.1S190 C191 I192 R265 K266 W267 W271 L272 T273S190-Q269 PolarHBondContact O-NE2 2.87Å; C191-Q269 VanDerWaalsContact CA-OE1 3.23Å; I192-Q269 HydrophobicContact CD1-CB 4.2Å; I192-Q269 HydrophobicContact CG1-CB 4.33Å; R265-Q269 WeakPolarHBondContact O-CB 3.2Å; R265-Q269 PolarHBondContact O-N 3.32Å; K266-Q269 WeakPolarHBondContact O-CB 3.49Å; K266-Q269 PolarHBondContact O-N 2.95Å; W267-Q269 VanDerWaalsContact C-N 3.29Å; W267-Q269 PolarHBondContact O-N 3.03Å; Q269-W271 VanDerWaalsContact C-N 3.33Å; Q269-W271 PolarHBondContact O-N 3.37Å; Q269-L272 PolarHBondContact O-N 2.58Å; Q269-T273 PolarHBondContact NE2-OG1 3.38Å; Q269-T273 PolarHBondContact O-N 3.31Å; Q269-T273 PolarHBondContact O-OG1 2.62Å
270Q93.4Very high94.3Very high47 Ų4734.8 Ų34.822%0.2216%0.158CC..Hα-helixtrans-59.1-45.2177.6-7117522.600111.3K266 W267 L272 T273 R274 E429K266-Q270 WeakPolarHBondContact O-CG 3.4Å; K266-Q270 PolarHBondContact O-N 3.34Å; W267-Q270 PolarHBondContact O-N 2.95Å; Q270-L272 PolarHBondContact O-N 2.89Å; Q270-T273 WeakPolarHBondContact O-CB 3.42Å; Q270-T273 PolarHBondContact O-N 3.49Å; Q270-R274 PolarHBondContact O-N 3.16Å; Q270-E429 PolarHBondContact NE2-OE2 2.94Å
271W96.4Very high94.7Very high9 Ų932.5 Ų32.53%0.03415%0.148CC..Hα-helixtrans-57.8-48.8176.9-172.792.1000111.9F228 L231 H232 L235 I244 P245 L247 W267 L268 Q269 T273 R274 M275 F287F228-W271 HydrophobicContact CD1-CE3 4.39Å; F228-W271 HydrophobicContact CD1-CZ3 4.43Å; L231-W271 HydrophobicContact CD2-CH2 3.86Å; L231-W271 HydrophobicContact CD2-CZ3 3.94Å; L231-W271 HydrophobicContact CG-CH2 4.23Å; H232-W271 HydrophobicContact CB-CZ2 4.25Å; L235-W271 HydrophobicContact CD1-CH2 3.73Å; L235-W271 HydrophobicContact CD1-CZ2 4.04Å; I244-W271 HydrophobicContact CG2-CZ2 4.14Å; P245-W271 PolarHBondContact O-NE1 3.01Å; L247-W271 HydrophobicContact CD2-CD2 3.72Å; L247-W271 HydrophobicContact CD2-CE3 4.29Å; L247-W271 HydrophobicContact CD2-CG 3.85Å; L247-W271 HydrophobicContact CD2-CZ2 4.31Å; W267-W271 WeakPolarHBondContact O-CB 3.44Å; W267-W271 PolarHBondContact O-N 3.3Å; L268-W271 PolarHBondContact O-N 3.16Å; Q269-W271 VanDerWaalsContact C-N 3.33Å; Q269-W271 PolarHBondContact O-N 3.37Å; W271-T273 PolarHBondContact O-N 3.46Å; W271-R274 PolarHBondContact O-N 2.99Å; W271-M275 HydrophobicContact CD2-CG 4Å; W271-M275 HydrophobicContact CE3-CG 3.91Å; W271-M275 HydrophobicContact CH2-CG 3.73Å; W271-M275 HydrophobicContact CH2-SD 4.47Å; W271-M275 HydrophobicContact CZ2-CG 3.8Å; W271-M275 HydrophobicContact CZ2-SD 4.12Å; W271-M275 HydrophobicContact CZ3-CG 3.78Å; W271-M275 WeakPolarHBondContact O-CG 3.36Å; W271-M275 PolarHBondContact O-N 3.01Å; W271-F287 HydrophobicContact CZ3-CE2 4.43Å
272L97.1Very high94.9Very high0 Ų032.8 Ų32.80%015%0.15CC..Hα-helixtrans-61.5-42.9176.2-74.6177.6000112.2S190 I192 I212 F228 L268 Q269 Q270 R274 M275 C276 F287 F290 L291S190-L272 WeakPolarHBondContact OG-CB 3.06Å; I192-L272 HydrophobicContact CD1-CD1 3.9Å; I192-L272 HydrophobicContact CG1-CD1 3.91Å; I212-L272 HydrophobicContact CD1-CD1 4.11Å; I212-L272 HydrophobicContact CG1-CD1 4.46Å; I212-L272 HydrophobicContact CG2-CD1 4Å; F228-L272 HydrophobicContact CE1-CD1 3.86Å; F228-L272 HydrophobicContact CE1-CD2 3.87Å; F228-L272 HydrophobicContact CE1-CG 3.81Å; F228-L272 HydrophobicContact CZ-CD1 4.12Å; L268-L272 WeakPolarHBondContact O-CG 3.42Å; L268-L272 PolarHBondContact O-N 2.79Å; Q269-L272 PolarHBondContact O-N 2.58Å; Q270-L272 PolarHBondContact O-N 2.89Å; L272-R274 VanDerWaalsContact C-N 3.28Å; L272-R274 PolarHBondContact O-N 3.17Å; L272-M275 PolarHBondContact O-N 3.18Å; L272-C276 WeakPolarHBondContact O-CB 3.46Å; L272-C276 PolarHBondContact O-N 2.88Å; L272-C276 PolarHBondContact O-SG 3.43Å; L272-F287 HydrophobicContact CD2-CE2 4.17Å; L272-F287 HydrophobicContact CD2-CZ 4.44Å; L272-F290 HydrophobicContact CD2-CE1 4.2Å; L272-L291 HydrophobicContact CD2-CD2 4.19Å
273T95Very high95.1Very high49 Ų4934.4 Ų34.430%0.30116%0.156SC..Hα-helixtrans-58.1-41.8177.2-63.20000111.4Q269 Q270 W271 K277Q269-T273 PolarHBondContact NE2-OG1 3.38Å; Q269-T273 PolarHBondContact O-N 3.31Å; Q269-T273 PolarHBondContact O-OG1 2.62Å; Q270-T273 WeakPolarHBondContact O-CB 3.42Å; Q270-T273 PolarHBondContact O-N 3.49Å; W271-T273 PolarHBondContact O-N 3.46Å; T273-K277 HydrophobicContact CG2-CD 4.31Å; T273-K277 WeakPolarHBondContact O-CG 3.47Å; T273-K277 PolarHBondContact O-N 3.04Å; T273-K277 VanDerWaalsContact O-N 3.14Å
274R94.3Very high95.3Very high15 Ų1530.3 Ų30.36%0.05714%0.138CC..Hα-helixtrans-64-44.2175.8-172.167.563.2-169.9-9.3111.5P245 Q270 W271 L272 K277 H278 E433 E501P245-R274 HydrophobicContact CG-CG 4.08Å; Q270-R274 PolarHBondContact O-N 3.16Å; W271-R274 PolarHBondContact O-N 2.99Å; L272-R274 VanDerWaalsContact C-N 3.28Å; L272-R274 PolarHBondContact O-N 3.17Å; R274-K277 PolarHBondContact O-N 2.92Å; R274-H278 PolarHBondContact O-N 2.77Å; R274-E433 IonicContact CZ-OE1 2.86Å; R274-E433 IonicContact CZ-OE2 3.36Å; R274-E433 IonicContact NE-OE1 3.35Å; R274-E433 PolarHBondContact NE-OE1 3.01Å; R274-E433 IonicContact NH2-OE1 2.7Å; R274-E433 PolarHBondContact NH2-OE1 3.09Å; R274-E433 IonicContact NH2-OE2 3.83Å; R274-E433 PolarHBondContact NH2-OE2 3.26Å; R274-E501 IonicContact CZ-OE1 3.33Å; R274-E501 VanDerWaalsContact CZ-OE1 3.23Å; R274-E501 IonicContact NH1-OE1 2.88Å; R274-E501 PolarHBondContact NH1-OE1 3.15Å; R274-E501 IonicContact NH2-OE1 2.86Å; R274-E501 PolarHBondContact NH2-OE1 3.18Å; R274-E501 IonicContact NH2-OE2 3.55Å; R274-E501 PolarHBondContact NH2-OE2 3.31Å
275M96.4Very high95.4Very high3 Ų333.2 Ų33.22%0.01516%0.162CC..Hα-helixtrans-67.1-39.7179.5-62.9-55.58800112.5L235 I244 P245 W271 L272 K277 H278 V281 F287L235-M275 HydrophobicContact CD1-SD 4.41Å; I244-M275 HydrophobicContact CD1-SD 4.12Å; I244-M275 HydrophobicContact CG2-SD 4.41Å; P245-M275 HydrophobicContact CG-CE 3.77Å; W271-M275 HydrophobicContact CD2-CG 4Å; W271-M275 HydrophobicContact CE3-CG 3.91Å; W271-M275 HydrophobicContact CH2-CG 3.73Å; W271-M275 HydrophobicContact CH2-SD 4.47Å; W271-M275 HydrophobicContact CZ2-CG 3.8Å; W271-M275 HydrophobicContact CZ2-SD 4.12Å; W271-M275 HydrophobicContact CZ3-CG 3.78Å; W271-M275 WeakPolarHBondContact O-CG 3.36Å; W271-M275 PolarHBondContact O-N 3.01Å; L272-M275 PolarHBondContact O-N 3.18Å; M275-K277 VanDerWaalsContact C-N 3.27Å; M275-K277 PolarHBondContact O-N 2.89Å; M275-H278 PolarHBondContact O-N 2.86Å; M275-V281 HydrophobicContact CB-CG1 4.13Å; M275-V281 HydrophobicContact SD-CG1 4.19Å; M275-F287 HydrophobicContact CB-CD2 4.41Å; M275-F287 HydrophobicContact CB-CE1 4.34Å; M275-F287 HydrophobicContact CB-CE2 3.56Å; M275-F287 HydrophobicContact CB-CZ 3.51Å; M275-F287 HydrophobicContact CG-CE2 4.32Å
276C95.8Very high95.5Very high8 Ų831.2 Ų31.25%0.05416%0.155CC..Hα-helixtrans-61.9-32.8173.3-74.40000112.8L188 S190 L272 S282L188-C276 WeakPolarHBondContact O-CB 3.43Å; S190-C276 PolarHBondContact OG-SG 3.28Å; L272-C276 WeakPolarHBondContact O-CB 3.46Å; L272-C276 PolarHBondContact O-N 2.88Å; L272-C276 PolarHBondContact O-SG 3.43Å; C276-S282 WeakPolarHBondContact O-CB 3.28Å
277K94Very high95.8Very high134 Ų13427.5 Ų27.558%0.58314%0.139SC*.Hα-helixtrans-81.7-12.7177.4-73.7177.9178.1-178.30114.2T273 R274 M275T273-K277 HydrophobicContact CG2-CD 4.31Å; T273-K277 WeakPolarHBondContact O-CG 3.47Å; T273-K277 PolarHBondContact O-N 3.04Å; T273-K277 VanDerWaalsContact O-N 3.14Å; R274-K277 PolarHBondContact O-N 2.92Å; M275-K277 VanDerWaalsContact C-N 3.27Å; M275-K277 PolarHBondContact O-N 2.89Å
278H96.4Very high95.9Very high8 Ų826.9 Ų26.94%0.03714%0.141CC..SBendtrans-79124.9-177.3-175-63.9000110.7I242 R274 M275 V280 V281 S282 E490I242-H278 WeakPolarHBondContact CG2-NE2 3.36Å; R274-H278 PolarHBondContact O-N 2.77Å; M275-H278 PolarHBondContact O-N 2.86Å; H278-V280 VanDerWaalsContact C-N 3.31Å; H278-V280 PolarHBondContact ND1-N 2.76Å; H278-V280 PolarHBondContact O-N 2.68Å; H278-V280 VanDerWaalsContact O-N 3.16Å; H278-V281 HydrophobicContact CB-CB 4.06Å; H278-V281 HydrophobicContact CB-CG2 4.3Å; H278-V281 PolarHBondContact ND1-N 2.99Å; H278-S282 VanDerWaalsContact O-CB 3.28Å; H278-S282 WeakPolarHBondContact O-CB 3.39Å; H278-S282 PolarHBondContact O-N 3.03Å; H278-S282 PolarHBondContact O-OG 2.85Å; H278-E490 IonicContact NE2-OE1 2.88Å; H278-E490 IonicContact NE2-OE2 3.64Å; H278-E490 PolarHBondContact NE2-OE2 3.43Å; H278-E490 VanDerWaalsContact NE2-OE2 3.17Å
279P96.3Very high95.9Very high12 Ų1228.6 Ų28.68%0.07815%0.149CC..THydrogen-bonded Turntrans-57.5-36.1-172-26.935.7000115.4W181 R183 H283 L493W181-P279 HydrophobicContact CB-CB 3.86Å; W181-P279 HydrophobicContact CB-CG 4.05Å; R183-P279 HydrophobicContact CG-CG 4.14Å; P279-H283 PolarHBondContact O-ND1 3.39Å; P279-L493 HydrophobicContact CG-CD1 4.48Å; P279-L493 HydrophobicContact CG-CD2 4.38Å
280V97Very high95.9Very high8 Ų826.8 Ų26.85%0.04814%0.14CC..THydrogen-bonded Turntrans-85.4-56.6177.7-175.90000112.5A170 W181 Y239 I242 H278 S282 H283 S284 F316A170-V280 HydrophobicContact CB-CG1 4Å; A170-V280 HydrophobicContact CB-CG2 3.78Å; W181-V280 HydrophobicContact CD2-CG2 3.74Å; W181-V280 HydrophobicContact CE3-CG2 3.67Å; W181-V280 HydrophobicContact CG-CG2 4.15Å; W181-V280 HydrophobicContact CZ3-CG2 4.09Å; Y239-V280 HydrophobicContact CE1-CG1 3.94Å; I242-V280 HydrophobicContact CD1-CB 3.82Å; I242-V280 HydrophobicContact CD1-CG1 3.92Å; I242-V280 HydrophobicContact CD1-CG2 4.43Å; H278-V280 VanDerWaalsContact C-N 3.31Å; H278-V280 PolarHBondContact ND1-N 2.76Å; H278-V280 PolarHBondContact O-N 2.68Å; H278-V280 VanDerWaalsContact O-N 3.16Å; V280-S282 VanDerWaalsContact C-N 3.29Å; V280-S282 PolarHBondContact O-N 2.9Å; V280-H283 PolarHBondContact O-N 2.75Å; V280-H283 VanDerWaalsContact O-N 3.08Å; V280-S284 PolarHBondContact O-N 2.76Å; V280-F316 HydrophobicContact CG1-CZ 4.04Å
281V97.1Very high96.1Very high0 Ų024.6 Ų24.60%013%0.13CC..G310 helixtrans-58.1-37-176.1-179.70000112.9L235 Y239 I242 I244 M275 H278 H283 S284 F287L235-V281 HydrophobicContact CD1-CG1 4.18Å; L235-V281 HydrophobicContact CD2-CG1 4.01Å; Y239-V281 HydrophobicContact CD2-CG2 4.35Å; Y239-V281 HydrophobicContact CE2-CG2 4.18Å; I242-V281 HydrophobicContact CD1-CG2 3.98Å; I242-V281 HydrophobicContact CG2-CG2 4.12Å; I244-V281 HydrophobicContact CD1-CG2 4.05Å; M275-V281 HydrophobicContact CB-CG1 4.13Å; M275-V281 HydrophobicContact SD-CG1 4.19Å; H278-V281 HydrophobicContact CB-CB 4.06Å; H278-V281 HydrophobicContact CB-CG2 4.3Å; H278-V281 PolarHBondContact ND1-N 2.99Å; V281-H283 PolarHBondContact O-N 3.46Å; V281-H283 VanDerWaalsContact O-N 3.16Å; V281-S284 WeakPolarHBondContact O-CB 3.44Å; V281-S284 PolarHBondContact O-N 3.44Å; V281-F287 HydrophobicContact CG1-CB 4.33Å; V281-F287 HydrophobicContact CG1-CD1 4.41Å; V281-F287 HydrophobicContact CG1-CD2 4.21Å; V281-F287 HydrophobicContact CG1-CG 4.07Å; V281-F287 WeakPolarHBondContact O-CB 3.49Å; V281-F287 WeakPolarHBondContact O-CD1 3.32Å
282S96Very high96Very high6 Ų626.2 Ų26.24%0.04214%0.141CC..G310 helixtrans-64.8-18.8-179.867.20000114.1L188 C276 H278 V280L188-S282 WeakPolarHBondContact CD2-O 3.42Å; C276-S282 WeakPolarHBondContact O-CB 3.28Å; H278-S282 VanDerWaalsContact O-CB 3.28Å; H278-S282 WeakPolarHBondContact O-CB 3.39Å; H278-S282 PolarHBondContact O-N 3.03Å; H278-S282 PolarHBondContact O-OG 2.85Å; V280-S282 VanDerWaalsContact C-N 3.29Å; V280-S282 PolarHBondContact O-N 2.9Å
283H94.9Very high96Very high64 Ų6426.8 Ų26.830%0.29615%0.145SC..G310 helixtrans-103.40.8175.9-62.186.8000112.9P279 V280 V281 S285P279-H283 PolarHBondContact O-ND1 3.39Å; V280-H283 PolarHBondContact O-N 2.75Å; V280-H283 VanDerWaalsContact O-N 3.08Å; V281-H283 PolarHBondContact O-N 3.46Å; V281-H283 VanDerWaalsContact O-N 3.16Å; H283-S285 PolarHBondContact O-N 2.84Å
284S95.4Very high95.9Very high6 Ų629.2 Ų29.24%0.04216%0.16CC..  trans-66.7131.3179.9-173.80000111.3Y239 V280 V281 V286 F287 I288Y239-S284 WeakPolarHBondContact OH-CB 3.45Å; Y239-S284 PolarHBondContact OH-OG 3.13Å; V280-S284 PolarHBondContact O-N 2.76Å; V281-S284 WeakPolarHBondContact O-CB 3.44Å; V281-S284 PolarHBondContact O-N 3.44Å; S284-V286 VanDerWaalsContact C-N 3.3Å; S284-V286 PolarHBondContact O-N 3.4Å; S284-V286 VanDerWaalsContact OG-CG1 3.31Å; S284-V286 WeakPolarHBondContact OG-CG1 3.46Å; S284-F287 PolarHBondContact O-N 3.46Å; S284-F287 VanDerWaalsContact O-N 3.13Å; S284-I288 WeakPolarHBondContact O-CG1 3.26Å; S284-I288 PolarHBondContact O-N 2.76Å
285S95.3Very high95.9Very high83 Ų8331.9 Ų31.958%0.5818%0.175SC*.Hα-helixtrans-56.9-42.6178.656.80000112.2H283 F287 H289H283-S285 PolarHBondContact O-N 2.84Å; S285-F287 PolarHBondContact O-N 3.41Å; S285-H289 WeakPolarHBondContact O-CB 3.48Å; S285-H289 PolarHBondContact O-N 2.92Å
286V97Very high95.6Very high8 Ų836.3 Ų36.35%0.04819%0.194CC..Hα-helixtrans-66.3-37.2178.261.30000112.3W230 L231 R234 L235 S284 F290 A306W230-V286 HydrophobicContact CH2-CG2 3.72Å; W230-V286 HydrophobicContact CZ3-CG2 4.19Å; L231-V286 HydrophobicContact CD1-CG2 3.94Å; R234-V286 HydrophobicContact CB-CG2 4.35Å; L235-V286 HydrophobicContact CD2-CG1 4.19Å; S284-V286 VanDerWaalsContact C-N 3.3Å; S284-V286 PolarHBondContact O-N 3.4Å; S284-V286 VanDerWaalsContact OG-CG1 3.31Å; S284-V286 WeakPolarHBondContact OG-CG1 3.46Å; V286-F290 WeakPolarHBondContact O-CB 3.39Å; V286-F290 PolarHBondContact O-N 3.25Å; V286-A306 HydrophobicContact CB-CB 3.87Å; V286-A306 HydrophobicContact CG2-CB 3.51Å
287F97.3Very high95.5Very high0 Ų044.2 Ų44.20%023%0.228CC..Hα-helixtrans-71.6-44.9178.3-174-111.4000111.6L188 L231 W271 L272 M275 V281 S284 S285 H289 F290 L291L188-F287 HydrophobicContact CD2-CD1 4.27Å; L188-F287 HydrophobicContact CD2-CE1 3.92Å; L231-F287 HydrophobicContact CD2-CD2 3.93Å; L231-F287 HydrophobicContact CD2-CE2 4.29Å; W271-F287 HydrophobicContact CZ3-CE2 4.43Å; L272-F287 HydrophobicContact CD2-CE2 4.17Å; L272-F287 HydrophobicContact CD2-CZ 4.44Å; M275-F287 HydrophobicContact CB-CD2 4.41Å; M275-F287 HydrophobicContact CB-CE1 4.34Å; M275-F287 HydrophobicContact CB-CE2 3.56Å; M275-F287 HydrophobicContact CB-CZ 3.51Å; M275-F287 HydrophobicContact CG-CE2 4.32Å; V281-F287 HydrophobicContact CG1-CB 4.33Å; V281-F287 HydrophobicContact CG1-CD1 4.41Å; V281-F287 HydrophobicContact CG1-CD2 4.21Å; V281-F287 HydrophobicContact CG1-CG 4.07Å; V281-F287 WeakPolarHBondContact O-CB 3.49Å; V281-F287 WeakPolarHBondContact O-CD1 3.32Å; S284-F287 PolarHBondContact O-N 3.46Å; S284-F287 VanDerWaalsContact O-N 3.13Å; S285-F287 PolarHBondContact O-N 3.41Å; F287-H289 VanDerWaalsContact C-N 3.34Å; F287-H289 PolarHBondContact O-N 3.44Å; F287-F290 WeakPolarHBondContact O-CB 3.38Å; F287-F290 PolarHBondContact O-N 2.97Å; F287-L291 HydrophobicContact CD1-CD1 4.04Å; F287-L291 HydrophobicContact CE1-CD1 3.5Å; F287-L291 HydrophobicContact CE1-CG 4.45Å; F287-L291 HydrophobicContact CE2-CD1 4.42Å; F287-L291 HydrophobicContact CZ-CD1 3.72Å; F287-L291 HydrophobicContact CZ-CG 4.39Å; F287-L291 PolarHBondContact O-N 2.97Å; F287-L291 VanDerWaalsContact O-N 3.11Å
288I95.6Very high95.6Very high68 Ų6844.5 Ų44.535%0.34923%0.229SC..Hα-helixtrans-62-44175.2-67.8170.2000110.2S284 F290 L291 T292S284-I288 WeakPolarHBondContact O-CG1 3.26Å; S284-I288 PolarHBondContact O-N 2.76Å; I288-F290 VanDerWaalsContact C-N 3.3Å; I288-F290 PolarHBondContact O-N 3.35Å; I288-L291 PolarHBondContact O-N 3.39Å; I288-L291 VanDerWaalsContact O-N 3.12Å; I288-T292 HydrophobicContact CG2-CG2 4.13Å; I288-T292 WeakPolarHBondContact O-CB 3.33Å; I288-T292 WeakPolarHBondContact O-CG2 3.44Å; I288-T292 PolarHBondContact O-N 3.23Å; I288-T292 PolarHBondContact O-OG1 2.75Å
289H96.5Very high95.6Very high35 Ų3544.6 Ų44.616%0.16223%0.229CC..Hα-helixtrans-59.2-41.8175.6-177.370.4000111.8S285 F287 L291 T292 C293 K298 W299 G302S285-H289 WeakPolarHBondContact O-CB 3.48Å; S285-H289 PolarHBondContact O-N 2.92Å; F287-H289 VanDerWaalsContact C-N 3.34Å; F287-H289 PolarHBondContact O-N 3.44Å; H289-L291 VanDerWaalsContact C-N 3.32Å; H289-L291 PolarHBondContact O-N 3.41Å; H289-T292 PolarHBondContact O-N 3.34Å; H289-C293 VanDerWaalsContact CE1-CB 3.48Å; H289-C293 WeakPolarHBondContact CE1-CB 3.03Å; H289-C293 PolarHBondContact CE1-SG 3.5Å; H289-C293 WeakPolarHBondContact ND1-CB 3.48Å; H289-C293 WeakPolarHBondContact O-CB 3.42Å; H289-C293 PolarHBondContact O-N 2.9Å; H289-K298 PolarHBondContact CE1-O 3.41Å; H289-K298 VanDerWaalsContact CE1-O 3.23Å; H289-K298 PolarHBondContact NE2-O 3.01Å; H289-W299 AromaticContact CD2-CE3 3.79Å; H289-W299 AromaticContact CD2-CZ3 3.79Å; H289-W299 AromaticContact NE2-CE3 3.58Å; H289-W299 PolarHBondContact NE2-O 2.92Å; H289-G302 WeakPolarHBondContact NE2-CA 3.49Å
290F97.5Very high95.6Very high0 Ų046.3 Ų46.30%024%0.235CC..Hα-helixtrans-56.7-43.5173.5-179.9-88.7000112.7I212 R223 H227 F228 L231 L272 V286 F287 I288 W299I212-F290 HydrophobicContact CD1-CE1 3.64Å; I212-F290 HydrophobicContact CD1-CZ 4.04Å; R223-F290 HydrophobicContact CB-CE2 4.31Å; R223-F290 HydrophobicContact CB-CZ 3.92Å; R223-F290 HydrophobicContact CG-CE1 4.13Å; R223-F290 HydrophobicContact CG-CE2 3.93Å; R223-F290 HydrophobicContact CG-CZ 3.68Å; R223-F290 VanDerWaalsContact CZ-O 3.3Å; R223-F290 PolarHBondContact NE-O 2.87Å; R223-F290 PolarHBondContact NH2-O 3Å; H227-F290 HydrophobicContact CB-CE2 3.9Å; F228-F290 HydrophobicContact CD1-CE1 4.32Å; F228-F290 AromaticContact CD1-CZ 3.83Å; F228-F290 HydrophobicContact CD1-CZ 3.83Å; F228-F290 AromaticContact CD2-CZ 3.99Å; F228-F290 HydrophobicContact CD2-CZ 3.99Å; F228-F290 HydrophobicContact CE1-CE1 4.03Å; F228-F290 AromaticContact CE1-CZ 3.84Å; F228-F290 HydrophobicContact CE1-CZ 3.84Å; F228-F290 AromaticContact CE2-CZ 3.99Å; F228-F290 HydrophobicContact CE2-CZ 3.99Å; F228-F290 AromaticContact CG-CZ 3.92Å; F228-F290 HydrophobicContact CG-CZ 3.92Å; F228-F290 HydrophobicContact CZ-CE1 4.25Å; F228-F290 AromaticContact CZ-CZ 3.94Å; F228-F290 HydrophobicContact CZ-CZ 3.94Å; L231-F290 HydrophobicContact CB-CD2 3.96Å; L231-F290 HydrophobicContact CB-CE2 4.24Å; L231-F290 HydrophobicContact CD1-CB 4.31Å; L231-F290 HydrophobicContact CD2-CB 3.97Å; L231-F290 HydrophobicContact CD2-CD1 3.74Å; L231-F290 HydrophobicContact CD2-CD2 3.75Å; L231-F290 HydrophobicContact CD2-CE1 4.12Å; L231-F290 HydrophobicContact CD2-CE2 4.14Å; L231-F290 HydrophobicContact CD2-CG 3.55Å; L231-F290 HydrophobicContact CD2-CZ 4.32Å; L231-F290 HydrophobicContact CG-CD2 4.34Å; L231-F290 HydrophobicContact CG-CG 4.45Å; L272-F290 HydrophobicContact CD2-CE1 4.2Å; V286-F290 WeakPolarHBondContact O-CB 3.39Å; V286-F290 PolarHBondContact O-N 3.25Å; F287-F290 WeakPolarHBondContact O-CB 3.38Å; F287-F290 PolarHBondContact O-N 2.97Å; I288-F290 VanDerWaalsContact C-N 3.3Å; I288-F290 PolarHBondContact O-N 3.35Å; F290-W299 AromaticContact CD2-CH2 3.82Å; F290-W299 HydrophobicContact CD2-CH2 3.82Å; F290-W299 HydrophobicContact CD2-CZ3 4.45Å
291L96.5Very high95.5Very high1 Ų150.5 Ų50.51%0.00526%0.257CS..Hα-helixtrans-82.5-20.7-176.4-67.1179.4000115.1L188 I212 N214 L272 F287 I288 H289L188-L291 HydrophobicContact CD1-CD1 4.22Å; L188-L291 HydrophobicContact CD2-CD1 4.11Å; L188-L291 HydrophobicContact CG-CD1 4.46Å; I212-L291 HydrophobicContact CG2-CD2 3.87Å; N214-L291 HydrophobicContact CB-CB 4.47Å; N214-L291 PolarHBondContact ND2-O 3.34Å; L272-L291 HydrophobicContact CD2-CD2 4.19Å; F287-L291 HydrophobicContact CD1-CD1 4.04Å; F287-L291 HydrophobicContact CE1-CD1 3.5Å; F287-L291 HydrophobicContact CE1-CG 4.45Å; F287-L291 HydrophobicContact CE2-CD1 4.42Å; F287-L291 HydrophobicContact CZ-CD1 3.72Å; F287-L291 HydrophobicContact CZ-CG 4.39Å; F287-L291 PolarHBondContact O-N 2.97Å; F287-L291 VanDerWaalsContact O-N 3.11Å; I288-L291 PolarHBondContact O-N 3.39Å; I288-L291 VanDerWaalsContact O-N 3.12Å; H289-L291 VanDerWaalsContact C-N 3.32Å; H289-L291 PolarHBondContact O-N 3.41Å
292T95.2Very high95.5Very high42 Ų4250.9 Ų50.926%0.25826%0.26SS..Hα-helixtrans-120.3-23.8-168.261.60000114.5I288 H289 T294I288-T292 HydrophobicContact CG2-CG2 4.13Å; I288-T292 WeakPolarHBondContact O-CB 3.33Å; I288-T292 WeakPolarHBondContact O-CG2 3.44Å; I288-T292 PolarHBondContact O-N 3.23Å; I288-T292 PolarHBondContact O-OG1 2.75Å; H289-T292 PolarHBondContact O-N 3.34Å; T292-T294 PolarHBondContact O-N 2.89Å
293C95.7Very high95.6Very high12 Ų1251.4 Ų51.48%0.08126%0.262CS..  trans-75111.2-174.1-169.30000112.4R223 H289 D295 W299R223-C293 PolarHBondContact NH1-O 3.48Å; R223-C293 PolarHBondContact NH2-O 2.74Å; H289-C293 VanDerWaalsContact CE1-CB 3.48Å; H289-C293 WeakPolarHBondContact CE1-CB 3.03Å; H289-C293 PolarHBondContact CE1-SG 3.5Å; H289-C293 WeakPolarHBondContact ND1-CB 3.48Å; H289-C293 WeakPolarHBondContact O-CB 3.42Å; H289-C293 PolarHBondContact O-N 2.9Å; C293-D295 PolarHBondContact SG-O 3.22Å; C293-W299 HydrophobicContact CB-CE3 4.25Å; C293-W299 PolarHBondContact SG-N 3.04Å
294T94.3Very high95.7Very high101 Ų10154.5 Ų54.562%0.6227%0.271SS*.  trans-95.1-21.8176.452.10000113.5T219 V221 T292T219-T294 HydrophobicContact CG2-CG2 3.39Å; V221-T294 HydrophobicContact CG1-CG2 3.94Å; T292-T294 PolarHBondContact O-N 2.89Å
295D94.3Very high95.7Very high70 Ų7059.9 Ų59.937%0.37430%0.296SS..  trans-84.6127.8-177.6179.8-75.9000111.8C293 K297 K298 W299C293-D295 PolarHBondContact SG-O 3.22Å; D295-K297 PolarHBondContact O-N 2.86Å; D295-K297 WeakPolarHBondContact OD1-CA 3.27Å; D295-K297 WeakPolarHBondContact OD1-CB 3.43Å; D295-K297 PolarHBondContact OD1-N 2.55Å; D295-K298 HydrophobicContact CB-CB 4.06Å; D295-K298 HydrophobicContact CB-CD 4.06Å; D295-K298 HydrophobicContact CB-CG 4.13Å; D295-K298 PolarHBondContact OD1-N 3.23Å; D295-W299 VanDerWaalsContact O-CB 3.25Å; D295-W299 WeakPolarHBondContact O-CB 3.32Å; D295-W299 PolarHBondContact O-N 3.21Å
296F90.4Very high95.8Very high97 Ų9756.6 Ų56.643%0.42527%0.274SS..Hα-helixtrans-66.3-37.7-175.8-178.4-100.9000113.9W299 K300F296-W299 WeakPolarHBondContact O-CB 3.23Å; F296-W299 PolarHBondContact O-N 3.45Å; F296-K300 PolarHBondContact O-N 3.45Å; F296-K300 VanDerWaalsContact O-N 3.15Å
