Q5UES2_SCHMA Loading...

Serine/threonine-protein kinase PLK

AlphaFold DB , UniProt , Accession Q5UES2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 618 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
1M38.2Very low54.6Low241 Ų241125.5 Ų125.5100%1.18773%0.732SS**  01000-77.9172.1160.600107.6A3M1-A3 VanDerWaalsContact C-N 3.3Å; M1-A3 PolarHBondContact O-N 3.24Å
2A39.5Very low57.5Low104 Ų104115.4 Ų115.486%0.8667%0.673SS**  trans-68.1100.7162.100000105.2N4A2-N4 PolarHBondContact O-N 3.01Å
3A42.7Very low60.2Low89 Ų89111.2 Ų111.274%0.73665%0.652SS**  trans-57114.5167.900000105.3M1 D5M1-A3 VanDerWaalsContact C-N 3.3Å; M1-A3 PolarHBondContact O-N 3.24Å; A3-D5 VanDerWaalsContact C-N 3.29Å; A3-D5 PolarHBondContact O-N 2.96Å
4N43.2Very low62.5Low157 Ų157113.5 Ų113.584%0.8465%0.653SS**  trans-49.1105.7163.6-92.9-22.8000105.4A2 S6A2-N4 PolarHBondContact O-N 3.01Å; N4-S6 PolarHBondContact O-N 3.03Å
5D43.9Very low64.7Low164 Ų164110.1 Ų110.188%0.87764%0.635SS**  trans-60.987.7162.2-114.3-16.7000104.1A3 A7A3-D5 VanDerWaalsContact C-N 3.29Å; A3-D5 PolarHBondContact O-N 2.96Å; D5-A7 VanDerWaalsContact C-N 3.33Å; D5-A7 PolarHBondContact O-N 3.48Å
6S48.5Very low66.7Low102 Ų102103.3 Ų103.371%0.71360%0.595SS**  trans-54.6105.2174.251.10000104.9N4 K8N4-S6 PolarHBondContact O-N 3.03Å; S6-K8 PolarHBondContact O-N 2.65Å
7A58.9Low68.4Low94 Ų94101.2 Ų101.278%0.77759%0.585SS**  trans-51.2112.6-17600000107.6D5D5-A7 VanDerWaalsContact C-N 3.33Å; D5-A7 PolarHBondContact O-N 3.48Å
8K59.8Low69.9Low137 Ų13795.7 Ų95.760%0.59655%0.553SS**  trans-48.7131.1-178.2-70.6-176.5177.4-178.90108.9S6 K10S6-K8 PolarHBondContact O-N 2.65Å; K8-K10 PolarHBondContact O-N 3.5Å
9P64.9Low71.1Confident59 Ų5996.9 Ų96.938%0.38356%0.561SS.*  trans-55.8131.8-17722-32.9000110.4D11 E96P9-D11 PolarHBondContact O-N 3.14Å; P9-E96 WeakPolarHBondContact CD-OE1 3.45Å; P9-E96 WeakPolarHBondContact CD-OE2 3.47Å; P9-E96 WeakPolarHBondContact CG-OE2 3.37Å
10K75.7Confident72.1Confident167 Ų16798.5 Ų98.573%0.72657%0.573SS**SBendtrans-74.6-13.8178.7-71-174.9179.6177.10112.9K8 K38K8-K10 PolarHBondContact O-N 3.5Å; K10-K38 PolarHBondContact O-NZ 2.84Å
11D85.3Confident73.1Confident66 Ų6699.9 Ų99.935%0.35357%0.569SS.*SBendtrans-135.4145.8-171.8-69.3-69.7000110P9 K38 Y40P9-D11 PolarHBondContact O-N 3.14Å; D11-K38 IonicContact OD1-NZ 3.45Å; D11-K38 PolarHBondContact OD1-NZ 3.47Å; D11-K38 IonicContact OD2-NZ 3.63Å; D11-Y40 PolarHBondContact OD1-OH 3.14Å
12P89.4Confident75.7Confident5 Ų597.7 Ų97.73%0.03255%0.552CS.*  trans-66.7156.6177.628-35.4000111.4I16 R27 Y40 V55 F97 Y99P12-I16 HydrophobicContact CB-CD1 4.33Å; P12-R27 VanDerWaalsContact O-CZ 3.3Å; P12-R27 PolarHBondContact O-NH1 3.36Å; P12-Y40 HydrophobicContact CG-CD2 4.14Å; P12-Y40 HydrophobicContact CG-CE2 3.73Å; P12-V55 HydrophobicContact CB-CG1 3.99Å; P12-V55 HydrophobicContact CG-CB 4.44Å; P12-V55 HydrophobicContact CG-CG1 3.95Å; P12-V55 HydrophobicContact CG-CG2 4.23Å; P12-F97 HydrophobicContact CB-CD2 4.47Å; P12-Y99 HydrophobicContact CB-CE1 4.05Å
13P92.5Very high78.3Confident61 Ų6195.6 Ų95.640%0.39652%0.522SS..  trans-61161.1177.927.2-36000112.4V15 I16P13-V15 VanDerWaalsContact C-N 3.3Å; P13-V15 WeakPolarHBondContact CG-O 3.49Å; P13-V15 PolarHBondContact O-N 2.69Å; P13-I16 HydrophobicContact CG-CG1 4.22Å
14E92.6Very high80.9Confident143 Ų14395.4 Ų95.467%0.66851%0.506SS*.SBendtrans-65.6-33.6176.1-67.5-174.4169.800112.8R27E14-R27 WeakPolarHBondContact O-CB 3.21Å; E14-R27 PolarHBondContact O-N 3.07Å
15V96Very high83.5Confident62 Ų6288 Ų8838%0.37647%0.466SS..EExtended strand (participates in β ladder)trans-112.5118.9173-173.60000108.2P13 V17 F25 L26P13-V15 VanDerWaalsContact C-N 3.3Å; P13-V15 WeakPolarHBondContact CG-O 3.49Å; P13-V15 PolarHBondContact O-N 2.69Å; V15-V17 HydrophobicContact CG1-CG2 4.42Å; V15-F25 WeakPolarHBondContact CA-O 3.24Å; V15-L26 HydrophobicContact CG2-CD2 4.07Å
16I96.4Very high86.1Confident1 Ų184 Ų841%0.00544%0.444CS..EExtended strand (participates in β ladder)trans-106.2130.4-179.9-65.3159.2000108.3P12 P13 E24 F25 R27 L42 F92 Y99P12-I16 HydrophobicContact CB-CD1 4.33Å; P13-I16 HydrophobicContact CG-CG1 4.22Å; I16-E24 WeakPolarHBondContact O-CA 3.28Å; I16-F25 HydrophobicContact CB-CB 4.37Å; I16-F25 PolarHBondContact N-O 3.3Å; I16-F25 PolarHBondContact O-N 3.15Å; I16-R27 HydrophobicContact CD1-CB 4.14Å; I16-R27 HydrophobicContact CD1-CG 4.5Å; I16-L42 HydrophobicContact CD1-CD1 4.4Å; I16-L42 HydrophobicContact CD1-CD2 3.58Å; I16-F92 HydrophobicContact CG2-CE2 3.52Å; I16-F92 HydrophobicContact CG2-CZ 3.63Å; I16-Y99 HydrophobicContact CB-CE1 4.37Å; I16-Y99 HydrophobicContact CD1-CD1 4.12Å; I16-Y99 HydrophobicContact CD1-CE1 3.59Å; I16-Y99 HydrophobicContact CG1-CE1 3.82Å; I16-Y99 HydrophobicContact CG2-CD1 3.82Å; I16-Y99 HydrophobicContact CG2-CD2 4.18Å; I16-Y99 HydrophobicContact CG2-CE1 3.6Å; I16-Y99 HydrophobicContact CG2-CE2 3.97Å; I16-Y99 HydrophobicContact CG2-CG 4.11Å
17V95.5Very high88.3Confident69 Ų6982.2 Ų82.242%0.41842%0.422SS..EExtended strand (participates in β ladder)trans-116.8119.4-172.7-173.40000110.8V15 V19 E24V15-V17 HydrophobicContact CG1-CG2 4.42Å; V17-V19 HydrophobicContact CG1-CG2 4.16Å; V17-V19 PolarHBondContact O-N 3.33Å; V17-E24 HydrophobicContact CG1-CG 4.49Å; V17-E24 HydrophobicContact CG2-CG 4.35Å
18D95.3Very high89.8Confident2 Ų279.2 Ų79.21%0.01140%0.4CS..EExtended strand (participates in β ladder)trans-88.994.4164.1-178-15.6000108T20 R21 K22 R23 F25 F92D18-T20 VanDerWaalsContact C-N 3.28Å; D18-T20 PolarHBondContact O-N 2.99Å; D18-T20 WeakPolarHBondContact OD1-CB 3.46Å; D18-T20 PolarHBondContact OD1-N 2.87Å; D18-T20 VanDerWaalsContact OD1-N 3.14Å; D18-R21 PolarHBondContact O-N 2.85Å; D18-R21 PolarHBondContact OD1-N 2.9Å; D18-R21 WeakPolarHBondContact OD2-CB 3.17Å; D18-R21 WeakPolarHBondContact OD2-CD 3.36Å; D18-R21 WeakPolarHBondContact OD2-CG 3.39Å; D18-R21 IonicContact OD2-CZ 3.54Å; D18-R21 IonicContact OD2-NH1 2.74Å; D18-R21 PolarHBondContact OD2-NH1 2.64Å; D18-K22 WeakPolarHBondContact O-CA 3.47Å; D18-K22 PolarHBondContact O-N 3.27Å; D18-R23 HydrophobicContact CB-CB 4.38Å; D18-R23 PolarHBondContact N-O 2.98Å; D18-R23 PolarHBondContact O-N 2.92Å; D18-R23 VanDerWaalsContact O-N 3.07Å; D18-F25 HydrophobicContact CB-CE2 4.29Å; D18-F92 HydrophobicContact CB-CB 4.33Å; D18-F92 HydrophobicContact CB-CD1 3.92Å; D18-F92 HydrophobicContact CB-CD2 3.85Å; D18-F92 HydrophobicContact CB-CE1 4.15Å; D18-F92 HydrophobicContact CB-CE2 4.08Å; D18-F92 HydrophobicContact CB-CG 3.77Å; D18-F92 HydrophobicContact CB-CZ 4.23Å
19V92.1Very high91Very high118 Ų11878.5 Ų78.572%0.71539%0.394SS*.THydrogen-bonded Turntrans-61.1-38.7-179-178.40000111.3V17 R21 K22V17-V19 HydrophobicContact CG1-CG2 4.16Å; V17-V19 PolarHBondContact O-N 3.33Å; V19-R21 PolarHBondContact O-N 3.36Å; V19-K22 PolarHBondContact O-N 3.02Å
20T91.5Very high91.9Very high128 Ų12879.1 Ų79.179%0.78539%0.39SS*.THydrogen-bonded Turntrans-65.1-43-176.7-55.30000111.5D18D18-T20 VanDerWaalsContact C-N 3.28Å; D18-T20 PolarHBondContact O-N 2.99Å; D18-T20 WeakPolarHBondContact OD1-CB 3.46Å; D18-T20 PolarHBondContact OD1-N 2.87Å; D18-T20 VanDerWaalsContact OD1-N 3.14Å
21R92.6Very high92.4Very high129 Ų12972.5 Ų72.549%0.48736%0.363SS..THydrogen-bonded Turntrans-95.80.6179.2-61.4-173-179.882.83.2113.8D18 V19 R23 N91D18-R21 PolarHBondContact O-N 2.85Å; D18-R21 PolarHBondContact OD1-N 2.9Å; D18-R21 WeakPolarHBondContact OD2-CB 3.17Å; D18-R21 WeakPolarHBondContact OD2-CD 3.36Å; D18-R21 WeakPolarHBondContact OD2-CG 3.39Å; D18-R21 IonicContact OD2-CZ 3.54Å; D18-R21 IonicContact OD2-NH1 2.74Å; D18-R21 PolarHBondContact OD2-NH1 2.64Å; V19-R21 PolarHBondContact O-N 3.36Å; R21-R23 VanDerWaalsContact C-N 3.27Å; R21-R23 HydrophobicContact CB-CG 4.23Å; R21-R23 PolarHBondContact O-N 2.86Å; R21-N91 PolarHBondContact NH1-O 3.38Å; R21-N91 VanDerWaalsContact NH1-O 3.1Å
22K92.9Very high92.2Very high194 Ų19470.5 Ų70.584%0.84336%0.358SS*.THydrogen-bonded Turntrans50.845.9-174.7-56.2-177.3179.9-177.50112D18 V19D18-K22 WeakPolarHBondContact O-CA 3.47Å; D18-K22 PolarHBondContact O-N 3.27Å; V19-K22 PolarHBondContact O-N 3.02Å
23R95.4Very high91.8Very high60 Ų6077.8 Ų77.823%0.22639%0.389CS..EExtended strand (participates in β ladder)trans-114141.3177-68.1177.973.6-176.43.5110.2D18 R21 F25 D44 Y51D18-R23 HydrophobicContact CB-CB 4.38Å; D18-R23 PolarHBondContact N-O 2.98Å; D18-R23 PolarHBondContact O-N 2.92Å; D18-R23 VanDerWaalsContact O-N 3.07Å; R21-R23 VanDerWaalsContact C-N 3.27Å; R21-R23 HydrophobicContact CB-CG 4.23Å; R21-R23 PolarHBondContact O-N 2.86Å; R23-F25 HydrophobicContact CB-CE2 3.76Å; R23-F25 HydrophobicContact CB-CZ 3.96Å; R23-D44 IonicContact CZ-OD2 3.95Å; R23-D44 IonicContact NE-OD2 2.98Å; R23-D44 PolarHBondContact NE-OD2 2.89Å; R23-D44 IonicContact NH2-OD2 2.77Å; R23-D44 PolarHBondContact NH2-OD2 3.1Å; R23-Y51 PolarHBondContact NH2-OH 3Å
24E97Very high90.8Very high86 Ų8677 Ų7740%0.40239%0.392SS..EExtended strand (participates in β ladder)trans-117.3135.7173.1-65-179.6-168.500109.6I16 V17 K45I16-E24 WeakPolarHBondContact O-CA 3.28Å; V17-E24 HydrophobicContact CG1-CG 4.49Å; V17-E24 HydrophobicContact CG2-CG 4.35Å; E24-K45 HydrophobicContact CB-CB 4.38Å; E24-K45 HydrophobicContact CB-CD 3.81Å; E24-K45 HydrophobicContact CB-CG 4.35Å; E24-K45 PolarHBondContact O-N 3.29Å; E24-K45 WeakPolarHBondContact OE2-CD 3.11Å; E24-K45 IonicContact OE2-NZ 3.81Å; E24-K45 PolarHBondContact OE2-NZ 2.89Å
25F97.9Very high89.8Confident0 Ų073.7 Ų73.70%040%0.397CS..EExtended strand (participates in β ladder)trans-120132.2179.5-58.8-88.3000110.2V15 I16 D18 R23 L42 V43 D44 Y51 F92 L101V15-F25 WeakPolarHBondContact CA-O 3.24Å; I16-F25 HydrophobicContact CB-CB 4.37Å; I16-F25 PolarHBondContact N-O 3.3Å; I16-F25 PolarHBondContact O-N 3.15Å; D18-F25 HydrophobicContact CB-CE2 4.29Å; R23-F25 HydrophobicContact CB-CE2 3.76Å; R23-F25 HydrophobicContact CB-CZ 3.96Å; F25-L42 HydrophobicContact CB-CB 4.29Å; F25-L42 HydrophobicContact CD1-CB 4.36Å; F25-V43 CarbonylContact C-O 3.57Å; F25-V43 VanDerWaalsContact CA-O 3.26Å; F25-V43 WeakPolarHBondContact CA-O 3.5Å; F25-D44 HydrophobicContact CD1-CB 4.13Å; F25-D44 HydrophobicContact CE1-CB 4.01Å; F25-Y51 HydrophobicContact CE1-CD2 4.25Å; F25-Y51 HydrophobicContact CE1-CE2 4.27Å; F25-F92 HydrophobicContact CD2-CE1 4.37Å; F25-F92 HydrophobicContact CD2-CZ 4.01Å; F25-F92 AromaticContact CE2-CE1 3.93Å; F25-F92 HydrophobicContact CE2-CE1 3.93Å; F25-F92 HydrophobicContact CE2-CZ 4.01Å; F25-L101 HydrophobicContact CE1-CD1 4Å; F25-L101 HydrophobicContact CE1-CD2 4.41Å; F25-L101 HydrophobicContact CE2-CD1 4.2Å; F25-L101 HydrophobicContact CZ-CD1 3.53Å; F25-L101 HydrophobicContact CZ-CD2 4.43Å
26L97.3Very high88.9Confident80 Ų8076.3 Ų76.342%0.41940%0.403SS..EExtended strand (participates in β ladder)trans-80.8127.2165-62.6175.2000108.9V15 G28 L42 V43 K45V15-L26 HydrophobicContact CG2-CD2 4.07Å; L26-G28 PolarHBondContact O-N 2.66Å; L26-L42 WeakPolarHBondContact O-CA 3.36Å; L26-V43 HydrophobicContact CB-CB 4.44Å; L26-V43 PolarHBondContact N-O 2.52Å; L26-V43 PolarHBondContact O-N 2.67Å; L26-K45 HydrophobicContact CD1-CG 4.12Å; L26-K45 HydrophobicContact CD2-CD 3.81Å; L26-K45 HydrophobicContact CD2-CG 4.01Å; L26-K45 HydrophobicContact CG-CD 3.99Å; L26-K45 HydrophobicContact CG-CG 3.59Å
27R95Very high88.5Confident66 Ų6676.6 Ų76.625%0.24941%0.406CS..EExtended strand (participates in β ladder)trans-76.4107.4170.7-174-170.970.41516.4108.9P12 E14 I16 Y40 L42P12-R27 VanDerWaalsContact O-CZ 3.3Å; P12-R27 PolarHBondContact O-NH1 3.36Å; E14-R27 WeakPolarHBondContact O-CB 3.21Å; E14-R27 PolarHBondContact O-N 3.07Å; I16-R27 HydrophobicContact CD1-CB 4.14Å; I16-R27 HydrophobicContact CD1-CG 4.5Å; R27-Y40 HydrophobicContact CG-CD1 3.94Å; R27-Y40 HydrophobicContact CG-CG 4Å; R27-L42 HydrophobicContact CB-CD2 4.27Å; R27-L42 HydrophobicContact CG-CD2 4.34Å
28G90.6Very high88.3Confident30 Ų3075.8 Ų75.831%0.30940%0.397SS..EExtended strand (participates in β ladder)trans-84.2-156.1170.900000112.7L26 E41L26-G28 PolarHBondContact O-N 2.66Å; G28-E41 WeakPolarHBondContact CA-O 3.09Å; G28-E41 PolarHBondContact N-O 2.89Å
29R84.3Confident88.1Confident122 Ų12277.4 Ų77.446%0.4641%0.408SS..EExtended strand (participates in β ladder)trans-56.5151.1-176.265.3-173.5169.3-160.9-3.8113.6L31 Y40 E41R29-L31 HydrophobicContact CG-CD2 4.24Å; R29-Y40 WeakPolarHBondContact O-CA 3.48Å; R29-E41 HydrophobicContact CG-CB 4.08Å; R29-E41 IonicContact CZ-OE2 2.84Å; R29-E41 IonicContact NE-OE2 3.7Å; R29-E41 PolarHBondContact NE-OE2 2.91Å; R29-E41 IonicContact NH2-OE2 2.84Å; R29-E41 PolarHBondContact NH2-OE2 2.87Å; R29-E41 PolarHBondContact O-N 3.38Å
30F85.2Confident88.2Confident72 Ų7272.3 Ų72.332%0.31638%0.376SS..EExtended strand (participates in β ladder)trans-67.8132.2170.3177-112.1000111.3G32 K33 K38 C39 Y40F30-G32 WeakPolarHBondContact CE2-O 3.21Å; F30-G32 WeakPolarHBondContact CZ-O 3.17Å; F30-K33 HydrophobicContact CE2-CB 4.18Å; F30-K33 HydrophobicContact CZ-CB 3.67Å; F30-K38 HydrophobicContact CE2-CB 4.17Å; F30-K38 HydrophobicContact CE2-CG 4.36Å; F30-C39 WeakPolarHBondContact CD2-O 3.49Å; F30-Y40 HydrophobicContact CB-CD1 4.25Å; F30-Y40 HydrophobicContact CB-CE1 4.19Å; F30-Y40 HydrophobicContact CD2-CD1 4.27Å; F30-Y40 AromaticContact CD2-CE1 3.88Å; F30-Y40 HydrophobicContact CD2-CE1 3.88Å
31L85.2Confident88.3Confident28 Ų2866.8 Ų66.815%0.14734%0.341CS..EExtended strand (participates in β ladder)trans-101.7-32.7-178.3-61.2177.8000112.8R29 C39 Y40 E41 A52 L104 R108R29-L31 HydrophobicContact CG-CD2 4.24Å; L31-C39 HydrophobicContact CB-CB 4.09Å; L31-C39 PolarHBondContact N-O 2.86Å; L31-Y40 VanDerWaalsContact CD1-C 3.47Å; L31-Y40 WeakPolarHBondContact CD1-O 3.47Å; L31-E41 HydrophobicContact CD1-CB 4.47Å; L31-E41 HydrophobicContact CD2-CB 4.37Å; L31-E41 HydrophobicContact CG-CB 4.49Å; L31-A52 HydrophobicContact CD1-CB 4.03Å; L31-L104 HydrophobicContact CD1-CD1 3.59Å; L31-L104 HydrophobicContact CD2-CD1 4.38Å; L31-R108 PolarHBondContact O-NH1 3.23Å; L31-R108 VanDerWaalsContact O-NH1 3.14Å
32G80.6Confident88.5Confident25 Ų2560.6 Ų60.626%0.25832%0.318SS..EExtended strand (participates in β ladder)trans164.3167.8-178.600000113F30 C39F30-G32 WeakPolarHBondContact CE2-O 3.21Å; F30-G32 WeakPolarHBondContact CZ-O 3.17Å; G32-C39 PolarHBondContact N-O 2.9Å; G32-C39 PolarHBondContact O-N 2.64Å
33K81.2Confident88.7Confident158 Ų15852.8 Ų52.869%0.68729%0.286SS*.EExtended strand (participates in β ladder)trans-127.2132.7179.9170.2179-179.4-1730110.1F30 K38F30-K33 HydrophobicContact CE2-CB 4.18Å; F30-K33 HydrophobicContact CZ-CB 3.67Å; K33-K38 HydrophobicContact CB-CG 4.47Å; K33-K38 HydrophobicContact CG-CG 4.33Å
34G72.3Confident88.8Confident43 Ų4350.2 Ų50.244%0.44328%0.277SS..  trans-102.1-165.6167.500000111.9A37G34-A37 PolarHBondContact N-O 2.99Å
35G72Confident88.8Confident75 Ų7551.5 Ų51.577%0.77328%0.281SS*.SBendtrans-61.2-48.3-177.300000114.1
36F77.7Confident88.7Confident116 Ų11660.8 Ų60.851%0.50932%0.322SS..SBendtrans-118.2-6.1-178.6-56.6-76.7000113.7A60F36-A60 HydrophobicContact CD1-CB 4.49Å
37A87.9Confident88.6Confident8 Ų860.6 Ų60.67%0.06632%0.324CS..EExtended strand (participates in β ladder)trans-124.9144.5-169.500000111.8G34 K54 V55 I56G34-A37 PolarHBondContact N-O 2.99Å; A37-K54 HydrophobicContact CB-CD 4.24Å; A37-K54 HydrophobicContact CB-CG 3.67Å; A37-V55 CarbonylContact C-O 3.54Å; A37-V55 VanDerWaalsContact CA-O 3.25Å; A37-V55 WeakPolarHBondContact CA-O 3.3Å; A37-I56 HydrophobicContact CB-CG1 3.86Å
38K90.3Very high88.6Confident51 Ų5159.7 Ų59.722%0.22234%0.335CS..EExtended strand (participates in β ladder)trans-112.1138.1166.6-67.8-178.6-178.3170.10108.2K10 D11 F30 K33 Y40 V55K10-K38 PolarHBondContact O-NZ 2.84Å; D11-K38 IonicContact OD1-NZ 3.45Å; D11-K38 PolarHBondContact OD1-NZ 3.47Å; D11-K38 IonicContact OD2-NZ 3.63Å; F30-K38 HydrophobicContact CE2-CB 4.17Å; F30-K38 HydrophobicContact CE2-CG 4.36Å; K33-K38 HydrophobicContact CB-CG 4.47Å; K33-K38 HydrophobicContact CG-CG 4.33Å; K38-Y40 HydrophobicContact CB-CD2 4.39Å; K38-Y40 HydrophobicContact CB-CE2 3.53Å; K38-Y40 HydrophobicContact CD-CE2 4.37Å; K38-Y40 WeakPolarHBondContact CD-OH 2.95Å; K38-V55 PolarHBondContact N-O 3.1Å; K38-V55 WeakPolarHBondContact O-CA 3.26Å; K38-V55 WeakPolarHBondContact O-CB 3.36Å; K38-V55 PolarHBondContact O-N 2.87Å
39C91.8Very high88.9Confident36 Ų3663.2 Ų63.224%0.24334%0.344CS..EExtended strand (participates in β ladder)trans-106.4132.6178.6-63.70000109.8F30 L31 G32 G53F30-C39 WeakPolarHBondContact CD2-O 3.49Å; L31-C39 HydrophobicContact CB-CB 4.09Å; L31-C39 PolarHBondContact N-O 2.86Å; G32-C39 PolarHBondContact N-O 2.9Å; G32-C39 PolarHBondContact O-N 2.64Å; C39-G53 CarbonylContact C-O 3.52Å; C39-G53 VanDerWaalsContact CA-O 3.27Å; C39-G53 WeakPolarHBondContact CA-O 3.42Å
40Y93.3Very high89.5Confident11 Ų1162.8 Ų62.84%0.04335%0.345CS..EExtended strand (participates in β ladder)trans-127154.4176.3-60.4-94.6000110.1D11 P12 R27 R29 F30 L31 K38 G53 V55D11-Y40 PolarHBondContact OD1-OH 3.14Å; P12-Y40 HydrophobicContact CG-CD2 4.14Å; P12-Y40 HydrophobicContact CG-CE2 3.73Å; R27-Y40 HydrophobicContact CG-CD1 3.94Å; R27-Y40 HydrophobicContact CG-CG 4Å; R29-Y40 WeakPolarHBondContact O-CA 3.48Å; F30-Y40 HydrophobicContact CB-CD1 4.25Å; F30-Y40 HydrophobicContact CB-CE1 4.19Å; F30-Y40 HydrophobicContact CD2-CD1 4.27Å; F30-Y40 AromaticContact CD2-CE1 3.88Å; F30-Y40 HydrophobicContact CD2-CE1 3.88Å; L31-Y40 VanDerWaalsContact CD1-C 3.47Å; L31-Y40 WeakPolarHBondContact CD1-O 3.47Å; K38-Y40 HydrophobicContact CB-CD2 4.39Å; K38-Y40 HydrophobicContact CB-CE2 3.53Å; K38-Y40 HydrophobicContact CD-CE2 4.37Å; K38-Y40 WeakPolarHBondContact CD-OH 2.95Å; Y40-G53 PolarHBondContact N-O 3.32Å; Y40-G53 PolarHBondContact O-N 3.25Å; Y40-V55 HydrophobicContact CD2-CB 4.43Å; Y40-V55 HydrophobicContact CD2-CG2 3.83Å; Y40-V55 HydrophobicContact CE2-CB 4.46Å; Y40-V55 HydrophobicContact CE2-CG2 4.29Å
41E94.2Very high90Very high12 Ų1260 Ų606%0.05633%0.333CS..EExtended strand (participates in β ladder)trans-69127.4162.6-176.2169.6126.500107.8G28 R29 L31 V43 K50 Y51 L104G28-E41 WeakPolarHBondContact CA-O 3.09Å; G28-E41 PolarHBondContact N-O 2.89Å; R29-E41 HydrophobicContact CG-CB 4.08Å; R29-E41 IonicContact CZ-OE2 2.84Å; R29-E41 IonicContact NE-OE2 3.7Å; R29-E41 PolarHBondContact NE-OE2 2.91Å; R29-E41 IonicContact NH2-OE2 2.84Å; R29-E41 PolarHBondContact NH2-OE2 2.87Å; R29-E41 PolarHBondContact O-N 3.38Å; L31-E41 HydrophobicContact CD1-CB 4.47Å; L31-E41 HydrophobicContact CD2-CB 4.37Å; L31-E41 HydrophobicContact CG-CB 4.49Å; E41-V43 HydrophobicContact CG-CG2 4.47Å; E41-K50 WeakPolarHBondContact OE1-CD 3.4Å; E41-K50 WeakPolarHBondContact OE1-CE 3.04Å; E41-K50 IonicContact OE1-NZ 2.87Å; E41-K50 PolarHBondContact OE1-NZ 3.23Å; E41-Y51 CarbonylContact C-O 3.6Å; E41-Y51 WeakPolarHBondContact CA-O 3.32Å; E41-L104 HydrophobicContact CG-CD2 4.16Å
42L97Very high90.5Very high0 Ų059.4 Ų59.40%033%0.331CS..EExtended strand (participates in β ladder)trans-116128174.6-61.9-172.2000109I16 F25 L26 R27 K50 Y51 L101I16-L42 HydrophobicContact CD1-CD1 4.4Å; I16-L42 HydrophobicContact CD1-CD2 3.58Å; F25-L42 HydrophobicContact CB-CB 4.29Å; F25-L42 HydrophobicContact CD1-CB 4.36Å; L26-L42 WeakPolarHBondContact O-CA 3.36Å; R27-L42 HydrophobicContact CB-CD2 4.27Å; R27-L42 HydrophobicContact CG-CD2 4.34Å; L42-K50 CarbonylContact O-C 3.55Å; L42-K50 WeakPolarHBondContact O-CA 3.31Å; L42-Y51 PolarHBondContact N-O 3.29Å; L42-Y51 PolarHBondContact O-N 2.92Å; L42-L101 HydrophobicContact CD1-CD2 3.65Å
43V97.3Very high91.3Very high30 Ų3058.2 Ų58.218%0.18232%0.319CS..EExtended strand (participates in β ladder)trans-110.9119.5179.2-170.90000108.9F25 L26 E41 K45 E49 K50F25-V43 CarbonylContact C-O 3.57Å; F25-V43 VanDerWaalsContact CA-O 3.26Å; F25-V43 WeakPolarHBondContact CA-O 3.5Å; L26-V43 HydrophobicContact CB-CB 4.44Å; L26-V43 PolarHBondContact N-O 2.52Å; L26-V43 PolarHBondContact O-N 2.67Å; E41-V43 HydrophobicContact CG-CG2 4.47Å; V43-K45 PolarHBondContact O-N 3.18Å; V43-E49 WeakPolarHBondContact CA-O 3.34Å; V43-K50 HydrophobicContact CG2-CG 4.19Å
44D97.4Very high91.9Very high6 Ų652.1 Ų52.13%0.03229%0.293CS..EExtended strand (participates in β ladder)trans-64.3121.6172.9-177-45.8000109.5R23 F25 K46 T47 G48 E49 Y51R23-D44 IonicContact CZ-OD2 3.95Å; R23-D44 IonicContact NE-OD2 2.98Å; R23-D44 PolarHBondContact NE-OD2 2.89Å; R23-D44 IonicContact NH2-OD2 2.77Å; R23-D44 PolarHBondContact NH2-OD2 3.1Å; F25-D44 HydrophobicContact CD1-CB 4.13Å; F25-D44 HydrophobicContact CE1-CB 4.01Å; D44-K46 PolarHBondContact O-N 3.17Å; D44-K46 WeakPolarHBondContact OD1-CA 3.26Å; D44-K46 WeakPolarHBondContact OD1-CB 3.38Å; D44-K46 PolarHBondContact OD1-N 3.48Å; D44-T47 WeakPolarHBondContact CB-OG1 3.33Å; D44-T47 PolarHBondContact OD1-N 3.3Å; D44-T47 VanDerWaalsContact OD1-N 3.1Å; D44-G48 VanDerWaalsContact O-CA 3.27Å; D44-G48 WeakPolarHBondContact O-CA 3.42Å; D44-G48 PolarHBondContact O-N 3.3Å; D44-E49 PolarHBondContact N-O 2.88Å; D44-Y51 HydrophobicContact CB-CE2 4.18Å
45K96.8Very high93Very high112 Ų11250.3 Ų50.349%0.48727%0.273SS..THydrogen-bonded Turntrans-63.7-28.4-176.8-77.1-179.770.2-168.60113.5E24 L26 V43E24-K45 HydrophobicContact CB-CB 4.38Å; E24-K45 HydrophobicContact CB-CD 3.81Å; E24-K45 HydrophobicContact CB-CG 4.35Å; E24-K45 PolarHBondContact O-N 3.29Å; E24-K45 WeakPolarHBondContact OE2-CD 3.11Å; E24-K45 IonicContact OE2-NZ 3.81Å; E24-K45 PolarHBondContact OE2-NZ 2.89Å; L26-K45 HydrophobicContact CD1-CG 4.12Å; L26-K45 HydrophobicContact CD2-CD 3.81Å; L26-K45 HydrophobicContact CD2-CG 4.01Å; L26-K45 HydrophobicContact CG-CD 3.99Å; L26-K45 HydrophobicContact CG-CG 3.59Å; V43-K45 PolarHBondContact O-N 3.18Å
46K95.5Very high94Very high196 Ų19647 Ų4785%0.85224%0.238SC*.THydrogen-bonded Turntrans-85.1-44-177.4-176.6179.1178.6-179.50111.5D44D44-K46 PolarHBondContact O-N 3.17Å; D44-K46 WeakPolarHBondContact OD1-CA 3.26Å; D44-K46 WeakPolarHBondContact OD1-CB 3.38Å; D44-K46 PolarHBondContact OD1-N 3.48Å
47T95.8Very high94.7Very high75 Ų7543 Ų4346%0.4622%0.222SC..THydrogen-bonded Turntrans-97.7-18.5-174.366.60000113.8D44 E49D44-T47 WeakPolarHBondContact CB-OG1 3.33Å; D44-T47 PolarHBondContact OD1-N 3.3Å; D44-T47 VanDerWaalsContact OD1-N 3.1Å; T47-E49 PolarHBondContact O-N 3.39Å; T47-E49 WeakPolarHBondContact OG1-CB 3.35Å; T47-E49 WeakPolarHBondContact OG1-CG 3.47Å; T47-E49 PolarHBondContact OG1-N 3.08Å; T47-E49 PolarHBondContact OG1-OE2 2.88Å
48G95.2Very high94.8Very high48 Ų4845.6 Ų45.650%0.49523%0.231SC..  trans722.5-171.500000113.8D44D44-G48 VanDerWaalsContact O-CA 3.27Å; D44-G48 WeakPolarHBondContact O-CA 3.42Å; D44-G48 PolarHBondContact O-N 3.3Å
49E95.8Very high94.8Very high104 Ų10446.1 Ų46.149%0.48624%0.241SC..  trans-69.7141.6-179.4-70179.2142.800111.7V43 D44 T47 Y51V43-E49 WeakPolarHBondContact CA-O 3.34Å; D44-E49 PolarHBondContact N-O 2.88Å; T47-E49 PolarHBondContact O-N 3.39Å; T47-E49 WeakPolarHBondContact OG1-CB 3.35Å; T47-E49 WeakPolarHBondContact OG1-CG 3.47Å; T47-E49 PolarHBondContact OG1-N 3.08Å; T47-E49 PolarHBondContact OG1-OE2 2.88Å; E49-Y51 HydrophobicContact CB-CE2 3.66Å; E49-Y51 WeakPolarHBondContact O-CD2 3.31Å; E49-Y51 WeakPolarHBondContact O-CE2 3.41Å; E49-Y51 PolarHBondContact OE2-OH 3.49Å
50K96.1Very high94.5Very high113 Ų11346.1 Ų46.149%0.49124%0.244SC..EExtended strand (participates in β ladder)trans-103.7139.6-177.5-57.9-171.4169.5-153.30111.7E41 L42 V43 L104E41-K50 WeakPolarHBondContact OE1-CD 3.4Å; E41-K50 WeakPolarHBondContact OE1-CE 3.04Å; E41-K50 IonicContact OE1-NZ 2.87Å; E41-K50 PolarHBondContact OE1-NZ 3.23Å; L42-K50 CarbonylContact O-C 3.55Å; L42-K50 WeakPolarHBondContact O-CA 3.31Å; V43-K50 HydrophobicContact CG2-CG 4.19Å; K50-L104 HydrophobicContact CB-CD2 3.79Å
51Y97.1Very high94.2Very high13 Ų1346.2 Ų46.25%0.05125%0.245CC..EExtended strand (participates in β ladder)trans-133.8157.6-178.4-58.4-91.3000110.6R23 F25 E41 L42 D44 E49 Y89R23-Y51 PolarHBondContact NH2-OH 3Å; F25-Y51 HydrophobicContact CE1-CD2 4.25Å; F25-Y51 HydrophobicContact CE1-CE2 4.27Å; E41-Y51 CarbonylContact C-O 3.6Å; E41-Y51 WeakPolarHBondContact CA-O 3.32Å; L42-Y51 PolarHBondContact N-O 3.29Å; L42-Y51 PolarHBondContact O-N 2.92Å; D44-Y51 HydrophobicContact CB-CE2 4.18Å; E49-Y51 HydrophobicContact CB-CE2 3.66Å; E49-Y51 WeakPolarHBondContact O-CD2 3.31Å; E49-Y51 WeakPolarHBondContact O-CE2 3.41Å; E49-Y51 PolarHBondContact OE2-OH 3.49Å; Y51-Y89 AromaticContact CD1-CD2 3.87Å; Y51-Y89 HydrophobicContact CD1-CD2 3.87Å; Y51-Y89 HydrophobicContact CD1-CE2 4.23Å; Y51-Y89 HydrophobicContact CD1-CG 4.07Å; Y51-Y89 AromaticContact CE1-CD1 3.9Å; Y51-Y89 HydrophobicContact CE1-CD1 3.9Å; Y51-Y89 AromaticContact CE1-CD2 3.99Å; Y51-Y89 HydrophobicContact CE1-CD2 3.99Å; Y51-Y89 HydrophobicContact CE1-CE1 4.17Å; Y51-Y89 HydrophobicContact CE1-CE2 4.28Å; Y51-Y89 AromaticContact CE1-CG 3.79Å; Y51-Y89 HydrophobicContact CE1-CG 3.79Å
52A95.8Very high93.8Very high15 Ų1551.3 Ų51.312%0.12428%0.277CS..EExtended strand (participates in β ladder)trans-90.3110.3161.800000108.5L31 L102 L104L31-A52 HydrophobicContact CD1-CB 4.03Å; A52-L102 HydrophobicContact CB-CB 4.29Å; A52-L102 PolarHBondContact N-O 3.45Å; A52-L102 WeakPolarHBondContact O-CB 3.48Å; A52-L102 PolarHBondContact O-N 2.96Å; A52-L104 HydrophobicContact CB-CD1 4.03Å
53G96.1Very high93.4Very high0 Ų057.8 Ų57.80%031%0.305CS..EExtended strand (participates in β ladder)trans-91107.9175.300000111.1C39 Y40 V55 I100C39-G53 CarbonylContact C-O 3.52Å; C39-G53 VanDerWaalsContact CA-O 3.27Å; C39-G53 WeakPolarHBondContact CA-O 3.42Å; Y40-G53 PolarHBondContact N-O 3.32Å; Y40-G53 PolarHBondContact O-N 3.25Å; G53-V55 PolarHBondContact O-N 2.72Å; G53-I100 WeakPolarHBondContact CA-O 3.05Å
54K94.6Very high93Very high30 Ų3061.2 Ų61.213%0.1332%0.319CS..EExtended strand (participates in β ladder)trans-82.4113169.1-177177.4179.5177.50108.1A37 I56 E73 I100 L102A37-K54 HydrophobicContact CB-CD 4.24Å; A37-K54 HydrophobicContact CB-CG 3.67Å; K54-I56 HydrophobicContact CG-CD1 4.14Å; K54-E73 IonicContact NZ-OE1 3.55Å; K54-E73 PolarHBondContact NZ-OE1 3.31Å; K54-E73 IonicContact NZ-OE2 2.95Å; K54-E73 PolarHBondContact NZ-OE2 3.24Å; K54-I100 HydrophobicContact CB-CB 4.23Å; K54-I100 HydrophobicContact CD-CD1 4.47Å; K54-I100 PolarHBondContact N-O 2.95Å; K54-I100 PolarHBondContact O-N 3.35Å; K54-L102 HydrophobicContact CB-CD1 4.4Å
55V94.7Very high92.5Very high5 Ų564.4 Ų64.43%0.0334%0.342CS..EExtended strand (participates in β ladder)trans-107.9122.3-174.4-172.90000109.4P12 A37 K38 Y40 G53 F97 I98 Y99P12-V55 HydrophobicContact CB-CG1 3.99Å; P12-V55 HydrophobicContact CG-CB 4.44Å; P12-V55 HydrophobicContact CG-CG1 3.95Å; P12-V55 HydrophobicContact CG-CG2 4.23Å; A37-V55 CarbonylContact C-O 3.54Å; A37-V55 VanDerWaalsContact CA-O 3.25Å; A37-V55 WeakPolarHBondContact CA-O 3.3Å; K38-V55 PolarHBondContact N-O 3.1Å; K38-V55 WeakPolarHBondContact O-CA 3.26Å; K38-V55 WeakPolarHBondContact O-CB 3.36Å; K38-V55 PolarHBondContact O-N 2.87Å; Y40-V55 HydrophobicContact CD2-CB 4.43Å; Y40-V55 HydrophobicContact CD2-CG2 3.83Å; Y40-V55 HydrophobicContact CE2-CB 4.46Å; Y40-V55 HydrophobicContact CE2-CG2 4.29Å; G53-V55 PolarHBondContact O-N 2.72Å; V55-F97 HydrophobicContact CG1-CB 4.01Å; V55-F97 HydrophobicContact CG1-CD1 3.62Å; V55-F97 HydrophobicContact CG1-CE1 4.4Å; V55-F97 HydrophobicContact CG1-CG 4.01Å; V55-I98 WeakPolarHBondContact CA-O 3.31Å; V55-Y99 HydrophobicContact CB-CD1 4.45Å; V55-Y99 HydrophobicContact CB-CE1 4.48Å; V55-Y99 HydrophobicContact CG1-CD1 4.12Å; V55-Y99 HydrophobicContact CG1-CE1 3.78Å; V55-Y99 HydrophobicContact CG2-CD1 3.8Å; V55-Y99 HydrophobicContact CG2-CE1 3.96Å
56I93Very high92Very high7 Ų761.1 Ų61.14%0.03633%0.329CS..EExtended strand (participates in β ladder)trans-115.3127.1-179.2-55.992.8000108.5A37 K54 K58 L61 F97 I98 I100A37-I56 HydrophobicContact CB-CG1 3.86Å; K54-I56 HydrophobicContact CG-CD1 4.14Å; I56-K58 PolarHBondContact O-N 2.88Å; I56-L61 HydrophobicContact CG2-CD1 3.92Å; I56-L61 HydrophobicContact CG2-CD2 4.36Å; I56-L61 HydrophobicContact CG2-CG 4.09Å; I56-F97 CarbonylContact O-C 3.51Å; I56-F97 VanDerWaalsContact O-CA 3.28Å; I56-F97 WeakPolarHBondContact O-CA 3.49Å; I56-I98 HydrophobicContact CB-CB 4.34Å; I56-I98 HydrophobicContact CD1-CB 4.45Å; I56-I98 HydrophobicContact CD1-CG2 4.49Å; I56-I98 PolarHBondContact N-O 2.93Å; I56-I98 PolarHBondContact O-N 3.15Å; I56-I100 HydrophobicContact CD1-CD1 3.84Å; I56-I100 HydrophobicContact CD1-CG1 4.18Å
57N92Very high91.7Very high32 Ų3255.1 Ų55.117%0.17130%0.302CS..EExtended strand (participates in β ladder)trans-77.1122.7173.7-171-36.5000109.6S59 A60 F97N57-S59 PolarHBondContact O-N 3.27Å; N57-S59 WeakPolarHBondContact OD1-CB 3.21Å; N57-S59 PolarHBondContact OD1-N 3.49Å; N57-S59 PolarHBondContact OD1-OG 3.28Å; N57-A60 HydrophobicContact CB-CB 4.41Å; N57-A60 WeakPolarHBondContact O-CB 3.49Å; N57-A60 PolarHBondContact O-N 3.05Å; N57-F97 HydrophobicContact CB-CD1 4.13Å; N57-F97 HydrophobicContact CB-CE1 3.93Å
58K91.4Very high91.4Very high61 Ų6156.3 Ų56.327%0.26530%0.303SS..G310 helixtrans-60.2-32.2179-70.5-179.6169.7-173.20112I56 A60 L61 E93 D94 E96 I98I56-K58 PolarHBondContact O-N 2.88Å; K58-A60 PolarHBondContact O-N 2.95Å; K58-L61 PolarHBondContact O-N 3.47Å; K58-L61 VanDerWaalsContact O-N 3.1Å; K58-E93 WeakPolarHBondContact CE-OE2 3.38Å; K58-E93 IonicContact NZ-OE1 3.57Å; K58-E93 PolarHBondContact NZ-OE1 3.01Å; K58-E93 IonicContact NZ-OE2 2.68Å; K58-E93 PolarHBondContact NZ-OE2 3.23Å; K58-D94 WeakPolarHBondContact CE-O 3.44Å; K58-D94 PolarHBondContact NZ-O 2.87Å; K58-E96 VanDerWaalsContact CB-O 3.3Å; K58-E96 WeakPolarHBondContact CB-O 3.23Å; K58-E96 WeakPolarHBondContact CG-O 3.41Å; K58-E96 PolarHBondContact N-O 3.11Å; K58-I98 HydrophobicContact CD-CG1 4.43Å; K58-I98 HydrophobicContact CG-CD1 4.26Å; K58-I98 HydrophobicContact CG-CG1 3.92Å
59S89.6Confident90.9Very high62 Ų6260.2 Ų60.243%0.43431%0.306SS..G310 helixtrans-68.1-19.6176.782.40000113.3N57 L61 V62N57-S59 PolarHBondContact O-N 3.27Å; N57-S59 WeakPolarHBondContact OD1-CB 3.21Å; N57-S59 PolarHBondContact OD1-N 3.49Å; N57-S59 PolarHBondContact OD1-OG 3.28Å; S59-L61 VanDerWaalsContact C-N 3.32Å; S59-V62 WeakPolarHBondContact O-CG2 3.3Å
60A86.3Confident90.6Very high36 Ų3656.6 Ų56.630%0.29829%0.29SS..G310 helixtrans-80.4-14.2174.200000112.8F36 N57 K58 V62F36-A60 HydrophobicContact CD1-CB 4.49Å; N57-A60 HydrophobicContact CB-CB 4.41Å; N57-A60 WeakPolarHBondContact O-CB 3.49Å; N57-A60 PolarHBondContact O-N 3.05Å; K58-A60 PolarHBondContact O-N 2.95Å; A60-V62 PolarHBondContact O-N 3.31Å
61L85.5Confident90.4Very high13 Ų1356.6 Ų56.67%0.06829%0.286CS..  trans-95.864.1179.2-62.7177.8000111.2I56 K58 S59 Q66 K67 M70 I98I56-L61 HydrophobicContact CG2-CD1 3.92Å; I56-L61 HydrophobicContact CG2-CD2 4.36Å; I56-L61 HydrophobicContact CG2-CG 4.09Å; K58-L61 PolarHBondContact O-N 3.47Å; K58-L61 VanDerWaalsContact O-N 3.1Å; S59-L61 VanDerWaalsContact C-N 3.32Å; L61-Q66 HydrophobicContact CD2-CB 4.01Å; L61-K67 HydrophobicContact CB-CG 4.05Å; L61-K67 VanDerWaalsContact O-CE 3.22Å; L61-K67 WeakPolarHBondContact O-CE 3.35Å; L61-M70 HydrophobicContact CD1-CE 3.66Å; L61-I98 HydrophobicContact CD1-CD1 4.09Å
62V86.4Confident90.1Very high119 Ų11960 Ų6072%0.72130%0.303SS*.  trans-73.4-40.5-175.9-176.40000111.7S59 A60S59-V62 WeakPolarHBondContact O-CG2 3.3Å; A60-V62 PolarHBondContact O-N 3.31Å
63K88.8Confident90Very high136 Ų13660.6 Ų60.659%0.59130%0.303SS*.SBendtrans-91.8138.5-174.3-59.6-178.6179.6-177.70111S65 Q66 K67K63-S65 PolarHBondContact O-N 3.41Å; K63-Q66 HydrophobicContact CB-CG 4.1Å; K63-Q66 WeakPolarHBondContact O-CB 3.49Å; K63-Q66 PolarHBondContact O-N 3.37Å; K63-K67 PolarHBondContact O-N 3.36Å
64E89.1Confident89.9Confident102 Ų10261.2 Ų61.248%0.47731%0.306SS..Hα-helixtrans-59.7-33.6177-163.257.4-142.600112Q66 K67 E68 R71E64-Q66 PolarHBondContact O-N 3.29Å; E64-K67 PolarHBondContact O-N 3.25Å; E64-K67 VanDerWaalsContact O-N 3.16Å; E64-K67 WeakPolarHBondContact OE2-CD 3.46Å; E64-K67 IonicContact OE2-NZ 3.17Å; E64-E68 WeakPolarHBondContact O-CB 3.36Å; E64-E68 PolarHBondContact O-N 3.49Å; E64-R71 IonicContact OE1-CZ 3.31Å; E64-R71 IonicContact OE1-NH1 2.77Å; E64-R71 PolarHBondContact OE1-NH1 3.45Å; E64-R71 IonicContact OE1-NH2 2.82Å; E64-R71 PolarHBondContact OE1-NH2 3.44Å
65S86Confident89.9Confident74 Ų7462.7 Ų62.752%0.51732%0.32SS..Hα-helixtrans-62.7-26.8173.461.30000114.1K63 K69K63-S65 PolarHBondContact O-N 3.41Å; S65-K69 VanDerWaalsContact O-CG 3.29Å; S65-K69 WeakPolarHBondContact O-CG 3.31Å; S65-K69 PolarHBondContact O-N 3.29Å
66Q86.7Confident90Very high43 Ų4362.7 Ų62.720%0.20132%0.32CS..Hα-helixtrans-77-41.8173.2-66.1168.3-44.800110.9L61 K63 E64 E68 K69 M70L61-Q66 HydrophobicContact CD2-CB 4.01Å; K63-Q66 HydrophobicContact CB-CG 4.1Å; K63-Q66 WeakPolarHBondContact O-CB 3.49Å; K63-Q66 PolarHBondContact O-N 3.37Å; E64-Q66 PolarHBondContact O-N 3.29Å; Q66-E68 VanDerWaalsContact C-N 3.3Å; Q66-E68 PolarHBondContact O-N 2.91Å; Q66-K69 PolarHBondContact O-N 2.99Å; Q66-M70 WeakPolarHBondContact O-CB 3.4Å; Q66-M70 PolarHBondContact O-N 3.46Å
67K89Confident90.2Very high69 Ų6962.5 Ų62.530%0.332%0.319SS..Hα-helixtrans-61.6-41.5175-65.1-177.8-168.6164.40111.1L61 K63 E64 M70 R71L61-K67 HydrophobicContact CB-CG 4.05Å; L61-K67 VanDerWaalsContact O-CE 3.22Å; L61-K67 WeakPolarHBondContact O-CE 3.35Å; K63-K67 PolarHBondContact O-N 3.36Å; E64-K67 PolarHBondContact O-N 3.25Å; E64-K67 VanDerWaalsContact O-N 3.16Å; E64-K67 WeakPolarHBondContact OE2-CD 3.46Å; E64-K67 IonicContact OE2-NZ 3.17Å; K67-M70 WeakPolarHBondContact O-CB 3.3Å; K67-M70 PolarHBondContact O-N 3.35Å; K67-R71 WeakPolarHBondContact O-CG 3.28Å; K67-R71 PolarHBondContact O-N 3.46Å
68E89.3Confident90.4Very high101 Ų10167.8 Ų67.847%0.47234%0.337SS..Hα-helixtrans-66.4-43.9179.3-167.753.2-146.700112.4E64 Q66 M70 R71 Q72E64-E68 WeakPolarHBondContact O-CB 3.36Å; E64-E68 PolarHBondContact O-N 3.49Å; Q66-E68 VanDerWaalsContact C-N 3.3Å; Q66-E68 PolarHBondContact O-N 2.91Å; E68-M70 PolarHBondContact O-N 3.44Å; E68-R71 PolarHBondContact O-N 3.23Å; E68-R71 IonicContact OE2-NH1 3.55Å; E68-R71 PolarHBondContact OE2-NH1 3.42Å; E68-R71 VanDerWaalsContact OE2-NH1 3.17Å; E68-Q72 WeakPolarHBondContact O-CB 3.26Å; E68-Q72 PolarHBondContact O-N 2.95Å
69K86.6Confident90.6Very high130 Ų13067.3 Ų67.357%0.56534%0.341SS*.Hα-helixtrans-56.5-40.5171.7-76.7177.8-179.8-1730112.1S65 Q66 Q72 E73S65-K69 VanDerWaalsContact O-CG 3.29Å; S65-K69 WeakPolarHBondContact O-CG 3.31Å; S65-K69 PolarHBondContact O-N 3.29Å; Q66-K69 PolarHBondContact O-N 2.99Å; K69-Q72 PolarHBondContact O-N 3.16Å; K69-E73 WeakPolarHBondContact O-CB 3.39Å; K69-E73 PolarHBondContact O-N 2.67Å
70M88.7Confident91Very high28 Ų2864.7 Ų64.714%0.13832%0.322CS..Hα-helixtrans-68.6-43.7177.9178.5-87.7-67.600112.2L61 Q66 K67 E68 Q72 E73 I74 I98L61-M70 HydrophobicContact CD1-CE 3.66Å; Q66-M70 WeakPolarHBondContact O-CB 3.4Å; Q66-M70 PolarHBondContact O-N 3.46Å; K67-M70 WeakPolarHBondContact O-CB 3.3Å; K67-M70 PolarHBondContact O-N 3.35Å; E68-M70 PolarHBondContact O-N 3.44Å; M70-Q72 VanDerWaalsContact C-N 3.3Å; M70-Q72 PolarHBondContact O-N 2.95Å; M70-E73 PolarHBondContact O-N 3.01Å; M70-I74 HydrophobicContact CG-CD1 4.46Å; M70-I74 WeakPolarHBondContact O-CG1 3.41Å; M70-I74 PolarHBondContact O-N 3.33Å; M70-I74 HydrophobicContact SD-CD1 3.55Å; M70-I74 VanDerWaalsContact SD-CD1 3.55Å; M70-I74 HydrophobicContact SD-CG1 4.47Å; M70-I98 HydrophobicContact CE-CD1 3.31Å; M70-I98 HydrophobicContact SD-CD1 4.04Å
71R91.8Very high91.5Very high113 Ų11369.8 Ų69.843%0.42634%0.337SS..Hα-helixtrans-59.5-42.6173.2-70.5-179.5-167.3115.10.7111.4E64 K67 E68 I74 S75E64-R71 IonicContact OE1-CZ 3.31Å; E64-R71 IonicContact OE1-NH1 2.77Å; E64-R71 PolarHBondContact OE1-NH1 3.45Å; E64-R71 IonicContact OE1-NH2 2.82Å; E64-R71 PolarHBondContact OE1-NH2 3.44Å; K67-R71 WeakPolarHBondContact O-CG 3.28Å; K67-R71 PolarHBondContact O-N 3.46Å; E68-R71 PolarHBondContact O-N 3.23Å; E68-R71 IonicContact OE2-NH1 3.55Å; E68-R71 PolarHBondContact OE2-NH1 3.42Å; E68-R71 VanDerWaalsContact OE2-NH1 3.17Å; R71-I74 PolarHBondContact O-N 2.82Å; R71-S75 VanDerWaalsContact O-CB 3.31Å; R71-S75 WeakPolarHBondContact O-CB 3.37Å; R71-S75 PolarHBondContact O-N 2.98Å
72Q91.2Very high92.1Very high85 Ų8571.7 Ų71.740%0.39735%0.346SS..Hα-helixtrans-62.6-46.5177-175.4174.73100111.8E68 K69 M70 I74 S75 I76E68-Q72 WeakPolarHBondContact O-CB 3.26Å; E68-Q72 PolarHBondContact O-N 2.95Å; K69-Q72 PolarHBondContact O-N 3.16Å; M70-Q72 VanDerWaalsContact C-N 3.3Å; M70-Q72 PolarHBondContact O-N 2.95Å; Q72-I74 PolarHBondContact O-N 3.14Å; Q72-S75 PolarHBondContact O-N 2.97Å; Q72-I76 HydrophobicContact CG-CD1 3.88Å; Q72-I76 HydrophobicContact CG-CG1 4.43Å; Q72-I76 WeakPolarHBondContact O-CG1 3.36Å; Q72-I76 PolarHBondContact O-N 2.97Å
73E92.5Very high92.7Very high27 Ų2771.3 Ų71.313%0.12634%0.336CS..Hα-helixtrans-55.3-51.6175.7-177.8-175.4160.400111K54 K69 M70 S75 I76 H77 F167K54-E73 IonicContact NZ-OE1 3.55Å; K54-E73 PolarHBondContact NZ-OE1 3.31Å; K54-E73 IonicContact NZ-OE2 2.95Å; K54-E73 PolarHBondContact NZ-OE2 3.24Å; K69-E73 WeakPolarHBondContact O-CB 3.39Å; K69-E73 PolarHBondContact O-N 2.67Å; M70-E73 PolarHBondContact O-N 3.01Å; E73-S75 VanDerWaalsContact C-N 3.33Å; E73-S75 PolarHBondContact O-N 3.42Å; E73-I76 PolarHBondContact O-N 2.92Å; E73-H77 WeakPolarHBondContact O-CB 3.14Å; E73-H77 PolarHBondContact O-N 3.28Å; E73-F167 HydrophobicContact CG-CB 4.44Å
74I94.2Very high93.1Very high12 Ų1264.9 Ų64.96%0.06231%0.309CS..Hα-helixtrans-61.6-41.7178.4-67.6174.4000111M70 R71 Q72 R78 F88 I100M70-I74 HydrophobicContact CG-CD1 4.46Å; M70-I74 WeakPolarHBondContact O-CG1 3.41Å; M70-I74 PolarHBondContact O-N 3.33Å; M70-I74 HydrophobicContact SD-CD1 3.55Å; M70-I74 VanDerWaalsContact SD-CD1 3.55Å; M70-I74 HydrophobicContact SD-CG1 4.47Å; R71-I74 PolarHBondContact O-N 2.82Å; Q72-I74 PolarHBondContact O-N 3.14Å; I74-R78 WeakPolarHBondContact O-CB 3.46Å; I74-R78 PolarHBondContact O-N 3.09Å; I74-R78 VanDerWaalsContact O-N 3.08Å; I74-F88 HydrophobicContact CG2-CE2 4.34Å; I74-F88 HydrophobicContact CG2-CZ 3.99Å; I74-I100 HydrophobicContact CD1-CD1 3.99Å; I74-I100 HydrophobicContact CD1-CG1 4.27Å; I74-I100 HydrophobicContact CG1-CD1 3.76Å; I74-I100 HydrophobicContact CG1-CG1 4.34Å
75S95.6Very high93.6Very high62 Ų6260.1 Ų60.143%0.43429%0.287SS..Hα-helixtrans-67.5-38-179.5-170.10000113.1R71 Q72 E73R71-S75 VanDerWaalsContact O-CB 3.31Å; R71-S75 WeakPolarHBondContact O-CB 3.37Å; R71-S75 PolarHBondContact O-N 2.98Å; Q72-S75 PolarHBondContact O-N 2.97Å; E73-S75 VanDerWaalsContact C-N 3.33Å; E73-S75 PolarHBondContact O-N 3.42Å
76I95.7Very high94.2Very high4 Ų457 Ų572%0.02126%0.264CS..Hα-helixtrans-71-57176.5-69.2173.9000108.9Q72 E73 R78 S79 L80 V144 F167 A170 R172Q72-I76 HydrophobicContact CG-CD1 3.88Å; Q72-I76 HydrophobicContact CG-CG1 4.43Å; Q72-I76 WeakPolarHBondContact O-CG1 3.36Å; Q72-I76 PolarHBondContact O-N 2.97Å; E73-I76 PolarHBondContact O-N 2.92Å; I76-R78 VanDerWaalsContact C-N 3.32Å; I76-R78 PolarHBondContact O-N 3.04Å; I76-S79 PolarHBondContact O-N 3.31Å; I76-S79 PolarHBondContact O-OG 2.82Å; I76-L80 HydrophobicContact CG2-CD1 4.12Å; I76-L80 WeakPolarHBondContact O-CG 3.04Å; I76-V144 HydrophobicContact CG2-CG1 3.89Å; I76-V144 HydrophobicContact CG2-CG2 4.18Å; I76-F167 HydrophobicContact CG2-CD1 4.38Å; I76-A170 HydrophobicContact CD1-CB 4.22Å; I76-A170 HydrophobicContact CG2-CB 4.24Å; I76-R172 HydrophobicContact CD1-CG 4.46Å; I76-R172 HydrophobicContact CG1-CG 4.31Å
77H96.8Very high94.7Very high4 Ų460.1 Ų60.12%0.01927%0.274CS..Hα-helixtrans-61.6-39.5-171.6-164177.1000112.5E73 S79 L80 V86 F88 L102 F167E73-H77 WeakPolarHBondContact O-CB 3.14Å; E73-H77 PolarHBondContact O-N 3.28Å; H77-S79 PolarHBondContact O-N 2.83Å; H77-L80 PolarHBondContact O-N 3.2Å; H77-V86 PolarHBondContact NE2-O 3.19Å; H77-F88 HydrophobicContact CB-CD2 4.04Å; H77-F88 AromaticContact CG-CD2 3.9Å; H77-F88 AromaticContact ND1-CD2 3.99Å; H77-L102 VanDerWaalsContact CE1-CD2 3.47Å; H77-L102 WeakPolarHBondContact CE1-CD2 3.39Å; H77-F167 HydrophobicContact CB-CB 4.4Å; H77-F167 HydrophobicContact CB-CD2 4.1Å; H77-F167 HydrophobicContact CB-CG 4.41Å; H77-F167 AromaticContact CD2-CD2 3.66Å; H77-F167 AromaticContact CD2-CE2 3.68Å; H77-F167 AromaticContact CE1-CD2 3.85Å; H77-F167 AromaticContact CG-CD2 3.58Å; H77-F167 AromaticContact ND1-CD2 3.72Å; H77-F167 AromaticContact NE2-CD2 3.83Å; H77-F167 AromaticContact NE2-CE2 3.67Å
78R96.4Very high95.1Very high142 Ų14258 Ų5854%0.53627%0.265SS..Hα-helixtrans-59.3-28.5176.1174.4170.236169.3-4.8114.1I74 I76 L80 F88I74-R78 WeakPolarHBondContact O-CB 3.46Å; I74-R78 PolarHBondContact O-N 3.09Å; I74-R78 VanDerWaalsContact O-N 3.08Å; I76-R78 VanDerWaalsContact C-N 3.32Å; I76-R78 PolarHBondContact O-N 3.04Å; R78-L80 VanDerWaalsContact C-N 3.28Å; R78-F88 HydrophobicContact CB-CD1 3.92Å; R78-F88 HydrophobicContact CB-CE1 3.95Å; R78-F88 HydrophobicContact CB-CG 4.27Å; R78-F88 HydrophobicContact CB-CZ 4.32Å; R78-F88 HydrophobicContact CG-CD1 4.22Å; R78-F88 HydrophobicContact CG-CE1 4.18Å
79S96.3Very high95.5Very high52 Ų5258.5 Ų58.536%0.36426%0.263SS..THydrogen-bonded Turntrans-83-6.3179.191.70000113.1I76 H77 R172I76-S79 PolarHBondContact O-N 3.31Å; I76-S79 PolarHBondContact O-OG 2.82Å; H77-S79 PolarHBondContact O-N 2.83Å; S79-R172 PolarHBondContact OG-NH2 3.29Å
80L97.7Very high95.9Very high6 Ų652.6 Ų52.63%0.03124%0.239CC..  trans-99.1129.9-172.3-59.4175.2000110.4I76 H77 R78 V85 Y138 L139 N142 V144 F167I76-L80 HydrophobicContact CG2-CD1 4.12Å; I76-L80 WeakPolarHBondContact O-CG 3.04Å; H77-L80 PolarHBondContact O-N 3.2Å; R78-L80 VanDerWaalsContact C-N 3.28Å; L80-V85 HydrophobicContact CB-CG1 4.16Å; L80-Y138 HydrophobicContact CB-CE1 4.17Å; L80-Y138 HydrophobicContact CD2-CE1 3.85Å; L80-L139 HydrophobicContact CD1-CD2 3.56Å; L80-L139 HydrophobicContact CD2-CD2 3.92Å; L80-L139 HydrophobicContact CG-CD2 4.32Å; L80-N142 HydrophobicContact CD2-CB 4.41Å; L80-V144 HydrophobicContact CD2-CG2 4.3Å; L80-F167 HydrophobicContact CD1-CD1 3.89Å; L80-F167 HydrophobicContact CD1-CE1 3.43Å; L80-F167 VanDerWaalsContact CD1-CE1 3.43Å; L80-F167 HydrophobicContact CD1-CE2 4.23Å; L80-F167 HydrophobicContact CD1-CG 4.47Å; L80-F167 HydrophobicContact CD1-CZ 3.63Å