297K93.6Very high95.8Very high173 Ų17359.2 Ų59.275%0.75229%0.285SS*.Hα-helixtrans-70.7-43.9180-68.4-176.3177.4-177.30110.4D295 W299 K300 L301D295-K297 PolarHBondContact O-N 2.86Å; D295-K297 WeakPolarHBondContact OD1-CA 3.27Å; D295-K297 WeakPolarHBondContact OD1-CB 3.43Å; D295-K297 PolarHBondContact OD1-N 2.55Å; K297-W299 VanDerWaalsContact C-N 3.31Å; K297-W299 PolarHBondContact O-N 3.29Å; K297-K300 PolarHBondContact O-N 2.87Å; K297-L301 PolarHBondContact O-N 2.91Å
298K96.2Very high95.7Very high140 Ų14064.4 Ų64.461%0.60932%0.317SS*.Hα-helixtrans-64.7-36.3173.8-65.7-177.2-178.4178.20111.6H289 D295 K300 L301 G302H289-K298 PolarHBondContact CE1-O 3.41Å; H289-K298 VanDerWaalsContact CE1-O 3.23Å; H289-K298 PolarHBondContact NE2-O 3.01Å; D295-K298 HydrophobicContact CB-CB 4.06Å; D295-K298 HydrophobicContact CB-CD 4.06Å; D295-K298 HydrophobicContact CB-CG 4.13Å; D295-K298 PolarHBondContact OD1-N 3.23Å; K298-K300 PolarHBondContact O-N 3.41Å; K298-L301 PolarHBondContact O-N 2.97Å; K298-G302 PolarHBondContact O-N 3.33Å
299W95.7Very high95.7Very high11 Ų1163 Ų634%0.04231%0.31CS..Hα-helixtrans-56.3-50.7174.3173.2-109.4000111.1H227 W230 H289 F290 C293 D295 F296 K297 G302 K303H227-W299 HydrophobicContact CB-CZ2 4.25Å; W230-W299 HydrophobicContact CE3-CH2 4.19Å; W230-W299 HydrophobicContact CE3-CZ2 4.42Å; W230-W299 AromaticContact CZ3-CH2 3.79Å; W230-W299 HydrophobicContact CZ3-CH2 3.79Å; W230-W299 HydrophobicContact CZ3-CZ2 4.35Å; W230-W299 HydrophobicContact CZ3-CZ3 4.48Å; H289-W299 AromaticContact CD2-CE3 3.79Å; H289-W299 AromaticContact CD2-CZ3 3.79Å; H289-W299 AromaticContact NE2-CE3 3.58Å; H289-W299 PolarHBondContact NE2-O 2.92Å; F290-W299 AromaticContact CD2-CH2 3.82Å; F290-W299 HydrophobicContact CD2-CH2 3.82Å; F290-W299 HydrophobicContact CD2-CZ3 4.45Å; C293-W299 HydrophobicContact CB-CE3 4.25Å; C293-W299 PolarHBondContact SG-N 3.04Å; D295-W299 VanDerWaalsContact O-CB 3.25Å; D295-W299 WeakPolarHBondContact O-CB 3.32Å; D295-W299 PolarHBondContact O-N 3.21Å; F296-W299 WeakPolarHBondContact O-CB 3.23Å; F296-W299 PolarHBondContact O-N 3.45Å; K297-W299 VanDerWaalsContact C-N 3.31Å; K297-W299 PolarHBondContact O-N 3.29Å; W299-G302 PolarHBondContact O-N 3.49Å; W299-K303 HydrophobicContact CD2-CG 4.42Å; W299-K303 HydrophobicContact CZ2-CD 4.12Å; W299-K303 HydrophobicContact CZ2-CG 4.13Å; W299-K303 WeakPolarHBondContact O-CG 3.37Å; W299-K303 PolarHBondContact O-N 2.89Å
300K95.3Very high95.5Very high47 Ų4768.8 Ų68.820%0.20434%0.335CS..Hα-helixtrans-62.9-41.3178.3-169.1172.4-173170.90112.6D89 F296 K297 K298 K303 R304D89-K300 HydrophobicContact CB-CD 4.33Å; D89-K300 PolarHBondContact O-NZ 3.17Å; F296-K300 PolarHBondContact O-N 3.45Å; F296-K300 VanDerWaalsContact O-N 3.15Å; K297-K300 PolarHBondContact O-N 2.87Å; K298-K300 PolarHBondContact O-N 3.41Å; K300-K303 PolarHBondContact O-N 2.91Å; K300-R304 WeakPolarHBondContact O-CG 3.26Å; K300-R304 PolarHBondContact O-N 3.29Å
301L96.6Very high95.4Very high97 Ų9769.1 Ų69.151%0.50834%0.337SS..Hα-helixtrans-63.5-51.6176.4-178.962.1000111.5K297 K298 K303 R304 E305K297-L301 PolarHBondContact O-N 2.91Å; K298-L301 PolarHBondContact O-N 2.97Å; L301-K303 VanDerWaalsContact C-N 3.25Å; L301-K303 PolarHBondContact O-N 3.31Å; L301-R304 WeakPolarHBondContact O-CB 3.47Å; L301-R304 PolarHBondContact O-N 3.48Å; L301-E305 WeakPolarHBondContact O-CG 3.41Å; L301-E305 PolarHBondContact O-N 2.83Å
302G97.2Very high95.4Very high7 Ų771 Ų717%0.07235%0.345CS..Hα-helixtrans-66.2-26.5179.700000113.4H289 K298 W299 A306H289-G302 WeakPolarHBondContact NE2-CA 3.49Å; K298-G302 PolarHBondContact O-N 3.33Å; W299-G302 PolarHBondContact O-N 3.49Å; G302-A306 WeakPolarHBondContact O-CB 3.39Å; G302-A306 PolarHBondContact O-N 3.27Å; G302-A306 VanDerWaalsContact O-N 3.1Å
303K97.1Very high95.4Very high18 Ų1869.2 Ų69.28%0.07834%0.335CS..Hα-helixtrans-60.4-52.9167.5-81.2-176.262.5-163.80111D89 W230 W299 K300 L301 E305 A306 E307D89-K303 IonicContact OD2-NZ 2.69Å; D89-K303 PolarHBondContact OD2-NZ 3.2Å; W230-K303 HydrophobicContact CD2-CG 4.37Å; W230-K303 HydrophobicContact CH2-CB 4.25Å; W230-K303 HydrophobicContact CH2-CG 3.76Å; W230-K303 VanDerWaalsContact CZ2-CA 3.48Å; W230-K303 HydrophobicContact CZ2-CB 3.73Å; W230-K303 HydrophobicContact CZ2-CG 3.55Å; W230-K303 HydrophobicContact CZ3-CG 4.24Å; W299-K303 HydrophobicContact CD2-CG 4.42Å; W299-K303 HydrophobicContact CZ2-CD 4.12Å; W299-K303 HydrophobicContact CZ2-CG 4.13Å; W299-K303 WeakPolarHBondContact O-CG 3.37Å; W299-K303 PolarHBondContact O-N 2.89Å; K300-K303 PolarHBondContact O-N 2.91Å; L301-K303 VanDerWaalsContact C-N 3.25Å; L301-K303 PolarHBondContact O-N 3.31Å; K303-E305 VanDerWaalsContact C-N 3.35Å; K303-E305 PolarHBondContact O-N 3.12Å; K303-A306 PolarHBondContact O-N 3.36Å; K303-E307 WeakPolarHBondContact O-CG 3.39Å; K303-E307 PolarHBondContact O-N 3.38Å
304R96.3Very high95.5Very high129 Ų12968.7 Ų68.749%0.48733%0.331SS..Hα-helixtrans-60.5-43.7-179.9-71.6175.4175.7-179.6-5.2111.7K300 L301 A306 E307 T308K300-R304 WeakPolarHBondContact O-CG 3.26Å; K300-R304 PolarHBondContact O-N 3.29Å; L301-R304 WeakPolarHBondContact O-CB 3.47Å; L301-R304 PolarHBondContact O-N 3.48Å; R304-A306 VanDerWaalsContact C-N 3.34Å; R304-A306 PolarHBondContact O-N 3.29Å; R304-E307 WeakPolarHBondContact O-CB 3.39Å; R304-E307 PolarHBondContact O-N 3.25Å; R304-E307 VanDerWaalsContact O-N 3.13Å; R304-T308 PolarHBondContact O-N 2.89Å; R304-T308 PolarHBondContact O-OG1 3.47Å
305E96.8Very high95.6Very high119 Ų11965.2 Ų65.256%0.55631%0.307SS*.Hα-helixtrans-57.5-45.9176.1-71.7172.7173.200111.8L301 K303 E307 T308 D309L301-E305 WeakPolarHBondContact O-CG 3.41Å; L301-E305 PolarHBondContact O-N 2.83Å; K303-E305 VanDerWaalsContact C-N 3.35Å; K303-E305 PolarHBondContact O-N 3.12Å; E305-E307 VanDerWaalsContact C-N 3.34Å; E305-E307 PolarHBondContact O-N 2.98Å; E305-T308 CarbonylContact O-C 3.54Å; E305-T308 PolarHBondContact O-N 2.97Å; E305-T308 PolarHBondContact O-OG1 3.35Å; E305-D309 PolarHBondContact O-N 2.91Å; E305-D309 VanDerWaalsContact O-N 3.09Å
306A96.8Very high95.7Very high14 Ų1461.9 Ų61.912%0.11629%0.289CS..Hα-helixtrans-67-33.7176.100000112.9W230 V286 G302 K303 R304 Q312W230-A306 HydrophobicContact CH2-CB 4.28Å; W230-A306 HydrophobicContact CZ2-CB 4.15Å; V286-A306 HydrophobicContact CB-CB 3.87Å; V286-A306 HydrophobicContact CG2-CB 3.51Å; G302-A306 WeakPolarHBondContact O-CB 3.39Å; G302-A306 PolarHBondContact O-N 3.27Å; G302-A306 VanDerWaalsContact O-N 3.1Å; K303-A306 PolarHBondContact O-N 3.36Å; R304-A306 VanDerWaalsContact C-N 3.34Å; R304-A306 PolarHBondContact O-N 3.29Å; A306-Q312 PolarHBondContact O-NE2 3.41Å
307E97.2Very high96.1Very high63 Ų6357.4 Ų57.429%0.29427%0.269SS..Hα-helixtrans-68.6-35.5176.2-68.5159.1-177.300112.2W230 R234 K303 R304 E305 Q312W230-E307 PolarHBondContact NE1-OE1 2.83Å; R234-E307 VanDerWaalsContact NH1-CG 3.27Å; K303-E307 WeakPolarHBondContact O-CG 3.39Å; K303-E307 PolarHBondContact O-N 3.38Å; R304-E307 WeakPolarHBondContact O-CB 3.39Å; R304-E307 PolarHBondContact O-N 3.25Å; R304-E307 VanDerWaalsContact O-N 3.13Å; E305-E307 VanDerWaalsContact C-N 3.34Å; E305-E307 PolarHBondContact O-N 2.98Å; E307-Q312 PolarHBondContact O-NE2 2.93Å
308T95.6Very high96.2Very high108 Ų10851.5 Ų51.566%0.66324%0.244SC*.THydrogen-bonded Turntrans-97.714.7179.461.20000114.2R304 E305 K310R304-T308 PolarHBondContact O-N 2.89Å; R304-T308 PolarHBondContact O-OG1 3.47Å; E305-T308 CarbonylContact O-C 3.54Å; E305-T308 PolarHBondContact O-N 2.97Å; E305-T308 PolarHBondContact O-OG1 3.35Å; T308-K310 PolarHBondContact O-N 2.97Å
309D94.6Very high96.3Very high38 Ų3844.9 Ų44.920%0.20322%0.216CC..  trans-59.7122.1-179.7-177.8-1.2000111.1K238 E305 L311 Q312K238-D309 IonicContact NZ-OD2 3.76Å; K238-D309 PolarHBondContact NZ-OD2 3.47Å; E305-D309 PolarHBondContact O-N 2.91Å; E305-D309 VanDerWaalsContact O-N 3.09Å; D309-L311 PolarHBondContact O-N 3.34Å; D309-L311 WeakPolarHBondContact OD1-CB 3.38Å; D309-L311 PolarHBondContact OD1-N 3.47Å; D309-Q312 HydrophobicContact CB-CG 4.09Å; D309-Q312 VanDerWaalsContact O-CG 3.28Å; D309-Q312 WeakPolarHBondContact O-CG 3.37Å
310K93.7Very high96.4Very high157 Ų15744.8 Ų44.868%0.68322%0.216SC*.THydrogen-bonded Turntrans-75.2-9.2-179-65.3-171.2176.7-1710113.7T308 R315T308-K310 PolarHBondContact O-N 2.97Å; K310-R315 WeakPolarHBondContact O-CB 3.34Å; K310-R315 WeakPolarHBondContact O-CD 3.22Å; K310-R315 PolarHBondContact O-NE 3.06Å
311L95.5Very high96.4Very high7 Ų745.6 Ų45.64%0.03722%0.221CC..THydrogen-bonded Turntrans-99.324.4177.8-63.2176.3000112.2P163 D309 R315 F316 F318 A319P163-L311 HydrophobicContact CG-CD2 3.69Å; D309-L311 PolarHBondContact O-N 3.34Å; D309-L311 WeakPolarHBondContact OD1-CB 3.38Å; D309-L311 PolarHBondContact OD1-N 3.47Å; L311-R315 WeakPolarHBondContact CD2-O 3.23Å; L311-F316 VanDerWaalsContact O-CA 3.27Å; L311-F316 WeakPolarHBondContact O-CA 3.37Å; L311-F316 WeakPolarHBondContact O-CB 3.48Å; L311-F316 PolarHBondContact O-N 3.32Å; L311-F318 HydrophobicContact CD2-CB 4.13Å; L311-A319 HydrophobicContact CD1-CB 3.88Å
312Q95Very high96.4Very high41 Ų4142.4 Ų42.419%0.19221%0.207CC..  trans-76.1151.9173.9-70.8177.522.300112.6S237 A306 E307 D309 R315S237-Q312 PolarHBondContact OG-OE1 2.86Å; A306-Q312 PolarHBondContact O-NE2 3.41Å; E307-Q312 PolarHBondContact O-NE2 2.93Å; D309-Q312 HydrophobicContact CB-CG 4.09Å; D309-Q312 VanDerWaalsContact O-CG 3.28Å; D309-Q312 WeakPolarHBondContact O-CG 3.37Å; Q312-R315 WeakPolarHBondContact O-CB 3.48Å; Q312-R315 PolarHBondContact O-N 2.99Å
313G96.2Very high96.1Very high4 Ų449.5 Ų49.54%0.04124%0.235CC..G310 helixtrans65.1-139178.400000112.7S237 K238 P240 R315 F316S237-G313 PolarHBondContact O-N 3.3Å; K238-G313 PolarHBondContact O-N 2.99Å; P240-G313 WeakPolarHBondContact CD-O 3.31Å; P240-G313 WeakPolarHBondContact CG-O 3.46Å; G313-R315 PolarHBondContact O-N 3.43Å; G313-F316 WeakPolarHBondContact O-CB 3.35Å; G313-F316 PolarHBondContact O-N 3.16Å; G313-F316 VanDerWaalsContact O-N 3.09Å
314L97.4Very high95.8Very high1 Ų150.3 Ų50.31%0.00524%0.243CC..G310 helixtrans-70-14.7179.5-89.161.4000112.5F144 F148 N151 C153 F156 P240 F316 Y317 L447F144-L314 HydrophobicContact CD1-CD2 4.45Å; F144-L314 HydrophobicContact CE1-CD2 4.35Å; F148-L314 HydrophobicContact CB-CD1 4.15Å; F148-L314 HydrophobicContact CB-CD2 4.12Å; F148-L314 HydrophobicContact CD1-CD1 3.64Å; F148-L314 HydrophobicContact CE1-CD1 4.5Å; F148-L314 HydrophobicContact CG-CD1 4.27Å; N151-L314 PolarHBondContact O-N 2.94Å; C153-L314 VanDerWaalsContact CA-CD2 3.49Å; C153-L314 HydrophobicContact CB-CD2 3.5Å; C153-L314 VanDerWaalsContact SG-CD2 3.55Å; F156-L314 WeakPolarHBondContact CB-O 3.49Å; P240-L314 HydrophobicContact CB-CD1 3.68Å; P240-L314 HydrophobicContact CG-CD1 4.12Å; L314-F316 PolarHBondContact O-N 2.87Å; L314-Y317 HydrophobicContact CB-CD2 4.38Å; L314-Y317 HydrophobicContact CG-CD2 4.27Å; L314-Y317 HydrophobicContact CG-CE2 4.17Å; L314-Y317 WeakPolarHBondContact O-CB 3.42Å; L314-Y317 WeakPolarHBondContact O-CD2 3.35Å; L314-Y317 PolarHBondContact O-N 2.87Å; L314-Y317 VanDerWaalsContact O-N 3.17Å; L314-L447 HydrophobicContact CD1-CD1 4.5Å; L314-L447 HydrophobicContact CD2-CD1 4.25Å
315R96.4Very high95.4Very high29 Ų2946.8 Ų46.811%0.10925%0.247CC..G310 helixtrans-66.4-18.5170.2-59.1-178.660.185.28.7112.4D155 L160 D161 K310 L311 Q312 G313 Y317 F318D155-R315 HydrophobicContact CB-CG 4.25Å; D155-R315 VanDerWaalsContact CB-NH1 3.31Å; D155-R315 IonicContact OD2-CZ 2.63Å; D155-R315 IonicContact OD2-NH1 2.82Å; D155-R315 PolarHBondContact OD2-NH1 3.02Å; L160-R315 PolarHBondContact O-NH1 2.95Å; D161-R315 PolarHBondContact O-NH2 2.9Å; K310-R315 WeakPolarHBondContact O-CB 3.34Å; K310-R315 WeakPolarHBondContact O-CD 3.22Å; K310-R315 PolarHBondContact O-NE 3.06Å; L311-R315 WeakPolarHBondContact CD2-O 3.23Å; Q312-R315 WeakPolarHBondContact O-CB 3.48Å; Q312-R315 PolarHBondContact O-N 2.99Å; G313-R315 PolarHBondContact O-N 3.43Å; R315-Y317 PolarHBondContact O-N 2.86Å; R315-Y317 VanDerWaalsContact O-N 3.15Å; R315-F318 HydrophobicContact CB-CD2 4.11Å; R315-F318 HydrophobicContact CB-CE2 4.42Å; R315-F318 HydrophobicContact CG-CE2 4.39Å; R315-F318 WeakPolarHBondContact O-CB 3.43Å; R315-F318 WeakPolarHBondContact O-CD2 3.43Å; R315-F318 PolarHBondContact O-N 2.9Å; R315-F318 VanDerWaalsContact O-N 3.08Å
316F97.2Very high95.1Very high0 Ų050 Ų500%026%0.262CS..G310 helixtrans-51.7-34.2169.9172.3-117.9000112E169 A170 Y239 V280 L311 G313 L314 F318 A319 V320E169-F316 HydrophobicContact CB-CE2 4.23Å; A170-F316 HydrophobicContact CB-CZ 3.88Å; Y239-F316 HydrophobicContact CD1-CD1 4.22Å; Y239-F316 AromaticContact CD1-CD2 3.93Å; Y239-F316 HydrophobicContact CD1-CD2 3.93Å; Y239-F316 HydrophobicContact CD1-CE1 4.02Å; Y239-F316 AromaticContact CD1-CE2 3.76Å; Y239-F316 HydrophobicContact CD1-CE2 3.76Å; Y239-F316 HydrophobicContact CD1-CG 4.17Å; Y239-F316 AromaticContact CD1-CZ 3.79Å; Y239-F316 HydrophobicContact CD1-CZ 3.79Å; Y239-F316 AromaticContact CE1-CD2 3.88Å; Y239-F316 HydrophobicContact CE1-CD2 3.88Å; Y239-F316 AromaticContact CE1-CE2 3.48Å; Y239-F316 HydrophobicContact CE1-CE2 3.48Å; Y239-F316 VanDerWaalsContact CE1-CE2 3.48Å; Y239-F316 AromaticContact CE1-CZ 3.83Å; Y239-F316 HydrophobicContact CE1-CZ 3.83Å; V280-F316 HydrophobicContact CG1-CZ 4.04Å; L311-F316 VanDerWaalsContact O-CA 3.27Å; L311-F316 WeakPolarHBondContact O-CA 3.37Å; L311-F316 WeakPolarHBondContact O-CB 3.48Å; L311-F316 PolarHBondContact O-N 3.32Å; G313-F316 WeakPolarHBondContact O-CB 3.35Å; G313-F316 PolarHBondContact O-N 3.16Å; G313-F316 VanDerWaalsContact O-N 3.09Å; L314-F316 PolarHBondContact O-N 2.87Å; F316-F318 PolarHBondContact O-N 3.35Å; F316-A319 WeakPolarHBondContact O-CA 3.35Å; F316-A319 WeakPolarHBondContact O-CB 3.26Å; F316-A319 PolarHBondContact O-N 3.07Å; F316-V320 HydrophobicContact CD1-CG2 3.78Å; F316-V320 HydrophobicContact CD2-CG2 4.5Å; F316-V320 HydrophobicContact CE1-CG2 3.38Å; F316-V320 HydrophobicContact CE2-CG2 4.14Å; F316-V320 HydrophobicContact CG-CG2 4.33Å; F316-V320 HydrophobicContact CZ-CG2 3.58Å
317Y97.6Very high94.9Very high2 Ų250.4 Ų50.41%0.00826%0.263CS..G310 helixtrans-67.9-14.8-178.7-69.2-69.3000114.8F156 P240 C241 L314 R315 A319 V320 L482 I483 S486F156-Y317 HydrophobicContact CD1-CD2 4.16Å; F156-Y317 HydrophobicContact CD1-CG 4.24Å; F156-Y317 VanDerWaalsContact CE1-CB 3.5Å; F156-Y317 HydrophobicContact CE1-CD2 4.21Å; F156-Y317 AromaticContact CE1-CG 3.95Å; F156-Y317 HydrophobicContact CE1-CG 3.95Å; F156-Y317 HydrophobicContact CZ-CG 4.13Å; P240-Y317 HydrophobicContact CG-CD2 4.34Å; P240-Y317 HydrophobicContact CG-CE2 3.58Å; C241-Y317 WeakPolarHBondContact CB-OH 3.27Å; L314-Y317 HydrophobicContact CB-CD2 4.38Å; L314-Y317 HydrophobicContact CG-CD2 4.27Å; L314-Y317 HydrophobicContact CG-CE2 4.17Å; L314-Y317 WeakPolarHBondContact O-CB 3.42Å; L314-Y317 WeakPolarHBondContact O-CD2 3.35Å; L314-Y317 PolarHBondContact O-N 2.87Å; L314-Y317 VanDerWaalsContact O-N 3.17Å; R315-Y317 PolarHBondContact O-N 2.86Å; R315-Y317 VanDerWaalsContact O-N 3.15Å; Y317-A319 PolarHBondContact O-N 3.33Å; Y317-V320 HydrophobicContact CD1-CB 4.26Å; Y317-V320 HydrophobicContact CD1-CG2 4.02Å; Y317-V320 PolarHBondContact O-N 2.76Å; Y317-L482 HydrophobicContact CD1-CD2 4.3Å; Y317-L482 HydrophobicContact CD1-CG 4.19Å; Y317-L482 WeakPolarHBondContact O-CD2 3.38Å; Y317-I483 HydrophobicContact CD1-CG1 4.42Å; Y317-I483 HydrophobicContact CD2-CG1 3.89Å; Y317-I483 HydrophobicContact CE1-CG1 4.15Å; Y317-I483 HydrophobicContact CE2-CD1 4.44Å; Y317-I483 HydrophobicContact CE2-CG1 3.6Å; Y317-I483 HydrophobicContact CG-CG1 4.29Å; Y317-S486 VanDerWaalsContact CE1-OG 3.23Å; Y317-S486 WeakPolarHBondContact CE1-OG 3.1Å; Y317-S486 PolarHBondContact OH-OG 2.86Å
318F97Very high94.6Very high49 Ų4952.5 Ų52.522%0.21528%0.283CS..G310 helixtrans-64.3-20.9166.3-71.8-61.4000112.9D155 F156 P162 P163 L311 R315 F316D155-F318 VanDerWaalsContact O-CZ 3.31Å; D155-F318 WeakPolarHBondContact O-CZ 3.5Å; F156-F318 HydrophobicContact CB-CE2 4.33Å; F156-F318 HydrophobicContact CB-CZ 4.44Å; F156-F318 HydrophobicContact CD2-CD1 4.05Å; F156-F318 HydrophobicContact CD2-CD2 4.49Å; F156-F318 HydrophobicContact CD2-CE1 4.13Å; F156-F318 HydrophobicContact CD2-CG 4.25Å; F156-F318 HydrophobicContact CD2-CZ 4.42Å; P162-F318 HydrophobicContact CB-CD1 4.08Å; P162-F318 HydrophobicContact CB-CE1 3.82Å; P162-F318 HydrophobicContact CB-CZ 4.28Å; P163-F318 HydrophobicContact CG-CB 4.03Å; L311-F318 HydrophobicContact CD2-CB 4.13Å; R315-F318 HydrophobicContact CB-CD2 4.11Å; R315-F318 HydrophobicContact CB-CE2 4.42Å; R315-F318 HydrophobicContact CG-CE2 4.39Å; R315-F318 WeakPolarHBondContact O-CB 3.43Å; R315-F318 WeakPolarHBondContact O-CD2 3.43Å; R315-F318 PolarHBondContact O-N 2.9Å; R315-F318 VanDerWaalsContact O-N 3.08Å; F316-F318 PolarHBondContact O-N 3.35Å
319A97.2Very high94.4Very high2 Ų250.9 Ų50.92%0.01727%0.267CS..G310 helixtrans-106.110.3179.900000113.2Q167 E169 A170 L311 F316 Y317Q167-A319 VanDerWaalsContact O-CA 3.22Å; Q167-A319 WeakPolarHBondContact O-CA 3.4Å; Q167-A319 WeakPolarHBondContact O-CB 3.26Å; E169-A319 HydrophobicContact CB-CB 3.94Å; E169-A319 HydrophobicContact CG-CB 3.93Å; E169-A319 PolarHBondContact N-O 3.44Å; A170-A319 PolarHBondContact N-O 3.12Å; A170-A319 VanDerWaalsContact N-O 3.13Å; L311-A319 HydrophobicContact CD1-CB 3.88Å; F316-A319 WeakPolarHBondContact O-CA 3.35Å; F316-A319 WeakPolarHBondContact O-CB 3.26Å; F316-A319 PolarHBondContact O-N 3.07Å; Y317-A319 PolarHBondContact O-N 3.33Å
320V97.6Very high94.4Very high8 Ų850.1 Ų50.15%0.04826%0.263CS..EExtended strand (participates in β ladder)trans-108.4133.4177.8-174.40000109.3A170 I172 W181 F316 Y317 L482A170-V320 HydrophobicContact CB-CG2 4.28Å; A170-V320 WeakPolarHBondContact O-CA 3.38Å; I172-V320 HydrophobicContact CD1-CG1 3.67Å; I172-V320 HydrophobicContact CG1-CG1 4.18Å; W181-V320 HydrophobicContact CZ3-CG1 4.16Å; F316-V320 HydrophobicContact CD1-CG2 3.78Å; F316-V320 HydrophobicContact CD2-CG2 4.5Å; F316-V320 HydrophobicContact CE1-CG2 3.38Å; F316-V320 HydrophobicContact CE2-CG2 4.14Å; F316-V320 HydrophobicContact CG-CG2 4.33Å; F316-V320 HydrophobicContact CZ-CG2 3.58Å; Y317-V320 HydrophobicContact CD1-CB 4.26Å; Y317-V320 HydrophobicContact CD1-CG2 4.02Å; Y317-V320 PolarHBondContact O-N 2.76Å; V320-L482 HydrophobicContact CB-CD1 4.46Å; V320-L482 HydrophobicContact CB-CD2 4.09Å; V320-L482 HydrophobicContact CB-CG 4.37Å; V320-L482 HydrophobicContact CG1-CD1 3.94Å; V320-L482 HydrophobicContact CG1-CD2 4.45Å; V320-L482 HydrophobicContact CG1-CG 4.22Å; V320-L482 WeakPolarHBondContact O-CD2 3.39Å
321E96.5Very high94.3Very high65 Ų6544.5 Ų44.530%0.30424%0.238SC..EExtended strand (participates in β ladder)trans-119.7140.6175.5-76.2178.9-149.700112T168 A170 N171 I172 K323T168-E321 HydrophobicContact CG2-CB 4.05Å; T168-E321 HydrophobicContact CG2-CG 3.83Å; T168-E321 PolarHBondContact OG1-OE1 3.27Å; A170-E321 PolarHBondContact O-N 2.96Å; N171-E321 CarbonylContact C-O 3.55Å; N171-E321 WeakPolarHBondContact CA-O 3.3Å; I172-E321 PolarHBondContact N-O 2.88Å; E321-K323 WeakPolarHBondContact OE2-CE 3.39Å
322S96Very high94.2Very high30 Ų3047.4 Ų47.421%0.2126%0.256CS..EExtended strand (participates in β ladder)trans-131.4116.3166.7-175.80000108.6I172 R485I172-S322 PolarHBondContact O-OG 2.68Å; S322-R485 PolarHBondContact OG-NH1 2.78Å; S322-R485 VanDerWaalsContact OG-NH1 3.09Å
323K91.5Very high94.2Very high156 Ų15646.4 Ų46.468%0.67825%0.253SS*.  trans-90.7-2.2-176.4-65.3-176.7179179.20113.4E321E321-K323 WeakPolarHBondContact OE2-CE 3.39Å
324S89.1Confident94.1Very high34 Ų3453 Ų5324%0.23828%0.283CS..  trans-74.7136.2179.5-53.70000110.6Y174 R485Y174-S324 WeakPolarHBondContact CB-OG 3.41Å; Y174-S324 PolarHBondContact N-OG 3.18Å; S324-R485 PolarHBondContact O-NH1 3.41Å
325G89.9Confident94Very high56 Ų5656.5 Ų56.558%0.57730%0.297SS*.  trans-63.7-175.4166.600000111.8T327 R485G325-T327 WeakPolarHBondContact O-CG2 3.32Å; G325-R485 PolarHBondContact O-NH2 2.9Å
326Q90.5Very high94Very high186 Ų18655.2 Ų55.287%0.86929%0.293SS*.  trans-59140.8172.1-71.7-177.8-12.200110.6D330Q326-D330 WeakPolarHBondContact CA-OD2 3.16Å
327T91.9Very high94Very high22 Ų2259.2 Ų59.214%0.13531%0.312CS..  trans-129.2153.7-178.577.20000110.6Y174 F179 G325 H329 D330Y174-T327 HydrophobicContact CD1-CG2 4.22Å; Y174-T327 HydrophobicContact CD2-CG2 4.1Å; Y174-T327 HydrophobicContact CE1-CG2 4.3Å; Y174-T327 HydrophobicContact CE2-CG2 4.16Å; Y174-T327 HydrophobicContact CG-CG2 4.11Å; F179-T327 HydrophobicContact CZ-CG2 4.02Å; F179-T327 WeakPolarHBondContact CZ-OG1 3.19Å; G325-T327 WeakPolarHBondContact O-CG2 3.32Å; T327-H329 PolarHBondContact O-N 3.43Å; T327-H329 PolarHBondContact OG1-N 3.37Å; T327-D330 PolarHBondContact N-OD2 3.45Å; T327-D330 PolarHBondContact O-N 2.87Å; T327-D330 PolarHBondContact OG1-N 2.9Å; T327-D330 PolarHBondContact OG1-OD1 3.14Å
328P90Very high93.9Very high108 Ų10863.3 Ų63.370%0.70134%0.337SS*.THydrogen-bonded Turntrans-60.8-13.2171.5-22.333.8000113.8K335P328-K335 PolarHBondContact O-NZ 3.48Å
329H91.9Very high93.8Very high73 Ų7361.7 Ų61.734%0.33833%0.333SS..THydrogen-bonded Turntrans-99.7-2.5-176.5-62.8-94000113.2Y174 F179 T327 Q488Y174-H329 HydrophobicContact CE2-CB 4.04Å; Y174-H329 AromaticContact CZ-CD2 3.89Å; Y174-H329 PolarHBondContact OH-CD2 3.37Å; Y174-H329 PolarHBondContact OH-NE2 3.24Å; F179-H329 HydrophobicContact CE2-CB 4.29Å; T327-H329 PolarHBondContact O-N 3.43Å; T327-H329 PolarHBondContact OG1-N 3.37Å; H329-Q488 PolarHBondContact O-NE2 3.24Å
330D94Very high93.8Very high22 Ų2264.4 Ų64.412%0.11835%0.345CS..SBendtrans-56.7143169.9-68.1-38.1000109.4F179 Q326 T327 T332 K335 L481 R485F179-D330 WeakPolarHBondContact CZ-OD1 3.45Å; Q326-D330 WeakPolarHBondContact CA-OD2 3.16Å; T327-D330 PolarHBondContact N-OD2 3.45Å; T327-D330 PolarHBondContact O-N 2.87Å; T327-D330 PolarHBondContact OG1-N 2.9Å; T327-D330 PolarHBondContact OG1-OD1 3.14Å; D330-T332 PolarHBondContact O-N 3.45Å; D330-K335 PolarHBondContact O-NZ 2.91Å; D330-L481 HydrophobicContact CB-CD1 4Å; D330-L481 WeakPolarHBondContact OD1-CD1 3.49Å; D330-R485 IonicContact OD1-CZ 2.86Å; D330-R485 IonicContact OD1-NE 3.94Å; D330-R485 PolarHBondContact OD1-NE 3.21Å; D330-R485 IonicContact OD1-NH2 3.02Å; D330-R485 PolarHBondContact OD1-NH2 2.93Å; D330-R485 IonicContact OD2-NH2 2.94Å; D330-R485 PolarHBondContact OD2-NH2 3.44Å; D330-R485 VanDerWaalsContact OD2-NH2 3.09Å
331Y92Very high93.8Very high40 Ų4067.4 Ų67.416%0.15737%0.366CS..PPolyproline II helixtrans-67128.9-178.6-881.4000111.6K335 A336 A339 A448 T484 Q488Y331-K335 HydrophobicContact CD1-CB 4.02Å; Y331-K335 HydrophobicContact CE1-CB 4.47Å; Y331-A336 HydrophobicContact CD2-CB 3.99Å; Y331-A336 HydrophobicContact CE2-CB 4.34Å; Y331-A339 VanDerWaalsContact OH-CB 3.23Å; Y331-A339 WeakPolarHBondContact OH-CB 3.5Å; Y331-A448 HydrophobicContact CD2-CB 3.92Å; Y331-A448 HydrophobicContact CE2-CB 3.84Å; Y331-T484 HydrophobicContact CD2-CG2 4.1Å; Y331-Q488 HydrophobicContact CD1-CG 3.7Å; Y331-Q488 VanDerWaalsContact CD1-NE2 3.33Å; Y331-Q488 HydrophobicContact CD2-CG 4.24Å; Y331-Q488 HydrophobicContact CE1-CG 3.33Å; Y331-Q488 HydrophobicContact CE2-CG 3.89Å; Y331-Q488 HydrophobicContact CG-CG 4.16Å; Y331-Q488 VanDerWaalsContact CZ-CG 3.42Å
332T92.6Very high93.9Very high67 Ų6768.8 Ų68.841%0.41137%0.372SS..PPolyproline II helixtrans-93.1168155.361.20000108.6D330 E334 K335 A336D330-T332 PolarHBondContact O-N 3.45Å; T332-E334 VanDerWaalsContact C-N 3.27Å; T332-E334 PolarHBondContact O-N 2.87Å; T332-K335 PolarHBondContact O-N 2.91Å; T332-K335 WeakPolarHBondContact OG1-CG 3.21Å; T332-K335 PolarHBondContact OG1-N 3.5Å; T332-A336 PolarHBondContact O-N 2.96Å
333V95Very high94Very high21 Ų2167.5 Ų67.513%0.12736%0.362CS..Hα-helixtrans-53.7-46.9172.1174.80000110.8K335 A336 E337 C452 L453 D456V333-K335 PolarHBondContact O-N 2.87Å; V333-A336 WeakPolarHBondContact O-CB 3.43Å; V333-A336 PolarHBondContact O-N 3.43Å; V333-A336 VanDerWaalsContact O-N 3.14Å; V333-E337 HydrophobicContact CG1-CG 4.36Å; V333-E337 WeakPolarHBondContact O-CG 3.3Å; V333-E337 PolarHBondContact O-N 3.06Å; V333-C452 HydrophobicContact CB-CB 4.42Å; V333-C452 HydrophobicContact CG2-CB 3.59Å; V333-L453 HydrophobicContact CG1-CD2 3.96Å; V333-L453 HydrophobicContact CG2-CD2 3.99Å; V333-L453 HydrophobicContact CG2-CG 4.29Å; V333-D456 WeakPolarHBondContact CG2-OD2 3.25Å
334E95.8Very high94.3Very high143 Ų14362.5 Ų62.567%0.66835%0.35SS*.Hα-helixtrans-56.9-43.8178-176.7-173.3-179.700112.9T332 E337 T338T332-E334 VanDerWaalsContact C-N 3.27Å; T332-E334 PolarHBondContact O-N 2.87Å; E334-E337 PolarHBondContact O-N 3.28Å; E334-T338 WeakPolarHBondContact O-CB 3.46Å; E334-T338 PolarHBondContact O-N 3.28Å; E334-T338 PolarHBondContact O-OG1 3.35Å
335K94.5Very high94.8Very high73 Ų7364.9 Ų64.932%0.31736%0.36SS..Hα-helixtrans-67.8-38.4177.4-73.3179.1-175.4173.70112.3P328 D330 Y331 T332 V333 E337 T338 A339P328-K335 PolarHBondContact O-NZ 3.48Å; D330-K335 PolarHBondContact O-NZ 2.91Å; Y331-K335 HydrophobicContact CD1-CB 4.02Å; Y331-K335 HydrophobicContact CE1-CB 4.47Å; T332-K335 PolarHBondContact O-N 2.91Å; T332-K335 WeakPolarHBondContact OG1-CG 3.21Å; T332-K335 PolarHBondContact OG1-N 3.5Å; V333-K335 PolarHBondContact O-N 2.87Å; K335-E337 VanDerWaalsContact C-N 3.34Å; K335-T338 PolarHBondContact O-N 3.08Å; K335-A339 WeakPolarHBondContact O-CB 3.22Å; K335-A339 PolarHBondContact O-N 3.01Å
336A95.7Very high95.2Very high2 Ų263.4 Ų63.42%0.01734%0.339CS..Hα-helixtrans-63.7-42.2176.100000110.9Y331 T332 V333 A339 E340 K449Y331-A336 HydrophobicContact CD2-CB 3.99Å; Y331-A336 HydrophobicContact CE2-CB 4.34Å; T332-A336 PolarHBondContact O-N 2.96Å; V333-A336 WeakPolarHBondContact O-CB 3.43Å; V333-A336 PolarHBondContact O-N 3.43Å; V333-A336 VanDerWaalsContact O-N 3.14Å; A336-A339 PolarHBondContact O-N 3.49Å; A336-E340 WeakPolarHBondContact O-CB 3.5Å; A336-E340 PolarHBondContact O-N 3.07Å; A336-K449 HydrophobicContact CB-CB 4.41Å
337E96.7Very high95.5Very high84 Ų8456.5 Ų56.539%0.39331%0.308SS..Hα-helixtrans-65.7-40.7175.2-68.9-174.4142.900112.5V333 E334 K335 A339 E340 S341 K449V333-E337 HydrophobicContact CG1-CG 4.36Å; V333-E337 WeakPolarHBondContact O-CG 3.3Å; V333-E337 PolarHBondContact O-N 3.06Å; E334-E337 PolarHBondContact O-N 3.28Å; K335-E337 VanDerWaalsContact C-N 3.34Å; E337-A339 VanDerWaalsContact C-N 3.34Å; E337-E340 PolarHBondContact O-N 2.78Å; E337-S341 PolarHBondContact O-N 3.47Å; E337-K449 HydrophobicContact CG-CD 4.15Å; E337-K449 WeakPolarHBondContact OE1-CE 3.48Å; E337-K449 IonicContact OE1-NZ 2.68Å; E337-K449 PolarHBondContact OE1-NZ 3.41Å
338T96.4Very high95.9Very high88 Ų8864 Ų6454%0.5433%0.334SS..Hα-helixtrans-63.1-42.3175-580000111.2E334 K335 S341 F342E334-T338 WeakPolarHBondContact O-CB 3.46Å; E334-T338 PolarHBondContact O-N 3.28Å; E334-T338 PolarHBondContact O-OG1 3.35Å; K335-T338 PolarHBondContact O-N 3.08Å; T338-S341 PolarHBondContact O-N 3.29Å; T338-F342 WeakPolarHBondContact O-CB 3.29Å; T338-F342 PolarHBondContact O-N 2.77Å
339A95.9Very high96.3Very high15 Ų1562.2 Ų62.212%0.12432%0.324CS..Hα-helixtrans-66.4-40.9176.700000112.3Y331 K335 A336 E337 F342 L343Y331-A339 VanDerWaalsContact OH-CB 3.23Å; Y331-A339 WeakPolarHBondContact OH-CB 3.5Å; K335-A339 WeakPolarHBondContact O-CB 3.22Å; K335-A339 PolarHBondContact O-N 3.01Å; A336-A339 PolarHBondContact O-N 3.49Å; E337-A339 VanDerWaalsContact C-N 3.34Å; A339-F342 PolarHBondContact O-N 2.8Å; A339-L343 WeakPolarHBondContact O-CB 3.29Å; A339-L343 WeakPolarHBondContact O-CG 3.3Å; A339-L343 PolarHBondContact O-N 3.08Å
340E96.9Very high96.6Very high60 Ų6058.8 Ų58.828%0.2831%0.308SS..Hα-helixtrans-58.3-49.4173.6-178.2178.2-155.900111A336 E337 L343 A344 K449A336-E340 WeakPolarHBondContact O-CB 3.5Å; A336-E340 PolarHBondContact O-N 3.07Å; E337-E340 PolarHBondContact O-N 2.78Å; E340-L343 PolarHBondContact O-N 3.21Å; E340-A344 WeakPolarHBondContact O-CB 3.43Å; E340-A344 PolarHBondContact O-N 2.96Å; E340-K449 WeakPolarHBondContact OE2-CD 3.39Å; E340-K449 IonicContact OE2-NZ 2.84Å; E340-K449 PolarHBondContact OE2-NZ 2.69Å
341S97.9Very high96.8Very high70 Ų7062.5 Ų62.549%0.4932%0.323SS..Hα-helixtrans-61.4-46.8176.9-170.50000112.1E337 T338 L343 A344 D345E337-S341 PolarHBondContact O-N 3.47Å; T338-S341 PolarHBondContact O-N 3.29Å; S341-L343 PolarHBondContact O-N 3.45Å; S341-A344 PolarHBondContact O-N 3.21Å; S341-D345 PolarHBondContact O-N 3.33Å
342F97.8Very high97.1Very high95 Ų9567.3 Ų67.342%0.41735%0.345SS..Hα-helixtrans-57.8-46.5178.5160.1-108.9000112.1T338 A339 D345 L346 M495T338-F342 WeakPolarHBondContact O-CB 3.29Å; T338-F342 PolarHBondContact O-N 2.77Å; A339-F342 PolarHBondContact O-N 2.8Å; F342-D345 PolarHBondContact O-N 2.7Å; F342-L346 HydrophobicContact CE1-CD2 4.43Å; F342-L346 HydrophobicContact CZ-CD2 4.04Å; F342-L346 WeakPolarHBondContact O-CB 3.43Å; F342-L346 PolarHBondContact O-N 3.02Å; F342-M495 HydrophobicContact CE1-CG 4.38Å; F342-M495 HydrophobicContact CE1-SD 4.11Å; F342-M495 HydrophobicContact CZ-CE 4.08Å; F342-M495 HydrophobicContact CZ-CG 4.41Å; F342-M495 HydrophobicContact CZ-SD 3.68Å
343L98Very high97.4Very high2 Ų267.2 Ų67.21%0.0134%0.342CS..Hα-helixtrans-70.2-34-178-74.4163.2000112.1A339 E340 S341 L346 D347 T441 T445A339-L343 WeakPolarHBondContact O-CB 3.29Å; A339-L343 WeakPolarHBondContact O-CG 3.3Å; A339-L343 PolarHBondContact O-N 3.08Å; E340-L343 PolarHBondContact O-N 3.21Å; S341-L343 PolarHBondContact O-N 3.45Å; L343-L346 HydrophobicContact CD2-CD2 4.27Å; L343-L346 PolarHBondContact O-N 3.16Å; L343-D347 WeakPolarHBondContact O-CB 3.44Å; L343-D347 PolarHBondContact O-N 3.04Å; L343-T441 HydrophobicContact CD2-CG2 4.25Å; L343-T445 HydrophobicContact CD1-CG2 3.4Å; L343-T445 VanDerWaalsContact CD1-CG2 3.4Å
344A98Very high97.5Very high52 Ų5266.7 Ų66.743%0.4334%0.339SS..Hα-helixtrans-64-41172.200000112.3E340 S341 R348E340-A344 WeakPolarHBondContact O-CB 3.43Å; E340-A344 PolarHBondContact O-N 2.96Å; S341-A344 PolarHBondContact O-N 3.21Å; A344-R348 PolarHBondContact O-N 3.32Å; A344-R348 VanDerWaalsContact O-N 3.12Å
345D98.5Very high97.7Very high84 Ų8464.9 Ų64.945%0.44933%0.331SS..Hα-helixtrans-69-38.5175.7-74.1-24.4000112.1S341 F342 S349S341-D345 PolarHBondContact O-N 3.33Å; F342-D345 PolarHBondContact O-N 2.7Å; D345-S349 VanDerWaalsContact O-CB 3.23Å; D345-S349 WeakPolarHBondContact O-CB 3.45Å; D345-S349 PolarHBondContact O-N 2.81Å; D345-S349 PolarHBondContact O-OG 3.2Å
346L98.2Very high97.9Very high25 Ų2564.6 Ų64.613%0.13134%0.335CS..Hα-helixtrans-63-45175.1-178.362.7000111.5F342 L343 S349 T350 L438 M495 I498F342-L346 HydrophobicContact CE1-CD2 4.43Å; F342-L346 HydrophobicContact CZ-CD2 4.04Å; F342-L346 WeakPolarHBondContact O-CB 3.43Å; F342-L346 PolarHBondContact O-N 3.02Å; L343-L346 HydrophobicContact CD2-CD2 4.27Å; L343-L346 PolarHBondContact O-N 3.16Å; L346-S349 PolarHBondContact O-N 3.49Å; L346-T350 VanDerWaalsContact O-CB 3.26Å; L346-T350 WeakPolarHBondContact O-CB 3.36Å; L346-T350 PolarHBondContact O-N 2.92Å; L346-T350 PolarHBondContact O-OG1 3.45Å; L346-L438 HydrophobicContact CD2-CD2 3.92Å; L346-L438 HydrophobicContact CG-CD1 4.1Å; L346-L438 HydrophobicContact CG-CD2 4.27Å; L346-M495 HydrophobicContact CD2-SD 3.62Å; L346-I498 HydrophobicContact CD2-CD1 3.92Å
347D98.3Very high98Very high40 Ų4065.3 Ų65.321%0.21434%0.339CS..Hα-helixtrans-57.6-54.8175.3178.644.7000111.3L343 S349 T350 K351 L438 P439L343-D347 WeakPolarHBondContact O-CB 3.44Å; L343-D347 PolarHBondContact O-N 3.04Å; D347-S349 VanDerWaalsContact C-N 3.32Å; D347-S349 PolarHBondContact O-N 3.45Å; D347-T350 PolarHBondContact O-N 3.33Å; D347-K351 WeakPolarHBondContact O-CB 3.5Å; D347-K351 PolarHBondContact O-N 2.96Å; D347-L438 HydrophobicContact CB-CB 3.97Å; D347-P439 WeakPolarHBondContact OD1-CD 3.02Å
348R98.6Very high98Very high179 Ų17963.4 Ų63.468%0.67533%0.333SS*.Hα-helixtrans-57.2-45.2178.8176.1178.9-91.2118.6-4.3111.9A344 F352A344-R348 PolarHBondContact O-N 3.32Å; A344-R348 VanDerWaalsContact O-N 3.12Å; R348-F352 WeakPolarHBondContact O-CB 3.41Å; R348-F352 PolarHBondContact O-N 2.95Å
349S98.6Very high98Very high72 Ų7262.3 Ų62.350%0.50332%0.322SS..Hα-helixtrans-69.6-38.5-177.6-59.20000112.1D345 L346 D347 F352 L353D345-S349 VanDerWaalsContact O-CB 3.23Å; D345-S349 WeakPolarHBondContact O-CB 3.45Å; D345-S349 PolarHBondContact O-N 2.81Å; D345-S349 PolarHBondContact O-OG 3.2Å; L346-S349 PolarHBondContact O-N 3.49Å; D347-S349 VanDerWaalsContact C-N 3.32Å; D347-S349 PolarHBondContact O-N 3.45Å; S349-F352 PolarHBondContact O-N 3.06Å; S349-L353 WeakPolarHBondContact O-CB 3.31Å; S349-L353 PolarHBondContact O-N 3.45Å
350T98.4Very high98Very high1 Ų165.6 Ų65.61%0.00633%0.332CS..Hα-helixtrans-64.2-45.7176.4-58.40000110.8L346 D347 F352 L353 C354 F434 L438 W502L346-T350 VanDerWaalsContact O-CB 3.26Å; L346-T350 WeakPolarHBondContact O-CB 3.36Å; L346-T350 PolarHBondContact O-N 2.92Å; L346-T350 PolarHBondContact O-OG1 3.45Å; D347-T350 PolarHBondContact O-N 3.33Å; T350-F352 PolarHBondContact O-N 3.25Å; T350-L353 PolarHBondContact O-N 3.45Å; T350-C354 WeakPolarHBondContact O-CB 3.48Å; T350-C354 PolarHBondContact O-N 3.03Å; T350-F434 HydrophobicContact CG2-CB 3.92Å; T350-L438 HydrophobicContact CG2-CD1 3.85Å; T350-L438 VanDerWaalsContact OG1-CD1 3.22Å; T350-L438 WeakPolarHBondContact OG1-CD1 3.47Å; T350-W502 HydrophobicContact CG2-CH2 3.93Å; T350-W502 HydrophobicContact CG2-CZ2 3.8Å; T350-W502 WeakPolarHBondContact OG1-CH2 3.47Å
351K98.4Very high98Very high99 Ų9964 Ų6443%0.4332%0.324SS..Hα-helixtrans-58.8-48.6175.6-179.3174177.2176.10111.3D347 L353 C354 E355 T435D347-K351 WeakPolarHBondContact O-CB 3.5Å; D347-K351 PolarHBondContact O-N 2.96Å; K351-L353 PolarHBondContact O-N 2.98Å; K351-C354 WeakPolarHBondContact O-CB 3.45Å; K351-C354 PolarHBondContact O-N 3.31Å; K351-E355 WeakPolarHBondContact CE-OE1 3.31Å; K351-E355 HydrophobicContact CG-CG 4.44Å; K351-E355 IonicContact NZ-OE1 2.75Å; K351-E355 WeakPolarHBondContact O-CB 3.18Å; K351-E355 WeakPolarHBondContact O-CG 3.34Å; K351-E355 PolarHBondContact O-N 3.06Å; K351-T435 HydrophobicContact CB-CG2 4.01Å; K351-T435 HydrophobicContact CG-CG2 4.01Å
352F98.7Very high97.8Very high141 Ų14165.8 Ų65.862%0.61832%0.32SS*.Hα-helixtrans-61.6-42.5178.8-178.6-111.2000112.4R348 S349 T350 T356R348-F352 WeakPolarHBondContact O-CB 3.41Å; R348-F352 PolarHBondContact O-N 2.95Å; S349-F352 PolarHBondContact O-N 3.06Å; T350-F352 PolarHBondContact O-N 3.25Å; F352-T356 VanDerWaalsContact O-CB 3.26Å; F352-T356 WeakPolarHBondContact O-CB 3.48Å; F352-T356 PolarHBondContact O-N 2.93Å; F352-T356 PolarHBondContact O-OG1 3.17Å
353L98.5Very high97.7Very high66 Ų6666.3 Ų66.335%0.34632%0.323SS..Hα-helixtrans-61-47.4174.7176.661000111.3S349 T350 K351 T356 V357 L431 W502S349-L353 WeakPolarHBondContact O-CB 3.31Å; S349-L353 PolarHBondContact O-N 3.45Å; T350-L353 PolarHBondContact O-N 3.45Å; K351-L353 PolarHBondContact O-N 2.98Å; L353-T356 PolarHBondContact O-N 3.03Å; L353-V357 HydrophobicContact CD1-CG2 3.94Å; L353-V357 WeakPolarHBondContact O-CB 3.25Å; L353-V357 VanDerWaalsContact O-CG2 3.32Å; L353-V357 WeakPolarHBondContact O-CG2 3.37Å; L353-V357 PolarHBondContact O-N 2.98Å; L353-L431 HydrophobicContact CD2-CD1 4.48Å; L353-L431 HydrophobicContact CD2-CD2 3.75Å; L353-L431 HydrophobicContact CG-CD1 4.13Å; L353-L431 HydrophobicContact CG-CD2 4.13Å; L353-W502 HydrophobicContact CD2-CZ3 4.48Å
354C98.5Very high97.5Very high10 Ų1067.3 Ų67.37%0.06833%0.328CS..Hα-helixtrans-57.4-54.1178.2-173.40000111.4T350 K351 T356 V357 V358 L431T350-C354 WeakPolarHBondContact O-CB 3.48Å; T350-C354 PolarHBondContact O-N 3.03Å; K351-C354 WeakPolarHBondContact O-CB 3.45Å; K351-C354 PolarHBondContact O-N 3.31Å; C354-T356 VanDerWaalsContact C-N 3.32Å; C354-T356 PolarHBondContact O-N 3.44Å; C354-V357 PolarHBondContact O-N 2.85Å; C354-V358 WeakPolarHBondContact O-CB 3.43Å; C354-V358 VanDerWaalsContact O-CG2 3.25Å; C354-V358 WeakPolarHBondContact O-CG2 3.31Å; C354-V358 PolarHBondContact O-N 2.88Å; C354-L431 HydrophobicContact CB-CB 3.83Å
355E98.4Very high97.3Very high105 Ų10566.9 Ų66.949%0.49132%0.322SS..Hα-helixtrans-59.6-43-179.6-71.8174.1174.100111.4K351 V358 E359K351-E355 WeakPolarHBondContact CE-OE1 3.31Å; K351-E355 HydrophobicContact CG-CG 4.44Å; K351-E355 IonicContact NZ-OE1 2.75Å; K351-E355 WeakPolarHBondContact O-CB 3.18Å; K351-E355 WeakPolarHBondContact O-CG 3.34Å; K351-E355 PolarHBondContact O-N 3.06Å; E355-V358 PolarHBondContact O-N 3.41Å; E355-E359 WeakPolarHBondContact O-CB 3.47Å; E355-E359 PolarHBondContact O-N 2.97Å
356T98.6Very high97.1Very high67 Ų6765.9 Ų65.941%0.41132%0.315SS..Hα-helixtrans-63.9-47.5179.4-60.70000111.9F352 L353 C354 Y360F352-T356 VanDerWaalsContact O-CB 3.26Å; F352-T356 WeakPolarHBondContact O-CB 3.48Å; F352-T356 PolarHBondContact O-N 2.93Å; F352-T356 PolarHBondContact O-OG1 3.17Å; L353-T356 PolarHBondContact O-N 3.03Å; C354-T356 VanDerWaalsContact C-N 3.32Å; C354-T356 PolarHBondContact O-N 3.44Å; T356-Y360 WeakPolarHBondContact O-CB 3.44Å; T356-Y360 PolarHBondContact O-N 2.81Å
357V97.6Very high97Very high17 Ų1767.9 Ų67.910%0.10333%0.329CS..Hα-helixtrans-65.6-43.5179.5171.80000110.9L353 C354 H361 Q428 L431L353-V357 HydrophobicContact CD1-CG2 3.94Å; L353-V357 WeakPolarHBondContact O-CB 3.25Å; L353-V357 VanDerWaalsContact O-CG2 3.32Å; L353-V357 WeakPolarHBondContact O-CG2 3.37Å; L353-V357 PolarHBondContact O-N 2.98Å; C354-V357 PolarHBondContact O-N 2.85Å; V357-H361 PolarHBondContact O-CD2 2.78Å; V357-H361 VanDerWaalsContact O-CD2 3.29Å; V357-H361 PolarHBondContact O-N 3.18Å; V357-H361 VanDerWaalsContact O-N 3.16Å; V357-Q428 HydrophobicContact CG1-CG 4.01Å; V357-L431 HydrophobicContact CB-CD1 4.34Å; V357-L431 HydrophobicContact CG2-CD1 4.28Å
358V96.7Very high96.9Very high43 Ų4368.1 Ų68.126%0.26133%0.332SS..Hα-helixtrans-62.7-48.2178.3169.40000110.8C354 E355 H361 R362 Q428C354-V358 WeakPolarHBondContact O-CB 3.43Å; C354-V358 VanDerWaalsContact O-CG2 3.25Å; C354-V358 WeakPolarHBondContact O-CG2 3.31Å; C354-V358 PolarHBondContact O-N 2.88Å; E355-V358 PolarHBondContact O-N 3.41Å; V358-H361 PolarHBondContact O-N 3.48Å; V358-R362 WeakPolarHBondContact O-CB 3.46Å; V358-R362 PolarHBondContact O-N 3.44Å; V358-Q428 HydrophobicContact CG2-CB 4.34Å; V358-Q428 HydrophobicContact CG2-CG 4.01Å
359E96.9Very high96.8Very high66 Ų6664.2 Ų64.231%0.30832%0.317SS..Hα-helixtrans-66.4-39.8-179.2176.858-16700112.3E355 R362 K363E355-E359 WeakPolarHBondContact O-CB 3.47Å; E355-E359 PolarHBondContact O-N 2.97Å; E359-R362 VanDerWaalsContact CD-NH2 3.34Å; E359-R362 PolarHBondContact O-N 2.89Å; E359-R362 IonicContact OE1-CZ 3.54Å; E359-R362 IonicContact OE1-NE 3.31Å; E359-R362 IonicContact OE1-NH2 3.38Å; E359-R362 PolarHBondContact OE1-NH2 2.75Å; E359-R362 IonicContact OE2-CZ 2.85Å; E359-R362 IonicContact OE2-NE 2.68Å; E359-R362 PolarHBondContact OE2-NE 3.31Å; E359-R362 IonicContact OE2-NH2 3.33Å; E359-R362 PolarHBondContact OE2-NH2 3.47Å; E359-K363 WeakPolarHBondContact O-CG 3.46Å; E359-K363 PolarHBondContact O-N 2.83Å; E359-K363 WeakPolarHBondContact OE1-CE 3.41Å; E359-K363 IonicContact OE1-NZ 3.21Å
360Y96.6Very high96.8Very high84 Ų8466.5 Ų66.533%0.32932%0.318SS..Hα-helixtrans-57.5-50.6175.6170.9-103.6000111.6T356 R362 K363 L364 Y517T356-Y360 WeakPolarHBondContact O-CB 3.44Å; T356-Y360 PolarHBondContact O-N 2.81Å; Y360-R362 PolarHBondContact O-N 2.89Å; Y360-K363 PolarHBondContact O-N 3.34Å; Y360-L364 HydrophobicContact CD1-CD1 4.11Å; Y360-L364 HydrophobicContact CE1-CD1 3.45Å; Y360-L364 VanDerWaalsContact CE1-CD1 3.45Å; Y360-L364 HydrophobicContact CE1-CG 4.29Å; Y360-L364 HydrophobicContact CE2-CD1 4.28Å; Y360-L364 HydrophobicContact CE2-CG 4.39Å; Y360-L364 PolarHBondContact O-N 3.41Å; Y360-Y517 PolarHBondContact OH-OH 3.02Å
361H95.9Very high96.7Very high25 Ų2570.6 Ų70.612%0.11634%0.337CS..Hα-helixtrans-67.8-34.7178.9-83.4-69.8000113.1V357 V358 K363 L364 S365 T424 Y509V357-H361 PolarHBondContact O-CD2 2.78Å; V357-H361 VanDerWaalsContact O-CD2 3.29Å; V357-H361 PolarHBondContact O-N 3.18Å; V357-H361 VanDerWaalsContact O-N 3.16Å; V358-H361 PolarHBondContact O-N 3.48Å; H361-K363 VanDerWaalsContact C-N 3.32Å; H361-K363 PolarHBondContact O-N 3.15Å; H361-L364 PolarHBondContact O-N 3.45Å; H361-S365 PolarHBondContact O-N 2.93Å; H361-S365 PolarHBondContact O-OG 2.83Å; H361-T424 HydrophobicContact CB-CG2 4.44Å; H361-Y509 AromaticContact CE1-CE2 3.95Å; H361-Y509 AromaticContact NE2-CE2 3.28Å; H361-Y509 VanDerWaalsContact NE2-CE2 3.28Å; H361-Y509 WeakPolarHBondContact NE2-CE2 3.44Å; H361-Y509 AromaticContact NE2-CZ 3.58Å; H361-Y509 PolarHBondContact NE2-OH 3.26Å
362R94.7Very high96.7Very high108 Ų10867.6 Ų67.641%0.40832%0.324SS..Hα-helixtrans-60.4-42.4172.1-168.7-166.268.774.40.7111.4V358 E359 Y360 I366V358-R362 WeakPolarHBondContact O-CB 3.46Å; V358-R362 PolarHBondContact O-N 3.44Å; E359-R362 VanDerWaalsContact CD-NH2 3.34Å; E359-R362 PolarHBondContact O-N 2.89Å; E359-R362 IonicContact OE1-CZ 3.54Å; E359-R362 IonicContact OE1-NE 3.31Å; E359-R362 IonicContact OE1-NH2 3.38Å; E359-R362 PolarHBondContact OE1-NH2 2.75Å; E359-R362 IonicContact OE2-CZ 2.85Å; E359-R362 IonicContact OE2-NE 2.68Å; E359-R362 PolarHBondContact OE2-NE 3.31Å; E359-R362 IonicContact OE2-NH2 3.33Å; E359-R362 PolarHBondContact OE2-NH2 3.47Å; Y360-R362 PolarHBondContact O-N 2.89Å; R362-I366 HydrophobicContact CG-CD1 3.78Å; R362-I366 HydrophobicContact CG-CG1 4.48Å; R362-I366 VanDerWaalsContact O-CB 3.32Å; R362-I366 WeakPolarHBondContact O-CB 3.46Å; R362-I366 WeakPolarHBondContact O-CG1 3.35Å; R362-I366 PolarHBondContact O-N 3.07Å
363K95.9Very high96.7Very high107 Ų10763.6 Ų63.647%0.46531%0.313SS..Iπ-helixtrans-65.1-40.8175.5-72.2-178.1-171.1179.40111.7E359 Y360 H361 T367 T368E359-K363 WeakPolarHBondContact O-CG 3.46Å; E359-K363 PolarHBondContact O-N 2.83Å; E359-K363 WeakPolarHBondContact OE1-CE 3.41Å; E359-K363 IonicContact OE1-NZ 3.21Å; Y360-K363 PolarHBondContact O-N 3.34Å; H361-K363 VanDerWaalsContact C-N 3.32Å; H361-K363 PolarHBondContact O-N 3.15Å; K363-T367 WeakPolarHBondContact O-CA 3.32Å; K363-T367 VanDerWaalsContact O-CB 3.26Å; K363-T367 WeakPolarHBondContact O-CB 3.34Å; K363-T367 PolarHBondContact O-N 2.87Å; K363-T368 PolarHBondContact O-N 3.48Å; K363-T368 PolarHBondContact O-OG1 3.49Å
364L94.2Very high96.7Very high22 Ų2266.3 Ų66.312%0.11532%0.323CS..Iπ-helixtrans-61.7-50.9176-70.1-178.7000112Y360 H361 T368 R369Y360-L364 HydrophobicContact CD1-CD1 4.11Å; Y360-L364 HydrophobicContact CE1-CD1 3.45Å; Y360-L364 VanDerWaalsContact CE1-CD1 3.45Å; Y360-L364 HydrophobicContact CE1-CG 4.29Å; Y360-L364 HydrophobicContact CE2-CD1 4.28Å; Y360-L364 HydrophobicContact CE2-CG 4.39Å; Y360-L364 PolarHBondContact O-N 3.41Å; H361-L364 PolarHBondContact O-N 3.45Å; L364-T368 WeakPolarHBondContact O-CB 3.43Å; L364-R369 PolarHBondContact O-N 3.49Å
365S94Very high96.7Very high44 Ų4469.4 Ų69.431%0.30834%0.338SS..Iπ-helixtrans-75-27-173.773.70000113.9H361 R369 H417H361-S365 PolarHBondContact O-N 2.93Å; H361-S365 PolarHBondContact O-OG 2.83Å; S365-R369 WeakPolarHBondContact O-CB 3.3Å; S365-R369 VanDerWaalsContact O-CD 3.32Å; S365-R369 WeakPolarHBondContact O-CD 3.15Å; S365-R369 PolarHBondContact O-NE 3.43Å; S365-H417 VanDerWaalsContact CA-O 3.29Å; S365-H417 WeakPolarHBondContact CA-O 3.44Å
366I94.3Very high96.7Very high62 Ų6264.6 Ų64.632%0.31832%0.316SS..Iπ-helixtrans-102.2-60.5-178.8-56.1-178.4000111.2R362 K370R362-I366 HydrophobicContact CG-CD1 3.78Å; R362-I366 HydrophobicContact CG-CG1 4.48Å; R362-I366 VanDerWaalsContact O-CB 3.32Å; R362-I366 WeakPolarHBondContact O-CB 3.46Å; R362-I366 WeakPolarHBondContact O-CG1 3.35Å; R362-I366 PolarHBondContact O-N 3.07Å; I366-K370 WeakPolarHBondContact O-CB 3.17Å; I366-K370 WeakPolarHBondContact O-CG 3.42Å; I366-K370 PolarHBondContact O-N 3.03Å