81K97.6Very high96.2Very high143 Ų14353.4 Ų53.462%0.62224%0.244SC*.  trans-146.5100.4178.2-175.8-176.5175.7-171.60109.4Y138K81-Y138 PolarHBondContact N-OH 2.68Å; K81-Y138 PolarHBondContact O-OH 2.83Å
82H98.4Very high96.4Very high53 Ų5348.7 Ų48.725%0.24523%0.227CC..  trans-150.5153.2-179.6-175.7-99.4000109.9N84 V85 Y138H82-N84 PolarHBondContact CE1-OD1 2.81Å; H82-N84 PolarHBondContact ND1-N 2.79Å; H82-N84 PolarHBondContact O-N 3.31Å; H82-V85 HydrophobicContact CB-CB 4.15Å; H82-V85 HydrophobicContact CB-CG2 3.98Å; H82-V85 PolarHBondContact O-N 3.31Å; H82-Y138 HydrophobicContact CB-CD1 3.45Å; H82-Y138 VanDerWaalsContact CB-CD1 3.45Å; H82-Y138 HydrophobicContact CB-CD2 4.06Å; H82-Y138 HydrophobicContact CB-CE1 3.66Å; H82-Y138 HydrophobicContact CB-CE2 4.25Å; H82-Y138 HydrophobicContact CB-CG 3.66Å; H82-Y138 AromaticContact CD2-CD2 3.8Å; H82-Y138 AromaticContact CD2-CG 3.65Å; H82-Y138 AromaticContact CG-CD1 3.91Å; H82-Y138 AromaticContact CG-CG 3.68Å
83E97.8Very high96.6Very high111 Ų11150.3 Ų50.352%0.51923%0.234SC..THydrogen-bonded Turntrans-62.8-32.4-177.370.117413300112.7K161 K163E83-K161 IonicContact OE2-NZ 2.78Å; E83-K163 VanDerWaalsContact O-CD 3.25Å; E83-K163 WeakPolarHBondContact O-CD 3.44Å; E83-K163 VanDerWaalsContact O-CE 3.24Å; E83-K163 WeakPolarHBondContact O-CE 3.34Å; E83-K163 PolarHBondContact O-NZ 3.15Å
84N98.6Very high96.7Very high2 Ų251.4 Ų51.41%0.01124%0.241CC..THydrogen-bonded Turntrans-97.218178.5-55.2121.3000114.9H82 Q131 I162 I164H82-N84 PolarHBondContact CE1-OD1 2.81Å; H82-N84 PolarHBondContact ND1-N 2.79Å; H82-N84 PolarHBondContact O-N 3.31Å; N84-Q131 WeakPolarHBondContact CB-O 3.06Å; N84-Q131 PolarHBondContact OD1-O 2.59Å; N84-I162 VanDerWaalsContact CA-O 3.24Å; N84-I162 WeakPolarHBondContact CA-O 3.29Å; N84-I162 PolarHBondContact ND2-O 2.99Å; N84-I162 VanDerWaalsContact ND2-O 3.13Å; N84-I164 WeakPolarHBondContact O-CB 3.47Å; N84-I164 VanDerWaalsContact O-CG1 3.32Å; N84-I164 WeakPolarHBondContact O-CG1 3.18Å; N84-I164 PolarHBondContact O-N 2.87Å
85V98.5Very high96.6Very high2 Ų256.1 Ų56.11%0.01228%0.275CS..BIsolated β-bridgetrans-122.6132.9173.51740000108.2L80 H82 R87 Y138 L139 F167L80-V85 HydrophobicContact CB-CG1 4.16Å; H82-V85 HydrophobicContact CB-CB 4.15Å; H82-V85 HydrophobicContact CB-CG2 3.98Å; H82-V85 PolarHBondContact O-N 3.31Å; V85-R87 PolarHBondContact O-N 3.08Å; V85-Y138 HydrophobicContact CG2-CD1 4.2Å; V85-L139 HydrophobicContact CG2-CD2 4.22Å; V85-F167 HydrophobicContact CG1-CE2 3.9Å; V85-F167 HydrophobicContact CG1-CZ 3.67Å
86V98.1Very high96.4Very high7 Ų755.9 Ų55.94%0.04227%0.267CS..PPolyproline II helixtrans-52.2122.7175.6168.70000108.6H77 F88 L102 E103 F155 K163 I164H77-V86 PolarHBondContact NE2-O 3.19Å; V86-F88 PolarHBondContact O-N 3.22Å; V86-L102 HydrophobicContact CG1-CB 4.06Å; V86-E103 HydrophobicContact CG1-CB 4.13Å; V86-F155 HydrophobicContact CG2-CD2 3.92Å; V86-K163 HydrophobicContact CG2-CB 3.66Å; V86-I164 WeakPolarHBondContact CG2-O 3.38Å; V86-I164 PolarHBondContact N-O 3.34Å
87R97.8Very high96.4Very high110 Ų11055.9 Ų55.942%0.41527%0.267SS..PPolyproline II helixtrans-71.1132.8-178-173.3159.3-177150.7-8.7112.2V85 Y89 L102 E103V85-R87 PolarHBondContact O-N 3.08Å; R87-Y89 HydrophobicContact CB-CE2 4.08Å; R87-Y89 HydrophobicContact CG-CD2 4.44Å; R87-Y89 HydrophobicContact CG-CE2 4.13Å; R87-L102 CarbonylContact O-C 3.59Å; R87-L102 WeakPolarHBondContact O-CA 3.23Å; R87-E103 HydrophobicContact CB-CB 4.02Å; R87-E103 PolarHBondContact N-OE2 3.4Å; R87-E103 PolarHBondContact O-N 3.04Å
88F97.7Very high96.3Very high23 Ų2356.1 Ų56.110%0.10127%0.268CS..EExtended strand (participates in β ladder)trans-88.5119.3168-170.6-79.8000109.7I74 H77 R78 V86 G90 N91 I100 L102I74-F88 HydrophobicContact CG2-CE2 4.34Å; I74-F88 HydrophobicContact CG2-CZ 3.99Å; H77-F88 HydrophobicContact CB-CD2 4.04Å; H77-F88 AromaticContact CG-CD2 3.9Å; H77-F88 AromaticContact ND1-CD2 3.99Å; R78-F88 HydrophobicContact CB-CD1 3.92Å; R78-F88 HydrophobicContact CB-CE1 3.95Å; R78-F88 HydrophobicContact CB-CG 4.27Å; R78-F88 HydrophobicContact CB-CZ 4.32Å; R78-F88 HydrophobicContact CG-CD1 4.22Å; R78-F88 HydrophobicContact CG-CE1 4.18Å; V86-F88 PolarHBondContact O-N 3.22Å; F88-G90 VanDerWaalsContact CE1-C 3.45Å; F88-G90 VanDerWaalsContact CE1-CA 3.47Å; F88-N91 HydrophobicContact CZ-CB 3.98Å; F88-N91 WeakPolarHBondContact CZ-ND2 3.44Å; F88-I100 HydrophobicContact CD2-CG2 3.92Å; F88-I100 HydrophobicContact CE2-CG2 3.32Å; F88-I100 HydrophobicContact CZ-CG2 3.97Å; F88-L102 HydrophobicContact CB-CD2 4.43Å; F88-L102 HydrophobicContact CD2-CD2 3.84Å; F88-L102 HydrophobicContact CG-CD2 4.42Å
89Y96.7Very high96.3Very high112 Ų11249.4 Ų49.444%0.43924%0.243SC..EExtended strand (participates in β ladder)trans-94.9-34178.7-73-86.5000112.8Y51 R87 L101 E103Y51-Y89 AromaticContact CD1-CD2 3.87Å; Y51-Y89 HydrophobicContact CD1-CD2 3.87Å; Y51-Y89 HydrophobicContact CD1-CE2 4.23Å; Y51-Y89 HydrophobicContact CD1-CG 4.07Å; Y51-Y89 AromaticContact CE1-CD1 3.9Å; Y51-Y89 HydrophobicContact CE1-CD1 3.9Å; Y51-Y89 AromaticContact CE1-CD2 3.99Å; Y51-Y89 HydrophobicContact CE1-CD2 3.99Å; Y51-Y89 HydrophobicContact CE1-CE1 4.17Å; Y51-Y89 HydrophobicContact CE1-CE2 4.28Å; Y51-Y89 AromaticContact CE1-CG 3.79Å; Y51-Y89 HydrophobicContact CE1-CG 3.79Å; R87-Y89 HydrophobicContact CB-CE2 4.08Å; R87-Y89 HydrophobicContact CG-CD2 4.44Å; R87-Y89 HydrophobicContact CG-CE2 4.13Å; Y89-L101 PolarHBondContact N-O 2.82Å; Y89-E103 HydrophobicContact CE2-CB 4.08Å
90G95.5Very high96.3Very high6 Ų647.1 Ų47.16%0.06223%0.226CC..EExtended strand (participates in β ladder)trans170.6172.3-176.500000112.4F88 L101F88-G90 VanDerWaalsContact CE1-C 3.45Å; F88-G90 VanDerWaalsContact CE1-CA 3.47Å; G90-L101 PolarHBondContact N-O 2.93Å; G90-L101 PolarHBondContact O-N 2.82Å
91N95.9Very high96.2Very high45 Ų4547 Ų4724%0.24123%0.226CC..EExtended strand (participates in β ladder)trans-140.6156.9165.266.895.4000109.5R21 F88 Y99 I100R21-N91 PolarHBondContact NH1-O 3.38Å; R21-N91 VanDerWaalsContact NH1-O 3.1Å; F88-N91 HydrophobicContact CZ-CB 3.98Å; F88-N91 WeakPolarHBondContact CZ-ND2 3.44Å; N91-Y99 CarbonylContact C-O 3.57Å; N91-Y99 WeakPolarHBondContact CA-O 3.16Å; N91-Y99 VanDerWaalsContact CB-O 3.29Å; N91-Y99 WeakPolarHBondContact CB-O 3.44Å; N91-I100 HydrophobicContact CB-CG1 4.24Å
92F96.3Very high96.2Very high14 Ų1441.3 Ų41.36%0.06120%0.202CC..EExtended strand (participates in β ladder)trans-157.8171.417461-86.3000108.6I16 D18 F25 Y99 L101I16-F92 HydrophobicContact CG2-CE2 3.52Å; I16-F92 HydrophobicContact CG2-CZ 3.63Å; D18-F92 HydrophobicContact CB-CB 4.33Å; D18-F92 HydrophobicContact CB-CD1 3.92Å; D18-F92 HydrophobicContact CB-CD2 3.85Å; D18-F92 HydrophobicContact CB-CE1 4.15Å; D18-F92 HydrophobicContact CB-CE2 4.08Å; D18-F92 HydrophobicContact CB-CG 3.77Å; D18-F92 HydrophobicContact CB-CZ 4.23Å; F25-F92 HydrophobicContact CD2-CE1 4.37Å; F25-F92 HydrophobicContact CD2-CZ 4.01Å; F25-F92 AromaticContact CE2-CE1 3.93Å; F25-F92 HydrophobicContact CE2-CE1 3.93Å; F25-F92 HydrophobicContact CE2-CZ 4.01Å; F92-Y99 AromaticContact CD2-CD2 3.71Å; F92-Y99 HydrophobicContact CD2-CD2 3.71Å; F92-Y99 HydrophobicContact CD2-CG 4.17Å; F92-Y99 HydrophobicContact CE1-CG 4.49Å; F92-Y99 HydrophobicContact CE2-CD1 4.46Å; F92-Y99 AromaticContact CE2-CD2 3.38Å; F92-Y99 HydrophobicContact CE2-CD2 3.38Å; F92-Y99 HydrophobicContact CE2-CE2 4.12Å; F92-Y99 AromaticContact CE2-CG 3.59Å; F92-Y99 HydrophobicContact CE2-CG 3.59Å; F92-Y99 HydrophobicContact CZ-CD1 4.44Å; F92-Y99 HydrophobicContact CZ-CD2 4.07Å; F92-Y99 AromaticContact CZ-CG 3.77Å; F92-Y99 HydrophobicContact CZ-CG 3.77Å; F92-Y99 PolarHBondContact N-O 3.25Å; F92-Y99 PolarHBondContact O-N 3.47Å; F92-L101 HydrophobicContact CE1-CD1 4Å; F92-L101 HydrophobicContact CE1-CD2 4.03Å; F92-L101 HydrophobicContact CE1-CG 3.94Å
93E94.5Very high96.1Very high119 Ų11940.5 Ų40.556%0.55620%0.198SC*.EExtended strand (participates in β ladder)trans-148.2153.9-178.253.7170.1-121.200111.3K58 F97 I98K58-E93 WeakPolarHBondContact CE-OE2 3.38Å; K58-E93 IonicContact NZ-OE1 3.57Å; K58-E93 PolarHBondContact NZ-OE1 3.01Å; K58-E93 IonicContact NZ-OE2 2.68Å; K58-E93 PolarHBondContact NZ-OE2 3.23Å; E93-F97 VanDerWaalsContact CA-O 3.27Å; E93-F97 WeakPolarHBondContact CA-O 3.23Å; E93-F97 WeakPolarHBondContact CB-O 3.49Å; E93-I98 HydrophobicContact CB-CB 4.47Å; E93-I98 HydrophobicContact CB-CG1 4.07Å
94D94.1Very high96Very high50 Ų5036.4 Ų36.427%0.26718%0.18SC..  trans-115-163.1169.666.225.3000110.2K58 E96 F97 Y99K58-D94 WeakPolarHBondContact CE-O 3.44Å; K58-D94 PolarHBondContact NZ-O 2.87Å; D94-E96 PolarHBondContact O-N 2.91Å; D94-E96 PolarHBondContact OD1-N 2.99Å; D94-F97 PolarHBondContact N-O 2.81Å; D94-F97 PolarHBondContact OD1-N 2.78Å; D94-Y99 HydrophobicContact CB-CE2 4.49Å; D94-Y99 WeakPolarHBondContact OD2-CE2 3.49Å; D94-Y99 PolarHBondContact OD2-OH 2.95Å
95S92.3Very high95.8Very high111 Ų11137 Ų3778%0.77618%0.184SC*.SBendtrans-63.2-24179.548.50000114.3
96E92.6Very high95.3Very high58 Ų5839.3 Ų39.327%0.27120%0.197SC..SBendtrans-122-29.8-168.6-60.6-162.4111.900113.9P9 K58 D94P9-E96 WeakPolarHBondContact CD-OE1 3.45Å; P9-E96 WeakPolarHBondContact CD-OE2 3.47Å; P9-E96 WeakPolarHBondContact CG-OE2 3.37Å; K58-E96 VanDerWaalsContact CB-O 3.3Å; K58-E96 WeakPolarHBondContact CB-O 3.23Å; K58-E96 WeakPolarHBondContact CG-O 3.41Å; K58-E96 PolarHBondContact N-O 3.11Å; D94-E96 PolarHBondContact O-N 2.91Å; D94-E96 PolarHBondContact OD1-N 2.99Å
97F94.8Very high94.9Very high4 Ų441.4 Ų41.42%0.01820%0.204CC..EExtended strand (participates in β ladder)trans-130.1151.7-170.1-61.5-80000112.8P12 V55 I56 N57 E93 D94 Y99P12-F97 HydrophobicContact CB-CD2 4.47Å; V55-F97 HydrophobicContact CG1-CB 4.01Å; V55-F97 HydrophobicContact CG1-CD1 3.62Å; V55-F97 HydrophobicContact CG1-CE1 4.4Å; V55-F97 HydrophobicContact CG1-CG 4.01Å; I56-F97 CarbonylContact O-C 3.51Å; I56-F97 VanDerWaalsContact O-CA 3.28Å; I56-F97 WeakPolarHBondContact O-CA 3.49Å; N57-F97 HydrophobicContact CB-CD1 4.13Å; N57-F97 HydrophobicContact CB-CE1 3.93Å; E93-F97 VanDerWaalsContact CA-O 3.27Å; E93-F97 WeakPolarHBondContact CA-O 3.23Å; E93-F97 WeakPolarHBondContact CB-O 3.49Å; D94-F97 PolarHBondContact N-O 2.81Å; D94-F97 PolarHBondContact OD1-N 2.78Å; F97-Y99 HydrophobicContact CB-CD2 4.42Å; F97-Y99 HydrophobicContact CB-CE1 4.23Å; F97-Y99 HydrophobicContact CB-CE2 3.65Å; F97-Y99 WeakPolarHBondContact CB-OH 3.34Å
98I94.6Very high94.5Very high8 Ų838.6 Ų38.64%0.04119%0.193CC..EExtended strand (participates in β ladder)trans-109.4131.8166.7-57.2172.3000107.4V55 I56 K58 L61 M70 E93V55-I98 WeakPolarHBondContact CA-O 3.31Å; I56-I98 HydrophobicContact CB-CB 4.34Å; I56-I98 HydrophobicContact CD1-CB 4.45Å; I56-I98 HydrophobicContact CD1-CG2 4.49Å; I56-I98 PolarHBondContact N-O 2.93Å; I56-I98 PolarHBondContact O-N 3.15Å; K58-I98 HydrophobicContact CD-CG1 4.43Å; K58-I98 HydrophobicContact CG-CD1 4.26Å; K58-I98 HydrophobicContact CG-CG1 3.92Å; L61-I98 HydrophobicContact CD1-CD1 4.09Å; M70-I98 HydrophobicContact CE-CD1 3.31Å; M70-I98 HydrophobicContact SD-CD1 4.04Å; E93-I98 HydrophobicContact CB-CB 4.47Å; E93-I98 HydrophobicContact CB-CG1 4.07Å
99Y96.2Very high94.4Very high1 Ų137.6 Ų37.60%0.00419%0.189CC..EExtended strand (participates in β ladder)trans-114.7126-177.8-58.5-86.5000109.9P12 I16 V55 N91 F92 D94 F97P12-Y99 HydrophobicContact CB-CE1 4.05Å; I16-Y99 HydrophobicContact CB-CE1 4.37Å; I16-Y99 HydrophobicContact CD1-CD1 4.12Å; I16-Y99 HydrophobicContact CD1-CE1 3.59Å; I16-Y99 HydrophobicContact CG1-CE1 3.82Å; I16-Y99 HydrophobicContact CG2-CD1 3.82Å; I16-Y99 HydrophobicContact CG2-CD2 4.18Å; I16-Y99 HydrophobicContact CG2-CE1 3.6Å; I16-Y99 HydrophobicContact CG2-CE2 3.97Å; I16-Y99 HydrophobicContact CG2-CG 4.11Å; V55-Y99 HydrophobicContact CB-CD1 4.45Å; V55-Y99 HydrophobicContact CB-CE1 4.48Å; V55-Y99 HydrophobicContact CG1-CD1 4.12Å; V55-Y99 HydrophobicContact CG1-CE1 3.78Å; V55-Y99 HydrophobicContact CG2-CD1 3.8Å; V55-Y99 HydrophobicContact CG2-CE1 3.96Å; N91-Y99 CarbonylContact C-O 3.57Å; N91-Y99 WeakPolarHBondContact CA-O 3.16Å; N91-Y99 VanDerWaalsContact CB-O 3.29Å; N91-Y99 WeakPolarHBondContact CB-O 3.44Å; F92-Y99 AromaticContact CD2-CD2 3.71Å; F92-Y99 HydrophobicContact CD2-CD2 3.71Å; F92-Y99 HydrophobicContact CD2-CG 4.17Å; F92-Y99 HydrophobicContact CE1-CG 4.49Å; F92-Y99 HydrophobicContact CE2-CD1 4.46Å; F92-Y99 AromaticContact CE2-CD2 3.38Å; F92-Y99 HydrophobicContact CE2-CD2 3.38Å; F92-Y99 HydrophobicContact CE2-CE2 4.12Å; F92-Y99 AromaticContact CE2-CG 3.59Å; F92-Y99 HydrophobicContact CE2-CG 3.59Å; F92-Y99 HydrophobicContact CZ-CD1 4.44Å; F92-Y99 HydrophobicContact CZ-CD2 4.07Å; F92-Y99 AromaticContact CZ-CG 3.77Å; F92-Y99 HydrophobicContact CZ-CG 3.77Å; F92-Y99 PolarHBondContact N-O 3.25Å; F92-Y99 PolarHBondContact O-N 3.47Å; D94-Y99 HydrophobicContact CB-CE2 4.49Å; D94-Y99 WeakPolarHBondContact OD2-CE2 3.49Å; D94-Y99 PolarHBondContact OD2-OH 2.95Å; F97-Y99 HydrophobicContact CB-CD2 4.42Å; F97-Y99 HydrophobicContact CB-CE1 4.23Å; F97-Y99 HydrophobicContact CB-CE2 3.65Å; F97-Y99 WeakPolarHBondContact CB-OH 3.34Å
100I95.9Very high94.4Very high4 Ų432.3 Ų32.32%0.02117%0.168CC..EExtended strand (participates in β ladder)trans-116.1118.1173-54.1171.8000108.1G53 K54 I56 I74 F88 N91 L102G53-I100 WeakPolarHBondContact CA-O 3.05Å; K54-I100 HydrophobicContact CB-CB 4.23Å; K54-I100 HydrophobicContact CD-CD1 4.47Å; K54-I100 PolarHBondContact N-O 2.95Å; K54-I100 PolarHBondContact O-N 3.35Å; I56-I100 HydrophobicContact CD1-CD1 3.84Å; I56-I100 HydrophobicContact CD1-CG1 4.18Å; I74-I100 HydrophobicContact CD1-CD1 3.99Å; I74-I100 HydrophobicContact CD1-CG1 4.27Å; I74-I100 HydrophobicContact CG1-CD1 3.76Å; I74-I100 HydrophobicContact CG1-CG1 4.34Å; F88-I100 HydrophobicContact CD2-CG2 3.92Å; F88-I100 HydrophobicContact CE2-CG2 3.32Å; F88-I100 HydrophobicContact CZ-CG2 3.97Å; N91-I100 HydrophobicContact CB-CG1 4.24Å; I100-L102 HydrophobicContact CG2-CD2 3.75Å; I100-L102 HydrophobicContact CG2-CG 4Å
101L97Very high94.4Very high4 Ų434.1 Ų34.12%0.02118%0.176CC..EExtended strand (participates in β ladder)trans-87.9115.3178.6-59.8-177.6000110F25 L42 Y89 G90 F92F25-L101 HydrophobicContact CE1-CD1 4Å; F25-L101 HydrophobicContact CE1-CD2 4.41Å; F25-L101 HydrophobicContact CE2-CD1 4.2Å; F25-L101 HydrophobicContact CZ-CD1 3.53Å; F25-L101 HydrophobicContact CZ-CD2 4.43Å; L42-L101 HydrophobicContact CD1-CD2 3.65Å; Y89-L101 PolarHBondContact N-O 2.82Å; G90-L101 PolarHBondContact N-O 2.93Å; G90-L101 PolarHBondContact O-N 2.82Å; F92-L101 HydrophobicContact CE1-CD1 4Å; F92-L101 HydrophobicContact CE1-CD2 4.03Å; F92-L101 HydrophobicContact CE1-CG 3.94Å
102L97.2Very high94.3Very high24 Ų2433.3 Ų33.313%0.12617%0.171CC..EExtended strand (participates in β ladder)trans-120.7160.5-178.4-58.3177.6000111.4A52 K54 H77 V86 R87 F88 I100 L104A52-L102 HydrophobicContact CB-CB 4.29Å; A52-L102 PolarHBondContact N-O 3.45Å; A52-L102 WeakPolarHBondContact O-CB 3.48Å; A52-L102 PolarHBondContact O-N 2.96Å; K54-L102 HydrophobicContact CB-CD1 4.4Å; H77-L102 VanDerWaalsContact CE1-CD2 3.47Å; H77-L102 WeakPolarHBondContact CE1-CD2 3.39Å; V86-L102 HydrophobicContact CG1-CB 4.06Å; R87-L102 CarbonylContact O-C 3.59Å; R87-L102 WeakPolarHBondContact O-CA 3.23Å; F88-L102 HydrophobicContact CB-CD2 4.43Å; F88-L102 HydrophobicContact CD2-CD2 3.84Å; F88-L102 HydrophobicContact CG-CD2 4.42Å; I100-L102 HydrophobicContact CG2-CD2 3.75Å; I100-L102 HydrophobicContact CG2-CG 4Å; L102-L104 PolarHBondContact O-N 3.1Å
103E97Very high94.2Very high35 Ų3532.7 Ų32.716%0.16417%0.169CC..  trans-54.7130.1167.8-173.4176.3-174.300111.2V86 R87 Y89 C105 K163V86-E103 HydrophobicContact CG1-CB 4.13Å; R87-E103 HydrophobicContact CB-CB 4.02Å; R87-E103 PolarHBondContact N-OE2 3.4Å; R87-E103 PolarHBondContact O-N 3.04Å; Y89-E103 HydrophobicContact CE2-CB 4.08Å; E103-C105 PolarHBondContact O-N 2.87Å; E103-K163 WeakPolarHBondContact OE1-CE 2.92Å; E103-K163 IonicContact OE1-NZ 3.57Å; E103-K163 PolarHBondContact OE1-NZ 3.21Å; E103-K163 IonicContact OE2-NZ 3.58Å; E103-K163 PolarHBondContact OE2-NZ 3.47Å
104L94.9Very high94.2Very high26 Ų2628.1 Ų28.114%0.13615%0.147CC..  trans-85109.7177.2-178.262.1000110.3L31 E41 K50 A52 L102 N106L31-L104 HydrophobicContact CD1-CD1 3.59Å; L31-L104 HydrophobicContact CD2-CD1 4.38Å; E41-L104 HydrophobicContact CG-CD2 4.16Å; K50-L104 HydrophobicContact CB-CD2 3.79Å; A52-L104 HydrophobicContact CB-CD1 4.03Å; L102-L104 PolarHBondContact O-N 3.1Å; L104-N106 WeakPolarHBondContact CD2-OD1 3.49Å; L104-N106 PolarHBondContact O-N 2.73Å
105C94.1Very high94.1Very high14 Ų1429 Ų2910%0.09515%0.149CC..  trans-9291174.5-600000111.1E103 R107 R108 F155 L156E103-C105 PolarHBondContact O-N 2.87Å; C105-R107 PolarHBondContact O-N 3.1Å; C105-R108 PolarHBondContact O-N 3.33Å; C105-F155 HydrophobicContact CB-CB 3.54Å; C105-F155 HydrophobicContact CB-CD1 4.49Å; C105-F155 HydrophobicContact CB-CG 4.3Å; C105-F155 VanDerWaalsContact SG-CB 3.55Å; C105-L156 CarbonylContact C-O 3.32Å; C105-L156 WeakPolarHBondContact CB-O 3.46Å
106N87.6Confident94Very high51 Ų5125.1 Ų25.127%0.27312%0.117SC..THydrogen-bonded Turntrans-62.3-24-173.8-73.4-43.4000114.5L104 R108 D158L104-N106 WeakPolarHBondContact CD2-OD1 3.49Å; L104-N106 PolarHBondContact O-N 2.73Å; N106-R108 VanDerWaalsContact C-N 3.28Å; N106-R108 PolarHBondContact O-N 3.18Å; N106-D158 VanDerWaalsContact CB-OD1 3.23Å; N106-D158 WeakPolarHBondContact CB-OD1 3.42Å; N106-D158 PolarHBondContact ND2-OD1 3.18Å; N106-D158 PolarHBondContact ND2-OD2 3.32Å
107R89.3Confident94Very high51 Ų5123.7 Ų23.719%0.19211%0.109CC..THydrogen-bonded Turntrans-92.514.9-178.2-54.9-61.7-176-123-8.7113.3C105 L156 D157 D158 L160 L290C105-R107 PolarHBondContact O-N 3.1Å; R107-L156 HydrophobicContact CB-CB 3.64Å; R107-L156 WeakPolarHBondContact CB-O 3.38Å; R107-L156 PolarHBondContact N-O 3.15Å; R107-L156 VanDerWaalsContact N-O 3.12Å; R107-D157 WeakPolarHBondContact CB-O 3.24Å; R107-D157 WeakPolarHBondContact CG-O 3.42Å; R107-D158 IonicContact CZ-OD1 3.43Å; R107-D158 VanDerWaalsContact CZ-OD1 3.31Å; R107-D158 IonicContact NE-OD1 2.8Å; R107-D158 IonicContact NH1-OD1 2.67Å; R107-D158 IonicContact NH2-OD1 3.25Å; R107-D158 PolarHBondContact NH2-OD1 3.3Å; R107-L160 HydrophobicContact CB-CD2 3.96Å; R107-L160 HydrophobicContact CG-CD2 3.86Å; R107-L290 HydrophobicContact CB-CD1 4.11Å; R107-L290 HydrophobicContact CG-CD1 4.32Å
108R90.3Very high93.8Very high50 Ų5026.9 Ų26.919%0.18912%0.123CC..  trans61-149.6175.7-50.5-61.2-175162.8-0.7110.9L31 C105 N106 E112 F155 L156L31-R108 PolarHBondContact O-NH1 3.23Å; L31-R108 VanDerWaalsContact O-NH1 3.14Å; C105-R108 PolarHBondContact O-N 3.33Å; N106-R108 VanDerWaalsContact C-N 3.28Å; N106-R108 PolarHBondContact O-N 3.18Å; R108-E112 HydrophobicContact CB-CB 3.93Å; R108-E112 HydrophobicContact CB-CG 3.76Å; R108-E112 HydrophobicContact CG-CG 4.28Å; R108-F155 CarbonylContact O-C 3.51Å; R108-F155 VanDerWaalsContact O-CA 3.3Å; R108-F155 WeakPolarHBondContact O-CA 3.43Å; R108-L156 PolarHBondContact O-N 3.49Å
109S95Very high93.7Very high3 Ų328.7 Ų28.72%0.02113%0.13CC..BIsolated β-bridgetrans-109.4167.3-177.876.70000113L111 E112 L113 L151 L154S109-L111 PolarHBondContact O-N 2.9Å; S109-L111 VanDerWaalsContact O-N 3.09Å; S109-L111 WeakPolarHBondContact OG-CB 3.13Å; S109-L111 PolarHBondContact OG-N 2.87Å; S109-E112 WeakPolarHBondContact CA-OE2 3.22Å; S109-E112 WeakPolarHBondContact CB-OE2 3.34Å; S109-E112 PolarHBondContact N-OE2 3.02Å; S109-E112 WeakPolarHBondContact O-CB 3.35Å; S109-E112 PolarHBondContact O-N 2.78Å; S109-E112 PolarHBondContact OG-OE2 3.41Å; S109-L113 PolarHBondContact O-N 3.27Å; S109-L151 VanDerWaalsContact CB-O 3.29Å; S109-L151 WeakPolarHBondContact CB-O 3.45Å; S109-L151 PolarHBondContact OG-O 3.46Å; S109-L154 CarbonylContact C-O 3.6Å; S109-L154 WeakPolarHBondContact CA-O 3.39Å; S109-L154 WeakPolarHBondContact CB-O 3.42Å
110L97.4Very high93.6Very high0 Ų028.9 Ų28.90%013%0.131CC..Hα-helixtrans-57.3-21.7170.9-68.3-174.7000112.5E112 L113 H114 F128 I132 L151 L154 L156 I162 L216L110-E112 VanDerWaalsContact C-N 3.34Å; L110-L113 HydrophobicContact CD2-CD2 3.97Å; L110-L113 PolarHBondContact O-N 3.4Å; L110-H114 VanDerWaalsContact O-CB 3.24Å; L110-H114 WeakPolarHBondContact O-CB 3.27Å; L110-H114 PolarHBondContact O-N 3.25Å; L110-F128 HydrophobicContact CD1-CB 4.39Å; L110-F128 HydrophobicContact CD2-CD1 3.98Å; L110-F128 HydrophobicContact CD2-CD2 4.1Å; L110-F128 HydrophobicContact CD2-CE1 4.06Å; L110-F128 HydrophobicContact CD2-CE2 4.18Å; L110-F128 HydrophobicContact CD2-CG 4.01Å; L110-F128 HydrophobicContact CD2-CZ 4.16Å; L110-I132 HydrophobicContact CD1-CD1 4.18Å; L110-L151 HydrophobicContact CB-CB 4.24Å; L110-L151 HydrophobicContact CB-CD2 3.79Å; L110-L151 HydrophobicContact CD1-CD2 4.15Å; L110-L151 PolarHBondContact N-O 2.75Å; L110-L154 HydrophobicContact CB-CB 4.37Å; L110-L154 HydrophobicContact CD1-CB 3.93Å; L110-L154 HydrophobicContact CD1-CD1 3.83Å; L110-L154 HydrophobicContact CG-CB 4.02Å; L110-L154 PolarHBondContact N-O 2.86Å; L110-L156 HydrophobicContact CD2-CD1 4.06Å; L110-L156 HydrophobicContact CD2-CD2 3.98Å; L110-L156 HydrophobicContact CD2-CG 4.21Å; L110-I162 HydrophobicContact CD1-CD1 3.73Å; L110-I162 HydrophobicContact CD2-CD1 3.99Å; L110-I162 HydrophobicContact CG-CD1 3.88Å; L110-L216 HydrophobicContact CD1-CD1 4.47Å
111L95Very high93.6Very high44 Ų4429.6 Ų29.623%0.2314%0.135CC..Hα-helixtrans-64.7-39172.8-178.962.9000111.6S109 H114 K115 L151 A152S109-L111 PolarHBondContact O-N 2.9Å; S109-L111 VanDerWaalsContact O-N 3.09Å; S109-L111 WeakPolarHBondContact OG-CB 3.13Å; S109-L111 PolarHBondContact OG-N 2.87Å; L111-H114 PolarHBondContact O-N 2.81Å; L111-K115 HydrophobicContact CD1-CG 4.5Å; L111-K115 HydrophobicContact CG-CD 4.24Å; L111-K115 WeakPolarHBondContact O-CB 3.3Å; L111-K115 VanDerWaalsContact O-CG 3.26Å; L111-K115 WeakPolarHBondContact O-CG 3.49Å; L111-K115 PolarHBondContact O-N 3.48Å; L111-L151 HydrophobicContact CB-CB 3.97Å; L111-L151 PolarHBondContact N-O 3.4Å; L111-L151 VanDerWaalsContact N-O 3.13Å; L111-A152 HydrophobicContact CB-CB 4.39Å; L111-A152 HydrophobicContact CD2-CB 3.89Å
112E93.5Very high93.6Very high28 Ų2831.2 Ų31.213%0.13114%0.143CC..Hα-helixtrans-68.8-38.2177.4-82.968.6-124.100111.9R108 S109 L110 K115 R116 A378R108-E112 HydrophobicContact CB-CB 3.93Å; R108-E112 HydrophobicContact CB-CG 3.76Å; R108-E112 HydrophobicContact CG-CG 4.28Å; S109-E112 WeakPolarHBondContact CA-OE2 3.22Å; S109-E112 WeakPolarHBondContact CB-OE2 3.34Å; S109-E112 PolarHBondContact N-OE2 3.02Å; S109-E112 WeakPolarHBondContact O-CB 3.35Å; S109-E112 PolarHBondContact O-N 2.78Å; S109-E112 PolarHBondContact OG-OE2 3.41Å; L110-E112 VanDerWaalsContact C-N 3.34Å; E112-K115 IonicContact OE1-NZ 2.68Å; E112-R116 VanDerWaalsContact O-CG 3.31Å; E112-R116 WeakPolarHBondContact O-CG 3.37Å; E112-R116 PolarHBondContact O-N 2.74Å; E112-R116 VanDerWaalsContact O-N 3.15Å; E112-R116 PolarHBondContact O-NH1 3.33Å; E112-A378 HydrophobicContact CG-CB 4.35Å
113L94.4Very high93.5Very high2 Ų231.3 Ų31.31%0.0115%0.145CC..Hα-helixtrans-60.8-53.3170.5168.753000110.7S109 L110 K115 R116 R117 V120 F128 C289 L290S109-L113 PolarHBondContact O-N 3.27Å; L110-L113 HydrophobicContact CD2-CD2 3.97Å; L110-L113 PolarHBondContact O-N 3.4Å; L113-K115 VanDerWaalsContact C-N 3.31Å; L113-K115 PolarHBondContact O-N 3.13Å; L113-R116 PolarHBondContact O-N 2.96Å; L113-R117 HydrophobicContact CD1-CB 4.39Å; L113-R117 HydrophobicContact CD1-CG 4.21Å; L113-R117 PolarHBondContact O-N 3.09Å; L113-V120 HydrophobicContact CD1-CG1 4.31Å; L113-V120 HydrophobicContact CD2-CG1 4.11Å; L113-V120 HydrophobicContact CG-CG1 4.13Å; L113-F128 HydrophobicContact CD2-CE2 3.63Å; L113-F128 HydrophobicContact CD2-CZ 3.7Å; L113-C289 WeakPolarHBondContact CD1-O 3.45Å; L113-L290 HydrophobicContact CB-CD2 4.36Å; L113-L290 HydrophobicContact CD1-CD2 4.46Å
114H94.8Very high93.5Very high23 Ų2329.6 Ų29.611%0.10614%0.137CC..Hα-helixtrans-58.5-40.5179.1175.479.7000112.3L110 L111 R116 K118 L151 T215 G219L110-H114 VanDerWaalsContact O-CB 3.24Å; L110-H114 WeakPolarHBondContact O-CB 3.27Å; L110-H114 PolarHBondContact O-N 3.25Å; L111-H114 PolarHBondContact O-N 2.81Å; H114-R116 VanDerWaalsContact C-N 3.33Å; H114-R116 PolarHBondContact O-N 2.98Å; H114-K118 PolarHBondContact CE1-O 2.93Å; H114-K118 PolarHBondContact ND1-O 3.4Å; H114-K118 WeakPolarHBondContact O-CA 3.14Å; H114-K118 PolarHBondContact O-N 3.23Å; H114-L151 HydrophobicContact CB-CD1 3.96Å; H114-T215 PolarHBondContact CE1-O 2.78Å; H114-G219 VanDerWaalsContact CE1-C 3.47Å; H114-G219 PolarHBondContact CE1-O 3.19Å; H114-G219 VanDerWaalsContact CE1-O 3.24Å
115K91.7Very high93.6Very high68 Ų6828.4 Ų28.430%0.29613%0.13SC..Hα-helixtrans-63.2-38174.4-76.4169-178.2160.40112.8L111 E112 L113 M521L111-K115 HydrophobicContact CD1-CG 4.5Å; L111-K115 HydrophobicContact CG-CD 4.24Å; L111-K115 WeakPolarHBondContact O-CB 3.3Å; L111-K115 VanDerWaalsContact O-CG 3.26Å; L111-K115 WeakPolarHBondContact O-CG 3.49Å; L111-K115 PolarHBondContact O-N 3.48Å; E112-K115 IonicContact OE1-NZ 2.68Å; L113-K115 VanDerWaalsContact C-N 3.31Å; L113-K115 PolarHBondContact O-N 3.13Å; K115-M521 HydrophobicContact CB-CE 4.32Å; K115-M521 HydrophobicContact CB-SD 3.7Å; K115-M521 HydrophobicContact CD-CE 4.37Å
116R91.1Very high93.8Very high29 Ų2928 Ų2811%0.10913%0.127CC..Hα-helixtrans-75.9-31.1-179.3-76.4174.417867-0.6113.7E112 L113 H114 L290 A378 C380 L520 M521E112-R116 VanDerWaalsContact O-CG 3.31Å; E112-R116 WeakPolarHBondContact O-CG 3.37Å; E112-R116 PolarHBondContact O-N 2.74Å; E112-R116 VanDerWaalsContact O-N 3.15Å; E112-R116 PolarHBondContact O-NH1 3.33Å; L113-R116 PolarHBondContact O-N 2.96Å; H114-R116 VanDerWaalsContact C-N 3.33Å; H114-R116 PolarHBondContact O-N 2.98Å; R116-L290 WeakPolarHBondContact CB-O 3.25Å; R116-L290 VanDerWaalsContact CD-O 3.26Å; R116-L290 WeakPolarHBondContact CD-O 3Å; R116-A378 PolarHBondContact NH1-O 3.03Å; R116-A378 PolarHBondContact NH2-O 3.24Å; R116-C380 PolarHBondContact NH2-O 3.41Å; R116-L520 WeakPolarHBondContact O-CD1 3.4Å; R116-M521 HydrophobicContact CG-CG 3.95Å; R116-M521 HydrophobicContact CG-SD 3.52Å; R116-M521 VanDerWaalsContact CG-SD 3.52Å; R116-M521 PolarHBondContact NH1-SD 2.94Å; R116-M521 VanDerWaalsContact NH1-SD 3.42Å
117R91.4Very high94.3Very high29 Ų2926.3 Ų26.311%0.10912%0.117CC..Hα-helixtrans-118.5-9.1-172.9-73.4-169.255.3-159.9-13.6115.7L113 Y119 E124 C289 T292L113-R117 HydrophobicContact CD1-CB 4.39Å; L113-R117 HydrophobicContact CD1-CG 4.21Å; L113-R117 PolarHBondContact O-N 3.09Å; R117-Y119 PolarHBondContact O-N 2.88Å; R117-E124 IonicContact CZ-OE1 3.49Å; R117-E124 IonicContact CZ-OE2 2.91Å; R117-E124 VanDerWaalsContact NH1-CD 3.3Å; R117-E124 IonicContact NH1-OE1 3.9Å; R117-E124 PolarHBondContact NH1-OE1 3.36Å; R117-E124 IonicContact NH1-OE2 2.69Å; R117-E124 PolarHBondContact NH1-OE2 3.39Å; R117-E124 VanDerWaalsContact NH1-OE2 3.16Å; R117-E124 IonicContact NH2-OE1 3.52Å; R117-E124 IonicContact NH2-OE2 3.85Å; R117-E124 PolarHBondContact NH2-OE2 2.83Å; R117-C289 WeakPolarHBondContact CD-O 3.43Å; R117-C289 PolarHBondContact NH1-O 3.1Å; R117-T292 PolarHBondContact NH1-O 3.1Å
118K90.6Very high94.7Very high70 Ų7023.9 Ų23.930%0.30411%0.108SC..SBendtrans65-51.6-171.1-59.3-60-173.21790114H114 G219H114-K118 PolarHBondContact CE1-O 2.93Å; H114-K118 PolarHBondContact ND1-O 3.4Å; H114-K118 WeakPolarHBondContact O-CA 3.14Å; H114-K118 PolarHBondContact O-N 3.23Å; K118-G219 WeakPolarHBondContact O-CA 3.44Å
119Y92.8Very high95.1Very high47 Ų4721.5 Ų21.518%0.18410%0.099CC..SBendtrans-144163.617657.3-89.1000109.6R117 L216 A338 V339R117-Y119 PolarHBondContact O-N 2.88Å; Y119-L216 CarbonylContact C-O 3.58Å; Y119-L216 VanDerWaalsContact CA-O 3.23Å; Y119-L216 WeakPolarHBondContact CA-O 3.03Å; Y119-L216 WeakPolarHBondContact CB-O 3.49Å; Y119-A338 HydrophobicContact CE2-CB 4.2Å; Y119-A338 VanDerWaalsContact OH-CA 3.29Å; Y119-A338 WeakPolarHBondContact OH-CA 3.04Å; Y119-V339 PolarHBondContact OH-N 3.39Å
120V95.4Very high95.3Very high4 Ų425.9 Ų25.92%0.02412%0.117CC..  trans-117.4164.7177-59.20000109.7L113 E124 A125 L216L113-V120 HydrophobicContact CD1-CG1 4.31Å; L113-V120 HydrophobicContact CD2-CG1 4.11Å; L113-V120 HydrophobicContact CG-CG1 4.13Å; V120-E124 HydrophobicContact CB-CB 3.97Å; V120-E124 HydrophobicContact CG2-CB 4.23Å; V120-A125 HydrophobicContact CG2-CB 4.18Å; V120-L216 HydrophobicContact CG2-CB 3.89Å; V120-L216 HydrophobicContact CG2-CD2 4.18Å; V120-L216 PolarHBondContact N-O 2.84Å
121T94.8Very high95.3Very high20 Ų2026.8 Ų26.812%0.12312%0.122CC..  trans-77.1165.417667.60000111.3E124 A125 C293 F296T121-E124 PolarHBondContact N-OE2 2.81Å; T121-E124 WeakPolarHBondContact O-CB 3.29Å; T121-E124 PolarHBondContact O-N 3.26Å; T121-E124 WeakPolarHBondContact OG1-CG 3.46Å; T121-E124 PolarHBondContact OG1-OE2 2.81Å; T121-A125 PolarHBondContact O-N 2.83Å; T121-C293 WeakPolarHBondContact CG2-SG 3.44Å; T121-F296 HydrophobicContact CG2-CE2 4.28Å; T121-F296 WeakPolarHBondContact OG1-CE2 3.38Å
122E96.7Very high95.5Very high38 Ų3824.7 Ų24.718%0.17811%0.111CC..Hα-helixtrans-61.9-41.2178.2-64.8-171.3-172.200114.3E124 A125 R126 L217 S247 F276E122-E124 VanDerWaalsContact C-N 3.3Å; E122-E124 PolarHBondContact O-N 3.36Å; E122-A125 PolarHBondContact O-N 3.45Å; E122-R126 VanDerWaalsContact O-CB 3.32Å; E122-R126 WeakPolarHBondContact O-CB 3.41Å; E122-R126 PolarHBondContact O-N 2.91Å; E122-L217 HydrophobicContact CG-CD1 4.4Å; E122-L217 HydrophobicContact CG-CD2 3.85Å; E122-S247 WeakPolarHBondContact OE1-CB 3.31Å; E122-S247 PolarHBondContact OE1-N 2.89Å; E122-S247 PolarHBondContact OE1-OG 3.22Å; E122-S247 WeakPolarHBondContact OE2-CB 3.22Å; E122-S247 PolarHBondContact OE2-OG 2.93Å; E122-F276 HydrophobicContact CB-CE2 4.26Å; E122-F276 HydrophobicContact CG-CE2 4.42Å
123P95.9Very high95.7Very high25 Ų2523.4 Ų23.416%0.16211%0.105CC..Hα-helixtrans-60-37.4173.1-25.734.6000113.8Y127 F280 P282 F296P123-Y127 WeakPolarHBondContact O-CB 3.3Å; P123-Y127 PolarHBondContact O-N 3.02Å; P123-F280 HydrophobicContact CB-CD1 4.09Å; P123-F280 HydrophobicContact CB-CE1 4.33Å; P123-F280 HydrophobicContact CG-CD1 4.3Å; P123-P282 VanDerWaalsContact O-CD 3.27Å; P123-P282 WeakPolarHBondContact O-CD 3.29Å; P123-F296 HydrophobicContact CB-CD1 4Å; P123-F296 HydrophobicContact CB-CD2 4.5Å; P123-F296 HydrophobicContact CB-CE1 3.54Å; P123-F296 HydrophobicContact CB-CE2 4.07Å; P123-F296 HydrophobicContact CB-CG 4.48Å; P123-F296 HydrophobicContact CB-CZ 3.59Å; P123-F296 HydrophobicContact CG-CD1 4.25Å; P123-F296 HydrophobicContact CG-CD2 4.25Å; P123-F296 HydrophobicContact CG-CE1 4.22Å; P123-F296 HydrophobicContact CG-CE2 4.19Å; P123-F296 HydrophobicContact CG-CG 4.29Å; P123-F296 HydrophobicContact CG-CZ 4.2Å
124E96.4Very high95.9Very high0 Ų026.3 Ų26.30%012%0.118CC..Hα-helixtrans-66.9-47.1173.9-64.2-179.396.400111.2R117 V120 T121 E122 R126 Y127 F128 L285 P294 F296R117-E124 IonicContact CZ-OE1 3.49Å; R117-E124 IonicContact CZ-OE2 2.91Å; R117-E124 VanDerWaalsContact NH1-CD 3.3Å; R117-E124 IonicContact NH1-OE1 3.9Å; R117-E124 PolarHBondContact NH1-OE1 3.36Å; R117-E124 IonicContact NH1-OE2 2.69Å; R117-E124 PolarHBondContact NH1-OE2 3.39Å; R117-E124 VanDerWaalsContact NH1-OE2 3.16Å; R117-E124 IonicContact NH2-OE1 3.52Å; R117-E124 IonicContact NH2-OE2 3.85Å; R117-E124 PolarHBondContact NH2-OE2 2.83Å; V120-E124 HydrophobicContact CB-CB 3.97Å; V120-E124 HydrophobicContact CG2-CB 4.23Å; T121-E124 PolarHBondContact N-OE2 2.81Å; T121-E124 WeakPolarHBondContact O-CB 3.29Å; T121-E124 PolarHBondContact O-N 3.26Å; T121-E124 WeakPolarHBondContact OG1-CG 3.46Å; T121-E124 PolarHBondContact OG1-OE2 2.81Å; E122-E124 VanDerWaalsContact C-N 3.3Å; E122-E124 PolarHBondContact O-N 3.36Å; E124-R126 VanDerWaalsContact C-N 3.3Å; E124-R126 PolarHBondContact O-N 3.48Å; E124-Y127 WeakPolarHBondContact O-CB 3.41Å; E124-Y127 PolarHBondContact O-N 3.45Å; E124-F128 HydrophobicContact CB-CE2 4.19Å; E124-F128 WeakPolarHBondContact O-CD2 3.38Å; E124-F128 PolarHBondContact O-N 3.01Å; E124-L285 HydrophobicContact CB-CD1 4.33Å; E124-L285 HydrophobicContact CG-CD1 4.24Å; E124-L285 HydrophobicContact CG-CD2 4.19Å; E124-P294 VanDerWaalsContact CD-CG 3.4Å; E124-P294 HydrophobicContact CG-CG 3.65Å; E124-P294 VanDerWaalsContact OE1-CD 3.23Å; E124-P294 WeakPolarHBondContact OE1-CD 3.36Å; E124-P294 WeakPolarHBondContact OE1-CG 3.38Å; E124-P294 WeakPolarHBondContact OE2-CD 3.35Å; E124-F296 HydrophobicContact CG-CE2 4.25Å; E124-F296 HydrophobicContact CG-CZ 3.87Å
125A98Very high96.1Very high0 Ų025.2 Ų25.20%011%0.113CC..Hα-helixtrans-57.3-46.2176.500000110.5V120 T121 E122 Y127 F128 M129 L213 L217 F276V120-A125 HydrophobicContact CG2-CB 4.18Å; T121-A125 PolarHBondContact O-N 2.83Å; E122-A125 PolarHBondContact O-N 3.45Å; A125-Y127 PolarHBondContact O-N 3.03Å; A125-F128 PolarHBondContact O-N 2.83Å; A125-M129 WeakPolarHBondContact O-CB 3.31Å; A125-M129 WeakPolarHBondContact O-CG 3.32Å; A125-M129 PolarHBondContact O-N 3.4Å; A125-L213 HydrophobicContact CB-CD1 4.16Å; A125-L217 HydrophobicContact CB-CD2 3.65Å; A125-L217 HydrophobicContact CB-CG 4.24Å; A125-F276 HydrophobicContact CB-CZ 4.42Å
126R97.9Very high96.4Very high5 Ų522 Ų222%0.01910%0.099CC..Hα-helixtrans-58.3-45.5176.7-167.5179.6-66.2101.59.3112.3E122 E124 F128 M129 K130 F276 F277 D279 F280 T281E122-R126 VanDerWaalsContact O-CB 3.32Å; E122-R126 WeakPolarHBondContact O-CB 3.41Å; E122-R126 PolarHBondContact O-N 2.91Å; E124-R126 VanDerWaalsContact C-N 3.3Å; E124-R126 PolarHBondContact O-N 3.48Å; R126-F128 PolarHBondContact O-N 2.71Å; R126-M129 PolarHBondContact O-N 3.31Å; R126-K130 WeakPolarHBondContact O-CB 3.31Å; R126-K130 PolarHBondContact O-N 2.7Å; R126-F276 HydrophobicContact CB-CE1 4.1Å; R126-F276 HydrophobicContact CB-CZ 4.2Å; R126-F276 HydrophobicContact CG-CE1 4.33Å; R126-F276 VanDerWaalsContact CZ-O 3.24Å; R126-F276 PolarHBondContact NE-O 2.9Å; R126-F276 PolarHBondContact NH2-O 2.9Å; R126-F277 HydrophobicContact CG-CD1 3.67Å; R126-F277 HydrophobicContact CG-CE1 4.19Å; R126-D279 WeakPolarHBondContact CD-O 3.41Å; R126-D279 PolarHBondContact NE-O 2.86Å; R126-D279 VanDerWaalsContact NH2-CB 3.32Å; R126-D279 IonicContact NH2-OD2 2.64Å; R126-F280 PolarHBondContact NH1-O 3.14Å; R126-T281 HydrophobicContact CB-CG2 4.43Å; R126-T281 WeakPolarHBondContact CD-OG1 3.27Å; R126-T281 HydrophobicContact CG-CG2 3.96Å; R126-T281 WeakPolarHBondContact CG-OG1 3.48Å
127Y97.5Very high96.7Very high17 Ų1722 Ų227%0.06710%0.1CC..Hα-helixtrans-58.1-47176.4173.5-101000112.7P123 E124 A125 Q131 L160 P282 L285P123-Y127 WeakPolarHBondContact O-CB 3.3Å; P123-Y127 PolarHBondContact O-N 3.02Å; E124-Y127 WeakPolarHBondContact O-CB 3.41Å; E124-Y127 PolarHBondContact O-N 3.45Å; A125-Y127 PolarHBondContact O-N 3.03Å; Y127-Q131 PolarHBondContact O-NE2 2.99Å; Y127-L160 WeakPolarHBondContact CE1-O 3.37Å; Y127-P282 WeakPolarHBondContact CD2-O 3.46Å; Y127-P282 HydrophobicContact CG-CG 4.45Å; Y127-L285 HydrophobicContact CD1-CD1 3.33Å; Y127-L285 HydrophobicContact CD1-CG 3.7Å; Y127-L285 HydrophobicContact CE1-CB 4.37Å; Y127-L285 HydrophobicContact CE1-CD1 3.82Å; Y127-L285 HydrophobicContact CE1-CG 3.94Å; Y127-L285 HydrophobicContact CG-CD1 4.02Å; Y127-L285 HydrophobicContact CG-CG 4.09Å
128F98.5Very high97.1Very high0 Ų022.4 Ų22.40%010%0.102CC..Hα-helixtrans-69.6-46.8177.7-62.2-50.9000111.6L110 L113 E124 A125 R126 K130 Q131 I132 L156 I162 L285L110-F128 HydrophobicContact CD1-CB 4.39Å; L110-F128 HydrophobicContact CD2-CD1 3.98Å; L110-F128 HydrophobicContact CD2-CD2 4.1Å; L110-F128 HydrophobicContact CD2-CE1 4.06Å; L110-F128 HydrophobicContact CD2-CE2 4.18Å; L110-F128 HydrophobicContact CD2-CG 4.01Å; L110-F128 HydrophobicContact CD2-CZ 4.16Å; L113-F128 HydrophobicContact CD2-CE2 3.63Å; L113-F128 HydrophobicContact CD2-CZ 3.7Å; E124-F128 HydrophobicContact CB-CE2 4.19Å; E124-F128 WeakPolarHBondContact O-CD2 3.38Å; E124-F128 PolarHBondContact O-N 3.01Å; A125-F128 PolarHBondContact O-N 2.83Å; R126-F128 PolarHBondContact O-N 2.71Å; F128-K130 PolarHBondContact O-N 2.8Å; F128-Q131 PolarHBondContact O-N 3.32Å; F128-I132 HydrophobicContact CB-CD1 4.48Å; F128-I132 VanDerWaalsContact O-CG1 3.27Å; F128-I132 WeakPolarHBondContact O-CG1 3.13Å; F128-I132 PolarHBondContact O-N 3.23Å; F128-L156 HydrophobicContact CD1-CD2 4.22Å; F128-L156 HydrophobicContact CE1-CD2 3.82Å; F128-I162 HydrophobicContact CB-CD1 4.17Å; F128-I162 HydrophobicContact CB-CG1 4.31Å; F128-I162 HydrophobicContact CD1-CD1 3.8Å; F128-I162 HydrophobicContact CD1-CG1 4.07Å; F128-I162 HydrophobicContact CG-CD1 4.31Å; F128-L285 HydrophobicContact CE1-CD1 3.92Å; F128-L285 HydrophobicContact CE2-CD1 4Å; F128-L285 HydrophobicContact CZ-CD1 3.5Å; F128-L285 VanDerWaalsContact CZ-CD1 3.5Å
129M98.6Very high97.4Very high0 Ų019 Ų190%09%0.087CC..Hα-helixtrans-62.5-39.9-175.8-68.7-66.1-6600112.4A125 R126 Q131 I132 V133 L209 I212 L213 L216 F277A125-M129 WeakPolarHBondContact O-CB 3.31Å; A125-M129 WeakPolarHBondContact O-CG 3.32Å; A125-M129 PolarHBondContact O-N 3.4Å; R126-M129 PolarHBondContact O-N 3.31Å; M129-Q131 VanDerWaalsContact C-N 3.29Å; M129-Q131 PolarHBondContact O-N 2.97Å; M129-I132 PolarHBondContact O-N 2.96Å; M129-I132 HydrophobicContact SD-CD1 4Å; M129-V133 WeakPolarHBondContact O-CB 3.43Å; M129-V133 VanDerWaalsContact O-CG2 3.25Å; M129-V133 WeakPolarHBondContact O-CG2 3.5Å; M129-V133 PolarHBondContact O-N 3.01Å; M129-L209 HydrophobicContact CE-CD1 3.21Å; M129-L209 HydrophobicContact CE-CD2 4.12Å; M129-L209 HydrophobicContact CE-CG 3.38Å; M129-L209 HydrophobicContact SD-CD1 3.85Å; M129-I212 HydrophobicContact SD-CG2 3.94Å; M129-L213 HydrophobicContact CE-CB 3.71Å; M129-L213 HydrophobicContact CE-CD2 4.4Å; M129-L213 HydrophobicContact CE-CG 4.42Å; M129-L213 HydrophobicContact CG-CD1 4.12Å; M129-L213 HydrophobicContact SD-CB 4.15Å; M129-L216 HydrophobicContact SD-CD1 4.47Å; M129-F277 HydrophobicContact CB-CE1 3.9Å; M129-F277 HydrophobicContact CB-CZ 3.92Å
130K98.3Very high97.5Very high94 Ų9417.5 Ų17.541%0.4098%0.082SC..Hα-helixtrans-57.3-44.3175.9-173.9174.7-177.5176.60111.9R126 F128 V133 H134 L272 F277R126-K130 WeakPolarHBondContact O-CB 3.31Å; R126-K130 PolarHBondContact O-N 2.7Å; F128-K130 PolarHBondContact O-N 2.8Å; K130-V133 PolarHBondContact O-N 2.95Å; K130-H134 PolarHBondContact O-CD2 2.77Å; K130-H134 PolarHBondContact O-N 2.83Å; K130-L272 HydrophobicContact CB-CD2 4.39Å; K130-L272 HydrophobicContact CG-CD1 4.36Å; K130-L272 HydrophobicContact CG-CD2 4.16Å; K130-F277 HydrophobicContact CB-CE1 4.33Å
131Q98.5Very high97.5Very high20 Ų2023.5 Ų23.59%0.09311%0.109CC..Hα-helixtrans-70.9-38178.7-67.6175.876.500112.8N84 Y127 F128 M129 V133 H134 G135 I162N84-Q131 WeakPolarHBondContact CB-O 3.06Å; N84-Q131 PolarHBondContact OD1-O 2.59Å; Y127-Q131 PolarHBondContact O-NE2 2.99Å; F128-Q131 PolarHBondContact O-N 3.32Å; M129-Q131 VanDerWaalsContact C-N 3.29Å; M129-Q131 PolarHBondContact O-N 2.97Å; Q131-V133 VanDerWaalsContact C-N 3.33Å; Q131-H134 PolarHBondContact O-N 3.19Å; Q131-G135 PolarHBondContact O-N 2.78Å; Q131-I162 HydrophobicContact CB-CB 3.82Å; Q131-I162 HydrophobicContact CB-CG1 3.93Å
132I98.7Very high97.6Very high0 Ų025.3 Ų25.30%012%0.118CC..Hα-helixtrans-61.4-45.4174.3-63.3160.8000109.7L110 F128 M129 G135 C136 L154 I162 L209 I212L110-I132 HydrophobicContact CD1-CD1 4.18Å; F128-I132 HydrophobicContact CB-CD1 4.48Å; F128-I132 VanDerWaalsContact O-CG1 3.27Å; F128-I132 WeakPolarHBondContact O-CG1 3.13Å; F128-I132 PolarHBondContact O-N 3.23Å; M129-I132 PolarHBondContact O-N 2.96Å; M129-I132 HydrophobicContact SD-CD1 4Å; I132-G135 PolarHBondContact O-N 2.93Å; I132-C136 PolarHBondContact O-N 3.37Å; I132-C136 PolarHBondContact O-SG 2.85Å; I132-L154 HydrophobicContact CD1-CD1 3.61Å; I132-L154 HydrophobicContact CG1-CD1 4.1Å; I132-L154 HydrophobicContact CG1-CD2 4.07Å; I132-L154 HydrophobicContact CG2-CD2 4.35Å; I132-I162 HydrophobicContact CG1-CD1 4.34Å; I132-I162 HydrophobicContact CG1-CG1 4.16Å; I132-I162 HydrophobicContact CG1-CG2 3.82Å; I132-L209 HydrophobicContact CB-CD1 4.24Å; I132-L209 HydrophobicContact CG2-CD1 3.58Å; I132-I212 HydrophobicContact CD1-CG2 4.26Å
133V98.5Very high97.5Very high0 Ų028.1 Ų28.10%013%0.13CC..Hα-helixtrans-62.3-47.7178.5173.10000110.9M129 K130 Q131 G135 C136 Q137 L209 M268 V271 L272M129-V133 WeakPolarHBondContact O-CB 3.43Å; M129-V133 VanDerWaalsContact O-CG2 3.25Å; M129-V133 WeakPolarHBondContact O-CG2 3.5Å; M129-V133 PolarHBondContact O-N 3.01Å; K130-V133 PolarHBondContact O-N 2.95Å; Q131-V133 VanDerWaalsContact C-N 3.33Å; V133-G135 VanDerWaalsContact C-N 3.32Å; V133-G135 PolarHBondContact O-N 2.75Å; V133-C136 CarbonylContact O-C 3.57Å; V133-C136 PolarHBondContact O-N 2.87Å; V133-C136 VanDerWaalsContact O-N 3.07Å; V133-Q137 HydrophobicContact CG1-CG 4.2Å; V133-Q137 VanDerWaalsContact O-CG 3.32Å; V133-Q137 WeakPolarHBondContact O-CG 3.39Å; V133-Q137 PolarHBondContact O-N 3.19Å; V133-L209 HydrophobicContact CG2-CD2 3.61Å; V133-M268 HydrophobicContact CB-SD 4.32Å; V133-M268 HydrophobicContact CG1-CG 4.21Å; V133-M268 WeakPolarHBondContact CG1-O 3.4Å; V133-M268 HydrophobicContact CG1-SD 4.01Å; V133-M268 HydrophobicContact CG2-SD 4.15Å; V133-V271 HydrophobicContact CG1-CB 4.24Å; V133-V271 HydrophobicContact CG2-CB 4.26Å; V133-V271 HydrophobicContact CG2-CG1 3.73Å; V133-L272 HydrophobicContact CB-CD2 3.92Å; V133-L272 HydrophobicContact CB-CG 4.27Å; V133-L272 HydrophobicContact CG1-CD1 4.1Å; V133-L272 HydrophobicContact CG1-CD2 3.88Å; V133-L272 HydrophobicContact CG1-CG 3.69Å; V133-L272 HydrophobicContact CG2-CD2 4.16Å
134H98.5Very high97.5Very high63 Ų6326.9 Ų26.929%0.29212%0.122SC..Hα-helixtrans-57.7-43.3175.2-76.4-49.8000112.8K130 Q131 C136 Q137 Y138K130-H134 PolarHBondContact O-CD2 2.77Å; K130-H134 PolarHBondContact O-N 2.83Å; Q131-H134 PolarHBondContact O-N 3.19Å; H134-C136 VanDerWaalsContact C-N 3.34Å; H134-C136 PolarHBondContact O-N 3.29Å; H134-Q137 PolarHBondContact ND1-OE1 2.88Å; H134-Q137 VanDerWaalsContact ND1-OE1 3.16Å; H134-Q137 PolarHBondContact O-N 3.06Å; H134-Y138 PolarHBondContact O-N 2.78Å; H134-Y138 VanDerWaalsContact O-N 3.13Å
135G98.4Very high97.3Very high0 Ų026.9 Ų26.90%012%0.122CC..Hα-helixtrans-59.5-43.3173.100000112.7Q131 I132 V133 Y138 L139Q131-G135 PolarHBondContact O-N 2.78Å; I132-G135 PolarHBondContact O-N 2.93Å; V133-G135 VanDerWaalsContact C-N 3.32Å; V133-G135 PolarHBondContact O-N 2.75Å; G135-Y138 WeakPolarHBondContact O-CB 3.41Å; G135-Y138 PolarHBondContact O-N 2.97Å; G135-L139 WeakPolarHBondContact O-CG 3.26Å; G135-L139 PolarHBondContact O-N 2.8Å; G135-L139 VanDerWaalsContact O-N 3.1Å
136C98.2Very high97.1Very high0 Ų026.9 Ų26.90%012%0.122CC..Hα-helixtrans-69.9-39.1179.1-64.50000112.8I132 V133 H134 Y138 L139 H140 L149 M268I132-C136 PolarHBondContact O-N 3.37Å; I132-C136 PolarHBondContact O-SG 2.85Å; V133-C136 CarbonylContact O-C 3.57Å; V133-C136 PolarHBondContact O-N 2.87Å; V133-C136 VanDerWaalsContact O-N 3.07Å; H134-C136 VanDerWaalsContact C-N 3.34Å; H134-C136 PolarHBondContact O-N 3.29Å; C136-Y138 VanDerWaalsContact C-N 3.28Å; C136-Y138 PolarHBondContact O-N 3.07Å; C136-L139 PolarHBondContact O-N 3.07Å; C136-L139 VanDerWaalsContact O-N 3.15Å; C136-H140 WeakPolarHBondContact O-CB 3.49Å; C136-H140 PolarHBondContact O-CD2 3.31Å; C136-H140 VanDerWaalsContact O-CG 3.29Å; C136-H140 PolarHBondContact O-N 2.78Å; C136-L149 VanDerWaalsContact SG-CD1 3.57Å; C136-M268 HydrophobicContact CB-CE 3.77Å; C136-M268 HydrophobicContact CB-CG 3.5Å; C136-M268 HydrophobicContact CB-SD 3.63Å
137Q98.1Very high96.7Very high29 Ų2928 Ų2814%0.13613%0.126CC..Hα-helixtrans-54.7-47.5172.6-73.2172-16.400110.4V133 H134 L139 H140 Q141 M268 F269V133-Q137 HydrophobicContact CG1-CG 4.2Å; V133-Q137 VanDerWaalsContact O-CG 3.32Å; V133-Q137 WeakPolarHBondContact O-CG 3.39Å; V133-Q137 PolarHBondContact O-N 3.19Å; H134-Q137 PolarHBondContact ND1-OE1 2.88Å; H134-Q137 VanDerWaalsContact ND1-OE1 3.16Å; H134-Q137 PolarHBondContact O-N 3.06Å; Q137-L139 PolarHBondContact O-N 3.48Å; Q137-H140 PolarHBondContact O-N 2.9Å; Q137-Q141 WeakPolarHBondContact O-CB 3.36Å; Q137-Q141 VanDerWaalsContact O-CG 3.27Å; Q137-Q141 WeakPolarHBondContact O-CG 3.23Å; Q137-Q141 PolarHBondContact O-N 3.5Å; Q137-M268 HydrophobicContact CG-CB 4.29Å; Q137-M268 HydrophobicContact CG-CG 3.86Å; Q137-M268 WeakPolarHBondContact CG-O 3.45Å; Q137-M268 PolarHBondContact NE2-O 2.84Å; Q137-F269 HydrophobicContact CB-CD1 4.18Å; Q137-F269 HydrophobicContact CB-CE1 3.79Å; Q137-F269 HydrophobicContact CB-CZ 4.49Å; Q137-F269 HydrophobicContact CG-CD1 3.85Å; Q137-F269 HydrophobicContact CG-CE1 3.96Å
138Y98.4Very high96.5Very high38 Ų3827.7 Ų27.715%0.14913%0.126CC..Hα-helixtrans-60.4-44.3175.9171.1-97.6000112.7L80 K81 H82 V85 H134 G135 C136 N142L80-Y138 HydrophobicContact CB-CE1 4.17Å; L80-Y138 HydrophobicContact CD2-CE1 3.85Å; K81-Y138 PolarHBondContact N-OH 2.68Å; K81-Y138 PolarHBondContact O-OH 2.83Å; H82-Y138 HydrophobicContact CB-CD1 3.45Å; H82-Y138 VanDerWaalsContact CB-CD1 3.45Å; H82-Y138 HydrophobicContact CB-CD2 4.06Å; H82-Y138 HydrophobicContact CB-CE1 3.66Å; H82-Y138 HydrophobicContact CB-CE2 4.25Å; H82-Y138 HydrophobicContact CB-CG 3.66Å; H82-Y138 AromaticContact CD2-CD2 3.8Å; H82-Y138 AromaticContact CD2-CG 3.65Å; H82-Y138 AromaticContact CG-CD1 3.91Å; H82-Y138 AromaticContact CG-CG 3.68Å; V85-Y138 HydrophobicContact CG2-CD1 4.2Å; H134-Y138 PolarHBondContact O-N 2.78Å; H134-Y138 VanDerWaalsContact O-N 3.13Å; G135-Y138 WeakPolarHBondContact O-CB 3.41Å; G135-Y138 PolarHBondContact O-N 2.97Å; C136-Y138 VanDerWaalsContact C-N 3.28Å; C136-Y138 PolarHBondContact O-N 3.07Å; Y138-N142 WeakPolarHBondContact CE2-ND2 3.46Å; Y138-N142 PolarHBondContact O-N 3.27Å; Y138-N142 VanDerWaalsContact O-N 3.12Å; Y138-N142 PolarHBondContact O-ND2 3.32Å
139L97.7Very high96.3Very high0 Ų027.7 Ų27.70%013%0.126CC..Hα-helixtrans-60.8-47.3176.9-66178.9000111.3L80 V85 G135 C136 Q137 N142 K143 V144 H146 I164 F167L80-L139 HydrophobicContact CD1-CD2 3.56Å; L80-L139 HydrophobicContact CD2-CD2 3.92Å; L80-L139 HydrophobicContact CG-CD2 4.32Å; V85-L139 HydrophobicContact CG2-CD2 4.22Å; G135-L139 WeakPolarHBondContact O-CG 3.26Å; G135-L139 PolarHBondContact O-N 2.8Å; G135-L139 VanDerWaalsContact O-N 3.1Å; C136-L139 PolarHBondContact O-N 3.07Å; C136-L139 VanDerWaalsContact O-N 3.15Å; Q137-L139 PolarHBondContact O-N 3.48Å; L139-N142 CarbonylContact O-C 3.39Å; L139-N142 WeakPolarHBondContact O-CA 3.23Å; L139-N142 PolarHBondContact O-N 3.12Å; L139-N142 VanDerWaalsContact O-N 3.08Å; L139-K143 PolarHBondContact O-N 3.39Å; L139-V144 CarbonylContact C-O 3.53Å; L139-V144 HydrophobicContact CB-CB 4.38Å; L139-V144 HydrophobicContact CD2-CG1 4.37Å; L139-V144 PolarHBondContact O-N 3.39Å; L139-H146 HydrophobicContact CD1-CB 4.3Å; L139-I164 HydrophobicContact CD1-CG2 4.44Å; L139-F167 HydrophobicContact CD1-CE1 4.04Å; L139-F167 HydrophobicContact CD2-CE1 3.73Å; L139-F167 HydrophobicContact CD2-CZ 4.13Å
140H95.7Very high96.2Very high14 Ų1429.4 Ų29.47%0.06513%0.134CC..Hα-helixtrans-66-40-178.5-66.5-174.6000111.6C136 Q137 N142 K143 V144 F202 D205 F269C136-H140 WeakPolarHBondContact O-CB 3.49Å; C136-H140 PolarHBondContact O-CD2 3.31Å; C136-H140 VanDerWaalsContact O-CG 3.29Å; C136-H140 PolarHBondContact O-N 2.78Å; Q137-H140 PolarHBondContact O-N 2.9Å; H140-N142 PolarHBondContact O-N 2.81Å; H140-K143 WeakPolarHBondContact O-CA 2.88Å; H140-K143 PolarHBondContact O-N 3.4Å; H140-V144 PolarHBondContact CD2-O 2.97Å; H140-F202 HydrophobicContact CB-CD1 4.02Å; H140-F202 HydrophobicContact CB-CE1 4.03Å; H140-F202 HydrophobicContact CB-CZ 4.49Å; H140-F202 AromaticContact CD2-CD1 3.31Å; H140-F202 WeakPolarHBondContact CD2-CD1 3.24Å; H140-F202 AromaticContact CD2-CE1 3.81Å; H140-F202 AromaticContact CE1-CD1 3.94Å; H140-F202 AromaticContact CG-CD1 3.49Å; H140-F202 VanDerWaalsContact CG-CD1 3.49Å; H140-F202 AromaticContact CG-CE1 3.96Å; H140-F202 AromaticContact ND1-CD1 3.9Å; H140-F202 AromaticContact NE2-CD1 3.61Å; H140-D205 IonicContact CD2-OD2 3.41Å; H140-D205 IonicContact CE1-OD2 2.67Å; H140-D205 IonicContact NE2-OD2 2.69Å; H140-D205 PolarHBondContact NE2-OD2 3.48Å; H140-F269 HydrophobicContact CB-CZ 4.42Å
141Q95.5Very high96.1Very high130 Ų13025 Ų2561%0.60711%0.114SC*.Hα-helixtrans-57.7-36170.6-76174-11.900112.3Q137 K143 F269Q137-Q141 WeakPolarHBondContact O-CB 3.36Å; Q137-Q141 VanDerWaalsContact O-CG 3.27Å; Q137-Q141 WeakPolarHBondContact O-CG 3.23Å; Q137-Q141 PolarHBondContact O-N 3.5Å; Q141-K143 PolarHBondContact O-N 3.27Å; Q141-F269 HydrophobicContact CG-CE1 3.78Å; Q141-F269 HydrophobicContact CG-CZ 3.69Å
142N95.7Very high95.8Very high58 Ų5825.6 Ų25.631%0.3112%0.123SC..THydrogen-bonded Turntrans-84.212.6175.3-76.3-88.6000113.5L80 Y138 L139 H140 V144L80-N142 HydrophobicContact CD2-CB 4.41Å; Y138-N142 WeakPolarHBondContact CE2-ND2 3.46Å; Y138-N142 PolarHBondContact O-N 3.27Å; Y138-N142 VanDerWaalsContact O-N 3.12Å; Y138-N142 PolarHBondContact O-ND2 3.32Å; L139-N142 CarbonylContact O-C 3.39Å; L139-N142 WeakPolarHBondContact O-CA 3.23Å; L139-N142 PolarHBondContact O-N 3.12Å; L139-N142 VanDerWaalsContact O-N 3.08Å; H140-N142 PolarHBondContact O-N 2.81Å; N142-V144 HydrophobicContact CB-CG2 4.43Å; N142-V144 PolarHBondContact O-N 3.46Å
143K94.1Very high95.7Very high97 Ų9726 Ų2642%0.42213%0.125SC..THydrogen-bonded Turntrans57.331-177.7-55.8-177.7177.5-1750113.4L139 H140 Q141 R172 I173L139-K143 PolarHBondContact O-N 3.39Å; H140-K143 WeakPolarHBondContact O-CA 2.88Å; H140-K143 PolarHBondContact O-N 3.4Å; Q141-K143 PolarHBondContact O-N 3.27Å; K143-R172 CarbonylContact O-C 3.48Å; K143-R172 VanDerWaalsContact O-CA 3.27Å; K143-R172 WeakPolarHBondContact O-CA 3.41Å; K143-I173 HydrophobicContact CB-CB 4.42Å; K143-I173 PolarHBondContact O-N 3.39Å
144V95.5Very high95.6Very high0 Ų026 Ų260%013%0.125CC..EExtended strand (participates in β ladder)trans-107.6124.4178.7177.30000109.9I76 L80 L139 H140 N142 A170 R172I76-V144 HydrophobicContact CG2-CG1 3.89Å; I76-V144 HydrophobicContact CG2-CG2 4.18Å; L80-V144 HydrophobicContact CD2-CG2 4.3Å; L139-V144 CarbonylContact C-O 3.53Å; L139-V144 HydrophobicContact CB-CB 4.38Å; L139-V144 HydrophobicContact CD2-CG1 4.37Å; L139-V144 PolarHBondContact O-N 3.39Å; H140-V144 PolarHBondContact CD2-O 2.97Å; N142-V144 HydrophobicContact CB-CG2 4.43Å; N142-V144 PolarHBondContact O-N 3.46Å; V144-A170 HydrophobicContact CG1-CB 4.3Å; V144-R172 HydrophobicContact CG2-CG 4.2Å
145M92.4Very high95.6Very high0 Ų026 Ų260%012%0.124CC..EExtended strand (participates in β ladder)trans-94.9136.6165.5-65.3179.9-67.600109.5R147 A170 S171 I173 K180 S201 F202M145-R147 HydrophobicContact CB-CG 3.86Å; M145-A170 VanDerWaalsContact O-CA 3.24Å; M145-A170 WeakPolarHBondContact O-CA 3.27Å; M145-A170 WeakPolarHBondContact O-CB 3.19Å; M145-S171 WeakPolarHBondContact CE-OG 3.34Å; M145-S171 PolarHBondContact N-O 2.89Å; M145-S171 PolarHBondContact O-N 2.72Å; M145-S171 VanDerWaalsContact O-N 3.11Å; M145-I173 HydrophobicContact CE-CD1 3.95Å; M145-I173 HydrophobicContact CE-CG1 3.65Å; M145-I173 HydrophobicContact CG-CD1 3.98Å; M145-I173 HydrophobicContact CG-CG1 4.18Å; M145-I173 HydrophobicContact SD-CD1 3.76Å; M145-I173 HydrophobicContact SD-CG1 4.11Å; M145-K180 HydrophobicContact CE-CG 3.74Å; M145-S201 VanDerWaalsContact SD-O 3.42Å; M145-F202 HydrophobicContact CG-CD1 3.44Å; M145-F202 VanDerWaalsContact CG-CD1 3.44Å; M145-F202 HydrophobicContact CG-CE1 3.69Å; M145-F202 HydrophobicContact CG-CG 4.3Å; M145-F202 HydrophobicContact SD-CD1 4.48Å
146H93.7Very high95.5Very high0 Ų026 Ų260%012%0.124CC..  trans-80-46.1176.9-170.5-51.5000112.1L139 D148 L149 I164 G165 D166 D205L139-H146 HydrophobicContact CD1-CB 4.3Å; H146-D148 PolarHBondContact CE1-O 3.27Å; H146-D148 PolarHBondContact ND1-N 2.85Å; H146-D148 PolarHBondContact O-N 2.81Å; H146-D148 VanDerWaalsContact O-N 3.09Å; H146-L149 HydrophobicContact CB-CD2 4.08Å; H146-L149 HydrophobicContact CB-CG 3.93Å; H146-I164 WeakPolarHBondContact CD2-CG2 3.47Å; H146-G165 PolarHBondContact NE2-O 3.13Å; H146-D166 PolarHBondContact CE1-O 2.87Å; H146-D205 PolarHBondContact N-OD2 2.82Å; H146-D205 VanDerWaalsContact N-OD2 3.16Å
147R91.4Very high95.2Very high28 Ų2827.1 Ų27.111%0.10613%0.13CC..SBendtrans63.15.8178.8-50.9-167.9-63.4173.8-3.8117M145 L169 S171 V204 D205M145-R147 HydrophobicContact CB-CG 3.86Å; R147-L169 PolarHBondContact NE-O 2.84Å; R147-L169 PolarHBondContact NH2-O 3.38Å; R147-S171 PolarHBondContact NE-OG 2.96Å; R147-V204 HydrophobicContact CG-CG2 4.41Å; R147-D205 PolarHBondContact N-OD1 3.4Å
148D91.7Very high94.8Very high11 Ų1128.5 Ų28.56%0.05914%0.139CC..  trans-150.639.6177.4-163.238000111H146 K150 N153 L169 T186H146-D148 PolarHBondContact CE1-O 3.27Å; H146-D148 PolarHBondContact ND1-N 2.85Å; H146-D148 PolarHBondContact O-N 2.81Å; H146-D148 VanDerWaalsContact O-N 3.09Å; D148-K150 VanDerWaalsContact CG-NZ 3.35Å; D148-K150 PolarHBondContact O-N 3.46Å; D148-K150 IonicContact OD1-NZ 3.53Å; D148-K150 PolarHBondContact OD1-NZ 2.84Å; D148-K150 WeakPolarHBondContact OD2-CE 3.44Å; D148-K150 IonicContact OD2-NZ 2.62Å; D148-K150 PolarHBondContact OD2-NZ 3.28Å; D148-N153 PolarHBondContact O-ND2 3.44Å; D148-N153 PolarHBondContact OD2-ND2 2.91Å; D148-L169 HydrophobicContact CB-CB 4.3Å; D148-L169 HydrophobicContact CB-CD1 3.94Å; D148-T186 PolarHBondContact OD1-N 3.21Å; D148-T186 PolarHBondContact OD1-OG1 3Å
149L95.8Very high94.4Very high0 Ų031.2 Ų31.20%016%0.156CC..  trans-67119.2171.3-70.5174.2000108.8C136 H146 I164 D205 I212C136-L149 VanDerWaalsContact SG-CD1 3.57Å; H146-L149 HydrophobicContact CB-CD2 4.08Å; H146-L149 HydrophobicContact CB-CG 3.93Å; L149-I164 HydrophobicContact CD2-CG2 3.99Å; L149-D205 HydrophobicContact CD1-CB 3.73Å; L149-I212 HydrophobicContact CB-CD1 4.1Å
150K95.3Very high94.2Very high36 Ų3631.3 Ų31.316%0.15716%0.156CC..  trans-157.7163.1179.265.1-164.1-176.3-154.30109.6D148 A152 N153 L154 T186 Y189D148-K150 VanDerWaalsContact CG-NZ 3.35Å; D148-K150 PolarHBondContact O-N 3.46Å; D148-K150 IonicContact OD1-NZ 3.53Å; D148-K150 PolarHBondContact OD1-NZ 2.84Å; D148-K150 WeakPolarHBondContact OD2-CE 3.44Å; D148-K150 IonicContact OD2-NZ 2.62Å; D148-K150 PolarHBondContact OD2-NZ 3.28Å; K150-A152 HydrophobicContact CG-CB 4.19Å; K150-A152 PolarHBondContact O-N 3.34Å; K150-N153 WeakPolarHBondContact CE-ND2 3.47Å; K150-N153 WeakPolarHBondContact CE-OD1 3.42Å; K150-N153 HydrophobicContact CG-CB 4.12Å; K150-N153 PolarHBondContact O-N 2.95Å; K150-L154 WeakPolarHBondContact O-CG 3.28Å; K150-L154 PolarHBondContact O-N 3.36Å; K150-T186 HydrophobicContact CD-CG2 4.34Å; K150-T186 WeakPolarHBondContact CD-OG1 3.47Å; K150-T186 PolarHBondContact NZ-OG1 2.83Å; K150-Y189 HydrophobicContact CB-CD1 4.21Å; K150-Y189 HydrophobicContact CB-CD2 3.73Å; K150-Y189 HydrophobicContact CB-CE1 4.19Å; K150-Y189 HydrophobicContact CB-CE2 3.68Å; K150-Y189 HydrophobicContact CB-CG 4.01Å
151L96.5Very high94.2Very high1 Ų134.5 Ų34.51%0.00517%0.17CC..G310 helixtrans-55.7-31.3-177.8-63.3-179.6000113.9S109 L110 L111 H114 N153 I212 T215 L216S109-L151 VanDerWaalsContact CB-O 3.29Å; S109-L151 WeakPolarHBondContact CB-O 3.45Å; S109-L151 PolarHBondContact OG-O 3.46Å; L110-L151 HydrophobicContact CB-CB 4.24Å; L110-L151 HydrophobicContact CB-CD2 3.79Å; L110-L151 HydrophobicContact CD1-CD2 4.15Å; L110-L151 PolarHBondContact N-O 2.75Å; L111-L151 HydrophobicContact CB-CB 3.97Å; L111-L151 PolarHBondContact N-O 3.4Å; L111-L151 VanDerWaalsContact N-O 3.13Å; H114-L151 HydrophobicContact CB-CD1 3.96Å; L151-N153 VanDerWaalsContact C-N 3.31Å; L151-N153 PolarHBondContact O-N 2.93Å; L151-I212 HydrophobicContact CD2-CG1 4.46Å; L151-I212 HydrophobicContact CD2-CG2 3.88Å; L151-T215 HydrophobicContact CD1-CG2 3.63Å; L151-L216 HydrophobicContact CD2-CD2 3.91Å; L151-L216 HydrophobicContact CD2-CG 4.07Å
152A92.9Very high94.3Very high33 Ų3328.3 Ų28.327%0.27314%0.141SC..G310 helixtrans-70.4-22.5177.700000114.5L111 K150 F155L111-A152 HydrophobicContact CB-CB 4.39Å; L111-A152 HydrophobicContact CD2-CB 3.89Å; K150-A152 HydrophobicContact CG-CB 4.19Å; K150-A152 PolarHBondContact O-N 3.34Å; A152-F155 WeakPolarHBondContact O-CZ 3.41Å
153N94.9Very high94.5Very high8 Ų826.6 Ų26.64%0.04313%0.13CC..G310 helixtrans-101.73.3-177.7-70.7-1.5000112.1D148 K150 L151 G165 D166D148-N153 PolarHBondContact O-ND2 3.44Å; D148-N153 PolarHBondContact OD2-ND2 2.91Å; K150-N153 WeakPolarHBondContact CE-ND2 3.47Å; K150-N153 WeakPolarHBondContact CE-OD1 3.42Å; K150-N153 HydrophobicContact CG-CB 4.12Å; K150-N153 PolarHBondContact O-N 2.95Å; L151-N153 VanDerWaalsContact C-N 3.31Å; L151-N153 PolarHBondContact O-N 2.93Å; N153-G165 WeakPolarHBondContact CB-O 3.31Å; N153-G165 PolarHBondContact O-N 2.89Å; N153-D166 HydrophobicContact CB-CB 4.46Å
154L97.9Very high94.7Very high0 Ų022 Ų220%011%0.11CC..EExtended strand (participates in β ladder)trans-107.290.3178.1-64.3175.1000108.8S109 L110 I132 K150 I162 I164 I212S109-L154 CarbonylContact C-O 3.6Å; S109-L154 WeakPolarHBondContact CA-O 3.39Å; S109-L154 WeakPolarHBondContact CB-O 3.42Å; L110-L154 HydrophobicContact CB-CB 4.37Å; L110-L154 HydrophobicContact CD1-CB 3.93Å; L110-L154 HydrophobicContact CD1-CD1 3.83Å; L110-L154 HydrophobicContact CG-CB 4.02Å; L110-L154 PolarHBondContact N-O 2.86Å; I132-L154 HydrophobicContact CD1-CD1 3.61Å; I132-L154 HydrophobicContact CG1-CD1 4.1Å; I132-L154 HydrophobicContact CG1-CD2 4.07Å; I132-L154 HydrophobicContact CG2-CD2 4.35Å; K150-L154 WeakPolarHBondContact O-CG 3.28Å; K150-L154 PolarHBondContact O-N 3.36Å; L154-I162 HydrophobicContact CD2-CG2 4.25Å; L154-I164 HydrophobicContact CD2-CG1 3.79Å; L154-I212 HydrophobicContact CD1-CD1 3.81Å; L154-I212 HydrophobicContact CD1-CG1 4.37Å; L154-I212 HydrophobicContact CD1-CG2 4.21Å
155F97.5Very high94.7Very high64 Ų6422 Ų2228%0.28111%0.111SC..EExtended strand (participates in β ladder)trans-82.5158.4-176.7-58.3-84.2000112V86 C105 R108 A152 I162 K163V86-F155 HydrophobicContact CG2-CD2 3.92Å; C105-F155 HydrophobicContact CB-CB 3.54Å; C105-F155 HydrophobicContact CB-CD1 4.49Å; C105-F155 HydrophobicContact CB-CG 4.3Å; C105-F155 VanDerWaalsContact SG-CB 3.55Å; R108-F155 CarbonylContact O-C 3.51Å; R108-F155 VanDerWaalsContact O-CA 3.3Å; R108-F155 WeakPolarHBondContact O-CA 3.43Å; A152-F155 WeakPolarHBondContact O-CZ 3.41Å; F155-I162 CarbonylContact O-C 3.49Å; F155-I162 WeakPolarHBondContact O-CA 3.44Å; F155-K163 HydrophobicContact CB-CB 4.23Å; F155-K163 PolarHBondContact N-O 3.1Å; F155-K163 PolarHBondContact O-N 3.14Å
156L95.8Very high94.5Very high0 Ų025 Ų250%013%0.127CC..EExtended strand (participates in β ladder)trans-119.4126.1179.1-65.5174.6000109.6C105 R107 R108 L110 F128 L160 K161 I162 L290C105-L156 CarbonylContact C-O 3.32Å; C105-L156 WeakPolarHBondContact CB-O 3.46Å; R107-L156 HydrophobicContact CB-CB 3.64Å; R107-L156 WeakPolarHBondContact CB-O 3.38Å; R107-L156 PolarHBondContact N-O 3.15Å; R107-L156 VanDerWaalsContact N-O 3.12Å; R108-L156 PolarHBondContact O-N 3.49Å; L110-L156 HydrophobicContact CD2-CD1 4.06Å; L110-L156 HydrophobicContact CD2-CD2 3.98Å; L110-L156 HydrophobicContact CD2-CG 4.21Å; F128-L156 HydrophobicContact CD1-CD2 4.22Å; F128-L156 HydrophobicContact CE1-CD2 3.82Å; L156-L160 HydrophobicContact CD1-CD2 4.29Å; L156-L160 WeakPolarHBondContact CD2-O 3.42Å; L156-K161 WeakPolarHBondContact CA-O 3.47Å; L156-I162 HydrophobicContact CD2-CD1 3.76Å; L156-L290 HydrophobicContact CD1-CD2 3.85Å
157D93Very high94.4Very high22 Ų2225 Ų2512%0.11813%0.127CC..  trans-76.6-177.5170.275.67.7000111.9R107 N159 L160 K161R107-D157 WeakPolarHBondContact CB-O 3.24Å; R107-D157 WeakPolarHBondContact CG-O 3.42Å; D157-N159 PolarHBondContact O-N 2.99Å; D157-N159 VanDerWaalsContact O-N 3.13Å; D157-N159 WeakPolarHBondContact OD1-CA 3.44Å; D157-N159 PolarHBondContact OD1-N 2.79Å; D157-L160 PolarHBondContact O-N 2.93Å; D157-L160 PolarHBondContact OD1-N 3.39Å; D157-L160 VanDerWaalsContact OD1-N 3.16Å; D157-K161 PolarHBondContact N-O 3.22Å; D157-K161 VanDerWaalsContact N-O 3.12Å; D157-K161 PolarHBondContact OD1-N 3.03Å
158D89.5Confident94.2Very high59 Ų5925 Ų2532%0.31614%0.135SC..THydrogen-bonded Turntrans-60.2-22.8-178.2-76-49.1000114.4N106 R107N106-D158 VanDerWaalsContact CB-OD1 3.23Å; N106-D158 WeakPolarHBondContact CB-OD1 3.42Å; N106-D158 PolarHBondContact ND2-OD1 3.18Å; N106-D158 PolarHBondContact ND2-OD2 3.32Å; R107-D158 IonicContact CZ-OD1 3.43Å; R107-D158 VanDerWaalsContact CZ-OD1 3.31Å; R107-D158 IonicContact NE-OD1 2.8Å; R107-D158 IonicContact NH1-OD1 2.67Å; R107-D158 IonicContact NH2-OD1 3.25Å; R107-D158 PolarHBondContact NH2-OD1 3.3Å
159N89.8Confident93.8Very high95 Ų9527.1 Ų27.151%0.50815%0.146SC..THydrogen-bonded Turntrans-10012.4179.3-61.3-46.2000112.8D157 K161D157-N159 PolarHBondContact O-N 2.99Å; D157-N159 VanDerWaalsContact O-N 3.13Å; D157-N159 WeakPolarHBondContact OD1-CA 3.44Å; D157-N159 PolarHBondContact OD1-N 2.79Å; N159-K161 HydrophobicContact CB-CG 4.49Å; N159-K161 PolarHBondContact O-N 3.48Å
160L93.3Very high93.5Very high1 Ų127.2 Ų27.21%0.00515%0.147CC..  trans60.724.5-175.6-52.7-172.1000114.5R107 Y127 L156 D157 L285 P286 C289 L290R107-L160 HydrophobicContact CB-CD2 3.96Å; R107-L160 HydrophobicContact CG-CD2 3.86Å; Y127-L160 WeakPolarHBondContact CE1-O 3.37Å; L156-L160 HydrophobicContact CD1-CD2 4.29Å; L156-L160 WeakPolarHBondContact CD2-O 3.42Å; D157-L160 PolarHBondContact O-N 2.93Å; D157-L160 PolarHBondContact OD1-N 3.39Å; D157-L160 VanDerWaalsContact OD1-N 3.16Å; L160-L285 HydrophobicContact CD1-CB 3.81Å; L160-P286 WeakPolarHBondContact CD1-O 3.38Å; L160-C289 HydrophobicContact CD1-CB 4.16Å; L160-L290 HydrophobicContact CD2-CD1 3.92Å; L160-L290 HydrophobicContact CD2-CD2 3.94Å; L160-L290 HydrophobicContact CD2-CG 3.95Å
161K96.3Very high93.2Very high81 Ų8125.7 Ų25.735%0.35214%0.141SC..  trans-78.9144.6170.8-64-172.5171.7-167.70111.2E83 L156 D157 N159E83-K161 IonicContact OE2-NZ 2.78Å; L156-K161 WeakPolarHBondContact CA-O 3.47Å; D157-K161 PolarHBondContact N-O 3.22Å; D157-K161 VanDerWaalsContact N-O 3.12Å; D157-K161 PolarHBondContact OD1-N 3.03Å; N159-K161 HydrophobicContact CB-CG 4.49Å; N159-K161 PolarHBondContact O-N 3.48Å
162I98.3Very high92.9Very high0 Ų029.9 Ų29.90%016%0.157CC..EExtended strand (participates in β ladder)trans-72.2137.5179.8-65.5-70.3000110.6N84 L110 F128 Q131 I132 L154 F155 L156 I164N84-I162 VanDerWaalsContact CA-O 3.24Å; N84-I162 WeakPolarHBondContact CA-O 3.29Å; N84-I162 PolarHBondContact ND2-O 2.99Å; N84-I162 VanDerWaalsContact ND2-O 3.13Å; L110-I162 HydrophobicContact CD1-CD1 3.73Å; L110-I162 HydrophobicContact CD2-CD1 3.99Å; L110-I162 HydrophobicContact CG-CD1 3.88Å; F128-I162 HydrophobicContact CB-CD1 4.17Å; F128-I162 HydrophobicContact CB-CG1 4.31Å; F128-I162 HydrophobicContact CD1-CD1 3.8Å; F128-I162 HydrophobicContact CD1-CG1 4.07Å; F128-I162 HydrophobicContact CG-CD1 4.31Å; Q131-I162 HydrophobicContact CB-CB 3.82Å; Q131-I162 HydrophobicContact CB-CG1 3.93Å; I132-I162 HydrophobicContact CG1-CD1 4.34Å; I132-I162 HydrophobicContact CG1-CG1 4.16Å; I132-I162 HydrophobicContact CG1-CG2 3.82Å; L154-I162 HydrophobicContact CD2-CG2 4.25Å; F155-I162 CarbonylContact O-C 3.49Å; F155-I162 WeakPolarHBondContact O-CA 3.44Å; L156-I162 HydrophobicContact CD2-CD1 3.76Å; I162-I164 HydrophobicContact CG2-CG1 4.3Å
163K98.5Very high92.5Very high22 Ų2228.8 Ų28.810%0.09615%0.147CC..EExtended strand (participates in β ladder)trans-130.2107170.5-57.4-69179.5157.80109.2E83 V86 E103 F155 G165E83-K163 VanDerWaalsContact O-CD 3.25Å; E83-K163 WeakPolarHBondContact O-CD 3.44Å; E83-K163 VanDerWaalsContact O-CE 3.24Å; E83-K163 WeakPolarHBondContact O-CE 3.34Å; E83-K163 PolarHBondContact O-NZ 3.15Å; V86-K163 HydrophobicContact CG2-CB 3.66Å; E103-K163 WeakPolarHBondContact OE1-CE 2.92Å; E103-K163 IonicContact OE1-NZ 3.57Å; E103-K163 PolarHBondContact OE1-NZ 3.21Å; E103-K163 IonicContact OE2-NZ 3.58Å; E103-K163 PolarHBondContact OE2-NZ 3.47Å; F155-K163 HydrophobicContact CB-CB 4.23Å; F155-K163 PolarHBondContact N-O 3.1Å; F155-K163 PolarHBondContact O-N 3.14Å; K163-G165 PolarHBondContact O-N 2.9Å
164I98.5Very high91.9Very high0 Ų032.7 Ų32.70%017%0.174CC..EExtended strand (participates in β ladder)trans-71.4125.2175.4-60.2170.9000108.8N84 V86 L139 H146 L149 L154 I162 F167N84-I164 WeakPolarHBondContact O-CB 3.47Å; N84-I164 VanDerWaalsContact O-CG1 3.32Å; N84-I164 WeakPolarHBondContact O-CG1 3.18Å; N84-I164 PolarHBondContact O-N 2.87Å; V86-I164 WeakPolarHBondContact CG2-O 3.38Å; V86-I164 PolarHBondContact N-O 3.34Å; L139-I164 HydrophobicContact CD1-CG2 4.44Å; H146-I164 WeakPolarHBondContact CD2-CG2 3.47Å; L149-I164 HydrophobicContact CD2-CG2 3.99Å; L154-I164 HydrophobicContact CD2-CG1 3.79Å; I162-I164 HydrophobicContact CG2-CG1 4.3Å; I164-F167 HydrophobicContact CG2-CZ 4.33Å
165G95.2Very high91Very high1 Ų138 Ų381%0.0120%0.199CC..  trans-136.8-177.9179.500000113.1H146 N153 K163H146-G165 PolarHBondContact NE2-O 3.13Å; N153-G165 WeakPolarHBondContact CB-O 3.31Å; N153-G165 PolarHBondContact O-N 2.89Å; K163-G165 PolarHBondContact O-N 2.9Å
166D90Very high89.7Confident62 Ų6243.2 Ų43.233%0.33222%0.224SC..  trans62.177.9-175.9-163.39000114.7H146 N153 G168H146-D166 PolarHBondContact CE1-O 2.87Å; N153-D166 HydrophobicContact CB-CB 4.46Å; D166-G168 VanDerWaalsContact C-N 3.26Å; D166-G168 PolarHBondContact O-N 2.86Å; D166-G168 PolarHBondContact OD1-N 3.04Å
167F91.3Very high88.6Confident1 Ų146.2 Ų46.20%0.00426%0.255CS..  trans-87.517.7178.5-66.8-88.2000113.3E73 I76 H77 L80 V85 L139 I164 L169 A170E73-F167 HydrophobicContact CG-CB 4.44Å; I76-F167 HydrophobicContact CG2-CD1 4.38Å; H77-F167 HydrophobicContact CB-CB 4.4Å; H77-F167 HydrophobicContact CB-CD2 4.1Å; H77-F167 HydrophobicContact CB-CG 4.41Å; H77-F167 AromaticContact CD2-CD2 3.66Å; H77-F167 AromaticContact CD2-CE2 3.68Å; H77-F167 AromaticContact CE1-CD2 3.85Å; H77-F167 AromaticContact CG-CD2 3.58Å; H77-F167 AromaticContact ND1-CD2 3.72Å; H77-F167 AromaticContact NE2-CD2 3.83Å; H77-F167 AromaticContact NE2-CE2 3.67Å; L80-F167 HydrophobicContact CD1-CD1 3.89Å; L80-F167 HydrophobicContact CD1-CE1 3.43Å; L80-F167 VanDerWaalsContact CD1-CE1 3.43Å; L80-F167 HydrophobicContact CD1-CE2 4.23Å; L80-F167 HydrophobicContact CD1-CG 4.47Å; L80-F167 HydrophobicContact CD1-CZ 3.63Å; V85-F167 HydrophobicContact CG1-CE2 3.9Å; V85-F167 HydrophobicContact CG1-CZ 3.67Å; L139-F167 HydrophobicContact CD1-CE1 4.04Å; L139-F167 HydrophobicContact CD2-CE1 3.73Å; L139-F167 HydrophobicContact CD2-CZ 4.13Å; I164-F167 HydrophobicContact CG2-CZ 4.33Å; F167-L169 PolarHBondContact O-N 3.38Å; F167-L169 VanDerWaalsContact O-N 3.15Å; F167-A170 HydrophobicContact CB-CB 3.8Å; F167-A170 HydrophobicContact CD1-CB 3.74Å; F167-A170 HydrophobicContact CG-CB 4.28Å; F167-A170 VanDerWaalsContact O-CB 3.28Å; F167-A170 WeakPolarHBondContact O-CB 3.39Å; F167-A170 PolarHBondContact O-N 2.68Å
168G86.1Confident87.7Confident27 Ų2746.5 Ų46.528%0.27826%0.256SS..THydrogen-bonded Turntrans-63.1-21.6-17600000114.7D166D166-G168 VanDerWaalsContact C-N 3.26Å; D166-G168 PolarHBondContact O-N 2.86Å; D166-G168 PolarHBondContact OD1-N 3.04Å
169L83.9Confident87.2Confident56 Ų5649.7 Ų49.729%0.29327%0.267SS..THydrogen-bonded Turntrans-108.42.8172-64.1-179000112.9R147 D148 F167 C184R147-L169 PolarHBondContact NE-O 2.84Å; R147-L169 PolarHBondContact NH2-O 3.38Å; D148-L169 HydrophobicContact CB-CB 4.3Å; D148-L169 HydrophobicContact CB-CD1 3.94Å; F167-L169 PolarHBondContact O-N 3.38Å; F167-L169 VanDerWaalsContact O-N 3.15Å; L169-C184 HydrophobicContact CD1-CB 4.2Å; L169-C184 HydrophobicContact CD2-CB 4.23Å
170A89.7Confident86.6Confident3 Ų347.2 Ų47.23%0.02525%0.251CS..  trans-67153.2-179.100000111.4I76 V144 M145 F167I76-A170 HydrophobicContact CD1-CB 4.22Å; I76-A170 HydrophobicContact CG2-CB 4.24Å; V144-A170 HydrophobicContact CG1-CB 4.3Å; M145-A170 VanDerWaalsContact O-CA 3.24Å; M145-A170 WeakPolarHBondContact O-CA 3.27Å; M145-A170 WeakPolarHBondContact O-CB 3.19Å; F167-A170 HydrophobicContact CB-CB 3.8Å; F167-A170 HydrophobicContact CD1-CB 3.74Å; F167-A170 HydrophobicContact CG-CB 4.28Å; F167-A170 VanDerWaalsContact O-CB 3.28Å; F167-A170 WeakPolarHBondContact O-CB 3.39Å; F167-A170 PolarHBondContact O-N 2.68Å
171S89.7Confident85.6Confident4 Ų455 Ų553%0.02829%0.285CS..EExtended strand (participates in β ladder)trans-148.2147.7176.762.80000111.4M145 R147M145-S171 WeakPolarHBondContact CE-OG 3.34Å; M145-S171 PolarHBondContact N-O 2.89Å; M145-S171 PolarHBondContact O-N 2.72Å; M145-S171 VanDerWaalsContact O-N 3.11Å; R147-S171 PolarHBondContact NE-OG 2.96Å
172R89.7Confident84.6Confident88 Ų8855.1 Ų55.133%0.33229%0.293SS..EExtended strand (participates in β ladder)trans-82.8142.1170-66.8-174.9-171.2-81.3-1.3111.2I76 S79 K143 V144I76-R172 HydrophobicContact CD1-CG 4.46Å; I76-R172 HydrophobicContact CG1-CG 4.31Å; S79-R172 PolarHBondContact OG-NH2 3.29Å; K143-R172 CarbonylContact O-C 3.48Å; K143-R172 VanDerWaalsContact O-CA 3.27Å; K143-R172 WeakPolarHBondContact O-CA 3.41Å; V144-R172 HydrophobicContact CG2-CG 4.2Å
173I84Confident83.3Confident11 Ų1160.3 Ų60.36%0.05632%0.32CS..  trans-86.7123.9166.4-65.5-166.3000108K143 M145 H175 E178 F202K143-I173 HydrophobicContact CB-CB 4.42Å; K143-I173 PolarHBondContact O-N 3.39Å; M145-I173 HydrophobicContact CE-CD1 3.95Å; M145-I173 HydrophobicContact CE-CG1 3.65Å; M145-I173 HydrophobicContact CG-CD1 3.98Å; M145-I173 HydrophobicContact CG-CG1 4.18Å; M145-I173 HydrophobicContact SD-CD1 3.76Å; M145-I173 HydrophobicContact SD-CG1 4.11Å; I173-H175 WeakPolarHBondContact CG2-O 3.36Å; I173-E178 HydrophobicContact CG2-CB 4.02Å; I173-F202 HydrophobicContact CB-CZ 4.46Å; I173-F202 HydrophobicContact CD1-CD1 4.17Å; I173-F202 HydrophobicContact CD1-CD2 3.95Å; I173-F202 HydrophobicContact CD1-CE1 3.73Å; I173-F202 HydrophobicContact CD1-CE2 3.51Å; I173-F202 HydrophobicContact CD1-CG 4.28Å; I173-F202 HydrophobicContact CD1-CZ 3.38Å; I173-F202 HydrophobicContact CG1-CE1 4.35Å; I173-F202 HydrophobicContact CG1-CZ 4.1Å
174S82.1Confident82.2Confident90 Ų9060.1 Ų60.163%0.62932%0.321SS*.SBendtrans-85-37-173.5-33.30000111.5E178S174-E178 WeakPolarHBondContact CA-OE2 3.31Å; S174-E178 VanDerWaalsContact CB-OE2 3.23Å; S174-E178 WeakPolarHBondContact CB-OE2 3.33Å; S174-E178 PolarHBondContact N-OE2 2.79Å; S174-E178 PolarHBondContact OG-OE2 3.18Å
175H78.5Confident80.8Confident112 Ų11261.5 Ų61.552%0.51934%0.335SS..SBendtrans-137.5150.2176.254.6-88.5000110.5I173 G177 E178I173-H175 WeakPolarHBondContact CG2-O 3.36Å; H175-G177 PolarHBondContact O-N 2.82Å; H175-E178 WeakPolarHBondContact NE2-CA 3.02Å; H175-E178 WeakPolarHBondContact NE2-CB 3.5Å; H175-E178 WeakPolarHBondContact O-CB 3.46Å; H175-E178 PolarHBondContact O-N 3.14Å
176E71.9Confident80.2Confident173 Ų17363.2 Ų63.281%0.80835%0.345SS*.THydrogen-bonded Turntrans-59.5131.5175.7-71.5178.2-177.900110
177G71Confident79.8Confident62 Ų6262.3 Ų62.364%0.63934%0.343SS*.THydrogen-bonded Turntrans83.80.6-173.700000115.6H175 K179H175-G177 PolarHBondContact O-N 2.82Å; G177-K179 PolarHBondContact O-N 2.83Å; G177-K179 VanDerWaalsContact O-N 3.16Å
178E75.8Confident79.5Confident29 Ų2963.8 Ų63.814%0.13635%0.351CS..  trans-58.6122.4174.8-170.3-174.2165.800110.4I173 S174 H175 K180I173-E178 HydrophobicContact CG2-CB 4.02Å; S174-E178 WeakPolarHBondContact CA-OE2 3.31Å; S174-E178 VanDerWaalsContact CB-OE2 3.23Å; S174-E178 WeakPolarHBondContact CB-OE2 3.33Å; S174-E178 PolarHBondContact N-OE2 2.79Å; S174-E178 PolarHBondContact OG-OE2 3.18Å; H175-E178 WeakPolarHBondContact NE2-CA 3.02Å; H175-E178 WeakPolarHBondContact NE2-CB 3.5Å; H175-E178 WeakPolarHBondContact O-CB 3.46Å; H175-E178 PolarHBondContact O-N 3.14Å; E178-K180 VanDerWaalsContact OE1-CE 3.26Å; E178-K180 WeakPolarHBondContact OE1-CE 3.32Å; E178-K180 IonicContact OE1-NZ 3.39Å; E178-K180 PolarHBondContact OE1-NZ 2.82Å; E178-K180 IonicContact OE2-NZ 3.5Å
179K76.9Confident79.7Confident126 Ų12663.6 Ų63.655%0.54834%0.342SS..  trans-105.3118175.6-67.2-171.3176.3-173.50111.2G177 H200G177-K179 PolarHBondContact O-N 2.83Å; G177-K179 VanDerWaalsContact O-N 3.16Å; K179-H200 CarbonylContact C-O 3.5Å; K179-H200 WeakPolarHBondContact CA-O 3.4Å
180K77.9Confident80Confident43 Ų4361.2 Ų61.219%0.18733%0.329CS..BIsolated β-bridgetrans-78.3150.1175.3-62.2-65.6-172.4-1720110.3M145 E178 G199 H200M145-K180 HydrophobicContact CE-CG 3.74Å; E178-K180 VanDerWaalsContact OE1-CE 3.26Å; E178-K180 WeakPolarHBondContact OE1-CE 3.32Å; E178-K180 IonicContact OE1-NZ 3.39Å; E178-K180 PolarHBondContact OE1-NZ 2.82Å; E178-K180 IonicContact OE2-NZ 3.5Å; K180-G199 CarbonylContact O-C 3.53Å; K180-G199 WeakPolarHBondContact O-CA 3.49Å; K180-H200 WeakPolarHBondContact CB-NE2 3.06Å; K180-H200 PolarHBondContact N-O 3.5Å; K180-H200 PolarHBondContact O-CE1 3.4Å; K180-H200 VanDerWaalsContact O-CE1 3.23Å; K180-H200 PolarHBondContact O-N 3.21Å; K180-H200 PolarHBondContact O-ND1 3.32Å
181K72.2Confident80.1Confident165 Ų16561.1 Ų61.172%0.71733%0.328SS*.  trans-115.93.8-179.1-65.7-177.9179178.50114.1
182T75Confident80.2Confident83 Ų8361.6 Ų61.651%0.50933%0.332SS..  trans-75.9126.1-174.7-45.60000111.1C184 H200T182-C184 PolarHBondContact O-N 3.15Å; T182-H200 PolarHBondContact O-CE1 2.89Å
183L71.9Confident80.2Confident109 Ų10958.2 Ų58.257%0.57132%0.32SS*.  trans-73104.7169.9-176.669.5000109.2I190 I194 L195L183-I190 HydrophobicContact CD1-CD1 4.02Å; L183-I194 HydrophobicContact CD1-CG2 3.91Å; L183-L195 HydrophobicContact CD1-CD2 4.19Å
184C74.5Confident80.4Confident18 Ų1858.1 Ų58.112%0.12232%0.319CS..  trans-147.5159175.559.80000110.9L169 T182L169-C184 HydrophobicContact CD1-CB 4.2Å; L169-C184 HydrophobicContact CD2-CB 4.23Å; T182-C184 PolarHBondContact O-N 3.15Å
185G70.7Confident80.5Confident28 Ų2855 Ų5529%0.28930%0.296SS..SBendtrans127.5169.1178.600000112.7
186T81Confident80.8Confident37 Ų3753.8 Ų53.823%0.22730%0.299CS..  trans-84.6131.2174.7-59.10000109.7D148 K150 N188 Y189 I190D148-T186 PolarHBondContact OD1-N 3.21Å; D148-T186 PolarHBondContact OD1-OG1 3Å; K150-T186 HydrophobicContact CD-CG2 4.34Å; K150-T186 WeakPolarHBondContact CD-OG1 3.47Å; K150-T186 PolarHBondContact NZ-OG1 2.83Å; T186-N188 VanDerWaalsContact C-N 3.28Å; T186-N188 PolarHBondContact O-N 2.79Å; T186-Y189 HydrophobicContact CG2-CD2 3.9Å; T186-Y189 HydrophobicContact CG2-CE2 4.38Å; T186-Y189 CarbonylContact O-C 3.59Å; T186-Y189 PolarHBondContact O-N 3.07Å; T186-I190 PolarHBondContact O-N 2.87Å; T186-I190 VanDerWaalsContact O-N 3.1Å
187P81.8Confident80.9Confident43 Ų4353.2 Ų53.228%0.27929%0.294SS..G310 helixtrans-50.9-37.3-172.4-3236000116.4Y189 I190 L228 Y232 I235P187-Y189 PolarHBondContact O-N 3.02Å; P187-I190 WeakPolarHBondContact O-CG2 3.33Å; P187-L228 HydrophobicContact CB-CD1 3.51Å; P187-L228 HydrophobicContact CG-CD1 3.68Å; P187-Y232 HydrophobicContact CB-CE1 4.06Å; P187-I235 WeakPolarHBondContact O-CD1 3.3Å
188N85.8Confident80.9Confident33 Ų3351.4 Ų51.418%0.17628%0.276CS..G310 helixtrans-75.3-6.6179.8-72.8-21.4000114.7T186 P221 E224T186-N188 VanDerWaalsContact C-N 3.28Å; T186-N188 PolarHBondContact O-N 2.79Å; N188-P221 HydrophobicContact CB-CB 4.01Å; N188-P221 HydrophobicContact CB-CG 4.24Å; N188-E224 PolarHBondContact ND2-OE1 3.46Å
189Y90.7Very high81Confident22 Ų2251.2 Ų51.29%0.08628%0.282CS..G310 helixtrans-128.11-176.1-57.9-89000112.3K150 T186 P187 S208 C211 I212K150-Y189 HydrophobicContact CB-CD1 4.21Å; K150-Y189 HydrophobicContact CB-CD2 3.73Å; K150-Y189 HydrophobicContact CB-CE1 4.19Å; K150-Y189 HydrophobicContact CB-CE2 3.68Å; K150-Y189 HydrophobicContact CB-CG 4.01Å; T186-Y189 HydrophobicContact CG2-CD2 3.9Å; T186-Y189 HydrophobicContact CG2-CE2 4.38Å; T186-Y189 CarbonylContact O-C 3.59Å; T186-Y189 PolarHBondContact O-N 3.07Å; P187-Y189 PolarHBondContact O-N 3.02Å; Y189-S208 PolarHBondContact O-OG 2.77Å; Y189-C211 HydrophobicContact CD1-CB 3.59Å; Y189-C211 HydrophobicContact CE1-CB 4.09Å; Y189-C211 HydrophobicContact CG-CB 4.47Å; Y189-I212 HydrophobicContact CD1-CG1 4.31Å; Y189-I212 HydrophobicContact CE1-CG1 4.02Å
190I89.9Confident81.2Confident6 Ų645.4 Ų45.43%0.03126%0.256CS..  trans-76.2135.2-176.3-160.6169.4000110.6L183 T186 P187 I194 L195 W207 Y232 I235L183-I190 HydrophobicContact CD1-CD1 4.02Å; T186-I190 PolarHBondContact O-N 2.87Å; T186-I190 VanDerWaalsContact O-N 3.1Å; P187-I190 WeakPolarHBondContact O-CG2 3.33Å; I190-I194 HydrophobicContact CD1-CB 4.27Å; I190-I194 HydrophobicContact CD1-CG2 3.96Å; I190-I194 HydrophobicContact CG1-CB 4Å; I190-I194 HydrophobicContact CG1-CD1 3.96Å; I190-I194 HydrophobicContact CG1-CG2 4.15Å; I190-L195 HydrophobicContact CD1-CD2 3.96Å; I190-L195 HydrophobicContact CG2-CD1 4.32Å; I190-L195 HydrophobicContact CG2-CD2 4.16Å; I190-L195 HydrophobicContact CG2-CG 4.28Å; I190-W207 PolarHBondContact O-NE1 3.16Å; I190-Y232 HydrophobicContact CG2-CE1 4.18Å; I190-I235 HydrophobicContact CG2-CD1 3.79Å
191A90.9Very high81.6Confident1 Ų144 Ų441%0.00825%0.252CS..  trans-78149.1179.200000111.8E193 I194 V204 W207A191-E193 VanDerWaalsContact C-N 3.3Å; A191-E193 VanDerWaalsContact CB-CD 3.48Å; A191-E193 VanDerWaalsContact CB-OE1 3.29Å; A191-E193 WeakPolarHBondContact CB-OE1 3.41Å; A191-E193 WeakPolarHBondContact CB-OE2 3.18Å; A191-E193 PolarHBondContact O-N 2.94Å; A191-I194 HydrophobicContact CB-CD1 4.24Å; A191-I194 HydrophobicContact CB-CG1 4.27Å; A191-I194 PolarHBondContact O-N 3.12Å; A191-I194 VanDerWaalsContact O-N 3.16Å; A191-V204 HydrophobicContact CB-CB 4.38Å; A191-V204 HydrophobicContact CB-CG1 4.22Å; A191-W207 HydrophobicContact CB-CB 3.88Å; A191-W207 HydrophobicContact CB-CD2 4.16Å; A191-W207 HydrophobicContact CB-CG 3.66Å
192P91.8Very high82.6Confident15 Ų1538.5 Ų38.510%0.09723%0.228CC..Hα-helixtrans-61-35.1-17522.3-33.1000113.5I194 L195 S196 W207 I235P192-I194 VanDerWaalsContact C-N 3.27Å; P192-I194 PolarHBondContact O-N 3.21Å; P192-L195 WeakPolarHBondContact O-CB 3.48Å; P192-L195 PolarHBondContact O-N 2.99Å; P192-L195 VanDerWaalsContact O-N 3.09Å; P192-S196 PolarHBondContact O-N 2.99Å; P192-S196 VanDerWaalsContact O-N 3.09Å; P192-W207 HydrophobicContact CG-CE3 4.38Å; P192-W207 HydrophobicContact CG-CH2 4.03Å; P192-W207 HydrophobicContact CG-CZ2 4.5Å; P192-W207 HydrophobicContact CG-CZ3 3.96Å; P192-I235 HydrophobicContact CB-CG2 3.93Å
193E90.9Very high83.4Confident17 Ų1737.6 Ų37.68%0.07922%0.218CC..Hα-helixtrans-66.6-26.417966.5-83.1-163.900113.4A191 L195 S196 K197 G198 H200 V204 P262 R265A191-E193 VanDerWaalsContact C-N 3.3Å; A191-E193 VanDerWaalsContact CB-CD 3.48Å; A191-E193 VanDerWaalsContact CB-OE1 3.29Å; A191-E193 WeakPolarHBondContact CB-OE1 3.41Å; A191-E193 WeakPolarHBondContact CB-OE2 3.18Å; A191-E193 PolarHBondContact O-N 2.94Å; E193-L195 VanDerWaalsContact C-N 3.33Å; E193-S196 WeakPolarHBondContact CA-OG 3.41Å; E193-S196 PolarHBondContact O-OG 3.32Å; E193-K197 PolarHBondContact O-N 3.42Å; E193-G198 WeakPolarHBondContact O-CA 3.5Å; E193-G198 PolarHBondContact O-N 3.13Å; E193-H200 HydrophobicContact CG-CB 4.22Å; E193-V204 WeakPolarHBondContact OE1-CG1 3.41Å; E193-P262 HydrophobicContact CB-CG 4.05Å; E193-P262 HydrophobicContact CG-CG 3.91Å; E193-R265 IonicContact OE1-CZ 3.21Å; E193-R265 IonicContact OE1-NH1 3.78Å; E193-R265 PolarHBondContact OE1-NH1 3.29Å; E193-R265 IonicContact OE1-NH2 2.87Å; E193-R265 IonicContact OE2-CZ 3.4Å; E193-R265 IonicContact OE2-NH1 3.52Å; E193-R265 PolarHBondContact OE2-NH1 3.02Å; E193-R265 IonicContact OE2-NH2 2.73Å; E193-R265 PolarHBondContact OE2-NH2 2.88Å
194I86.4Confident84.4Confident8 Ų832.5 Ų32.54%0.04119%0.192CC..Hα-helixtrans-70.1-37.1173.7-52.7178.4000109.3L183 I190 A191 P192 K197 H200 V204L183-I194 HydrophobicContact CD1-CG2 3.91Å; I190-I194 HydrophobicContact CD1-CB 4.27Å; I190-I194 HydrophobicContact CD1-CG2 3.96Å; I190-I194 HydrophobicContact CG1-CB 4Å; I190-I194 HydrophobicContact CG1-CD1 3.96Å; I190-I194 HydrophobicContact CG1-CG2 4.15Å; A191-I194 HydrophobicContact CB-CD1 4.24Å; A191-I194 HydrophobicContact CB-CG1 4.27Å; A191-I194 PolarHBondContact O-N 3.12Å; A191-I194 VanDerWaalsContact O-N 3.16Å; P192-I194 VanDerWaalsContact C-N 3.27Å; P192-I194 PolarHBondContact O-N 3.21Å; I194-K197 PolarHBondContact O-N 3.33Å; I194-H200 HydrophobicContact CG1-CB 4.49Å; I194-V204 HydrophobicContact CD1-CB 4.2Å; I194-V204 HydrophobicContact CD1-CG1 3.83Å; I194-V204 HydrophobicContact CG1-CG1 3.99Å
195L86Confident85.4Confident26 Ų2631.7 Ų31.714%0.13619%0.186CC..Hα-helixtrans-71.9-34.1178.7-62178.4000112.9L183 I190 P192 E193 K197 Y232 I235 K236L183-L195 HydrophobicContact CD1-CD2 4.19Å; I190-L195 HydrophobicContact CD1-CD2 3.96Å; I190-L195 HydrophobicContact CG2-CD1 4.32Å; I190-L195 HydrophobicContact CG2-CD2 4.16Å; I190-L195 HydrophobicContact CG2-CG 4.28Å; P192-L195 WeakPolarHBondContact O-CB 3.48Å; P192-L195 PolarHBondContact O-N 2.99Å; P192-L195 VanDerWaalsContact O-N 3.09Å; E193-L195 VanDerWaalsContact C-N 3.33Å; L195-K197 PolarHBondContact O-N 2.91Å; L195-Y232 HydrophobicContact CD1-CD1 3.86Å; L195-Y232 HydrophobicContact CD1-CG 4.17Å; L195-Y232 HydrophobicContact CD2-CD1 3.89Å; L195-Y232 HydrophobicContact CD2-CE1 3.91Å; L195-Y232 HydrophobicContact CD2-CG 4.25Å; L195-I235 HydrophobicContact CD1-CB 4.1Å; L195-I235 HydrophobicContact CD1-CD1 4.43Å; L195-I235 HydrophobicContact CD1-CG2 3.75Å; L195-K236 HydrophobicContact CD1-CG 4.34Å
196S83.5Confident86.7Confident85 Ų8530.5 Ų30.559%0.59417%0.173SC*.THydrogen-bonded Turntrans-771.7174.263.30000113.1P192 E193 G198P192-S196 PolarHBondContact O-N 2.99Å; P192-S196 VanDerWaalsContact O-N 3.09Å; E193-S196 WeakPolarHBondContact CA-OG 3.41Å; E193-S196 PolarHBondContact O-OG 3.32Å; S196-G198 PolarHBondContact O-N 3Å
197K73.7Confident87.4Confident161 Ų16128.7 Ų28.770%0.716%0.162SC*.THydrogen-bonded Turntrans55.325.6-171.5-55.8-179.4-178.5176.50112.5E193 I194 L195E193-K197 PolarHBondContact O-N 3.42Å; I194-K197 PolarHBondContact O-N 3.33Å; L195-K197 PolarHBondContact O-N 2.91Å
198G71.2Confident88.1Confident25 Ų2527 Ų2726%0.25815%0.151SC..  trans-60.4150.8166.200000109.7E193 S196E193-G198 WeakPolarHBondContact O-CA 3.5Å; E193-G198 PolarHBondContact O-N 3.13Å; S196-G198 PolarHBondContact O-N 3Å
199G77.5Confident88.7Confident25 Ų2525.4 Ų25.426%0.25814%0.143SC..  trans-64.8134.5166.300000110.2K180K180-G199 CarbonylContact O-C 3.53Å; K180-G199 WeakPolarHBondContact O-CA 3.49Å
200H81.2Confident89.1Confident3 Ų324.4 Ų24.41%0.01414%0.139CC..BIsolated β-bridgetrans-124.5151-179.759.5-92.3000113.3K179 K180 T182 E193 I194 V204K179-H200 CarbonylContact C-O 3.5Å; K179-H200 WeakPolarHBondContact CA-O 3.4Å; K180-H200 WeakPolarHBondContact CB-NE2 3.06Å; K180-H200 PolarHBondContact N-O 3.5Å; K180-H200 PolarHBondContact O-CE1 3.4Å; K180-H200 VanDerWaalsContact O-CE1 3.23Å; K180-H200 PolarHBondContact O-N 3.21Å; K180-H200 PolarHBondContact O-ND1 3.32Å; T182-H200 PolarHBondContact O-CE1 2.89Å; E193-H200 HydrophobicContact CG-CB 4.22Å; I194-H200 HydrophobicContact CG1-CB 4.49Å; H200-V204 HydrophobicContact CB-CG1 3.62Å
201S87.7Confident89.5Confident13 Ų1324.1 Ų24.19%0.09114%0.137CC..  trans-129.6-149.5175.8-1750000109.4M145 E203 V204M145-S201 VanDerWaalsContact SD-O 3.42Å; S201-E203 WeakPolarHBondContact CA-OE2 3.12Å; S201-E203 VanDerWaalsContact CB-OE2 3.23Å; S201-E203 WeakPolarHBondContact CB-OE2 3.37Å; S201-E203 PolarHBondContact N-OE2 3.29Å; S201-E203 PolarHBondContact O-N 2.81Å; S201-E203 VanDerWaalsContact O-N 3.11Å; S201-V204 WeakPolarHBondContact O-CG2 3.39Å