367T95.8Very high96.7Very high68 Ų6866 Ų6642%0.41732%0.319SS..Iπ-helixtrans-75.9-56.4-170.6-54.20000111K363 R369 K370 E371K363-T367 WeakPolarHBondContact O-CA 3.32Å; K363-T367 VanDerWaalsContact O-CB 3.26Å; K363-T367 WeakPolarHBondContact O-CB 3.34Å; K363-T367 PolarHBondContact O-N 2.87Å; T367-R369 VanDerWaalsContact C-N 3.33Å; T367-R369 PolarHBondContact O-N 3.43Å; T367-K370 WeakPolarHBondContact O-CB 3.16Å; T367-K370 PolarHBondContact O-N 2.91Å; T367-K370 VanDerWaalsContact O-N 3.08Å; T367-E371 PolarHBondContact O-N 3.04Å; T367-E371 VanDerWaalsContact O-N 3.1Å
368T96.3Very high96.8Very high44 Ų4467.9 Ų67.927%0.2734%0.337SS..Iπ-helixtrans-62.7-41.1-177.3-53.40000111.4K363 L364 K370 E371 F372K363-T368 PolarHBondContact O-N 3.48Å; K363-T368 PolarHBondContact O-OG1 3.49Å; L364-T368 WeakPolarHBondContact O-CB 3.43Å; T368-K370 PolarHBondContact O-N 3.32Å; T368-E371 PolarHBondContact O-N 2.92Å; T368-F372 HydrophobicContact CG2-CD2 3.8Å; T368-F372 HydrophobicContact CG2-CE2 3.65Å; T368-F372 WeakPolarHBondContact O-CD2 3.49Å; T368-F372 PolarHBondContact O-N 2.9Å
369R96.4Very high96.8Very high98 Ų9868.8 Ų68.837%0.3734%0.337SS..Hα-helixtrans-50.8-51.3170179.3174.768.61442.8112.6L364 S365 T367 E371 F372 S373 S414 H417L364-R369 PolarHBondContact O-N 3.49Å; S365-R369 WeakPolarHBondContact O-CB 3.3Å; S365-R369 VanDerWaalsContact O-CD 3.32Å; S365-R369 WeakPolarHBondContact O-CD 3.15Å; S365-R369 PolarHBondContact O-NE 3.43Å; T367-R369 VanDerWaalsContact C-N 3.33Å; T367-R369 PolarHBondContact O-N 3.43Å; R369-E371 VanDerWaalsContact C-N 3.3Å; R369-E371 PolarHBondContact O-N 3.41Å; R369-F372 PolarHBondContact O-N 3.31Å; R369-S373 PolarHBondContact O-N 3.44Å; R369-S414 WeakPolarHBondContact CG-O 3.4Å; R369-S414 WeakPolarHBondContact CG-OG 3.36Å; R369-S414 PolarHBondContact O-OG 3.34Å; R369-H417 HydrophobicContact CB-CB 4Å
370K97.4Very high96.9Very high119 Ų11967.7 Ų67.752%0.51733%0.333SS..Hα-helixtrans-62-37.4-179.8-77.7175.4-179.7-175.60112I366 T367 T368 S373 K374I366-K370 WeakPolarHBondContact O-CB 3.17Å; I366-K370 WeakPolarHBondContact O-CG 3.42Å; I366-K370 PolarHBondContact O-N 3.03Å; T367-K370 WeakPolarHBondContact O-CB 3.16Å; T367-K370 PolarHBondContact O-N 2.91Å; T367-K370 VanDerWaalsContact O-N 3.08Å; T368-K370 PolarHBondContact O-N 3.32Å; K370-S373 PolarHBondContact O-N 3.07Å; K370-K374 WeakPolarHBondContact O-CG 3.36Å; K370-K374 PolarHBondContact O-N 2.76Å
371E97.9Very high97Very high88 Ų8868.1 Ų68.141%0.41134%0.341SS..Hα-helixtrans-68.1-41.8177.1-63.3-50128.900112.4T367 T368 R369 S373 K374 L375T367-E371 PolarHBondContact O-N 3.04Å; T367-E371 VanDerWaalsContact O-N 3.1Å; T368-E371 PolarHBondContact O-N 2.92Å; R369-E371 VanDerWaalsContact C-N 3.3Å; R369-E371 PolarHBondContact O-N 3.41Å; E371-S373 VanDerWaalsContact C-N 3.32Å; E371-S373 PolarHBondContact O-N 3.04Å; E371-K374 WeakPolarHBondContact O-CB 3.4Å; E371-K374 PolarHBondContact O-N 2.95Å; E371-K374 IonicContact OE1-NZ 2.75Å; E371-K374 PolarHBondContact OE1-NZ 3.47Å; E371-K374 IonicContact OE2-NZ 3.57Å; E371-L375 PolarHBondContact O-N 2.86Å
372F98.1Very high97.1Very high35 Ų3572 Ų7215%0.15436%0.361CS..Hα-helixtrans-64.7-35.7173.2-83.4-68.8000113T368 R369 K374 L375 S376 F410 V413 H417T368-F372 HydrophobicContact CG2-CD2 3.8Å; T368-F372 HydrophobicContact CG2-CE2 3.65Å; T368-F372 WeakPolarHBondContact O-CD2 3.49Å; T368-F372 PolarHBondContact O-N 2.9Å; R369-F372 PolarHBondContact O-N 3.31Å; F372-K374 VanDerWaalsContact C-N 3.35Å; F372-L375 HydrophobicContact CD1-CD1 4.08Å; F372-L375 HydrophobicContact CE1-CD1 4.34Å; F372-L375 PolarHBondContact O-N 3.32Å; F372-S376 WeakPolarHBondContact O-CB 3.32Å; F372-S376 PolarHBondContact O-N 3.47Å; F372-F410 HydrophobicContact CD1-CB 4.29Å; F372-F410 AromaticContact CD1-CD1 3.69Å; F372-F410 HydrophobicContact CD1-CD1 3.69Å; F372-F410 HydrophobicContact CD1-CE1 4.4Å; F372-F410 HydrophobicContact CD1-CG 4.24Å; F372-F410 AromaticContact CE1-CD1 3.78Å; F372-F410 HydrophobicContact CE1-CD1 3.78Å; F372-F410 HydrophobicContact CE1-CE1 4.07Å; F372-V413 HydrophobicContact CD1-CB 4.12Å; F372-V413 HydrophobicContact CD1-CG1 3.72Å; F372-V413 HydrophobicContact CD2-CG1 3.74Å; F372-V413 HydrophobicContact CE1-CB 4.34Å; F372-V413 HydrophobicContact CE1-CG1 3.65Å; F372-V413 HydrophobicContact CE2-CG1 3.66Å; F372-V413 HydrophobicContact CG-CB 4.34Å; F372-V413 HydrophobicContact CG-CG1 3.77Å; F372-V413 HydrophobicContact CZ-CG1 3.62Å; F372-H417 AromaticContact CD2-CD2 3.65Å; F372-H417 AromaticContact CD2-NE2 3.74Å; F372-H417 AromaticContact CE2-CD2 3.82Å; F372-H417 AromaticContact CE2-NE2 3.4Å; F372-H417 WeakPolarHBondContact CE2-NE2 3.44Å
373S98Very high97.3Very high57 Ų5767 Ų6740%0.39934%0.342SS..Hα-helixtrans-61.9-41.7172.4179.30000111.9R369 K370 E371 S376 M377R369-S373 PolarHBondContact O-N 3.44Å; K370-S373 PolarHBondContact O-N 3.07Å; E371-S373 VanDerWaalsContact C-N 3.32Å; E371-S373 PolarHBondContact O-N 3.04Å; S373-S376 WeakPolarHBondContact O-CB 3.34Å; S373-S376 PolarHBondContact O-N 3.3Å; S373-M377 WeakPolarHBondContact O-CG 3.15Å; S373-M377 PolarHBondContact O-N 2.63Å; S373-M377 VanDerWaalsContact O-N 3.12Å
374K98.5Very high97.3Very high124 Ų12469.2 Ų69.254%0.53935%0.352SS..Hα-helixtrans-64.8-43.9174-69.8171.5-174.21680112.3K370 E371 F372 S376 M377 A378K370-K374 WeakPolarHBondContact O-CG 3.36Å; K370-K374 PolarHBondContact O-N 2.76Å; E371-K374 WeakPolarHBondContact O-CB 3.4Å; E371-K374 PolarHBondContact O-N 2.95Å; E371-K374 IonicContact OE1-NZ 2.75Å; E371-K374 PolarHBondContact OE1-NZ 3.47Å; E371-K374 IonicContact OE2-NZ 3.57Å; F372-K374 VanDerWaalsContact C-N 3.35Å; K374-S376 VanDerWaalsContact C-N 3.33Å; K374-S376 PolarHBondContact O-N 3.39Å; K374-M377 PolarHBondContact O-N 2.96Å; K374-A378 PolarHBondContact O-N 3.1Å
375L98.3Very high97.5Very high75 Ų7570.8 Ų70.839%0.39337%0.368SS..Hα-helixtrans-58-47.2175.7-76173.2000111E371 F372 M377 A378 F379 F410E371-L375 PolarHBondContact O-N 2.86Å; F372-L375 HydrophobicContact CD1-CD1 4.08Å; F372-L375 HydrophobicContact CE1-CD1 4.34Å; F372-L375 PolarHBondContact O-N 3.32Å; L375-M377 VanDerWaalsContact C-N 3.35Å; L375-M377 PolarHBondContact O-N 3.47Å; L375-A378 WeakPolarHBondContact O-CB 3.36Å; L375-A378 PolarHBondContact O-N 3.3Å; L375-A378 VanDerWaalsContact O-N 3.15Å; L375-F379 WeakPolarHBondContact O-CD2 3.36Å; L375-F379 PolarHBondContact O-N 3.31Å; L375-F379 VanDerWaalsContact O-N 3.12Å; L375-F410 HydrophobicContact CB-CB 4.29Å; L375-F410 HydrophobicContact CB-CD2 3.86Å; L375-F410 HydrophobicContact CB-CE2 4.44Å; L375-F410 HydrophobicContact CB-CG 4.16Å
376S98.6Very high97.6Very high4 Ų470 Ų703%0.02836%0.36CS..Hα-helixtrans-51.9-53175176.40000111.9F372 S373 K374 A378 F379 L380 G407 R411F372-S376 WeakPolarHBondContact O-CB 3.32Å; F372-S376 PolarHBondContact O-N 3.47Å; S373-S376 WeakPolarHBondContact O-CB 3.34Å; S373-S376 PolarHBondContact O-N 3.3Å; K374-S376 VanDerWaalsContact C-N 3.33Å; K374-S376 PolarHBondContact O-N 3.39Å; S376-A378 VanDerWaalsContact C-N 3.31Å; S376-A378 PolarHBondContact O-N 3.29Å; S376-F379 PolarHBondContact O-N 2.94Å; S376-L380 VanDerWaalsContact O-CG 3.31Å; S376-L380 WeakPolarHBondContact O-CG 3.35Å; S376-L380 PolarHBondContact O-N 3.16Å; S376-G407 VanDerWaalsContact CB-O 3.26Å; S376-G407 WeakPolarHBondContact CB-O 3.42Å; S376-G407 PolarHBondContact OG-O 3Å; S376-R411 WeakPolarHBondContact OG-CB 3.44Å
377M98.7Very high97.7Very high96 Ų9672.1 Ų72.147%0.47337%0.368SS..Hα-helixtrans-61.4-37.7179.5-69.4-56.4-58.300112.6S373 K374 L375 L380 N381S373-M377 WeakPolarHBondContact O-CG 3.15Å; S373-M377 PolarHBondContact O-N 2.63Å; S373-M377 VanDerWaalsContact O-N 3.12Å; K374-M377 PolarHBondContact O-N 2.96Å; L375-M377 VanDerWaalsContact C-N 3.35Å; L375-M377 PolarHBondContact O-N 3.47Å; M377-L380 PolarHBondContact O-N 3.28Å; M377-N381 VanDerWaalsContact O-CB 3.25Å; M377-N381 WeakPolarHBondContact O-CB 3.42Å; M377-N381 PolarHBondContact O-N 3.2Å; M377-N381 PolarHBondContact O-ND2 2.95Å
378A98.7Very high97.6Very high57 Ų5773 Ų7347%0.47138%0.377SS..Hα-helixtrans-62.5-47.4178.700000112K374 L375 S376 N381 M382K374-A378 PolarHBondContact O-N 3.1Å; L375-A378 WeakPolarHBondContact O-CB 3.36Å; L375-A378 PolarHBondContact O-N 3.3Å; L375-A378 VanDerWaalsContact O-N 3.15Å; S376-A378 VanDerWaalsContact C-N 3.31Å; S376-A378 PolarHBondContact O-N 3.29Å; A378-N381 PolarHBondContact O-N 3.2Å; A378-M382 PolarHBondContact O-N 3.11Å
379F98.5Very high97.6Very high62 Ų6272.5 Ų72.527%0.27237%0.373SS..Hα-helixtrans-65.9-41.8177.9-85.5-87.5000112.6L375 S376 M382 S383 L403 T406 F410L375-F379 WeakPolarHBondContact O-CD2 3.36Å; L375-F379 PolarHBondContact O-N 3.31Å; L375-F379 VanDerWaalsContact O-N 3.12Å; S376-F379 PolarHBondContact O-N 2.94Å; F379-M382 PolarHBondContact O-N 2.97Å; F379-S383 WeakPolarHBondContact O-CB 3.34Å; F379-S383 PolarHBondContact O-N 3.05Å; F379-L403 HydrophobicContact CD1-CD2 3.6Å; F379-L403 HydrophobicContact CE1-CD2 3.87Å; F379-T406 HydrophobicContact CD1-CG2 3.59Å; F379-T406 HydrophobicContact CD2-CG2 4.07Å; F379-T406 HydrophobicContact CE1-CG2 3.61Å; F379-T406 HydrophobicContact CE2-CG2 4.1Å; F379-T406 HydrophobicContact CG-CG2 3.84Å; F379-T406 HydrophobicContact CZ-CG2 3.86Å; F379-F410 AromaticContact CD2-CD2 3.9Å; F379-F410 HydrophobicContact CD2-CD2 3.9Å; F379-F410 AromaticContact CD2-CE2 3.83Å; F379-F410 HydrophobicContact CD2-CE2 3.83Å; F379-F410 HydrophobicContact CE2-CD2 4.09Å; F379-F410 AromaticContact CE2-CE2 3.55Å; F379-F410 HydrophobicContact CE2-CE2 3.55Å; F379-F410 HydrophobicContact CZ-CE2 4.23Å
380L98.6Very high97.4Very high43 Ų4373.8 Ų73.823%0.22539%0.391CS..Hα-helixtrans-64.9-41.2176.9-67.5173.7000111.9S376 M377 S383 K384 T404S376-L380 VanDerWaalsContact O-CG 3.31Å; S376-L380 WeakPolarHBondContact O-CG 3.35Å; S376-L380 PolarHBondContact O-N 3.16Å; M377-L380 PolarHBondContact O-N 3.28Å; L380-S383 PolarHBondContact O-N 2.82Å; L380-K384 WeakPolarHBondContact O-CB 3.31Å; L380-K384 PolarHBondContact O-N 2.8Å; L380-T404 HydrophobicContact CD2-CG2 4.27Å
381N98.5Very high97.3Very high93 Ų9376 Ų7650%0.49740%0.403SS..Hα-helixtrans-64.4-40.6175.8-74.2-17.5000111.7M377 A378 K384 A385M377-N381 VanDerWaalsContact O-CB 3.25Å; M377-N381 WeakPolarHBondContact O-CB 3.42Å; M377-N381 PolarHBondContact O-N 3.2Å; M377-N381 PolarHBondContact O-ND2 2.95Å; A378-N381 PolarHBondContact O-N 3.2Å; N381-K384 PolarHBondContact O-N 3.04Å; N381-A385 WeakPolarHBondContact O-CB 3.41Å; N381-A385 PolarHBondContact O-N 3.47Å
382M98.1Very high97Very high107 Ų10775.1 Ų75.153%0.52740%0.404SS..Hα-helixtrans-64.1-45.3176.1-171.765176.900111.7A378 F379 K384 A385 I386 L403A378-M382 PolarHBondContact O-N 3.11Å; F379-M382 PolarHBondContact O-N 2.97Å; M382-K384 VanDerWaalsContact C-N 3.33Å; M382-K384 PolarHBondContact O-N 3.21Å; M382-A385 PolarHBondContact O-N 3.26Å; M382-I386 HydrophobicContact CE-CD1 3.96Å; M382-I386 HydrophobicContact CE-CG1 4.28Å; M382-I386 HydrophobicContact CG-CD1 4Å; M382-I386 WeakPolarHBondContact O-CG1 3.42Å; M382-I386 PolarHBondContact O-N 2.93Å; M382-L403 HydrophobicContact CG-CD1 4.03Å
383S97.8Very high96.8Very high2 Ų278.7 Ų78.71%0.01442%0.42CS..Hα-helixtrans-56.2-48.6175.4-175.20000111.4F379 L380 A385 I386 E387 C400 T404F379-S383 WeakPolarHBondContact O-CB 3.34Å; F379-S383 PolarHBondContact O-N 3.05Å; L380-S383 PolarHBondContact O-N 2.82Å; S383-A385 VanDerWaalsContact C-N 3.32Å; S383-A385 PolarHBondContact O-N 2.73Å; S383-I386 PolarHBondContact O-N 2.82Å; S383-E387 WeakPolarHBondContact O-CB 3.13Å; S383-E387 PolarHBondContact O-N 2.9Å; S383-C400 PolarHBondContact OG-O 3.22Å; S383-T404 WeakPolarHBondContact CB-OG1 3.13Å; S383-T404 PolarHBondContact OG-OG1 3.43Å
384K97.5Very high96.5Very high153 Ų15384.4 Ų84.467%0.66544%0.44SS*.Hα-helixtrans-60.6-39177-174.8178-179.7179.20112.8L380 N381 M382 S388L380-K384 WeakPolarHBondContact O-CB 3.31Å; L380-K384 PolarHBondContact O-N 2.8Å; N381-K384 PolarHBondContact O-N 3.04Å; M382-K384 VanDerWaalsContact C-N 3.33Å; M382-K384 PolarHBondContact O-N 3.21Å; K384-S388 PolarHBondContact O-N 2.97Å
385A97.3Very high96.2Very high55 Ų5585.1 Ų85.146%0.45545%0.449SS..Hα-helixtrans-65.7-45.617700000111.5N381 M382 S383 E387 S388N381-A385 WeakPolarHBondContact O-CB 3.41Å; N381-A385 PolarHBondContact O-N 3.47Å; M382-A385 PolarHBondContact O-N 3.26Å; S383-A385 VanDerWaalsContact C-N 3.32Å; S383-A385 PolarHBondContact O-N 2.73Å; A385-E387 VanDerWaalsContact C-N 3.33Å; A385-E387 PolarHBondContact O-N 3.31Å; A385-S388 WeakPolarHBondContact O-CB 3.35Å; A385-S388 PolarHBondContact O-N 2.94Å; A385-S388 PolarHBondContact O-OG 2.86Å
386I96.7Very high96.1Very high28 Ų2883.3 Ų83.314%0.14444%0.44CS..Hα-helixtrans-66.1-36.1178.1-64.9164.2000111.4M382 S383 S388 D389 N396 L399 C400 L403M382-I386 HydrophobicContact CE-CD1 3.96Å; M382-I386 HydrophobicContact CE-CG1 4.28Å; M382-I386 HydrophobicContact CG-CD1 4Å; M382-I386 WeakPolarHBondContact O-CG1 3.42Å; M382-I386 PolarHBondContact O-N 2.93Å; S383-I386 PolarHBondContact O-N 2.82Å; I386-S388 PolarHBondContact O-N 3.33Å; I386-D389 WeakPolarHBondContact O-CB 3.49Å; I386-D389 PolarHBondContact O-N 2.83Å; I386-N396 HydrophobicContact CG2-CB 3.56Å; I386-L399 HydrophobicContact CD1-CD2 3.84Å; I386-L399 HydrophobicContact CD1-CG 4.16Å; I386-C400 WeakPolarHBondContact CG2-SG 3.46Å; I386-L403 HydrophobicContact CD1-CD1 3.37Å
387E95.1Very high95.8Very high106 Ų10687.6 Ų87.650%0.49547%0.466SS..Hα-helixtrans-63.2-21.4176.9-171.7175-163.200113.4S383 A385 D389 K393S383-E387 WeakPolarHBondContact O-CB 3.13Å; S383-E387 PolarHBondContact O-N 2.9Å; A385-E387 VanDerWaalsContact C-N 3.33Å; A385-E387 PolarHBondContact O-N 3.31Å; E387-D389 VanDerWaalsContact C-N 3.29Å; E387-K393 VanDerWaalsContact O-CE 3.27Å; E387-K393 WeakPolarHBondContact O-CE 3.39Å; E387-K393 PolarHBondContact O-NZ 3.42Å; E387-K393 VanDerWaalsContact O-NZ 3.12Å
388S94.5Very high95.6Very high86 Ų8687.6 Ų87.660%0.60146%0.463SS*.THydrogen-bonded Turntrans-82.10.5174.477.20000114.4K384 A385 I386 V390K384-S388 PolarHBondContact O-N 2.97Å; A385-S388 WeakPolarHBondContact O-CB 3.35Å; A385-S388 PolarHBondContact O-N 2.94Å; A385-S388 PolarHBondContact O-OG 2.86Å; I386-S388 PolarHBondContact O-N 3.33Å; S388-V390 PolarHBondContact O-N 2.97Å
389D95.4Very high95.4Very high35 Ų3588.2 Ų88.219%0.18746%0.458CS..  trans-56.1127.817317915.7000110.9I386 E387 H391 T392 K393 N396I386-D389 WeakPolarHBondContact O-CB 3.49Å; I386-D389 PolarHBondContact O-N 2.83Å; E387-D389 VanDerWaalsContact C-N 3.29Å; D389-H391 PolarHBondContact OD1-N 3.17Å; D389-T392 PolarHBondContact OD1-N 3.22Å; D389-T392 VanDerWaalsContact OD2-CA 3.26Å; D389-T392 WeakPolarHBondContact OD2-CA 3.46Å; D389-T392 WeakPolarHBondContact OD2-CB 3.37Å; D389-T392 PolarHBondContact OD2-N 3.25Å; D389-T392 PolarHBondContact OD2-OG1 3.37Å; D389-K393 WeakPolarHBondContact O-CB 3.43Å; D389-K393 PolarHBondContact OD2-N 3.14Å; D389-N396 PolarHBondContact OD2-ND2 3.05Å
390V93.6Very high95.3Very high124 Ų12486 Ų8675%0.75245%0.45SS*.SBendtrans-98.5-12.8179.4-63.10000113S388S388-V390 PolarHBondContact O-N 2.97Å
391H94.2Very high95.2Very high166 Ų16686.8 Ų86.877%0.76946%0.463SS*.SBendtrans-99.3-48.7-173.3-59.5-63.8000112.5D389D389-H391 PolarHBondContact OD1-N 3.17Å
392T93.2Very high95.2Very high70 Ų7082.6 Ų82.643%0.42944%0.441SS..SBendtrans-129.423.5-170.6480000113.8D389 Q394 L395D389-T392 PolarHBondContact OD1-N 3.22Å; D389-T392 VanDerWaalsContact OD2-CA 3.26Å; D389-T392 WeakPolarHBondContact OD2-CA 3.46Å; D389-T392 WeakPolarHBondContact OD2-CB 3.37Å; D389-T392 PolarHBondContact OD2-N 3.25Å; D389-T392 PolarHBondContact OD2-OG1 3.37Å; T392-Q394 PolarHBondContact O-N 2.98Å; T392-L395 HydrophobicContact CG2-CD1 4.13Å; T392-L395 WeakPolarHBondContact O-CB 3.39Å; T392-L395 PolarHBondContact O-N 3.29Å
393K92Very high95.2Very high110 Ų11078.2 Ų78.248%0.47842%0.42SS..G310 helixtrans-41.5-45.5-174.5-169.3168.4177.8158.50115.2E387 D389 L395 N396E387-K393 VanDerWaalsContact O-CE 3.27Å; E387-K393 WeakPolarHBondContact O-CE 3.39Å; E387-K393 PolarHBondContact O-NZ 3.42Å; E387-K393 VanDerWaalsContact O-NZ 3.12Å; D389-K393 WeakPolarHBondContact O-CB 3.43Å; D389-K393 PolarHBondContact OD2-N 3.14Å; K393-L395 VanDerWaalsContact C-N 3.27Å; K393-L395 PolarHBondContact O-N 3.44Å; K393-N396 PolarHBondContact O-N 2.98Å; K393-N396 VanDerWaalsContact O-N 3.08Å
394Q91.9Very high95.2Very high176 Ų17680.6 Ų80.682%0.82243%0.434SS*.G310 helixtrans-61.5-35-177.1-66.2179.5-5.400112.6T392 N396 T397T392-Q394 PolarHBondContact O-N 2.98Å; Q394-N396 VanDerWaalsContact C-N 3.26Å; Q394-N396 PolarHBondContact O-N 2.91Å; Q394-T397 PolarHBondContact O-OG1 3.32Å
395L93.8Very high95.2Very high140 Ų14074.9 Ų74.973%0.73342%0.415SS*.G310 helixtrans-69.9-25.4178.1-57.9-178.9000112T392 K393T392-L395 HydrophobicContact CG2-CD1 4.13Å; T392-L395 WeakPolarHBondContact O-CB 3.39Å; T392-L395 PolarHBondContact O-N 3.29Å; K393-L395 VanDerWaalsContact C-N 3.27Å; K393-L395 PolarHBondContact O-N 3.44Å
396N94.7Very high95.2Very high36 Ų3672.7 Ų72.719%0.19340%0.396CS..G310 helixtrans-88.2-6.1-176.1-63-27.3000114I386 D389 K393 Q394 K398 L399 C400I386-N396 HydrophobicContact CG2-CB 3.56Å; D389-N396 PolarHBondContact OD2-ND2 3.05Å; K393-N396 PolarHBondContact O-N 2.98Å; K393-N396 VanDerWaalsContact O-N 3.08Å; Q394-N396 VanDerWaalsContact C-N 3.26Å; Q394-N396 PolarHBondContact O-N 2.91Å; N396-K398 VanDerWaalsContact C-N 3.31Å; N396-K398 PolarHBondContact O-N 3.36Å; N396-L399 WeakPolarHBondContact O-CB 3.37Å; N396-L399 PolarHBondContact O-N 3.13Å; N396-C400 PolarHBondContact O-N 2.91Å; N396-C400 PolarHBondContact O-SG 3.48Å
397T93.2Very high95.3Very high94 Ų9471.3 Ų71.358%0.57739%0.389SS*.Hα-helixtrans-51.7-46.8-173.5-51.40000112.9Q394 A401Q394-T397 PolarHBondContact O-OG1 3.32Å; T397-A401 PolarHBondContact O-N 3.49Å
398K93.9Very high95.4Very high96 Ų9668.7 Ų68.742%0.41738%0.378SS..Hα-helixtrans-65.3-46.6178.4-176.4176.5-179.6178.10111.5N396 C400 A401 S402 E532N396-K398 VanDerWaalsContact C-N 3.31Å; N396-K398 PolarHBondContact O-N 3.36Å; K398-C400 VanDerWaalsContact C-N 3.35Å; K398-C400 PolarHBondContact O-N 3.4Å; K398-A401 WeakPolarHBondContact O-CB 3.46Å; K398-A401 PolarHBondContact O-N 3.49Å; K398-A401 VanDerWaalsContact O-N 3.15Å; K398-S402 PolarHBondContact O-N 3.42Å; K398-S402 PolarHBondContact O-OG 3.23Å; K398-E532 PolarHBondContact NZ-O 3.1Å
399L95.9Very high95.6Very high71 Ų7165.2 Ų65.237%0.37235%0.354SS..Hα-helixtrans-58.8-45.7178.9177.459.9000111.5I386 N396 A401 S402 L403 F531I386-L399 HydrophobicContact CD1-CD2 3.84Å; I386-L399 HydrophobicContact CD1-CG 4.16Å; N396-L399 WeakPolarHBondContact O-CB 3.37Å; N396-L399 PolarHBondContact O-N 3.13Å; L399-A401 PolarHBondContact O-N 3.46Å; L399-S402 PolarHBondContact O-N 2.99Å; L399-L403 HydrophobicContact CD1-CD1 3.94Å; L399-L403 HydrophobicContact CD1-CG 4.01Å; L399-L403 HydrophobicContact CG-CD1 3.94Å; L399-L403 HydrophobicContact CG-CG 4.43Å; L399-L403 WeakPolarHBondContact O-CB 3.47Å; L399-L403 VanDerWaalsContact O-CG 3.26Å; L399-L403 WeakPolarHBondContact O-CG 3.48Å; L399-L403 PolarHBondContact O-N 3.11Å; L399-F531 HydrophobicContact CD1-CE1 4.3Å
400C96.4Very high95.8Very high15 Ų1565 Ų6510%0.10135%0.351CS..Hα-helixtrans-59.5-45.8174.9-65.80000111.5S383 I386 N396 K398 S402 L403 T404S383-C400 PolarHBondContact OG-O 3.22Å; I386-C400 WeakPolarHBondContact CG2-SG 3.46Å; N396-C400 PolarHBondContact O-N 2.91Å; N396-C400 PolarHBondContact O-SG 3.48Å; K398-C400 VanDerWaalsContact C-N 3.35Å; K398-C400 PolarHBondContact O-N 3.4Å; C400-S402 PolarHBondContact O-N 2.87Å; C400-L403 PolarHBondContact O-N 3.39Å; C400-T404 WeakPolarHBondContact O-CB 3.44Å; C400-T404 PolarHBondContact O-N 3.43Å; C400-T404 PolarHBondContact O-OG1 3.35Å
401A95.4Very high96Very high60 Ų6065.6 Ų65.650%0.49634%0.34SS..Hα-helixtrans-60-46178.200000112.1T397 K398 L399 T404 A405T397-A401 PolarHBondContact O-N 3.49Å; K398-A401 WeakPolarHBondContact O-CB 3.46Å; K398-A401 PolarHBondContact O-N 3.49Å; K398-A401 VanDerWaalsContact O-N 3.15Å; L399-A401 PolarHBondContact O-N 3.46Å; A401-T404 PolarHBondContact O-N 2.86Å; A401-A405 WeakPolarHBondContact O-CB 3.22Å; A401-A405 PolarHBondContact O-N 2.92Å
402S97.8Very high96.2Very high4 Ų460.9 Ų60.93%0.02832%0.32CS..Hα-helixtrans-67.9-39.2179.6-470000112.6K398 L399 C400 A405 T406 S530 F531K398-S402 PolarHBondContact O-N 3.42Å; K398-S402 PolarHBondContact O-OG 3.23Å; L399-S402 PolarHBondContact O-N 2.99Å; C400-S402 PolarHBondContact O-N 2.87Å; S402-A405 PolarHBondContact O-N 3.13Å; S402-T406 WeakPolarHBondContact O-CB 3.16Å; S402-T406 PolarHBondContact O-N 3.12Å; S402-T406 PolarHBondContact O-OG1 3.5Å; S402-S530 WeakPolarHBondContact CA-OG 3.39Å; S402-S530 WeakPolarHBondContact CB-OG 3.3Å; S402-S530 PolarHBondContact OG-O 3.15Å; S402-F531 VanDerWaalsContact CB-CZ 3.44Å
403L98.1Very high96.3Very high16 Ų1657.5 Ų57.58%0.08430%0.3CS..Hα-helixtrans-65.4-42.4173.7-71.1171.8000111.7F379 M382 I386 L399 C400 T406 G407 F531F379-L403 HydrophobicContact CD1-CD2 3.6Å; F379-L403 HydrophobicContact CE1-CD2 3.87Å; M382-L403 HydrophobicContact CG-CD1 4.03Å; I386-L403 HydrophobicContact CD1-CD1 3.37Å; L399-L403 HydrophobicContact CD1-CD1 3.94Å; L399-L403 HydrophobicContact CD1-CG 4.01Å; L399-L403 HydrophobicContact CG-CD1 3.94Å; L399-L403 HydrophobicContact CG-CG 4.43Å; L399-L403 WeakPolarHBondContact O-CB 3.47Å; L399-L403 VanDerWaalsContact O-CG 3.26Å; L399-L403 WeakPolarHBondContact O-CG 3.48Å; L399-L403 PolarHBondContact O-N 3.11Å; C400-L403 PolarHBondContact O-N 3.39Å; L403-T406 PolarHBondContact O-N 2.68Å; L403-G407 PolarHBondContact O-N 2.94Å; L403-F531 HydrophobicContact CD2-CZ 4.4Å
404T98Very high96.6Very high51 Ų5153 Ų5331%0.31328%0.282SS..Hα-helixtrans-62.6-44174.4-65.30000111.4L380 S383 C400 A401 T406 G407 N408L380-T404 HydrophobicContact CD2-CG2 4.27Å; S383-T404 WeakPolarHBondContact CB-OG1 3.13Å; S383-T404 PolarHBondContact OG-OG1 3.43Å; C400-T404 WeakPolarHBondContact O-CB 3.44Å; C400-T404 PolarHBondContact O-N 3.43Å; C400-T404 PolarHBondContact O-OG1 3.35Å; A401-T404 PolarHBondContact O-N 2.86Å; T404-T406 VanDerWaalsContact C-N 3.34Å; T404-T406 PolarHBondContact O-N 3.3Å; T404-G407 PolarHBondContact O-N 3.34Å; T404-N408 PolarHBondContact O-N 3.19Å; T404-N408 PolarHBondContact O-ND2 3.2Å
405A97.4Very high96.8Very high33 Ų3348 Ų4827%0.27327%0.265SS..Hα-helixtrans-58.6-46.3175.200000111.2A401 S402 G407 N408 T409A401-A405 WeakPolarHBondContact O-CB 3.22Å; A401-A405 PolarHBondContact O-N 2.92Å; S402-A405 PolarHBondContact O-N 3.13Å; A405-G407 PolarHBondContact O-N 3.23Å; A405-N408 PolarHBondContact O-N 3.46Å; A405-T409 PolarHBondContact O-N 3.07Å; A405-T409 PolarHBondContact O-OG1 3.05Å
406T98.3Very high96.8Very high9 Ų941.9 Ų41.96%0.05523%0.234CC..Hα-helixtrans-60.8-46.1176.5-550000112.3F379 S402 L403 T404 N408 T409 F410 F531F379-T406 HydrophobicContact CD1-CG2 3.59Å; F379-T406 HydrophobicContact CD2-CG2 4.07Å; F379-T406 HydrophobicContact CE1-CG2 3.61Å; F379-T406 HydrophobicContact CE2-CG2 4.1Å; F379-T406 HydrophobicContact CG-CG2 3.84Å; F379-T406 HydrophobicContact CZ-CG2 3.86Å; S402-T406 WeakPolarHBondContact O-CB 3.16Å; S402-T406 PolarHBondContact O-N 3.12Å; S402-T406 PolarHBondContact O-OG1 3.5Å; L403-T406 PolarHBondContact O-N 2.68Å; T404-T406 VanDerWaalsContact C-N 3.34Å; T404-T406 PolarHBondContact O-N 3.3Å; T406-N408 VanDerWaalsContact C-N 3.32Å; T406-N408 PolarHBondContact O-N 3.31Å; T406-T409 WeakPolarHBondContact O-CB 3.1Å; T406-T409 PolarHBondContact O-N 2.86Å; T406-F410 HydrophobicContact CG2-CD2 3.96Å; T406-F410 HydrophobicContact CG2-CE2 3.53Å; T406-F410 HydrophobicContact CG2-CZ 4.19Å; T406-F410 PolarHBondContact O-N 2.87Å; T406-F531 VanDerWaalsContact OG1-CE2 3.27Å; T406-F531 WeakPolarHBondContact OG1-CE2 3.42Å
407G98.4Very high96.8Very high0 Ų040.8 Ų40.80%023%0.227CC..Hα-helixtrans-59.2-42.2176.400000112.4S376 L403 T404 A405 R411S376-G407 VanDerWaalsContact CB-O 3.26Å; S376-G407 WeakPolarHBondContact CB-O 3.42Å; S376-G407 PolarHBondContact OG-O 3Å; L403-G407 PolarHBondContact O-N 2.94Å; T404-G407 PolarHBondContact O-N 3.34Å; A405-G407 PolarHBondContact O-N 3.23Å; G407-R411 PolarHBondContact O-N 3.45Å; G407-R411 VanDerWaalsContact O-N 3.08Å
408N98.3Very high96.6Very high50 Ų5038.7 Ų38.727%0.26722%0.219SC..Hα-helixtrans-67.3-39.7174.5-77.6-44.4000112.8T404 A405 T406 R411 N412T404-N408 PolarHBondContact O-N 3.19Å; T404-N408 PolarHBondContact O-ND2 3.2Å; A405-N408 PolarHBondContact O-N 3.46Å; T406-N408 VanDerWaalsContact C-N 3.32Å; T406-N408 PolarHBondContact O-N 3.31Å; N408-R411 WeakPolarHBondContact O-CB 3.39Å; N408-R411 PolarHBondContact O-N 3.27Å; N408-R411 PolarHBondContact OD1-NH2 2.93Å; N408-N412 PolarHBondContact O-N 3.41Å
409T98.3Very high96.5Very high13 Ų1340.1 Ų40.18%0.0823%0.23CC..Hα-helixtrans-58.2-48.8174-75.90000111.4A405 T406 R411 N412 V413 Q523 I524 A527A405-T409 PolarHBondContact O-N 3.07Å; A405-T409 PolarHBondContact O-OG1 3.05Å; T406-T409 WeakPolarHBondContact O-CB 3.1Å; T406-T409 PolarHBondContact O-N 2.86Å; T409-R411 VanDerWaalsContact C-N 3.28Å; T409-R411 PolarHBondContact O-N 2.69Å; T409-N412 WeakPolarHBondContact O-CB 3.34Å; T409-N412 PolarHBondContact O-N 2.84Å; T409-N412 VanDerWaalsContact O-N 3.09Å; T409-V413 HydrophobicContact CG2-CG2 4.47Å; T409-V413 WeakPolarHBondContact O-CG2 3.4Å; T409-V413 PolarHBondContact O-N 3.04Å; T409-Q523 HydrophobicContact CG2-CB 4.11Å; T409-Q523 VanDerWaalsContact CG2-O 3.22Å; T409-Q523 WeakPolarHBondContact CG2-O 3.47Å; T409-Q523 PolarHBondContact OG1-O 2.93Å; T409-I524 HydrophobicContact CG2-CG1 4.39Å; T409-A527 HydrophobicContact CG2-CB 3.99Å
410F98.5Very high95.9Very high32 Ų3243.1 Ų43.114%0.1424%0.242CC..Hα-helixtrans-67.2-29177.6-67.8-38.4000113.3F372 L375 F379 T406 V413 S414 I524F372-F410 HydrophobicContact CD1-CB 4.29Å; F372-F410 AromaticContact CD1-CD1 3.69Å; F372-F410 HydrophobicContact CD1-CD1 3.69Å; F372-F410 HydrophobicContact CD1-CE1 4.4Å; F372-F410 HydrophobicContact CD1-CG 4.24Å; F372-F410 AromaticContact CE1-CD1 3.78Å; F372-F410 HydrophobicContact CE1-CD1 3.78Å; F372-F410 HydrophobicContact CE1-CE1 4.07Å; L375-F410 HydrophobicContact CB-CB 4.29Å; L375-F410 HydrophobicContact CB-CD2 3.86Å; L375-F410 HydrophobicContact CB-CE2 4.44Å; L375-F410 HydrophobicContact CB-CG 4.16Å; F379-F410 AromaticContact CD2-CD2 3.9Å; F379-F410 HydrophobicContact CD2-CD2 3.9Å; F379-F410 AromaticContact CD2-CE2 3.83Å; F379-F410 HydrophobicContact CD2-CE2 3.83Å; F379-F410 HydrophobicContact CE2-CD2 4.09Å; F379-F410 AromaticContact CE2-CE2 3.55Å; F379-F410 HydrophobicContact CE2-CE2 3.55Å; F379-F410 HydrophobicContact CZ-CE2 4.23Å; T406-F410 HydrophobicContact CG2-CD2 3.96Å; T406-F410 HydrophobicContact CG2-CE2 3.53Å; T406-F410 HydrophobicContact CG2-CZ 4.19Å; T406-F410 PolarHBondContact O-N 2.87Å; F410-V413 PolarHBondContact O-N 3.33Å; F410-S414 WeakPolarHBondContact O-CB 3.4Å; F410-S414 PolarHBondContact O-N 2.81Å; F410-I524 HydrophobicContact CE1-CG1 4.46Å
411R98.1Very high95.7Very high135 Ų13543.7 Ų43.751%0.50925%0.246SC..Hα-helixtrans-61.4-46.5169.1-169.7163.258.4123.8-4.1110.9S376 G407 N408 T409 S414 C415S376-R411 WeakPolarHBondContact OG-CB 3.44Å; G407-R411 PolarHBondContact O-N 3.45Å; G407-R411 VanDerWaalsContact O-N 3.08Å; N408-R411 WeakPolarHBondContact O-CB 3.39Å; N408-R411 PolarHBondContact O-N 3.27Å; N408-R411 PolarHBondContact OD1-NH2 2.93Å; T409-R411 VanDerWaalsContact C-N 3.28Å; T409-R411 PolarHBondContact O-N 2.69Å; R411-S414 WeakPolarHBondContact O-CB 3.29Å; R411-S414 PolarHBondContact O-N 3.46Å; R411-C415 PolarHBondContact O-N 2.91Å; R411-C415 PolarHBondContact O-SG 2.81Å; R411-C415 VanDerWaalsContact O-SG 3.37Å
412N97.5Very high95.5Very high67 Ų6747.9 Ų47.936%0.35826%0.256SS..Hα-helixtrans-63.6-44.6177.7-66.6-15000111.4N408 T409 S414 C415 I416N408-N412 PolarHBondContact O-N 3.41Å; T409-N412 WeakPolarHBondContact O-CB 3.34Å; T409-N412 PolarHBondContact O-N 2.84Å; T409-N412 VanDerWaalsContact O-N 3.09Å; N412-S414 VanDerWaalsContact C-N 3.31Å; N412-S414 PolarHBondContact O-N 2.94Å; N412-C415 CarbonylContact O-C 3.48Å; N412-C415 WeakPolarHBondContact O-CA 3.28Å; N412-C415 WeakPolarHBondContact O-CB 3.28Å; N412-C415 PolarHBondContact O-N 2.97Å; N412-I416 WeakPolarHBondContact O-CG1 3.47Å; N412-I416 PolarHBondContact O-N 3.49Å
413V97.2Very high95.4Very high0 Ų048.4 Ų48.40%026%0.261CS..Hα-helixtrans-59.9-41.3175.9175.10000111.3F372 T409 F410 C415 I416 H417 I520 Q523F372-V413 HydrophobicContact CD1-CB 4.12Å; F372-V413 HydrophobicContact CD1-CG1 3.72Å; F372-V413 HydrophobicContact CD2-CG1 3.74Å; F372-V413 HydrophobicContact CE1-CB 4.34Å; F372-V413 HydrophobicContact CE1-CG1 3.65Å; F372-V413 HydrophobicContact CE2-CG1 3.66Å; F372-V413 HydrophobicContact CG-CB 4.34Å; F372-V413 HydrophobicContact CG-CG1 3.77Å; F372-V413 HydrophobicContact CZ-CG1 3.62Å; T409-V413 HydrophobicContact CG2-CG2 4.47Å; T409-V413 WeakPolarHBondContact O-CG2 3.4Å; T409-V413 PolarHBondContact O-N 3.04Å; F410-V413 PolarHBondContact O-N 3.33Å; V413-C415 VanDerWaalsContact C-N 3.32Å; V413-C415 PolarHBondContact O-N 3.45Å; V413-I416 PolarHBondContact O-N 2.93Å; V413-H417 PolarHBondContact O-CD2 2.71Å; V413-H417 VanDerWaalsContact O-CD2 3.29Å; V413-H417 PolarHBondContact O-N 3.42Å; V413-I520 HydrophobicContact CG1-CD1 4.22Å; V413-I520 HydrophobicContact CG1-CG1 4.22Å; V413-I520 HydrophobicContact CG1-CG2 4.08Å; V413-I520 HydrophobicContact CG2-CG2 4.21Å; V413-Q523 HydrophobicContact CG2-CB 4.4Å
414S97Very high95.3Very high14 Ų1448 Ų4810%0.09826%0.259CS..Hα-helixtrans-56.8-44.7170.9170.40000111.9R369 F410 R411 N412 H417 A418R369-S414 WeakPolarHBondContact CG-O 3.4Å; R369-S414 WeakPolarHBondContact CG-OG 3.36Å; R369-S414 PolarHBondContact O-OG 3.34Å; F410-S414 WeakPolarHBondContact O-CB 3.4Å; F410-S414 PolarHBondContact O-N 2.81Å; R411-S414 WeakPolarHBondContact O-CB 3.29Å; R411-S414 PolarHBondContact O-N 3.46Å; N412-S414 VanDerWaalsContact C-N 3.31Å; N412-S414 PolarHBondContact O-N 2.94Å; S414-H417 PolarHBondContact O-N 3.37Å; S414-A418 PolarHBondContact O-N 3.42Å
415C95.6Very high95.1Very high71 Ų7147 Ų4748%0.4825%0.252SS..Hα-helixtrans-63.5-41.7175.6-65.10000112.4R411 N412 V413 H417 A418 I419R411-C415 PolarHBondContact O-N 2.91Å; R411-C415 PolarHBondContact O-SG 2.81Å; R411-C415 VanDerWaalsContact O-SG 3.37Å; N412-C415 CarbonylContact O-C 3.48Å; N412-C415 WeakPolarHBondContact O-CA 3.28Å; N412-C415 WeakPolarHBondContact O-CB 3.28Å; N412-C415 PolarHBondContact O-N 2.97Å; V413-C415 VanDerWaalsContact C-N 3.32Å; V413-C415 PolarHBondContact O-N 3.45Å; C415-H417 VanDerWaalsContact C-N 3.3Å; C415-H417 PolarHBondContact O-N 3.22Å; C415-A418 WeakPolarHBondContact O-CA 3.44Å; C415-A418 VanDerWaalsContact O-CB 3.27Å; C415-A418 WeakPolarHBondContact O-CB 3.38Å; C415-A418 PolarHBondContact O-N 2.98Å; C415-I419 PolarHBondContact O-N 3.36Å
416I94.8Very high95Very high13 Ų1348 Ų487%0.06725%0.253CS..Hα-helixtrans-57.8-44176.2-64.2169.8000110.2N412 V413 A418 I419 F516 Q519 I520 Q523N412-I416 WeakPolarHBondContact O-CG1 3.47Å; N412-I416 PolarHBondContact O-N 3.49Å; V413-I416 PolarHBondContact O-N 2.93Å; I416-A418 PolarHBondContact O-N 3.48Å; I416-I419 PolarHBondContact O-N 3.22Å; I416-I419 VanDerWaalsContact O-N 3.13Å; I416-F516 HydrophobicContact CG2-CD2 3.78Å; I416-F516 HydrophobicContact CG2-CE2 3.62Å; I416-Q519 HydrophobicContact CD1-CG 3.93Å; I416-I520 HydrophobicContact CD1-CG1 4.4Å; I416-I520 HydrophobicContact CG2-CG1 4.29Å; I416-Q523 HydrophobicContact CD1-CG 4.46Å
417H94Very high94.9Very high13 Ų1347.9 Ų47.96%0.0625%0.252CS..Hα-helixtrans-62.7-22.7175-83-75.9000114S365 R369 F372 V413 S414 C415 F516S365-H417 VanDerWaalsContact CA-O 3.29Å; S365-H417 WeakPolarHBondContact CA-O 3.44Å; R369-H417 HydrophobicContact CB-CB 4Å; F372-H417 AromaticContact CD2-CD2 3.65Å; F372-H417 AromaticContact CD2-NE2 3.74Å; F372-H417 AromaticContact CE2-CD2 3.82Å; F372-H417 AromaticContact CE2-NE2 3.4Å; F372-H417 WeakPolarHBondContact CE2-NE2 3.44Å; V413-H417 PolarHBondContact O-CD2 2.71Å; V413-H417 VanDerWaalsContact O-CD2 3.29Å; V413-H417 PolarHBondContact O-N 3.42Å; S414-H417 PolarHBondContact O-N 3.37Å; C415-H417 VanDerWaalsContact C-N 3.3Å; C415-H417 PolarHBondContact O-N 3.22Å; H417-F516 AromaticContact CE1-CZ 3.51Å; H417-F516 AromaticContact ND1-CZ 3.59Å
418A90.7Very high94.8Very high49 Ų4948.9 Ų48.941%0.40526%0.257SS..Hα-helixtrans-78.8-20.1177.300000113S414 C415 I416 Q420S414-A418 PolarHBondContact O-N 3.42Å; C415-A418 WeakPolarHBondContact O-CA 3.44Å; C415-A418 VanDerWaalsContact O-CB 3.27Å; C415-A418 WeakPolarHBondContact O-CB 3.38Å; C415-A418 PolarHBondContact O-N 2.98Å; I416-A418 PolarHBondContact O-N 3.48Å; A418-Q420 PolarHBondContact O-N 3.24Å
419I90.1Very high94.6Very high126 Ų12649.3 Ų49.365%0.64626%0.257SS*.  trans-75.4124.1-176.7-61.6171.8000109C415 I416C415-I419 PolarHBondContact O-N 3.36Å; I416-I419 PolarHBondContact O-N 3.22Å; I416-I419 VanDerWaalsContact O-N 3.13Å
420Q84.5Confident94.5Very high135 Ų13548.8 Ų48.863%0.63125%0.254SS*.  trans-86.8114.8172.1-173.3171.74.100109.5A418 T425A418-Q420 PolarHBondContact O-N 3.24Å; Q420-T425 VanDerWaalsContact CG-OG1 3.29Å; Q420-T425 WeakPolarHBondContact CG-OG1 3.26Å; Q420-T425 PolarHBondContact NE2-OG1 3.27Å
421S90.6Very high94.4Very high26 Ų2647.3 Ų47.318%0.18225%0.248CC..  trans-75137.5176.3170.60000112A423 T424 T425 D512S421-A423 VanDerWaalsContact C-N 3.29Å; S421-A423 PolarHBondContact O-N 2.97Å; S421-A423 PolarHBondContact OG-N 3.46Å; S421-T424 WeakPolarHBondContact O-CB 3.33Å; S421-T424 PolarHBondContact O-N 3.06Å; S421-T424 VanDerWaalsContact O-N 3.16Å; S421-T425 PolarHBondContact O-N 3.16Å; S421-T425 PolarHBondContact O-OG1 2.78Å; S421-D512 WeakPolarHBondContact CB-OD2 3.47Å; S421-D512 PolarHBondContact OG-OD1 3.38Å; S421-D512 PolarHBondContact OG-OD2 2.86Å
422E93.2Very high94.3Very high148 Ų14845.3 Ų45.369%0.69224%0.243SC*.Hα-helixtrans-56.1-42.8174.3-164.9-166.4154.800111.9T424 T425 N426E422-T424 VanDerWaalsContact C-N 3.29Å; E422-T424 PolarHBondContact O-N 3.48Å; E422-T425 PolarHBondContact O-N 3.47Å; E422-N426 VanDerWaalsContact O-CB 3.26Å; E422-N426 WeakPolarHBondContact O-CB 3.18Å; E422-N426 PolarHBondContact O-N 2.66Å; E422-N426 PolarHBondContact O-ND2 2.97Å; E422-N426 PolarHBondContact OE1-ND2 2.98Å
423A95.5Very high94.1Very high16 Ų1643.6 Ų43.613%0.13223%0.233CC..Hα-helixtrans-62.3-38.5179.300000111.9S421 L427 D508 D512S421-A423 VanDerWaalsContact C-N 3.29Å; S421-A423 PolarHBondContact O-N 2.97Å; S421-A423 PolarHBondContact OG-N 3.46Å; A423-L427 PolarHBondContact O-N 3.22Å; A423-L427 VanDerWaalsContact O-N 3.12Å; A423-D508 HydrophobicContact CB-CB 4.49Å; A423-D512 HydrophobicContact CB-CB 3.76Å
424T95.4Very high94.1Very high7 Ų743.6 Ų43.64%0.04323%0.233CC..Hα-helixtrans-67.5-47.4176.1-65.50000111.1H361 S421 E422 N426 L427 Q428H361-T424 HydrophobicContact CB-CG2 4.44Å; S421-T424 WeakPolarHBondContact O-CB 3.33Å; S421-T424 PolarHBondContact O-N 3.06Å; S421-T424 VanDerWaalsContact O-N 3.16Å; E422-T424 VanDerWaalsContact C-N 3.29Å; E422-T424 PolarHBondContact O-N 3.48Å; T424-N426 PolarHBondContact O-N 3.42Å; T424-L427 PolarHBondContact O-N 2.94Å; T424-Q428 WeakPolarHBondContact O-CG 3.47Å; T424-Q428 PolarHBondContact O-N 3.4Å
425T93.4Very high94.1Very high29 Ų2944.4 Ų44.418%0.17824%0.237CC..Hα-helixtrans-58.9-47.8176.6-56.90000111.1Q420 S421 E422 L427 Q428 E429Q420-T425 VanDerWaalsContact CG-OG1 3.29Å; Q420-T425 WeakPolarHBondContact CG-OG1 3.26Å; Q420-T425 PolarHBondContact NE2-OG1 3.27Å; S421-T425 PolarHBondContact O-N 3.16Å; S421-T425 PolarHBondContact O-OG1 2.78Å; E422-T425 PolarHBondContact O-N 3.47Å; T425-L427 VanDerWaalsContact C-N 3.29Å; T425-L427 PolarHBondContact O-N 3.06Å; T425-Q428 PolarHBondContact O-N 3.3Å; T425-E429 HydrophobicContact CG2-CG 4.24Å; T425-E429 WeakPolarHBondContact CG2-OE1 3.19Å; T425-E429 WeakPolarHBondContact O-CB 3.48Å; T425-E429 WeakPolarHBondContact O-CG 3.36Å; T425-E429 PolarHBondContact O-N 2.9Å
426N95.2Very high94Very high56 Ų5644.8 Ų44.830%0.29923%0.228SC..Hα-helixtrans-60.7-36-179.6-76.4-19000113E422 T424 C430 K505E422-N426 VanDerWaalsContact O-CB 3.26Å; E422-N426 WeakPolarHBondContact O-CB 3.18Å; E422-N426 PolarHBondContact O-N 2.66Å; E422-N426 PolarHBondContact O-ND2 2.97Å; E422-N426 PolarHBondContact OE1-ND2 2.98Å; T424-N426 PolarHBondContact O-N 3.42Å; N426-C430 VanDerWaalsContact O-CB 3.29Å; N426-C430 WeakPolarHBondContact O-CB 3.36Å; N426-C430 PolarHBondContact O-N 2.75Å; N426-K505 PolarHBondContact O-NZ 2.83Å
427L97.4Very high94.1Very high5 Ų544.4 Ų44.43%0.02623%0.227CC..Hα-helixtrans-71.6-47.9174177.861.4000111.1A423 T424 T425 E429 C430 L431 K505 I506 Y509A423-L427 PolarHBondContact O-N 3.22Å; A423-L427 VanDerWaalsContact O-N 3.12Å; T424-L427 PolarHBondContact O-N 2.94Å; T425-L427 VanDerWaalsContact C-N 3.29Å; T425-L427 PolarHBondContact O-N 3.06Å; L427-E429 PolarHBondContact O-N 2.98Å; L427-C430 PolarHBondContact O-N 3.18Å; L427-L431 HydrophobicContact CD1-CD1 4.02Å; L427-L431 HydrophobicContact CD1-CG 4.05Å; L427-L431 HydrophobicContact CG-CD1 3.94Å; L427-L431 HydrophobicContact CG-CG 4.38Å; L427-L431 WeakPolarHBondContact O-CG 3.36Å; L427-L431 PolarHBondContact O-N 3Å; L427-K505 HydrophobicContact CD1-CB 4.14Å; L427-I506 HydrophobicContact CD1-CG1 3.85Å; L427-Y509 HydrophobicContact CD2-CD1 3.66Å; L427-Y509 HydrophobicContact CD2-CD2 3.9Å; L427-Y509 HydrophobicContact CD2-CE1 4.23Å; L427-Y509 HydrophobicContact CD2-CE2 4.44Å; L427-Y509 HydrophobicContact CD2-CG 3.46Å; L427-Y509 VanDerWaalsContact CD2-CG 3.46Å
428Q95.9Very high94.3Very high21 Ų2143.8 Ų43.810%0.09822%0.224CC..Hα-helixtrans-61.1-43.7-179.6-73.8-179.1-0.100112.3V357 V358 T424 T425 L431 K432V357-Q428 HydrophobicContact CG1-CG 4.01Å; V358-Q428 HydrophobicContact CG2-CB 4.34Å; V358-Q428 HydrophobicContact CG2-CG 4.01Å; T424-Q428 WeakPolarHBondContact O-CG 3.47Å; T424-Q428 PolarHBondContact O-N 3.4Å; T425-Q428 PolarHBondContact O-N 3.3Å; Q428-L431 PolarHBondContact O-N 2.93Å; Q428-K432 WeakPolarHBondContact O-CB 3.32Å; Q428-K432 VanDerWaalsContact O-CG 3.23Å; Q428-K432 WeakPolarHBondContact O-CG 3.43Å; Q428-K432 PolarHBondContact O-N 2.79Å
429E93.5Very high94.6Very high59 Ų5944.3 Ų44.328%0.27622%0.223SC..Hα-helixtrans-62.7-44.3176.6-71.3-176.1177.200111.7Q270 T425 L427 L431 K432 E433Q270-E429 PolarHBondContact NE2-OE2 2.94Å; T425-E429 HydrophobicContact CG2-CG 4.24Å; T425-E429 WeakPolarHBondContact CG2-OE1 3.19Å; T425-E429 WeakPolarHBondContact O-CB 3.48Å; T425-E429 WeakPolarHBondContact O-CG 3.36Å; T425-E429 PolarHBondContact O-N 2.9Å; L427-E429 PolarHBondContact O-N 2.98Å; E429-L431 PolarHBondContact O-N 3.42Å; E429-K432 PolarHBondContact O-N 3.02Å; E429-E433 WeakPolarHBondContact O-CB 3.47Å; E429-E433 PolarHBondContact O-N 2.96Å
430C95.6Very high94.9Very high3 Ų340.7 Ų40.72%0.0221%0.205CC..Hα-helixtrans-60.2-46.6175.6-178.90000111.9N426 L427 K432 E433 F434 E501 K505N426-C430 VanDerWaalsContact O-CB 3.29Å; N426-C430 WeakPolarHBondContact O-CB 3.36Å; N426-C430 PolarHBondContact O-N 2.75Å; L427-C430 PolarHBondContact O-N 3.18Å; C430-K432 VanDerWaalsContact C-N 3.35Å; C430-K432 PolarHBondContact O-N 3.31Å; C430-E433 WeakPolarHBondContact O-CB 3.39Å; C430-E433 PolarHBondContact O-N 3.17Å; C430-F434 VanDerWaalsContact O-CD2 3.3Å; C430-F434 WeakPolarHBondContact O-CD2 3.34Å; C430-F434 PolarHBondContact O-N 3.33Å; C430-E501 PolarHBondContact SG-OE2 3.41Å; C430-K505 HydrophobicContact CB-CD 3.4Å; C430-K505 VanDerWaalsContact CB-CD 3.4Å; C430-K505 WeakPolarHBondContact SG-CD 3.49Å
431L97.4Very high95.5Very high1 Ų134.5 Ų34.51%0.00518%0.176CC..Hα-helixtrans-63.1-40.4177.4-69.3173.5000112L353 C354 V357 L427 Q428 E429 E433 F434 T435 W502L353-L431 HydrophobicContact CD2-CD1 4.48Å; L353-L431 HydrophobicContact CD2-CD2 3.75Å; L353-L431 HydrophobicContact CG-CD1 4.13Å; L353-L431 HydrophobicContact CG-CD2 4.13Å; C354-L431 HydrophobicContact CB-CB 3.83Å; V357-L431 HydrophobicContact CB-CD1 4.34Å; V357-L431 HydrophobicContact CG2-CD1 4.28Å; L427-L431 HydrophobicContact CD1-CD1 4.02Å; L427-L431 HydrophobicContact CD1-CG 4.05Å; L427-L431 HydrophobicContact CG-CD1 3.94Å; L427-L431 HydrophobicContact CG-CG 4.38Å; L427-L431 WeakPolarHBondContact O-CG 3.36Å; L427-L431 PolarHBondContact O-N 3Å; Q428-L431 PolarHBondContact O-N 2.93Å; E429-L431 PolarHBondContact O-N 3.42Å; L431-E433 VanDerWaalsContact C-N 3.32Å; L431-F434 PolarHBondContact O-N 3.26Å; L431-T435 WeakPolarHBondContact O-CB 3.27Å; L431-T435 PolarHBondContact O-N 3.06Å; L431-T435 PolarHBondContact O-OG1 3.06Å; L431-W502 HydrophobicContact CD2-CZ2 4.14Å
432K95.1Very high95.8Very high92 Ų9236.9 Ų36.940%0.419%0.193SC..Hα-helixtrans-62.9-39.8174.9-75.3172.2-178.5177.60111.5Q428 E429 C430 T435 R436Q428-K432 WeakPolarHBondContact O-CB 3.32Å; Q428-K432 VanDerWaalsContact O-CG 3.23Å; Q428-K432 WeakPolarHBondContact O-CG 3.43Å; Q428-K432 PolarHBondContact O-N 2.79Å; E429-K432 PolarHBondContact O-N 3.02Å; C430-K432 VanDerWaalsContact C-N 3.35Å; C430-K432 PolarHBondContact O-N 3.31Å; K432-T435 PolarHBondContact O-N 3.16Å; K432-R436 WeakPolarHBondContact O-CG 3.28Å; K432-R436 PolarHBondContact O-N 2.92Å
433E94.2Very high95.8Very high31 Ų3133.5 Ų33.515%0.14518%0.183CC..Hα-helixtrans-61.3-50.3176.8-169.9-176.1177.400111.3R274 E429 C430 L431 T435 R436 L437R274-E433 IonicContact CZ-OE1 2.86Å; R274-E433 IonicContact CZ-OE2 3.36Å; R274-E433 IonicContact NE-OE1 3.35Å; R274-E433 PolarHBondContact NE-OE1 3.01Å; R274-E433 IonicContact NH2-OE1 2.7Å; R274-E433 PolarHBondContact NH2-OE1 3.09Å; R274-E433 IonicContact NH2-OE2 3.83Å; R274-E433 PolarHBondContact NH2-OE2 3.26Å; E429-E433 WeakPolarHBondContact O-CB 3.47Å; E429-E433 PolarHBondContact O-N 2.96Å; C430-E433 WeakPolarHBondContact O-CB 3.39Å; C430-E433 PolarHBondContact O-N 3.17Å; L431-E433 VanDerWaalsContact C-N 3.32Å; E433-T435 PolarHBondContact O-N 2.89Å; E433-R436 PolarHBondContact O-N 3.21Å; E433-R436 VanDerWaalsContact O-N 3.08Å; E433-L437 PolarHBondContact O-N 2.7Å
434F96.5Very high95.9Very high0 Ų033 Ų330%018%0.177CC..Hα-helixtrans-67-34.1178.3-76.9-73.3000113T350 C430 L431 R436 L437 L438 Q497 I498 W502T350-F434 HydrophobicContact CG2-CB 3.92Å; C430-F434 VanDerWaalsContact O-CD2 3.3Å; C430-F434 WeakPolarHBondContact O-CD2 3.34Å; C430-F434 PolarHBondContact O-N 3.33Å; L431-F434 PolarHBondContact O-N 3.26Å; F434-R436 PolarHBondContact O-N 3.34Å; F434-L437 HydrophobicContact CD1-CD2 4.08Å; F434-L437 HydrophobicContact CE1-CD2 4.13Å; F434-L437 PolarHBondContact O-N 3.2Å; F434-L437 VanDerWaalsContact O-N 3.14Å; F434-L438 HydrophobicContact CB-CD1 4.35Å; F434-L438 WeakPolarHBondContact O-CB 3.13Å; F434-L438 VanDerWaalsContact O-CG 3.3Å; F434-L438 WeakPolarHBondContact O-CG 3.41Å; F434-L438 PolarHBondContact O-N 3.23Å; F434-Q497 HydrophobicContact CZ-CB 4.18Å; F434-I498 HydrophobicContact CD1-CD1 4.05Å; F434-I498 HydrophobicContact CD1-CG1 3.64Å; F434-I498 HydrophobicContact CE1-CD1 4.12Å; F434-I498 HydrophobicContact CE1-CG1 3.32Å; F434-I498 HydrophobicContact CE2-CG1 4.3Å; F434-I498 HydrophobicContact CG-CG1 4.27Å; F434-I498 HydrophobicContact CZ-CG1 3.69Å; F434-W502 HydrophobicContact CB-CZ2 4.29Å; F434-W502 HydrophobicContact CD2-CZ2 4.34Å; F434-W502 AromaticContact CD2-NE1 3.24Å; F434-W502 AromaticContact CE2-NE1 3.43Å; F434-W502 HydrophobicContact CG-CZ2 4.35Å
435T96.9Very high95.9Very high31 Ų3132.8 Ų32.819%0.1918%0.176CC..Hα-helixtrans-60.6-25.9172.6-57.90000112.3K351 L431 K432 E433 P439K351-T435 HydrophobicContact CB-CG2 4.01Å; K351-T435 HydrophobicContact CG-CG2 4.01Å; L431-T435 WeakPolarHBondContact O-CB 3.27Å; L431-T435 PolarHBondContact O-N 3.06Å; L431-T435 PolarHBondContact O-OG1 3.06Å; K432-T435 PolarHBondContact O-N 3.16Å; E433-T435 PolarHBondContact O-N 2.89Å; T435-P439 VanDerWaalsContact O-CD 3.26Å; T435-P439 WeakPolarHBondContact O-CD 3.16Å; T435-P439 WeakPolarHBondContact O-CG 3.45Å