202F91.8Very high89.8Confident51 Ų5124 Ų2422%0.22414%0.137CC..THydrogen-bonded Turntrans-59.3-19.2-174.8-63.8-63.7000115H140 M145 I173 V204 D205H140-F202 HydrophobicContact CB-CD1 4.02Å; H140-F202 HydrophobicContact CB-CE1 4.03Å; H140-F202 HydrophobicContact CB-CZ 4.49Å; H140-F202 AromaticContact CD2-CD1 3.31Å; H140-F202 WeakPolarHBondContact CD2-CD1 3.24Å; H140-F202 AromaticContact CD2-CE1 3.81Å; H140-F202 AromaticContact CE1-CD1 3.94Å; H140-F202 AromaticContact CG-CD1 3.49Å; H140-F202 VanDerWaalsContact CG-CD1 3.49Å; H140-F202 AromaticContact CG-CE1 3.96Å; H140-F202 AromaticContact ND1-CD1 3.9Å; H140-F202 AromaticContact NE2-CD1 3.61Å; M145-F202 HydrophobicContact CG-CD1 3.44Å; M145-F202 VanDerWaalsContact CG-CD1 3.44Å; M145-F202 HydrophobicContact CG-CE1 3.69Å; M145-F202 HydrophobicContact CG-CG 4.3Å; M145-F202 HydrophobicContact SD-CD1 4.48Å; I173-F202 HydrophobicContact CB-CZ 4.46Å; I173-F202 HydrophobicContact CD1-CD1 4.17Å; I173-F202 HydrophobicContact CD1-CD2 3.95Å; I173-F202 HydrophobicContact CD1-CE1 3.73Å; I173-F202 HydrophobicContact CD1-CE2 3.51Å; I173-F202 HydrophobicContact CD1-CG 4.28Å; I173-F202 HydrophobicContact CD1-CZ 3.38Å; I173-F202 HydrophobicContact CG1-CE1 4.35Å; I173-F202 HydrophobicContact CG1-CZ 4.1Å; F202-V204 PolarHBondContact O-N 2.69Å; F202-V204 VanDerWaalsContact O-N 3.17Å; F202-D205 WeakPolarHBondContact O-CB 3.33Å; F202-D205 PolarHBondContact O-N 2.91Å
203E93.4Very high90.2Very high63 Ų6323.3 Ų23.329%0.29413%0.132SC..Hα-helixtrans-67.2-17.5-174.6-50.774.5-158.500112.9S201 D205 S206 W207 P262 R265S201-E203 WeakPolarHBondContact CA-OE2 3.12Å; S201-E203 VanDerWaalsContact CB-OE2 3.23Å; S201-E203 WeakPolarHBondContact CB-OE2 3.37Å; S201-E203 PolarHBondContact N-OE2 3.29Å; S201-E203 PolarHBondContact O-N 2.81Å; S201-E203 VanDerWaalsContact O-N 3.11Å; E203-D205 VanDerWaalsContact C-N 3.29Å; E203-S206 PolarHBondContact O-N 3.29Å; E203-W207 PolarHBondContact O-N 3.14Å; E203-W207 VanDerWaalsContact O-N 3.12Å; E203-P262 HydrophobicContact CB-CB 3.97Å; E203-P262 HydrophobicContact CG-CB 4.27Å; E203-R265 PolarHBondContact O-NH1 2.95Å; E203-R265 VanDerWaalsContact O-NH1 3.13Å
204V92.7Very high90.5Very high3 Ų323.2 Ų23.22%0.01813%0.131CC..Hα-helixtrans-67.9-30.7173.5-57.70000112.1R147 A191 E193 I194 H200 S201 F202 S208R147-V204 HydrophobicContact CG-CG2 4.41Å; A191-V204 HydrophobicContact CB-CB 4.38Å; A191-V204 HydrophobicContact CB-CG1 4.22Å; E193-V204 WeakPolarHBondContact OE1-CG1 3.41Å; I194-V204 HydrophobicContact CD1-CB 4.2Å; I194-V204 HydrophobicContact CD1-CG1 3.83Å; I194-V204 HydrophobicContact CG1-CG1 3.99Å; H200-V204 HydrophobicContact CB-CG1 3.62Å; S201-V204 WeakPolarHBondContact O-CG2 3.39Å; F202-V204 PolarHBondContact O-N 2.69Å; F202-V204 VanDerWaalsContact O-N 3.17Å; V204-S208 PolarHBondContact O-N 2.92Å; V204-S208 PolarHBondContact O-OG 2.85Å
205D94.7Very high91.1Very high0 Ų022.9 Ų22.90%013%0.13CC..Hα-helixtrans-73.3-35.7176.2-70.8-21.7000109.7H140 H146 R147 L149 F202 E203 S208 L209 M268H140-D205 IonicContact CD2-OD2 3.41Å; H140-D205 IonicContact CE1-OD2 2.67Å; H140-D205 IonicContact NE2-OD2 2.69Å; H140-D205 PolarHBondContact NE2-OD2 3.48Å; H146-D205 PolarHBondContact N-OD2 2.82Å; H146-D205 VanDerWaalsContact N-OD2 3.16Å; R147-D205 PolarHBondContact N-OD1 3.4Å; L149-D205 HydrophobicContact CD1-CB 3.73Å; F202-D205 WeakPolarHBondContact O-CB 3.33Å; F202-D205 PolarHBondContact O-N 2.91Å; E203-D205 VanDerWaalsContact C-N 3.29Å; D205-S208 PolarHBondContact O-N 3.41Å; D205-L209 WeakPolarHBondContact O-CB 3.07Å; D205-L209 PolarHBondContact O-N 2.95Å; D205-M268 HydrophobicContact CB-CE 4.26Å
206S97.1Very high91.6Very high3 Ų321.7 Ų21.72%0.02112%0.123CC..Hα-helixtrans-62.4-41.8171.7-62.70000112.2E203 L209 G210 P266E203-S206 PolarHBondContact O-N 3.29Å; S206-L209 WeakPolarHBondContact O-CB 3.47Å; S206-L209 PolarHBondContact O-N 2.98Å; S206-G210 PolarHBondContact O-N 2.88Å; S206-G210 VanDerWaalsContact O-N 3.07Å; S206-P266 PolarHBondContact OG-O 2.72Å
207W97.3Very high92.3Very high0 Ų017.8 Ų17.80%010%0.096CC..Hα-helixtrans-60.4-48.7173.2175.1-86.5000111.7I190 A191 P192 E203 L209 G210 C211 F223 I235 N238 L258I190-W207 PolarHBondContact O-NE1 3.16Å; A191-W207 HydrophobicContact CB-CB 3.88Å; A191-W207 HydrophobicContact CB-CD2 4.16Å; A191-W207 HydrophobicContact CB-CG 3.66Å; P192-W207 HydrophobicContact CG-CE3 4.38Å; P192-W207 HydrophobicContact CG-CH2 4.03Å; P192-W207 HydrophobicContact CG-CZ2 4.5Å; P192-W207 HydrophobicContact CG-CZ3 3.96Å; E203-W207 PolarHBondContact O-N 3.14Å; E203-W207 VanDerWaalsContact O-N 3.12Å; W207-L209 PolarHBondContact O-N 2.98Å; W207-G210 WeakPolarHBondContact O-CA 3.43Å; W207-G210 PolarHBondContact O-N 3.04Å; W207-C211 PolarHBondContact O-N 3Å; W207-F223 AromaticContact CE2-CE2 3.99Å; W207-F223 HydrophobicContact CH2-CE1 4.48Å; W207-F223 AromaticContact CH2-CE2 3.82Å; W207-F223 HydrophobicContact CH2-CE2 3.82Å; W207-F223 AromaticContact CH2-CZ 3.54Å; W207-F223 HydrophobicContact CH2-CZ 3.54Å; W207-F223 HydrophobicContact CZ2-CD2 4.11Å; W207-F223 AromaticContact CZ2-CE2 3.22Å; W207-F223 HydrophobicContact CZ2-CE2 3.22Å; W207-F223 AromaticContact CZ2-CZ 3.47Å; W207-F223 HydrophobicContact CZ2-CZ 3.47Å; W207-F223 VanDerWaalsContact CZ2-CZ 3.47Å; W207-I235 HydrophobicContact CZ2-CG2 4.02Å; W207-N238 WeakPolarHBondContact CH2-OD1 3.43Å; W207-L258 HydrophobicContact CD2-CD2 3.81Å; W207-L258 HydrophobicContact CE3-CB 4.48Å; W207-L258 HydrophobicContact CE3-CD2 3.94Å; W207-L258 HydrophobicContact CG-CD2 4.28Å; W207-L258 HydrophobicContact CH2-CD2 4.45Å; W207-L258 HydrophobicContact CZ2-CD2 4.33Å; W207-L258 HydrophobicContact CZ3-CB 4.25Å; W207-L258 HydrophobicContact CZ3-CD2 4.26Å; W207-L258 WeakPolarHBondContact O-CD2 3.11Å
208S96.9Very high93.3Very high7 Ų711 Ų115%0.0497%0.068CC..Hα-helixtrans-58.1-38.6178.6-57.60000111.6Y189 V204 D205 C211 I212Y189-S208 PolarHBondContact O-OG 2.77Å; V204-S208 PolarHBondContact O-N 2.92Å; V204-S208 PolarHBondContact O-OG 2.85Å; D205-S208 PolarHBondContact O-N 3.41Å; S208-C211 WeakPolarHBondContact O-CB 3.17Å; S208-C211 PolarHBondContact O-N 3.1Å; S208-I212 WeakPolarHBondContact O-CD1 3.43Å; S208-I212 VanDerWaalsContact O-CG1 3.3Å; S208-I212 WeakPolarHBondContact O-CG1 3.45Å; S208-I212 PolarHBondContact O-N 2.91Å
209L97.9Very high94.4Very high0 Ų010.9 Ų10.90%07%0.066CC..Hα-helixtrans-62-41.4174.3-170.265.7000112.2M129 I132 V133 D205 S206 W207 I212 L213 L257 M268 V271M129-L209 HydrophobicContact CE-CD1 3.21Å; M129-L209 HydrophobicContact CE-CD2 4.12Å; M129-L209 HydrophobicContact CE-CG 3.38Å; M129-L209 HydrophobicContact SD-CD1 3.85Å; I132-L209 HydrophobicContact CB-CD1 4.24Å; I132-L209 HydrophobicContact CG2-CD1 3.58Å; V133-L209 HydrophobicContact CG2-CD2 3.61Å; D205-L209 WeakPolarHBondContact O-CB 3.07Å; D205-L209 PolarHBondContact O-N 2.95Å; S206-L209 WeakPolarHBondContact O-CB 3.47Å; S206-L209 PolarHBondContact O-N 2.98Å; W207-L209 PolarHBondContact O-N 2.98Å; L209-I212 PolarHBondContact O-N 3.5Å; L209-L213 PolarHBondContact O-N 3.48Å; L209-L257 HydrophobicContact CD2-CD1 4.32Å; L209-L257 HydrophobicContact CD2-CD2 4.2Å; L209-L257 HydrophobicContact CG-CD1 4.21Å; L209-M268 HydrophobicContact CD2-CE 4.31Å; L209-M268 HydrophobicContact CD2-SD 3.96Å; L209-V271 HydrophobicContact CD2-CG1 4.07Å; L209-V271 HydrophobicContact CD2-CG2 4.5Å
210G98.3Very high95.2Very high0 Ų012 Ų120%07%0.07CC..Hα-helixtrans-60.5-44.1172.700000112.6S206 W207 I212 L213 Y214S206-G210 PolarHBondContact O-N 2.88Å; S206-G210 VanDerWaalsContact O-N 3.07Å; W207-G210 WeakPolarHBondContact O-CA 3.43Å; W207-G210 PolarHBondContact O-N 3.04Å; G210-I212 VanDerWaalsContact C-N 3.34Å; G210-I212 PolarHBondContact O-N 2.91Å; G210-L213 PolarHBondContact O-N 2.8Å; G210-Y214 WeakPolarHBondContact O-CB 3.35Å; G210-Y214 PolarHBondContact O-N 3.41Å
211C98.3Very high95.9Very high0 Ų012.5 Ų12.50%07%0.074CC..Hα-helixtrans-62.7-40.6174.6-67.10000111.8Y189 W207 S208 T215 P222Y189-C211 HydrophobicContact CD1-CB 3.59Å; Y189-C211 HydrophobicContact CE1-CB 4.09Å; Y189-C211 HydrophobicContact CG-CB 4.47Å; W207-C211 PolarHBondContact O-N 3Å; S208-C211 WeakPolarHBondContact O-CB 3.17Å; S208-C211 PolarHBondContact O-N 3.1Å; C211-T215 WeakPolarHBondContact O-CB 3.32Å; C211-T215 PolarHBondContact O-N 2.89Å; C211-T215 PolarHBondContact O-OG1 3.18Å; C211-P222 HydrophobicContact CB-CG 4.24Å
212I98.5Very high96.3Very high0 Ų012.2 Ų12.20%07%0.071CC..Hα-helixtrans-62.3-51.9176.6-73157000110.8M129 I132 L149 L151 L154 Y189 S208 L209 G210 Y214 T215 L216M129-I212 HydrophobicContact SD-CG2 3.94Å; I132-I212 HydrophobicContact CD1-CG2 4.26Å; L149-I212 HydrophobicContact CB-CD1 4.1Å; L151-I212 HydrophobicContact CD2-CG1 4.46Å; L151-I212 HydrophobicContact CD2-CG2 3.88Å; L154-I212 HydrophobicContact CD1-CD1 3.81Å; L154-I212 HydrophobicContact CD1-CG1 4.37Å; L154-I212 HydrophobicContact CD1-CG2 4.21Å; Y189-I212 HydrophobicContact CD1-CG1 4.31Å; Y189-I212 HydrophobicContact CE1-CG1 4.02Å; S208-I212 WeakPolarHBondContact O-CD1 3.43Å; S208-I212 VanDerWaalsContact O-CG1 3.3Å; S208-I212 WeakPolarHBondContact O-CG1 3.45Å; S208-I212 PolarHBondContact O-N 2.91Å; L209-I212 PolarHBondContact O-N 3.5Å; G210-I212 VanDerWaalsContact C-N 3.34Å; G210-I212 PolarHBondContact O-N 2.91Å; I212-Y214 PolarHBondContact O-N 3.49Å; I212-T215 PolarHBondContact O-N 2.59Å; I212-L216 HydrophobicContact CG2-CD1 3.9Å; I212-L216 HydrophobicContact CG2-CG 4.39Å; I212-L216 WeakPolarHBondContact O-CB 3.46Å; I212-L216 WeakPolarHBondContact O-CG 3.37Å; I212-L216 PolarHBondContact O-N 3.19Å
213L98.6Very high96.5Very high0 Ų09.8 Ų9.80%06%0.061CC..Hα-helixtrans-58.8-47.8179.3178.656.1000111.6A125 M129 L209 G210 T215 L216 L217 L253 I254 F276A125-L213 HydrophobicContact CB-CD1 4.16Å; M129-L213 HydrophobicContact CE-CB 3.71Å; M129-L213 HydrophobicContact CE-CD2 4.4Å; M129-L213 HydrophobicContact CE-CG 4.42Å; M129-L213 HydrophobicContact CG-CD1 4.12Å; M129-L213 HydrophobicContact SD-CB 4.15Å; L209-L213 PolarHBondContact O-N 3.48Å; G210-L213 PolarHBondContact O-N 2.8Å; L213-T215 VanDerWaalsContact C-N 3.34Å; L213-T215 PolarHBondContact O-N 2.86Å; L213-L216 PolarHBondContact O-N 3.49Å; L213-L217 HydrophobicContact CD1-CD1 3.67Å; L213-L217 HydrophobicContact CD1-CG 4.06Å; L213-L217 HydrophobicContact CG-CD1 4.22Å; L213-L217 PolarHBondContact O-N 2.93Å; L213-L217 VanDerWaalsContact O-N 3.1Å; L213-L253 HydrophobicContact CD2-CB 4.18Å; L213-L253 HydrophobicContact CD2-CD2 3.59Å; L213-L253 HydrophobicContact CD2-CG 3.76Å; L213-I254 HydrophobicContact CB-CG1 4.39Å; L213-I254 HydrophobicContact CD2-CG1 3.75Å; L213-I254 HydrophobicContact CG-CD1 4.29Å; L213-I254 HydrophobicContact CG-CG1 3.81Å; L213-F276 HydrophobicContact CD1-CE1 4.3Å; L213-F276 HydrophobicContact CD1-CZ 4.15Å
214Y98.5Very high96.5Very high14 Ų1411.4 Ų11.46%0.0557%0.068CC..Hα-helixtrans-56.1-49.7175.3-178.2-78.7000110.8G210 I212 L216 L217 V218 S220 P222 Y240 R241 I242 I254G210-Y214 WeakPolarHBondContact O-CB 3.35Å; G210-Y214 PolarHBondContact O-N 3.41Å; I212-Y214 PolarHBondContact O-N 3.49Å; Y214-L216 VanDerWaalsContact C-N 3.32Å; Y214-L216 PolarHBondContact O-N 3.01Å; Y214-L217 PolarHBondContact O-N 2.78Å; Y214-V218 HydrophobicContact CD1-CB 3.95Å; Y214-V218 HydrophobicContact CD1-CG2 4.04Å; Y214-V218 HydrophobicContact CD2-CG2 3.91Å; Y214-V218 HydrophobicContact CE1-CB 3.64Å; Y214-V218 HydrophobicContact CE1-CG1 3.71Å; Y214-V218 HydrophobicContact CE1-CG2 3.87Å; Y214-V218 HydrophobicContact CE2-CB 4.42Å; Y214-V218 HydrophobicContact CE2-CG2 3.74Å; Y214-V218 HydrophobicContact CG-CB 4.47Å; Y214-V218 HydrophobicContact CG-CG2 4.06Å; Y214-V218 VanDerWaalsContact O-CB 3.22Å; Y214-V218 WeakPolarHBondContact O-CB 3.36Å; Y214-V218 WeakPolarHBondContact O-CG2 3.45Å; Y214-V218 PolarHBondContact O-N 2.97Å; Y214-S220 WeakPolarHBondContact CD1-O 3.41Å; Y214-S220 WeakPolarHBondContact CE1-O 3.4Å; Y214-P222 HydrophobicContact CD1-CB 3.68Å; Y214-P222 HydrophobicContact CD1-CG 4.04Å; Y214-P222 HydrophobicContact CD2-CB 4.02Å; Y214-P222 HydrophobicContact CE1-CB 3.83Å; Y214-P222 HydrophobicContact CE2-CB 4.16Å; Y214-P222 HydrophobicContact CG-CB 3.78Å; Y214-P222 HydrophobicContact CG-CG 4.15Å; Y214-Y240 HydrophobicContact CD2-CD2 4.21Å; Y214-Y240 AromaticContact CE2-CD2 3.92Å; Y214-Y240 HydrophobicContact CE2-CD2 3.92Å; Y214-R241 VanDerWaalsContact CE2-O 3.3Å; Y214-R241 WeakPolarHBondContact CE2-O 3.48Å; Y214-R241 PolarHBondContact OH-O 2.62Å; Y214-I242 HydrophobicContact CD2-CG1 4.35Å; Y214-I242 HydrophobicContact CE2-CG1 4.08Å; Y214-I254 HydrophobicContact CD2-CD1 4.38Å; Y214-I254 HydrophobicContact CD2-CG2 4.02Å
215T97.7Very high96.4Very high2 Ų212.7 Ų12.71%0.0128%0.076CC..Hα-helixtrans-63.1-39.4-177.3-53.50000112H114 L151 C211 I212 L213 G219 S220 P221H114-T215 PolarHBondContact CE1-O 2.78Å; L151-T215 HydrophobicContact CD1-CG2 3.63Å; C211-T215 WeakPolarHBondContact O-CB 3.32Å; C211-T215 PolarHBondContact O-N 2.89Å; C211-T215 PolarHBondContact O-OG1 3.18Å; I212-T215 PolarHBondContact O-N 2.59Å; L213-T215 VanDerWaalsContact C-N 3.34Å; L213-T215 PolarHBondContact O-N 2.86Å; T215-G219 WeakPolarHBondContact O-CA 3.47Å; T215-G219 PolarHBondContact O-N 2.79Å; T215-S220 WeakPolarHBondContact CA-O 3.32Å; T215-P221 HydrophobicContact CG2-CG 4.45Å; T215-P221 WeakPolarHBondContact OG1-CA 3.36Å
216L97.9Very high96.2Very high0 Ų019.1 Ų19.10%012%0.116CC..Hα-helixtrans-63.8-41.7178-75.4175.5000112.1L110 Y119 V120 M129 L151 I212 L213 Y214L110-L216 HydrophobicContact CD1-CD1 4.47Å; Y119-L216 CarbonylContact C-O 3.58Å; Y119-L216 VanDerWaalsContact CA-O 3.23Å; Y119-L216 WeakPolarHBondContact CA-O 3.03Å; Y119-L216 WeakPolarHBondContact CB-O 3.49Å; V120-L216 HydrophobicContact CG2-CB 3.89Å; V120-L216 HydrophobicContact CG2-CD2 4.18Å; V120-L216 PolarHBondContact N-O 2.84Å; M129-L216 HydrophobicContact SD-CD1 4.47Å; L151-L216 HydrophobicContact CD2-CD2 3.91Å; L151-L216 HydrophobicContact CD2-CG 4.07Å; I212-L216 HydrophobicContact CG2-CD1 3.9Å; I212-L216 HydrophobicContact CG2-CG 4.39Å; I212-L216 WeakPolarHBondContact O-CB 3.46Å; I212-L216 WeakPolarHBondContact O-CG 3.37Å; I212-L216 PolarHBondContact O-N 3.19Å; L213-L216 PolarHBondContact O-N 3.49Å; Y214-L216 VanDerWaalsContact C-N 3.32Å; Y214-L216 PolarHBondContact O-N 3.01Å
217L97.2Very high95.9Very high3 Ų324.6 Ų24.62%0.01614%0.139CC..Hα-helixtrans-86.9-40.8-176.5-64.7-179.6000113.2E122 A125 L213 Y214 R245 V246 A250 I254E122-L217 HydrophobicContact CG-CD1 4.4Å; E122-L217 HydrophobicContact CG-CD2 3.85Å; A125-L217 HydrophobicContact CB-CD2 3.65Å; A125-L217 HydrophobicContact CB-CG 4.24Å; L213-L217 HydrophobicContact CD1-CD1 3.67Å; L213-L217 HydrophobicContact CD1-CG 4.06Å; L213-L217 HydrophobicContact CG-CD1 4.22Å; L213-L217 PolarHBondContact O-N 2.93Å; L213-L217 VanDerWaalsContact O-N 3.1Å; Y214-L217 PolarHBondContact O-N 2.78Å; L217-R245 VanDerWaalsContact O-CZ 3.25Å; L217-R245 PolarHBondContact O-NH1 2.9Å; L217-R245 PolarHBondContact O-NH2 3.03Å; L217-V246 HydrophobicContact CB-CG2 4.38Å; L217-V246 HydrophobicContact CD1-CG1 4.16Å; L217-A250 HydrophobicContact CD1-CB 3.77Å; L217-I254 HydrophobicContact CD1-CD1 4.48Å
218V95.8Very high95.5Very high20 Ų2028 Ų2812%0.12116%0.157CC..Hα-helixtrans-85.8-33.4-173.8179.40000112.1Y214 P243 R245 V246Y214-V218 HydrophobicContact CD1-CB 3.95Å; Y214-V218 HydrophobicContact CD1-CG2 4.04Å; Y214-V218 HydrophobicContact CD2-CG2 3.91Å; Y214-V218 HydrophobicContact CE1-CB 3.64Å; Y214-V218 HydrophobicContact CE1-CG1 3.71Å; Y214-V218 HydrophobicContact CE1-CG2 3.87Å; Y214-V218 HydrophobicContact CE2-CB 4.42Å; Y214-V218 HydrophobicContact CE2-CG2 3.74Å; Y214-V218 HydrophobicContact CG-CB 4.47Å; Y214-V218 HydrophobicContact CG-CG2 4.06Å; Y214-V218 VanDerWaalsContact O-CB 3.22Å; Y214-V218 WeakPolarHBondContact O-CB 3.36Å; Y214-V218 WeakPolarHBondContact O-CG2 3.45Å; Y214-V218 PolarHBondContact O-N 2.97Å; V218-P243 HydrophobicContact CG1-CG 3.91Å; V218-P243 HydrophobicContact CG2-CG 4.35Å; V218-R245 VanDerWaalsContact C-NH2 3.33Å; V218-R245 PolarHBondContact O-NH2 2.93Å; V218-V246 HydrophobicContact CG2-CG2 4.2Å
219G93.9Very high95.3Very high21 Ų2134.2 Ų34.222%0.21619%0.185CC..SBendtrans962.7178.100000115.5H114 K118 T215H114-G219 VanDerWaalsContact CE1-C 3.47Å; H114-G219 PolarHBondContact CE1-O 3.19Å; H114-G219 VanDerWaalsContact CE1-O 3.24Å; K118-G219 WeakPolarHBondContact O-CA 3.44Å; T215-G219 WeakPolarHBondContact O-CA 3.47Å; T215-G219 PolarHBondContact O-N 2.79Å
220S93.8Very high95.1Very high48 Ų4838 Ų3834%0.33620%0.203SC..SBendtrans-146.5157.7169.657.40000109.5Y214 T215Y214-S220 WeakPolarHBondContact CD1-O 3.41Å; Y214-S220 WeakPolarHBondContact CE1-O 3.4Å; T215-S220 WeakPolarHBondContact CA-O 3.32Å
221P95.7Very high94.8Very high14 Ų1438.3 Ų38.39%0.09121%0.205CC..  trans-63.9151.3173-16.230000112.2N188 T215 F223 E224N188-P221 HydrophobicContact CB-CB 4.01Å; N188-P221 HydrophobicContact CB-CG 4.24Å; T215-P221 HydrophobicContact CG2-CG 4.45Å; T215-P221 WeakPolarHBondContact OG1-CA 3.36Å; P221-F223 VanDerWaalsContact C-N 3.32Å; P221-F223 PolarHBondContact O-N 2.77Å; P221-E224 HydrophobicContact CB-CB 3.99Å; P221-E224 VanDerWaalsContact CD-OE2 3.28Å; P221-E224 WeakPolarHBondContact CD-OE2 3.22Å; P221-E224 HydrophobicContact CG-CB 4.05Å
222P96.5Very high94.5Very high7 Ų741.4 Ų41.45%0.04522%0.217CC..THydrogen-bonded Turntrans-65.1-31.5-172.420.7-29.5000114.5C211 Y214 Y240 L258C211-P222 HydrophobicContact CB-CG 4.24Å; Y214-P222 HydrophobicContact CD1-CB 3.68Å; Y214-P222 HydrophobicContact CD1-CG 4.04Å; Y214-P222 HydrophobicContact CD2-CB 4.02Å; Y214-P222 HydrophobicContact CE1-CB 3.83Å; Y214-P222 HydrophobicContact CE2-CB 4.16Å; Y214-P222 HydrophobicContact CG-CB 3.78Å; Y214-P222 HydrophobicContact CG-CG 4.15Å; P222-Y240 HydrophobicContact CB-CD2 4.45Å; P222-Y240 HydrophobicContact CB-CG 4.21Å; P222-Y240 WeakPolarHBondContact O-CB 3.41Å; P222-L258 HydrophobicContact CB-CD1 4.2Å; P222-L258 HydrophobicContact CG-CD1 4.09Å
223F96.2Very high94.3Very high0 Ų043.3 Ų43.30%023%0.233CC..THydrogen-bonded Turntrans-113.84.4-173.2-49.8-71.9000113.5W207 P221 T225 T231 R234 I235 E239 Y240 L258W207-F223 AromaticContact CE2-CE2 3.99Å; W207-F223 HydrophobicContact CH2-CE1 4.48Å; W207-F223 AromaticContact CH2-CE2 3.82Å; W207-F223 HydrophobicContact CH2-CE2 3.82Å; W207-F223 AromaticContact CH2-CZ 3.54Å; W207-F223 HydrophobicContact CH2-CZ 3.54Å; W207-F223 HydrophobicContact CZ2-CD2 4.11Å; W207-F223 AromaticContact CZ2-CE2 3.22Å; W207-F223 HydrophobicContact CZ2-CE2 3.22Å; W207-F223 AromaticContact CZ2-CZ 3.47Å; W207-F223 HydrophobicContact CZ2-CZ 3.47Å; W207-F223 VanDerWaalsContact CZ2-CZ 3.47Å; P221-F223 VanDerWaalsContact C-N 3.32Å; P221-F223 PolarHBondContact O-N 2.77Å; F223-T225 PolarHBondContact O-N 2.85Å; F223-T231 HydrophobicContact CB-CG2 4.49Å; F223-R234 HydrophobicContact CB-CB 4.29Å; F223-R234 HydrophobicContact CD1-CB 4.15Å; F223-I235 HydrophobicContact CB-CD1 4.37Å; F223-I235 HydrophobicContact CB-CG1 3.69Å; F223-I235 HydrophobicContact CD1-CG1 4.18Å; F223-I235 HydrophobicContact CD2-CG1 3.73Å; F223-I235 HydrophobicContact CE2-CG1 4.45Å; F223-I235 HydrophobicContact CG-CG1 3.59Å; F223-E239 WeakPolarHBondContact CD1-O 3.37Å; F223-Y240 AromaticContact CE1-CD1 3.6Å; F223-Y240 HydrophobicContact CE1-CD1 3.6Å; F223-Y240 HydrophobicContact CE1-CE1 4.47Å; F223-Y240 HydrophobicContact CE1-CG 4.19Å; F223-Y240 AromaticContact CZ-CD1 3.82Å; F223-Y240 HydrophobicContact CZ-CD1 3.82Å; F223-Y240 HydrophobicContact CZ-CE1 4.36Å; F223-Y240 HydrophobicContact CZ-CG 4.45Å; F223-L258 HydrophobicContact CE2-CD1 4.44Å; F223-L258 HydrophobicContact CE2-CD2 4.4Å; F223-L258 HydrophobicContact CZ-CD1 4.36Å
224E92Very high94.1Very high97 Ų9747.7 Ų47.745%0.45325%0.249SC..  trans-61.9131-174.7-178.3172-11800111.3N188 P221N188-E224 PolarHBondContact ND2-OE1 3.46Å; P221-E224 HydrophobicContact CB-CB 3.99Å; P221-E224 VanDerWaalsContact CD-OE2 3.28Å; P221-E224 WeakPolarHBondContact CD-OE2 3.22Å; P221-E224 HydrophobicContact CG-CB 4.05Å
225T91.4Very high93.9Very high30 Ų3047 Ų4718%0.18425%0.247CC..  trans-135.3179.4170.865.80000110F223 K227 E230 T231F223-T225 PolarHBondContact O-N 2.85Å; T225-K227 VanDerWaalsContact C-N 3.35Å; T225-K227 PolarHBondContact OG1-O 3.33Å; T225-E230 HydrophobicContact CG2-CB 4.16Å; T225-E230 WeakPolarHBondContact OG1-CB 3.28Å; T225-T231 PolarHBondContact N-OG1 3.05Å; T225-T231 PolarHBondContact OG1-N 3.42Å; T225-T231 VanDerWaalsContact OG1-N 3.1Å; T225-T231 PolarHBondContact OG1-OG1 3.41Å
226T89.7Confident93.7Very high136 Ų13653.4 Ų53.483%0.83427%0.274SS*.SBendtrans-77.2-21.6177.662.70000113.4
227K91.6Very high93.5Very high118 Ų11860 Ų6051%0.51331%0.305SS..SBendtrans-121136.6-178.5-60.2-174.1-165.7157.10111.5T225 E229 E230 T231T225-K227 VanDerWaalsContact C-N 3.35Å; T225-K227 PolarHBondContact OG1-O 3.33Å; K227-E229 VanDerWaalsContact C-N 3.29Å; K227-E229 PolarHBondContact O-N 2.66Å; K227-E230 HydrophobicContact CB-CB 4.35Å; K227-E230 HydrophobicContact CB-CG 4.13Å; K227-E230 WeakPolarHBondContact CD-OE1 3.22Å; K227-E230 IonicContact NZ-OE1 3.25Å; K227-E230 PolarHBondContact O-N 3.38Å; K227-T231 PolarHBondContact O-N 3.01Å; K227-T231 PolarHBondContact O-OG1 2.8Å
228L89.6Confident93.4Very high72 Ų7261.8 Ų61.838%0.37732%0.315SS..Hα-helixtrans-60.8-38.5-176.4-176.460.8000112.5P187 E230 T231 Y232P187-L228 HydrophobicContact CB-CD1 3.51Å; P187-L228 HydrophobicContact CG-CD1 3.68Å; L228-E230 PolarHBondContact O-N 3.15Å; L228-T231 WeakPolarHBondContact O-CB 3.45Å; L228-T231 PolarHBondContact O-N 2.72Å; L228-Y232 HydrophobicContact CD1-CD1 4.46Å; L228-Y232 HydrophobicContact CD1-CE1 3.83Å; L228-Y232 HydrophobicContact CD1-CE2 3.97Å; L228-Y232 HydrophobicContact CD2-CE2 4.01Å; L228-Y232 HydrophobicContact CG-CD2 4.2Å; L228-Y232 HydrophobicContact CG-CE1 4.43Å; L228-Y232 HydrophobicContact CG-CE2 3.66Å; L228-Y232 PolarHBondContact O-N 3.28Å
229E91.6Very high93.4Very high136 Ų13664.9 Ų64.964%0.63633%0.328SS*.Hα-helixtrans-64.3-41179.9-61.970.7-153.800111.5K227 Y232 A233K227-E229 VanDerWaalsContact C-N 3.29Å; K227-E229 PolarHBondContact O-N 2.66Å; E229-Y232 PolarHBondContact O-N 3.02Å; E229-A233 WeakPolarHBondContact O-CB 3.42Å; E229-A233 PolarHBondContact O-N 2.85Å
230E93.4Very high93.5Very high81 Ų8165.7 Ų65.738%0.37932%0.324SS..Hα-helixtrans-67.9-38.5175.8-67.7172-16800111.2T225 K227 L228 Y232 A233 R234T225-E230 HydrophobicContact CG2-CB 4.16Å; T225-E230 WeakPolarHBondContact OG1-CB 3.28Å; K227-E230 HydrophobicContact CB-CB 4.35Å; K227-E230 HydrophobicContact CB-CG 4.13Å; K227-E230 WeakPolarHBondContact CD-OE1 3.22Å; K227-E230 IonicContact NZ-OE1 3.25Å; K227-E230 PolarHBondContact O-N 3.38Å; L228-E230 PolarHBondContact O-N 3.15Å; E230-Y232 VanDerWaalsContact C-N 3.35Å; E230-A233 PolarHBondContact O-N 2.74Å; E230-R234 PolarHBondContact O-N 3.28Å
231T92.9Very high93.6Very high5 Ų573.1 Ų73.13%0.03135%0.345CS..Hα-helixtrans-60.5-46.3174.3-63.90000110.2F223 T225 K227 L228 A233 R234 I235F223-T231 HydrophobicContact CB-CG2 4.49Å; T225-T231 PolarHBondContact N-OG1 3.05Å; T225-T231 PolarHBondContact OG1-N 3.42Å; T225-T231 VanDerWaalsContact OG1-N 3.1Å; T225-T231 PolarHBondContact OG1-OG1 3.41Å; K227-T231 PolarHBondContact O-N 3.01Å; K227-T231 PolarHBondContact O-OG1 2.8Å; L228-T231 WeakPolarHBondContact O-CB 3.45Å; L228-T231 PolarHBondContact O-N 2.72Å; T231-A233 PolarHBondContact O-N 2.93Å; T231-R234 PolarHBondContact O-N 2.81Å; T231-I235 HydrophobicContact CG2-CD1 4.01Å; T231-I235 WeakPolarHBondContact O-CD1 3.37Å; T231-I235 WeakPolarHBondContact O-CG1 3.25Å; T231-I235 PolarHBondContact O-N 3.06Å
232Y92.7Very high93.6Very high65 Ų6573.8 Ų73.826%0.25535%0.348SS..Hα-helixtrans-65.2-35.9175.6-67.3-23.1000113.3P187 I190 L195 L228 E229 E230 I235 K236P187-Y232 HydrophobicContact CB-CE1 4.06Å; I190-Y232 HydrophobicContact CG2-CE1 4.18Å; L195-Y232 HydrophobicContact CD1-CD1 3.86Å; L195-Y232 HydrophobicContact CD1-CG 4.17Å; L195-Y232 HydrophobicContact CD2-CD1 3.89Å; L195-Y232 HydrophobicContact CD2-CE1 3.91Å; L195-Y232 HydrophobicContact CD2-CG 4.25Å; L228-Y232 HydrophobicContact CD1-CD1 4.46Å; L228-Y232 HydrophobicContact CD1-CE1 3.83Å; L228-Y232 HydrophobicContact CD1-CE2 3.97Å; L228-Y232 HydrophobicContact CD2-CE2 4.01Å; L228-Y232 HydrophobicContact CG-CD2 4.2Å; L228-Y232 HydrophobicContact CG-CE1 4.43Å; L228-Y232 HydrophobicContact CG-CE2 3.66Å; L228-Y232 PolarHBondContact O-N 3.28Å; E229-Y232 PolarHBondContact O-N 3.02Å; E230-Y232 VanDerWaalsContact C-N 3.35Å; Y232-I235 HydrophobicContact CD1-CD1 4.2Å; Y232-I235 PolarHBondContact O-N 2.82Å; Y232-K236 WeakPolarHBondContact O-CG 3.25Å; Y232-K236 PolarHBondContact O-N 2.83Å
233A93.7Very high93.5Very high40 Ų4075.7 Ų75.733%0.33136%0.36SS..Hα-helixtrans-61.8-46.7174.400000111.3E229 E230 T231 I235 K236 Q237E229-A233 WeakPolarHBondContact O-CB 3.42Å; E229-A233 PolarHBondContact O-N 2.85Å; E230-A233 PolarHBondContact O-N 2.74Å; T231-A233 PolarHBondContact O-N 2.93Å; A233-I235 PolarHBondContact O-N 3.26Å; A233-K236 PolarHBondContact O-N 2.95Å; A233-Q237 WeakPolarHBondContact O-CB 3.29Å; A233-Q237 WeakPolarHBondContact O-CG 3.39Å; A233-Q237 PolarHBondContact O-N 2.73Å
234R95.2Very high93.4Very high92 Ų9284.2 Ų84.235%0.34740%0.404SS..Hα-helixtrans-61.4-40.8176-75.1-168.8173.3172.61.1113F223 E230 T231 Q237 N238 E239F223-R234 HydrophobicContact CB-CB 4.29Å; F223-R234 HydrophobicContact CD1-CB 4.15Å; E230-R234 PolarHBondContact O-N 3.28Å; T231-R234 PolarHBondContact O-N 2.81Å; R234-Q237 CarbonylContact O-C 3.57Å; R234-Q237 PolarHBondContact O-N 2.8Å; R234-N238 CarbonylContact O-C 3.6Å; R234-N238 WeakPolarHBondContact O-CA 3.37Å; R234-N238 PolarHBondContact O-N 2.91Å; R234-E239 HydrophobicContact CB-CB 4.46Å; R234-E239 HydrophobicContact CG-CB 4.38Å; R234-E239 PolarHBondContact O-N 2.79Å
235I94.1Very high93.3Very high1 Ų184 Ų841%0.00540%0.399CS..Hα-helixtrans-61.1-48.2175.5-69.5159.9000110.5P187 I190 P192 L195 W207 F223 T231 Y232 A233 Q237 N238P187-I235 WeakPolarHBondContact O-CD1 3.3Å; I190-I235 HydrophobicContact CG2-CD1 3.79Å; P192-I235 HydrophobicContact CB-CG2 3.93Å; L195-I235 HydrophobicContact CD1-CB 4.1Å; L195-I235 HydrophobicContact CD1-CD1 4.43Å; L195-I235 HydrophobicContact CD1-CG2 3.75Å; W207-I235 HydrophobicContact CZ2-CG2 4.02Å; F223-I235 HydrophobicContact CB-CD1 4.37Å; F223-I235 HydrophobicContact CB-CG1 3.69Å; F223-I235 HydrophobicContact CD1-CG1 4.18Å; F223-I235 HydrophobicContact CD2-CG1 3.73Å; F223-I235 HydrophobicContact CE2-CG1 4.45Å; F223-I235 HydrophobicContact CG-CG1 3.59Å; T231-I235 HydrophobicContact CG2-CD1 4.01Å; T231-I235 WeakPolarHBondContact O-CD1 3.37Å; T231-I235 WeakPolarHBondContact O-CG1 3.25Å; T231-I235 PolarHBondContact O-N 3.06Å; Y232-I235 HydrophobicContact CD1-CD1 4.2Å; Y232-I235 PolarHBondContact O-N 2.82Å; A233-I235 PolarHBondContact O-N 3.26Å; I235-Q237 VanDerWaalsContact C-N 3.3Å; I235-Q237 PolarHBondContact O-N 3.38Å; I235-N238 PolarHBondContact O-N 3.05Å; I235-N238 VanDerWaalsContact O-N 3.09Å
236K92.6Very high93.5Very high136 Ų13683.2 Ų83.259%0.59139%0.394SS*.Hα-helixtrans-63.3-35.6179.4-73.1177.2-179.7-178.60112.8L195 Y232 A233 N238L195-K236 HydrophobicContact CD1-CG 4.34Å; Y232-K236 WeakPolarHBondContact O-CG 3.25Å; Y232-K236 PolarHBondContact O-N 2.83Å; A233-K236 PolarHBondContact O-N 2.95Å; K236-N238 VanDerWaalsContact C-N 3.3Å
237Q94.4Very high93.8Very high138 Ų13878.4 Ų78.465%0.64537%0.366SS*.Hα-helixtrans-84.7-4.2177-67174-0.900113A233 R234 I235 E239A233-Q237 WeakPolarHBondContact O-CB 3.29Å; A233-Q237 WeakPolarHBondContact O-CG 3.39Å; A233-Q237 PolarHBondContact O-N 2.73Å; R234-Q237 CarbonylContact O-C 3.57Å; R234-Q237 PolarHBondContact O-N 2.8Å; I235-Q237 VanDerWaalsContact C-N 3.3Å; I235-Q237 PolarHBondContact O-N 3.38Å; Q237-E239 HydrophobicContact CB-CB 4.37Å; Q237-E239 PolarHBondContact O-N 2.86Å
238N95.1Very high94.1Very high41 Ų4177.4 Ų77.422%0.21937%0.37CS..THydrogen-bonded Turntrans49.341.4-171.3-157.325000113.5W207 R234 I235 K236 Y240 L258 A260W207-N238 WeakPolarHBondContact CH2-OD1 3.43Å; R234-N238 CarbonylContact O-C 3.6Å; R234-N238 WeakPolarHBondContact O-CA 3.37Å; R234-N238 PolarHBondContact O-N 2.91Å; I235-N238 PolarHBondContact O-N 3.05Å; I235-N238 VanDerWaalsContact O-N 3.09Å; K236-N238 VanDerWaalsContact C-N 3.3Å; N238-Y240 WeakPolarHBondContact O-CD1 3.26Å; N238-Y240 WeakPolarHBondContact OD1-CE1 3.08Å; N238-L258 PolarHBondContact ND2-O 2.62Å; N238-L258 PolarHBondContact OD1-O 3.27Å; N238-A260 HydrophobicContact CB-CB 4.25Å
239E94.8Very high94.5Very high85 Ų8576.1 Ų76.140%0.39736%0.363SS..  trans-93108.3-174.1-167.7-162.4169.200111.5F223 R234 Q237F223-E239 WeakPolarHBondContact CD1-O 3.37Å; R234-E239 HydrophobicContact CB-CB 4.46Å; R234-E239 HydrophobicContact CG-CB 4.38Å; R234-E239 PolarHBondContact O-N 2.79Å; Q237-E239 HydrophobicContact CB-CB 4.37Å; Q237-E239 PolarHBondContact O-N 2.86Å
240Y96.5Very high94.8Very high37 Ų3769.6 Ų69.615%0.14533%0.333CS..  trans-152.8162.6173.264.3-80.3000110.7Y214 P222 F223 N238 I242 I254 R255 L258Y214-Y240 HydrophobicContact CD2-CD2 4.21Å; Y214-Y240 AromaticContact CE2-CD2 3.92Å; Y214-Y240 HydrophobicContact CE2-CD2 3.92Å; P222-Y240 HydrophobicContact CB-CD2 4.45Å; P222-Y240 HydrophobicContact CB-CG 4.21Å; P222-Y240 WeakPolarHBondContact O-CB 3.41Å; F223-Y240 AromaticContact CE1-CD1 3.6Å; F223-Y240 HydrophobicContact CE1-CD1 3.6Å; F223-Y240 HydrophobicContact CE1-CE1 4.47Å; F223-Y240 HydrophobicContact CE1-CG 4.19Å; F223-Y240 AromaticContact CZ-CD1 3.82Å; F223-Y240 HydrophobicContact CZ-CD1 3.82Å; F223-Y240 HydrophobicContact CZ-CE1 4.36Å; F223-Y240 HydrophobicContact CZ-CG 4.45Å; N238-Y240 WeakPolarHBondContact O-CD1 3.26Å; N238-Y240 WeakPolarHBondContact OD1-CE1 3.08Å; Y240-I242 HydrophobicContact CD2-CG1 4.21Å; Y240-I242 HydrophobicContact CE2-CD1 4.05Å; Y240-I242 HydrophobicContact CE2-CG1 4Å; Y240-I254 HydrophobicContact CE2-CG2 3.92Å; Y240-R255 WeakPolarHBondContact OH-CA 3.31Å; Y240-L258 HydrophobicContact CD2-CD1 4.45Å; Y240-L258 HydrophobicContact CE1-CB 4.13Å; Y240-L258 HydrophobicContact CE1-CD1 4.28Å; Y240-L258 HydrophobicContact CE2-CD1 4.1Å
241R96Very high95Very high204 Ų20466.8 Ų66.877%0.7732%0.322SS*.  trans-126133-179.1-63.9-175.5-176.1-172.70.7111.3Y214Y214-R241 VanDerWaalsContact CE2-O 3.3Å; Y214-R241 WeakPolarHBondContact CE2-O 3.48Å; Y214-R241 PolarHBondContact OH-O 2.62Å
242I96.5Very high95.3Very high28 Ų2871.4 Ų71.414%0.14435%0.345CS..  trans-100120.5175.1-57.6174.5000107.9Y214 Y240 V246 S251 I254 R255Y214-I242 HydrophobicContact CD2-CG1 4.35Å; Y214-I242 HydrophobicContact CE2-CG1 4.08Å; Y240-I242 HydrophobicContact CD2-CG1 4.21Å; Y240-I242 HydrophobicContact CE2-CD1 4.05Å; Y240-I242 HydrophobicContact CE2-CG1 4Å; I242-V246 HydrophobicContact CG2-CB 3.7Å; I242-V246 HydrophobicContact CG2-CG1 3.91Å; I242-V246 HydrophobicContact CG2-CG2 4.03Å; I242-S251 WeakPolarHBondContact CD1-OG 3.32Å; I242-I254 HydrophobicContact CD1-CB 4.06Å; I242-I254 HydrophobicContact CD1-CD1 4.47Å; I242-I254 HydrophobicContact CD1-CG2 3.76Å; I242-I254 HydrophobicContact CG1-CG2 4.36Å; I242-R255 HydrophobicContact CD1-CG 4.12Å
243P94.2Very high95.6Very high47 Ų4768.4 Ų68.431%0.30533%0.333SS..  trans-63.5150.3176.5-22.934.5000112.9V218 R245 V246V218-P243 HydrophobicContact CG1-CG 3.91Å; V218-P243 HydrophobicContact CG2-CG 4.35Å; P243-R245 HydrophobicContact CB-CG 4.1Å; P243-R245 PolarHBondContact O-N 3.23Å; P243-R245 VanDerWaalsContact O-N 3.11Å; P243-V246 WeakPolarHBondContact O-CB 3.49Å; P243-V246 PolarHBondContact O-N 3.15Å
244I93Very high95.8Very high179 Ų17966.5 Ų66.592%0.91832%0.317SS*.THydrogen-bonded Turntrans-60.3-23.3-178.7-166.4163.4000114.6V246I244-V246 PolarHBondContact O-N 3.01Å
245R91.4Very high95.9Very high94 Ų9468.8 Ų68.836%0.35533%0.326SS..THydrogen-bonded Turntrans-69.2-14.6176.467.2179.5-178.382.2-0.8114L217 V218 P243L217-R245 VanDerWaalsContact O-CZ 3.25Å; L217-R245 PolarHBondContact O-NH1 2.9Å; L217-R245 PolarHBondContact O-NH2 3.03Å; V218-R245 VanDerWaalsContact C-NH2 3.33Å; V218-R245 PolarHBondContact O-NH2 2.93Å; P243-R245 HydrophobicContact CB-CG 4.1Å; P243-R245 PolarHBondContact O-N 3.23Å; P243-R245 VanDerWaalsContact O-N 3.11Å
246V95.1Very high96.1Very high12 Ų1270.8 Ų70.87%0.07334%0.34CS..SBendtrans-84.7129.7175.9178.60000108.1L217 V218 I242 P243 I244 A250 I254L217-V246 HydrophobicContact CB-CG2 4.38Å; L217-V246 HydrophobicContact CD1-CG1 4.16Å; V218-V246 HydrophobicContact CG2-CG2 4.2Å; I242-V246 HydrophobicContact CG2-CB 3.7Å; I242-V246 HydrophobicContact CG2-CG1 3.91Å; I242-V246 HydrophobicContact CG2-CG2 4.03Å; P243-V246 WeakPolarHBondContact O-CB 3.49Å; P243-V246 PolarHBondContact O-N 3.15Å; I244-V246 PolarHBondContact O-N 3.01Å; V246-A250 HydrophobicContact CG1-CB 3.58Å; V246-I254 HydrophobicContact CG1-CD1 4.45Å
247S96Very high96.4Very high35 Ų3564.3 Ų64.325%0.24531%0.311CS..  trans-60.3157.7-176.8740000112.6E122 N249 A250 S251E122-S247 WeakPolarHBondContact OE1-CB 3.31Å; E122-S247 PolarHBondContact OE1-N 2.89Å; E122-S247 PolarHBondContact OE1-OG 3.22Å; E122-S247 WeakPolarHBondContact OE2-CB 3.22Å; E122-S247 PolarHBondContact OE2-OG 2.93Å; S247-N249 VanDerWaalsContact C-N 3.29Å; S247-N249 PolarHBondContact O-N 2.73Å; S247-A250 PolarHBondContact O-N 2.79Å; S247-A250 WeakPolarHBondContact OG-CB 3.01Å; S247-A250 PolarHBondContact OG-N 2.78Å; S247-A250 VanDerWaalsContact OG-N 3.16Å; S247-S251 VanDerWaalsContact O-CB 3.26Å; S247-S251 WeakPolarHBondContact O-CB 3.33Å; S247-S251 PolarHBondContact O-N 2.84Å
248T97.4Very high96.6Very high97 Ų9757.7 Ų57.760%0.59528%0.281SS*.Hα-helixtrans-56-44.9175.4-550000111.4A250 S251 M252T248-A250 PolarHBondContact O-N 2.95Å; T248-S251 WeakPolarHBondContact O-CB 3.48Å; T248-S251 PolarHBondContact O-N 2.88Å; T248-M252 HydrophobicContact CG2-CE 3.69Å; T248-M252 HydrophobicContact CG2-CG 4.42Å; T248-M252 HydrophobicContact CG2-SD 4.08Å; T248-M252 WeakPolarHBondContact O-CB 3.44Å; T248-M252 VanDerWaalsContact O-CG 3.31Å; T248-M252 WeakPolarHBondContact O-CG 3.2Å; T248-M252 PolarHBondContact O-N 2.79Å
249N97.9Very high96.7Very high45 Ų4558.6 Ų58.624%0.24128%0.283CS..Hα-helixtrans-61.9-45.1178.9-69.8-14.1000111.8S247 M252 L253 H274 F276 D279S247-N249 VanDerWaalsContact C-N 3.29Å; S247-N249 PolarHBondContact O-N 2.73Å; N249-M252 PolarHBondContact O-N 2.85Å; N249-L253 PolarHBondContact O-N 3.49Å; N249-L253 VanDerWaalsContact O-N 3.11Å; N249-H274 PolarHBondContact O-CE1 3.15Å; N249-H274 VanDerWaalsContact O-CE1 3.23Å; N249-F276 HydrophobicContact CB-CB 4.31Å; N249-D279 PolarHBondContact ND2-OD2 2.91Å
250A98Very high96.6Very high0 Ų056.8 Ų56.80%028%0.283CS..Hα-helixtrans-65-42.5176.500000111.8L217 V246 S247 T248 L253 I254 F276L217-A250 HydrophobicContact CD1-CB 3.77Å; V246-A250 HydrophobicContact CG1-CB 3.58Å; S247-A250 PolarHBondContact O-N 2.79Å; S247-A250 WeakPolarHBondContact OG-CB 3.01Å; S247-A250 PolarHBondContact OG-N 2.78Å; S247-A250 VanDerWaalsContact OG-N 3.16Å; T248-A250 PolarHBondContact O-N 2.95Å; A250-L253 PolarHBondContact O-N 2.8Å; A250-I254 VanDerWaalsContact O-CG1 3.28Å; A250-I254 WeakPolarHBondContact O-CG1 3.42Å; A250-I254 PolarHBondContact O-N 2.95Å; A250-F276 HydrophobicContact CB-CD2 3.69Å; A250-F276 HydrophobicContact CB-CE2 3.67Å
251S98.1Very high96.5Very high22 Ų2257.9 Ų57.915%0.15429%0.292CS..Hα-helixtrans-61.2-43.3177.5-177.20000112.2I242 S247 T248 I254 R255I242-S251 WeakPolarHBondContact CD1-OG 3.32Å; S247-S251 VanDerWaalsContact O-CB 3.26Å; S247-S251 WeakPolarHBondContact O-CB 3.33Å; S247-S251 PolarHBondContact O-N 2.84Å; T248-S251 WeakPolarHBondContact O-CB 3.48Å; T248-S251 PolarHBondContact O-N 2.88Å; S251-I254 PolarHBondContact O-N 2.78Å; S251-R255 VanDerWaalsContact O-CG 3.3Å; S251-R255 WeakPolarHBondContact O-CG 3.43Å; S251-R255 PolarHBondContact O-N 3.06Å
252M98.1Very high96.3Very high102 Ų10249.7 Ų49.750%0.50227%0.265SS..Hα-helixtrans-63.2-44.1175.8-74.5178.2172.300112.1T248 N249 I254 R255 S256T248-M252 HydrophobicContact CG2-CE 3.69Å; T248-M252 HydrophobicContact CG2-CG 4.42Å; T248-M252 HydrophobicContact CG2-SD 4.08Å; T248-M252 WeakPolarHBondContact O-CB 3.44Å; T248-M252 VanDerWaalsContact O-CG 3.31Å; T248-M252 WeakPolarHBondContact O-CG 3.2Å; T248-M252 PolarHBondContact O-N 2.79Å; N249-M252 PolarHBondContact O-N 2.85Å; M252-I254 PolarHBondContact O-N 3.43Å; M252-R255 PolarHBondContact O-N 3.11Å; M252-S256 WeakPolarHBondContact O-CB 3.26Å; M252-S256 PolarHBondContact O-N 3.03Å
253L98.6Very high96.2Very high1 Ų156 Ų561%0.00529%0.293CS..Hα-helixtrans-63-44.3177.2-17955.4000111.6L213 N249 A250 R255 S256 L257 V271 H274 F276 F277L213-L253 HydrophobicContact CD2-CB 4.18Å; L213-L253 HydrophobicContact CD2-CD2 3.59Å; L213-L253 HydrophobicContact CD2-CG 3.76Å; N249-L253 PolarHBondContact O-N 3.49Å; N249-L253 VanDerWaalsContact O-N 3.11Å; A250-L253 PolarHBondContact O-N 2.8Å; L253-R255 VanDerWaalsContact C-N 3.31Å; L253-R255 PolarHBondContact O-N 2.88Å; L253-S256 PolarHBondContact O-N 3.49Å; L253-L257 HydrophobicContact CD1-CD1 3.85Å; L253-L257 HydrophobicContact CD1-CG 4.01Å; L253-L257 HydrophobicContact CG-CD1 3.88Å; L253-L257 HydrophobicContact CG-CG 4.46Å; L253-L257 WeakPolarHBondContact O-CG 3Å; L253-L257 PolarHBondContact O-N 2.76Å; L253-V271 HydrophobicContact CD1-CG1 4.44Å; L253-H274 HydrophobicContact CD1-CB 4.07Å; L253-H274 PolarHBondContact N-CE1 3.43Å; L253-H274 PolarHBondContact N-NE2 3.33Å; L253-F276 HydrophobicContact CB-CB 4.16Å; L253-F276 HydrophobicContact CD2-CB 3.85Å; L253-F276 HydrophobicContact CD2-CD1 3.41Å; L253-F276 VanDerWaalsContact CD2-CD1 3.41Å; L253-F276 HydrophobicContact CD2-CE1 4.23Å; L253-F276 HydrophobicContact CD2-CG 3.82Å; L253-F277 HydrophobicContact CD2-CD2 4.34Å; L253-F277 HydrophobicContact CD2-CE2 3.61Å; L253-F277 HydrophobicContact CD2-CZ 4.14Å
254I98.6Very high96.2Very high0 Ų062 Ų620%031%0.31CS..Hα-helixtrans-56.8-46.8175.9-71.6167.7000110.2L213 Y214 L217 Y240 I242 V246 A250 S251 M252 S256 L257 L258L213-I254 HydrophobicContact CB-CG1 4.39Å; L213-I254 HydrophobicContact CD2-CG1 3.75Å; L213-I254 HydrophobicContact CG-CD1 4.29Å; L213-I254 HydrophobicContact CG-CG1 3.81Å; Y214-I254 HydrophobicContact CD2-CD1 4.38Å; Y214-I254 HydrophobicContact CD2-CG2 4.02Å; L217-I254 HydrophobicContact CD1-CD1 4.48Å; Y240-I254 HydrophobicContact CE2-CG2 3.92Å; I242-I254 HydrophobicContact CD1-CB 4.06Å; I242-I254 HydrophobicContact CD1-CD1 4.47Å; I242-I254 HydrophobicContact CD1-CG2 3.76Å; I242-I254 HydrophobicContact CG1-CG2 4.36Å; V246-I254 HydrophobicContact CG1-CD1 4.45Å; A250-I254 VanDerWaalsContact O-CG1 3.28Å; A250-I254 WeakPolarHBondContact O-CG1 3.42Å; A250-I254 PolarHBondContact O-N 2.95Å; S251-I254 PolarHBondContact O-N 2.78Å; M252-I254 PolarHBondContact O-N 3.43Å; I254-S256 VanDerWaalsContact C-N 3.35Å; I254-S256 PolarHBondContact O-N 3.14Å; I254-L257 PolarHBondContact O-N 3.47Å; I254-L258 HydrophobicContact CG2-CD1 3.9Å; I254-L258 HydrophobicContact CG2-CG 4.49Å; I254-L258 VanDerWaalsContact O-CB 3.31Å; I254-L258 WeakPolarHBondContact O-CB 3.45Å; I254-L258 WeakPolarHBondContact O-CG 3.42Å; I254-L258 PolarHBondContact O-N 3.47Å
255R98.2Very high96.5Very high141 Ų14154.1 Ų54.153%0.53227%0.269SS..Hα-helixtrans-65.2-37.2179.8-71.3172.4-175.2-78.33113Y240 I242 S251 M252 L253 L258 H259Y240-R255 WeakPolarHBondContact OH-CA 3.31Å; I242-R255 HydrophobicContact CD1-CG 4.12Å; S251-R255 VanDerWaalsContact O-CG 3.3Å; S251-R255 WeakPolarHBondContact O-CG 3.43Å; S251-R255 PolarHBondContact O-N 3.06Å; M252-R255 PolarHBondContact O-N 3.11Å; L253-R255 VanDerWaalsContact C-N 3.31Å; L253-R255 PolarHBondContact O-N 2.88Å; R255-L258 CarbonylContact O-C 3.56Å; R255-H259 PolarHBondContact O-N 3.38Å
256S98.2Very high96.7Very high42 Ų4250.8 Ų50.829%0.29426%0.259SS..Hα-helixtrans-66.2-44.1176.4-177.40000111.8M252 L253 I254 P266M252-S256 WeakPolarHBondContact O-CB 3.26Å; M252-S256 PolarHBondContact O-N 3.03Å; L253-S256 PolarHBondContact O-N 3.49Å; I254-S256 VanDerWaalsContact C-N 3.35Å; I254-S256 PolarHBondContact O-N 3.14Å; S256-P266 WeakPolarHBondContact O-CD 3.46Å; S256-P266 WeakPolarHBondContact OG-CD 3.48Å
257L98.2Very high96.7Very high0 Ų053.9 Ų53.90%028%0.275CS..Hα-helixtrans-72-36.9178.1-69.2168.9000113L209 L253 I254 H259 R265 P266 V271L209-L257 HydrophobicContact CD2-CD1 4.32Å; L209-L257 HydrophobicContact CD2-CD2 4.2Å; L209-L257 HydrophobicContact CG-CD1 4.21Å; L253-L257 HydrophobicContact CD1-CD1 3.85Å; L253-L257 HydrophobicContact CD1-CG 4.01Å; L253-L257 HydrophobicContact CG-CD1 3.88Å; L253-L257 HydrophobicContact CG-CG 4.46Å; L253-L257 WeakPolarHBondContact O-CG 3Å; L253-L257 PolarHBondContact O-N 2.76Å; I254-L257 PolarHBondContact O-N 3.47Å; L257-H259 VanDerWaalsContact C-N 3.28Å; L257-H259 PolarHBondContact O-N 2.63Å; L257-R265 WeakPolarHBondContact O-CD 3.2Å; L257-P266 HydrophobicContact CD2-CG 3.84Å; L257-V271 HydrophobicContact CD2-CG2 4.16Å
258L97.8Very high96.7Very high0 Ų052.3 Ų52.30%026%0.264CS..THydrogen-bonded Turntrans-93.232.6177.5-60.5-177.8000112.5W207 P222 F223 N238 Y240 I254 R255W207-L258 HydrophobicContact CD2-CD2 3.81Å; W207-L258 HydrophobicContact CE3-CB 4.48Å; W207-L258 HydrophobicContact CE3-CD2 3.94Å; W207-L258 HydrophobicContact CG-CD2 4.28Å; W207-L258 HydrophobicContact CH2-CD2 4.45Å; W207-L258 HydrophobicContact CZ2-CD2 4.33Å; W207-L258 HydrophobicContact CZ3-CB 4.25Å; W207-L258 HydrophobicContact CZ3-CD2 4.26Å; W207-L258 WeakPolarHBondContact O-CD2 3.11Å; P222-L258 HydrophobicContact CB-CD1 4.2Å; P222-L258 HydrophobicContact CG-CD1 4.09Å; F223-L258 HydrophobicContact CE2-CD1 4.44Å; F223-L258 HydrophobicContact CE2-CD2 4.4Å; F223-L258 HydrophobicContact CZ-CD1 4.36Å; N238-L258 PolarHBondContact ND2-O 2.62Å; N238-L258 PolarHBondContact OD1-O 3.27Å; Y240-L258 HydrophobicContact CD2-CD1 4.45Å; Y240-L258 HydrophobicContact CE1-CB 4.13Å; Y240-L258 HydrophobicContact CE1-CD1 4.28Å; Y240-L258 HydrophobicContact CE2-CD1 4.1Å; I254-L258 HydrophobicContact CG2-CD1 3.9Å; I254-L258 HydrophobicContact CG2-CG 4.49Å; I254-L258 VanDerWaalsContact O-CB 3.31Å; I254-L258 WeakPolarHBondContact O-CB 3.45Å; I254-L258 WeakPolarHBondContact O-CG 3.42Å; I254-L258 PolarHBondContact O-N 3.47Å; R255-L258 CarbonylContact O-C 3.56Å