436R94.7Very high96Very high80 Ų8033.4 Ų33.430%0.30218%0.182SC..Hα-helixtrans-91.6-24.7176.7-67.8173.870.3-159.70.3113.2P246 L247 K432 E433 F434P246-R436 WeakPolarHBondContact CD-O 3.44Å; P246-R436 HydrophobicContact CG-CB 3.83Å; P246-R436 PolarHBondContact O-NH2 3.38Å; L247-R436 PolarHBondContact O-NH2 3.25Å; K432-R436 WeakPolarHBondContact O-CG 3.28Å; K432-R436 PolarHBondContact O-N 2.92Å; E433-R436 PolarHBondContact O-N 3.21Å; E433-R436 VanDerWaalsContact O-N 3.08Å; F434-R436 PolarHBondContact O-N 3.34Å
437L95.9Very high96.1Very high5 Ų530.8 Ų30.83%0.02617%0.168CC..Hα-helixtrans-83.6-48.5-179.8178.163.6000112.4C243 P245 E433 F434 P439 N440C243-L437 HydrophobicContact CB-CD1 3.66Å; C243-L437 WeakPolarHBondContact O-CD1 3.28Å; P245-L437 HydrophobicContact CB-CD1 4.33Å; P245-L437 HydrophobicContact CG-CD1 4.03Å; E433-L437 PolarHBondContact O-N 2.7Å; F434-L437 HydrophobicContact CD1-CD2 4.08Å; F434-L437 HydrophobicContact CE1-CD2 4.13Å; F434-L437 PolarHBondContact O-N 3.2Å; F434-L437 VanDerWaalsContact O-N 3.14Å; L437-P439 VanDerWaalsContact C-CD 3.41Å; L437-N440 WeakPolarHBondContact O-CB 3.11Å; L437-N440 PolarHBondContact O-N 3.05Å; L437-N440 VanDerWaalsContact O-N 3.08Å
438L97.8Very high96.1Very high0 Ų030.6 Ų30.60%017%0.167CC..G310 helixtrans-59.2-33.5-171.8-71.7170.1000114.8L346 D347 T350 F434 N440 T441 I494 I498L346-L438 HydrophobicContact CD2-CD2 3.92Å; L346-L438 HydrophobicContact CG-CD1 4.1Å; L346-L438 HydrophobicContact CG-CD2 4.27Å; D347-L438 HydrophobicContact CB-CB 3.97Å; T350-L438 HydrophobicContact CG2-CD1 3.85Å; T350-L438 VanDerWaalsContact OG1-CD1 3.22Å; T350-L438 WeakPolarHBondContact OG1-CD1 3.47Å; F434-L438 HydrophobicContact CB-CD1 4.35Å; F434-L438 WeakPolarHBondContact O-CB 3.13Å; F434-L438 VanDerWaalsContact O-CG 3.3Å; F434-L438 WeakPolarHBondContact O-CG 3.41Å; F434-L438 PolarHBondContact O-N 3.23Å; L438-N440 PolarHBondContact O-N 2.87Å; L438-N440 VanDerWaalsContact O-N 3.1Å; L438-T441 HydrophobicContact CD2-CG2 4.39Å; L438-T441 VanDerWaalsContact O-CB 3.3Å; L438-T441 WeakPolarHBondContact O-CB 3.38Å; L438-T441 WeakPolarHBondContact O-CG2 3.4Å; L438-T441 PolarHBondContact O-N 3.37Å; L438-T441 PolarHBondContact O-OG1 3.25Å; L438-I494 HydrophobicContact CD2-CG2 4.11Å; L438-I498 HydrophobicContact CD2-CD1 4.38Å
439P97.2Very high96.1Very high60 Ų6032 Ų3239%0.3917%0.173SC..G310 helixtrans-56.8-28.9174.9-29.237.1000113.9D347 T435 L437 T441 S442D347-P439 WeakPolarHBondContact OD1-CD 3.02Å; T435-P439 VanDerWaalsContact O-CD 3.26Å; T435-P439 WeakPolarHBondContact O-CD 3.16Å; T435-P439 WeakPolarHBondContact O-CG 3.45Å; L437-P439 VanDerWaalsContact C-CD 3.41Å; P439-T441 PolarHBondContact O-N 3.35Å; P439-S442 PolarHBondContact O-N 2.82Å
440N95.9Very high96.3Very high50 Ų5029.5 Ų29.527%0.26716%0.162SC..G310 helixtrans-67.8-19.2178.4-66-18.7000113C243 I244 L437 L438 S442 T443C243-N440 HydrophobicContact CB-CB 4.06Å; I244-N440 PolarHBondContact O-ND2 2.82Å; L437-N440 WeakPolarHBondContact O-CB 3.11Å; L437-N440 PolarHBondContact O-N 3.05Å; L437-N440 VanDerWaalsContact O-N 3.08Å; L438-N440 PolarHBondContact O-N 2.87Å; L438-N440 VanDerWaalsContact O-N 3.1Å; N440-S442 PolarHBondContact O-N 2.82Å; N440-T443 PolarHBondContact O-N 3.3Å
441T97.4Very high96.4Very high5 Ų529.3 Ų29.33%0.03116%0.161CC..Hα-helixtrans-66.4-24.918065.60000112.6L343 L438 P439 T443 I444 T445 I494L343-T441 HydrophobicContact CD2-CG2 4.25Å; L438-T441 HydrophobicContact CD2-CG2 4.39Å; L438-T441 VanDerWaalsContact O-CB 3.3Å; L438-T441 WeakPolarHBondContact O-CB 3.38Å; L438-T441 WeakPolarHBondContact O-CG2 3.4Å; L438-T441 PolarHBondContact O-N 3.37Å; L438-T441 PolarHBondContact O-OG1 3.25Å; P439-T441 PolarHBondContact O-N 3.35Å; T441-T443 VanDerWaalsContact C-N 3.34Å; T441-T443 PolarHBondContact O-N 3.09Å; T441-I444 WeakPolarHBondContact O-CG1 3.17Å; T441-I444 PolarHBondContact O-N 3.01Å; T441-T445 WeakPolarHBondContact O-CB 3.28Å; T441-T445 WeakPolarHBondContact O-CG2 3.18Å; T441-T445 PolarHBondContact O-N 3.16Å; T441-T445 PolarHBondContact O-OG1 3.08Å; T441-I494 HydrophobicContact CG2-CD1 3.96Å
442S96.6Very high96.4Very high76 Ų7629.7 Ų29.753%0.53116%0.164SC..Hα-helixtrans-60.8-42.2176.21770000112P439 N440 T445 S446P439-S442 PolarHBondContact O-N 2.82Å; N440-S442 PolarHBondContact O-N 2.82Å; S442-T445 WeakPolarHBondContact CA-OG1 3.38Å; S442-T445 PolarHBondContact O-OG1 3.06Å; S442-S446 WeakPolarHBondContact O-CB 3.36Å; S442-S446 PolarHBondContact O-N 3.44Å; S442-S446 VanDerWaalsContact O-N 3.07Å
443T94.9Very high96.5Very high77 Ų7727.9 Ų27.947%0.47216%0.158SC..Hα-helixtrans-64.8-45.7179.6-59.30000111.2F148 N440 T441 S446 L447F148-T443 HydrophobicContact CE1-CG2 4.39Å; F148-T443 HydrophobicContact CZ-CG2 3.82Å; N440-T443 PolarHBondContact O-N 3.3Å; T441-T443 VanDerWaalsContact C-N 3.34Å; T441-T443 PolarHBondContact O-N 3.09Å; T443-S446 PolarHBondContact O-N 3.47Å; T443-S446 PolarHBondContact O-OG 2.63Å; T443-L447 PolarHBondContact O-N 3.29Å
444I95.9Very high96.6Very high4 Ų426.4 Ų26.42%0.02115%0.151CC..Hα-helixtrans-73.6-34.2-176.973.5172.3000111.9T441 L447 A448 I487 E490T441-I444 WeakPolarHBondContact O-CG1 3.17Å; T441-I444 PolarHBondContact O-N 3.01Å; I444-L447 WeakPolarHBondContact O-CB 3.42Å; I444-L447 PolarHBondContact O-N 3.41Å; I444-A448 PolarHBondContact O-N 3.33Å; I444-I487 HydrophobicContact CB-CG1 4.33Å; I444-I487 HydrophobicContact CB-CG2 4.38Å; I444-I487 HydrophobicContact CD1-CG2 4.18Å; I444-I487 HydrophobicContact CG1-CG2 4.11Å; I444-I487 VanDerWaalsContact O-CD1 3.29Å; I444-I487 WeakPolarHBondContact O-CD1 3.49Å; I444-E490 HydrophobicContact CD1-CB 4.25Å; I444-E490 HydrophobicContact CD1-CG 3.94Å
445T96.3Very high96.6Very high3 Ų327.7 Ų27.72%0.01816%0.159CC..Hα-helixtrans-68.1-37.5175.847.30000111.6L343 T441 S442 L447 A448 K449L343-T445 HydrophobicContact CD1-CG2 3.4Å; L343-T445 VanDerWaalsContact CD1-CG2 3.4Å; T441-T445 WeakPolarHBondContact O-CB 3.28Å; T441-T445 WeakPolarHBondContact O-CG2 3.18Å; T441-T445 PolarHBondContact O-N 3.16Å; T441-T445 PolarHBondContact O-OG1 3.08Å; S442-T445 WeakPolarHBondContact CA-OG1 3.38Å; S442-T445 PolarHBondContact O-OG1 3.06Å; T445-L447 VanDerWaalsContact C-N 3.27Å; T445-L447 PolarHBondContact O-N 2.93Å; T445-A448 PolarHBondContact O-N 3.49Å; T445-K449 PolarHBondContact O-N 2.91Å
446S95.3Very high96.5Very high43 Ų4330.3 Ų30.330%0.30117%0.172SC..Hα-helixtrans-61.1-35.7171.881.10000112.6S442 T443 A450S442-S446 WeakPolarHBondContact O-CB 3.36Å; S442-S446 PolarHBondContact O-N 3.44Å; S442-S446 VanDerWaalsContact O-N 3.07Å; T443-S446 PolarHBondContact O-N 3.47Å; T443-S446 PolarHBondContact O-OG 2.63Å; S446-A450 WeakPolarHBondContact O-CB 3.49Å; S446-A450 PolarHBondContact O-N 3.27Å
447L96.8Very high96.5Very high0 Ų027.7 Ų27.70%016%0.163CC..Hα-helixtrans-66.5-44.6175.5178.162000111.6F144 F148 P240 L314 T443 I444 T445 A450 A451 I483 I487F144-L447 HydrophobicContact CD1-CD1 3.71Å; F144-L447 HydrophobicContact CE1-CD1 3.49Å; F144-L447 VanDerWaalsContact CE1-CD1 3.49Å; F148-L447 HydrophobicContact CD1-CD1 4.01Å; F148-L447 HydrophobicContact CD1-CD2 4.47Å; F148-L447 HydrophobicContact CD2-CD1 3.92Å; F148-L447 HydrophobicContact CE1-CB 4.28Å; F148-L447 HydrophobicContact CE1-CD1 4.11Å; F148-L447 HydrophobicContact CE1-CD2 4.05Å; F148-L447 HydrophobicContact CE1-CG 4.38Å; F148-L447 HydrophobicContact CE2-CB 3.92Å; F148-L447 HydrophobicContact CE2-CD1 4.03Å; F148-L447 HydrophobicContact CG-CD1 3.91Å; F148-L447 HydrophobicContact CZ-CB 3.72Å; F148-L447 HydrophobicContact CZ-CD1 4.13Å; F148-L447 HydrophobicContact CZ-CD2 4.33Å; F148-L447 HydrophobicContact CZ-CG 4.28Å; P240-L447 HydrophobicContact CB-CD2 4.15Å; L314-L447 HydrophobicContact CD1-CD1 4.5Å; L314-L447 HydrophobicContact CD2-CD1 4.25Å; T443-L447 PolarHBondContact O-N 3.29Å; I444-L447 WeakPolarHBondContact O-CB 3.42Å; I444-L447 PolarHBondContact O-N 3.41Å; T445-L447 VanDerWaalsContact C-N 3.27Å; T445-L447 PolarHBondContact O-N 2.93Å; L447-A450 PolarHBondContact O-N 2.95Å; L447-A451 PolarHBondContact O-N 3.43Å; L447-I483 HydrophobicContact CD1-CG2 4.36Å; L447-I483 HydrophobicContact CD2-CG2 4.17Å; L447-I483 HydrophobicContact CG-CG2 3.8Å; L447-I487 HydrophobicContact CB-CD1 4.1Å; L447-I487 HydrophobicContact CD2-CD1 4.12Å; L447-I487 HydrophobicContact CG-CD1 4Å
448A97.4Very high96.3Very high1 Ų127.5 Ų27.51%0.00816%0.162CC..Hα-helixtrans-59.9-46.7175.300000111.4Y331 I444 T445 A450 A451 C452 T484 I487Y331-A448 HydrophobicContact CD2-CB 3.92Å; Y331-A448 HydrophobicContact CE2-CB 3.84Å; I444-A448 PolarHBondContact O-N 3.33Å; T445-A448 PolarHBondContact O-N 3.49Å; A448-A450 PolarHBondContact O-N 3.29Å; A448-A451 WeakPolarHBondContact O-CB 3.5Å; A448-A451 PolarHBondContact O-N 3.36Å; A448-C452 PolarHBondContact O-N 2.82Å; A448-C452 PolarHBondContact O-SG 2.9Å; A448-T484 HydrophobicContact CB-CG2 4.41Å; A448-I487 HydrophobicContact CB-CB 4.31Å; A448-I487 HydrophobicContact CB-CD1 3.6Å; A448-I487 HydrophobicContact CB-CG2 4.01Å
449K97.1Very high96.1Very high51 Ų5130.4 Ų30.422%0.22218%0.177CC..Hα-helixtrans-60.4-45178.2-175174-174.1163.50111.9A336 E337 E340 T445 A451 C452 L453A336-K449 HydrophobicContact CB-CB 4.41Å; E337-K449 HydrophobicContact CG-CD 4.15Å; E337-K449 WeakPolarHBondContact OE1-CE 3.48Å; E337-K449 IonicContact OE1-NZ 2.68Å; E337-K449 PolarHBondContact OE1-NZ 3.41Å; E340-K449 WeakPolarHBondContact OE2-CD 3.39Å; E340-K449 IonicContact OE2-NZ 2.84Å; E340-K449 PolarHBondContact OE2-NZ 2.69Å; T445-K449 PolarHBondContact O-N 2.91Å; K449-A451 VanDerWaalsContact C-N 3.32Å; K449-A451 PolarHBondContact O-N 2.9Å; K449-C452 PolarHBondContact O-N 3.35Å; K449-L453 HydrophobicContact CG-CD1 4.01Å; K449-L453 HydrophobicContact CG-CG 4.47Å; K449-L453 WeakPolarHBondContact O-CG 3.36Å; K449-L453 PolarHBondContact O-N 3.14Å
450A97.2Very high95.7Very high6 Ų633.4 Ų33.45%0.0518%0.181CC..Hα-helixtrans-60.6-40.4176.600000112.4F143 F144 S446 L447 A448 T454F143-A450 HydrophobicContact CB-CB 4.21Å; F143-A450 WeakPolarHBondContact O-CB 3.38Å; F144-A450 HydrophobicContact CD1-CB 3.97Å; F144-A450 HydrophobicContact CD2-CB 4.27Å; F144-A450 HydrophobicContact CE1-CB 4.17Å; F144-A450 HydrophobicContact CE2-CB 4.47Å; F144-A450 HydrophobicContact CG-CB 4.04Å; F144-A450 HydrophobicContact CZ-CB 4.42Å; S446-A450 WeakPolarHBondContact O-CB 3.49Å; S446-A450 PolarHBondContact O-N 3.27Å; L447-A450 PolarHBondContact O-N 2.95Å; A448-A450 PolarHBondContact O-N 3.29Å; A450-T454 WeakPolarHBondContact O-CB 3.36Å; A450-T454 PolarHBondContact O-N 2.86Å; A450-T454 PolarHBondContact O-OG1 3.42Å
451A97.9Very high95.1Very high0 Ų032.2 Ų32.20%018%0.176CC..Hα-helixtrans-62.2-46.6175.500000111.9F144 L447 A448 K449 T454 V455 A480 I483 T484F144-A451 HydrophobicContact CZ-CB 4.06Å; L447-A451 PolarHBondContact O-N 3.43Å; A448-A451 WeakPolarHBondContact O-CB 3.5Å; A448-A451 PolarHBondContact O-N 3.36Å; K449-A451 VanDerWaalsContact C-N 3.32Å; K449-A451 PolarHBondContact O-N 2.9Å; A451-T454 PolarHBondContact O-N 3.08Å; A451-V455 PolarHBondContact O-N 3.18Å; A451-A480 HydrophobicContact CB-CB 4.02Å; A451-I483 HydrophobicContact CB-CB 4.32Å; A451-I483 HydrophobicContact CB-CG2 4Å; A451-T484 HydrophobicContact CB-CG2 4.15Å
452C97.9Very high94.3Very high9 Ų933.8 Ų33.86%0.06119%0.185CC..Hα-helixtrans-61.9-48.2176.7-65.70000112.5V333 A448 K449 T454 V455 D456V333-C452 HydrophobicContact CB-CB 4.42Å; V333-C452 HydrophobicContact CG2-CB 3.59Å; A448-C452 PolarHBondContact O-N 2.82Å; A448-C452 PolarHBondContact O-SG 2.9Å; K449-C452 PolarHBondContact O-N 3.35Å; C452-T454 VanDerWaalsContact C-N 3.26Å; C452-T454 PolarHBondContact O-N 3.48Å; C452-V455 PolarHBondContact O-N 2.98Å; C452-V455 VanDerWaalsContact O-N 3.12Å; C452-D456 PolarHBondContact O-N 3.42Å
453L97.4Very high93.3Very high53 Ų5335.9 Ų35.928%0.27719%0.194SC..Hα-helixtrans-60.9-36.2179-71.8169.8000112.5F143 V333 K449 D456 E457F143-L453 HydrophobicContact CB-CB 4.32Å; F143-L453 HydrophobicContact CD1-CB 3.68Å; F143-L453 HydrophobicContact CD1-CD1 3.93Å; F143-L453 HydrophobicContact CD1-CG 4.38Å; F143-L453 HydrophobicContact CD2-CB 4.17Å; F143-L453 HydrophobicContact CE1-CB 3.93Å; F143-L453 HydrophobicContact CE1-CD1 4.4Å; F143-L453 HydrophobicContact CE2-CB 4.39Å; F143-L453 WeakPolarHBondContact CE2-O 3.32Å; F143-L453 HydrophobicContact CG-CB 3.8Å; F143-L453 HydrophobicContact CZ-CB 4.27Å; V333-L453 HydrophobicContact CG1-CD2 3.96Å; V333-L453 HydrophobicContact CG2-CD2 3.99Å; V333-L453 HydrophobicContact CG2-CG 4.29Å; K449-L453 HydrophobicContact CG-CD1 4.01Å; K449-L453 HydrophobicContact CG-CG 4.47Å; K449-L453 WeakPolarHBondContact O-CG 3.36Å; K449-L453 PolarHBondContact O-N 3.14Å; L453-D456 PolarHBondContact O-N 3.48Å; L453-E457 WeakPolarHBondContact O-CB 3.38Å; L453-E457 PolarHBondContact O-N 3.09Å
454T96.6Very high92.2Very high1 Ų136.9 Ų36.91%0.00620%0.197CC..Hα-helixtrans-64.2-41.4176.2-58.50000111.2L139 F143 F144 A450 A451 C452 L458 I476L139-T454 HydrophobicContact CG-CG2 4.2Å; F143-T454 WeakPolarHBondContact CD2-OG1 3.47Å; F144-T454 HydrophobicContact CE2-CG2 4.35Å; F144-T454 VanDerWaalsContact CE2-OG1 3.25Å; F144-T454 WeakPolarHBondContact CE2-OG1 3.12Å; A450-T454 WeakPolarHBondContact O-CB 3.36Å; A450-T454 PolarHBondContact O-N 2.86Å; A450-T454 PolarHBondContact O-OG1 3.42Å; A451-T454 PolarHBondContact O-N 3.08Å; C452-T454 VanDerWaalsContact C-N 3.26Å; C452-T454 PolarHBondContact O-N 3.48Å; T454-L458 VanDerWaalsContact O-CB 3.23Å; T454-L458 WeakPolarHBondContact O-CB 3.23Å; T454-L458 PolarHBondContact O-N 3.41Å; T454-I476 HydrophobicContact CG2-CG2 3.97Å
455V95.7Very high90.9Very high27 Ų2742.9 Ų42.916%0.16423%0.225CC..Hα-helixtrans-68.6-41.5177.2171.80000111.8A451 C452 L458 N459 Q477 A480A451-V455 PolarHBondContact O-N 3.18Å; C452-V455 PolarHBondContact O-N 2.98Å; C452-V455 VanDerWaalsContact O-N 3.12Å; V455-L458 WeakPolarHBondContact O-CB 3.32Å; V455-L458 PolarHBondContact O-N 2.87Å; V455-N459 WeakPolarHBondContact O-CB 3.46Å; V455-N459 PolarHBondContact O-N 3.29Å; V455-N459 PolarHBondContact O-ND2 3.23Å; V455-Q477 HydrophobicContact CG1-CG 4.35Å; V455-A480 HydrophobicContact CG2-CB 3.34Å
456D95.1Very high89.7Confident86 Ų8650.3 Ų50.346%0.4626%0.259SS..Hα-helixtrans-62.2-45.4177.5-79.51.5000111.4V333 C452 L453 N459 R460V333-D456 WeakPolarHBondContact CG2-OD2 3.25Å; C452-D456 PolarHBondContact O-N 3.42Å; L453-D456 PolarHBondContact O-N 3.48Å; D456-N459 PolarHBondContact O-N 3.37Å; D456-R460 WeakPolarHBondContact O-CB 3.41Å; D456-R460 PolarHBondContact O-N 3.47Å
457E93.3Very high88.9Confident25 Ų2552.7 Ų52.712%0.11726%0.264CS..Hα-helixtrans-67.1-38.2177.3-176.466.2175.900112.3L139 R142 F143 L453 R460 C461L139-E457 HydrophobicContact CD1-CB 3.94Å; L139-E457 HydrophobicContact CD1-CG 3.61Å; R142-E457 IonicContact CZ-OE1 2.8Å; R142-E457 IonicContact NH1-OE1 3.21Å; R142-E457 PolarHBondContact NH1-OE1 3.48Å; F143-E457 HydrophobicContact CE2-CB 3.7Å; F143-E457 HydrophobicContact CE2-CG 4.08Å; F143-E457 HydrophobicContact CZ-CB 3.97Å; F143-E457 HydrophobicContact CZ-CG 4.28Å; L453-E457 WeakPolarHBondContact O-CB 3.38Å; L453-E457 PolarHBondContact O-N 3.09Å; E457-R460 VanDerWaalsContact CD-NH2 3.32Å; E457-R460 PolarHBondContact O-N 3.39Å; E457-R460 IonicContact OE1-CZ 3.23Å; E457-R460 IonicContact OE1-NE 2.73Å; E457-R460 IonicContact OE1-NH2 2.96Å; E457-R460 PolarHBondContact OE1-NH2 2.87Å; E457-R460 IonicContact OE2-CZ 3.47Å; E457-R460 IonicContact OE2-NE 2.82Å; E457-R460 PolarHBondContact OE2-NE 3.3Å; E457-R460 IonicContact OE2-NH2 2.7Å; E457-R460 PolarHBondContact OE2-NH2 3.36Å; E457-C461 WeakPolarHBondContact O-CB 3.26Å; E457-C461 PolarHBondContact O-N 2.72Å; E457-C461 PolarHBondContact O-SG 3.38Å
458L93.5Very high88.3Confident0 Ų053.6 Ų53.60%027%0.269CS..Hα-helixtrans-57.5-49.7172.9176.666.7000111L139 T454 V455 R460 C461 N462 L468 V473 I476 Q477L139-L458 HydrophobicContact CD2-CB 4.03Å; L139-L458 HydrophobicContact CD2-CD1 3.7Å; L139-L458 HydrophobicContact CD2-CG 4.44Å; T454-L458 VanDerWaalsContact O-CB 3.23Å; T454-L458 WeakPolarHBondContact O-CB 3.23Å; T454-L458 PolarHBondContact O-N 3.41Å; V455-L458 WeakPolarHBondContact O-CB 3.32Å; V455-L458 PolarHBondContact O-N 2.87Å; L458-R460 PolarHBondContact O-N 3.04Å; L458-C461 PolarHBondContact O-N 2.62Å; L458-N462 VanDerWaalsContact O-CB 3.31Å; L458-N462 WeakPolarHBondContact O-CB 3.46Å; L458-N462 PolarHBondContact O-N 3.2Å; L458-L468 HydrophobicContact CD1-CD1 3.4Å; L458-V473 HydrophobicContact CD1-CG2 4.14Å; L458-V473 HydrophobicContact CD2-CG1 4.12Å; L458-V473 HydrophobicContact CG-CG1 4.42Å; L458-I476 HydrophobicContact CD1-CD1 4.43Å; L458-I476 HydrophobicContact CD2-CB 3.88Å; L458-I476 HydrophobicContact CD2-CG2 3.78Å; L458-Q477 HydrophobicContact CD2-CG 3.89Å
459N91.8Very high87.8Confident62 Ų6256.3 Ų56.333%0.33229%0.287SS..Hα-helixtrans-62.5-43.9-179.1-70.1-24.5000110.9V455 D456 N462 T463 Q477V455-N459 WeakPolarHBondContact O-CB 3.46Å; V455-N459 PolarHBondContact O-N 3.29Å; V455-N459 PolarHBondContact O-ND2 3.23Å; D456-N459 PolarHBondContact O-N 3.37Å; N459-N462 PolarHBondContact O-N 3.16Å; N459-T463 PolarHBondContact O-N 2.72Å; N459-T463 PolarHBondContact O-OG1 3.48Å; N459-Q477 PolarHBondContact OD1-NE2 3.03Å
460R89.5Confident87.5Confident122 Ų12259.1 Ų59.146%0.4630%0.301SS..Hα-helixtrans-59.4-50.3176.3-167.4-169.366.568.8-2.5111.9D456 E457 L458 N462 T463 D464D456-R460 WeakPolarHBondContact O-CB 3.41Å; D456-R460 PolarHBondContact O-N 3.47Å; E457-R460 VanDerWaalsContact CD-NH2 3.32Å; E457-R460 PolarHBondContact O-N 3.39Å; E457-R460 IonicContact OE1-CZ 3.23Å; E457-R460 IonicContact OE1-NE 2.73Å; E457-R460 IonicContact OE1-NH2 2.96Å; E457-R460 PolarHBondContact OE1-NH2 2.87Å; E457-R460 IonicContact OE2-CZ 3.47Å; E457-R460 IonicContact OE2-NE 2.82Å; E457-R460 PolarHBondContact OE2-NE 3.3Å; E457-R460 IonicContact OE2-NH2 2.7Å; E457-R460 PolarHBondContact OE2-NH2 3.36Å; L458-R460 PolarHBondContact O-N 3.04Å; R460-N462 VanDerWaalsContact C-N 3.32Å; R460-N462 PolarHBondContact O-N 2.92Å; R460-T463 PolarHBondContact O-N 3.33Å; R460-D464 IonicContact NH1-OD2 3.36Å; R460-D464 PolarHBondContact NH1-OD2 2.89Å; R460-D464 PolarHBondContact O-N 2.76Å
461C84.3Confident87.2Confident25 Ų2561.7 Ų61.717%0.16932%0.318CS..Hα-helixtrans-68.8-29.9-177.8-66.10000113.3E457 L458 D464 E465E457-C461 WeakPolarHBondContact O-CB 3.26Å; E457-C461 PolarHBondContact O-N 2.72Å; E457-C461 PolarHBondContact O-SG 3.38Å; L458-C461 PolarHBondContact O-N 2.62Å; C461-D464 PolarHBondContact O-N 3.37Å; C461-E465 PolarHBondContact O-N 2.82Å
462N78.8Confident86.9Confident39 Ų3962 Ų6221%0.20932%0.32CS..Hα-helixtrans-74-29.1179.7-162.142.6000112.4L458 N459 R460L458-N462 VanDerWaalsContact O-CB 3.31Å; L458-N462 WeakPolarHBondContact O-CB 3.46Å; L458-N462 PolarHBondContact O-N 3.2Å; N459-N462 PolarHBondContact O-N 3.16Å; R460-N462 VanDerWaalsContact C-N 3.32Å; R460-N462 PolarHBondContact O-N 2.92Å
463T77Confident86.7Confident120 Ų12061.6 Ų61.674%0.73632%0.318SS*.Hα-helixtrans-68.1-38.8171.2-56.60000112.1N459 R460N459-T463 PolarHBondContact O-N 2.72Å; N459-T463 PolarHBondContact O-OG1 3.48Å; R460-T463 PolarHBondContact O-N 3.33Å
464D70.5Confident86.6Confident98 Ų9863 Ų6352%0.52433%0.325SS..Hα-helixtrans-82-41.2-170.9-64.1-26.5000113.5R460 C461R460-D464 IonicContact NH1-OD2 3.36Å; R460-D464 PolarHBondContact NH1-OD2 2.89Å; R460-D464 PolarHBondContact O-N 2.76Å; C461-D464 PolarHBondContact O-N 3.37Å
465E69.9Low86.5Confident129 Ų12968 Ų6860%0.60334%0.344SS*.Hα-helixtrans-143.91-164.3-70.6-178.9-11500115.8C461 K467C461-E465 PolarHBondContact O-N 2.82Å; E465-K467 VanDerWaalsContact C-N 3.26Å; E465-K467 HydrophobicContact CB-CD 4.31Å; E465-K467 HydrophobicContact CB-CG 3.8Å; E465-K467 PolarHBondContact O-N 3.44Å; E465-K467 VanDerWaalsContact O-N 3.16Å; E465-K467 WeakPolarHBondContact OE1-CE 3.35Å; E465-K467 IonicContact OE1-NZ 3.09Å; E465-K467 PolarHBondContact OE1-NZ 2.88Å; E465-K467 WeakPolarHBondContact OE2-CE 3.49Å; E465-K467 IonicContact OE2-NZ 2.81Å; E465-K467 PolarHBondContact OE2-NZ 3.26Å
466Q70.1Confident86.5Confident160 Ų16066.8 Ų66.875%0.74834%0.336SS*.  trans41.148.4-175-74.1-170.7-14.200114.2L468Q466-L468 VanDerWaalsContact C-N 3.27Å; Q466-L468 PolarHBondContact O-N 2.96Å
467K78.1Confident86.5Confident92 Ų9265.8 Ų65.840%0.433%0.329SS..  trans-70.3-17.1-174.8-65.3-177.1175.3161.80115.1V135 E465V135-K467 HydrophobicContact CG1-CB 4.15Å; E465-K467 VanDerWaalsContact C-N 3.26Å; E465-K467 HydrophobicContact CB-CD 4.31Å; E465-K467 HydrophobicContact CB-CG 3.8Å; E465-K467 PolarHBondContact O-N 3.44Å; E465-K467 VanDerWaalsContact O-N 3.16Å; E465-K467 WeakPolarHBondContact OE1-CE 3.35Å; E465-K467 IonicContact OE1-NZ 3.09Å; E465-K467 PolarHBondContact OE1-NZ 2.88Å; E465-K467 WeakPolarHBondContact OE2-CE 3.49Å; E465-K467 IonicContact OE2-NZ 2.81Å; E465-K467 PolarHBondContact OE2-NZ 3.26Å
468L84.7Confident86.6Confident20 Ų2068 Ų6811%0.10535%0.347CS..SBendtrans-123.6144.4-172-74.7157.2000109.9V135 R136 L139 L458 Q466 V473V135-L468 HydrophobicContact CG1-CD2 4.5Å; V135-L468 HydrophobicContact CG1-CG 4.45Å; R136-L468 HydrophobicContact CB-CD2 3.59Å; L139-L468 HydrophobicContact CD2-CD1 3.86Å; L458-L468 HydrophobicContact CD1-CD1 3.4Å; Q466-L468 VanDerWaalsContact C-N 3.27Å; Q466-L468 PolarHBondContact O-N 2.96Å; L468-V473 HydrophobicContact CB-CG2 4.03Å
469C88.2Confident86.8Confident58 Ų5868.1 Ų68.139%0.39235%0.348SS..  trans-69.3148.7174.466.50000110.7S471 D472 V473C469-S471 PolarHBondContact O-N 3.16Å; C469-S471 VanDerWaalsContact O-N 3.12Å; C469-S471 PolarHBondContact SG-OG 2.98Å; C469-D472 PolarHBondContact O-N 3.01Å; C469-V473 WeakPolarHBondContact O-CG2 3.47Å; C469-V473 PolarHBondContact O-N 2.85Å; C469-V473 VanDerWaalsContact O-N 3.1Å