259H97.1Very high96.7Very high59 Ų5952 Ų5227%0.27326%0.255SS..  trans-71.2135.7172.5-164.8-73.4000110R255 L257 D261 R264 R265R255-H259 PolarHBondContact O-N 3.38Å; L257-H259 VanDerWaalsContact C-N 3.28Å; L257-H259 PolarHBondContact O-N 2.63Å; H259-D261 PolarHBondContact ND1-N 3.39Å; H259-D261 VanDerWaalsContact ND1-N 3.15Å; H259-D261 PolarHBondContact ND1-O 2.64Å; H259-R264 WeakPolarHBondContact CE1-CD 3.4Å; H259-R264 WeakPolarHBondContact NE2-CD 3.46Å; H259-R265 HydrophobicContact CB-CG 4.08Å; H259-R265 PolarHBondContact O-NE 3.1Å; H259-R265 PolarHBondContact O-NH2 2.8Å
260A93.6Very high96.6Very high48 Ų4853.9 Ų53.940%0.39727%0.265SS..SBendtrans-63.1-45.9-175.800000112.2N238 P262 R265N238-A260 HydrophobicContact CB-CB 4.25Å; A260-P262 WeakPolarHBondContact O-CD 3.44Å; A260-R265 PolarHBondContact O-NH2 2.93Å
261D93.8Very high96.6Very high60 Ų6054 Ų5432%0.32127%0.265SS..SBendtrans-71.3117.9170.9179.73.8000110.7H259 E263 R264H259-D261 PolarHBondContact ND1-N 3.39Å; H259-D261 VanDerWaalsContact ND1-N 3.15Å; H259-D261 PolarHBondContact ND1-O 2.64Å; D261-E263 VanDerWaalsContact C-N 3.29Å; D261-E263 PolarHBondContact O-N 3.21Å; D261-E263 PolarHBondContact OD1-N 2.82Å; D261-E263 VanDerWaalsContact OD1-N 3.09Å; D261-R264 HydrophobicContact CB-CB 4.37Å; D261-R264 HydrophobicContact CB-CG 4.31Å; D261-R264 PolarHBondContact O-N 3.28Å; D261-R264 WeakPolarHBondContact OD2-CD 3.47Å; D261-R264 WeakPolarHBondContact OD2-CG 3.45Å; D261-R264 IonicContact OD2-NE 3.79Å
262P93.4Very high96.6Very high32 Ų3254.6 Ų54.621%0.20827%0.267CS..G310 helixtrans-59.5-34179.2-22.433.7000114.1E193 E203 A260 R264 R265E193-P262 HydrophobicContact CB-CG 4.05Å; E193-P262 HydrophobicContact CG-CG 3.91Å; E203-P262 HydrophobicContact CB-CB 3.97Å; E203-P262 HydrophobicContact CG-CB 4.27Å; A260-P262 WeakPolarHBondContact O-CD 3.44Å; P262-R264 PolarHBondContact O-N 2.82Å; P262-R265 WeakPolarHBondContact O-CB 3.37Å; P262-R265 PolarHBondContact O-N 3.4Å; P262-R265 VanDerWaalsContact O-N 3.16Å
263E92.9Very high96.6Very high159 Ų15955 Ų5574%0.74327%0.271SS*.G310 helixtrans-72.4-20.5-175.7-64.8-177.5178.700112.5D261D261-E263 VanDerWaalsContact C-N 3.29Å; D261-E263 PolarHBondContact O-N 3.21Å; D261-E263 PolarHBondContact OD1-N 2.82Å; D261-E263 VanDerWaalsContact OD1-N 3.09Å
264R96Very high96.6Very high175 Ų17557 Ų5766%0.6628%0.28SS*.G310 helixtrans-87.5-7.1174.9-71.1177.3177-158.41.6113.5H259 D261 P262H259-R264 WeakPolarHBondContact CE1-CD 3.4Å; H259-R264 WeakPolarHBondContact NE2-CD 3.46Å; D261-R264 HydrophobicContact CB-CB 4.37Å; D261-R264 HydrophobicContact CB-CG 4.31Å; D261-R264 PolarHBondContact O-N 3.28Å; D261-R264 WeakPolarHBondContact OD2-CD 3.47Å; D261-R264 WeakPolarHBondContact OD2-CG 3.45Å; D261-R264 IonicContact OD2-NE 3.79Å; P262-R264 PolarHBondContact O-N 2.82Å
265R97.2Very high96.5Very high12 Ų1260.5 Ų60.55%0.04530%0.299CS..SBendtrans-75.1143.3174.1-59.7178.7-163.1144.48.7109.1E193 E203 L257 H259 A260 P262 N267E193-R265 IonicContact OE1-CZ 3.21Å; E193-R265 IonicContact OE1-NH1 3.78Å; E193-R265 PolarHBondContact OE1-NH1 3.29Å; E193-R265 IonicContact OE1-NH2 2.87Å; E193-R265 IonicContact OE2-CZ 3.4Å; E193-R265 IonicContact OE2-NH1 3.52Å; E193-R265 PolarHBondContact OE2-NH1 3.02Å; E193-R265 IonicContact OE2-NH2 2.73Å; E193-R265 PolarHBondContact OE2-NH2 2.88Å; E203-R265 PolarHBondContact O-NH1 2.95Å; E203-R265 VanDerWaalsContact O-NH1 3.13Å; L257-R265 WeakPolarHBondContact O-CD 3.2Å; H259-R265 HydrophobicContact CB-CG 4.08Å; H259-R265 PolarHBondContact O-NE 3.1Å; H259-R265 PolarHBondContact O-NH2 2.8Å; A260-R265 PolarHBondContact O-NH2 2.93Å; P262-R265 WeakPolarHBondContact O-CB 3.37Å; P262-R265 PolarHBondContact O-N 3.4Å; P262-R265 VanDerWaalsContact O-N 3.16Å; R265-N267 PolarHBondContact O-N 2.56Å
266P96.9Very high96.5Very high24 Ų2453.8 Ų53.816%0.15627%0.274CS..PPolyproline II helixtrans-64.6136174.927.1-33000109.8S206 S256 L257 V271S206-P266 PolarHBondContact OG-O 2.72Å; S256-P266 WeakPolarHBondContact O-CD 3.46Å; S256-P266 WeakPolarHBondContact OG-CD 3.48Å; L257-P266 HydrophobicContact CD2-CG 3.84Å; P266-V271 HydrophobicContact CB-CG2 4.17Å; P266-V271 HydrophobicContact CG-CG2 4.08Å
267N94.9Very high96.5Very high77 Ų7752.9 Ų52.941%0.41227%0.265SS..PPolyproline II helixtrans-64.9158.116775.856.6000109.5R265 F269 N270 V271R265-N267 PolarHBondContact O-N 2.56Å; N267-F269 PolarHBondContact O-N 2.96Å; N267-F269 VanDerWaalsContact O-N 3.07Å; N267-F269 WeakPolarHBondContact OD1-CA 3.38Å; N267-F269 VanDerWaalsContact OD1-CB 3.31Å; N267-F269 WeakPolarHBondContact OD1-CB 3.43Å; N267-F269 PolarHBondContact OD1-N 2.99Å; N267-N270 PolarHBondContact ND2-ND2 3.27Å; N267-N270 PolarHBondContact ND2-OD1 3.44Å; N267-N270 PolarHBondContact O-N 2.93Å; N267-N270 PolarHBondContact OD1-N 3.01Å; N267-N270 VanDerWaalsContact OD1-N 3.12Å; N267-N270 PolarHBondContact OD1-OD1 2.87Å; N267-V271 WeakPolarHBondContact O-CG2 3.5Å; N267-V271 PolarHBondContact O-N 2.92Å
268M95.9Very high96.4Very high2 Ų260 Ų601%0.0130%0.295CS..THydrogen-bonded Turntrans-62.8-20.8-172.9-157.859.36300114.2V133 C136 Q137 D205 L209 V271V133-M268 HydrophobicContact CB-SD 4.32Å; V133-M268 HydrophobicContact CG1-CG 4.21Å; V133-M268 WeakPolarHBondContact CG1-O 3.4Å; V133-M268 HydrophobicContact CG1-SD 4.01Å; V133-M268 HydrophobicContact CG2-SD 4.15Å; C136-M268 HydrophobicContact CB-CE 3.77Å; C136-M268 HydrophobicContact CB-CG 3.5Å; C136-M268 HydrophobicContact CB-SD 3.63Å; Q137-M268 HydrophobicContact CG-CB 4.29Å; Q137-M268 HydrophobicContact CG-CG 3.86Å; Q137-M268 WeakPolarHBondContact CG-O 3.45Å; Q137-M268 PolarHBondContact NE2-O 2.84Å; D205-M268 HydrophobicContact CB-CE 4.26Å; L209-M268 HydrophobicContact CD2-CE 4.31Å; L209-M268 HydrophobicContact CD2-SD 3.96Å; M268-V271 HydrophobicContact SD-CG2 4.37Å
269F96.9Very high96.1Very high91 Ų9163.3 Ų63.340%0.39931%0.313SS..THydrogen-bonded Turntrans-78.6-25177.6-54.9-78.9000112.8Q137 H140 Q141 N267Q137-F269 HydrophobicContact CB-CD1 4.18Å; Q137-F269 HydrophobicContact CB-CE1 3.79Å; Q137-F269 HydrophobicContact CB-CZ 4.49Å; Q137-F269 HydrophobicContact CG-CD1 3.85Å; Q137-F269 HydrophobicContact CG-CE1 3.96Å; H140-F269 HydrophobicContact CB-CZ 4.42Å; Q141-F269 HydrophobicContact CG-CE1 3.78Å; Q141-F269 HydrophobicContact CG-CZ 3.69Å; N267-F269 PolarHBondContact O-N 2.96Å; N267-F269 VanDerWaalsContact O-N 3.07Å; N267-F269 WeakPolarHBondContact OD1-CA 3.38Å; N267-F269 VanDerWaalsContact OD1-CB 3.31Å; N267-F269 WeakPolarHBondContact OD1-CB 3.43Å; N267-F269 PolarHBondContact OD1-N 2.99Å
270N97.1Very high95.9Very high85 Ų8564 Ų6446%0.45532%0.316SS..THydrogen-bonded Turntrans-95.6-11.7-178.4-63.610.6000113.4N267 L272 D273N267-N270 PolarHBondContact ND2-ND2 3.27Å; N267-N270 PolarHBondContact ND2-OD1 3.44Å; N267-N270 PolarHBondContact O-N 2.93Å; N267-N270 PolarHBondContact OD1-N 3.01Å; N267-N270 VanDerWaalsContact OD1-N 3.12Å; N267-N270 PolarHBondContact OD1-OD1 2.87Å; N270-L272 VanDerWaalsContact C-N 3.29Å; N270-L272 PolarHBondContact O-N 3.48Å; N270-D273 PolarHBondContact O-N 2.73Å
271V98Very high95.8Very high1 Ų163.4 Ų63.41%0.00631%0.307CS..G310 helixtrans-59.9-37.9-174.6173.50000112.4V133 L209 L253 L257 P266 N267 M268 D273 H274 F277V133-V271 HydrophobicContact CG1-CB 4.24Å; V133-V271 HydrophobicContact CG2-CB 4.26Å; V133-V271 HydrophobicContact CG2-CG1 3.73Å; L209-V271 HydrophobicContact CD2-CG1 4.07Å; L209-V271 HydrophobicContact CD2-CG2 4.5Å; L253-V271 HydrophobicContact CD1-CG1 4.44Å; L257-V271 HydrophobicContact CD2-CG2 4.16Å; P266-V271 HydrophobicContact CB-CG2 4.17Å; P266-V271 HydrophobicContact CG-CG2 4.08Å; N267-V271 WeakPolarHBondContact O-CG2 3.5Å; N267-V271 PolarHBondContact O-N 2.92Å; M268-V271 HydrophobicContact SD-CG2 4.37Å; V271-D273 VanDerWaalsContact C-N 3.26Å; V271-D273 PolarHBondContact O-N 3.35Å; V271-H274 WeakPolarHBondContact O-CB 3.49Å; V271-H274 PolarHBondContact O-N 2.88Å; V271-F277 HydrophobicContact CG1-CE2 3.91Å; V271-F277 HydrophobicContact CG1-CZ 4.41Å; V271-F277 WeakPolarHBondContact O-CD2 3.28Å; V271-F277 WeakPolarHBondContact O-CE2 3.42Å
272L97.7Very high95.7Very high35 Ų3560.7 Ų60.718%0.18329%0.293CS..G310 helixtrans-74.7-13.2-177.1-62.2-177.1000113.9K130 V133 N270 H274 F277K130-L272 HydrophobicContact CB-CD2 4.39Å; K130-L272 HydrophobicContact CG-CD1 4.36Å; K130-L272 HydrophobicContact CG-CD2 4.16Å; V133-L272 HydrophobicContact CB-CD2 3.92Å; V133-L272 HydrophobicContact CB-CG 4.27Å; V133-L272 HydrophobicContact CG1-CD1 4.1Å; V133-L272 HydrophobicContact CG1-CD2 3.88Å; V133-L272 HydrophobicContact CG1-CG 3.69Å; V133-L272 HydrophobicContact CG2-CD2 4.16Å; N270-L272 VanDerWaalsContact C-N 3.29Å; N270-L272 PolarHBondContact O-N 3.48Å; L272-H274 VanDerWaalsContact C-N 3.26Å; L272-H274 PolarHBondContact O-N 3.03Å; L272-F277 HydrophobicContact CD2-CD1 4.01Å; L272-F277 HydrophobicContact CD2-CD2 4.16Å; L272-F277 HydrophobicContact CD2-CE1 3.87Å; L272-F277 HydrophobicContact CD2-CE2 4.02Å; L272-F277 HydrophobicContact CD2-CG 4.16Å; L272-F277 HydrophobicContact CD2-CZ 3.87Å
273D97.4Very high95.5Very high112 Ų11267.1 Ų67.160%0.59933%0.325SS*.G310 helixtrans-79.1-12.6177.5-59.4-37.5000112.5N270 V271N270-D273 PolarHBondContact O-N 2.73Å; V271-D273 VanDerWaalsContact C-N 3.26Å; V271-D273 PolarHBondContact O-N 3.35Å
274H98Very high95.3Very high41 Ų4160.1 Ų60.119%0.1930%0.295CS..SBendtrans-64.4142179.6-170.5-79.8000112.1N249 L253 V271 L272 F276 F277N249-H274 PolarHBondContact O-CE1 3.15Å; N249-H274 VanDerWaalsContact O-CE1 3.23Å; L253-H274 HydrophobicContact CD1-CB 4.07Å; L253-H274 PolarHBondContact N-CE1 3.43Å; L253-H274 PolarHBondContact N-NE2 3.33Å; V271-H274 WeakPolarHBondContact O-CB 3.49Å; V271-H274 PolarHBondContact O-N 2.88Å; L272-H274 VanDerWaalsContact C-N 3.26Å; L272-H274 PolarHBondContact O-N 3.03Å; H274-F276 WeakPolarHBondContact ND1-CB 3.39Å; H274-F276 PolarHBondContact ND1-N 3.44Å; H274-F276 VanDerWaalsContact ND1-N 3.14Å; H274-F276 PolarHBondContact O-N 2.92Å; H274-F277 HydrophobicContact CB-CD2 4.47Å; H274-F277 PolarHBondContact O-N 2.76Å
275D97.6Very high95.1Very high75 Ų7552 Ų5240%0.40127%0.265SS..G310 helixtrans-54.3-31.3-175.4-69.5-28.4000114.1F277 K278D275-F277 PolarHBondContact O-N 2.84Å; D275-F277 VanDerWaalsContact O-N 3.1Å; D275-K278 WeakPolarHBondContact O-CB 3.42Å; D275-K278 PolarHBondContact O-N 2.96Å; D275-K278 WeakPolarHBondContact OD1-CD 3.3Å; D275-K278 VanDerWaalsContact OD1-CE 3.22Å; D275-K278 WeakPolarHBondContact OD1-CE 3.44Å; D275-K278 IonicContact OD1-NZ 3.6Å; D275-K278 PolarHBondContact OD1-NZ 2.86Å
276F98.2Very high94.7Very high0 Ų051.7 Ų51.70%027%0.265CS..G310 helixtrans-47.5-37.7170.9178.5-106.1000113.5E122 A125 R126 L213 N249 A250 L253 H274E122-F276 HydrophobicContact CB-CE2 4.26Å; E122-F276 HydrophobicContact CG-CE2 4.42Å; A125-F276 HydrophobicContact CB-CZ 4.42Å; R126-F276 HydrophobicContact CB-CE1 4.1Å; R126-F276 HydrophobicContact CB-CZ 4.2Å; R126-F276 HydrophobicContact CG-CE1 4.33Å; R126-F276 VanDerWaalsContact CZ-O 3.24Å; R126-F276 PolarHBondContact NE-O 2.9Å; R126-F276 PolarHBondContact NH2-O 2.9Å; L213-F276 HydrophobicContact CD1-CE1 4.3Å; L213-F276 HydrophobicContact CD1-CZ 4.15Å; N249-F276 HydrophobicContact CB-CB 4.31Å; A250-F276 HydrophobicContact CB-CD2 3.69Å; A250-F276 HydrophobicContact CB-CE2 3.67Å; L253-F276 HydrophobicContact CB-CB 4.16Å; L253-F276 HydrophobicContact CD2-CB 3.85Å; L253-F276 HydrophobicContact CD2-CD1 3.41Å; L253-F276 VanDerWaalsContact CD2-CD1 3.41Å; L253-F276 HydrophobicContact CD2-CE1 4.23Å; L253-F276 HydrophobicContact CD2-CG 3.82Å; H274-F276 WeakPolarHBondContact ND1-CB 3.39Å; H274-F276 PolarHBondContact ND1-N 3.44Å; H274-F276 VanDerWaalsContact ND1-N 3.14Å; H274-F276 PolarHBondContact O-N 2.92Å
277F97.8Very high94.2Very high23 Ų2351.8 Ų51.810%0.10127%0.265CS..G310 helixtrans-87.2-6.6-179.4-67.7-77.9000114.3R126 M129 K130 L253 V271 L272 H274 D275R126-F277 HydrophobicContact CG-CD1 3.67Å; R126-F277 HydrophobicContact CG-CE1 4.19Å; M129-F277 HydrophobicContact CB-CE1 3.9Å; M129-F277 HydrophobicContact CB-CZ 3.92Å; K130-F277 HydrophobicContact CB-CE1 4.33Å; L253-F277 HydrophobicContact CD2-CD2 4.34Å; L253-F277 HydrophobicContact CD2-CE2 3.61Å; L253-F277 HydrophobicContact CD2-CZ 4.14Å; V271-F277 HydrophobicContact CG1-CE2 3.91Å; V271-F277 HydrophobicContact CG1-CZ 4.41Å; V271-F277 WeakPolarHBondContact O-CD2 3.28Å; V271-F277 WeakPolarHBondContact O-CE2 3.42Å; L272-F277 HydrophobicContact CD2-CD1 4.01Å; L272-F277 HydrophobicContact CD2-CD2 4.16Å; L272-F277 HydrophobicContact CD2-CE1 3.87Å; L272-F277 HydrophobicContact CD2-CE2 4.02Å; L272-F277 HydrophobicContact CD2-CG 4.16Å; L272-F277 HydrophobicContact CD2-CZ 3.87Å; H274-F277 HydrophobicContact CB-CD2 4.47Å; H274-F277 PolarHBondContact O-N 2.76Å; D275-F277 PolarHBondContact O-N 2.84Å; D275-F277 VanDerWaalsContact O-N 3.1Å
278K95.7Very high93.8Very high148 Ų14848.2 Ų48.264%0.64325%0.246SC*.THydrogen-bonded Turntrans-78.8-24.4176.8-61.4-178.3-175.6166.70112.6D275D275-K278 WeakPolarHBondContact O-CB 3.42Å; D275-K278 PolarHBondContact O-N 2.96Å; D275-K278 WeakPolarHBondContact OD1-CD 3.3Å; D275-K278 VanDerWaalsContact OD1-CE 3.22Å; D275-K278 WeakPolarHBondContact OD1-CE 3.44Å; D275-K278 IonicContact OD1-NZ 3.6Å; D275-K278 PolarHBondContact OD1-NZ 2.86Å
279D92.4Very high93.6Very high70 Ų7048.1 Ų48.137%0.37425%0.246SC..SBendtrans-69.7166.4173.2-66.4-35.7000112R126 N249 T281R126-D279 WeakPolarHBondContact CD-O 3.41Å; R126-D279 PolarHBondContact NE-O 2.86Å; R126-D279 VanDerWaalsContact NH2-CB 3.32Å; R126-D279 IonicContact NH2-OD2 2.64Å; N249-D279 PolarHBondContact ND2-OD2 2.91Å; D279-T281 PolarHBondContact O-N 2.81Å; D279-T281 PolarHBondContact O-OG1 3.37Å
280F91.7Very high93.2Very high75 Ų7544.2 Ų44.233%0.32923%0.229SC..  trans-49.6119.9-174.6172.2-99.1000113.8P123 R126 P282 F296 M299P123-F280 HydrophobicContact CB-CD1 4.09Å; P123-F280 HydrophobicContact CB-CE1 4.33Å; P123-F280 HydrophobicContact CG-CD1 4.3Å; R126-F280 PolarHBondContact NH1-O 3.14Å; F280-P282 HydrophobicContact CE1-CB 4.07Å; F280-P282 HydrophobicContact CE1-CG 4.44Å; F280-P282 HydrophobicContact CZ-CB 4.04Å; F280-F296 HydrophobicContact CD1-CD1 4.38Å; F280-F296 AromaticContact CE1-CD1 3.75Å; F280-F296 HydrophobicContact CE1-CD1 3.75Å; F280-F296 HydrophobicContact CE1-CE1 4.08Å; F280-M299 HydrophobicContact CE1-CE 3.4Å; F280-M299 HydrophobicContact CE1-SD 4.22Å; F280-M299 HydrophobicContact CE2-CE 4.18Å; F280-M299 HydrophobicContact CE2-SD 3.93Å; F280-M299 HydrophobicContact CZ-CE 3.17Å; F280-M299 HydrophobicContact CZ-SD 3.37Å; F280-M299 WeakPolarHBondContact CZ-SD 3.42Å
281T92.9Very high92.7Very high35 Ų3540.9 Ų40.922%0.21521%0.212CC..  trans-112.4124.1171.9-46.90000109.5R126 D279R126-T281 HydrophobicContact CB-CG2 4.43Å; R126-T281 WeakPolarHBondContact CD-OG1 3.27Å; R126-T281 HydrophobicContact CG-CG2 3.96Å; R126-T281 WeakPolarHBondContact CG-OG1 3.48Å; D279-T281 PolarHBondContact O-N 2.81Å; D279-T281 PolarHBondContact O-OG1 3.37Å
282P90.9Very high92.2Very high3 Ų341.5 Ų41.52%0.01922%0.216CC..  trans-69.9148.4173.329.8-32.7000110.6P123 Y127 F280 G284 L285 F296 M479P123-P282 VanDerWaalsContact O-CD 3.27Å; P123-P282 WeakPolarHBondContact O-CD 3.29Å; Y127-P282 WeakPolarHBondContact CD2-O 3.46Å; Y127-P282 HydrophobicContact CG-CG 4.45Å; F280-P282 HydrophobicContact CE1-CB 4.07Å; F280-P282 HydrophobicContact CE1-CG 4.44Å; F280-P282 HydrophobicContact CZ-CB 4.04Å; P282-G284 VanDerWaalsContact C-N 3.31Å; P282-L285 HydrophobicContact CB-CD2 4.35Å; P282-L285 HydrophobicContact CG-CD2 3.84Å; P282-F296 HydrophobicContact CB-CE1 4.49Å; P282-F296 HydrophobicContact CG-CE1 4.26Å; P282-M479 HydrophobicContact CB-CE 3.95Å; P282-M479 HydrophobicContact CB-SD 3.88Å
283N88.7Confident91.7Very high167 Ų16740.5 Ų40.589%0.89321%0.212SC*.SBendtrans-81.4-11.7178.1-69-30000113.5
284G90.1Very high91.1Very high11 Ų1135.1 Ų35.111%0.11318%0.183CC..  trans-166.5166.8177.900000109.5P282 M479P282-G284 VanDerWaalsContact C-N 3.31Å; G284-M479 WeakPolarHBondContact O-CE 3.32Å
285L91.2Very high90.1Very high4 Ų433.4 Ų33.42%0.02118%0.175CC..  trans-126.7141.4175.5-69.9176.7000109.9E124 Y127 F128 L160 P282 P294E124-L285 HydrophobicContact CB-CD1 4.33Å; E124-L285 HydrophobicContact CG-CD1 4.24Å; E124-L285 HydrophobicContact CG-CD2 4.19Å; Y127-L285 HydrophobicContact CD1-CD1 3.33Å; Y127-L285 HydrophobicContact CD1-CG 3.7Å; Y127-L285 HydrophobicContact CE1-CB 4.37Å; Y127-L285 HydrophobicContact CE1-CD1 3.82Å; Y127-L285 HydrophobicContact CE1-CG 3.94Å; Y127-L285 HydrophobicContact CG-CD1 4.02Å; Y127-L285 HydrophobicContact CG-CG 4.09Å; F128-L285 HydrophobicContact CE1-CD1 3.92Å; F128-L285 HydrophobicContact CE2-CD1 4Å; F128-L285 HydrophobicContact CZ-CD1 3.5Å; F128-L285 VanDerWaalsContact CZ-CD1 3.5Å; L160-L285 HydrophobicContact CD1-CB 3.81Å; P282-L285 HydrophobicContact CB-CD2 4.35Å; P282-L285 HydrophobicContact CG-CD2 3.84Å; L285-P294 HydrophobicContact CD2-CG 4.49Å
286P88Confident89.2Confident6 Ų630.1 Ų30.14%0.03916%0.157CC..  trans-70.6150.5173.629.4-35.7000111L160 S288 C289 M479L160-P286 WeakPolarHBondContact CD1-O 3.38Å; P286-S288 PolarHBondContact O-N 3.07Å; P286-C289 WeakPolarHBondContact CD-SG 3.37Å; P286-C289 WeakPolarHBondContact O-CB 3.41Å; P286-C289 PolarHBondContact O-N 2.78Å; P286-C289 PolarHBondContact O-SG 3.3Å; P286-M479 HydrophobicContact CG-CB 3.98Å
287V87.1Confident87.8Confident27 Ų2733.7 Ų33.716%0.16418%0.176CC..G310 helixtrans-57.4-26.5177.3176.70000111.9C289 L290 P474V287-C289 PolarHBondContact O-N 2.77Å; V287-C289 VanDerWaalsContact O-N 3.11Å; V287-L290 HydrophobicContact CG1-CD1 4.14Å; V287-L290 WeakPolarHBondContact O-CB 3.46Å; V287-L290 WeakPolarHBondContact O-CG 3.37Å; V287-L290 PolarHBondContact O-N 3.32Å; V287-P474 HydrophobicContact CG2-CG 4.07Å
288S86.8Confident85.7Confident1 Ų136 Ų361%0.00719%0.192CC..G310 helixtrans-54.6-30.8174.666.90000113P286 L290 S291 T292 Y383 R481P286-S288 PolarHBondContact O-N 3.07Å; S288-L290 PolarHBondContact O-N 3.38Å; S288-S291 PolarHBondContact O-N 3.27Å; S288-S291 PolarHBondContact O-OG 3.28Å; S288-T292 PolarHBondContact O-N 3.29Å; S288-T292 PolarHBondContact O-OG1 3.21Å; S288-Y383 VanDerWaalsContact CA-OH 3.29Å; S288-Y383 WeakPolarHBondContact CA-OH 3.17Å; S288-Y383 WeakPolarHBondContact CB-OH 3.3Å; S288-Y383 PolarHBondContact N-OH 2.87Å; S288-R481 WeakPolarHBondContact CB-O 3.45Å; S288-R481 PolarHBondContact OG-N 2.96Å
289C90.4Very high83.7Confident1 Ų132.1 Ų32.11%0.00718%0.177CC..G310 helixtrans-52.6-23.9176-67.50000113.8L113 R117 L160 P286 V287 S291 T292 P294L113-C289 WeakPolarHBondContact CD1-O 3.45Å; R117-C289 WeakPolarHBondContact CD-O 3.43Å; R117-C289 PolarHBondContact NH1-O 3.1Å; L160-C289 HydrophobicContact CD1-CB 4.16Å; P286-C289 WeakPolarHBondContact CD-SG 3.37Å; P286-C289 WeakPolarHBondContact O-CB 3.41Å; P286-C289 PolarHBondContact O-N 2.78Å; P286-C289 PolarHBondContact O-SG 3.3Å; V287-C289 PolarHBondContact O-N 2.77Å; V287-C289 VanDerWaalsContact O-N 3.11Å; C289-S291 PolarHBondContact O-N 2.75Å; C289-T292 CarbonylContact C-O 3.53Å; C289-T292 VanDerWaalsContact CA-O 3.25Å; C289-T292 WeakPolarHBondContact CA-O 3.49Å; C289-P294 WeakPolarHBondContact SG-CB 3.34Å; C289-P294 VanDerWaalsContact SG-CD 3.6Å; C289-P294 WeakPolarHBondContact SG-CG 3.36Å
290L90Very high81.5Confident8 Ų833.4 Ų33.44%0.04218%0.181CC..G310 helixtrans-66.7-17.7177.2-65.3177.7000113.9R107 L113 R116 L156 L160 V287 S288 I382R107-L290 HydrophobicContact CB-CD1 4.11Å; R107-L290 HydrophobicContact CG-CD1 4.32Å; L113-L290 HydrophobicContact CB-CD2 4.36Å; L113-L290 HydrophobicContact CD1-CD2 4.46Å; R116-L290 WeakPolarHBondContact CB-O 3.25Å; R116-L290 VanDerWaalsContact CD-O 3.26Å; R116-L290 WeakPolarHBondContact CD-O 3Å; L156-L290 HydrophobicContact CD1-CD2 3.85Å; L160-L290 HydrophobicContact CD2-CD1 3.92Å; L160-L290 HydrophobicContact CD2-CD2 3.94Å; L160-L290 HydrophobicContact CD2-CG 3.95Å; V287-L290 HydrophobicContact CG1-CD1 4.14Å; V287-L290 WeakPolarHBondContact O-CB 3.46Å; V287-L290 WeakPolarHBondContact O-CG 3.37Å; V287-L290 PolarHBondContact O-N 3.32Å; S288-L290 PolarHBondContact O-N 3.38Å; L290-I382 HydrophobicContact CB-CD1 4.35Å; L290-I382 HydrophobicContact CB-CG1 4.13Å; L290-I382 HydrophobicContact CB-CG2 4.41Å; L290-I382 HydrophobicContact CD1-CD1 4.41Å
291S86.5Confident78.7Confident16 Ų1640.5 Ų40.511%0.11221%0.205CC..THydrogen-bonded Turntrans-136-21.9-176.471.80000114.8S288 C289 Y383S288-S291 PolarHBondContact O-N 3.27Å; S288-S291 PolarHBondContact O-OG 3.28Å; C289-S291 PolarHBondContact O-N 2.75Å; S291-Y383 VanDerWaalsContact OG-CD2 3.25Å; S291-Y383 WeakPolarHBondContact OG-CD2 3.48Å; S291-Y383 WeakPolarHBondContact OG-CE2 3.29Å
292T86.9Confident75.9Confident13 Ų1343.4 Ų43.48%0.0823%0.225CC..SBendtrans-131.2156.4-179.454.50000109.8R117 S288 C289 R481 P483 N501R117-T292 PolarHBondContact NH1-O 3.1Å; S288-T292 PolarHBondContact O-N 3.29Å; S288-T292 PolarHBondContact O-OG1 3.21Å; C289-T292 CarbonylContact C-O 3.53Å; C289-T292 VanDerWaalsContact CA-O 3.25Å; C289-T292 WeakPolarHBondContact CA-O 3.49Å; T292-R481 WeakPolarHBondContact CB-O 3.27Å; T292-R481 PolarHBondContact OG1-O 2.94Å; T292-P483 HydrophobicContact CG2-CB 4.1Å; T292-N501 HydrophobicContact CG2-CB 4.32Å
293C86.6Confident73.1Confident14 Ų1452.5 Ų52.510%0.09527%0.267CS..PPolyproline II helixtrans-69.2128.8171.5-178.80000110.7T121 R481T121-C293 WeakPolarHBondContact CG2-SG 3.44Å; C293-R481 WeakPolarHBondContact O-CB 3.48Å; C293-R481 WeakPolarHBondContact O-CD 3.2Å; C293-R481 PolarHBondContact O-NH1 2.8Å
294P84.7Confident70.6Confident0 Ų050.4 Ų50.40%026%0.261CS..PPolyproline II helixtrans-59.9161.6171.119.8-27.4000112.4E124 L285 C289 F296 M479E124-P294 VanDerWaalsContact CD-CG 3.4Å; E124-P294 HydrophobicContact CG-CG 3.65Å; E124-P294 VanDerWaalsContact OE1-CD 3.23Å; E124-P294 WeakPolarHBondContact OE1-CD 3.36Å; E124-P294 WeakPolarHBondContact OE1-CG 3.38Å; E124-P294 WeakPolarHBondContact OE2-CD 3.35Å; L285-P294 HydrophobicContact CD2-CG 4.49Å; C289-P294 WeakPolarHBondContact SG-CB 3.34Å; C289-P294 VanDerWaalsContact SG-CD 3.6Å; C289-P294 WeakPolarHBondContact SG-CG 3.36Å; P294-F296 HydrophobicContact CB-CE2 4.16Å; P294-F296 HydrophobicContact CB-CZ 4.02Å; P294-F296 HydrophobicContact CG-CE1 4.5Å; P294-F296 HydrophobicContact CG-CE2 3.56Å; P294-F296 HydrophobicContact CG-CZ 3.49Å; P294-F296 VanDerWaalsContact CG-CZ 3.49Å; P294-M479 HydrophobicContact CB-CB 4.4Å
295R77.4Confident67.9Low5 Ų552.6 Ų52.62%0.01928%0.283CS..PPolyproline II helixtrans-83.7130.1172-56.3-60.7-67.1-85.2-1.3109.8D297 E434 M479 R481R295-D297 WeakPolarHBondContact CB-OD1 3.25Å; R295-D297 IonicContact CZ-OD1 2.65Å; R295-D297 IonicContact CZ-OD2 3.17Å; R295-D297 IonicContact NE-OD1 2.87Å; R295-D297 PolarHBondContact NE-OD1 3.45Å; R295-D297 IonicContact NE-OD2 3.68Å; R295-D297 IonicContact NH2-OD1 3.81Å; R295-D297 PolarHBondContact NH2-OD1 3.4Å; R295-D297 IonicContact NH2-OD2 3.76Å; R295-D297 PolarHBondContact NH2-OD2 3.07Å; R295-E434 VanDerWaalsContact CZ-CD 3.45Å; R295-E434 IonicContact CZ-OE1 3.38Å; R295-E434 IonicContact CZ-OE2 2.69Å; R295-E434 IonicContact NE-OE2 3.26Å; R295-E434 IonicContact NH1-OE1 3.56Å; R295-E434 PolarHBondContact NH1-OE1 3.39Å; R295-E434 IonicContact NH1-OE2 3.33Å; R295-E434 PolarHBondContact NH1-OE2 2.89Å; R295-M479 PolarHBondContact N-O 3.42Å; R295-M479 VanDerWaalsContact O-CG 3.31Å; R295-M479 WeakPolarHBondContact O-CG 3.4Å; R295-R481 VanDerWaalsContact CD-NH2 3.27Å; R295-R481 HydrophobicContact CG-CB 4.02Å
296F78.8Confident64.9Low5 Ų564.2 Ų64.22%0.02233%0.326CS..  trans-120.3-4.9169.3-61.9-70.1000112.6T121 P123 E124 F280 P282 P294 T298 M299 V335 M479T121-F296 HydrophobicContact CG2-CE2 4.28Å; T121-F296 WeakPolarHBondContact OG1-CE2 3.38Å; P123-F296 HydrophobicContact CB-CD1 4Å; P123-F296 HydrophobicContact CB-CD2 4.5Å; P123-F296 HydrophobicContact CB-CE1 3.54Å; P123-F296 HydrophobicContact CB-CE2 4.07Å; P123-F296 HydrophobicContact CB-CG 4.48Å; P123-F296 HydrophobicContact CB-CZ 3.59Å; P123-F296 HydrophobicContact CG-CD1 4.25Å; P123-F296 HydrophobicContact CG-CD2 4.25Å; P123-F296 HydrophobicContact CG-CE1 4.22Å; P123-F296 HydrophobicContact CG-CE2 4.19Å; P123-F296 HydrophobicContact CG-CG 4.29Å; P123-F296 HydrophobicContact CG-CZ 4.2Å; E124-F296 HydrophobicContact CG-CE2 4.25Å; E124-F296 HydrophobicContact CG-CZ 3.87Å; F280-F296 HydrophobicContact CD1-CD1 4.38Å; F280-F296 AromaticContact CE1-CD1 3.75Å; F280-F296 HydrophobicContact CE1-CD1 3.75Å; F280-F296 HydrophobicContact CE1-CE1 4.08Å; P282-F296 HydrophobicContact CB-CE1 4.49Å; P282-F296 HydrophobicContact CG-CE1 4.26Å; P294-F296 HydrophobicContact CB-CE2 4.16Å; P294-F296 HydrophobicContact CB-CZ 4.02Å; P294-F296 HydrophobicContact CG-CE1 4.5Å; P294-F296 HydrophobicContact CG-CE2 3.56Å; P294-F296 HydrophobicContact CG-CZ 3.49Å; P294-F296 VanDerWaalsContact CG-CZ 3.49Å; F296-T298 PolarHBondContact O-N 2.84Å; F296-M299 HydrophobicContact CB-CE 4.49Å; F296-M299 HydrophobicContact CD1-CE 3.52Å; F296-M299 HydrophobicContact CE1-CE 4.23Å; F296-M299 HydrophobicContact CG-CE 4.47Å; F296-M299 PolarHBondContact O-N 3.36Å; F296-V335 HydrophobicContact CB-CG1 4.33Å; F296-V335 HydrophobicContact CB-CG2 3.98Å; F296-V335 HydrophobicContact CD2-CG1 3.97Å; F296-M479 HydrophobicContact CD1-SD 4.35Å; F296-M479 HydrophobicContact CE1-SD 3.99Å
297D69Low62.3Low76 Ų7674.9 Ų74.941%0.40637%0.366SS..THydrogen-bonded Turntrans-66.1-32.3-174.252.9-58.3000113.7R295 M299R295-D297 WeakPolarHBondContact CB-OD1 3.25Å; R295-D297 IonicContact CZ-OD1 2.65Å; R295-D297 IonicContact CZ-OD2 3.17Å; R295-D297 IonicContact NE-OD1 2.87Å; R295-D297 PolarHBondContact NE-OD1 3.45Å; R295-D297 IonicContact NE-OD2 3.68Å; R295-D297 IonicContact NH2-OD1 3.81Å; R295-D297 PolarHBondContact NH2-OD1 3.4Å; R295-D297 IonicContact NH2-OD2 3.76Å; R295-D297 PolarHBondContact NH2-OD2 3.07Å; D297-M299 VanDerWaalsContact C-N 3.28Å; D297-M299 PolarHBondContact O-N 2.75Å
298T54.6Low59.6Low72 Ų7278.1 Ų78.144%0.44239%0.388SS..THydrogen-bonded Turntrans-74.8-13.5177.939.50000114.2F296 L436F296-T298 PolarHBondContact O-N 2.84Å; T298-L436 HydrophobicContact CG2-CD1 3.89Å
299M52.9Low57.2Low65 Ų6586 Ų8632%0.3243%0.429SS..THydrogen-bonded Turntrans-98.1-13.4-176.6-65.3-172.2-68.400113.5F280 F296 D297 R301 M479F280-M299 HydrophobicContact CE1-CE 3.4Å; F280-M299 HydrophobicContact CE1-SD 4.22Å; F280-M299 HydrophobicContact CE2-CE 4.18Å; F280-M299 HydrophobicContact CE2-SD 3.93Å; F280-M299 HydrophobicContact CZ-CE 3.17Å; F280-M299 HydrophobicContact CZ-SD 3.37Å; F280-M299 WeakPolarHBondContact CZ-SD 3.42Å; F296-M299 HydrophobicContact CB-CE 4.49Å; F296-M299 HydrophobicContact CD1-CE 3.52Å; F296-M299 HydrophobicContact CE1-CE 4.23Å; F296-M299 HydrophobicContact CG-CE 4.47Å; F296-M299 PolarHBondContact O-N 3.36Å; D297-M299 VanDerWaalsContact C-N 3.28Å; D297-M299 PolarHBondContact O-N 2.75Å; M299-R301 PolarHBondContact O-N 2.66Å; M299-M479 HydrophobicContact CE-CG 3.78Å; M299-M479 HydrophobicContact CE-SD 3.43Å; M299-M479 WeakPolarHBondContact CE-SD 3.31Å; M299-M479 HydrophobicContact SD-CG 4.39Å; M299-M479 HydrophobicContact SD-SD 4.2Å
300H45.4Very low54.8Low98 Ų9890.1 Ų90.145%0.45446%0.457SS..  trans-86.653.4167.3-72.82.8000111P302H300-P302 WeakPolarHBondContact O-CD 3.46Å
301R33.6Very low52.3Low223 Ų22396 Ų9684%0.84249%0.489SS*.  trans-92.797.1151.9-145.3178.7-166-167.92.4104.7M299 Q303M299-R301 PolarHBondContact O-N 2.66Å; R301-Q303 PolarHBondContact O-N 2.91Å
302P34.5Very low50Low96 Ų96102.2 Ų102.262%0.62352%0.519SS*.  trans-52.6121.1166.421.2-29000105.5H300 T304H300-P302 WeakPolarHBondContact O-CD 3.46Å; P302-T304 HydrophobicContact CB-CG2 4.33Å; P302-T304 HydrophobicContact CG-CG2 4.48Å; P302-T304 PolarHBondContact O-N 3.32Å
303Q31.1Very low47.6Very low195 Ų195108.7 Ų108.791%0.91155%0.554SS**  trans-63.782.2160.6-67.2-174.14.400104.6R301 G305R301-Q303 PolarHBondContact O-N 2.91Å; Q303-G305 PolarHBondContact O-N 2.81Å
304T36.8Very low45.4Very low123 Ų123113.1 Ų113.176%0.75558%0.582SS**  trans-66.778.415947.10000104.8P302 R306P302-T304 HydrophobicContact CB-CG2 4.33Å; P302-T304 HydrophobicContact CG-CG2 4.48Å; P302-T304 PolarHBondContact O-N 3.32Å; T304-R306 PolarHBondContact O-N 3.15Å
305G34.6Very low42.8Very low56 Ų56118.9 Ų118.958%0.57762%0.617SS**  trans-50.1116.5161.400000105.7Q303 R307Q303-G305 PolarHBondContact O-N 2.81Å; G305-R307 PolarHBondContact O-N 3.3Å
306R27.3Very low40.5Very low248 Ų248126.7 Ų126.794%0.93665%0.654SS**  trans-44.4109168.9-72173.3171.3178.2-4.5107.6T304T304-R306 PolarHBondContact O-N 3.15Å
307R33.2Very low38.1Very low230 Ų230134 Ų13487%0.86869%0.693SS**  trans-92.1127.5160.9-71.1-170.6-178.2-177.10.6107.1G305G305-R307 PolarHBondContact O-N 3.3Å
308P31.1Very low36.3Very low96 Ų96136.6 Ų136.662%0.62371%0.712SS**  trans-61.6146.4-179.5-18.530.9000111.2S310P308-S310 PolarHBondContact O-N 3Å
309L35.2Very low34.8Very low166 Ų166139 Ų13987%0.86973%0.729SS**G310 helixtrans-63-6.2-172-163.268000114.7
310S39.6Very low33.6Very low87 Ų87143.6 Ų143.661%0.60875%0.752SS**G310 helixtrans-78.1-15-172.7520000115.4P308 I312P308-S310 PolarHBondContact O-N 3Å; S310-I312 PolarHBondContact O-N 3.07Å
311D38Very low32.8Very low133 Ų133144.9 Ų144.971%0.71177%0.767SS**G310 helixtrans-95.918.6-169.1-63.6-8000113.9
312I39.6Very low32.4Very low145 Ų145140.5 Ų140.574%0.74477%0.771SS**  trans-10374.7171.5-51.4177.1000108.1S310S310-I312 PolarHBondContact O-N 3.07Å
313N35.9Very low31.9Very low150 Ų150139.7 Ų139.780%0.80278%0.78SS**  trans-74.5132165.7-94-19.6000109.4
314P40.4Very low31.5Very low107 Ų107134.4 Ų134.470%0.69578%0.778SS**  trans-82147.8170.834.5-29.7000109
315V30Very low30.9Very low121 Ų121132 Ų13273%0.73378%0.778SS**  trans160.4132.7142161.40000111.7
316E29.8Very low30.6Very low168 Ų168134 Ų13479%0.78579%0.789SS**  trans88.486.2155.2-81.7157.7-15000122.4
317D27.6Very low30.5Very low160 Ų160130.7 Ų130.786%0.85679%0.789SS**  16.6106.1124.9-62.2-38.4000120
318V30.6Very low30.1Very low130 Ų130122.5 Ų122.579%0.78878%0.776SS**  trans-141.9133.8149.2-173.40000109I320V318-I320 PolarHBondContact O-N 3.5Å
319P23.9Very low29.8Very low123 Ų123125.7 Ų125.780%0.79979%0.788SS**PPolyproline II helixtrans-86.3120.1-161.330.1-26.2000112.2
320I28.3Very low29.3Very low160 Ų160124.2 Ų124.282%0.82179%0.785SS**PPolyproline II helixtrans-98.2117.8173.1-64.5176000108.9V318V318-I320 PolarHBondContact O-N 3.5Å
321T26.7Very low28.6Very low125 Ų125122.9 Ų122.977%0.76779%0.785SS**PPolyproline II helixtrans-52.1137.2170.845.50000112.1G323T321-G323 PolarHBondContact O-N 3.2Å
322S26.9Very low28.1Very low132 Ų132119.4 Ų119.492%0.92378%0.781SS**SBendtrans-13.7110.9171.7-53.50000116.7
323G24.3Very low27.6Very low78 Ų78115.8 Ų115.880%0.80477%0.772SS**  trans165.8-9.7165.800000118T321 G325T321-G323 PolarHBondContact O-N 3.2Å; G323-G325 PolarHBondContact O-N 3.46Å; G323-G325 VanDerWaalsContact O-N 3.09Å
324G21.7Very low27.5Very low84 Ų84113.1 Ų113.187%0.86677%0.771SS**  trans-84.773-177.600000114A326G324-A326 PolarHBondContact O-N 2.79Å
325G24.8Very low27.4Very low74 Ų74110.5 Ų110.576%0.76375%0.753SS**  trans-59.9130.5165.200000110.7G323G323-G325 PolarHBondContact O-N 3.46Å; G323-G325 VanDerWaalsContact O-N 3.09Å
326A27.4Very low27.9Very low98 Ų98109.4 Ų109.481%0.8174%0.743SS**  trans-39.4134.4-173.900000115.1G324 G328G324-A326 PolarHBondContact O-N 2.79Å; A326-G328 PolarHBondContact O-N 3.14Å
327L25.2Very low28.8Very low177 Ų177110.1 Ų110.193%0.92774%0.744SS**  trans-59.275.3161-77.1153.8000109.5N329L327-N329 PolarHBondContact O-N 2.69Å
328G25Very low29.9Very low58 Ų58104.6 Ų104.660%0.59872%0.72SS**  trans-62.3126.5164.400000107.7A326 V330A326-G328 PolarHBondContact O-N 3.14Å; G328-V330 PolarHBondContact O-N 3.17Å
329N24.3Very low31.3Very low164 Ų164104.4 Ų104.488%0.87772%0.719SS**  trans-21.8109.7171.1-85.5-20.7000111.6L327 G331L327-N329 PolarHBondContact O-N 2.69Å; N329-G331 PolarHBondContact O-N 2.79Å
330V26.2Very low33.6Very low135 Ų135102.2 Ų102.282%0.81870%0.698SS**  trans-66.481.8165-175.60000105.5G328 G332G328-V330 PolarHBondContact O-N 3.17Å; V330-G332 PolarHBondContact O-N 3Å
331G24.8Very low36.2Very low59 Ų5996.6 Ų96.661%0.60867%0.672SS**  trans-49.7123.9164.100000105.9N329 A333N329-G331 PolarHBondContact O-N 2.79Å; G331-A333 PolarHBondContact O-N 3.01Å; G331-A333 VanDerWaalsContact O-N 3.08Å
332G26.3Very low38.9Very low59 Ų5998.1 Ų98.161%0.60868%0.676SS**  trans-41.5122.1-173.400000109.5V330 A334V330-G332 PolarHBondContact O-N 3Å; G332-A334 PolarHBondContact O-N 3.04Å
333A30Very low41.9Very low69 Ų6993.8 Ų93.857%0.5764%0.642SS**  trans-41.4111.3-176.600000108.2G331 V335G331-A333 PolarHBondContact O-N 3.01Å; G331-A333 VanDerWaalsContact O-N 3.08Å; A333-V335 PolarHBondContact O-N 2.92Å
334A33Very low45.1Very low95 Ų9590.5 Ų90.579%0.78561%0.607SS**  trans-59.199.417500000105.3G332 D336G332-A334 PolarHBondContact O-N 3.04Å; A334-D336 PolarHBondContact O-N 3.27Å
335V38.3Very low48.5Very low52 Ų5289.6 Ų89.632%0.31558%0.577SS.*  trans-53.9110.8-179.9176.50000105.6F296 A333 K337F296-V335 HydrophobicContact CB-CG1 4.33Å; F296-V335 HydrophobicContact CB-CG2 3.98Å; F296-V335 HydrophobicContact CD2-CG1 3.97Å; A333-V335 PolarHBondContact O-N 2.92Å; V335-K337 PolarHBondContact O-N 2.71Å
336D41.5Very low51.8Low98 Ų9886.1 Ų86.152%0.52454%0.541SS..  trans-27.9106.1-176.4-94.8-33.6000110.3A334 A338A334-D336 PolarHBondContact O-N 3.27Å; D336-A338 PolarHBondContact O-N 3Å
337K47.3Very low55Low183 Ų18382.9 Ų82.980%0.79652%0.517SS*.  trans-59.8103.1159.6-80.5-172.2179.5-1790103.9V335 V339V335-K337 PolarHBondContact O-N 2.71Å; K337-V339 PolarHBondContact O-N 2.8Å; K337-V339 VanDerWaalsContact O-N 3.14Å
338A52.1Low58.2Low44 Ų4476.5 Ų76.536%0.36448%0.484SS..  trans-43.8127.6174.200000107.6Y119 D336 Q340Y119-A338 HydrophobicContact CE2-CB 4.2Å; Y119-A338 VanDerWaalsContact OH-CA 3.29Å; Y119-A338 WeakPolarHBondContact OH-CA 3.04Å; D336-A338 PolarHBondContact O-N 3Å; A338-Q340 PolarHBondContact O-N 2.87Å
339V60.2Low61.6Low125 Ų12573.7 Ų73.776%0.75846%0.455SS*.  trans-66.577.6-178.8-176.10000107.5Y119 K337Y119-V339 PolarHBondContact OH-N 3.39Å; K337-V339 PolarHBondContact O-N 2.8Å; K337-V339 VanDerWaalsContact O-N 3.14Å
340Q71.2Confident64.9Low77 Ų7769.3 Ų69.336%0.3643%0.428SS..  trans-83.1133.3171-173.9172.51900106.9A338 S500A338-Q340 PolarHBondContact O-N 2.87Å; Q340-S500 PolarHBondContact NE2-O 3.28Å; Q340-S500 PolarHBondContact OE1-O 2.84Å
341P82.1Confident68.2Low42 Ų4267.8 Ų67.827%0.27341%0.412SS..  trans-55.9145.4173.4-2534.5000111.4D343 C344 W345P341-D343 WeakPolarHBondContact CB-OD1 3.26Å; P341-D343 PolarHBondContact O-N 2.9Å; P341-D343 VanDerWaalsContact O-N 3.14Å; P341-C344 WeakPolarHBondContact O-CA 3.42Å; P341-C344 PolarHBondContact O-N 3.31Å; P341-W345 VanDerWaalsContact CD-CE2 3.44Å; P341-W345 HydrophobicContact CG-CD2 3.84Å; P341-W345 HydrophobicContact CG-CE3 3.66Å; P341-W345 HydrophobicContact CG-CH2 3.63Å; P341-W345 HydrophobicContact CG-CZ2 3.83Å; P341-W345 HydrophobicContact CG-CZ3 3.55Å
342D84.7Confident71.5Confident158 Ų15867.1 Ų67.185%0.84539%0.393SS*.THydrogen-bonded Turntrans-58.7-28.4180-64.4-28.3000113.1C344 R486D342-C344 VanDerWaalsContact C-N 3.28Å; D342-R486 PolarHBondContact O-NH1 2.99Å
343D89.9Confident74.8Confident40 Ų4064.3 Ų64.321%0.21436%0.364CS..THydrogen-bonded Turntrans-83.3-2.4176.179.8-16.7000113.4P341 W345 L346 G347 R486 H498P341-D343 WeakPolarHBondContact CB-OD1 3.26Å; P341-D343 PolarHBondContact O-N 2.9Å; P341-D343 VanDerWaalsContact O-N 3.14Å; D343-W345 VanDerWaalsContact C-N 3.29Å; D343-W345 PolarHBondContact O-N 3.4Å; D343-W345 PolarHBondContact OD1-N 3.25Å; D343-L346 HydrophobicContact CB-CB 4.31Å; D343-L346 WeakPolarHBondContact O-CD1 3.18Å; D343-L346 VanDerWaalsContact O-CG 3.23Å; D343-L346 WeakPolarHBondContact O-CG 3.12Å; D343-L346 PolarHBondContact O-N 3.43Å; D343-L346 PolarHBondContact OD2-N 3.29Å; D343-G347 PolarHBondContact OD2-N 3.27Å; D343-R486 PolarHBondContact O-NH2 2.93Å; D343-H498 PolarHBondContact O-CE1 3.02Å
344C91Very high77.9Confident10 Ų1061.6 Ų61.67%0.06834%0.342CS..THydrogen-bonded Turntrans49.144.2-172.4-52.80000113.5P341 D342 R486 G502P341-C344 WeakPolarHBondContact O-CA 3.42Å; P341-C344 PolarHBondContact O-N 3.31Å; D342-C344 VanDerWaalsContact C-N 3.28Å; C344-R486 WeakPolarHBondContact SG-CD 3.24Å; C344-G502 WeakPolarHBondContact O-CA 3.44Å
345W92.8Very high80.8Confident64 Ų6461.6 Ų61.624%0.24232%0.322CS..THydrogen-bonded Turntrans76.515.5175.6-45.7104.5000115.7P341 D343 G347 L348 L349 P519 L520P341-W345 VanDerWaalsContact CD-CE2 3.44Å; P341-W345 HydrophobicContact CG-CD2 3.84Å; P341-W345 HydrophobicContact CG-CE3 3.66Å; P341-W345 HydrophobicContact CG-CH2 3.63Å; P341-W345 HydrophobicContact CG-CZ2 3.83Å; P341-W345 HydrophobicContact CG-CZ3 3.55Å; D343-W345 VanDerWaalsContact C-N 3.29Å; D343-W345 PolarHBondContact O-N 3.4Å; D343-W345 PolarHBondContact OD1-N 3.25Å; W345-G347 VanDerWaalsContact C-N 3.35Å; W345-G347 PolarHBondContact O-N 2.78Å; W345-L348 HydrophobicContact CB-CB 4.28Å; W345-L348 HydrophobicContact CB-CD2 4.48Å; W345-L348 HydrophobicContact CD2-CD2 4.46Å; W345-L348 HydrophobicContact CE3-CB 4.32Å; W345-L348 HydrophobicContact CE3-CD2 3.84Å; W345-L348 PolarHBondContact O-N 3.22Å; W345-L349 WeakPolarHBondContact O-CB 3.29Å; W345-L349 PolarHBondContact O-N 3.45Å; W345-P519 HydrophobicContact CB-CB 3.93Å; W345-P519 HydrophobicContact CB-CG 3.72Å; W345-P519 HydrophobicContact CG-CG 4.49Å; W345-L520 HydrophobicContact CD2-CD2 3.8Å; W345-L520 HydrophobicContact CE3-CD2 4.16Å; W345-L520 HydrophobicContact CG-CD2 4.14Å; W345-L520 HydrophobicContact CG-CG 4.41Å; W345-L520 HydrophobicContact CZ2-CD2 4.19Å
346L94.7Very high83.4Confident1 Ų159.2 Ų59.21%0.00531%0.307CS..Hα-helixtrans-60.9-41175.1-74.8169.5000112.5D343 L349 K350 I561 L564 I565D343-L346 HydrophobicContact CB-CB 4.31Å; D343-L346 WeakPolarHBondContact O-CD1 3.18Å; D343-L346 VanDerWaalsContact O-CG 3.23Å; D343-L346 WeakPolarHBondContact O-CG 3.12Å; D343-L346 PolarHBondContact O-N 3.43Å; D343-L346 PolarHBondContact OD2-N 3.29Å; L346-L349 WeakPolarHBondContact O-CB 3.43Å; L346-L349 PolarHBondContact O-N 2.8Å; L346-K350 WeakPolarHBondContact O-CB 3.34Å; L346-K350 PolarHBondContact O-N 2.89Å; L346-I561 HydrophobicContact CB-CG2 4.32Å; L346-I561 HydrophobicContact CD2-CG2 4.26Å; L346-L564 HydrophobicContact CD1-CB 3.59Å; L346-L564 HydrophobicContact CD1-CD1 4.5Å; L346-L564 HydrophobicContact CD2-CB 4.25Å; L346-L564 HydrophobicContact CD2-CD1 3.92Å; L346-I565 HydrophobicContact CB-CD1 4.3Å; L346-I565 HydrophobicContact CB-CG1 3.85Å; L346-I565 HydrophobicContact CD1-CG1 4.42Å
347G93.4Very high85.9Confident30 Ų3055.8 Ų55.831%0.30929%0.289SS..Hα-helixtrans-64.1-40.9175.700000112.3D343 W345 L349 K350 H351D343-G347 PolarHBondContact OD2-N 3.27Å; W345-G347 VanDerWaalsContact C-N 3.35Å; W345-G347 PolarHBondContact O-N 2.78Å; G347-L349 VanDerWaalsContact C-N 3.34Å; G347-K350 PolarHBondContact O-N 2.89Å; G347-H351 WeakPolarHBondContact O-CB 3.4Å; G347-H351 PolarHBondContact O-N 3.21Å
348L93.7Very high87.9Confident43 Ų4352.5 Ų52.523%0.22528%0.276CS..Hα-helixtrans-61.8-44.2171.9175.564.4000110.8W345 H351 K352 P519 L520W345-L348 HydrophobicContact CB-CB 4.28Å; W345-L348 HydrophobicContact CB-CD2 4.48Å; W345-L348 HydrophobicContact CD2-CD2 4.46Å; W345-L348 HydrophobicContact CE3-CB 4.32Å; W345-L348 HydrophobicContact CE3-CD2 3.84Å; W345-L348 PolarHBondContact O-N 3.22Å; L348-H351 PolarHBondContact O-N 3.2Å; L348-K352 HydrophobicContact CD1-CD 4.47Å; L348-K352 HydrophobicContact CD1-CG 3.81Å; L348-K352 HydrophobicContact CG-CG 4.37Å; L348-K352 WeakPolarHBondContact O-CB 3.35Å; L348-K352 VanDerWaalsContact O-CG 3.28Å; L348-K352 WeakPolarHBondContact O-CG 3.5Å; L348-K352 PolarHBondContact O-N 3.03Å; L348-P519 HydrophobicContact CD2-CB 4.4Å; L348-L520 HydrophobicContact CD2-CD2 4.04Å
349L95.3Very high89.5Confident0 Ų059.5 Ų59.50%030%0.302CS..Hα-helixtrans-61.6-49.5178.6-172.154.6000110.9W345 L346 G347 H351 K352 L353 L504 L517 P519 F538 I561W345-L349 WeakPolarHBondContact O-CB 3.29Å; W345-L349 PolarHBondContact O-N 3.45Å; L346-L349 WeakPolarHBondContact O-CB 3.43Å; L346-L349 PolarHBondContact O-N 2.8Å; G347-L349 VanDerWaalsContact C-N 3.34Å; L349-H351 PolarHBondContact O-N 3.45Å; L349-K352 PolarHBondContact O-N 3.12Å; L349-L353 WeakPolarHBondContact O-CB 3.35Å; L349-L353 PolarHBondContact O-N 2.95Å; L349-L504 HydrophobicContact CD2-CB 3.83Å; L349-L504 HydrophobicContact CD2-CD2 3.86Å; L349-L517 HydrophobicContact CD1-CB 3.97Å; L349-L517 HydrophobicContact CD2-CB 3.89Å; L349-L517 HydrophobicContact CD2-CD1 4.11Å; L349-P519 HydrophobicContact CB-CB 4Å; L349-P519 HydrophobicContact CD1-CB 4.19Å; L349-F538 HydrophobicContact CD1-CE2 4.1Å; L349-F538 HydrophobicContact CD1-CZ 3.95Å; L349-I561 HydrophobicContact CB-CD1 4.34Å; L349-I561 HydrophobicContact CD2-CD1 3.73Å; L349-I561 HydrophobicContact CD2-CG1 4.21Å; L349-I561 HydrophobicContact CG-CD1 3.67Å
350K95.3Very high90.6Very high71 Ų7155 Ų5531%0.30928%0.275SS..Hα-helixtrans-53-52.6177-173.3179.5179.7175.90111L346 G347 G354 I561 E562 I565L346-K350 WeakPolarHBondContact O-CB 3.34Å; L346-K350 PolarHBondContact O-N 2.89Å; G347-K350 PolarHBondContact O-N 2.89Å; K350-G354 PolarHBondContact O-N 2.98Å; K350-I561 HydrophobicContact CB-CG2 3.79Å; K350-I561 HydrophobicContact CG-CG2 4.4Å; K350-E562 HydrophobicContact CD-CG 4.29Å; K350-E562 WeakPolarHBondContact CE-OE1 3.2Å; K350-E562 IonicContact NZ-OE1 3.63Å; K350-E562 PolarHBondContact NZ-OE1 3.27Å; K350-I565 HydrophobicContact CB-CD1 4.46Å; K350-I565 HydrophobicContact CD-CD1 4.07Å
351H94.8Very high91.4Very high103 Ų10357 Ų5748%0.47728%0.282SS..Hα-helixtrans-63.2-45.1-178.9171.670.4000112G347 L348 L349 R355G347-H351 WeakPolarHBondContact O-CB 3.4Å; G347-H351 PolarHBondContact O-N 3.21Å; L348-H351 PolarHBondContact O-N 3.2Å; L349-H351 PolarHBondContact O-N 3.45Å; H351-R355 WeakPolarHBondContact O-CG 3.27Å; H351-R355 PolarHBondContact O-N 2.62Å
352K94.8Very high91.6Very high46 Ų4657.7 Ų57.720%0.228%0.282CS..Hα-helixtrans-71.9-34.8-178.2-64.7-60.1172.8-155.80113L348 L349 F538L348-K352 HydrophobicContact CD1-CD 4.47Å; L348-K352 HydrophobicContact CD1-CG 3.81Å; L348-K352 HydrophobicContact CG-CG 4.37Å; L348-K352 WeakPolarHBondContact O-CB 3.35Å; L348-K352 VanDerWaalsContact O-CG 3.28Å; L348-K352 WeakPolarHBondContact O-CG 3.5Å; L348-K352 PolarHBondContact O-N 3.03Å; L349-K352 PolarHBondContact O-N 3.12Å; K352-F538 HydrophobicContact CB-CD2 3.87Å; K352-F538 HydrophobicContact CB-CE2 3.98Å
353L94.9Very high91.6Very high0 Ų055.1 Ų55.10%026%0.263CS..Hα-helixtrans-69.6-42.9174.4-177.458.5000111.3L349 R355 V356 L357 L517 L554 A557 Q558 I561L349-L353 WeakPolarHBondContact O-CB 3.35Å; L349-L353 PolarHBondContact O-N 2.95Å; L353-R355 VanDerWaalsContact C-N 3.25Å; L353-R355 PolarHBondContact O-N 3.24Å; L353-V356 WeakPolarHBondContact O-CA 3.35Å; L353-V356 WeakPolarHBondContact O-CB 3.46Å; L353-V356 PolarHBondContact O-N 2.74Å; L353-L357 HydrophobicContact CD1-CD1 4.27Å; L353-L357 HydrophobicContact CG-CD1 4.03Å; L353-L357 PolarHBondContact O-N 2.94Å; L353-L357 VanDerWaalsContact O-N 3.16Å; L353-L517 HydrophobicContact CD2-CD1 4.35Å; L353-L554 HydrophobicContact CD1-CB 4.04Å; L353-L554 HydrophobicContact CD1-CD1 4.15Å; L353-L554 HydrophobicContact CD1-CD2 3.86Å; L353-L554 HydrophobicContact CD1-CG 4.22Å; L353-A557 HydrophobicContact CD2-CB 4.13Å; L353-Q558 HydrophobicContact CD2-CB 4.06Å; L353-I561 HydrophobicContact CD2-CD1 3.85Å
354G94.7Very high91Very high11 Ų1159.6 Ų59.611%0.11329%0.288CS..Hα-helixtrans-53.2-44.1174.400000112K350 V356 L357 E358K350-G354 PolarHBondContact O-N 2.98Å; G354-V356 VanDerWaalsContact C-N 3.26Å; G354-V356 PolarHBondContact O-N 3.09Å; G354-L357 CarbonylContact O-C 3.23Å; G354-L357 WeakPolarHBondContact O-CA 3.48Å; G354-L357 PolarHBondContact O-N 3.36Å; G354-E358 WeakPolarHBondContact O-CG 3.38Å; G354-E358 PolarHBondContact O-N 2.65Å
355R94Very high89.8Confident96 Ų9664.6 Ų64.636%0.36231%0.313SS..Hα-helixtrans-62.9-25.1175-69.7-167.667.7-174.9-1.1115.3H351 L353 R542H351-R355 WeakPolarHBondContact O-CG 3.27Å; H351-R355 PolarHBondContact O-N 2.62Å; L353-R355 VanDerWaalsContact C-N 3.25Å; L353-R355 PolarHBondContact O-N 3.24Å; R355-R542 VanDerWaalsContact O-CD 3.23Å; R355-R542 WeakPolarHBondContact O-CD 3.46Å; R355-R542 PolarHBondContact O-NE 3.44Å
356V92.2Very high88.2Confident2 Ų265.4 Ų65.41%0.01233%0.329CS..Hα-helixtrans-76-32.6173.7178.20000110.7L353 G354 F538 L541 R542 L554L353-V356 WeakPolarHBondContact O-CA 3.35Å; L353-V356 WeakPolarHBondContact O-CB 3.46Å; L353-V356 PolarHBondContact O-N 2.74Å; G354-V356 VanDerWaalsContact C-N 3.26Å; G354-V356 PolarHBondContact O-N 3.09Å; V356-F538 HydrophobicContact CG2-CB 3.44Å; V356-F538 VanDerWaalsContact CG2-CB 3.44Å; V356-F538 HydrophobicContact CG2-CD1 4.11Å; V356-F538 HydrophobicContact CG2-CD2 4.34Å; V356-F538 HydrophobicContact CG2-CG 3.72Å; V356-L541 HydrophobicContact CG1-CB 4Å; V356-L541 HydrophobicContact CG1-CD1 4.34Å; V356-R542 HydrophobicContact CB-CG 4.32Å; V356-R542 HydrophobicContact CG1-CG 4.45Å; V356-R542 HydrophobicContact CG2-CG 4.14Å; V356-L554 HydrophobicContact CG1-CD1 4.43Å
357L94Very high86.2Confident25 Ų2568.6 Ų68.613%0.13135%0.352CS..Hα-helixtrans-92.6-2.5-177.4-60.7172.8000113.3L353 G354 E359 P360 L554 R555 Q558L353-L357 HydrophobicContact CD1-CD1 4.27Å; L353-L357 HydrophobicContact CG-CD1 4.03Å; L353-L357 PolarHBondContact O-N 2.94Å; L353-L357 VanDerWaalsContact O-N 3.16Å; G354-L357 CarbonylContact O-C 3.23Å; G354-L357 WeakPolarHBondContact O-CA 3.48Å; G354-L357 PolarHBondContact O-N 3.36Å; L357-E359 PolarHBondContact O-N 2.87Å; L357-P360 WeakPolarHBondContact O-CD 3.42Å; L357-L554 HydrophobicContact CD1-CB 4.4Å; L357-L554 HydrophobicContact CD2-CB 3.97Å; L357-R555 HydrophobicContact CD1-CG 4.23Å; L357-R555 HydrophobicContact CD2-CG 4.14Å; L357-Q558 HydrophobicContact CD1-CB 4.21Å; L357-Q558 VanDerWaalsContact CD1-OE1 3.3Å
358E91.1Very high84.4Confident115 Ų11570.5 Ų70.554%0.53736%0.358SS..SBendtrans-71.8103.2164.4-77.6164.4-161.500108.5G354G354-E358 WeakPolarHBondContact O-CG 3.38Å; G354-E358 PolarHBondContact O-N 2.65Å
359E84.6Confident82.5Confident191 Ų19176.2 Ų76.289%0.89338%0.381SS*.SBendtrans5360178.7-60.2177.617800114L357L357-E359 PolarHBondContact O-N 2.87Å
360P84.4Confident80.6Confident31 Ų3178.2 Ų78.220%0.20140%0.398CS..  trans-66.6136.5-177.129.8-36.4000111.7L357 E362 L546L357-P360 WeakPolarHBondContact O-CD 3.42Å; P360-E362 HydrophobicContact CB-CG 3.97Å; P360-E362 HydrophobicContact CG-CG 3.97Å; P360-E362 WeakPolarHBondContact CG-OE1 3.49Å; P360-E362 PolarHBondContact O-N 2.66Å; P360-E362 VanDerWaalsContact O-N 3.1Å; P360-L546 HydrophobicContact CB-CD2 3.78Å
361K86.7Confident79.2Confident117 Ų11775.7 Ų75.751%0.50939%0.387SS..  trans-76.193.9167-62.1178.3-172.9176.60108.6F363 E543 G545 L546K361-F363 HydrophobicContact CB-CZ 4.5Å; K361-E543 PolarHBondContact NZ-O 3.02Å; K361-G545 CarbonylContact O-C 3.48Å; K361-G545 WeakPolarHBondContact O-CA 3.3Å; K361-L546 PolarHBondContact O-N 3.16Å
362E87.5Confident77.8Confident58 Ų5876.2 Ų76.227%0.27139%0.39SS..EExtended strand (participates in β ladder)trans-96.2140-176.4-69.8179.5-11800112.6P360 L546 K548 A551 R555P360-E362 HydrophobicContact CB-CG 3.97Å; P360-E362 HydrophobicContact CG-CG 3.97Å; P360-E362 WeakPolarHBondContact CG-OE1 3.49Å; P360-E362 PolarHBondContact O-N 2.66Å; P360-E362 VanDerWaalsContact O-N 3.1Å; E362-L546 WeakPolarHBondContact CA-O 3.27Å; E362-K548 HydrophobicContact CB-CG 3.92Å; E362-A551 HydrophobicContact CG-CB 3.96Å; E362-A551 WeakPolarHBondContact OE2-CB 3.46Å; E362-R555 IonicContact OE1-CZ 3.25Å; E362-R555 IonicContact OE1-NH1 3.45Å; E362-R555 IonicContact OE1-NH2 3.83Å; E362-R555 PolarHBondContact OE1-NH2 3.45Å; E362-R555 IonicContact OE2-NH1 2.66Å; E362-R555 PolarHBondContact OE2-NH1 2.84Å; E362-R555 IonicContact OE2-NH2 3.1Å
363F84.9Confident76.4Confident103 Ų10380.4 Ų80.445%0.45241%0.41SS..EExtended strand (participates in β ladder)trans-123.9144.6174-51.7-77.6000110.7K361 F544 L546 S547 K548K361-F363 HydrophobicContact CB-CZ 4.5Å; F363-F544 WeakPolarHBondContact CE2-O 3.31Å; F363-L546 PolarHBondContact N-O 3.21Å; F363-L546 VanDerWaalsContact N-O 3.1Å; F363-S547 WeakPolarHBondContact O-CA 3.49Å; F363-K548 PolarHBondContact O-N 3.23Å
364D75.8Confident75.2Confident135 Ų13580.4 Ų80.472%0.72241%0.41SS*.SBendtrans-67.6-42.3177.6-80.3-58.8000112.3K548D364-K548 VanDerWaalsContact OD1-CD 3.24Å; D364-K548 WeakPolarHBondContact OD1-CD 3.34Å; D364-K548 WeakPolarHBondContact OD1-CE 3.38Å; D364-K548 IonicContact OD1-NZ 2.96Å; D364-K548 PolarHBondContact OD1-NZ 3.17Å; D364-K548 IonicContact OD2-NZ 3.99Å; D364-K548 PolarHBondContact OD2-NZ 3.13Å
365D66.5Low74.3Confident114 Ų11482.7 Ų82.761%0.6142%0.418SS*.SBendtrans-93.9137.8-175.1-151.1-1.7000110.3S367D365-S367 PolarHBondContact O-N 2.91Å
366S58.3Low73.7Confident81 Ų8179 Ų7957%0.56641%0.406SS*.  trans-72.823.3171.956.40000112.2
367S52.8Low72.9Confident69 Ų6979.9 Ų79.948%0.48341%0.412SS..  trans-62.7133.6-167.286.20000111.8D365 K369D365-S367 PolarHBondContact O-N 2.91Å; S367-K369 PolarHBondContact O-N 3.13Å
368P55.3Low72.3Confident69 Ų6979.8 Ų79.845%0.44841%0.414SS..Hα-helixtrans-89.9-20.3-134.5-16.734.3000114.1A370 M371 E372P368-A370 PolarHBondContact O-N 2.93Å; P368-M371 PolarHBondContact O-N 3.49Å; P368-E372 WeakPolarHBondContact O-CA 3.32Å; P368-E372 WeakPolarHBondContact O-CB 3.44Å; P368-E372 PolarHBondContact O-N 3.06Å
369K54Low72Confident163 Ų16374.3 Ų74.371%0.70939%0.389SS*.Hα-helixtrans-64.1-44.2-169.8-80.3-174.9176.9175.70113.8S367 E373S367-K369 PolarHBondContact O-N 3.13Å; K369-E373 WeakPolarHBondContact O-CB 3.47Å; K369-E373 VanDerWaalsContact O-CG 3.32Å; K369-E373 WeakPolarHBondContact O-CG 3.23Å; K369-E373 PolarHBondContact O-N 3.23Å
370A55.7Low72.1Confident42 Ų4266.7 Ų66.735%0.34736%0.356SS..Hα-helixtrans-69.2-37.3179.700000112P368 S374P368-A370 PolarHBondContact O-N 2.93Å; A370-S374 WeakPolarHBondContact O-CB 3.3Å; A370-S374 PolarHBondContact O-N 3.04Å; A370-S374 PolarHBondContact O-OG 3.33Å
371M65.6Low72.2Confident18 Ų1865.5 Ų65.59%0.08935%0.349CS..Hα-helixtrans-73.1-40.2175.7-67.3-167.480.100111.8P368 S374 E375 Y536 L550P368-M371 PolarHBondContact O-N 3.49Å; M371-S374 CarbonylContact O-C 3.46Å; M371-S374 WeakPolarHBondContact O-CA 3.38Å; M371-S374 VanDerWaalsContact O-CB 3.3Å; M371-S374 WeakPolarHBondContact O-CB 3.41Å; M371-S374 PolarHBondContact O-N 2.75Å; M371-E375 PolarHBondContact O-N 3.29Å; M371-Y536 HydrophobicContact CB-CE1 4.08Å; M371-Y536 HydrophobicContact CE-CE1 4.04Å; M371-Y536 HydrophobicContact CE-CE2 3.87Å; M371-Y536 VanDerWaalsContact CE-CZ 3.46Å; M371-Y536 WeakPolarHBondContact CE-OH 3.45Å; M371-Y536 VanDerWaalsContact O-CE1 3.31Å; M371-Y536 WeakPolarHBondContact O-CE1 3.27Å; M371-L550 HydrophobicContact CE-CD2 4.32Å
372E66.1Low72.2Confident114 Ų11462.3 Ų62.353%0.53334%0.337SS..Hα-helixtrans-61.1-44.4175.9-175.4179.8-171.900110.8P368 S374 E375P368-E372 WeakPolarHBondContact O-CA 3.32Å; P368-E372 WeakPolarHBondContact O-CB 3.44Å; P368-E372 PolarHBondContact O-N 3.06Å; E372-S374 PolarHBondContact O-N 3.24Å; E372-E375 WeakPolarHBondContact O-CB 3.35Å; E372-E375 PolarHBondContact O-N 2.97Å; E372-E375 VanDerWaalsContact O-N 3.15Å
373E65.4Low72.3Confident134 Ų13460 Ų6063%0.62633%0.326SS*.Hα-helixtrans-64.6-25.8172.5-73.5-175.6-176.500112.8K369K369-E373 WeakPolarHBondContact O-CB 3.47Å; K369-E373 VanDerWaalsContact O-CG 3.32Å; K369-E373 WeakPolarHBondContact O-CG 3.23Å; K369-E373 PolarHBondContact O-N 3.23Å
374S70.5Confident72.7Confident0 Ų057.8 Ų57.80%032%0.315CS..Hα-helixtrans-82.1-13.1177.1-63.80000113.7A370 M371 E372 V376 H540 F544A370-S374 WeakPolarHBondContact O-CB 3.3Å; A370-S374 PolarHBondContact O-N 3.04Å; A370-S374 PolarHBondContact O-OG 3.33Å; M371-S374 CarbonylContact O-C 3.46Å; M371-S374 WeakPolarHBondContact O-CA 3.38Å; M371-S374 VanDerWaalsContact O-CB 3.3Å; M371-S374 WeakPolarHBondContact O-CB 3.41Å; M371-S374 PolarHBondContact O-N 2.75Å; E372-S374 PolarHBondContact O-N 3.24Å; S374-V376 WeakPolarHBondContact O-CG2 3.41Å; S374-H540 PolarHBondContact O-ND1 2.96Å; S374-F544 WeakPolarHBondContact OG-CB 3.43Å; S374-F544 VanDerWaalsContact OG-CD2 3.26Å; S374-F544 WeakPolarHBondContact OG-CD2 3.4Å
375E75.7Confident73.6Confident59 Ų5951.4 Ų51.428%0.27628%0.28SS..BIsolated β-bridgetrans-66.8134.9-175.9-161.7-176150.300111.4M371 E372 P377 T535M371-E375 PolarHBondContact O-N 3.29Å; E372-E375 WeakPolarHBondContact O-CB 3.35Å; E372-E375 PolarHBondContact O-N 2.97Å; E372-E375 VanDerWaalsContact O-N 3.15Å; E375-P377 HydrophobicContact CG-CG 4.3Å; E375-T535 CarbonylContact C-O 3.55Å; E375-T535 WeakPolarHBondContact CA-O 3.47Å; E375-T535 WeakPolarHBondContact CG-O 3.46Å
376V80.8Confident74.8Confident18 Ų1846.7 Ų46.711%0.10926%0.256CS..  trans-131.683178-169.60000109.2S374 A378 A379 T535 R537 H540S374-V376 WeakPolarHBondContact O-CG2 3.41Å; V376-A378 HydrophobicContact CG1-CB 4.42Å; V376-A378 PolarHBondContact O-N 2.78Å; V376-A378 VanDerWaalsContact O-N 3.07Å; V376-A379 HydrophobicContact CB-CB 4.26Å; V376-A379 HydrophobicContact CG1-CB 4.06Å; V376-A379 WeakPolarHBondContact O-CB 2.97Å; V376-A379 PolarHBondContact O-N 2.69Å; V376-T535 PolarHBondContact N-O 3.4Å; V376-R537 HydrophobicContact CB-CG 3.95Å; V376-R537 HydrophobicContact CG1-CG 4.1Å; V376-R537 HydrophobicContact CG2-CB 4.18Å; V376-R537 HydrophobicContact CG2-CG 3.77Å; V376-H540 WeakPolarHBondContact CG2-CE1 3.19Å; V376-H540 VanDerWaalsContact CG2-ND1 3.3Å; V376-H540 WeakPolarHBondContact CG2-ND1 3.22Å
377P76.2Confident76.4Confident22 Ų2243.4 Ų43.414%0.14323%0.232CC..G310 helixtrans-57-28.7-179.8-28.437.4000113.4E375 A379 C380E375-P377 HydrophobicContact CG-CG 4.3Å; P377-A379 PolarHBondContact O-N 3.26Å; P377-C380 VanDerWaalsContact O-CB 3.25Å; P377-C380 WeakPolarHBondContact O-CB 3.5Å; P377-C380 PolarHBondContact O-N 3.44Å
378A79.5Confident78.4Confident22 Ų2240.5 Ų40.518%0.18221%0.21CC..G310 helixtrans-65.6-14.7175.800000113.9E112 R116 V376E112-A378 HydrophobicContact CG-CB 4.35Å; R116-A378 PolarHBondContact NH1-O 3.03Å; R116-A378 PolarHBondContact NH2-O 3.24Å; V376-A378 HydrophobicContact CG1-CB 4.42Å; V376-A378 PolarHBondContact O-N 2.78Å; V376-A378 VanDerWaalsContact O-N 3.07Å
379A85.9Confident80.2Confident1 Ų137.5 Ų37.51%0.00819%0.191CC..G310 helixtrans-94.6-0.3177.100000113.9V376 P377 M521 A523 T535 R537V376-A379 HydrophobicContact CB-CB 4.26Å; V376-A379 HydrophobicContact CG1-CB 4.06Å; V376-A379 WeakPolarHBondContact O-CB 2.97Å; V376-A379 PolarHBondContact O-N 2.69Å; P377-A379 PolarHBondContact O-N 3.26Å; A379-M521 HydrophobicContact CB-CB 4.44Å; A379-M521 HydrophobicContact CB-CE 4.11Å; A379-A523 HydrophobicContact CB-CB 3.66Å; A379-T535 HydrophobicContact CB-CG2 3.89Å; A379-R537 HydrophobicContact CB-CG 4.21Å
380C85.9Confident82.1Confident30 Ų3030.8 Ų30.820%0.20316%0.162CC..  trans-55.1139179.7178.30000111R116 P377 F533R116-C380 PolarHBondContact NH2-O 3.41Å; P377-C380 VanDerWaalsContact O-CB 3.25Å; P377-C380 WeakPolarHBondContact O-CB 3.5Å; P377-C380 PolarHBondContact O-N 3.44Å; C380-F533 VanDerWaalsContact SG-CE1 3.5Å
381P86.9Confident83.9Confident7 Ų732.4 Ų32.45%0.04516%0.16CC..  trans-55.4149.8171.821.8-33.1000111.2W384 I516 T525 F533P381-W384 HydrophobicContact CB-CE3 3.87Å; P381-W384 HydrophobicContact CB-CZ3 4.41Å; P381-W384 HydrophobicContact CG-CD2 4.4Å; P381-W384 HydrophobicContact CG-CE3 3.54Å; P381-W384 HydrophobicContact CG-CZ3 3.93Å; P381-W384 VanDerWaalsContact O-CZ3 3.29Å; P381-W384 WeakPolarHBondContact O-CZ3 3.43Å; P381-I516 HydrophobicContact CB-CG2 4.07Å; P381-I516 HydrophobicContact CG-CB 4.4Å; P381-I516 HydrophobicContact CG-CD1 4.31Å; P381-I516 HydrophobicContact CG-CG2 3.89Å; P381-T525 WeakPolarHBondContact CD-OG1 3.33Å; P381-F533 HydrophobicContact CG-CZ 4.48Å
382I86.3Confident85.2Confident50 Ų5033.6 Ų33.626%0.25617%0.17SC..SBendtrans-87.2-35.1172.4-55.4-60.3000110.5L290L290-I382 HydrophobicContact CB-CD1 4.35Å; L290-I382 HydrophobicContact CB-CG1 4.13Å; L290-I382 HydrophobicContact CB-CG2 4.41Å; L290-I382 HydrophobicContact CD1-CD1 4.41Å
383Y89.9Confident86.5Confident9 Ų933.4 Ų33.44%0.03517%0.173CC..  trans-131.1135.9178.3-68-85000110.3S288 S291 L401 D403 L482 P483S288-Y383 VanDerWaalsContact CA-OH 3.29Å; S288-Y383 WeakPolarHBondContact CA-OH 3.17Å; S288-Y383 WeakPolarHBondContact CB-OH 3.3Å; S288-Y383 PolarHBondContact N-OH 2.87Å; S291-Y383 VanDerWaalsContact OG-CD2 3.25Å; S291-Y383 WeakPolarHBondContact OG-CD2 3.48Å; S291-Y383 WeakPolarHBondContact OG-CE2 3.29Å; Y383-L401 HydrophobicContact CD1-CB 4.44Å; Y383-L401 HydrophobicContact CD1-CD1 3.96Å; Y383-D403 HydrophobicContact CE1-CB 4.15Å; Y383-D403 WeakPolarHBondContact CE1-OD2 3.37Å; Y383-L482 HydrophobicContact CE1-CD2 3.83Å; Y383-P483 HydrophobicContact CD1-CG 4.12Å; Y383-P483 HydrophobicContact CD2-CG 3.66Å; Y383-P483 HydrophobicContact CE2-CG 4.4Å; Y383-P483 HydrophobicContact CG-CG 3.5Å
384W92.9Very high87.8Confident57 Ų5732.6 Ų32.622%0.21617%0.167CC..  trans-146.9162.9167.461.688.6000109.2P381 S386 L401 C402 I516 F533P381-W384 HydrophobicContact CB-CE3 3.87Å; P381-W384 HydrophobicContact CB-CZ3 4.41Å; P381-W384 HydrophobicContact CG-CD2 4.4Å; P381-W384 HydrophobicContact CG-CE3 3.54Å; P381-W384 HydrophobicContact CG-CZ3 3.93Å; P381-W384 VanDerWaalsContact O-CZ3 3.29Å; P381-W384 WeakPolarHBondContact O-CZ3 3.43Å; W384-S386 PolarHBondContact O-N 2.65Å; W384-L401 CarbonylContact O-C 3.53Å; W384-L401 WeakPolarHBondContact O-CA 3.38Å; W384-C402 HydrophobicContact CD2-CB 3.68Å; W384-C402 HydrophobicContact CE3-CB 4.25Å; W384-C402 HydrophobicContact CG-CB 4.04Å; W384-C402 HydrophobicContact CH2-CB 4.36Å; W384-C402 HydrophobicContact CZ2-CB 3.77Å; W384-C402 PolarHBondContact N-SG 3.07Å; W384-C402 PolarHBondContact O-N 3.1Å; W384-I516 HydrophobicContact CB-CD1 3.67Å; W384-I516 HydrophobicContact CB-CG1 4.3Å; W384-I516 HydrophobicContact CB-CG2 4.33Å; W384-I516 HydrophobicContact CD2-CD1 4.15Å; W384-I516 HydrophobicContact CG-CD1 3.69Å; W384-F533 AromaticContact CH2-CE2 3.92Å; W384-F533 HydrophobicContact CH2-CE2 3.92Å; W384-F533 AromaticContact CH2-CZ 3.76Å; W384-F533 HydrophobicContact CH2-CZ 3.76Å; W384-F533 AromaticContact CZ2-CE2 3.69Å; W384-F533 HydrophobicContact CZ2-CE2 3.69Å; W384-F533 HydrophobicContact CZ2-CZ 4.03Å; W384-F533 HydrophobicContact CZ3-CE2 4.48Å; W384-F533 HydrophobicContact CZ3-CZ 4.06Å
385V94.7Very high89Confident1 Ų136.2 Ų36.21%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-78.8112.7176.61780000108.8K387 W388 Y399 Q400 L401 L497 L499 Q505V385-K387 WeakPolarHBondContact CG1-O 3.34Å; V385-W388 HydrophobicContact CG1-CB 4.15Å; V385-Y399 HydrophobicContact CG2-CD2 4.26Å; V385-Q400 CarbonylContact C-O 3.55Å; V385-Q400 WeakPolarHBondContact CA-O 2.97Å; V385-L401 HydrophobicContact CG2-CD2 4.1Å; V385-L497 HydrophobicContact CB-CD1 3.94Å; V385-L497 HydrophobicContact CG1-CD1 4.04Å; V385-L497 HydrophobicContact CG2-CD1 4.13Å; V385-L499 HydrophobicContact CG2-CD2 4.25Å; V385-Q505 PolarHBondContact O-NE2 3.31Å; V385-Q505 PolarHBondContact O-OE1 2.89Å
386S91.8Very high89.9Confident15 Ų1533.4 Ų33.411%0.10517%0.169CC..EExtended strand (participates in β ladder)trans-80.3-39.3176.958.30000111.5W384 Q400 L401W384-S386 PolarHBondContact O-N 2.65Å; S386-Q400 PolarHBondContact N-O 2.86Å; S386-Q400 PolarHBondContact OG-O 2.82Å; S386-Q400 VanDerWaalsContact OG-O 3.1Å; S386-L401 PolarHBondContact OG-O 2.66Å
387K92.1Very high90.7Very high12 Ų1232.6 Ų32.65%0.05216%0.163CC..EExtended strand (participates in β ladder)trans-138.9152.8179.5-49-168-166.2-166.30111.4V385 Y399 Q400 M460 L464 L465V385-K387 WeakPolarHBondContact CG1-O 3.34Å; K387-Y399 CarbonylContact O-C 3.47Å; K387-Y399 VanDerWaalsContact O-CA 3.3Å; K387-Y399 WeakPolarHBondContact O-CA 3.23Å; K387-Q400 HydrophobicContact CB-CB 4.01Å; K387-Q400 VanDerWaalsContact CD-OE1 3.25Å; K387-Q400 HydrophobicContact CG-CB 4.41Å; K387-Q400 PolarHBondContact N-O 2.78Å; K387-Q400 PolarHBondContact O-N 2.83Å; K387-M460 HydrophobicContact CB-SD 4.2Å; K387-M460 PolarHBondContact NZ-O 3.32Å; K387-L464 HydrophobicContact CB-CD1 4.05Å; K387-L464 HydrophobicContact CD-CB 3.76Å; K387-L464 HydrophobicContact CD-CD1 4.07Å; K387-L464 PolarHBondContact NZ-O 2.92Å; K387-L465 WeakPolarHBondContact CE-O 3.37Å; K387-L465 PolarHBondContact NZ-O 2.88Å
388W95Very high91.7Very high8 Ų831.5 Ų31.53%0.0316%0.157CC..EExtended strand (participates in β ladder)trans-150.4154.1174.259.7-89.3000111V385 D390 L397 G398 I495 N507 F509 V593 A595V385-W388 HydrophobicContact CG1-CB 4.15Å; W388-D390 HydrophobicContact CE3-CB 4.17Å; W388-D390 HydrophobicContact CZ3-CB 3.82Å; W388-L397 HydrophobicContact CE3-CD1 4.14Å; W388-G398 CarbonylContact C-O 3.55Å; W388-G398 VanDerWaalsContact CA-O 3.27Å; W388-G398 WeakPolarHBondContact CA-O 3.46Å; W388-I495 HydrophobicContact CD2-CD1 3.83Å; W388-I495 HydrophobicContact CD2-CG2 4.47Å; W388-I495 HydrophobicContact CE3-CD1 3.76Å; W388-I495 HydrophobicContact CG-CD1 4.44Å; W388-I495 HydrophobicContact CH2-CD1 4.29Å; W388-I495 HydrophobicContact CH2-CG2 4.46Å; W388-I495 HydrophobicContact CZ2-CB 4.43Å; W388-I495 HydrophobicContact CZ2-CD1 4.36Å; W388-I495 HydrophobicContact CZ2-CG2 3.73Å; W388-I495 HydrophobicContact CZ3-CD1 4Å; W388-N507 PolarHBondContact NE1-ND2 3.25Å; W388-F509 AromaticContact CH2-CE1 3.95Å; W388-F509 HydrophobicContact CH2-CE1 3.95Å; W388-F509 AromaticContact CZ2-CE1 3.81Å; W388-F509 HydrophobicContact CZ2-CE1 3.81Å; W388-V593 HydrophobicContact CH2-CG1 4.18Å; W388-A595 HydrophobicContact CG-CB 4.43Å; W388-A595 PolarHBondContact O-N 3.34Å; W388-A595 VanDerWaalsContact O-N 3.14Å
389V93.9Very high92.6Very high6 Ų630.5 Ų30.54%0.03615%0.148CC..EExtended strand (participates in β ladder)trans-135.4118.4177.7-178.10000107.8G398 F456 Y459 M460 L464V389-G398 PolarHBondContact N-O 2.92Å; V389-G398 PolarHBondContact O-N 2.6Å; V389-F456 HydrophobicContact CB-CD1 4.1Å; V389-F456 HydrophobicContact CB-CE1 4.21Å; V389-F456 HydrophobicContact CG1-CD1 4.21Å; V389-F456 HydrophobicContact CG1-CE1 4.08Å; V389-Y459 HydrophobicContact CB-CD1 4.46Å; V389-Y459 HydrophobicContact CB-CE1 4.46Å; V389-Y459 HydrophobicContact CG1-CD1 4.04Å; V389-Y459 HydrophobicContact CG1-CE1 3.86Å; V389-Y459 HydrophobicContact CG2-CD1 3.58Å; V389-Y459 HydrophobicContact CG2-CE1 3.69Å; V389-M460 HydrophobicContact CG2-CG 3.41Å; V389-M460 VanDerWaalsContact CG2-CG 3.41Å; V389-M460 HydrophobicContact CG2-SD 4.17Å; V389-L464 HydrophobicContact CG2-CD1 4.08Å
390D93.4Very high93Very high21 Ų2130.8 Ų30.811%0.11215%0.149CC..EExtended strand (participates in β ladder)trans-92.8112.8177.2-178.17000110.2W388 S392 L397 R490 V593W388-D390 HydrophobicContact CE3-CB 4.17Å; W388-D390 HydrophobicContact CZ3-CB 3.82Å; D390-S392 VanDerWaalsContact OD1-CB 3.26Å; D390-S392 WeakPolarHBondContact OD1-CB 3.38Å; D390-S392 PolarHBondContact OD1-N 3.35Å; D390-S392 VanDerWaalsContact OD1-N 3.08Å; D390-S392 PolarHBondContact OD1-OG 3.48Å; D390-L397 HydrophobicContact CB-CD1 3.91Å; D390-R490 WeakPolarHBondContact OD2-CD 3.36Å; D390-R490 IonicContact OD2-CZ 3.55Å; D390-R490 IonicContact OD2-NE 3.57Å; D390-R490 IonicContact OD2-NH1 2.64Å; D390-R490 PolarHBondContact OD2-NH1 3.33Å; D390-V593 PolarHBondContact N-O 3.16Å; D390-V593 VanDerWaalsContact N-O 3.09Å
391Y93.6Very high93.4Very high76 Ų7629.4 Ų29.430%0.29814%0.14SC..EExtended strand (participates in β ladder)trans-134.739.5172.7-152.6-152.7000110D393 K394 Y395 G396 P592Y391-D393 VanDerWaalsContact C-N 3.26Å; Y391-D393 VanDerWaalsContact C-OD1 3.23Å; Y391-D393 WeakPolarHBondContact CD2-OD1 3.22Å; Y391-D393 PolarHBondContact O-N 2.96Å; Y391-K394 HydrophobicContact CE1-CB 4.47Å; Y391-K394 HydrophobicContact CE1-CD 4.32Å; Y391-K394 PolarHBondContact O-N 3.26Å; Y391-Y395 AromaticContact CD1-CD2 3.52Å; Y391-Y395 HydrophobicContact CD1-CD2 3.52Å; Y391-Y395 HydrophobicContact CD1-CE2 4.07Å; Y391-Y395 AromaticContact CE1-CD2 3.62Å; Y391-Y395 HydrophobicContact CE1-CD2 3.62Å; Y391-Y395 AromaticContact CE1-CE2 3.66Å; Y391-Y395 HydrophobicContact CE1-CE2 3.66Å; Y391-Y395 PolarHBondContact O-N 3.39Å; Y391-G396 CarbonylContact C-O 3.59Å; Y391-G396 WeakPolarHBondContact CA-O 3.46Å; Y391-G396 PolarHBondContact N-O 3.49Å; Y391-G396 PolarHBondContact O-N 3.04Å; Y391-P592 HydrophobicContact CD2-CB 4.2Å; Y391-P592 HydrophobicContact CE2-CB 4.5Å
392S92.2Very high93.5Very high43 Ų4329.5 Ų29.530%0.30114%0.14SC..THydrogen-bonded Turntrans-69.9-17.6-177.456.90000114.2D390 K394 G396 N411D390-S392 VanDerWaalsContact OD1-CB 3.26Å; D390-S392 WeakPolarHBondContact OD1-CB 3.38Å; D390-S392 PolarHBondContact OD1-N 3.35Å; D390-S392 VanDerWaalsContact OD1-N 3.08Å; D390-S392 PolarHBondContact OD1-OG 3.48Å; S392-K394 PolarHBondContact O-N 2.97Å; S392-G396 PolarHBondContact N-O 3.25Å; S392-N411 PolarHBondContact O-ND2 3.12Å; S392-N411 PolarHBondContact O-OD1 2.88Å
393D93.3Very high93.5Very high111 Ų11128.2 Ų28.259%0.59413%0.134SC*.THydrogen-bonded Turntrans-60.1-28.7168.563-30.6000112.4Y391Y391-D393 VanDerWaalsContact C-N 3.26Å; Y391-D393 VanDerWaalsContact C-OD1 3.23Å; Y391-D393 WeakPolarHBondContact CD2-OD1 3.22Å; Y391-D393 PolarHBondContact O-N 2.96Å
394K94.1Very high93.5Very high117 Ų11730.9 Ų30.951%0.50915%0.149SC..THydrogen-bonded Turntrans-121.5-49.1-176.4-161.7173-174.8-167.10115.2Y391 S392Y391-K394 HydrophobicContact CE1-CB 4.47Å; Y391-K394 HydrophobicContact CE1-CD 4.32Å; Y391-K394 PolarHBondContact O-N 3.26Å; S392-K394 PolarHBondContact O-N 2.97Å
395Y94.5Very high93.4Very high76 Ų7628.2 Ų28.230%0.29814%0.139SC..THydrogen-bonded Turntrans-127.7-39.1-168.4-59-58.8000114.3Y391 F410 N411 L452Y391-Y395 AromaticContact CD1-CD2 3.52Å; Y391-Y395 HydrophobicContact CD1-CD2 3.52Å; Y391-Y395 HydrophobicContact CD1-CE2 4.07Å; Y391-Y395 AromaticContact CE1-CD2 3.62Å; Y391-Y395 HydrophobicContact CE1-CD2 3.62Å; Y391-Y395 AromaticContact CE1-CE2 3.66Å; Y391-Y395 HydrophobicContact CE1-CE2 3.66Å; Y391-Y395 PolarHBondContact O-N 3.39Å; Y395-F410 WeakPolarHBondContact O-CA 3.38Å; Y395-N411 PolarHBondContact O-N 3.3Å; Y395-L452 HydrophobicContact CD1-CD1 3.66Å; Y395-L452 HydrophobicContact CD1-CD2 3.83Å; Y395-L452 HydrophobicContact CD1-CG 4.43Å; Y395-L452 HydrophobicContact CD2-CD2 3.83Å; Y395-L452 HydrophobicContact CE1-CD1 4.16Å; Y395-L452 HydrophobicContact CE1-CD2 3.87Å; Y395-L452 HydrophobicContact CE2-CD2 3.85Å; Y395-L452 HydrophobicContact CG-CD1 4.07Å; Y395-L452 HydrophobicContact CG-CD2 3.82Å
396G95.5Very high93.5Very high0 Ų028.7 Ų28.70%014%0.141CC..EExtended strand (participates in β ladder)trans140.1-160.9-175.500000113.4Y391 S392 V409 N411Y391-G396 CarbonylContact C-O 3.59Å; Y391-G396 WeakPolarHBondContact CA-O 3.46Å; Y391-G396 PolarHBondContact N-O 3.49Å; Y391-G396 PolarHBondContact O-N 3.04Å; S392-G396 PolarHBondContact N-O 3.25Å; G396-V409 CarbonylContact C-O 3.55Å; G396-V409 VanDerWaalsContact CA-O 3.22Å; G396-V409 WeakPolarHBondContact CA-O 3.4Å; G396-N411 VanDerWaalsContact CA-OD1 3.31Å; G396-N411 WeakPolarHBondContact CA-OD1 3.42Å; G396-N411 PolarHBondContact N-OD1 3.16Å
397L97.5Very high93.7Very high0 Ų028 Ų280%014%0.136CC..EExtended strand (participates in β ladder)trans-106.9119.3179.8-174.187.2000110.4W388 D390 V408 V409 L485 W488 I495 L497W388-L397 HydrophobicContact CE3-CD1 4.14Å; D390-L397 HydrophobicContact CB-CD1 3.91Å; L397-V408 WeakPolarHBondContact O-CA 3.34Å; L397-V409 PolarHBondContact N-O 3.13Å; L397-V409 PolarHBondContact O-N 2.9Å; L397-L485 HydrophobicContact CD2-CD2 3.26Å; L397-W488 HydrophobicContact CB-CD2 4.21Å; L397-W488 HydrophobicContact CB-CH2 4.22Å; L397-W488 HydrophobicContact CB-CZ2 3.7Å; L397-W488 HydrophobicContact CD1-CD2 4.42Å; L397-W488 HydrophobicContact CD1-CE3 4.12Å; L397-W488 HydrophobicContact CD1-CH2 4.15Å; L397-W488 HydrophobicContact CD1-CZ2 4.45Å; L397-W488 HydrophobicContact CD1-CZ3 3.97Å; L397-W488 HydrophobicContact CD2-CB 4.41Å; L397-W488 HydrophobicContact CD2-CD2 3.79Å; L397-W488 HydrophobicContact CD2-CE3 4.14Å; L397-W488 HydrophobicContact CD2-CG 3.88Å; L397-W488 HydrophobicContact CG-CD2 4.37Å; L397-I495 HydrophobicContact CD1-CD1 4.18Å; L397-L497 HydrophobicContact CD2-CD2 3.94Å
398G97.4Very high94Very high0 Ų027.4 Ų27.40%013%0.133CC..EExtended strand (participates in β ladder)trans-89.1141.8167.400000111.1W388 V389 G407W388-G398 CarbonylContact C-O 3.55Å; W388-G398 VanDerWaalsContact CA-O 3.27Å; W388-G398 WeakPolarHBondContact CA-O 3.46Å; V389-G398 PolarHBondContact N-O 2.92Å; V389-G398 PolarHBondContact O-N 2.6Å; G398-G407 CarbonylContact C-O 3.57Å; G398-G407 WeakPolarHBondContact CA-O 3.5Å
399Y97.1Very high94.1Very high0 Ų027.4 Ų27.40%013%0.134CC..EExtended strand (participates in β ladder)trans-145.5156178.263.4-83.9000112.3V385 K387 L401 Y406 G407 V409 L485V385-Y399 HydrophobicContact CG2-CD2 4.26Å; K387-Y399 CarbonylContact O-C 3.47Å; K387-Y399 VanDerWaalsContact O-CA 3.3Å; K387-Y399 WeakPolarHBondContact O-CA 3.23Å; Y399-L401 HydrophobicContact CD2-CD2 3.99Å; Y399-L401 HydrophobicContact CD2-CG 4.36Å; Y399-L401 HydrophobicContact CE2-CD2 3.96Å; Y399-L401 HydrophobicContact CE2-CG 4.22Å; Y399-Y406 WeakPolarHBondContact O-CA 3.33Å; Y399-G407 WeakPolarHBondContact CD1-O 3.12Å; Y399-G407 WeakPolarHBondContact CE1-O 3.33Å; Y399-G407 PolarHBondContact N-O 3.36Å; Y399-G407 PolarHBondContact O-N 3.5Å; Y399-V409 HydrophobicContact CE1-CG2 3.95Å; Y399-L485 HydrophobicContact CD1-CB 4.33Å; Y399-L485 HydrophobicContact CD1-CD2 4.21Å; Y399-L485 HydrophobicContact CE1-CB 3.77Å; Y399-L485 HydrophobicContact CE1-CD2 4.37Å; Y399-L485 HydrophobicContact CE2-CB 4.41Å; Y399-L485 PolarHBondContact OH-N 2.69Å
400Q95.3Very high94.3Very high7 Ų727.7 Ų27.73%0.03314%0.135CC..EExtended strand (participates in β ladder)trans-118.1132.1171.7-166.9-175.417.100108.2V385 S386 K387 N404 S405 Y406 M460V385-Q400 CarbonylContact C-O 3.55Å; V385-Q400 WeakPolarHBondContact CA-O 2.97Å; S386-Q400 PolarHBondContact N-O 2.86Å; S386-Q400 PolarHBondContact OG-O 2.82Å; S386-Q400 VanDerWaalsContact OG-O 3.1Å; K387-Q400 HydrophobicContact CB-CB 4.01Å; K387-Q400 VanDerWaalsContact CD-OE1 3.25Å; K387-Q400 HydrophobicContact CG-CB 4.41Å; K387-Q400 PolarHBondContact N-O 2.78Å; K387-Q400 PolarHBondContact O-N 2.83Å; Q400-N404 PolarHBondContact NE2-OD1 2.97Å; Q400-N404 VanDerWaalsContact NE2-OD1 3.15Å; Q400-S405 CarbonylContact C-O 3.59Å; Q400-S405 WeakPolarHBondContact CA-O 3.24Å; Q400-S405 WeakPolarHBondContact CG-O 3.44Å; Q400-Y406 HydrophobicContact CB-CD1 4.09Å; Q400-Y406 HydrophobicContact CB-CE1 4.15Å; Q400-Y406 HydrophobicContact CG-CD1 3.9Å; Q400-Y406 HydrophobicContact CG-CE1 3.66Å; Q400-Y406 PolarHBondContact NE2-OH 2.9Å; Q400-M460 HydrophobicContact CB-SD 4.07Å
401L93.3Very high94.4Very high1 Ų130.5 Ų30.51%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-82.7162.6171.1-61.6-176.4000110.5Y383 W384 V385 S386 Y399 D403 N404 S405 P483 L499Y383-L401 HydrophobicContact CD1-CB 4.44Å; Y383-L401 HydrophobicContact CD1-CD1 3.96Å; W384-L401 CarbonylContact O-C 3.53Å; W384-L401 WeakPolarHBondContact O-CA 3.38Å; V385-L401 HydrophobicContact CG2-CD2 4.1Å; S386-L401 PolarHBondContact OG-O 2.66Å; Y399-L401 HydrophobicContact CD2-CD2 3.99Å; Y399-L401 HydrophobicContact CD2-CG 4.36Å; Y399-L401 HydrophobicContact CE2-CD2 3.96Å; Y399-L401 HydrophobicContact CE2-CG 4.22Å; L401-D403 WeakPolarHBondContact CB-OD1 3.48Å; L401-D403 PolarHBondContact O-N 3.14Å; L401-D403 VanDerWaalsContact O-N 3.14Å; L401-N404 PolarHBondContact O-N 2.98Å; L401-S405 WeakPolarHBondContact CB-OG 3.28Å; L401-S405 WeakPolarHBondContact CD1-OG 3.43Å; L401-S405 PolarHBondContact N-O 2.82Å; L401-P483 HydrophobicContact CD1-CG 4.3Å; L401-L499 HydrophobicContact CD2-CD2 4.43Å
402C89.6Confident94.5Very high9 Ų930.8 Ų30.86%0.06116%0.157CC..THydrogen-bonded Turntrans-63.2-16.3-178.763.30000114.8W384 N404W384-C402 HydrophobicContact CD2-CB 3.68Å; W384-C402 HydrophobicContact CE3-CB 4.25Å; W384-C402 HydrophobicContact CG-CB 4.04Å; W384-C402 HydrophobicContact CH2-CB 4.36Å; W384-C402 HydrophobicContact CZ2-CB 3.77Å; W384-C402 PolarHBondContact N-SG 3.07Å; W384-C402 PolarHBondContact O-N 3.1Å; C402-N404 VanDerWaalsContact C-N 3.31Å
403D86.3Confident94.6Very high23 Ų2330.6 Ų30.612%0.12315%0.154CC..THydrogen-bonded Turntrans-87.41.9173.574.3-27.4000113.6Y383 L401 S405 T420Y383-D403 HydrophobicContact CE1-CB 4.15Å; Y383-D403 WeakPolarHBondContact CE1-OD2 3.37Å; L401-D403 WeakPolarHBondContact CB-OD1 3.48Å; L401-D403 PolarHBondContact O-N 3.14Å; L401-D403 VanDerWaalsContact O-N 3.14Å; D403-S405 VanDerWaalsContact C-N 3.35Å; D403-S405 VanDerWaalsContact OD1-CB 3.32Å; D403-S405 WeakPolarHBondContact OD1-CB 3.23Å; D403-S405 PolarHBondContact OD1-N 3.01Å; D403-S405 PolarHBondContact OD1-OG 3.48Å; D403-S405 PolarHBondContact OD2-OG 2.87Å; D403-T420 HydrophobicContact CB-CG2 4.25Å; D403-T420 WeakPolarHBondContact O-CG2 3.2Å; D403-T420 WeakPolarHBondContact OD2-CG2 3.49Å
404N89Confident94.8Very high66 Ų6625.4 Ų25.435%0.35313%0.126SC..SBendtrans75.211.8-173.4-53-70.4000115.6Q400 L401 C402 Y406Q400-N404 PolarHBondContact NE2-OD1 2.97Å; Q400-N404 VanDerWaalsContact NE2-OD1 3.15Å; L401-N404 PolarHBondContact O-N 2.98Å; C402-N404 VanDerWaalsContact C-N 3.31Å; N404-Y406 WeakPolarHBondContact O-CD2 3.37Å; N404-Y406 WeakPolarHBondContact O-CE2 3.47Å
405S92.2Very high95Very high0 Ų021.5 Ų21.50%011%0.108CC..  trans-71.7156.5163.762.30000111.3Q400 L401 D403 L418 L482Q400-S405 CarbonylContact C-O 3.59Å; Q400-S405 WeakPolarHBondContact CA-O 3.24Å; Q400-S405 WeakPolarHBondContact CG-O 3.44Å; L401-S405 WeakPolarHBondContact CB-OG 3.28Å; L401-S405 WeakPolarHBondContact CD1-OG 3.43Å; L401-S405 PolarHBondContact N-O 2.82Å; D403-S405 VanDerWaalsContact C-N 3.35Å; D403-S405 VanDerWaalsContact OD1-CB 3.32Å; D403-S405 WeakPolarHBondContact OD1-CB 3.23Å; D403-S405 PolarHBondContact OD1-N 3.01Å; D403-S405 PolarHBondContact OD1-OG 3.48Å; D403-S405 PolarHBondContact OD2-OG 2.87Å; S405-L418 WeakPolarHBondContact CA-O 3.35Å; S405-L418 WeakPolarHBondContact CB-O 3.39Å; S405-L482 VanDerWaalsContact CB-CD1 3.45Å
406Y95.5Very high95.1Very high11 Ų1117.9 Ų17.94%0.0439%0.094CC..EExtended strand (participates in β ladder)trans-120.2150.6-177-58.7-90.6000110.6Y399 Q400 N404 L417 L418 K457 M460Y399-Y406 WeakPolarHBondContact O-CA 3.33Å; Q400-Y406 HydrophobicContact CB-CD1 4.09Å; Q400-Y406 HydrophobicContact CB-CE1 4.15Å; Q400-Y406 HydrophobicContact CG-CD1 3.9Å; Q400-Y406 HydrophobicContact CG-CE1 3.66Å; Q400-Y406 PolarHBondContact NE2-OH 2.9Å; N404-Y406 WeakPolarHBondContact O-CD2 3.37Å; N404-Y406 WeakPolarHBondContact O-CE2 3.47Å; Y406-L417 CarbonylContact O-C 3.55Å; Y406-L417 VanDerWaalsContact O-CA 3.22Å; Y406-L417 WeakPolarHBondContact O-CA 3.29Å; Y406-L418 HydrophobicContact CD2-CD2 4.31Å; Y406-L418 PolarHBondContact N-O 3.4Å; Y406-L418 PolarHBondContact O-N 2.86Å; Y406-K457 HydrophobicContact CD1-CB 4.21Å; Y406-K457 HydrophobicContact CD1-CG 4.09Å; Y406-K457 HydrophobicContact CD2-CD 4.29Å; Y406-K457 HydrophobicContact CD2-CG 4.15Å; Y406-K457 HydrophobicContact CE1-CB 4.32Å; Y406-K457 HydrophobicContact CE1-CG 3.81Å; Y406-K457 HydrophobicContact CE2-CD 4.08Å; Y406-K457 HydrophobicContact CE2-CG 3.88Å; Y406-K457 HydrophobicContact CG-CB 4.43Å; Y406-K457 HydrophobicContact CG-CG 4.26Å; Y406-M460 HydrophobicContact CD1-CE 3.84Å; Y406-M460 HydrophobicContact CE1-CE 4.42Å
407G97.2Very high95.2Very high0 Ų017.9 Ų17.90%09%0.094CC..EExtended strand (participates in β ladder)trans-145.6155.2171.300000112.4G398 Y399 L416G398-G407 CarbonylContact C-O 3.57Å; G398-G407 WeakPolarHBondContact CA-O 3.5Å; Y399-G407 WeakPolarHBondContact CD1-O 3.12Å; Y399-G407 WeakPolarHBondContact CE1-O 3.33Å; Y399-G407 PolarHBondContact N-O 3.36Å; Y399-G407 PolarHBondContact O-N 3.5Å; G407-L416 CarbonylContact C-O 3.56Å; G407-L416 VanDerWaalsContact CA-O 3.31Å; G407-L416 WeakPolarHBondContact CA-O 3.17Å
408V98.1Very high95Very high0 Ų018 Ų180%010%0.095CC..EExtended strand (participates in β ladder)trans-128.6130.5170.1-178.90000108.3L397 F410 R415 L416 L453 F456L397-V408 WeakPolarHBondContact O-CA 3.34Å; V408-F410 HydrophobicContact CB-CE1 4.33Å; V408-F410 HydrophobicContact CB-CE2 4.04Å; V408-F410 HydrophobicContact CB-CZ 3.89Å; V408-F410 HydrophobicContact CG1-CD1 3.8Å; V408-F410 HydrophobicContact CG1-CD2 4.17Å; V408-F410 HydrophobicContact CG1-CE1 3.57Å; V408-F410 HydrophobicContact CG1-CE2 3.96Å; V408-F410 HydrophobicContact CG1-CG 4.09Å; V408-F410 HydrophobicContact CG1-CZ 3.64Å; V408-R415 VanDerWaalsContact O-CA 3.27Å; V408-R415 WeakPolarHBondContact O-CA 3.22Å; V408-L416 PolarHBondContact N-O 2.77Å; V408-L416 PolarHBondContact O-N 2.87Å; V408-L453 HydrophobicContact CG2-CB 4.3Å; V408-L453 HydrophobicContact CG2-CD1 3.65Å; V408-F456 HydrophobicContact CG1-CD2 4.16Å; V408-F456 HydrophobicContact CG1-CE2 3.91Å; V408-F456 HydrophobicContact CG2-CB 4.29Å; V408-F456 HydrophobicContact CG2-CD2 3.6Å; V408-F456 HydrophobicContact CG2-CE2 4.21Å; V408-F456 HydrophobicContact CG2-CG 4.18Å
409V98Very high94.6Very high9 Ų918.4 Ų18.46%0.05510%0.097CC..EExtended strand (participates in β ladder)trans-98.4112.1163.1-174.30000106.8G396 L397 Y399 R415 L485G396-V409 CarbonylContact C-O 3.55Å; G396-V409 VanDerWaalsContact CA-O 3.22Å; G396-V409 WeakPolarHBondContact CA-O 3.4Å; L397-V409 PolarHBondContact N-O 3.13Å; L397-V409 PolarHBondContact O-N 2.9Å; Y399-V409 HydrophobicContact CE1-CG2 3.95Å; V409-R415 HydrophobicContact CG1-CG 4.36Å; V409-R415 HydrophobicContact CG2-CG 4.25Å; V409-L485 HydrophobicContact CG2-CB 3.77Å; V409-L485 HydrophobicContact CG2-CD2 3.95Å; V409-L485 HydrophobicContact CG2-CG 4.17Å
410F97.9Very high94.1Very high12 Ų1220.8 Ų20.85%0.05311%0.111CC..EExtended strand (participates in β ladder)trans-80.9159.5-179.4-65.6-78.8000111.3Y395 V408 D412 V413 T414 L416 K449 L452Y395-F410 WeakPolarHBondContact O-CA 3.38Å; V408-F410 HydrophobicContact CB-CE1 4.33Å; V408-F410 HydrophobicContact CB-CE2 4.04Å; V408-F410 HydrophobicContact CB-CZ 3.89Å; V408-F410 HydrophobicContact CG1-CD1 3.8Å; V408-F410 HydrophobicContact CG1-CD2 4.17Å; V408-F410 HydrophobicContact CG1-CE1 3.57Å; V408-F410 HydrophobicContact CG1-CE2 3.96Å; V408-F410 HydrophobicContact CG1-CG 4.09Å; V408-F410 HydrophobicContact CG1-CZ 3.64Å; F410-D412 WeakPolarHBondContact CB-OD1 3.38Å; F410-D412 PolarHBondContact O-N 3.31Å; F410-V413 WeakPolarHBondContact O-CA 3.48Å; F410-V413 PolarHBondContact O-N 3.05Å; F410-T414 PolarHBondContact N-O 2.85Å; F410-L416 HydrophobicContact CE2-CB 3.69Å; F410-L416 HydrophobicContact CZ-CB 4.37Å; F410-K449 HydrophobicContact CD1-CG 4.27Å; F410-K449 HydrophobicContact CD2-CD 3.91Å; F410-K449 HydrophobicContact CD2-CG 4.21Å; F410-K449 HydrophobicContact CE1-CB 4.08Å; F410-K449 HydrophobicContact CE1-CG 3.89Å; F410-K449 HydrophobicContact CE2-CB 3.81Å; F410-K449 HydrophobicContact CE2-CD 3.83Å; F410-K449 HydrophobicContact CE2-CG 3.82Å; F410-K449 HydrophobicContact CG-CD 4.37Å; F410-K449 HydrophobicContact CG-CG 4.43Å; F410-K449 HydrophobicContact CZ-CB 3.47Å; F410-K449 VanDerWaalsContact CZ-CB 3.47Å; F410-K449 HydrophobicContact CZ-CD 4.21Å; F410-K449 HydrophobicContact CZ-CG 3.66Å; F410-L452 HydrophobicContact CD1-CD1 4.45Å; F410-L452 HydrophobicContact CE1-CB 4.06Å; F410-L452 HydrophobicContact CE1-CD1 3.91Å
411N95.8Very high93.5Very high80 Ų8024 Ų2443%0.42813%0.129SC..THydrogen-bonded Turntrans-62.6-22.9177.5-75-9.7000113.7S392 Y395 G396 V413S392-N411 PolarHBondContact O-ND2 3.12Å; S392-N411 PolarHBondContact O-OD1 2.88Å; Y395-N411 PolarHBondContact O-N 3.3Å; G396-N411 VanDerWaalsContact CA-OD1 3.31Å; G396-N411 WeakPolarHBondContact CA-OD1 3.42Å; G396-N411 PolarHBondContact N-OD1 3.16Å; N411-V413 PolarHBondContact O-N 3.31Å
412D95.5Very high93.3Very high81 Ų8128 Ų2843%0.43315%0.148SC..THydrogen-bonded Turntrans-83.418172.569.2-1000112.9F410 T414 K449F410-D412 WeakPolarHBondContact CB-OD1 3.38Å; F410-D412 PolarHBondContact O-N 3.31Å; D412-T414 PolarHBondContact O-N 3.25Å; D412-T414 WeakPolarHBondContact OD1-CB 3.34Å; D412-T414 WeakPolarHBondContact OD1-CG2 3.49Å; D412-T414 PolarHBondContact OD1-N 3.24Å; D412-T414 PolarHBondContact OD1-OG1 2.87Å; D412-K449 IonicContact OD1-NZ 3.71Å; D412-K449 WeakPolarHBondContact OD2-CE 3.33Å; D412-K449 IonicContact OD2-NZ 3.59Å; D412-K449 PolarHBondContact OD2-NZ 3.1Å
413V94Very high93.3Very high40 Ų4031 Ų3124%0.24216%0.161CC..SBendtrans63.1-1.9-179.9-52.80000116.8F410 N411 R415 E430 P578F410-V413 WeakPolarHBondContact O-CA 3.48Å; F410-V413 PolarHBondContact O-N 3.05Å; N411-V413 PolarHBondContact O-N 3.31Å; V413-R415 PolarHBondContact O-NH1 3.43Å; V413-E430 HydrophobicContact CG2-CB 3.75Å; V413-P578 HydrophobicContact CB-CG 4.37Å; V413-P578 HydrophobicContact CG1-CB 3.94Å; V413-P578 HydrophobicContact CG1-CG 3.7Å; V413-P578 HydrophobicContact CG2-CG 4.12Å
414T97.4Very high93.5Very high2 Ų231.9 Ų31.91%0.01217%0.165CC..  trans-73.2160.3172.771.90000110.8F410 D412 Y427 I428 K449F410-T414 PolarHBondContact N-O 2.85Å; D412-T414 PolarHBondContact O-N 3.25Å; D412-T414 WeakPolarHBondContact OD1-CB 3.34Å; D412-T414 WeakPolarHBondContact OD1-CG2 3.49Å; D412-T414 PolarHBondContact OD1-N 3.24Å; D412-T414 PolarHBondContact OD1-OG1 2.87Å; T414-Y427 HydrophobicContact CG2-CE2 4.43Å; T414-Y427 VanDerWaalsContact CG2-OH 3.31Å; T414-Y427 WeakPolarHBondContact CG2-OH 3.4Å; T414-I428 CarbonylContact C-O 3.56Å; T414-I428 WeakPolarHBondContact CA-O 3.43Å; T414-K449 WeakPolarHBondContact OG1-CE 3.48Å; T414-K449 PolarHBondContact OG1-NZ 3.06Å
415R97.9Very high93.7Very high34 Ų3428.8 Ų28.813%0.12815%0.149CC..EExtended strand (participates in β ladder)trans-132.4145-178.8-54.7168.3-178.667.37.2110.3V408 V409 V413 L417 Y427 I428 L485 R486V408-R415 VanDerWaalsContact O-CA 3.27Å; V408-R415 WeakPolarHBondContact O-CA 3.22Å; V409-R415 HydrophobicContact CG1-CG 4.36Å; V409-R415 HydrophobicContact CG2-CG 4.25Å; V413-R415 PolarHBondContact O-NH1 3.43Å; R415-L417 HydrophobicContact CB-CD1 4.32Å; R415-Y427 CarbonylContact O-C 3.56Å; R415-Y427 WeakPolarHBondContact O-CA 3.39Å; R415-Y427 VanDerWaalsContact O-CD2 3.29Å; R415-Y427 WeakPolarHBondContact O-CD2 3.1Å; R415-I428 HydrophobicContact CB-CB 4.17Å; R415-I428 HydrophobicContact CB-CD1 4.48Å; R415-I428 PolarHBondContact N-O 3.47Å; R415-I428 PolarHBondContact O-N 2.93Å; R415-L485 WeakPolarHBondContact CD-O 3.47Å; R415-L485 PolarHBondContact NE-O 2.73Å; R415-R486 PolarHBondContact NH2-O 3.5Å
416L97.6Very high93.8Very high0 Ų029 Ų290%015%0.15CC..EExtended strand (participates in β ladder)trans-134.4124.5172.6-173.464.8000108.9G407 V408 F410 L425 Q426 Y427 K449 V450 L453G407-L416 CarbonylContact C-O 3.56Å; G407-L416 VanDerWaalsContact CA-O 3.31Å; G407-L416 WeakPolarHBondContact CA-O 3.17Å; V408-L416 PolarHBondContact N-O 2.77Å; V408-L416 PolarHBondContact O-N 2.87Å; F410-L416 HydrophobicContact CE2-CB 3.69Å; F410-L416 HydrophobicContact CZ-CB 4.37Å; L416-L425 HydrophobicContact CD1-CB 4.22Å; L416-L425 HydrophobicContact CD1-CD2 4.2Å; L416-L425 HydrophobicContact CG-CD2 4.29Å; L416-Q426 CarbonylContact C-O 3.52Å; L416-Q426 WeakPolarHBondContact CA-O 3.47Å; L416-Y427 HydrophobicContact CD1-CD2 4.26Å; L416-K449 HydrophobicContact CD2-CB 4.14Å; L416-V450 HydrophobicContact CD2-CG2 3.91Å; L416-L453 HydrophobicContact CD2-CB 4.18Å; L416-L453 HydrophobicContact CD2-CD2 3.87Å; L416-L453 HydrophobicContact CG-CD2 3.95Å
417L96.1Very high93.8Very high1 Ų129 Ų291%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-115.7148.2178-58.584.6000110.2Y406 R415 L425 Q426 I428 L482 F484Y406-L417 CarbonylContact O-C 3.55Å; Y406-L417 VanDerWaalsContact O-CA 3.22Å; Y406-L417 WeakPolarHBondContact O-CA 3.29Å; R415-L417 HydrophobicContact CB-CD1 4.32Å; L417-L425 CarbonylContact O-C 3.51Å; L417-L425 VanDerWaalsContact O-CA 3.28Å; L417-L425 WeakPolarHBondContact O-CA 3.38Å; L417-Q426 HydrophobicContact CB-CB 4.23Å; L417-Q426 HydrophobicContact CD1-CG 4.46Å; L417-Q426 PolarHBondContact N-O 3.44Å; L417-Q426 PolarHBondContact O-N 2.79Å; L417-I428 HydrophobicContact CD1-CD1 4.09Å; L417-L482 HydrophobicContact CD2-CB 3.88Å; L417-L482 HydrophobicContact CD2-CD1 4.46Å; L417-F484 HydrophobicContact CD1-CB 3.91Å; L417-F484 HydrophobicContact CD2-CB 3.87Å; L417-F484 HydrophobicContact CG-CB 4.46Å