470Q89.6Confident87Confident110 Ų11065.4 Ų65.451%0.51434%0.335SS..Hα-helixtrans-59.2-29.5-176.6-169.161.150.100113.1N474Q470-N474 PolarHBondContact NE2-OD1 3.43Å; Q470-N474 WeakPolarHBondContact O-CB 3.29Å; Q470-N474 PolarHBondContact O-N 3.4Å; Q470-N474 PolarHBondContact O-ND2 3.44Å; Q470-N474 PolarHBondContact O-OD1 3.17Å
471S91.6Very high87.4Confident59 Ų5962 Ų6241%0.41333%0.325SS..Hα-helixtrans-64.4-41.9175.658.30000112.4C469 N474 R475C469-S471 PolarHBondContact O-N 3.16Å; C469-S471 VanDerWaalsContact O-N 3.12Å; C469-S471 PolarHBondContact SG-OG 2.98Å; S471-N474 PolarHBondContact O-N 3.39Å; S471-R475 VanDerWaalsContact O-CG 3.3Å; S471-R475 WeakPolarHBondContact O-CG 3.34Å; S471-R475 PolarHBondContact O-N 2.89Å
472D92Very high88Confident6 Ų662 Ų623%0.03232%0.323CS..Hα-helixtrans-73.1-37.5179.9-74.85.7000110.5R136 C469 N474 R475 I476R136-D472 WeakPolarHBondContact CD-OD2 3.4Å; R136-D472 IonicContact CZ-OD2 3.05Å; R136-D472 IonicContact NH1-OD1 3.49Å; R136-D472 IonicContact NH1-OD2 3.99Å; R136-D472 PolarHBondContact NH1-OD2 3.48Å; C469-D472 PolarHBondContact O-N 3.01Å; D472-N474 VanDerWaalsContact C-N 3.34Å; D472-N474 PolarHBondContact O-N 3.17Å; D472-R475 PolarHBondContact O-N 3.27Å; D472-R475 IonicContact OD1-NH1 3.42Å; D472-R475 PolarHBondContact OD1-NH1 3.49Å; D472-I476 VanDerWaalsContact O-CG1 3.32Å; D472-I476 WeakPolarHBondContact O-CG1 3.23Å; D472-I476 PolarHBondContact O-N 2.86Å
473V92.8Very high88.9Confident2 Ų260.1 Ų60.11%0.01231%0.313CS..Hα-helixtrans-54.8-51.3171175.90000110.4L458 L468 C469 R475 I476 Q477L458-V473 HydrophobicContact CD1-CG2 4.14Å; L458-V473 HydrophobicContact CD2-CG1 4.12Å; L458-V473 HydrophobicContact CG-CG1 4.42Å; L468-V473 HydrophobicContact CB-CG2 4.03Å; C469-V473 WeakPolarHBondContact O-CG2 3.47Å; C469-V473 PolarHBondContact O-N 2.85Å; C469-V473 VanDerWaalsContact O-N 3.1Å; V473-R475 VanDerWaalsContact C-N 3.34Å; V473-R475 PolarHBondContact O-N 3.19Å; V473-I476 PolarHBondContact O-N 2.7Å; V473-Q477 WeakPolarHBondContact O-CB 3.48Å; V473-Q477 WeakPolarHBondContact O-CG 3.42Å; V473-Q477 PolarHBondContact O-N 3.35Å
474N94.5Very high89.9Confident81 Ų8154.6 Ų54.643%0.43328%0.28SS..Hα-helixtrans-63.2-38.4-178.9-68.6-9.8000112.5Q470 S471 D472 S478Q470-N474 PolarHBondContact NE2-OD1 3.43Å; Q470-N474 WeakPolarHBondContact O-CB 3.29Å; Q470-N474 PolarHBondContact O-N 3.4Å; Q470-N474 PolarHBondContact O-ND2 3.44Å; Q470-N474 PolarHBondContact O-OD1 3.17Å; S471-N474 PolarHBondContact O-N 3.39Å; D472-N474 VanDerWaalsContact C-N 3.34Å; D472-N474 PolarHBondContact O-N 3.17Å; N474-S478 WeakPolarHBondContact O-CB 3.4Å; N474-S478 PolarHBondContact O-N 3.15Å; N474-S478 PolarHBondContact O-OG 3.08Å
475R95.2Very high91.2Very high108 Ų10850.1 Ų50.141%0.40826%0.255SS..Hα-helixtrans-68-44.1178.3-74.3175.7-178.7132-3.5112.4L157 L158 S471 D472 V473 S478 G479L157-R475 CarbonylContact O-C 3.43Å; L157-R475 WeakPolarHBondContact O-CB 3.44Å; L158-R475 VanDerWaalsContact O-CD 3.31Å; L158-R475 WeakPolarHBondContact O-CD 3.44Å; S471-R475 VanDerWaalsContact O-CG 3.3Å; S471-R475 WeakPolarHBondContact O-CG 3.34Å; S471-R475 PolarHBondContact O-N 2.89Å; D472-R475 PolarHBondContact O-N 3.27Å; D472-R475 IonicContact OD1-NH1 3.42Å; D472-R475 PolarHBondContact OD1-NH1 3.49Å; V473-R475 VanDerWaalsContact C-N 3.34Å; V473-R475 PolarHBondContact O-N 3.19Å; R475-S478 PolarHBondContact O-OG 2.89Å; R475-G479 WeakPolarHBondContact O-CA 3.31Å; R475-G479 PolarHBondContact O-N 2.72Å
476I95.9Very high92.6Very high0 Ų044 Ų440%023%0.227CC..Hα-helixtrans-64.7-44.5178.4-66.2167.1000109.9L139 L157 L158 T454 L458 D472 V473 A480L139-I476 HydrophobicContact CD2-CD1 4.21Å; L157-I476 PolarHBondContact O-N 3.06Å; L158-I476 HydrophobicContact CD2-CD1 4.01Å; L158-I476 HydrophobicContact CD2-CG1 4.13Å; T454-I476 HydrophobicContact CG2-CG2 3.97Å; L458-I476 HydrophobicContact CD1-CD1 4.43Å; L458-I476 HydrophobicContact CD2-CB 3.88Å; L458-I476 HydrophobicContact CD2-CG2 3.78Å; D472-I476 VanDerWaalsContact O-CG1 3.32Å; D472-I476 WeakPolarHBondContact O-CG1 3.23Å; D472-I476 PolarHBondContact O-N 2.86Å; V473-I476 PolarHBondContact O-N 2.7Å; I476-A480 WeakPolarHBondContact O-CB 3.38Å; I476-A480 PolarHBondContact O-N 3.2Å
477Q95.7Very high93.9Very high66 Ų6636.4 Ų36.431%0.30819%0.191SC..Hα-helixtrans-62.7-48.1178-73.3177.6-24.700112.3V455 L458 N459 V473 L481V455-Q477 HydrophobicContact CG1-CG 4.35Å; L458-Q477 HydrophobicContact CD2-CG 3.89Å; N459-Q477 PolarHBondContact OD1-NE2 3.03Å; V473-Q477 WeakPolarHBondContact O-CB 3.48Å; V473-Q477 WeakPolarHBondContact O-CG 3.42Å; V473-Q477 PolarHBondContact O-N 3.35Å; Q477-L481 WeakPolarHBondContact O-CB 3.48Å; Q477-L481 PolarHBondContact O-N 2.95Å
478S95.4Very high94.8Very high70 Ų7032.8 Ų32.849%0.4918%0.176SC..Hα-helixtrans-69-38-18067.10000112.4N474 R475 L481 L482N474-S478 WeakPolarHBondContact O-CB 3.4Å; N474-S478 PolarHBondContact O-N 3.15Å; N474-S478 PolarHBondContact O-OG 3.08Å; R475-S478 PolarHBondContact O-OG 2.89Å; S478-L481 PolarHBondContact O-N 3.04Å; S478-L482 PolarHBondContact O-N 2.98Å
479G96.9Very high95.4Very high3 Ų331.9 Ų31.93%0.03117%0.171CC..Hα-helixtrans-66.4-45.8176.300000112.4R475 L481 L482 I483R475-G479 WeakPolarHBondContact O-CA 3.31Å; R475-G479 PolarHBondContact O-N 2.72Å; G479-L481 VanDerWaalsContact C-N 3.31Å; G479-L481 PolarHBondContact O-N 3.47Å; G479-L482 PolarHBondContact O-N 2.88Å; G479-I483 WeakPolarHBondContact O-CG1 3.43Å; G479-I483 PolarHBondContact O-N 3.21Å
480A97.2Very high95.9Very high5 Ų529.3 Ų29.34%0.04115%0.153CC..Hα-helixtrans-59.8-42.4174.300000111.9A451 V455 I476 L482 I483 T484A451-A480 HydrophobicContact CB-CB 4.02Å; V455-A480 HydrophobicContact CG2-CB 3.34Å; I476-A480 WeakPolarHBondContact O-CB 3.38Å; I476-A480 PolarHBondContact O-N 3.2Å; A480-L482 VanDerWaalsContact C-N 3.33Å; A480-L482 PolarHBondContact O-N 3.36Å; A480-I483 WeakPolarHBondContact O-CB 3.45Å; A480-I483 PolarHBondContact O-N 3.21Å; A480-T484 WeakPolarHBondContact O-CG2 3.4Å; A480-T484 PolarHBondContact O-N 3.34Å; A480-T484 PolarHBondContact O-OG1 3.19Å
481L96.9Very high96.3Very high51 Ų5124.6 Ų24.627%0.26713%0.132SC..Hα-helixtrans-60.4-41.9175.6-177.864.5000112.2D330 Q477 S478 G479 T484 R485D330-L481 HydrophobicContact CB-CD1 4Å; D330-L481 WeakPolarHBondContact OD1-CD1 3.49Å; Q477-L481 WeakPolarHBondContact O-CB 3.48Å; Q477-L481 PolarHBondContact O-N 2.95Å; S478-L481 PolarHBondContact O-N 3.04Å; G479-L481 VanDerWaalsContact C-N 3.31Å; G479-L481 PolarHBondContact O-N 3.47Å; L481-T484 PolarHBondContact O-N 3.12Å; L481-T484 PolarHBondContact O-OG1 2.98Å; L481-R485 HydrophobicContact CD1-CG 4.42Å; L481-R485 WeakPolarHBondContact O-CB 3.38Å; L481-R485 VanDerWaalsContact O-CG 3.25Å; L481-R485 WeakPolarHBondContact O-CG 3.33Å; L481-R485 PolarHBondContact O-N 3.26Å
482L97.4Very high96.5Very high24 Ų2424.2 Ų24.213%0.12613%0.126CC..Hα-helixtrans-66.5-41.2177.8-168.163.7000111.8F156 I172 Y317 V320 S478 G479 A480 S486F156-L482 HydrophobicContact CE2-CD2 4.36Å; F156-L482 HydrophobicContact CZ-CB 4.44Å; F156-L482 HydrophobicContact CZ-CD2 3.91Å; I172-L482 HydrophobicContact CD1-CD1 4.26Å; Y317-L482 HydrophobicContact CD1-CD2 4.3Å; Y317-L482 HydrophobicContact CD1-CG 4.19Å; Y317-L482 WeakPolarHBondContact O-CD2 3.38Å; V320-L482 HydrophobicContact CB-CD1 4.46Å; V320-L482 HydrophobicContact CB-CD2 4.09Å; V320-L482 HydrophobicContact CB-CG 4.37Å; V320-L482 HydrophobicContact CG1-CD1 3.94Å; V320-L482 HydrophobicContact CG1-CD2 4.45Å; V320-L482 HydrophobicContact CG1-CG 4.22Å; V320-L482 WeakPolarHBondContact O-CD2 3.39Å; S478-L482 PolarHBondContact O-N 2.98Å; G479-L482 PolarHBondContact O-N 2.88Å; A480-L482 VanDerWaalsContact C-N 3.33Å; A480-L482 PolarHBondContact O-N 3.36Å; L482-S486 WeakPolarHBondContact O-CB 3.4Å; L482-S486 PolarHBondContact O-N 3.02Å
483I98.1Very high96.8Very high0 Ų024.5 Ų24.50%013%0.127CC..Hα-helixtrans-57.3-54.6173.4-70.1167.2000109.9F144 F156 L157 Y317 L447 A451 G479 A480 R485 S486 I487F144-I483 HydrophobicContact CE1-CD1 4.41Å; F144-I483 HydrophobicContact CZ-CD1 4.43Å; F156-I483 HydrophobicContact CD1-CD1 4.27Å; F156-I483 HydrophobicContact CE1-CD1 4.09Å; F156-I483 HydrophobicContact CE1-CG1 4.07Å; L157-I483 HydrophobicContact CD2-CD1 3.97Å; Y317-I483 HydrophobicContact CD1-CG1 4.42Å; Y317-I483 HydrophobicContact CD2-CG1 3.89Å; Y317-I483 HydrophobicContact CE1-CG1 4.15Å; Y317-I483 HydrophobicContact CE2-CD1 4.44Å; Y317-I483 HydrophobicContact CE2-CG1 3.6Å; Y317-I483 HydrophobicContact CG-CG1 4.29Å; L447-I483 HydrophobicContact CD1-CG2 4.36Å; L447-I483 HydrophobicContact CD2-CG2 4.17Å; L447-I483 HydrophobicContact CG-CG2 3.8Å; A451-I483 HydrophobicContact CB-CB 4.32Å; A451-I483 HydrophobicContact CB-CG2 4Å; G479-I483 WeakPolarHBondContact O-CG1 3.43Å; G479-I483 PolarHBondContact O-N 3.21Å; A480-I483 WeakPolarHBondContact O-CB 3.45Å; A480-I483 PolarHBondContact O-N 3.21Å; I483-R485 VanDerWaalsContact C-N 3.35Å; I483-R485 PolarHBondContact O-N 3.38Å; I483-S486 PolarHBondContact O-N 3.32Å; I483-S486 PolarHBondContact O-OG 3.16Å; I483-I487 HydrophobicContact CG2-CD1 3.66Å; I483-I487 WeakPolarHBondContact O-CD1 3.44Å; I483-I487 WeakPolarHBondContact O-CG1 3.46Å; I483-I487 PolarHBondContact O-N 3.42Å; I483-I487 VanDerWaalsContact O-N 3.16Å
484T97.9Very high97Very high4 Ų424.5 Ų24.53%0.02513%0.127CC..Hα-helixtrans-62.9-41.5-176.854.50000112Y331 A448 A451 A480 L481 S486 I487 Q488Y331-T484 HydrophobicContact CD2-CG2 4.1Å; A448-T484 HydrophobicContact CB-CG2 4.41Å; A451-T484 HydrophobicContact CB-CG2 4.15Å; A480-T484 WeakPolarHBondContact O-CG2 3.4Å; A480-T484 PolarHBondContact O-N 3.34Å; A480-T484 PolarHBondContact O-OG1 3.19Å; L481-T484 PolarHBondContact O-N 3.12Å; L481-T484 PolarHBondContact O-OG1 2.98Å; T484-S486 VanDerWaalsContact C-N 3.33Å; T484-S486 PolarHBondContact O-N 3.42Å; T484-I487 PolarHBondContact O-N 2.94Å; T484-Q488 VanDerWaalsContact O-CG 3.32Å; T484-Q488 WeakPolarHBondContact O-CG 3.23Å; T484-Q488 PolarHBondContact O-N 3.41Å
485R97.8Very high97.1Very high5 Ų523 Ų232%0.01912%0.118CC..Hα-helixtrans-63.4-37.1177.3-74.9178.3176.8-174.51.2112.9I172 F179 S322 S324 G325 D330 L481 I483 I487 Q488 A489I172-R485 HydrophobicContact CD1-CB 4.21Å; I172-R485 HydrophobicContact CG2-CB 4.33Å; F179-R485 HydrophobicContact CD1-CB 4.28Å; F179-R485 HydrophobicContact CD1-CG 3.93Å; F179-R485 HydrophobicContact CD2-CG 4.27Å; F179-R485 HydrophobicContact CE1-CG 3.72Å; F179-R485 HydrophobicContact CE2-CG 4.07Å; F179-R485 HydrophobicContact CG-CB 4.41Å; F179-R485 HydrophobicContact CG-CG 4.2Å; F179-R485 HydrophobicContact CZ-CG 3.79Å; S322-R485 PolarHBondContact OG-NH1 2.78Å; S322-R485 VanDerWaalsContact OG-NH1 3.09Å; S324-R485 PolarHBondContact O-NH1 3.41Å; G325-R485 PolarHBondContact O-NH2 2.9Å; D330-R485 IonicContact OD1-CZ 2.86Å; D330-R485 IonicContact OD1-NE 3.94Å; D330-R485 PolarHBondContact OD1-NE 3.21Å; D330-R485 IonicContact OD1-NH2 3.02Å; D330-R485 PolarHBondContact OD1-NH2 2.93Å; D330-R485 IonicContact OD2-NH2 2.94Å; D330-R485 PolarHBondContact OD2-NH2 3.44Å; D330-R485 VanDerWaalsContact OD2-NH2 3.09Å; L481-R485 HydrophobicContact CD1-CG 4.42Å; L481-R485 WeakPolarHBondContact O-CB 3.38Å; L481-R485 VanDerWaalsContact O-CG 3.25Å; L481-R485 WeakPolarHBondContact O-CG 3.33Å; L481-R485 PolarHBondContact O-N 3.26Å; I483-R485 VanDerWaalsContact C-N 3.35Å; I483-R485 PolarHBondContact O-N 3.38Å; R485-I487 VanDerWaalsContact C-N 3.32Å; R485-Q488 PolarHBondContact O-N 3.42Å; R485-A489 WeakPolarHBondContact O-CB 3.37Å; R485-A489 PolarHBondContact O-N 3Å
486S98.1Very high97.2Very high0 Ų019.6 Ų19.60%011%0.108CC..Hα-helixtrans-64.2-39.5176.174.10000112.1W181 C241 Y317 L482 I483 T484 A489 E490W181-S486 WeakPolarHBondContact CZ2-O 3.45Å; C241-S486 WeakPolarHBondContact CB-OG 3.4Å; Y317-S486 VanDerWaalsContact CE1-OG 3.23Å; Y317-S486 WeakPolarHBondContact CE1-OG 3.1Å; Y317-S486 PolarHBondContact OH-OG 2.86Å; L482-S486 WeakPolarHBondContact O-CB 3.4Å; L482-S486 PolarHBondContact O-N 3.02Å; I483-S486 PolarHBondContact O-N 3.32Å; I483-S486 PolarHBondContact O-OG 3.16Å; T484-S486 VanDerWaalsContact C-N 3.33Å; T484-S486 PolarHBondContact O-N 3.42Å; S486-A489 PolarHBondContact O-N 3.2Å; S486-E490 PolarHBondContact O-N 3.21Å
487I97.8Very high97.1Very high0 Ų020.8 Ų20.80%011%0.114CC..Hα-helixtrans-72.4-40.1179.8-66.5156.9000109.6C241 I444 L447 A448 I483 T484 R485 A489 E490 C491C241-I487 HydrophobicContact CB-CG1 4.02Å; I444-I487 HydrophobicContact CB-CG1 4.33Å; I444-I487 HydrophobicContact CB-CG2 4.38Å; I444-I487 HydrophobicContact CD1-CG2 4.18Å; I444-I487 HydrophobicContact CG1-CG2 4.11Å; I444-I487 VanDerWaalsContact O-CD1 3.29Å; I444-I487 WeakPolarHBondContact O-CD1 3.49Å; L447-I487 HydrophobicContact CB-CD1 4.1Å; L447-I487 HydrophobicContact CD2-CD1 4.12Å; L447-I487 HydrophobicContact CG-CD1 4Å; A448-I487 HydrophobicContact CB-CB 4.31Å; A448-I487 HydrophobicContact CB-CD1 3.6Å; A448-I487 HydrophobicContact CB-CG2 4.01Å; I483-I487 HydrophobicContact CG2-CD1 3.66Å; I483-I487 WeakPolarHBondContact O-CD1 3.44Å; I483-I487 WeakPolarHBondContact O-CG1 3.46Å; I483-I487 PolarHBondContact O-N 3.42Å; I483-I487 VanDerWaalsContact O-N 3.16Å; T484-I487 PolarHBondContact O-N 2.94Å; R485-I487 VanDerWaalsContact C-N 3.32Å; I487-A489 VanDerWaalsContact C-N 3.35Å; I487-A489 PolarHBondContact O-N 3.18Å; I487-E490 PolarHBondContact O-N 3.33Å; I487-C491 WeakPolarHBondContact O-CB 3.35Å; I487-C491 PolarHBondContact O-N 3.26Å; I487-C491 PolarHBondContact O-SG 3.44Å
488Q97.5Very high97.2Very high16 Ų1618.1 Ų18.18%0.07510%0.101CC..Hα-helixtrans-58.9-45.6170.9-71.3177.1-80.800111.9F179 H329 Y331 T484 R485 E490 C491 N492F179-Q488 HydrophobicContact CB-CB 4.06Å; F179-Q488 HydrophobicContact CD2-CB 4.1Å; F179-Q488 HydrophobicContact CG-CB 4.48Å; H329-Q488 PolarHBondContact O-NE2 3.24Å; Y331-Q488 HydrophobicContact CD1-CG 3.7Å; Y331-Q488 VanDerWaalsContact CD1-NE2 3.33Å; Y331-Q488 HydrophobicContact CD2-CG 4.24Å; Y331-Q488 HydrophobicContact CE1-CG 3.33Å; Y331-Q488 HydrophobicContact CE2-CG 3.89Å; Y331-Q488 HydrophobicContact CG-CG 4.16Å; Y331-Q488 VanDerWaalsContact CZ-CG 3.42Å; T484-Q488 VanDerWaalsContact O-CG 3.32Å; T484-Q488 WeakPolarHBondContact O-CG 3.23Å; T484-Q488 PolarHBondContact O-N 3.41Å; R485-Q488 PolarHBondContact O-N 3.42Å; Q488-E490 VanDerWaalsContact C-N 3.31Å; Q488-E490 PolarHBondContact O-N 3.2Å; Q488-C491 PolarHBondContact O-N 3.04Å; Q488-N492 VanDerWaalsContact O-CB 3.31Å; Q488-N492 WeakPolarHBondContact O-CB 3.32Å; Q488-N492 PolarHBondContact O-N 2.87Å; Q488-N492 PolarHBondContact O-ND2 2.98Å; Q488-N492 VanDerWaalsContact O-ND2 3.16Å
489A97.9Very high97.3Very high1 Ų120.8 Ų20.81%0.00810%0.101CC..Hα-helixtrans-59.8-41.1176.300000112.3I172 F179 W181 R485 S486 I487 L493I172-A489 HydrophobicContact CG2-CB 4.2Å; F179-A489 HydrophobicContact CB-CB 4.43Å; F179-A489 WeakPolarHBondContact O-CA 3.16Å; W181-A489 HydrophobicContact CD2-CB 4.04Å; W181-A489 HydrophobicContact CG-CB 4.09Å; R485-A489 WeakPolarHBondContact O-CB 3.37Å; R485-A489 PolarHBondContact O-N 3Å; S486-A489 PolarHBondContact O-N 3.2Å; I487-A489 VanDerWaalsContact C-N 3.35Å; I487-A489 PolarHBondContact O-N 3.18Å; A489-L493 WeakPolarHBondContact O-CB 3.48Å; A489-L493 PolarHBondContact O-N 3.47Å
490E98Very high97.1Very high4 Ų425.2 Ų25.22%0.01912%0.124CC..Hα-helixtrans-66-49.9175.7-173.569.9176.400112.4W181 C241 C243 H278 I444 S486 I487 Q488 N492 L493 I494W181-E490 PolarHBondContact NE1-OE2 3.43Å; C241-E490 WeakPolarHBondContact O-CB 3.46Å; C241-E490 VanDerWaalsContact O-CG 3.26Å; C241-E490 WeakPolarHBondContact O-CG 3.44Å; C243-E490 PolarHBondContact N-OE1 2.89Å; H278-E490 IonicContact NE2-OE1 2.88Å; H278-E490 IonicContact NE2-OE2 3.64Å; H278-E490 PolarHBondContact NE2-OE2 3.43Å; H278-E490 VanDerWaalsContact NE2-OE2 3.17Å; I444-E490 HydrophobicContact CD1-CB 4.25Å; I444-E490 HydrophobicContact CD1-CG 3.94Å; S486-E490 PolarHBondContact O-N 3.21Å; I487-E490 PolarHBondContact O-N 3.33Å; Q488-E490 VanDerWaalsContact C-N 3.31Å; Q488-E490 PolarHBondContact O-N 3.2Å; E490-N492 VanDerWaalsContact C-N 3.27Å; E490-N492 PolarHBondContact O-N 2.97Å; E490-L493 WeakPolarHBondContact O-CB 3.32Å; E490-L493 PolarHBondContact O-N 3.07Å; E490-I494 HydrophobicContact CG-CD1 4.19Å; E490-I494 WeakPolarHBondContact O-CG1 3.46Å; E490-I494 PolarHBondContact O-N 3.01Å
491C97.5Very high97.1Very high11 Ų1126.6 Ų26.67%0.07413%0.129CC..Hα-helixtrans-58.8-41.7178.6-66.30000111.3I487 Q488 I494 M495I487-C491 WeakPolarHBondContact O-CB 3.35Å; I487-C491 PolarHBondContact O-N 3.26Å; I487-C491 PolarHBondContact O-SG 3.44Å; Q488-C491 PolarHBondContact O-N 3.04Å; C491-I494 PolarHBondContact O-N 2.94Å; C491-M495 WeakPolarHBondContact O-CG 3.31Å; C491-M495 PolarHBondContact O-N 3.29Å
492N97Very high97.1Very high51 Ų5126 Ų2627%0.27312%0.124SC..Hα-helixtrans-65.5-38175.6-70.9-24.6000112F179 Q488 E490 M495 N496F179-N492 PolarHBondContact O-ND2 3.2Å; Q488-N492 VanDerWaalsContact O-CB 3.31Å; Q488-N492 WeakPolarHBondContact O-CB 3.32Å; Q488-N492 PolarHBondContact O-N 2.87Å; Q488-N492 PolarHBondContact O-ND2 2.98Å; Q488-N492 VanDerWaalsContact O-ND2 3.16Å; E490-N492 VanDerWaalsContact C-N 3.27Å; E490-N492 PolarHBondContact O-N 2.97Å; N492-M495 PolarHBondContact O-N 2.88Å; N492-N496 WeakPolarHBondContact O-CB 3.47Å; N492-N496 PolarHBondContact O-N 2.63Å; N492-N496 PolarHBondContact O-ND2 3.14Å; N492-N496 VanDerWaalsContact O-ND2 3.17Å
493L97.2Very high97.1Very high13 Ų1329.9 Ų29.97%0.06814%0.143CC..Hα-helixtrans-61.3-48.1174.2176.863.5000111.2P279 A489 E490 M495 N496 Q497P279-L493 HydrophobicContact CG-CD1 4.48Å; P279-L493 HydrophobicContact CG-CD2 4.38Å; A489-L493 WeakPolarHBondContact O-CB 3.48Å; A489-L493 PolarHBondContact O-N 3.47Å; E490-L493 WeakPolarHBondContact O-CB 3.32Å; E490-L493 PolarHBondContact O-N 3.07Å; L493-M495 PolarHBondContact O-N 2.88Å; L493-N496 PolarHBondContact O-N 2.82Å; L493-Q497 HydrophobicContact CD1-CG 4.5Å; L493-Q497 WeakPolarHBondContact O-CG 3.37Å; L493-Q497 PolarHBondContact O-N 2.9Å
494I97.2Very high96.9Very high2 Ų233.4 Ų33.41%0.0116%0.162CC..Hα-helixtrans-59.6-47.2177.8-66.4169.1000110.3C243 L438 T441 E490 C491 N496 Q497 I498C243-I494 HydrophobicContact CB-CD1 4.06Å; L438-I494 HydrophobicContact CD2-CG2 4.11Å; T441-I494 HydrophobicContact CG2-CD1 3.96Å; E490-I494 HydrophobicContact CG-CD1 4.19Å; E490-I494 WeakPolarHBondContact O-CG1 3.46Å; E490-I494 PolarHBondContact O-N 3.01Å; C491-I494 PolarHBondContact O-N 2.94Å; I494-N496 VanDerWaalsContact C-N 3.33Å; I494-N496 PolarHBondContact O-N 2.95Å; I494-Q497 WeakPolarHBondContact O-CB 3.25Å; I494-Q497 PolarHBondContact O-N 3.29Å; I494-I498 HydrophobicContact CG2-CD1 3.94Å; I494-I498 HydrophobicContact CG2-CG1 4.47Å; I494-I498 WeakPolarHBondContact O-CG1 3.35Å; I494-I498 PolarHBondContact O-N 3.01Å
495M97Very high96.9Very high48 Ų4835.7 Ų35.724%0.23617%0.172CC..Hα-helixtrans-64.2-36.2179.3-75.9-53.6-58.100113.5F342 L346 C491 N492 L493 I498 R499F342-M495 HydrophobicContact CE1-CG 4.38Å; F342-M495 HydrophobicContact CE1-SD 4.11Å; F342-M495 HydrophobicContact CZ-CE 4.08Å; F342-M495 HydrophobicContact CZ-CG 4.41Å; F342-M495 HydrophobicContact CZ-SD 3.68Å; L346-M495 HydrophobicContact CD2-SD 3.62Å; C491-M495 WeakPolarHBondContact O-CG 3.31Å; C491-M495 PolarHBondContact O-N 3.29Å; N492-M495 PolarHBondContact O-N 2.88Å; L493-M495 PolarHBondContact O-N 2.88Å; M495-I498 HydrophobicContact SD-CD1 4.13Å; M495-R499 WeakPolarHBondContact O-CB 3.5Å; M495-R499 PolarHBondContact O-N 2.77Å
496N96.1Very high97Very high37 Ų3738.4 Ų38.420%0.19819%0.186CC..Hα-helixtrans-65.2-43.4173.7-72.7-25.5000111.2N492 L493 I494 R499 D500N492-N496 WeakPolarHBondContact O-CB 3.47Å; N492-N496 PolarHBondContact O-N 2.63Å; N492-N496 PolarHBondContact O-ND2 3.14Å; N492-N496 VanDerWaalsContact O-ND2 3.17Å; L493-N496 PolarHBondContact O-N 2.82Å; I494-N496 VanDerWaalsContact C-N 3.33Å; I494-N496 PolarHBondContact O-N 2.95Å; N496-R499 PolarHBondContact O-N 3.36Å; N496-R499 PolarHBondContact OD1-NH1 3.12Å; N496-D500 VanDerWaalsContact O-CG 3.28Å; N496-D500 PolarHBondContact O-N 2.92Å
497Q95.2Very high96.9Very high25 Ų2542.7 Ų42.712%0.11720%0.204CC..Hα-helixtrans-62.2-44.1176-69.3174.54.400112.1F434 L493 I494 R499 D500 E501F434-Q497 HydrophobicContact CZ-CB 4.18Å; L493-Q497 HydrophobicContact CD1-CG 4.5Å; L493-Q497 WeakPolarHBondContact O-CG 3.37Å; L493-Q497 PolarHBondContact O-N 2.9Å; I494-Q497 WeakPolarHBondContact O-CB 3.25Å; I494-Q497 PolarHBondContact O-N 3.29Å; Q497-R499 VanDerWaalsContact C-N 3.34Å; Q497-R499 PolarHBondContact O-N 2.86Å; Q497-D500 PolarHBondContact O-N 2.77Å; Q497-E501 WeakPolarHBondContact O-CB 3.42Å; Q497-E501 WeakPolarHBondContact O-CG 3.45Å; Q497-E501 PolarHBondContact O-N 3.29Å
498I97.1Very high97Very high10 Ų1046.2 Ų46.25%0.05122%0.224CC..Hα-helixtrans-56.5-49.8174.2-73.3173.9000110L346 F434 L438 I494 M495 D500 W502L346-I498 HydrophobicContact CD2-CD1 3.92Å; F434-I498 HydrophobicContact CD1-CD1 4.05Å; F434-I498 HydrophobicContact CD1-CG1 3.64Å; F434-I498 HydrophobicContact CE1-CD1 4.12Å; F434-I498 HydrophobicContact CE1-CG1 3.32Å; F434-I498 HydrophobicContact CE2-CG1 4.3Å; F434-I498 HydrophobicContact CG-CG1 4.27Å; F434-I498 HydrophobicContact CZ-CG1 3.69Å; L438-I498 HydrophobicContact CD2-CD1 4.38Å; I494-I498 HydrophobicContact CG2-CD1 3.94Å; I494-I498 HydrophobicContact CG2-CG1 4.47Å; I494-I498 WeakPolarHBondContact O-CG1 3.35Å; I494-I498 PolarHBondContact O-N 3.01Å; M495-I498 HydrophobicContact SD-CD1 4.13Å; I498-D500 PolarHBondContact O-N 3.49Å; I498-W502 HydrophobicContact CG1-CZ2 4.46Å; I498-W502 HydrophobicContact CG2-CD2 3.66Å; I498-W502 HydrophobicContact CG2-CE3 3.84Å; I498-W502 HydrophobicContact CG2-CG 4.07Å; I498-W502 HydrophobicContact CG2-CH2 4.33Å; I498-W502 HydrophobicContact CG2-CZ2 4.18Å; I498-W502 HydrophobicContact CG2-CZ3 4.17Å; I498-W502 WeakPolarHBondContact O-CB 3.22Å; I498-W502 VanDerWaalsContact O-CG 3.28Å; I498-W502 PolarHBondContact O-N 2.83Å