418L94Very high93.7Very high3 Ų329.2 Ų29.22%0.01615%0.151CC..EExtended strand (participates in β ladder)trans-121.5122175.7179.666.7000108.4S405 Y406 N424 L425 L439 L453 K457S405-L418 WeakPolarHBondContact CA-O 3.35Å; S405-L418 WeakPolarHBondContact CB-O 3.39Å; Y406-L418 HydrophobicContact CD2-CD2 4.31Å; Y406-L418 PolarHBondContact N-O 3.4Å; Y406-L418 PolarHBondContact O-N 2.86Å; L418-N424 WeakPolarHBondContact CA-O 3.04Å; L418-L425 HydrophobicContact CB-CD2 4.28Å; L418-L425 HydrophobicContact CD1-CD2 3.83Å; L418-L439 HydrophobicContact CD1-CD1 3.99Å; L418-L439 HydrophobicContact CD1-CD2 4.14Å; L418-L439 HydrophobicContact CD1-CG 3.85Å; L418-L453 HydrophobicContact CB-CD2 3.83Å; L418-K457 HydrophobicContact CD2-CD 4.21Å
419T89.4Confident93.6Very high8 Ų829.8 Ų29.85%0.04915%0.154CC..  trans-71.8171.9-179.766.70000112.2N421 E422 N424 D477 T480 L482T419-N421 PolarHBondContact O-N 3.27Å; T419-N421 PolarHBondContact OG1-OD1 3.25Å; T419-E422 WeakPolarHBondContact O-CA 3.38Å; T419-E422 PolarHBondContact O-N 3.16Å; T419-N424 HydrophobicContact CG2-CB 4Å; T419-N424 PolarHBondContact N-O 3.26Å; T419-N424 WeakPolarHBondContact OG1-CB 3.47Å; T419-D477 WeakPolarHBondContact CB-OD2 3.34Å; T419-D477 PolarHBondContact OG1-OD2 3.41Å; T419-T480 HydrophobicContact CG2-CG2 4.35Å; T419-L482 HydrophobicContact CG2-CD1 4.16Å
420T85.4Confident93.3Very high49 Ų4934.6 Ų34.630%0.30118%0.176SC..THydrogen-bonded Turntrans-68.2-17.3-175.754.60000114.3D403 E422D403-T420 HydrophobicContact CB-CG2 4.25Å; D403-T420 WeakPolarHBondContact O-CG2 3.2Å; D403-T420 WeakPolarHBondContact OD2-CG2 3.49Å; T420-E422 PolarHBondContact O-N 2.8Å
421N83.6Confident93Very high75 Ų7540.7 Ų40.740%0.40120%0.204SC..THydrogen-bonded Turntrans-76.7-2.1170.478.6-4.6000112.6T419 Q423 N424 D477T419-N421 PolarHBondContact O-N 3.27Å; T419-N421 PolarHBondContact OG1-OD1 3.25Å; N421-Q423 PolarHBondContact O-N 2.85Å; N421-Q423 VanDerWaalsContact O-N 3.15Å; N421-Q423 WeakPolarHBondContact OD1-CA 2.99Å; N421-Q423 WeakPolarHBondContact OD1-CB 3.43Å; N421-Q423 PolarHBondContact OD1-N 3.05Å; N421-N424 PolarHBondContact ND2-ND2 3.48Å; N421-N424 PolarHBondContact OD1-N 3.44Å; N421-D477 PolarHBondContact ND2-OD2 2.87Å; N421-D477 PolarHBondContact OD1-OD2 2.94Å
422E88.9Confident92.7Very high85 Ų8538.8 Ų38.840%0.39720%0.203SC..SBendtrans55.227.9-178.8-50.3-162.6144.800113.8T419 T420 L439 K457T419-E422 WeakPolarHBondContact O-CA 3.38Å; T419-E422 PolarHBondContact O-N 3.16Å; T420-E422 PolarHBondContact O-N 2.8Å; E422-L439 WeakPolarHBondContact O-CD1 3.45Å; E422-K457 WeakPolarHBondContact OE1-CE 3.38Å; E422-K457 IonicContact OE1-NZ 3.52Å; E422-K457 PolarHBondContact OE1-NZ 3.21Å; E422-K457 IonicContact OE2-NZ 3.67Å; E422-K457 PolarHBondContact OE2-NZ 2.92Å
423Q89.6Confident92.5Very high71 Ų7138 Ų3833%0.33220%0.202SC..  trans-130.7-40.8-177.3-178.462.63.700112.6N421 T438 L439 S440N421-Q423 PolarHBondContact O-N 2.85Å; N421-Q423 VanDerWaalsContact O-N 3.15Å; N421-Q423 WeakPolarHBondContact OD1-CA 2.99Å; N421-Q423 WeakPolarHBondContact OD1-CB 3.43Å; N421-Q423 PolarHBondContact OD1-N 3.05Å; Q423-T438 CarbonylContact O-C 3.51Å; Q423-T438 WeakPolarHBondContact O-CA 3.31Å; Q423-T438 WeakPolarHBondContact O-CB 3.48Å; Q423-L439 PolarHBondContact O-N 3.18Å; Q423-S440 PolarHBondContact NE2-OG 3.3Å
424N91.1Very high92.4Very high42 Ų4238.1 Ų38.123%0.22520%0.2CC..EExtended strand (participates in β ladder)trans-84.8133.1-176.5-66.5-42000111.9L418 T419 N421 D477L418-N424 WeakPolarHBondContact CA-O 3.04Å; T419-N424 HydrophobicContact CG2-CB 4Å; T419-N424 PolarHBondContact N-O 3.26Å; T419-N424 WeakPolarHBondContact OG1-CB 3.47Å; N421-N424 PolarHBondContact ND2-ND2 3.48Å; N421-N424 PolarHBondContact OD1-N 3.44Å; N424-D477 PolarHBondContact ND2-OD2 3.15Å
425L93.4Very high92.1Very high1 Ų143.3 Ų43.31%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-111.1134179.4-69.2176.1000111.1L416 L417 L418 L436 F437 L439 H442 V450 L453L416-L425 HydrophobicContact CD1-CB 4.22Å; L416-L425 HydrophobicContact CD1-CD2 4.2Å; L416-L425 HydrophobicContact CG-CD2 4.29Å; L417-L425 CarbonylContact O-C 3.51Å; L417-L425 VanDerWaalsContact O-CA 3.28Å; L417-L425 WeakPolarHBondContact O-CA 3.38Å; L418-L425 HydrophobicContact CB-CD2 4.28Å; L418-L425 HydrophobicContact CD1-CD2 3.83Å; L425-L436 WeakPolarHBondContact O-CA 3.47Å; L425-F437 HydrophobicContact CB-CB 4.15Å; L425-F437 HydrophobicContact CD1-CB 4.45Å; L425-F437 PolarHBondContact N-O 2.93Å; L425-F437 PolarHBondContact O-N 3.47Å; L425-L439 HydrophobicContact CD1-CD2 4.14Å; L425-L439 HydrophobicContact CD2-CD2 3.94Å; L425-L439 HydrophobicContact CG-CD2 4.21Å; L425-H442 HydrophobicContact CD1-CB 4.48Å; L425-V450 HydrophobicContact CD1-CG2 3.76Å; L425-L453 HydrophobicContact CD2-CD2 3.59Å
426Q93.2Very high91.7Very high5 Ų544.6 Ų44.62%0.02323%0.228CC..EExtended strand (participates in β ladder)trans-115.2108.2171.2179.2-165.75.600108.3L416 L417 I428 E434 L436L416-Q426 CarbonylContact C-O 3.52Å; L416-Q426 WeakPolarHBondContact CA-O 3.47Å; L417-Q426 HydrophobicContact CB-CB 4.23Å; L417-Q426 HydrophobicContact CD1-CG 4.46Å; L417-Q426 PolarHBondContact N-O 3.44Å; L417-Q426 PolarHBondContact O-N 2.79Å; Q426-I428 HydrophobicContact CG-CG1 4.45Å; Q426-E434 VanDerWaalsContact CD-OE1 3.28Å; Q426-E434 HydrophobicContact CG-CG 3.92Å; Q426-E434 WeakPolarHBondContact CG-OE1 3.44Å; Q426-E434 PolarHBondContact NE2-OE1 3.36Å; Q426-L436 HydrophobicContact CB-CD2 4.1Å; Q426-L436 HydrophobicContact CG-CD2 4.35Å
427Y95.5Very high91.4Very high12 Ų1246.8 Ų46.85%0.04724%0.238CC..EExtended strand (participates in β ladder)trans-95.5135.1174.2179.3-111000109.9T414 R415 L416 D429 E434 R435 L446 K449T414-Y427 HydrophobicContact CG2-CE2 4.43Å; T414-Y427 VanDerWaalsContact CG2-OH 3.31Å; T414-Y427 WeakPolarHBondContact CG2-OH 3.4Å; R415-Y427 CarbonylContact O-C 3.56Å; R415-Y427 WeakPolarHBondContact O-CA 3.39Å; R415-Y427 VanDerWaalsContact O-CD2 3.29Å; R415-Y427 WeakPolarHBondContact O-CD2 3.1Å; L416-Y427 HydrophobicContact CD1-CD2 4.26Å; Y427-D429 HydrophobicContact CE1-CB 3.86Å; Y427-E434 CarbonylContact O-C 3.48Å; Y427-E434 WeakPolarHBondContact O-CA 3.48Å; Y427-R435 PolarHBondContact N-O 3.15Å; Y427-R435 PolarHBondContact O-N 3.05Å; Y427-L446 HydrophobicContact CD1-CD1 4.35Å; Y427-L446 HydrophobicContact CD1-CD2 4.3Å; Y427-L446 HydrophobicContact CD2-CD1 4.31Å; Y427-L446 HydrophobicContact CD2-CD2 3.68Å; Y427-L446 HydrophobicContact CE1-CD2 4.17Å; Y427-L446 HydrophobicContact CE2-CD2 3.53Å; Y427-L446 HydrophobicContact CG-CD1 4.01Å; Y427-L446 HydrophobicContact CG-CD2 4.06Å; Y427-K449 HydrophobicContact CE2-CD 4.14Å; Y427-K449 PolarHBondContact OH-NZ 2.89Å
428I95.9Very high91.2Very high3 Ų348.3 Ų48.32%0.01525%0.247CC..EExtended strand (participates in β ladder)trans-125.7118.1175.2-53.1170.2000107T414 R415 L417 Q426 T433 E434 F484T414-I428 CarbonylContact C-O 3.56Å; T414-I428 WeakPolarHBondContact CA-O 3.43Å; R415-I428 HydrophobicContact CB-CB 4.17Å; R415-I428 HydrophobicContact CB-CD1 4.48Å; R415-I428 PolarHBondContact N-O 3.47Å; R415-I428 PolarHBondContact O-N 2.93Å; L417-I428 HydrophobicContact CD1-CD1 4.09Å; Q426-I428 HydrophobicContact CG-CG1 4.45Å; I428-T433 WeakPolarHBondContact CA-O 3.39Å; I428-E434 HydrophobicContact CG1-CG 4.36Å; I428-F484 HydrophobicContact CD1-CB 3.96Å; I428-F484 HydrophobicContact CD1-CD1 3.25Å; I428-F484 HydrophobicContact CD1-CD2 4.1Å; I428-F484 HydrophobicContact CD1-CE1 3.63Å; I428-F484 HydrophobicContact CD1-CE2 4.4Å; I428-F484 HydrophobicContact CD1-CG 3.51Å; I428-F484 HydrophobicContact CD1-CZ 4.19Å
429D95.2Very high91.1Very high12 Ų1250.5 Ų50.56%0.06426%0.259CS..  trans-77.4178.1179.571.518.1000112.6Y427 H431 G432 T433Y427-D429 HydrophobicContact CE1-CB 3.86Å; D429-H431 PolarHBondContact O-N 2.88Å; D429-H431 WeakPolarHBondContact OD1-CA 3.14Å; D429-H431 WeakPolarHBondContact OD1-CB 3.47Å; D429-H431 PolarHBondContact OD1-N 3.45Å; D429-G432 PolarHBondContact O-N 3.18Å; D429-G432 PolarHBondContact OD1-N 3.25Å; D429-G432 VanDerWaalsContact OD1-N 3.15Å; D429-T433 PolarHBondContact N-O 3.22Å; D429-T433 WeakPolarHBondContact OD1-CA 3.37Å; D429-T433 WeakPolarHBondContact OD1-CB 3.47Å; D429-T433 PolarHBondContact OD1-N 2.89Å; D429-T433 PolarHBondContact OD1-OG1 3.4Å; D429-T433 WeakPolarHBondContact OD2-CB 3.45Å; D429-T433 PolarHBondContact OD2-OG1 3.23Å
430E92.5Very high91.2Very high110 Ų11054.6 Ų54.651%0.51429%0.288SS..THydrogen-bonded Turntrans-60.3-23.2-179.859.6-90.9-14900113.7V413V413-E430 HydrophobicContact CG2-CB 3.75Å
431H91.1Very high91.5Very high140 Ų14060.3 Ų60.365%0.64831%0.308SS*.THydrogen-bonded Turntrans-92.10.9177.1-55.8-53.6000112.6D429 T433D429-H431 PolarHBondContact O-N 2.88Å; D429-H431 WeakPolarHBondContact OD1-CA 3.14Å; D429-H431 WeakPolarHBondContact OD1-CB 3.47Å; D429-H431 PolarHBondContact OD1-N 3.45Å; H431-T433 VanDerWaalsContact C-N 3.29Å
432G89.4Confident92Very high40 Ų4059.2 Ų59.241%0.41230%0.301SS..  trans77.514-176.200000113.6D429D429-G432 PolarHBondContact O-N 3.18Å; D429-G432 PolarHBondContact OD1-N 3.25Å; D429-G432 VanDerWaalsContact OD1-N 3.15Å
433T91.6Very high92.4Very high65 Ų6556.8 Ų56.840%0.39929%0.292SS..  trans-76.1127.6174.5-45.30000109.3I428 D429 H431I428-T433 WeakPolarHBondContact CA-O 3.39Å; D429-T433 PolarHBondContact N-O 3.22Å; D429-T433 WeakPolarHBondContact OD1-CA 3.37Å; D429-T433 WeakPolarHBondContact OD1-CB 3.47Å; D429-T433 PolarHBondContact OD1-N 2.89Å; D429-T433 PolarHBondContact OD1-OG1 3.4Å; D429-T433 WeakPolarHBondContact OD2-CB 3.45Å; D429-T433 PolarHBondContact OD2-OG1 3.23Å; H431-T433 VanDerWaalsContact C-N 3.29Å
434E91.2Very high92.7Very high42 Ų4261.7 Ų61.720%0.19632%0.315CS..EExtended strand (participates in β ladder)trans-97.5129.7-175.7-170.5-179.7-173.500110.5R295 Q426 Y427 I428 R481R295-E434 VanDerWaalsContact CZ-CD 3.45Å; R295-E434 IonicContact CZ-OE1 3.38Å; R295-E434 IonicContact CZ-OE2 2.69Å; R295-E434 IonicContact NE-OE2 3.26Å; R295-E434 IonicContact NH1-OE1 3.56Å; R295-E434 PolarHBondContact NH1-OE1 3.39Å; R295-E434 IonicContact NH1-OE2 3.33Å; R295-E434 PolarHBondContact NH1-OE2 2.89Å; Q426-E434 VanDerWaalsContact CD-OE1 3.28Å; Q426-E434 HydrophobicContact CG-CG 3.92Å; Q426-E434 WeakPolarHBondContact CG-OE1 3.44Å; Q426-E434 PolarHBondContact NE2-OE1 3.36Å; Y427-E434 CarbonylContact O-C 3.48Å; Y427-E434 WeakPolarHBondContact O-CA 3.48Å; I428-E434 HydrophobicContact CG1-CG 4.36Å; E434-R481 IonicContact OE1-NE 2.75Å; E434-R481 PolarHBondContact OE1-NE 2.75Å; E434-R481 IonicContact OE2-CZ 3.7Å; E434-R481 IonicContact OE2-NE 3.17Å; E434-R481 PolarHBondContact OE2-NE 3.43Å; E434-R481 IonicContact OE2-NH2 2.82Å; E434-R481 PolarHBondContact OE2-NH2 3.42Å
435R91.5Very high92.9Very high112 Ų11265.7 Ų65.742%0.42333%0.328SS..EExtended strand (participates in β ladder)trans-129.5144.7176.7-61.2-178.1-174.1173.20.9110.2Y427 F437 Y445Y427-R435 PolarHBondContact N-O 3.15Å; Y427-R435 PolarHBondContact O-N 3.05Å; R435-F437 HydrophobicContact CB-CE2 3.64Å; R435-F437 HydrophobicContact CB-CZ 3.79Å; R435-Y445 PolarHBondContact NH1-OH 3.27Å
436L89.2Confident93Very high61 Ų6165.7 Ų65.732%0.31933%0.328SS..EExtended strand (participates in β ladder)trans-111.7137.1-177.3-67.2174.4000111T298 L425 Q426T298-L436 HydrophobicContact CG2-CD1 3.89Å; L425-L436 WeakPolarHBondContact O-CA 3.47Å; Q426-L436 HydrophobicContact CB-CD2 4.1Å; Q426-L436 HydrophobicContact CG-CD2 4.35Å
437F92.6Very high93.2Very high45 Ų4567.6 Ų67.620%0.19734%0.342CS..EExtended strand (participates in β ladder)trans-142.4179178.2-56.2-67.2000109.6L425 R435 K441 H442 P443 L446L425-F437 HydrophobicContact CB-CB 4.15Å; L425-F437 HydrophobicContact CD1-CB 4.45Å; L425-F437 PolarHBondContact N-O 2.93Å; L425-F437 PolarHBondContact O-N 3.47Å; R435-F437 HydrophobicContact CB-CE2 3.64Å; R435-F437 HydrophobicContact CB-CZ 3.79Å; F437-K441 WeakPolarHBondContact CB-O 3.48Å; F437-H442 HydrophobicContact CB-CB 3.78Å; F437-H442 HydrophobicContact CG-CB 4.09Å; F437-P443 HydrophobicContact CD1-CG 4.38Å; F437-P443 HydrophobicContact CE1-CG 3.84Å; F437-P443 HydrophobicContact CE2-CG 4.29Å; F437-P443 HydrophobicContact CZ-CG 3.78Å; F437-L446 HydrophobicContact CD2-CD1 3.53Å; F437-L446 HydrophobicContact CE2-CD1 3.38Å; F437-L446 HydrophobicContact CG-CD1 4.46Å; F437-L446 HydrophobicContact CZ-CD1 4.22Å
438T91.7Very high93.3Very high34 Ų3475.4 Ų75.421%0.20938%0.376CS..EExtended strand (participates in β ladder)trans-119.3160.9165.368.70000110.2Q423 S440 K441 H442Q423-T438 CarbonylContact O-C 3.51Å; Q423-T438 WeakPolarHBondContact O-CA 3.31Å; Q423-T438 WeakPolarHBondContact O-CB 3.48Å; T438-S440 PolarHBondContact O-N 3.33Å; T438-S440 PolarHBondContact OG1-N 2.92Å; T438-S440 PolarHBondContact OG1-OG 3.37Å; T438-S440 VanDerWaalsContact OG1-OG 3.07Å; T438-K441 PolarHBondContact N-O 3.1Å; T438-K441 CarbonylContact O-C 3.55Å; T438-K441 VanDerWaalsContact O-C 3.23Å; T438-K441 PolarHBondContact O-N 2.87Å; T438-K441 VanDerWaalsContact OG1-CB 3.31Å; T438-K441 WeakPolarHBondContact OG1-CB 3.06Å; T438-K441 PolarHBondContact OG1-N 3.43Å; T438-H442 PolarHBondContact O-ND1 3.45Å
439L90.8Very high93.4Very high49 Ų4976.6 Ų76.626%0.25738%0.381SS..SBendtrans-53.4-37.2172.1-78.2-175.9000111.7L418 E422 Q423 L425 H442 V450L418-L439 HydrophobicContact CD1-CD1 3.99Å; L418-L439 HydrophobicContact CD1-CD2 4.14Å; L418-L439 HydrophobicContact CD1-CG 3.85Å; E422-L439 WeakPolarHBondContact O-CD1 3.45Å; Q423-L439 PolarHBondContact O-N 3.18Å; L425-L439 HydrophobicContact CD1-CD2 4.14Å; L425-L439 HydrophobicContact CD2-CD2 3.94Å; L425-L439 HydrophobicContact CG-CD2 4.21Å; L439-H442 PolarHBondContact O-CE1 3.27Å; L439-H442 PolarHBondContact O-ND1 3.4Å; L439-V450 HydrophobicContact CD2-CG1 3.8Å
440S91Very high93.5Very high94 Ų9476.6 Ų76.666%0.65738%0.381SS*.SBendtrans-81.3-21.2177.4590000114.6Q423 T438Q423-S440 PolarHBondContact NE2-OG 3.3Å; T438-S440 PolarHBondContact O-N 3.33Å; T438-S440 PolarHBondContact OG1-N 2.92Å; T438-S440 PolarHBondContact OG1-OG 3.37Å; T438-S440 VanDerWaalsContact OG1-OG 3.07Å
441K93.3Very high93.7Very high169 Ų16975.4 Ų75.474%0.73538%0.382SS*.SBendtrans-140.389.5-172.6-169.6177.7-178.7175.50110.5F437 T438F437-K441 WeakPolarHBondContact CB-O 3.48Å; T438-K441 PolarHBondContact N-O 3.1Å; T438-K441 CarbonylContact O-C 3.55Å; T438-K441 VanDerWaalsContact O-C 3.23Å; T438-K441 PolarHBondContact O-N 2.87Å; T438-K441 VanDerWaalsContact OG1-CB 3.31Å; T438-K441 WeakPolarHBondContact OG1-CB 3.06Å; T438-K441 PolarHBondContact OG1-N 3.43Å
442H94.3Very high93.9Very high51 Ų5170.3 Ų70.324%0.23636%0.359CS..  trans-138.5155.7174.754.8-87.5000109.4L425 F437 T438 L439L425-H442 HydrophobicContact CD1-CB 4.48Å; F437-H442 HydrophobicContact CB-CB 3.78Å; F437-H442 HydrophobicContact CG-CB 4.09Å; T438-H442 PolarHBondContact O-ND1 3.45Å; L439-H442 PolarHBondContact O-CE1 3.27Å; L439-H442 PolarHBondContact O-ND1 3.4Å
443P95.9Very high94.3Very high35 Ų3568.5 Ų68.523%0.22734%0.34CS..  trans-68.7149.3178.429.3-37.2000111.2F437 Y445 L446F437-P443 HydrophobicContact CD1-CG 4.38Å; F437-P443 HydrophobicContact CE1-CG 3.84Å; F437-P443 HydrophobicContact CE2-CG 4.29Å; F437-P443 HydrophobicContact CZ-CG 3.78Å; P443-Y445 HydrophobicContact CB-CD1 3.6Å; P443-Y445 HydrophobicContact CB-CE1 3.28Å; P443-Y445 HydrophobicContact CG-CD1 3.88Å; P443-Y445 HydrophobicContact CG-CE1 3.24Å; P443-Y445 HydrophobicContact CG-CE2 4.23Å; P443-Y445 VanDerWaalsContact CG-CZ 3.43Å; P443-Y445 PolarHBondContact O-N 2.92Å; P443-Y445 VanDerWaalsContact O-N 3.15Å; P443-L446 HydrophobicContact CG-CD1 3.9Å; P443-L446 HydrophobicContact CG-CG 4.05Å; P443-L446 WeakPolarHBondContact O-CB 3.37Å; P443-L446 PolarHBondContact O-N 3.18Å
444E96.3Very high94.4Very high173 Ų17368.7 Ų68.781%0.80834%0.341SS*.G310 helixtrans-57.7-33.4-172.9-171.5179.3179.600113.8L446 S447E444-L446 PolarHBondContact O-N 3.46Å; E444-L446 VanDerWaalsContact O-N 3.1Å; E444-S447 VanDerWaalsContact O-CB 3.32Å; E444-S447 WeakPolarHBondContact O-CB 3.41Å; E444-S447 PolarHBondContact O-N 2.96Å; E444-S447 PolarHBondContact O-OG 2.83Å; E444-S447 VanDerWaalsContact O-OG 3.04Å
445Y95.1Very high94.6Very high127 Ų12770.1 Ų70.150%0.49836%0.355SS..G310 helixtrans-62.7-18.9177.370-97.5000113.3R435 P443R435-Y445 PolarHBondContact NH1-OH 3.27Å; P443-Y445 HydrophobicContact CB-CD1 3.6Å; P443-Y445 HydrophobicContact CB-CE1 3.28Å; P443-Y445 HydrophobicContact CG-CD1 3.88Å; P443-Y445 HydrophobicContact CG-CE1 3.24Å; P443-Y445 HydrophobicContact CG-CE2 4.23Å; P443-Y445 VanDerWaalsContact CG-CZ 3.43Å; P443-Y445 PolarHBondContact O-N 2.92Å; P443-Y445 VanDerWaalsContact O-N 3.15Å
446L96.7Very high94.8Very high0 Ų065.3 Ų65.30%034%0.337CS..G310 helixtrans-91.2-11.2175-66.1-177.1000113.8Y427 F437 P443 E444 K448 K449 V450Y427-L446 HydrophobicContact CD1-CD1 4.35Å; Y427-L446 HydrophobicContact CD1-CD2 4.3Å; Y427-L446 HydrophobicContact CD2-CD1 4.31Å; Y427-L446 HydrophobicContact CD2-CD2 3.68Å; Y427-L446 HydrophobicContact CE1-CD2 4.17Å; Y427-L446 HydrophobicContact CE2-CD2 3.53Å; Y427-L446 HydrophobicContact CG-CD1 4.01Å; Y427-L446 HydrophobicContact CG-CD2 4.06Å; F437-L446 HydrophobicContact CD2-CD1 3.53Å; F437-L446 HydrophobicContact CE2-CD1 3.38Å; F437-L446 HydrophobicContact CG-CD1 4.46Å; F437-L446 HydrophobicContact CZ-CD1 4.22Å; P443-L446 HydrophobicContact CG-CD1 3.9Å; P443-L446 HydrophobicContact CG-CG 4.05Å; P443-L446 WeakPolarHBondContact O-CB 3.37Å; P443-L446 PolarHBondContact O-N 3.18Å; E444-L446 PolarHBondContact O-N 3.46Å; E444-L446 VanDerWaalsContact O-N 3.1Å; L446-K448 VanDerWaalsContact C-N 3.26Å; L446-K448 PolarHBondContact O-N 3.08Å; L446-K448 VanDerWaalsContact O-N 3.13Å; L446-K449 HydrophobicContact CD2-CD 4.19Å; L446-K449 WeakPolarHBondContact O-CA 3.3Å; L446-K449 WeakPolarHBondContact O-CB 3.29Å; L446-K449 PolarHBondContact O-N 3.2Å; L446-V450 HydrophobicContact CB-CG2 4.37Å; L446-V450 WeakPolarHBondContact O-CG2 3.13Å; L446-V450 PolarHBondContact O-N 3.43Å
447S97.3Very high94.9Very high45 Ų4564.5 Ų64.532%0.31533%0.331SS..Hα-helixtrans-54.8-39.6-172.5-610000113.2E444 V450 T451E444-S447 VanDerWaalsContact O-CB 3.32Å; E444-S447 WeakPolarHBondContact O-CB 3.41Å; E444-S447 PolarHBondContact O-N 2.96Å; E444-S447 PolarHBondContact O-OG 2.83Å; E444-S447 VanDerWaalsContact O-OG 3.04Å; S447-V450 PolarHBondContact O-N 3.3Å; S447-T451 WeakPolarHBondContact O-CB 3.48Å; S447-T451 PolarHBondContact O-N 3.47Å; S447-T451 PolarHBondContact O-OG1 3.05Å
448K96.4Very high94.9Very high176 Ų17664.2 Ų64.277%0.76534%0.337SS*.Hα-helixtrans-64-43.5175.3-67.9-177.4-178.6175.50112.1L446 T451 L452L446-K448 VanDerWaalsContact C-N 3.26Å; L446-K448 PolarHBondContact O-N 3.08Å; L446-K448 VanDerWaalsContact O-N 3.13Å; K448-T451 PolarHBondContact O-N 2.92Å; K448-L452 WeakPolarHBondContact O-CG 3.49Å; K448-L452 PolarHBondContact O-N 3.31Å
449K97.6Very high94.8Very high29 Ų2966.3 Ų66.313%0.12634%0.342CS..Hα-helixtrans-68-39.8178.7-71.5-177.8178.1172.30111.7F410 D412 T414 L416 Y427 L446 L452 L453F410-K449 HydrophobicContact CD1-CG 4.27Å; F410-K449 HydrophobicContact CD2-CD 3.91Å; F410-K449 HydrophobicContact CD2-CG 4.21Å; F410-K449 HydrophobicContact CE1-CB 4.08Å; F410-K449 HydrophobicContact CE1-CG 3.89Å; F410-K449 HydrophobicContact CE2-CB 3.81Å; F410-K449 HydrophobicContact CE2-CD 3.83Å; F410-K449 HydrophobicContact CE2-CG 3.82Å; F410-K449 HydrophobicContact CG-CD 4.37Å; F410-K449 HydrophobicContact CG-CG 4.43Å; F410-K449 HydrophobicContact CZ-CB 3.47Å; F410-K449 VanDerWaalsContact CZ-CB 3.47Å; F410-K449 HydrophobicContact CZ-CD 4.21Å; F410-K449 HydrophobicContact CZ-CG 3.66Å; D412-K449 IonicContact OD1-NZ 3.71Å; D412-K449 WeakPolarHBondContact OD2-CE 3.33Å; D412-K449 IonicContact OD2-NZ 3.59Å; D412-K449 PolarHBondContact OD2-NZ 3.1Å; T414-K449 WeakPolarHBondContact OG1-CE 3.48Å; T414-K449 PolarHBondContact OG1-NZ 3.06Å; L416-K449 HydrophobicContact CD2-CB 4.14Å; Y427-K449 HydrophobicContact CE2-CD 4.14Å; Y427-K449 PolarHBondContact OH-NZ 2.89Å; L446-K449 HydrophobicContact CD2-CD 4.19Å; L446-K449 WeakPolarHBondContact O-CA 3.3Å; L446-K449 WeakPolarHBondContact O-CB 3.29Å; L446-K449 PolarHBondContact O-N 3.2Å; K449-L452 PolarHBondContact O-N 2.97Å; K449-L453 WeakPolarHBondContact O-CB 3.48Å; K449-L453 PolarHBondContact O-N 3.11Å
450V97.3Very high94.7Very high11 Ų1164 Ų647%0.06733%0.33CS..Hα-helixtrans-63.6-42174.3174.60000111.3L416 L425 L439 L446 S447 L453 T454L416-V450 HydrophobicContact CD2-CG2 3.91Å; L425-V450 HydrophobicContact CD1-CG2 3.76Å; L439-V450 HydrophobicContact CD2-CG1 3.8Å; L446-V450 HydrophobicContact CB-CG2 4.37Å; L446-V450 WeakPolarHBondContact O-CG2 3.13Å; L446-V450 PolarHBondContact O-N 3.43Å; S447-V450 PolarHBondContact O-N 3.3Å; V450-L453 PolarHBondContact O-N 2.92Å; V450-T454 PolarHBondContact O-N 3.02Å; V450-T454 PolarHBondContact O-OG1 3.45Å
451T97Very high94.4Very high85 Ų8565.3 Ų65.352%0.52133%0.325SS..Hα-helixtrans-60.5-47.6174.4-57.40000110.8S447 K448 L453 T454 C455S447-T451 WeakPolarHBondContact O-CB 3.48Å; S447-T451 PolarHBondContact O-N 3.47Å; S447-T451 PolarHBondContact O-OG1 3.05Å; K448-T451 PolarHBondContact O-N 2.92Å; T451-L453 PolarHBondContact O-N 2.97Å; T451-T454 WeakPolarHBondContact O-CB 3.4Å; T451-T454 PolarHBondContact O-N 3.25Å; T451-C455 PolarHBondContact O-N 2.89Å; T451-C455 PolarHBondContact O-SG 3.08Å
452L96.7Very high94Very high33 Ų3363.4 Ų63.417%0.17332%0.319CS..Hα-helixtrans-61.9-43177.7-73170.8000112.7Y395 F410 K448 K449 T454 C455 F456Y395-L452 HydrophobicContact CD1-CD1 3.66Å; Y395-L452 HydrophobicContact CD1-CD2 3.83Å; Y395-L452 HydrophobicContact CD1-CG 4.43Å; Y395-L452 HydrophobicContact CD2-CD2 3.83Å; Y395-L452 HydrophobicContact CE1-CD1 4.16Å; Y395-L452 HydrophobicContact CE1-CD2 3.87Å; Y395-L452 HydrophobicContact CE2-CD2 3.85Å; Y395-L452 HydrophobicContact CG-CD1 4.07Å; Y395-L452 HydrophobicContact CG-CD2 3.82Å; F410-L452 HydrophobicContact CD1-CD1 4.45Å; F410-L452 HydrophobicContact CE1-CB 4.06Å; F410-L452 HydrophobicContact CE1-CD1 3.91Å; K448-L452 WeakPolarHBondContact O-CG 3.49Å; K448-L452 PolarHBondContact O-N 3.31Å; K449-L452 PolarHBondContact O-N 2.97Å; L452-T454 VanDerWaalsContact C-N 3.27Å; L452-T454 PolarHBondContact O-N 3.43Å; L452-C455 WeakPolarHBondContact O-CB 3.3Å; L452-C455 PolarHBondContact O-N 3.31Å; L452-C455 VanDerWaalsContact O-N 3.15Å; L452-F456 VanDerWaalsContact O-CD2 3.24Å; L452-F456 WeakPolarHBondContact O-CD2 3.35Å; L452-F456 PolarHBondContact O-N 3.28Å
453L96.6Very high93.3Very high2 Ų263.9 Ų63.91%0.0132%0.323CS..Hα-helixtrans-55.3-45.4173.3176.169.7000111.2V408 L416 L418 L425 K449 V450 T451 C455 F456 K457V408-L453 HydrophobicContact CG2-CB 4.3Å; V408-L453 HydrophobicContact CG2-CD1 3.65Å; L416-L453 HydrophobicContact CD2-CB 4.18Å; L416-L453 HydrophobicContact CD2-CD2 3.87Å; L416-L453 HydrophobicContact CG-CD2 3.95Å; L418-L453 HydrophobicContact CB-CD2 3.83Å; L425-L453 HydrophobicContact CD2-CD2 3.59Å; K449-L453 WeakPolarHBondContact O-CB 3.48Å; K449-L453 PolarHBondContact O-N 3.11Å; V450-L453 PolarHBondContact O-N 2.92Å; T451-L453 PolarHBondContact O-N 2.97Å; L453-C455 VanDerWaalsContact C-N 3.35Å; L453-C455 PolarHBondContact O-N 2.89Å; L453-F456 PolarHBondContact O-N 3.05Å; L453-K457 WeakPolarHBondContact O-CB 3.36Å; L453-K457 PolarHBondContact O-N 3.21Å
454T95.1Very high92.5Very high69 Ų6962.3 Ų62.342%0.42331%0.313SS..Hα-helixtrans-63.7-40.3177.4-53.60000111.5V450 T451 L452 K457 A458V450-T454 PolarHBondContact O-N 3.02Å; V450-T454 PolarHBondContact O-OG1 3.45Å; T451-T454 WeakPolarHBondContact O-CB 3.4Å; T451-T454 PolarHBondContact O-N 3.25Å; L452-T454 VanDerWaalsContact C-N 3.27Å; L452-T454 PolarHBondContact O-N 3.43Å; T454-K457 PolarHBondContact O-N 3.47Å; T454-A458 WeakPolarHBondContact O-CB 3.47Å; T454-A458 PolarHBondContact O-N 3.18Å
455C94.7Very high91.4Very high72 Ų7257.3 Ų57.349%0.48629%0.292SS..Hα-helixtrans-63.1-47.3174.3-67.10000112.3T451 L452 L453 K457 A458 Y459T451-C455 PolarHBondContact O-N 2.89Å; T451-C455 PolarHBondContact O-SG 3.08Å; L452-C455 WeakPolarHBondContact O-CB 3.3Å; L452-C455 PolarHBondContact O-N 3.31Å; L452-C455 VanDerWaalsContact O-N 3.15Å; L453-C455 VanDerWaalsContact C-N 3.35Å; L453-C455 PolarHBondContact O-N 2.89Å; C455-K457 VanDerWaalsContact C-N 3.35Å; C455-K457 PolarHBondContact O-N 3.38Å; C455-A458 PolarHBondContact O-N 2.94Å; C455-Y459 WeakPolarHBondContact O-CB 3.38Å; C455-Y459 PolarHBondContact O-N 3.49Å
456F94.4Very high89.9Confident11 Ų1159.9 Ų59.95%0.04831%0.305CS..Hα-helixtrans-59.7-44.8176-85.2-68.1000111.6V389 V408 L452 L453 Y459 M460V389-F456 HydrophobicContact CB-CD1 4.1Å; V389-F456 HydrophobicContact CB-CE1 4.21Å; V389-F456 HydrophobicContact CG1-CD1 4.21Å; V389-F456 HydrophobicContact CG1-CE1 4.08Å; V408-F456 HydrophobicContact CG1-CD2 4.16Å; V408-F456 HydrophobicContact CG1-CE2 3.91Å; V408-F456 HydrophobicContact CG2-CB 4.29Å; V408-F456 HydrophobicContact CG2-CD2 3.6Å; V408-F456 HydrophobicContact CG2-CE2 4.21Å; V408-F456 HydrophobicContact CG2-CG 4.18Å; L452-F456 VanDerWaalsContact O-CD2 3.24Å; L452-F456 WeakPolarHBondContact O-CD2 3.35Å; L452-F456 PolarHBondContact O-N 3.28Å; L453-F456 PolarHBondContact O-N 3.05Å; F456-Y459 PolarHBondContact O-N 2.83Å; F456-M460 HydrophobicContact CB-CE 4.16Å; F456-M460 WeakPolarHBondContact O-CB 3.46Å; F456-M460 WeakPolarHBondContact O-CE 3.41Å; F456-M460 WeakPolarHBondContact O-CG 3.37Å; F456-M460 PolarHBondContact O-N 3.13Å
457K92.9Very high87.7Confident44 Ų4462.1 Ų62.119%0.19132%0.323CS..Hα-helixtrans-56.6-54.3175178.1-169.9177.5-1580111.1Y406 L418 E422 L453 T454 C455 Y459 M460 H461Y406-K457 HydrophobicContact CD1-CB 4.21Å; Y406-K457 HydrophobicContact CD1-CG 4.09Å; Y406-K457 HydrophobicContact CD2-CD 4.29Å; Y406-K457 HydrophobicContact CD2-CG 4.15Å; Y406-K457 HydrophobicContact CE1-CB 4.32Å; Y406-K457 HydrophobicContact CE1-CG 3.81Å; Y406-K457 HydrophobicContact CE2-CD 4.08Å; Y406-K457 HydrophobicContact CE2-CG 3.88Å; Y406-K457 HydrophobicContact CG-CB 4.43Å; Y406-K457 HydrophobicContact CG-CG 4.26Å; L418-K457 HydrophobicContact CD2-CD 4.21Å; E422-K457 WeakPolarHBondContact OE1-CE 3.38Å; E422-K457 IonicContact OE1-NZ 3.52Å; E422-K457 PolarHBondContact OE1-NZ 3.21Å; E422-K457 IonicContact OE2-NZ 3.67Å; E422-K457 PolarHBondContact OE2-NZ 2.92Å; L453-K457 WeakPolarHBondContact O-CB 3.36Å; L453-K457 PolarHBondContact O-N 3.21Å; T454-K457 PolarHBondContact O-N 3.47Å; C455-K457 VanDerWaalsContact C-N 3.35Å; C455-K457 PolarHBondContact O-N 3.38Å; K457-Y459 VanDerWaalsContact C-N 3.31Å; K457-Y459 PolarHBondContact O-N 3.2Å; K457-M460 PolarHBondContact O-N 3.41Å; K457-H461 WeakPolarHBondContact O-CB 3.44Å; K457-H461 PolarHBondContact O-N 3.22Å
458A91.7Very high85.3Confident40 Ų4063.2 Ų63.233%0.33134%0.342SS..Hα-helixtrans-58.2-44.6-179.500000111.3T454 C455 H461 Q462T454-A458 WeakPolarHBondContact O-CB 3.47Å; T454-A458 PolarHBondContact O-N 3.18Å; C455-A458 PolarHBondContact O-N 2.94Å; A458-H461 PolarHBondContact O-N 2.76Å; A458-Q462 WeakPolarHBondContact O-CB 3.48Å; A458-Q462 VanDerWaalsContact O-CG 3.23Å; A458-Q462 WeakPolarHBondContact O-CG 3.03Å; A458-Q462 PolarHBondContact O-N 2.87Å
459Y89.8Confident82.8Confident77 Ų7762.6 Ų62.630%0.30234%0.342SS..Hα-helixtrans-60.8-47.9176.9-179.8-84.5000112.5V389 C455 F456 K457 H461 Q462 N463 L464V389-Y459 HydrophobicContact CB-CD1 4.46Å; V389-Y459 HydrophobicContact CB-CE1 4.46Å; V389-Y459 HydrophobicContact CG1-CD1 4.04Å; V389-Y459 HydrophobicContact CG1-CE1 3.86Å; V389-Y459 HydrophobicContact CG2-CD1 3.58Å; V389-Y459 HydrophobicContact CG2-CE1 3.69Å; C455-Y459 WeakPolarHBondContact O-CB 3.38Å; C455-Y459 PolarHBondContact O-N 3.49Å; F456-Y459 PolarHBondContact O-N 2.83Å; K457-Y459 VanDerWaalsContact C-N 3.31Å; K457-Y459 PolarHBondContact O-N 3.2Å; Y459-H461 VanDerWaalsContact C-N 3.29Å; Y459-H461 PolarHBondContact O-N 2.87Å; Y459-Q462 PolarHBondContact O-N 3.47Å; Y459-N463 VanDerWaalsContact CD2-ND2 3.34Å; Y459-N463 WeakPolarHBondContact CD2-ND2 3.24Å; Y459-N463 HydrophobicContact CE1-CB 4.36Å; Y459-N463 WeakPolarHBondContact O-CB 3.25Å; Y459-N463 PolarHBondContact O-N 3.44Å; Y459-N463 PolarHBondContact O-ND2 3.36Å; Y459-L464 HydrophobicContact CE1-CD2 4.42Å
460M88.6Confident79.7Confident1 Ų169.2 Ų69.21%0.00538%0.379CS..Hα-helixtrans-64.5-33.6179.1-77.2-172.9-82.600113K387 V389 Q400 Y406 F456 K457 L464K387-M460 HydrophobicContact CB-SD 4.2Å; K387-M460 PolarHBondContact NZ-O 3.32Å; V389-M460 HydrophobicContact CG2-CG 3.41Å; V389-M460 VanDerWaalsContact CG2-CG 3.41Å; V389-M460 HydrophobicContact CG2-SD 4.17Å; Q400-M460 HydrophobicContact CB-SD 4.07Å; Y406-M460 HydrophobicContact CD1-CE 3.84Å; Y406-M460 HydrophobicContact CE1-CE 4.42Å; F456-M460 HydrophobicContact CB-CE 4.16Å; F456-M460 WeakPolarHBondContact O-CB 3.46Å; F456-M460 WeakPolarHBondContact O-CE 3.41Å; F456-M460 WeakPolarHBondContact O-CG 3.37Å; F456-M460 PolarHBondContact O-N 3.13Å; K457-M460 PolarHBondContact O-N 3.41Å; M460-L464 HydrophobicContact CB-CD1 4.27Å; M460-L464 HydrophobicContact CG-CD1 3.9Å; M460-L464 WeakPolarHBondContact O-CB 3.24Å
461H85.3Confident77.1Confident122 Ų12272.8 Ų72.857%0.56540%0.396SS*.Hα-helixtrans-70.3-43176.5-17182.3000111.7K457 A458 Y459K457-H461 WeakPolarHBondContact O-CB 3.44Å; K457-H461 PolarHBondContact O-N 3.22Å; A458-H461 PolarHBondContact O-N 2.76Å; Y459-H461 VanDerWaalsContact C-N 3.29Å; Y459-H461 PolarHBondContact O-N 2.87Å
462Q84Confident74.5Confident129 Ų12972.2 Ų72.260%0.60340%0.401SS*.Hα-helixtrans-77.4-39.8-175.4-70.9171.34.800113.3A458 Y459A458-Q462 WeakPolarHBondContact O-CB 3.48Å; A458-Q462 VanDerWaalsContact O-CG 3.23Å; A458-Q462 WeakPolarHBondContact O-CG 3.03Å; A458-Q462 PolarHBondContact O-N 2.87Å; Y459-Q462 PolarHBondContact O-N 3.47Å
463N79.9Confident72.1Confident60 Ų6081.5 Ų81.532%0.32143%0.433SS..Hα-helixtrans-105.4-18.3-164-61.8-75.8000114.6Y459 Q598Y459-N463 VanDerWaalsContact CD2-ND2 3.34Å; Y459-N463 WeakPolarHBondContact CD2-ND2 3.24Å; Y459-N463 HydrophobicContact CE1-CB 4.36Å; Y459-N463 WeakPolarHBondContact O-CB 3.25Å; Y459-N463 PolarHBondContact O-N 3.44Å; Y459-N463 PolarHBondContact O-ND2 3.36Å; N463-Q598 PolarHBondContact O-N 2.97Å
464L79.2Confident69.8Low3 Ų383.5 Ų83.52%0.01645%0.446CS..BIsolated β-bridgetrans-112.7142.3-168.9-48.9-169.9000111.2K387 V389 Y459 M460 S594 A595K387-L464 HydrophobicContact CB-CD1 4.05Å; K387-L464 HydrophobicContact CD-CB 3.76Å; K387-L464 HydrophobicContact CD-CD1 4.07Å; K387-L464 PolarHBondContact NZ-O 2.92Å; V389-L464 HydrophobicContact CG2-CD1 4.08Å; Y459-L464 HydrophobicContact CE1-CD2 4.42Å; M460-L464 HydrophobicContact CB-CD1 4.27Å; M460-L464 HydrophobicContact CG-CD1 3.9Å; M460-L464 WeakPolarHBondContact O-CB 3.24Å; L464-S594 VanDerWaalsContact CD2-OG 3.31Å; L464-S594 WeakPolarHBondContact CD2-OG 3.32Å; L464-A595 VanDerWaalsContact CD2-O 3.26Å; L464-A595 WeakPolarHBondContact CD2-O 3.36Å
465L73.4Confident67.4Low68 Ų6888.2 Ų88.236%0.35647%0.469SS..  trans-56.1143.1177.9-69.6171.5000111.5K387 A467 D596 Q598K387-L465 WeakPolarHBondContact CE-O 3.37Å; K387-L465 PolarHBondContact NZ-O 2.88Å; L465-A467 PolarHBondContact O-N 2.84Å; L465-D596 HydrophobicContact CD1-CB 4.27Å; L465-D596 PolarHBondContact N-O 3.33Å; L465-Q598 HydrophobicContact CD2-CG 3.98Å; L465-Q598 HydrophobicContact CG-CG 4.4Å
466K63.3Low65.6Low181 Ų18186.9 Ų86.979%0.78746%0.459SS*.  trans-66.2127.1169.3-72.8-176.3-180178.90108.4
467A51.2Low64.2Low46 Ų4687.3 Ų87.338%0.3846%0.461SS..  trans-123.9115.8172.100000107.4L465L465-A467 PolarHBondContact O-N 2.84Å
468G47Very low63Low68 Ų6888.5 Ų88.570%0.70148%0.48SS*.SBendtrans117.6149.517600000115.2
469E43.7Very low62.4Low164 Ų16487.2 Ų87.277%0.76647%0.467SS*.  trans-80.2155.6179.4-66.1179.9159.700111.8I471E469-I471 PolarHBondContact O-N 2.97Å
470N32.2Very low62.1Low168 Ų16884.6 Ų84.690%0.89846%0.459SS*.  trans-61.197.4173.8-72.2-34.1000110.5
471I42.4Very low62.1Low85 Ų8587.7 Ų87.744%0.43647%0.471SS..  trans-78.9127.3169.3-62.4173.3000108E469E469-I471 PolarHBondContact O-N 2.97Å
472A42Very low62.4Low74 Ų7482 Ų8261%0.61244%0.444SS*.  trans-56.1146178.300000112P474A472-P474 VanDerWaalsContact O-CD 3.3Å; A472-P474 WeakPolarHBondContact O-CD 3.42Å
473R47.6Very low62.8Low228 Ų22875.9 Ų75.986%0.8642%0.416SS*.  trans-90.7109.7-177.2-56.3173.4-177.7-176-1.9110.2
474P47.7Very low63.4Low43 Ų4375.3 Ų75.328%0.27941%0.41SS..  trans-90.6138.5170.2-3.624.6000110.5V287 A472 T476V287-P474 HydrophobicContact CG2-CG 4.07Å; A472-P474 VanDerWaalsContact O-CD 3.3Å; A472-P474 WeakPolarHBondContact O-CD 3.42Å; P474-T476 PolarHBondContact O-N 3.49Å; P474-T476 VanDerWaalsContact O-N 3.14Å
475D45.1Very low64.3Low169 Ų16975.2 Ų75.290%0.90441%0.41SS*.SBendtrans-67.4-5.8-178-78.1-35.2000115.2D477D475-D477 PolarHBondContact O-N 3.03Å
476T56.3Low65.2Low44 Ų4473.9 Ų73.927%0.2740%0.4SS..  trans-80.442.3-171.7-26.40000113.7P474 A478 M479P474-T476 PolarHBondContact O-N 3.49Å; P474-T476 VanDerWaalsContact O-N 3.14Å; T476-A478 VanDerWaalsContact C-N 3.31Å; T476-A478 PolarHBondContact O-N 3.27Å; T476-M479 HydrophobicContact CG2-CE 3.43Å; T476-M479 VanDerWaalsContact CG2-CE 3.43Å
477D65.2Low66.7Low19 Ų1969.8 Ų69.810%0.10238%0.38CS..G310 helixtrans-75.1-17.7-165.4-156.529000114.4T419 N421 N424 D475 M479 T480T419-D477 WeakPolarHBondContact CB-OD2 3.34Å; T419-D477 PolarHBondContact OG1-OD2 3.41Å; N421-D477 PolarHBondContact ND2-OD2 2.87Å; N421-D477 PolarHBondContact OD1-OD2 2.94Å; N424-D477 PolarHBondContact ND2-OD2 3.15Å; D475-D477 PolarHBondContact O-N 3.03Å; D477-M479 PolarHBondContact O-N 3.19Å; D477-T480 WeakPolarHBondContact CA-OG1 3.22Å; D477-T480 WeakPolarHBondContact O-CB 3.43Å; D477-T480 PolarHBondContact O-N 3.17Å; D477-T480 PolarHBondContact O-OG1 3.24Å; D477-T480 VanDerWaalsContact OD1-CB 3.3Å; D477-T480 WeakPolarHBondContact OD1-CB 3.41Å; D477-T480 PolarHBondContact OD1-OG1 3.24Å
478A67.8Low68.8Low70 Ų7070.4 Ų70.458%0.57937%0.372SS*.G310 helixtrans-66.3-25.1-178.900000113.8T476T476-A478 VanDerWaalsContact C-N 3.31Å; T476-A478 PolarHBondContact O-N 3.27Å
479M79.1Confident71.1Confident13 Ų1369.2 Ų69.26%0.06435%0.348CS..G310 helixtrans-98.7-4.6179-69.4-175.8-81.600112.9P282 G284 P286 P294 R295 F296 M299 T476 D477 R481P282-M479 HydrophobicContact CB-CE 3.95Å; P282-M479 HydrophobicContact CB-SD 3.88Å; G284-M479 WeakPolarHBondContact O-CE 3.32Å; P286-M479 HydrophobicContact CG-CB 3.98Å; P294-M479 HydrophobicContact CB-CB 4.4Å; R295-M479 PolarHBondContact N-O 3.42Å; R295-M479 VanDerWaalsContact O-CG 3.31Å; R295-M479 WeakPolarHBondContact O-CG 3.4Å; F296-M479 HydrophobicContact CD1-SD 4.35Å; F296-M479 HydrophobicContact CE1-SD 3.99Å; M299-M479 HydrophobicContact CE-CG 3.78Å; M299-M479 HydrophobicContact CE-SD 3.43Å; M299-M479 WeakPolarHBondContact CE-SD 3.31Å; M299-M479 HydrophobicContact SD-CG 4.39Å; M299-M479 HydrophobicContact SD-SD 4.2Å; T476-M479 HydrophobicContact CG2-CE 3.43Å; T476-M479 VanDerWaalsContact CG2-CE 3.43Å; D477-M479 PolarHBondContact O-N 3.19Å; M479-R481 PolarHBondContact O-N 3.39Å
480T84.2Confident73.5Confident22 Ų2264.3 Ų64.314%0.13532%0.322CS..  trans-61129.8-175.8-59.70000110.3T419 D477 L482T419-T480 HydrophobicContact CG2-CG2 4.35Å; D477-T480 WeakPolarHBondContact CA-OG1 3.22Å; D477-T480 WeakPolarHBondContact O-CB 3.43Å; D477-T480 PolarHBondContact O-N 3.17Å; D477-T480 PolarHBondContact O-OG1 3.24Å; D477-T480 VanDerWaalsContact OD1-CB 3.3Å; D477-T480 WeakPolarHBondContact OD1-CB 3.41Å; D477-T480 PolarHBondContact OD1-OG1 3.24Å; T480-L482 HydrophobicContact CG2-CD2 4.06Å; T480-L482 HydrophobicContact CG2-CG 4.07Å
481R88.2Confident76.6Confident66 Ų6657.5 Ų57.525%0.24929%0.287CS..  trans-127.4103.3168-174.8-179.7-95149-9.4108.8S288 T292 C293 R295 E434 M479S288-R481 WeakPolarHBondContact CB-O 3.45Å; S288-R481 PolarHBondContact OG-N 2.96Å; T292-R481 WeakPolarHBondContact CB-O 3.27Å; T292-R481 PolarHBondContact OG1-O 2.94Å; C293-R481 WeakPolarHBondContact O-CB 3.48Å; C293-R481 WeakPolarHBondContact O-CD 3.2Å; C293-R481 PolarHBondContact O-NH1 2.8Å; R295-R481 VanDerWaalsContact CD-NH2 3.27Å; R295-R481 HydrophobicContact CG-CB 4.02Å; E434-R481 IonicContact OE1-NE 2.75Å; E434-R481 PolarHBondContact OE1-NE 2.75Å; E434-R481 IonicContact OE2-CZ 3.7Å; E434-R481 IonicContact OE2-NE 3.17Å; E434-R481 PolarHBondContact OE2-NE 3.43Å; E434-R481 IonicContact OE2-NH2 2.82Å; E434-R481 PolarHBondContact OE2-NH2 3.42Å; M479-R481 PolarHBondContact O-N 3.39Å
482L90.1Very high79.1Confident3 Ų362.8 Ų62.82%0.01630%0.301CS..  trans-74.6145.3179.6-65171.9000111Y383 S405 L417 T419 T480 F484Y383-L482 HydrophobicContact CE1-CD2 3.83Å; S405-L482 VanDerWaalsContact CB-CD1 3.45Å; L417-L482 HydrophobicContact CD2-CB 3.88Å; L417-L482 HydrophobicContact CD2-CD1 4.46Å; T419-L482 HydrophobicContact CG2-CD1 4.16Å; T480-L482 HydrophobicContact CG2-CD2 4.06Å; T480-L482 HydrophobicContact CG2-CG 4.07Å; L482-F484 PolarHBondContact O-N 3.04Å
483P92.4Very high81.6Confident0 Ų062.3 Ų62.30%029%0.293CS..  trans-66.9132.5165.428.8-31.2000109.1T292 Y383 L401 S500 N501T292-P483 HydrophobicContact CG2-CB 4.1Å; Y383-P483 HydrophobicContact CD1-CG 4.12Å; Y383-P483 HydrophobicContact CD2-CG 3.66Å; Y383-P483 HydrophobicContact CE2-CG 4.4Å; Y383-P483 HydrophobicContact CG-CG 3.5Å; L401-P483 HydrophobicContact CD1-CG 4.3Å; P483-S500 WeakPolarHBondContact CA-OG 3.36Å; P483-N501 HydrophobicContact CB-CB 4.14Å
484F94.5Very high84Confident48 Ų4851.4 Ų51.421%0.21125%0.252CS..  trans-106.3155.418061.2-95.5000110.7L417 I428 L482 R486 L499 S500L417-F484 HydrophobicContact CD1-CB 3.91Å; L417-F484 HydrophobicContact CD2-CB 3.87Å; L417-F484 HydrophobicContact CG-CB 4.46Å; I428-F484 HydrophobicContact CD1-CB 3.96Å; I428-F484 HydrophobicContact CD1-CD1 3.25Å; I428-F484 HydrophobicContact CD1-CD2 4.1Å; I428-F484 HydrophobicContact CD1-CE1 3.63Å; I428-F484 HydrophobicContact CD1-CE2 4.4Å; I428-F484 HydrophobicContact CD1-CG 3.51Å; I428-F484 HydrophobicContact CD1-CZ 4.19Å; L482-F484 PolarHBondContact O-N 3.04Å; F484-R486 HydrophobicContact CE2-CB 4.33Å; F484-R486 PolarHBondContact O-N 2.77Å; F484-R486 VanDerWaalsContact O-N 3.12Å; F484-L499 CarbonylContact O-C 3.51Å; F484-L499 WeakPolarHBondContact O-CA 3.4Å; F484-S500 VanDerWaalsContact CD1-OG 3.32Å; F484-S500 WeakPolarHBondContact CD1-OG 3.36Å; F484-S500 VanDerWaalsContact CE1-CB 3.46Å; F484-S500 PolarHBondContact N-OG 2.8Å; F484-S500 WeakPolarHBondContact O-CB 3.28Å; F484-S500 PolarHBondContact O-N 3.44Å
485L96.2Very high86.4Confident0 Ų049.4 Ų49.40%024%0.239CC..EExtended strand (participates in β ladder)trans-71.7107.2175.3-171.667.4000110.7L397 Y399 V409 R415 W488 L497 L499L397-L485 HydrophobicContact CD2-CD2 3.26Å; Y399-L485 HydrophobicContact CD1-CB 4.33Å; Y399-L485 HydrophobicContact CD1-CD2 4.21Å; Y399-L485 HydrophobicContact CE1-CB 3.77Å; Y399-L485 HydrophobicContact CE1-CD2 4.37Å; Y399-L485 HydrophobicContact CE2-CB 4.41Å; Y399-L485 PolarHBondContact OH-N 2.69Å; V409-L485 HydrophobicContact CG2-CB 3.77Å; V409-L485 HydrophobicContact CG2-CD2 3.95Å; V409-L485 HydrophobicContact CG2-CG 4.17Å; R415-L485 WeakPolarHBondContact CD-O 3.47Å; R415-L485 PolarHBondContact NE-O 2.73Å; L485-W488 HydrophobicContact CD1-CB 4.45Å; L485-W488 HydrophobicContact CD2-CB 3.89Å; L485-W488 HydrophobicContact CD2-CG 4.01Å; L485-W488 HydrophobicContact CG-CB 4.29Å; L485-L497 HydrophobicContact CD1-CB 3.77Å; L485-L497 HydrophobicContact CD1-CD2 3.97Å; L485-L497 HydrophobicContact CD1-CG 4.5Å; L485-L497 HydrophobicContact CD2-CD2 3.85Å; L485-L499 HydrophobicContact CB-CD2 4.33Å; L485-L499 HydrophobicContact CD1-CD2 4.08Å
486R93.7Very high88.9Confident40 Ų4041.3 Ų41.315%0.15120%0.196CC..EExtended strand (participates in β ladder)trans-76-53-176.7-170.4179.280.6109.9-6.9111.3D342 D343 C344 R415 F484 H498D342-R486 PolarHBondContact O-NH1 2.99Å; D343-R486 PolarHBondContact O-NH2 2.93Å; C344-R486 WeakPolarHBondContact SG-CD 3.24Å; R415-R486 PolarHBondContact NH2-O 3.5Å; F484-R486 HydrophobicContact CE2-CB 4.33Å; F484-R486 PolarHBondContact O-N 2.77Å; F484-R486 VanDerWaalsContact O-N 3.12Å; R486-H498 WeakPolarHBondContact CA-O 3.32Å; R486-H498 WeakPolarHBondContact CB-O 3Å; R486-H498 PolarHBondContact N-O 3.37Å; R486-H498 PolarHBondContact NE-CE1 3Å; R486-H498 PolarHBondContact NE-ND1 3.07Å; R486-H498 PolarHBondContact NH2-CE1 3.07Å; R486-H498 VanDerWaalsContact NH2-CE1 3.32Å; R486-H498 PolarHBondContact NH2-ND1 3.28Å
487R93.6Very high90.9Very high95 Ų9539.2 Ų39.236%0.35818%0.183SC..EExtended strand (participates in β ladder)trans-136.9148.7180-67-174.8179.7-169.1-7.7109.4H498 L564R487-H498 HydrophobicContact CB-CB 4.38Å; R487-H498 PolarHBondContact N-O 2.87Å; R487-H498 PolarHBondContact O-N 3.02Å; R487-L564 HydrophobicContact CB-CD2 3.87Å; R487-L564 PolarHBondContact NH1-O 2.89Å
488W96.2Very high92.4Very high59 Ų5938.3 Ų38.322%0.22318%0.178CC..EExtended strand (participates in β ladder)trans-153.7154.7172.171-81.4000110.1L397 L485 R490 I495 V496 L497L397-W488 HydrophobicContact CB-CD2 4.21Å; L397-W488 HydrophobicContact CB-CH2 4.22Å; L397-W488 HydrophobicContact CB-CZ2 3.7Å; L397-W488 HydrophobicContact CD1-CD2 4.42Å; L397-W488 HydrophobicContact CD1-CE3 4.12Å; L397-W488 HydrophobicContact CD1-CH2 4.15Å; L397-W488 HydrophobicContact CD1-CZ2 4.45Å; L397-W488 HydrophobicContact CD1-CZ3 3.97Å; L397-W488 HydrophobicContact CD2-CB 4.41Å; L397-W488 HydrophobicContact CD2-CD2 3.79Å; L397-W488 HydrophobicContact CD2-CE3 4.14Å; L397-W488 HydrophobicContact CD2-CG 3.88Å; L397-W488 HydrophobicContact CG-CD2 4.37Å; L485-W488 HydrophobicContact CD1-CB 4.45Å; L485-W488 HydrophobicContact CD2-CB 3.89Å; L485-W488 HydrophobicContact CD2-CG 4.01Å; L485-W488 HydrophobicContact CG-CB 4.29Å; W488-R490 HydrophobicContact CZ3-CG 4.09Å; W488-I495 HydrophobicContact CE3-CD1 4.16Å; W488-I495 HydrophobicContact CZ3-CD1 4.48Å; W488-V496 WeakPolarHBondContact CA-O 3.27Å; W488-V496 WeakPolarHBondContact CB-O 3.19Å; W488-L497 HydrophobicContact CB-CD2 3.92Å