499R97.3Very high97Very high127 Ų12746.9 Ų46.948%0.47923%0.225SC..Hα-helixtrans-58.9-49.9-179.6-168.6-175.3-56.5114.82.9111.8M495 N496 Q497 I503M495-R499 WeakPolarHBondContact O-CB 3.5Å; M495-R499 PolarHBondContact O-N 2.77Å; N496-R499 PolarHBondContact O-N 3.36Å; N496-R499 PolarHBondContact OD1-NH1 3.12Å; Q497-R499 VanDerWaalsContact C-N 3.34Å; Q497-R499 PolarHBondContact O-N 2.86Å; R499-I503 HydrophobicContact CG-CD1 3.65Å; R499-I503 WeakPolarHBondContact O-CB 3.34Å; R499-I503 WeakPolarHBondContact O-CD1 3.48Å; R499-I503 WeakPolarHBondContact O-CG1 3.37Å; R499-I503 PolarHBondContact O-N 2.81Å
500D93.8Very high97Very high96 Ų9651.7 Ų51.751%0.51325%0.251SS..Hα-helixtrans-66.1-40.8-175.5-68.8-14.5000112.1N496 Q497 I498 N504N496-D500 VanDerWaalsContact O-CG 3.28Å; N496-D500 PolarHBondContact O-N 2.92Å; Q497-D500 PolarHBondContact O-N 2.77Å; I498-D500 PolarHBondContact O-N 3.49Å; D500-N504 PolarHBondContact O-ND2 3.3Å
501E95.6Very high97Very high34 Ų3457.1 Ų57.116%0.15928%0.276CS..Hα-helixtrans-81.3-45.9-176.9-68.8-172.3-131.500112.6R274 C430 Q497 N504 K505R274-E501 IonicContact CZ-OE1 3.33Å; R274-E501 VanDerWaalsContact CZ-OE1 3.23Å; R274-E501 IonicContact NH1-OE1 2.88Å; R274-E501 PolarHBondContact NH1-OE1 3.15Å; R274-E501 IonicContact NH2-OE1 2.86Å; R274-E501 PolarHBondContact NH2-OE1 3.18Å; R274-E501 IonicContact NH2-OE2 3.55Å; R274-E501 PolarHBondContact NH2-OE2 3.31Å; C430-E501 PolarHBondContact SG-OE2 3.41Å; Q497-E501 WeakPolarHBondContact O-CB 3.42Å; Q497-E501 WeakPolarHBondContact O-CG 3.45Å; Q497-E501 PolarHBondContact O-N 3.29Å; E501-N504 PolarHBondContact O-N 3.13Å; E501-K505 HydrophobicContact CB-CD 4.32Å; E501-K505 VanDerWaalsContact O-CB 3.3Å; E501-K505 WeakPolarHBondContact O-CB 3.45Å; E501-K505 WeakPolarHBondContact O-CD 3.31Å; E501-K505 WeakPolarHBondContact O-CG 3.27Å; E501-K505 PolarHBondContact O-N 3.23Å
502W97.2Very high97Very high38 Ų3857.6 Ų57.614%0.14428%0.278CS..Hα-helixtrans-71.6-39.5-172.7-69.119.4000111.7T350 L353 L431 F434 I498 N504 K505 I506T350-W502 HydrophobicContact CG2-CH2 3.93Å; T350-W502 HydrophobicContact CG2-CZ2 3.8Å; T350-W502 WeakPolarHBondContact OG1-CH2 3.47Å; L353-W502 HydrophobicContact CD2-CZ3 4.48Å; L431-W502 HydrophobicContact CD2-CZ2 4.14Å; F434-W502 HydrophobicContact CB-CZ2 4.29Å; F434-W502 HydrophobicContact CD2-CZ2 4.34Å; F434-W502 AromaticContact CD2-NE1 3.24Å; F434-W502 AromaticContact CE2-NE1 3.43Å; F434-W502 HydrophobicContact CG-CZ2 4.35Å; I498-W502 HydrophobicContact CG1-CZ2 4.46Å; I498-W502 HydrophobicContact CG2-CD2 3.66Å; I498-W502 HydrophobicContact CG2-CE3 3.84Å; I498-W502 HydrophobicContact CG2-CG 4.07Å; I498-W502 HydrophobicContact CG2-CH2 4.33Å; I498-W502 HydrophobicContact CG2-CZ2 4.18Å; I498-W502 HydrophobicContact CG2-CZ3 4.17Å; I498-W502 WeakPolarHBondContact O-CB 3.22Å; I498-W502 VanDerWaalsContact O-CG 3.28Å; I498-W502 PolarHBondContact O-N 2.83Å; W502-N504 VanDerWaalsContact C-N 3.28Å; W502-N504 PolarHBondContact O-N 3.3Å; W502-K505 PolarHBondContact O-N 2.99Å; W502-I506 HydrophobicContact CB-CD1 4.04Å; W502-I506 WeakPolarHBondContact O-CB 3.38Å; W502-I506 WeakPolarHBondContact O-CG1 3.22Å; W502-I506 PolarHBondContact O-N 3.26Å
503I97.4Very high97Very high105 Ų10556 Ų5654%0.53827%0.269SS..Hα-helixtrans-55-48.3177.3-73174.8000110.3R499 K507R499-I503 HydrophobicContact CG-CD1 3.65Å; R499-I503 WeakPolarHBondContact O-CB 3.34Å; R499-I503 WeakPolarHBondContact O-CD1 3.48Å; R499-I503 WeakPolarHBondContact O-CG1 3.37Å; R499-I503 PolarHBondContact O-N 2.81Å; I503-K507 WeakPolarHBondContact O-CB 3.03Å; I503-K507 PolarHBondContact O-N 3.41Å; I503-K507 VanDerWaalsContact O-N 3.16Å
504N95.4Very high97Very high74 Ų7457.5 Ų57.540%0.39628%0.282SS..Hα-helixtrans-73.3-48.5-177.1-71.9-55.5000112D500 E501 W502 I506 K507 D508D500-N504 PolarHBondContact O-ND2 3.3Å; E501-N504 PolarHBondContact O-N 3.13Å; W502-N504 VanDerWaalsContact C-N 3.28Å; W502-N504 PolarHBondContact O-N 3.3Å; N504-I506 PolarHBondContact O-N 3.39Å; N504-K507 WeakPolarHBondContact O-CB 3.43Å; N504-K507 PolarHBondContact O-N 3.43Å; N504-K507 PolarHBondContact OD1-NZ 3.2Å; N504-K507 VanDerWaalsContact OD1-NZ 3.11Å; N504-D508 WeakPolarHBondContact O-CB 3.48Å; N504-D508 PolarHBondContact O-N 3.42Å
505K97.8Very high97Very high53 Ų5365 Ų6523%0.2331%0.311CS..Hα-helixtrans-65.6-38.3-177.3-68.4170.7-177.7-69.40112.5N426 L427 C430 E501 W502 Y509N426-K505 PolarHBondContact O-NZ 2.83Å; L427-K505 HydrophobicContact CD1-CB 4.14Å; C430-K505 HydrophobicContact CB-CD 3.4Å; C430-K505 VanDerWaalsContact CB-CD 3.4Å; C430-K505 WeakPolarHBondContact SG-CD 3.49Å; E501-K505 HydrophobicContact CB-CD 4.32Å; E501-K505 VanDerWaalsContact O-CB 3.3Å; E501-K505 WeakPolarHBondContact O-CB 3.45Å; E501-K505 WeakPolarHBondContact O-CD 3.31Å; E501-K505 WeakPolarHBondContact O-CG 3.27Å; E501-K505 PolarHBondContact O-N 3.23Å; W502-K505 PolarHBondContact O-N 2.99Å; K505-Y509 WeakPolarHBondContact O-CB 2.69Å; K505-Y509 PolarHBondContact O-N 3.39Å
506I98.2Very high96.9Very high61 Ų6164.3 Ų64.331%0.31331%0.306SS..Hα-helixtrans-69.7-42.3176.3-65.4171000110.4L427 W502 N504 D508 Y509 L510L427-I506 HydrophobicContact CD1-CG1 3.85Å; W502-I506 HydrophobicContact CB-CD1 4.04Å; W502-I506 WeakPolarHBondContact O-CB 3.38Å; W502-I506 WeakPolarHBondContact O-CG1 3.22Å; W502-I506 PolarHBondContact O-N 3.26Å; N504-I506 PolarHBondContact O-N 3.39Å; I506-D508 PolarHBondContact O-N 2.97Å; I506-Y509 WeakPolarHBondContact O-CB 3.43Å; I506-Y509 PolarHBondContact O-N 2.95Å; I506-L510 HydrophobicContact CG2-CD1 3.98Å; I506-L510 HydrophobicContact CG2-CG 4.26Å; I506-L510 WeakPolarHBondContact O-CB 3.44Å; I506-L510 VanDerWaalsContact O-CG 3.27Å; I506-L510 WeakPolarHBondContact O-CG 3.43Å; I506-L510 PolarHBondContact O-N 3.35Å
507K97.9Very high97Very high90 Ų9068 Ų6839%0.39132%0.318SS..Hα-helixtrans-57.2-49.7174.1174.4-159.373.5-165.30111.3I503 N504 Y509 L510 H511I503-K507 WeakPolarHBondContact O-CB 3.03Å; I503-K507 PolarHBondContact O-N 3.41Å; I503-K507 VanDerWaalsContact O-N 3.16Å; N504-K507 WeakPolarHBondContact O-CB 3.43Å; N504-K507 PolarHBondContact O-N 3.43Å; N504-K507 PolarHBondContact OD1-NZ 3.2Å; N504-K507 VanDerWaalsContact OD1-NZ 3.11Å; K507-Y509 VanDerWaalsContact C-N 3.34Å; K507-Y509 PolarHBondContact O-N 3.49Å; K507-L510 PolarHBondContact O-N 2.92Å; K507-H511 PolarHBondContact O-N 3Å; K507-H511 PolarHBondContact O-ND1 2.91Å
508D98.2Very high97Very high75 Ų7573.1 Ų73.140%0.40134%0.342SS..Hα-helixtrans-65-40.9-179.4-63-19000111A423 N504 I506 H511 D512A423-D508 HydrophobicContact CB-CB 4.49Å; N504-D508 WeakPolarHBondContact O-CB 3.48Å; N504-D508 PolarHBondContact O-N 3.42Å; I506-D508 PolarHBondContact O-N 2.97Å; D508-H511 PolarHBondContact O-N 2.62Å; D508-D512 VanDerWaalsContact O-CB 3.27Å; D508-D512 WeakPolarHBondContact O-CB 3.34Å; D508-D512 PolarHBondContact O-N 3.02Å
509Y98Very high97Very high29 Ų2976.7 Ų76.711%0.11436%0.359CS..Hα-helixtrans-56.9-48.2172.2170.6-107000112.6H361 L427 K505 I506 K507 D512 Q513H361-Y509 AromaticContact CE1-CE2 3.95Å; H361-Y509 AromaticContact NE2-CE2 3.28Å; H361-Y509 VanDerWaalsContact NE2-CE2 3.28Å; H361-Y509 WeakPolarHBondContact NE2-CE2 3.44Å; H361-Y509 AromaticContact NE2-CZ 3.58Å; H361-Y509 PolarHBondContact NE2-OH 3.26Å; L427-Y509 HydrophobicContact CD2-CD1 3.66Å; L427-Y509 HydrophobicContact CD2-CD2 3.9Å; L427-Y509 HydrophobicContact CD2-CE1 4.23Å; L427-Y509 HydrophobicContact CD2-CE2 4.44Å; L427-Y509 HydrophobicContact CD2-CG 3.46Å; L427-Y509 VanDerWaalsContact CD2-CG 3.46Å; K505-Y509 WeakPolarHBondContact O-CB 2.69Å; K505-Y509 PolarHBondContact O-N 3.39Å; I506-Y509 WeakPolarHBondContact O-CB 3.43Å; I506-Y509 PolarHBondContact O-N 2.95Å; K507-Y509 VanDerWaalsContact C-N 3.34Å; K507-Y509 PolarHBondContact O-N 3.49Å; Y509-D512 WeakPolarHBondContact O-CB 3.31Å; Y509-D512 PolarHBondContact O-N 3.43Å; Y509-Q513 HydrophobicContact CD1-CG 4.38Å; Y509-Q513 HydrophobicContact CD2-CG 4.09Å; Y509-Q513 HydrophobicContact CE1-CG 3.93Å; Y509-Q513 HydrophobicContact CE2-CG 3.58Å; Y509-Q513 HydrophobicContact CG-CG 4.46Å; Y509-Q513 WeakPolarHBondContact O-CG 3.46Å; Y509-Q513 PolarHBondContact O-N 3Å
510L98.3Very high97Very high103 Ų10371.5 Ų71.554%0.53934%0.34SS..Hα-helixtrans-66.2-42.1-178.4-70.5173.9000112.4I506 K507 D512 Q513 A514I506-L510 HydrophobicContact CG2-CD1 3.98Å; I506-L510 HydrophobicContact CG2-CG 4.26Å; I506-L510 WeakPolarHBondContact O-CB 3.44Å; I506-L510 VanDerWaalsContact O-CG 3.27Å; I506-L510 WeakPolarHBondContact O-CG 3.43Å; I506-L510 PolarHBondContact O-N 3.35Å; K507-L510 PolarHBondContact O-N 2.92Å; L510-D512 VanDerWaalsContact C-N 3.26Å; L510-D512 PolarHBondContact O-N 2.85Å; L510-Q513 PolarHBondContact O-N 3.22Å; L510-A514 PolarHBondContact O-N 2.79Å
511H98.3Very high97.2Very high118 Ų11868.8 Ų68.855%0.54633%0.331SS..Hα-helixtrans-61-39.7173.1-72138.3000111.7K507 D508 A514 R515K507-H511 PolarHBondContact O-N 3Å; K507-H511 PolarHBondContact O-ND1 2.91Å; D508-H511 PolarHBondContact O-N 2.62Å; H511-A514 PolarHBondContact O-N 3.09Å; H511-R515 WeakPolarHBondContact O-CG 3.17Å; H511-R515 PolarHBondContact O-N 2.86Å
512D97.1Very high97.3Very high21 Ų2171.5 Ų71.511%0.11234%0.344CS..Hα-helixtrans-65.7-44.6177.4-168.769.5000112.7S421 A423 D508 Y509 L510 A514 R515 F516S421-D512 WeakPolarHBondContact CB-OD2 3.47Å; S421-D512 PolarHBondContact OG-OD1 3.38Å; S421-D512 PolarHBondContact OG-OD2 2.86Å; A423-D512 HydrophobicContact CB-CB 3.76Å; D508-D512 VanDerWaalsContact O-CB 3.27Å; D508-D512 WeakPolarHBondContact O-CB 3.34Å; D508-D512 PolarHBondContact O-N 3.02Å; Y509-D512 WeakPolarHBondContact O-CB 3.31Å; Y509-D512 PolarHBondContact O-N 3.43Å; L510-D512 VanDerWaalsContact C-N 3.26Å; L510-D512 PolarHBondContact O-N 2.85Å; D512-A514 PolarHBondContact O-N 3.41Å; D512-A514 VanDerWaalsContact C-N 3.32Å; D512-R515 IonicContact OD1-CZ 3.69Å; D512-R515 IonicContact OD1-NH2 2.77Å; D512-R515 PolarHBondContact OD1-NH2 3.2Å; D512-R515 PolarHBondContact O-N 3.23Å; D512-F516 WeakPolarHBondContact O-CB 3.4Å; D512-F516 PolarHBondContact O-N 3.45Å
513Q96.6Very high97.2Very high18 Ų1871.3 Ų71.38%0.08435%0.345CS..Hα-helixtrans-59.8-41.6173.6-68.3-54.2-78.700111.8Y509 L510 F516 Y517Y509-Q513 HydrophobicContact CD1-CG 4.38Å; Y509-Q513 HydrophobicContact CD2-CG 4.09Å; Y509-Q513 HydrophobicContact CE1-CG 3.93Å; Y509-Q513 HydrophobicContact CE2-CG 3.58Å; Y509-Q513 HydrophobicContact CG-CG 4.46Å; Y509-Q513 WeakPolarHBondContact O-CG 3.46Å; Y509-Q513 PolarHBondContact O-N 3Å; L510-Q513 PolarHBondContact O-N 3.22Å; Q513-F516 WeakPolarHBondContact O-CB 3.47Å; Q513-F516 PolarHBondContact O-N 3.29Å; Q513-Y517 WeakPolarHBondContact O-CD2 3.33Å; Q513-Y517 PolarHBondContact O-N 3.06Å
514A97.8Very high97.2Very high43 Ų4369.7 Ų69.736%0.35534%0.336SS..Hα-helixtrans-61-46.3176.200000111.5L510 H511 D512 F516 Y517 H518L510-A514 PolarHBondContact O-N 2.79Å; H511-A514 PolarHBondContact O-N 3.09Å; D512-A514 PolarHBondContact O-N 3.41Å; D512-A514 VanDerWaalsContact C-N 3.32Å; A514-F516 VanDerWaalsContact C-N 3.35Å; A514-F516 PolarHBondContact O-N 2.94Å; A514-Y517 PolarHBondContact O-N 3.15Å; A514-H518 PolarHBondContact O-N 3.1Å; A514-H518 PolarHBondContact O-ND1 2.96Å
515R96.5Very high97.3Very high160 Ų16071.9 Ų71.960%0.60434%0.344SS*.Hα-helixtrans-61-43.6176.4-71.3-175-58.9-172.95112.1H511 D512 Y517 H518 Q519H511-R515 WeakPolarHBondContact O-CG 3.17Å; H511-R515 PolarHBondContact O-N 2.86Å; D512-R515 IonicContact OD1-CZ 3.69Å; D512-R515 IonicContact OD1-NH2 2.77Å; D512-R515 PolarHBondContact OD1-NH2 3.2Å; D512-R515 PolarHBondContact O-N 3.23Å; R515-Y517 PolarHBondContact O-N 2.84Å; R515-H518 PolarHBondContact O-N 3.44Å; R515-Q519 WeakPolarHBondContact O-CB 3.33Å; R515-Q519 PolarHBondContact O-N 3.28Å
516F96Very high97.2Very high33 Ų3375.1 Ų75.115%0.14536%0.355CS..Hα-helixtrans-55.3-48.5176.1168.6-94000111.9I416 H417 D512 Q513 A514 Q519 I520I416-F516 HydrophobicContact CG2-CD2 3.78Å; I416-F516 HydrophobicContact CG2-CE2 3.62Å; H417-F516 AromaticContact CE1-CZ 3.51Å; H417-F516 AromaticContact ND1-CZ 3.59Å; D512-F516 WeakPolarHBondContact O-CB 3.4Å; D512-F516 PolarHBondContact O-N 3.45Å; Q513-F516 WeakPolarHBondContact O-CB 3.47Å; Q513-F516 PolarHBondContact O-N 3.29Å; A514-F516 VanDerWaalsContact C-N 3.35Å; A514-F516 PolarHBondContact O-N 2.94Å; F516-Q519 PolarHBondContact O-N 3.03Å; F516-I520 HydrophobicContact CE1-CD1 3.59Å; F516-I520 HydrophobicContact CE2-CD1 3.97Å; F516-I520 HydrophobicContact CZ-CD1 3.43Å; F516-I520 VanDerWaalsContact CZ-CD1 3.43Å; F516-I520 PolarHBondContact O-N 3.42Å; F516-I520 HydrophobicContact CD1-CD1 4.24Å
517Y96.5Very high97.1Very high114 Ų11472.6 Ų72.645%0.44734%0.343SS..Hα-helixtrans-69.3-39.7179.1-75.7-62.6000113.5Y360 Q513 A514 R515 Q519 I520 A521Y360-Y517 PolarHBondContact OH-OH 3.02Å; Q513-Y517 WeakPolarHBondContact O-CD2 3.33Å; Q513-Y517 PolarHBondContact O-N 3.06Å; A514-Y517 PolarHBondContact O-N 3.15Å; R515-Y517 PolarHBondContact O-N 2.84Å; Y517-Q519 VanDerWaalsContact C-N 3.31Å; Y517-Q519 PolarHBondContact O-N 3.41Å; Y517-I520 PolarHBondContact O-N 3.21Å; Y517-A521 PolarHBondContact O-N 3.31Å
518H97.3Very high97Very high134 Ų13471 Ų7162%0.6235%0.347SS*.Hα-helixtrans-60.6-41.1174.9-70.9126.2000112A514 R515 I520 A521 E522A514-H518 PolarHBondContact O-N 3.1Å; A514-H518 PolarHBondContact O-ND1 2.96Å; R515-H518 PolarHBondContact O-N 3.44Å; H518-I520 VanDerWaalsContact C-N 3.33Å; H518-I520 PolarHBondContact O-N 2.83Å; H518-A521 PolarHBondContact O-N 3.06Å; H518-E522 WeakPolarHBondContact O-CB 3.47Å; H518-E522 PolarHBondContact O-N 3.01Å
519Q96.4Very high96.9Very high85 Ų8572.6 Ų72.640%0.39735%0.351SS..Hα-helixtrans-62-41177.4-171-176.614.700111.8I416 R515 F516 Y517 Q523I416-Q519 HydrophobicContact CD1-CG 3.93Å; R515-Q519 WeakPolarHBondContact O-CB 3.33Å; R515-Q519 PolarHBondContact O-N 3.28Å; F516-Q519 PolarHBondContact O-N 3.03Å; Y517-Q519 VanDerWaalsContact C-N 3.31Å; Y517-Q519 PolarHBondContact O-N 3.41Å; Q519-Q523 WeakPolarHBondContact O-CG 3.35Å; Q519-Q523 PolarHBondContact O-N 2.74Å
520I96.9Very high96.7Very high17 Ų1772.9 Ų72.99%0.08736%0.358CS..Hα-helixtrans-66.4-45.5176.2-68.3175.3000110.8V413 I416 F516 Y517 H518 E522 Q523 I524V413-I520 HydrophobicContact CG1-CD1 4.22Å; V413-I520 HydrophobicContact CG1-CG1 4.22Å; V413-I520 HydrophobicContact CG1-CG2 4.08Å; V413-I520 HydrophobicContact CG2-CG2 4.21Å; I416-I520 HydrophobicContact CD1-CG1 4.4Å; I416-I520 HydrophobicContact CG2-CG1 4.29Å; F516-I520 HydrophobicContact CE1-CD1 3.59Å; F516-I520 HydrophobicContact CE2-CD1 3.97Å; F516-I520 HydrophobicContact CZ-CD1 3.43Å; F516-I520 VanDerWaalsContact CZ-CD1 3.43Å; F516-I520 PolarHBondContact O-N 3.42Å; F516-I520 HydrophobicContact CD1-CD1 4.24Å; Y517-I520 PolarHBondContact O-N 3.21Å; H518-I520 VanDerWaalsContact C-N 3.33Å; H518-I520 PolarHBondContact O-N 2.83Å; I520-E522 PolarHBondContact O-N 3.41Å; I520-Q523 PolarHBondContact O-N 2.8Å; I520-I524 VanDerWaalsContact O-N 3.09Å; I520-I524 PolarHBondContact O-N 2.9Å; I520-I524 HydrophobicContact CG2-CG1 4.48Å; I520-I524 WeakPolarHBondContact O-CG1 3.31Å; I520-I524 HydrophobicContact CG2-CD1 3.78Å
521A97.9Very high96.6Very high40 Ų4072.1 Ų72.133%0.33135%0.351SS..Hα-helixtrans-57.8-48.8179.100000111.4Y517 H518 Q523 I524 E525Y517-A521 PolarHBondContact O-N 3.31Å; H518-A521 PolarHBondContact O-N 3.06Å; A521-Q523 VanDerWaalsContact C-N 3.3Å; A521-Q523 PolarHBondContact O-N 3.09Å; A521-I524 PolarHBondContact O-N 3.47Å; A521-I524 VanDerWaalsContact O-N 3.11Å; A521-E525 WeakPolarHBondContact O-CG 3.26Å; A521-E525 PolarHBondContact O-N 2.83Å
522E97.2Very high96.3Very high91 Ų9172.3 Ų72.343%0.42535%0.352SS..Hα-helixtrans-59.1-40.2178.9-172.3-176-162.100112.3H518 I520 E525 R526H518-E522 WeakPolarHBondContact O-CB 3.47Å; H518-E522 PolarHBondContact O-N 3.01Å; I520-E522 PolarHBondContact O-N 3.41Å; E522-E525 PolarHBondContact O-N 2.7Å; E522-R526 IonicContact OE1-CZ 3.88Å; E522-R526 PolarHBondContact OE2-NH2 2.98Å; E522-R526 IonicContact OE2-NH2 3.17Å; E522-R526 IonicContact OE2-CZ 2.72Å; E522-R526 PolarHBondContact OE1-NH2 3.47Å; E522-R526 IonicContact OE1-NH2 3.47Å; E522-R526 IonicContact OE1-NE 3.71Å; E522-R526 PolarHBondContact O-N 2.8Å; E522-R526 WeakPolarHBondContact O-CG 3.29Å; E522-R526 VanDerWaalsContact O-CG 3.28Å
523Q96.2Very high95.3Very high34 Ų3478.9 Ų78.916%0.15939%0.385CS..Hα-helixtrans-65-39.7177.4-68.4-77-0.800112.1T409 V413 I416 Q519 I520 A521 A527T409-Q523 HydrophobicContact CG2-CB 4.11Å; T409-Q523 VanDerWaalsContact CG2-O 3.22Å; T409-Q523 WeakPolarHBondContact CG2-O 3.47Å; T409-Q523 PolarHBondContact OG1-O 2.93Å; V413-Q523 HydrophobicContact CG2-CB 4.4Å; I416-Q523 HydrophobicContact CD1-CG 4.46Å; Q519-Q523 WeakPolarHBondContact O-CG 3.35Å; Q519-Q523 PolarHBondContact O-N 2.74Å; I520-Q523 PolarHBondContact O-N 2.8Å; A521-Q523 VanDerWaalsContact C-N 3.3Å; A521-Q523 PolarHBondContact O-N 3.09Å; Q523-A527 PolarHBondContact O-N 3.23Å
524I97.1Very high93.8Very high71 Ų7188.4 Ų88.436%0.36444%0.436SS..Hα-helixtrans-71.4-41.8178.3-65.9172.5000110.6T409 F410 I520 A521 R526 A527 A528T409-I524 HydrophobicContact CG2-CG1 4.39Å; F410-I524 HydrophobicContact CE1-CG1 4.46Å; I520-I524 VanDerWaalsContact O-N 3.09Å; I520-I524 PolarHBondContact O-N 2.9Å; I520-I524 HydrophobicContact CG2-CG1 4.48Å; I520-I524 WeakPolarHBondContact O-CG1 3.31Å; I520-I524 HydrophobicContact CG2-CD1 3.78Å; A521-I524 PolarHBondContact O-N 3.47Å; A521-I524 VanDerWaalsContact O-N 3.11Å; I524-R526 PolarHBondContact O-N 3.05Å; I524-A527 VanDerWaalsContact O-N 3.15Å; I524-A527 PolarHBondContact O-N 3.49Å; I524-A527 WeakPolarHBondContact O-CB 3.22Å; I524-A528 PolarHBondContact O-N 3.17Å
525E97.2Very high93.6Very high120 Ų12090.7 Ų90.756%0.56144%0.44SS*.Hα-helixtrans-60.2-44.7176-75.6176.1-176.700111.8A521 E522 A527 A528 Q529A521-E525 WeakPolarHBondContact O-CG 3.26Å; A521-E525 PolarHBondContact O-N 2.83Å; E522-E525 PolarHBondContact O-N 2.7Å; E525-A527 VanDerWaalsContact C-N 3.29Å; E525-A527 PolarHBondContact O-N 3.39Å; E525-A528 WeakPolarHBondContact O-CB 3.38Å; E525-A528 PolarHBondContact O-N 3.16Å; E525-A528 VanDerWaalsContact O-N 3.12Å; E525-Q529 WeakPolarHBondContact O-CG 3.35Å; E525-Q529 PolarHBondContact O-N 3.19Å
526R95.3Very high93.4Very high121 Ų12187 Ų8746%0.45743%0.432SS..Hα-helixtrans-60.4-37.3174.2-71.4175.1-168161.8-0.8112.6E522 I524E522-R526 IonicContact OE1-CZ 3.88Å; E522-R526 PolarHBondContact OE2-NH2 2.98Å; E522-R526 IonicContact OE2-NH2 3.17Å; E522-R526 IonicContact OE2-CZ 2.72Å; E522-R526 PolarHBondContact OE1-NH2 3.47Å; E522-R526 IonicContact OE1-NH2 3.47Å; E522-R526 IonicContact OE1-NE 3.71Å; E522-R526 PolarHBondContact O-N 2.8Å; E522-R526 WeakPolarHBondContact O-CG 3.29Å; E522-R526 VanDerWaalsContact O-CG 3.28Å; I524-R526 PolarHBondContact O-N 3.05Å
527A96.1Very high93.3Very high8 Ų890 Ų907%0.06645%0.448CS..Hα-helixtrans-67.2-40.6174.600000111.6T409 Q523 I524 E525 Q529 S530T409-A527 HydrophobicContact CG2-CB 3.99Å; Q523-A527 PolarHBondContact O-N 3.23Å; I524-A527 VanDerWaalsContact O-N 3.15Å; I524-A527 PolarHBondContact O-N 3.49Å; I524-A527 WeakPolarHBondContact O-CB 3.22Å; E525-A527 VanDerWaalsContact C-N 3.29Å; E525-A527 PolarHBondContact O-N 3.39Å; A527-Q529 PolarHBondContact O-N 2.64Å; A527-S530 PolarHBondContact O-N 3.46Å; A527-S530 PolarHBondContact O-OG 3.01Å; A527-S530 WeakPolarHBondContact O-CB 3.49Å
528A96.7Very high93.1Very high56 Ų5688.6 Ų88.646%0.46345%0.448SS..Hα-helixtrans-62-42.6177.200000112I524 E525 S530 F531I524-A528 PolarHBondContact O-N 3.17Å; E525-A528 WeakPolarHBondContact O-CB 3.38Å; E525-A528 PolarHBondContact O-N 3.16Å; E525-A528 VanDerWaalsContact O-N 3.12Å; A528-S530 PolarHBondContact O-N 2.89Å; A528-S530 VanDerWaalsContact O-N 3.12Å; A528-F531 PolarHBondContact O-N 3.45Å
529Q95.7Very high92.8Very high108 Ų10885.8 Ų85.851%0.50544%0.437SS..Hα-helixtrans-56.2-28.9175.8-72.7168.6-3.900112.8E525 A527 F531 E532E525-Q529 WeakPolarHBondContact O-CG 3.35Å; E525-Q529 PolarHBondContact O-N 3.19Å; A527-Q529 PolarHBondContact O-N 2.64Å; Q529-F531 PolarHBondContact O-N 3.12Å; Q529-F531 VanDerWaalsContact O-N 3.15Å; Q529-E532 WeakPolarHBondContact O-CB 3.49Å; Q529-E532 PolarHBondContact O-N 3.38Å; Q529-E532 VanDerWaalsContact O-N 3.09Å
530S94.2Very high92.6Very high36 Ų3685.8 Ų85.825%0.25244%0.44SS..THydrogen-bonded Turntrans-64.7-17.4176.979.30000114S402 A527 A528S402-S530 WeakPolarHBondContact CA-OG 3.39Å; S402-S530 WeakPolarHBondContact CB-OG 3.3Å; S402-S530 PolarHBondContact OG-O 3.15Å; A527-S530 PolarHBondContact O-N 3.46Å; A527-S530 PolarHBondContact O-OG 3.01Å; A527-S530 WeakPolarHBondContact O-CB 3.49Å; A528-S530 PolarHBondContact O-N 2.89Å; A528-S530 VanDerWaalsContact O-N 3.12Å
531F95.1Very high92.3Very high87 Ų8790.7 Ų90.738%0.38247%0.465SS..THydrogen-bonded Turntrans-93.6-12.8175.8-68.4-90.1000113.4L399 S402 L403 T406 A528 Q529 I533L399-F531 HydrophobicContact CD1-CE1 4.3Å; S402-F531 VanDerWaalsContact CB-CZ 3.44Å; L403-F531 HydrophobicContact CD2-CZ 4.4Å; T406-F531 VanDerWaalsContact OG1-CE2 3.27Å; T406-F531 WeakPolarHBondContact OG1-CE2 3.42Å; A528-F531 PolarHBondContact O-N 3.45Å; Q529-F531 PolarHBondContact O-N 3.12Å; Q529-F531 VanDerWaalsContact O-N 3.15Å; F531-I533 PolarHBondContact O-N 3.33Å
532E92.4Very high91.8Very high122 Ų12294.6 Ų94.657%0.5748%0.475SS*.SBendtrans-62.2134.3-179.3-68.7178.3-175.400110.4K398 Q529 N534K398-E532 PolarHBondContact NZ-O 3.1Å; Q529-E532 WeakPolarHBondContact O-CB 3.49Å; Q529-E532 PolarHBondContact O-N 3.38Å; Q529-E532 VanDerWaalsContact O-N 3.09Å; E532-N534 PolarHBondContact O-N 2.98Å
533I76.8Confident91.4Very high158 Ų15894.9 Ų94.981%0.8148%0.479SS*.  trans-77.1112.9176.9-56.5173.9000106.9F531F531-I533 PolarHBondContact O-N 3.33Å
534N64Low90.9Very high218 Ų218100.5 Ų100.5100%1.16651%0.509SS*.  trans-66.20165.3-73.9-9.4000110.2E532E532-N534 PolarHBondContact O-N 2.98Å

Retrieved 534 of 534 residues in 643.9 ms (Link to these results)

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