489F95.5Very high93.7Very high43 Ų4335 Ų3519%0.18915%0.151CC..EExtended strand (participates in β ladder)trans-159.8167.7169.563.1-86.7000109.7T491 V496 M560 R563 L564F489-T491 HydrophobicContact CD2-CG2 4.09Å; F489-T491 HydrophobicContact CE2-CG2 3.76Å; F489-V496 HydrophobicContact CD1-CB 4.12Å; F489-V496 HydrophobicContact CD1-CG1 4.43Å; F489-V496 HydrophobicContact CD2-CB 4.46Å; F489-V496 HydrophobicContact CD2-CG2 4.39Å; F489-V496 HydrophobicContact CE1-CB 3.72Å; F489-V496 HydrophobicContact CE1-CG1 3.71Å; F489-V496 HydrophobicContact CE1-CG2 4.16Å; F489-V496 HydrophobicContact CE2-CB 4.11Å; F489-V496 HydrophobicContact CE2-CG2 3.74Å; F489-V496 HydrophobicContact CG-CB 4.47Å; F489-V496 HydrophobicContact CZ-CB 3.72Å; F489-V496 HydrophobicContact CZ-CG1 3.91Å; F489-V496 HydrophobicContact CZ-CG2 3.61Å; F489-V496 PolarHBondContact N-O 2.7Å; F489-V496 VanDerWaalsContact N-O 3.11Å; F489-V496 PolarHBondContact O-N 3.09Å; F489-M560 HydrophobicContact CE2-SD 3.56Å; F489-M560 VanDerWaalsContact CE2-SD 3.56Å; F489-M560 HydrophobicContact CZ-CB 4.16Å; F489-M560 HydrophobicContact CZ-CG 4.36Å; F489-M560 HydrophobicContact CZ-SD 3.67Å; F489-R563 HydrophobicContact CZ-CB 4.22Å; F489-L564 HydrophobicContact CD1-CD2 4Å; F489-L564 HydrophobicContact CE1-CD2 3.64Å; F489-L564 HydrophobicContact CE1-CG 3.82Å
490R94.4Very high94.4Very high62 Ų6234.9 Ų34.923%0.23415%0.151CC..EExtended strand (participates in β ladder)trans-116.7147.7176.8-67.7179.866.9151.45.8111D390 W488 I495D390-R490 WeakPolarHBondContact OD2-CD 3.36Å; D390-R490 IonicContact OD2-CZ 3.55Å; D390-R490 IonicContact OD2-NE 3.57Å; D390-R490 IonicContact OD2-NH1 2.64Å; D390-R490 PolarHBondContact OD2-NH1 3.33Å; W488-R490 HydrophobicContact CZ3-CG 4.09Å; R490-I495 HydrophobicContact CG-CB 4.08Å; R490-I495 HydrophobicContact CG-CD1 4.05Å; R490-I495 HydrophobicContact CG-CG1 3.85Å
491T95.6Very high94.7Very high25 Ų2534.9 Ų34.915%0.15315%0.15CC..  trans-117.5-174.2166.572.20000108.9F489 S493 A494 F509 Y556 M560F489-T491 HydrophobicContact CD2-CG2 4.09Å; F489-T491 HydrophobicContact CE2-CG2 3.76Å; T491-S493 VanDerWaalsContact C-N 3.25Å; T491-S493 PolarHBondContact O-N 3.28Å; T491-S493 PolarHBondContact OG1-N 2.95Å; T491-S493 VanDerWaalsContact OG1-N 3.14Å; T491-A494 PolarHBondContact N-O 2.69Å; T491-A494 PolarHBondContact OG1-N 2.93Å; T491-A494 VanDerWaalsContact OG1-N 3.07Å; T491-A494 PolarHBondContact OG1-O 3.27Å; T491-A494 VanDerWaalsContact OG1-O 3.14Å; T491-F509 WeakPolarHBondContact O-CE2 3.46Å; T491-Y556 VanDerWaalsContact CG2-OH 3.31Å; T491-Y556 WeakPolarHBondContact CG2-OH 3.45Å; T491-Y556 PolarHBondContact OG1-OH 3.32Å; T491-M560 HydrophobicContact CG2-SD 3.76Å
492R95.4Very high94.9Very high196 Ų19631.8 Ų31.874%0.7414%0.139SC*.SBendtrans-67.6-26.2171.5-64.5-178-178.1169.40.2112.9D585R492-D585 IonicContact NH2-OD2 2.75Å
493S95.1Very high95.1Very high63 Ų6332 Ų3244%0.44114%0.141SC..SBendtrans-105.2-26.3-171.3-48.50000114T491 F508 F509T491-S493 VanDerWaalsContact C-N 3.25Å; T491-S493 PolarHBondContact O-N 3.28Å; T491-S493 PolarHBondContact OG1-N 2.95Å; T491-S493 VanDerWaalsContact OG1-N 3.14Å; S493-F508 WeakPolarHBondContact O-CA 3.29Å; S493-F509 VanDerWaalsContact C-CD2 3.44Å; S493-F509 PolarHBondContact O-N 3.48Å
494A97.3Very high95.4Very high0 Ų032 Ų320%014%0.141CC..EExtended strand (participates in β ladder)trans-157.7161.6-172.800000113.4T491 I506 N507 F508 F509 Y556T491-A494 PolarHBondContact N-O 2.69Å; T491-A494 PolarHBondContact OG1-N 2.93Å; T491-A494 VanDerWaalsContact OG1-N 3.07Å; T491-A494 PolarHBondContact OG1-O 3.27Å; T491-A494 VanDerWaalsContact OG1-O 3.14Å; A494-I506 HydrophobicContact CB-CG2 3.6Å; A494-N507 CarbonylContact C-O 3.58Å; A494-N507 WeakPolarHBondContact CA-O 3.37Å; A494-N507 WeakPolarHBondContact CB-O 3.26Å; A494-F508 HydrophobicContact CB-CD1 3.93Å; A494-F508 HydrophobicContact CB-CE1 4.36Å; A494-F508 HydrophobicContact CB-CG 4.43Å; A494-F509 VanDerWaalsContact C-CE2 3.43Å; A494-Y556 HydrophobicContact CB-CE1 3.9Å
495I97.7Very high95.6Very high0 Ų029.8 Ų29.80%013%0.131CC..EExtended strand (participates in β ladder)trans-99.6135.7161.9-173.8168.1000109.5W388 L397 W488 R490 L497 I506 N507 F509W388-I495 HydrophobicContact CD2-CD1 3.83Å; W388-I495 HydrophobicContact CD2-CG2 4.47Å; W388-I495 HydrophobicContact CE3-CD1 3.76Å; W388-I495 HydrophobicContact CG-CD1 4.44Å; W388-I495 HydrophobicContact CH2-CD1 4.29Å; W388-I495 HydrophobicContact CH2-CG2 4.46Å; W388-I495 HydrophobicContact CZ2-CB 4.43Å; W388-I495 HydrophobicContact CZ2-CD1 4.36Å; W388-I495 HydrophobicContact CZ2-CG2 3.73Å; W388-I495 HydrophobicContact CZ3-CD1 4Å; L397-I495 HydrophobicContact CD1-CD1 4.18Å; W488-I495 HydrophobicContact CE3-CD1 4.16Å; W488-I495 HydrophobicContact CZ3-CD1 4.48Å; R490-I495 HydrophobicContact CG-CB 4.08Å; R490-I495 HydrophobicContact CG-CD1 4.05Å; R490-I495 HydrophobicContact CG-CG1 3.85Å; I495-L497 HydrophobicContact CD1-CD2 3.93Å; I495-L497 HydrophobicContact CD1-CG 4.5Å; I495-L497 HydrophobicContact CG1-CD2 3.98Å; I495-L497 HydrophobicContact CG1-CG 4.17Å; I495-I506 WeakPolarHBondContact O-CA 3.28Å; I495-N507 HydrophobicContact CG2-CB 3.74Å; I495-N507 PolarHBondContact N-O 2.87Å; I495-N507 PolarHBondContact O-N 3.24Å; I495-F509 HydrophobicContact CB-CE1 4.03Å; I495-F509 HydrophobicContact CB-CZ 3.89Å; I495-F509 HydrophobicContact CG2-CE1 3.98Å; I495-F509 HydrophobicContact CG2-CZ 4.35Å; I495-F509 VanDerWaalsContact N-CZ 3.31Å
496V98.1Very high95.7Very high0 Ų029.8 Ų29.80%013%0.131CC..EExtended strand (participates in β ladder)trans-110.9126.7179.9-176.60000108.6W488 F489 L504 I506 M560 L564W488-V496 WeakPolarHBondContact CA-O 3.27Å; W488-V496 WeakPolarHBondContact CB-O 3.19Å; F489-V496 HydrophobicContact CD1-CB 4.12Å; F489-V496 HydrophobicContact CD1-CG1 4.43Å; F489-V496 HydrophobicContact CD2-CB 4.46Å; F489-V496 HydrophobicContact CD2-CG2 4.39Å; F489-V496 HydrophobicContact CE1-CB 3.72Å; F489-V496 HydrophobicContact CE1-CG1 3.71Å; F489-V496 HydrophobicContact CE1-CG2 4.16Å; F489-V496 HydrophobicContact CE2-CB 4.11Å; F489-V496 HydrophobicContact CE2-CG2 3.74Å; F489-V496 HydrophobicContact CG-CB 4.47Å; F489-V496 HydrophobicContact CZ-CB 3.72Å; F489-V496 HydrophobicContact CZ-CG1 3.91Å; F489-V496 HydrophobicContact CZ-CG2 3.61Å; F489-V496 PolarHBondContact N-O 2.7Å; F489-V496 VanDerWaalsContact N-O 3.11Å; F489-V496 PolarHBondContact O-N 3.09Å; V496-L504 HydrophobicContact CG1-CD1 3.67Å; V496-I506 HydrophobicContact CG1-CG1 4.23Å; V496-I506 HydrophobicContact CG2-CD1 4.35Å; V496-I506 HydrophobicContact CG2-CG1 4.23Å; V496-I506 HydrophobicContact CG2-CG2 4.5Å; V496-M560 HydrophobicContact CG1-CB 4.33Å; V496-M560 HydrophobicContact CG2-CB 4.05Å; V496-M560 HydrophobicContact CG2-CG 3.72Å; V496-M560 HydrophobicContact CG2-SD 4Å; V496-L564 HydrophobicContact CG1-CD1 4.03Å
497L98.2Very high95.8Very high0 Ų028.3 Ų28.30%013%0.126CC..EExtended strand (participates in β ladder)trans-130.4114.2-171-60.8168.3000109.3V385 L397 L485 W488 I495 Q505V385-L497 HydrophobicContact CB-CD1 3.94Å; V385-L497 HydrophobicContact CG1-CD1 4.04Å; V385-L497 HydrophobicContact CG2-CD1 4.13Å; L397-L497 HydrophobicContact CD2-CD2 3.94Å; L485-L497 HydrophobicContact CD1-CB 3.77Å; L485-L497 HydrophobicContact CD1-CD2 3.97Å; L485-L497 HydrophobicContact CD1-CG 4.5Å; L485-L497 HydrophobicContact CD2-CD2 3.85Å; W488-L497 HydrophobicContact CB-CD2 3.92Å; I495-L497 HydrophobicContact CD1-CD2 3.93Å; I495-L497 HydrophobicContact CD1-CG 4.5Å; I495-L497 HydrophobicContact CG1-CD2 3.98Å; I495-L497 HydrophobicContact CG1-CG 4.17Å; L497-Q505 HydrophobicContact CB-CB 4.23Å; L497-Q505 HydrophobicContact CD1-CG 4.43Å; L497-Q505 PolarHBondContact N-O 3.36Å; L497-Q505 PolarHBondContact O-N 3.16Å
498H97.2Very high96Very high0 Ų024.3 Ų24.30%011%0.111CC..EExtended strand (participates in β ladder)trans-111.8111.6-179.7-176.2-142.9000111.2D343 R486 R487 L504 L564D343-H498 PolarHBondContact O-CE1 3.02Å; R486-H498 WeakPolarHBondContact CA-O 3.32Å; R486-H498 WeakPolarHBondContact CB-O 3Å; R486-H498 PolarHBondContact N-O 3.37Å; R486-H498 PolarHBondContact NE-CE1 3Å; R486-H498 PolarHBondContact NE-ND1 3.07Å; R486-H498 PolarHBondContact NH2-CE1 3.07Å; R486-H498 VanDerWaalsContact NH2-CE1 3.32Å; R486-H498 PolarHBondContact NH2-ND1 3.28Å; R487-H498 HydrophobicContact CB-CB 4.38Å; R487-H498 PolarHBondContact N-O 2.87Å; R487-H498 PolarHBondContact O-N 3.02Å; H498-L504 HydrophobicContact CB-CD1 4.09Å; H498-L564 HydrophobicContact CB-CD1 4.22Å
499L95.8Very high95.9Very high0 Ų024.3 Ų24.30%011%0.113CC..EExtended strand (participates in β ladder)trans-81.9153.3179.3-63.8-179.7000111.8V385 L401 F484 L485 N501 G502 T503V385-L499 HydrophobicContact CG2-CD2 4.25Å; L401-L499 HydrophobicContact CD2-CD2 4.43Å; F484-L499 CarbonylContact O-C 3.51Å; F484-L499 WeakPolarHBondContact O-CA 3.4Å; L485-L499 HydrophobicContact CB-CD2 4.33Å; L485-L499 HydrophobicContact CD1-CD2 4.08Å; L499-N501 WeakPolarHBondContact CB-OD1 3.33Å; L499-N501 PolarHBondContact O-N 2.99Å; L499-N501 VanDerWaalsContact O-N 3.16Å; L499-G502 PolarHBondContact O-N 3.49Å; L499-T503 PolarHBondContact N-O 3.25Å
500S93.2Very high95.8Very high11 Ų1128.1 Ų28.18%0.07714%0.135CC..THydrogen-bonded Turntrans-64.7-17.4-178.764.20000114Q340 P483 F484 G502Q340-S500 PolarHBondContact NE2-O 3.28Å; Q340-S500 PolarHBondContact OE1-O 2.84Å; P483-S500 WeakPolarHBondContact CA-OG 3.36Å; F484-S500 VanDerWaalsContact CD1-OG 3.32Å; F484-S500 WeakPolarHBondContact CD1-OG 3.36Å; F484-S500 VanDerWaalsContact CE1-CB 3.46Å; F484-S500 PolarHBondContact N-OG 2.8Å; F484-S500 WeakPolarHBondContact O-CB 3.28Å; F484-S500 PolarHBondContact O-N 3.44Å; S500-G502 PolarHBondContact O-N 3.34Å
501N90.4Very high95.7Very high22 Ų2227.2 Ų27.212%0.11814%0.135CC..THydrogen-bonded Turntrans-81.95.6171.468.33.6000113.5T292 P483 L499 T503T292-N501 HydrophobicContact CG2-CB 4.32Å; P483-N501 HydrophobicContact CB-CB 4.14Å; L499-N501 WeakPolarHBondContact CB-OD1 3.33Å; L499-N501 PolarHBondContact O-N 2.99Å; L499-N501 VanDerWaalsContact O-N 3.16Å; N501-T503 VanDerWaalsContact C-N 3.35Å; N501-T503 WeakPolarHBondContact OD1-CB 3.43Å; N501-T503 PolarHBondContact OD1-N 3.16Å; N501-T503 PolarHBondContact OD1-OG1 3.48Å
502G92.5Very high95.5Very high1 Ų130.8 Ų30.81%0.0115%0.149CC..SBendtrans85.80.5-178.500000114.7C344 L499 S500 L504 P519C344-G502 WeakPolarHBondContact O-CA 3.44Å; L499-G502 PolarHBondContact O-N 3.49Å; S500-G502 PolarHBondContact O-N 3.34Å; G502-L504 PolarHBondContact O-N 3.37Å; G502-P519 WeakPolarHBondContact O-CD 3.47Å; G502-P519 VanDerWaalsContact O-CG 3.24Å; G502-P519 WeakPolarHBondContact O-CG 3.37Å
503T95.1Very high95.4Very high8 Ų821.4 Ų21.45%0.04911%0.114CC..  trans-69.7124175.2-580000109.8L499 N501 I516 L517L499-T503 PolarHBondContact N-O 3.25Å; N501-T503 VanDerWaalsContact C-N 3.35Å; N501-T503 WeakPolarHBondContact OD1-CB 3.43Å; N501-T503 PolarHBondContact OD1-N 3.16Å; N501-T503 PolarHBondContact OD1-OG1 3.48Å; T503-I516 HydrophobicContact CG2-CG2 3.33Å; T503-L517 WeakPolarHBondContact CA-O 2.82Å
504L97.8Very high95.4Very high0 Ų019.8 Ų19.80%010%0.099CC..EExtended strand (participates in β ladder)trans-105.5119.1174177.865.5000109.3L349 V496 H498 G502 L517 I561 L564L349-L504 HydrophobicContact CD2-CB 3.83Å; L349-L504 HydrophobicContact CD2-CD2 3.86Å; V496-L504 HydrophobicContact CG1-CD1 3.67Å; H498-L504 HydrophobicContact CB-CD1 4.09Å; G502-L504 PolarHBondContact O-N 3.37Å; L504-L517 HydrophobicContact CB-CB 4.3Å; L504-L517 HydrophobicContact CD2-CD1 4.21Å; L504-L517 PolarHBondContact N-O 3.28Å; L504-L517 PolarHBondContact O-N 2.88Å; L504-I561 HydrophobicContact CD2-CD1 3.99Å; L504-I561 HydrophobicContact CD2-CG1 3.36Å; L504-L564 HydrophobicContact CD1-CD1 3.55Å; L504-L564 HydrophobicContact CD2-CD1 4.42Å
505Q98.1Very high95.4Very high1 Ų119.8 Ų19.81%0.00510%0.099CC..EExtended strand (participates in β ladder)trans-111.6137.4176.4174.7177.5-8.900110.2V385 L497 N507 I515 I516V385-Q505 PolarHBondContact O-NE2 3.31Å; V385-Q505 PolarHBondContact O-OE1 2.89Å; L497-Q505 HydrophobicContact CB-CB 4.23Å; L497-Q505 HydrophobicContact CD1-CG 4.43Å; L497-Q505 PolarHBondContact N-O 3.36Å; L497-Q505 PolarHBondContact O-N 3.16Å; Q505-N507 WeakPolarHBondContact CG-OD1 3.37Å; Q505-N507 PolarHBondContact NE2-ND2 3.03Å; Q505-N507 PolarHBondContact NE2-OD1 2.88Å; Q505-I515 CarbonylContact C-O 3.01Å; Q505-I515 VanDerWaalsContact CA-O 3.3Å; Q505-I515 WeakPolarHBondContact CA-O 3.34Å; Q505-I516 HydrophobicContact CB-CG1 4.35Å; Q505-I516 HydrophobicContact CG-CG1 4.03Å
506I98.3Very high95.4Very high0 Ų019.8 Ų19.80%010%0.099CC..EExtended strand (participates in β ladder)trans-128124.2173.3-56.8-175.9000107.6A494 I495 V496 F508 K514 I515 Y556 A557 M560A494-I506 HydrophobicContact CB-CG2 3.6Å; I495-I506 WeakPolarHBondContact O-CA 3.28Å; V496-I506 HydrophobicContact CG1-CG1 4.23Å; V496-I506 HydrophobicContact CG2-CD1 4.35Å; V496-I506 HydrophobicContact CG2-CG1 4.23Å; V496-I506 HydrophobicContact CG2-CG2 4.5Å; I506-F508 HydrophobicContact CG2-CE1 4.11Å; I506-F508 HydrophobicContact CG2-CE2 4.07Å; I506-F508 HydrophobicContact CG2-CZ 3.85Å; I506-K514 CarbonylContact O-C 3.57Å; I506-K514 VanDerWaalsContact O-CA 3.28Å; I506-K514 WeakPolarHBondContact O-CA 3.44Å; I506-I515 HydrophobicContact CB-CD1 4.14Å; I506-I515 HydrophobicContact CB-CG1 3.7Å; I506-I515 HydrophobicContact CD1-CD1 4.17Å; I506-I515 HydrophobicContact CG1-CD1 4.43Å; I506-I515 HydrophobicContact CG1-CG1 4.32Å; I506-I515 PolarHBondContact N-O 3.02Å; I506-I515 PolarHBondContact O-N 3.09Å; I506-Y556 HydrophobicContact CD1-CD1 4.2Å; I506-Y556 HydrophobicContact CD1-CE1 4.26Å; I506-Y556 HydrophobicContact CG2-CD1 4.15Å; I506-Y556 HydrophobicContact CG2-CE1 3.77Å; I506-A557 HydrophobicContact CD1-CB 3.74Å; I506-M560 HydrophobicContact CD1-CB 4.04Å; I506-M560 HydrophobicContact CD1-CG 4.08Å
507N97.4Very high95.4Very high8 Ų819.8 Ų19.84%0.04310%0.099CC..EExtended strand (participates in β ladder)trans-110.6118.8175.5-57.1-18.2000108.5W388 A494 I495 Q505 K514W388-N507 PolarHBondContact NE1-ND2 3.25Å; A494-N507 CarbonylContact C-O 3.58Å; A494-N507 WeakPolarHBondContact CA-O 3.37Å; A494-N507 WeakPolarHBondContact CB-O 3.26Å; I495-N507 HydrophobicContact CG2-CB 3.74Å; I495-N507 PolarHBondContact N-O 2.87Å; I495-N507 PolarHBondContact O-N 3.24Å; Q505-N507 WeakPolarHBondContact CG-OD1 3.37Å; Q505-N507 PolarHBondContact NE2-ND2 3.03Å; Q505-N507 PolarHBondContact NE2-OD1 2.88Å; N507-K514 HydrophobicContact CB-CG 4.18Å; N507-K514 WeakPolarHBondContact OD1-CG 3.45Å
508F96.8Very high95.2Very high12 Ų1220.3 Ų20.35%0.05310%0.102CC..EExtended strand (participates in β ladder)trans-83.2141.1179.5-60.6-85.9000110.3S493 A494 I506 D510 H512 A513 I515 R553 Y556S493-F508 WeakPolarHBondContact O-CA 3.29Å; A494-F508 HydrophobicContact CB-CD1 3.93Å; A494-F508 HydrophobicContact CB-CE1 4.36Å; A494-F508 HydrophobicContact CB-CG 4.43Å; I506-F508 HydrophobicContact CG2-CE1 4.11Å; I506-F508 HydrophobicContact CG2-CE2 4.07Å; I506-F508 HydrophobicContact CG2-CZ 3.85Å; F508-D510 WeakPolarHBondContact CB-OD1 3.49Å; F508-H512 VanDerWaalsContact O-CA 3.28Å; F508-H512 WeakPolarHBondContact O-CA 3.31Å; F508-H512 PolarHBondContact O-N 3.45Å; F508-A513 HydrophobicContact CD2-CB 4.46Å; F508-A513 WeakPolarHBondContact CD2-O 3.4Å; F508-A513 PolarHBondContact N-O 3.4Å; F508-I515 HydrophobicContact CE2-CD1 4.1Å; F508-I515 HydrophobicContact CE2-CG1 3.95Å; F508-I515 HydrophobicContact CE2-CG2 4.35Å; F508-I515 HydrophobicContact CZ-CD1 4.11Å; F508-I515 HydrophobicContact CZ-CG1 4.42Å; F508-R553 VanDerWaalsContact CD1-NH1 3.35Å; F508-R553 HydrophobicContact CD2-CG 4.43Å; F508-R553 HydrophobicContact CE1-CG 4.28Å; F508-R553 HydrophobicContact CE2-CB 3.9Å; F508-R553 HydrophobicContact CE2-CG 3.75Å; F508-R553 HydrophobicContact CZ-CB 3.7Å; F508-R553 HydrophobicContact CZ-CG 3.67Å; F508-Y556 AromaticContact CE1-CD1 3.54Å; F508-Y556 HydrophobicContact CE1-CD1 3.54Å; F508-Y556 AromaticContact CE1-CE1 3.94Å; F508-Y556 HydrophobicContact CE1-CE1 3.94Å; F508-Y556 HydrophobicContact CE1-CG 4.02Å; F508-Y556 AromaticContact CZ-CD1 3.89Å; F508-Y556 HydrophobicContact CZ-CD1 3.89Å
509F94.9Very high95Very high59 Ų5920.4 Ų20.426%0.25910%0.103SC..SBendtrans-90-24.7-172.4-60.1-40.8000114.1W388 T491 S493 A494 I495W388-F509 AromaticContact CH2-CE1 3.95Å; W388-F509 HydrophobicContact CH2-CE1 3.95Å; W388-F509 AromaticContact CZ2-CE1 3.81Å; W388-F509 HydrophobicContact CZ2-CE1 3.81Å; T491-F509 WeakPolarHBondContact O-CE2 3.46Å; S493-F509 VanDerWaalsContact C-CD2 3.44Å; S493-F509 PolarHBondContact O-N 3.48Å; A494-F509 VanDerWaalsContact C-CE2 3.43Å; I495-F509 HydrophobicContact CB-CE1 4.03Å; I495-F509 HydrophobicContact CB-CZ 3.89Å; I495-F509 HydrophobicContact CG2-CE1 3.98Å; I495-F509 HydrophobicContact CG2-CZ 4.35Å; I495-F509 VanDerWaalsContact N-CZ 3.31Å
510D93.4Very high94.7Very high123 Ų12321.4 Ų21.466%0.65811%0.108SC*.SBendtrans-70.6-41.9-175.354.1-22.2000112.5F508F508-D510 WeakPolarHBondContact CB-OD1 3.49Å
511D92.3Very high94.7Very high42 Ų4221.9 Ų21.923%0.22511%0.11CC..SBendtrans-129.15.9-175.768.2-3.2000114.1A513 A529 R553D511-A513 PolarHBondContact O-N 3.32Å; D511-A513 VanDerWaalsContact O-N 3.15Å; D511-A513 WeakPolarHBondContact OD1-CB 3.47Å; D511-A513 PolarHBondContact OD1-N 3.09Å; D511-A529 HydrophobicContact CB-CB 4.17Å; D511-R553 IonicContact OD1-NH2 3.44Å; D511-R553 IonicContact OD2-CZ 2.62Å; D511-R553 IonicContact OD2-NH2 2.8Å; D511-R553 PolarHBondContact OD2-NH2 3.26Å
512H89.9Confident94.8Very high100 Ų10025.9 Ų25.946%0.46312%0.123SC..  trans62.311.3-176.4-57.3-90000115.2F508 K514 D596F508-H512 VanDerWaalsContact O-CA 3.28Å; F508-H512 WeakPolarHBondContact O-CA 3.31Å; F508-H512 PolarHBondContact O-N 3.45Å; H512-K514 WeakPolarHBondContact O-CG 3.5Å; H512-K514 PolarHBondContact O-NZ 3.4Å; H512-D596 IonicContact CE1-OD1 3.81Å; H512-D596 PolarHBondContact CE1-OD1 3.09Å; H512-D596 VanDerWaalsContact CE1-OD1 3.3Å; H512-D596 IonicContact CG-OD1 2.65Å; H512-D596 IonicContact ND1-OD1 3.36Å; H512-D596 PolarHBondContact ND1-OD1 3.19Å
513A94.1Very high94.9Very high0 Ų025.9 Ų25.90%012%0.123CC..  trans-64.4154.1175.400000111F508 D511 Y526 I527F508-A513 HydrophobicContact CD2-CB 4.46Å; F508-A513 WeakPolarHBondContact CD2-O 3.4Å; F508-A513 PolarHBondContact N-O 3.4Å; D511-A513 PolarHBondContact O-N 3.32Å; D511-A513 VanDerWaalsContact O-N 3.15Å; D511-A513 WeakPolarHBondContact OD1-CB 3.47Å; D511-A513 PolarHBondContact OD1-N 3.09Å; A513-Y526 HydrophobicContact CB-CE2 4.01Å; A513-I527 CarbonylContact C-O 3.42Å; A513-I527 WeakPolarHBondContact CA-O 3.49Å; A513-I527 WeakPolarHBondContact CB-O 3.3Å
514K96Very high95Very high29 Ų2925.5 Ų25.513%0.12612%0.121CC..EExtended strand (participates in β ladder)trans-139.8138-175.9-46.8175.817961.60110.1I506 N507 H512 Y526 I527I506-K514 CarbonylContact O-C 3.57Å; I506-K514 VanDerWaalsContact O-CA 3.28Å; I506-K514 WeakPolarHBondContact O-CA 3.44Å; N507-K514 HydrophobicContact CB-CG 4.18Å; N507-K514 WeakPolarHBondContact OD1-CG 3.45Å; H512-K514 WeakPolarHBondContact O-CG 3.5Å; H512-K514 PolarHBondContact O-NZ 3.4Å; K514-Y526 WeakPolarHBondContact O-CD2 3.26Å; K514-I527 HydrophobicContact CB-CB 4.08Å; K514-I527 HydrophobicContact CB-CD1 4.28Å; K514-I527 HydrophobicContact CB-CG1 4.45Å; K514-I527 HydrophobicContact CD-CD1 4.22Å; K514-I527 PolarHBondContact N-O 3.46Å; K514-I527 PolarHBondContact O-N 3.44Å
515I96.8Very high94.9Very high0 Ų025.6 Ų25.60%012%0.121CC..EExtended strand (participates in β ladder)trans-115.4135.9167.156.8177.1000109.4Q505 I506 F508 V524 T525 Y526 L550 R553 A557Q505-I515 CarbonylContact C-O 3.01Å; Q505-I515 VanDerWaalsContact CA-O 3.3Å; Q505-I515 WeakPolarHBondContact CA-O 3.34Å; I506-I515 HydrophobicContact CB-CD1 4.14Å; I506-I515 HydrophobicContact CB-CG1 3.7Å; I506-I515 HydrophobicContact CD1-CD1 4.17Å; I506-I515 HydrophobicContact CG1-CD1 4.43Å; I506-I515 HydrophobicContact CG1-CG1 4.32Å; I506-I515 PolarHBondContact N-O 3.02Å; I506-I515 PolarHBondContact O-N 3.09Å; F508-I515 HydrophobicContact CE2-CD1 4.1Å; F508-I515 HydrophobicContact CE2-CG1 3.95Å; F508-I515 HydrophobicContact CE2-CG2 4.35Å; F508-I515 HydrophobicContact CZ-CD1 4.11Å; F508-I515 HydrophobicContact CZ-CG1 4.42Å; I515-V524 HydrophobicContact CB-CG2 4.23Å; I515-V524 HydrophobicContact CG2-CG2 4.34Å; I515-T525 CarbonylContact C-O 3.38Å; I515-T525 WeakPolarHBondContact CA-O 3.36Å; I515-Y526 HydrophobicContact CG2-CD2 3.66Å; I515-Y526 HydrophobicContact CG2-CE2 4.23Å; I515-L550 HydrophobicContact CG2-CD1 4.22Å; I515-R553 HydrophobicContact CD1-CB 4.4Å; I515-R553 WeakPolarHBondContact CD1-O 3.47Å; I515-R553 HydrophobicContact CG2-CB 4.26Å; I515-A557 HydrophobicContact CD1-CB 3.63Å
516I97.3Very high94.7Very high0 Ų026.4 Ų26.40%012%0.124CC..EExtended strand (participates in β ladder)trans-124.3112.1176.4-52.2158.8000107.6P381 W384 T503 Q505 V524 T525 I527P381-I516 HydrophobicContact CB-CG2 4.07Å; P381-I516 HydrophobicContact CG-CB 4.4Å; P381-I516 HydrophobicContact CG-CD1 4.31Å; P381-I516 HydrophobicContact CG-CG2 3.89Å; W384-I516 HydrophobicContact CB-CD1 3.67Å; W384-I516 HydrophobicContact CB-CG1 4.3Å; W384-I516 HydrophobicContact CB-CG2 4.33Å; W384-I516 HydrophobicContact CD2-CD1 4.15Å; W384-I516 HydrophobicContact CG-CD1 3.69Å; T503-I516 HydrophobicContact CG2-CG2 3.33Å; Q505-I516 HydrophobicContact CB-CG1 4.35Å; Q505-I516 HydrophobicContact CG-CG1 4.03Å; I516-V524 CarbonylContact O-C 3.45Å; I516-V524 WeakPolarHBondContact O-CA 3.25Å; I516-T525 HydrophobicContact CD1-CG2 4.46Å; I516-T525 PolarHBondContact N-O 3.13Å; I516-T525 PolarHBondContact O-N 3.3Å; I516-I527 HydrophobicContact CD1-CD1 4.18Å
517L97.4Very high94.4Very high0 Ų027.3 Ų27.30%013%0.129CC..EExtended strand (participates in β ladder)trans-101.5123.3-175.9-64.3169.3000110.1L349 L353 T503 L504 V524 F538 L554 A557L349-L517 HydrophobicContact CD1-CB 3.97Å; L349-L517 HydrophobicContact CD2-CB 3.89Å; L349-L517 HydrophobicContact CD2-CD1 4.11Å; L353-L517 HydrophobicContact CD2-CD1 4.35Å; T503-L517 WeakPolarHBondContact CA-O 2.82Å; L504-L517 HydrophobicContact CB-CB 4.3Å; L504-L517 HydrophobicContact CD2-CD1 4.21Å; L504-L517 PolarHBondContact N-O 3.28Å; L504-L517 PolarHBondContact O-N 2.88Å; L517-V524 HydrophobicContact CD2-CB 3.62Å; L517-V524 HydrophobicContact CD2-CG2 3.68Å; L517-F538 HydrophobicContact CD2-CE1 4.09Å; L517-F538 HydrophobicContact CD2-CZ 4.04Å; L517-L554 HydrophobicContact CD2-CD2 3.87Å; L517-A557 HydrophobicContact CD1-CB 3.77Å
518C94.5Very high94Very high10 Ų1028.3 Ų28.37%0.06813%0.134CC..EExtended strand (participates in β ladder)trans-111.699.3177.3-66.70000109.8L520 M521 R522 A523C518-L520 PolarHBondContact O-N 3.36Å; C518-M521 HydrophobicContact CB-CB 3.92Å; C518-M521 HydrophobicContact CB-CG 4.28Å; C518-M521 CarbonylContact O-C 3.59Å; C518-M521 PolarHBondContact O-N 3.06Å; C518-R522 PolarHBondContact O-N 3.16Å; C518-A523 PolarHBondContact N-O 3.37Å; C518-A523 PolarHBondContact O-N 3.41Å
519P92.2Very high93.5Very high3 Ų330.5 Ų30.52%0.01916%0.155CC..THydrogen-bonded Turntrans-60.5-41.5-172.418.5-29.6000113.5W345 L348 L349 G502 M521 R522W345-P519 HydrophobicContact CB-CB 3.93Å; W345-P519 HydrophobicContact CB-CG 3.72Å; W345-P519 HydrophobicContact CG-CG 4.49Å; L348-P519 HydrophobicContact CD2-CB 4.4Å; L349-P519 HydrophobicContact CB-CB 4Å; L349-P519 HydrophobicContact CD1-CB 4.19Å; G502-P519 WeakPolarHBondContact O-CD 3.47Å; G502-P519 VanDerWaalsContact O-CG 3.24Å; G502-P519 WeakPolarHBondContact O-CG 3.37Å; P519-M521 VanDerWaalsContact C-N 3.34Å; P519-M521 PolarHBondContact O-N 2.74Å; P519-R522 WeakPolarHBondContact O-CG 3.49Å; P519-R522 PolarHBondContact O-N 3.1Å; P519-R522 VanDerWaalsContact O-N 3.13Å
520L90.8Very high93.1Very high20 Ų2033.9 Ų33.911%0.10518%0.176CC..THydrogen-bonded Turntrans-70.2-33.1-178.4-63.2-178.8000112.5R116 W345 L348 C518 R522R116-L520 WeakPolarHBondContact O-CD1 3.4Å; W345-L520 HydrophobicContact CD2-CD2 3.8Å; W345-L520 HydrophobicContact CE3-CD2 4.16Å; W345-L520 HydrophobicContact CG-CD2 4.14Å; W345-L520 HydrophobicContact CG-CG 4.41Å; W345-L520 HydrophobicContact CZ2-CD2 4.19Å; L348-L520 HydrophobicContact CD2-CD2 4.04Å; C518-L520 PolarHBondContact O-N 3.36Å; L520-R522 VanDerWaalsContact C-N 3.31Å
521M92Very high92.7Very high21 Ų2134.7 Ų34.710%0.10317%0.169CC..THydrogen-bonded Turntrans-80.3-13.7172.5-64.7-52.1-6800113.1K115 R116 A379 C518 P519 A523K115-M521 HydrophobicContact CB-CE 4.32Å; K115-M521 HydrophobicContact CB-SD 3.7Å; K115-M521 HydrophobicContact CD-CE 4.37Å; R116-M521 HydrophobicContact CG-CG 3.95Å; R116-M521 HydrophobicContact CG-SD 3.52Å; R116-M521 VanDerWaalsContact CG-SD 3.52Å; R116-M521 PolarHBondContact NH1-SD 2.94Å; R116-M521 VanDerWaalsContact NH1-SD 3.42Å; A379-M521 HydrophobicContact CB-CB 4.44Å; A379-M521 HydrophobicContact CB-CE 4.11Å; C518-M521 HydrophobicContact CB-CB 3.92Å; C518-M521 HydrophobicContact CB-CG 4.28Å; C518-M521 CarbonylContact O-C 3.59Å; C518-M521 PolarHBondContact O-N 3.06Å; P519-M521 VanDerWaalsContact C-N 3.34Å; P519-M521 PolarHBondContact O-N 2.74Å; M521-A523 VanDerWaalsContact C-N 3.26Å; M521-A523 HydrophobicContact CB-CB 4.13Å; M521-A523 PolarHBondContact O-N 2.99Å
522R94Very high92.4Very high107 Ų10736.8 Ų36.840%0.40418%0.178SC..THydrogen-bonded Turntrans51.149.8-173.9-58.1179.8171.6101.9-7110.6C518 P519 L520 R537 F538C518-R522 PolarHBondContact O-N 3.16Å; P519-R522 WeakPolarHBondContact O-CG 3.49Å; P519-R522 PolarHBondContact O-N 3.1Å; P519-R522 VanDerWaalsContact O-N 3.13Å; L520-R522 VanDerWaalsContact C-N 3.31Å; R522-R537 WeakPolarHBondContact O-CA 3.5Å; R522-F538 HydrophobicContact CB-CB 4.48Å; R522-F538 HydrophobicContact CB-CD2 3.88Å; R522-F538 HydrophobicContact CB-CE2 4.48Å; R522-F538 HydrophobicContact CB-CG 4.38Å; R522-F538 WeakPolarHBondContact O-CB 3.32Å; R522-F538 VanDerWaalsContact O-CG 3.23Å; R522-F538 WeakPolarHBondContact O-CG 3.45Å; R522-F538 PolarHBondContact O-N 2.89Å
523A95Very high92.3Very high1 Ų135.6 Ų35.61%0.00817%0.171CC..EExtended strand (participates in β ladder)trans-139152.2-172.400000111.6A379 C518 M521 T535 Y536 R537 F538A379-A523 HydrophobicContact CB-CB 3.66Å; C518-A523 PolarHBondContact N-O 3.37Å; C518-A523 PolarHBondContact O-N 3.41Å; M521-A523 VanDerWaalsContact C-N 3.26Å; M521-A523 HydrophobicContact CB-CB 4.13Å; M521-A523 PolarHBondContact O-N 2.99Å; A523-T535 HydrophobicContact CB-CG2 4.33Å; A523-Y536 CarbonylContact C-O 3.52Å; A523-Y536 WeakPolarHBondContact CA-O 3.4Å; A523-Y536 VanDerWaalsContact CB-O 3.31Å; A523-Y536 WeakPolarHBondContact CB-O 3.36Å; A523-R537 HydrophobicContact CB-CG 4.47Å; A523-F538 VanDerWaalsContact C-CE1 3.49Å
524V95.9Very high92Very high0 Ų038.4 Ų38.40%018%0.182CC..EExtended strand (participates in β ladder)trans-115.9134.216857.10000108.3I515 I516 L517 T535 Y536 F538 L541 L550 L554I515-V524 HydrophobicContact CB-CG2 4.23Å; I515-V524 HydrophobicContact CG2-CG2 4.34Å; I516-V524 CarbonylContact O-C 3.45Å; I516-V524 WeakPolarHBondContact O-CA 3.25Å; L517-V524 HydrophobicContact CD2-CB 3.62Å; L517-V524 HydrophobicContact CD2-CG2 3.68Å; V524-T535 CarbonylContact O-C 3.47Å; V524-T535 WeakPolarHBondContact O-CA 3.46Å; V524-Y536 HydrophobicContact CG1-CD2 4.37Å; V524-Y536 PolarHBondContact N-O 2.91Å; V524-Y536 PolarHBondContact O-N 3.07Å; V524-F538 HydrophobicContact CB-CE1 4.09Å; V524-F538 HydrophobicContact CG1-CE1 4.38Å; V524-L541 HydrophobicContact CG1-CD1 3.66Å; V524-L550 HydrophobicContact CG2-CD1 4.48Å; V524-L554 HydrophobicContact CB-CD2 4.36Å; V524-L554 HydrophobicContact CG2-CD2 4.03Å
525T95Very high91.8Very high1 Ų137.1 Ų37.11%0.00618%0.177CC..EExtended strand (participates in β ladder)trans-99.9126.3161.1-57.20000108P381 I515 I516 F533 R534 T535P381-T525 WeakPolarHBondContact CD-OG1 3.33Å; I515-T525 CarbonylContact C-O 3.38Å; I515-T525 WeakPolarHBondContact CA-O 3.36Å; I516-T525 HydrophobicContact CD1-CG2 4.46Å; I516-T525 PolarHBondContact N-O 3.13Å; I516-T525 PolarHBondContact O-N 3.3Å; T525-F533 HydrophobicContact CG2-CD1 3.8Å; T525-F533 HydrophobicContact CG2-CD2 4.12Å; T525-F533 HydrophobicContact CG2-CE1 3.32Å; T525-F533 HydrophobicContact CG2-CE2 3.7Å; T525-F533 HydrophobicContact CG2-CG 4.18Å; T525-F533 HydrophobicContact CG2-CZ 3.3Å; T525-R534 CarbonylContact C-O 3.58Å; T525-R534 VanDerWaalsContact CA-O 3.29Å; T525-R534 WeakPolarHBondContact CA-O 3.39Å; T525-T535 PolarHBondContact OG1-OG1 2.87Å
526Y93.9Very high91.5Very high18 Ų1837.3 Ų37.37%0.07118%0.177CC..EExtended strand (participates in β ladder)trans-107.8126.9175.2-174-141.5000109.3A513 K514 I515 D528 R534 D549 L550 R553A513-Y526 HydrophobicContact CB-CE2 4.01Å; K514-Y526 WeakPolarHBondContact O-CD2 3.26Å; I515-Y526 HydrophobicContact CG2-CD2 3.66Å; I515-Y526 HydrophobicContact CG2-CE2 4.23Å; Y526-D528 HydrophobicContact CD1-CB 4.32Å; Y526-D528 HydrophobicContact CE1-CB 3.74Å; Y526-R534 PolarHBondContact N-O 3.17Å; Y526-R534 PolarHBondContact O-N 3.45Å; Y526-D549 WeakPolarHBondContact CE1-OD2 3.23Å; Y526-D549 PolarHBondContact OH-OD2 2.96Å; Y526-L550 HydrophobicContact CD1-CD1 4.23Å; Y526-L550 HydrophobicContact CD2-CD1 4.19Å; Y526-L550 HydrophobicContact CG-CD1 3.9Å; Y526-R553 PolarHBondContact OH-NE 3.3Å
527I92Very high91.3Very high20 Ų2041.7 Ų41.710%0.10319%0.194CC..EExtended strand (participates in β ladder)trans-110.2105.8169.2-52.5176.2000105.5A513 K514 I516 E532 F533A513-I527 CarbonylContact C-O 3.42Å; A513-I527 WeakPolarHBondContact CA-O 3.49Å; A513-I527 WeakPolarHBondContact CB-O 3.3Å; K514-I527 HydrophobicContact CB-CB 4.08Å; K514-I527 HydrophobicContact CB-CD1 4.28Å; K514-I527 HydrophobicContact CB-CG1 4.45Å; K514-I527 HydrophobicContact CD-CD1 4.22Å; K514-I527 PolarHBondContact N-O 3.46Å; K514-I527 PolarHBondContact O-N 3.44Å; I516-I527 HydrophobicContact CD1-CD1 4.18Å; I527-E532 VanDerWaalsContact CA-O 3.3Å; I527-E532 WeakPolarHBondContact CA-O 3.42Å; I527-F533 HydrophobicContact CD1-CD2 3.63Å; I527-F533 HydrophobicContact CD1-CE2 3.86Å; I527-F533 HydrophobicContact CG1-CD2 3.62Å; I527-F533 HydrophobicContact CG1-CE2 4.14Å; I527-F533 HydrophobicContact CG1-CG 4.36Å
528D89.2Confident91.1Very high28 Ų2842.1 Ų42.115%0.1520%0.196CC..  trans-78.5-178.5-176.472.42.9000112.3Y526 N530 R531 E532Y526-D528 HydrophobicContact CD1-CB 4.32Å; Y526-D528 HydrophobicContact CE1-CB 3.74Å; D528-N530 PolarHBondContact O-N 3.49Å; D528-N530 VanDerWaalsContact OD1-C 3.28Å; D528-N530 VanDerWaalsContact OD1-CA 3.3Å; D528-N530 WeakPolarHBondContact OD1-CA 3.35Å; D528-N530 WeakPolarHBondContact OD1-CB 3.37Å; D528-N530 PolarHBondContact OD1-N 3.18Å; D528-R531 WeakPolarHBondContact O-CA 3.41Å; D528-R531 PolarHBondContact O-N 3.18Å; D528-R531 PolarHBondContact OD1-N 3.02Å; D528-E532 PolarHBondContact N-O 3.32Å; D528-E532 PolarHBondContact OD1-N 3.46Å
529A88Confident90.9Very high58 Ų5848.5 Ų48.548%0.47922%0.222SC..THydrogen-bonded Turntrans-61.8-25.6176.400000113.2D511 R531D511-A529 HydrophobicContact CB-CB 4.17Å; A529-R531 PolarHBondContact O-N 3.46Å
530N86.2Confident90.7Very high131 Ų13149.7 Ų49.770%0.70123%0.228SC*.THydrogen-bonded Turntrans-81.8-0.7174.9-59.7-42.3000112.8D528 E532D528-N530 PolarHBondContact O-N 3.49Å; D528-N530 VanDerWaalsContact OD1-C 3.28Å; D528-N530 VanDerWaalsContact OD1-CA 3.3Å; D528-N530 WeakPolarHBondContact OD1-CA 3.35Å; D528-N530 WeakPolarHBondContact OD1-CB 3.37Å; D528-N530 PolarHBondContact OD1-N 3.18Å; N530-E532 HydrophobicContact CB-CG 4.28Å; N530-E532 PolarHBondContact O-N 3.36Å
531R85.2Confident90.7Very high140 Ų14048.8 Ų48.853%0.52822%0.223SC..  trans65.820.7-174.9-50.7179.5169.6-145.9-9.7113.6D528 A529 F533 D596D528-R531 WeakPolarHBondContact O-CA 3.41Å; D528-R531 PolarHBondContact O-N 3.18Å; D528-R531 PolarHBondContact OD1-N 3.02Å; A529-R531 PolarHBondContact O-N 3.46Å; R531-F533 PolarHBondContact O-N 3.5Å; R531-D596 IonicContact NH2-OD2 2.66Å; R531-D596 PolarHBondContact NH2-OD2 3.17Å
532E85.5Confident90.6Very high85 Ų8552.9 Ų52.940%0.39724%0.237SC..  trans-70.6127.2171.1-65.8-164.4160.400110I527 D528 N530 R534I527-E532 VanDerWaalsContact CA-O 3.3Å; I527-E532 WeakPolarHBondContact CA-O 3.42Å; D528-E532 PolarHBondContact N-O 3.32Å; D528-E532 PolarHBondContact OD1-N 3.46Å; N530-E532 HydrophobicContact CB-CG 4.28Å; N530-E532 PolarHBondContact O-N 3.36Å; E532-R534 IonicContact OE1-NH2 3.78Å; E532-R534 IonicContact OE2-CZ 3.51Å; E532-R534 IonicContact OE2-NE 3.16Å; E532-R534 PolarHBondContact OE2-NE 2.73Å; E532-R534 IonicContact OE2-NH2 2.66Å; E532-R534 PolarHBondContact OE2-NH2 2.97Å
533F88.4Confident90.2Very high75 Ų7552.3 Ų52.333%0.32924%0.239SC..EExtended strand (participates in β ladder)trans-101.6107.4-177.9-171.6-74.1000109.6C380 P381 W384 T525 I527 R531C380-F533 VanDerWaalsContact SG-CE1 3.5Å; P381-F533 HydrophobicContact CG-CZ 4.48Å; W384-F533 AromaticContact CH2-CE2 3.92Å; W384-F533 HydrophobicContact CH2-CE2 3.92Å; W384-F533 AromaticContact CH2-CZ 3.76Å; W384-F533 HydrophobicContact CH2-CZ 3.76Å; W384-F533 AromaticContact CZ2-CE2 3.69Å; W384-F533 HydrophobicContact CZ2-CE2 3.69Å; W384-F533 HydrophobicContact CZ2-CZ 4.03Å; W384-F533 HydrophobicContact CZ3-CE2 4.48Å; W384-F533 HydrophobicContact CZ3-CZ 4.06Å; T525-F533 HydrophobicContact CG2-CD1 3.8Å; T525-F533 HydrophobicContact CG2-CD2 4.12Å; T525-F533 HydrophobicContact CG2-CE1 3.32Å; T525-F533 HydrophobicContact CG2-CE2 3.7Å; T525-F533 HydrophobicContact CG2-CG 4.18Å; T525-F533 HydrophobicContact CG2-CZ 3.3Å; I527-F533 HydrophobicContact CD1-CD2 3.63Å; I527-F533 HydrophobicContact CD1-CE2 3.86Å; I527-F533 HydrophobicContact CG1-CD2 3.62Å; I527-F533 HydrophobicContact CG1-CE2 4.14Å; I527-F533 HydrophobicContact CG1-CG 4.36Å; R531-F533 PolarHBondContact O-N 3.5Å
534R87.3Confident89.7Confident59 Ų5955.6 Ų55.622%0.22325%0.254CS..EExtended strand (participates in β ladder)trans-127.6136.2-177.3-59.9-179-177.9-120.59.8111.4T525 Y526 E532 Y536T525-R534 CarbonylContact C-O 3.58Å; T525-R534 VanDerWaalsContact CA-O 3.29Å; T525-R534 WeakPolarHBondContact CA-O 3.39Å; Y526-R534 PolarHBondContact N-O 3.17Å; Y526-R534 PolarHBondContact O-N 3.45Å; E532-R534 IonicContact OE1-NH2 3.78Å; E532-R534 IonicContact OE2-CZ 3.51Å; E532-R534 IonicContact OE2-NE 3.16Å; E532-R534 PolarHBondContact OE2-NE 2.73Å; E532-R534 IonicContact OE2-NH2 2.66Å; E532-R534 PolarHBondContact OE2-NH2 2.97Å; R534-Y536 HydrophobicContact CB-CE1 4.47Å; R534-Y536 HydrophobicContact CB-CE2 3.75Å; R534-Y536 VanDerWaalsContact CB-OH 3.31Å; R534-Y536 WeakPolarHBondContact CB-OH 3.42Å; R534-Y536 WeakPolarHBondContact CD-OH 3.31Å
535T91.4Very high89.3Confident3 Ų355.8 Ų55.82%0.01826%0.255CS..EExtended strand (participates in β ladder)trans-114.1128.3-179.6-56.60000111.9E375 V376 A379 A523 V524 T525E375-T535 CarbonylContact C-O 3.55Å; E375-T535 WeakPolarHBondContact CA-O 3.47Å; E375-T535 WeakPolarHBondContact CG-O 3.46Å; V376-T535 PolarHBondContact N-O 3.4Å; A379-T535 HydrophobicContact CB-CG2 3.89Å; A523-T535 HydrophobicContact CB-CG2 4.33Å; V524-T535 CarbonylContact O-C 3.47Å; V524-T535 WeakPolarHBondContact O-CA 3.46Å; T525-T535 PolarHBondContact OG1-OG1 2.87Å
536Y91.2Very high89.1Confident4 Ų455.8 Ų55.82%0.01626%0.255CS..EExtended strand (participates in β ladder)trans-123.2137.8-179.4-50.9-76.5000111.8M371 A523 V524 R534 L541 L550M371-Y536 HydrophobicContact CB-CE1 4.08Å; M371-Y536 HydrophobicContact CE-CE1 4.04Å; M371-Y536 HydrophobicContact CE-CE2 3.87Å; M371-Y536 VanDerWaalsContact CE-CZ 3.46Å; M371-Y536 WeakPolarHBondContact CE-OH 3.45Å; M371-Y536 VanDerWaalsContact O-CE1 3.31Å; M371-Y536 WeakPolarHBondContact O-CE1 3.27Å; A523-Y536 CarbonylContact C-O 3.52Å; A523-Y536 WeakPolarHBondContact CA-O 3.4Å; A523-Y536 VanDerWaalsContact CB-O 3.31Å; A523-Y536 WeakPolarHBondContact CB-O 3.36Å; V524-Y536 HydrophobicContact CG1-CD2 4.37Å; V524-Y536 PolarHBondContact N-O 2.91Å; V524-Y536 PolarHBondContact O-N 3.07Å; R534-Y536 HydrophobicContact CB-CE1 4.47Å; R534-Y536 HydrophobicContact CB-CE2 3.75Å; R534-Y536 VanDerWaalsContact CB-OH 3.31Å; R534-Y536 WeakPolarHBondContact CB-OH 3.42Å; R534-Y536 WeakPolarHBondContact CD-OH 3.31Å; Y536-L541 HydrophobicContact CD1-CD2 4.24Å; Y536-L541 HydrophobicContact CD2-CD2 4.43Å; Y536-L541 HydrophobicContact CG-CD2 3.83Å; Y536-L550 HydrophobicContact CD2-CD2 4.15Å; Y536-L550 HydrophobicContact CE2-CD2 4.29Å
537R92Very high88.9Confident92 Ų9255.4 Ų55.435%0.34726%0.255SS..EExtended strand (participates in β ladder)trans-79.9139.5167-75.4-167.6-61.9-164.8-4.9110.1V376 A379 R522 A523 K539 H540 L541V376-R537 HydrophobicContact CB-CG 3.95Å; V376-R537 HydrophobicContact CG1-CG 4.1Å; V376-R537 HydrophobicContact CG2-CB 4.18Å; V376-R537 HydrophobicContact CG2-CG 3.77Å; A379-R537 HydrophobicContact CB-CG 4.21Å; R522-R537 WeakPolarHBondContact O-CA 3.5Å; A523-R537 HydrophobicContact CB-CG 4.47Å; R537-K539 PolarHBondContact O-N 2.8Å; R537-K539 VanDerWaalsContact O-N 3.12Å; R537-H540 PolarHBondContact NH2-CE1 2.99Å; R537-H540 VanDerWaalsContact NH2-CE1 3.32Å; R537-H540 PolarHBondContact NH2-NE2 3.11Å; R537-H540 WeakPolarHBondContact O-CB 3.33Å; R537-H540 PolarHBondContact O-N 3.45Å; R537-L541 PolarHBondContact O-N 3.16Å
538F93.5Very high88.8Confident8 Ų858.2 Ų58.24%0.03527%0.267CS..Hα-helixtrans-52.4-36.6174.7-67.2-10.1000112.9L349 K352 V356 L517 R522 A523 V524 H540 L541 R542L349-F538 HydrophobicContact CD1-CE2 4.1Å; L349-F538 HydrophobicContact CD1-CZ 3.95Å; K352-F538 HydrophobicContact CB-CD2 3.87Å; K352-F538 HydrophobicContact CB-CE2 3.98Å; V356-F538 HydrophobicContact CG2-CB 3.44Å; V356-F538 VanDerWaalsContact CG2-CB 3.44Å; V356-F538 HydrophobicContact CG2-CD1 4.11Å; V356-F538 HydrophobicContact CG2-CD2 4.34Å; V356-F538 HydrophobicContact CG2-CG 3.72Å; L517-F538 HydrophobicContact CD2-CE1 4.09Å; L517-F538 HydrophobicContact CD2-CZ 4.04Å; R522-F538 HydrophobicContact CB-CB 4.48Å; R522-F538 HydrophobicContact CB-CD2 3.88Å; R522-F538 HydrophobicContact CB-CE2 4.48Å; R522-F538 HydrophobicContact CB-CG 4.38Å; R522-F538 WeakPolarHBondContact O-CB 3.32Å; R522-F538 VanDerWaalsContact O-CG 3.23Å; R522-F538 WeakPolarHBondContact O-CG 3.45Å; R522-F538 PolarHBondContact O-N 2.89Å; A523-F538 VanDerWaalsContact C-CE1 3.49Å; V524-F538 HydrophobicContact CB-CE1 4.09Å; V524-F538 HydrophobicContact CG1-CE1 4.38Å; F538-H540 PolarHBondContact O-N 2.93Å; F538-L541 PolarHBondContact O-N 2.87Å; F538-R542 WeakPolarHBondContact O-CG 3.43Å; F538-R542 PolarHBondContact O-N 2.88Å
539K90.1Very high88.9Confident144 Ų14459.7 Ų59.763%0.62627%0.274SS*.Hα-helixtrans-59.2-47.1174.5-176.7-174.3171.8-172.80111.5R537 R542 E543R537-K539 PolarHBondContact O-N 2.8Å; R537-K539 VanDerWaalsContact O-N 3.12Å; K539-R542 PolarHBondContact O-N 3.1Å; K539-E543 WeakPolarHBondContact O-CB 3.44Å; K539-E543 PolarHBondContact O-N 3.03Å; K539-E543 VanDerWaalsContact O-N 3.1Å
540H88.2Confident89.2Confident28 Ų2857 Ų5713%0.1325%0.252CS..Hα-helixtrans-68.9-39.9-177.8-64.7-179.6000111.1S374 V376 R537 F538 R542 E543 F544S374-H540 PolarHBondContact O-ND1 2.96Å; V376-H540 WeakPolarHBondContact CG2-CE1 3.19Å; V376-H540 VanDerWaalsContact CG2-ND1 3.3Å; V376-H540 WeakPolarHBondContact CG2-ND1 3.22Å; R537-H540 PolarHBondContact NH2-CE1 2.99Å; R537-H540 VanDerWaalsContact NH2-CE1 3.32Å; R537-H540 PolarHBondContact NH2-NE2 3.11Å; R537-H540 WeakPolarHBondContact O-CB 3.33Å; R537-H540 PolarHBondContact O-N 3.45Å; F538-H540 PolarHBondContact O-N 2.93Å; H540-R542 PolarHBondContact O-N 2.68Å; H540-E543 PolarHBondContact O-N 2.65Å; H540-E543 VanDerWaalsContact O-N 3.07Å; H540-F544 HydrophobicContact CB-CD2 3.99Å; H540-F544 HydrophobicContact CB-CE2 4.32Å; H540-F544 WeakPolarHBondContact O-CD2 3.24Å; H540-F544 PolarHBondContact O-N 3.14Å
541L90.4Very high89.6Confident2 Ų250.7 Ų50.71%0.0122%0.218CC..Hα-helixtrans-59.2-34.6175.1-63.3-178.5000112.6V356 V524 Y536 R537 F538 G545 L546 L550 L554V356-L541 HydrophobicContact CG1-CB 4Å; V356-L541 HydrophobicContact CG1-CD1 4.34Å; V524-L541 HydrophobicContact CG1-CD1 3.66Å; Y536-L541 HydrophobicContact CD1-CD2 4.24Å; Y536-L541 HydrophobicContact CD2-CD2 4.43Å; Y536-L541 HydrophobicContact CG-CD2 3.83Å; R537-L541 PolarHBondContact O-N 3.16Å; F538-L541 PolarHBondContact O-N 2.87Å; L541-G545 CarbonylContact O-C 3.59Å; L541-G545 WeakPolarHBondContact O-CA 3.45Å; L541-G545 PolarHBondContact O-N 3.23Å; L541-L546 HydrophobicContact CD2-CB 4.07Å; L541-L550 HydrophobicContact CD2-CD2 4.44Å; L541-L554 HydrophobicContact CD1-CD1 4.26Å
542R89.4Confident90Very high106 Ų10648.3 Ų48.340%0.422%0.216SC..Hα-helixtrans-72.9-37.6174.1-68.4175.678.4-124.7-3.3112.8R355 V356 F538 K539 H540R355-R542 VanDerWaalsContact O-CD 3.23Å; R355-R542 WeakPolarHBondContact O-CD 3.46Å; R355-R542 PolarHBondContact O-NE 3.44Å; V356-R542 HydrophobicContact CB-CG 4.32Å; V356-R542 HydrophobicContact CG1-CG 4.45Å; V356-R542 HydrophobicContact CG2-CG 4.14Å; F538-R542 WeakPolarHBondContact O-CG 3.43Å; F538-R542 PolarHBondContact O-N 2.88Å; K539-R542 PolarHBondContact O-N 3.1Å; H540-R542 PolarHBondContact O-N 2.68Å
543E86.5Confident90.5Very high95 Ų9545.4 Ų45.444%0.44420%0.201SC..Hα-helixtrans-74.2-50.3-175.4-171169.5170.500111.2K361 K539 H540K361-E543 PolarHBondContact NZ-O 3.02Å; K539-E543 WeakPolarHBondContact O-CB 3.44Å; K539-E543 PolarHBondContact O-N 3.03Å; K539-E543 VanDerWaalsContact O-N 3.1Å; H540-E543 PolarHBondContact O-N 2.65Å; H540-E543 VanDerWaalsContact O-N 3.07Å
544F85Confident90.9Very high71 Ų7141.8 Ų41.831%0.31119%0.185SC..Hα-helixtrans-102-15.8-172.9-56.8-66.3000114.2F363 S374 H540F363-F544 WeakPolarHBondContact CE2-O 3.31Å; S374-F544 WeakPolarHBondContact OG-CB 3.43Å; S374-F544 VanDerWaalsContact OG-CD2 3.26Å; S374-F544 WeakPolarHBondContact OG-CD2 3.4Å; H540-F544 HydrophobicContact CB-CD2 3.99Å; H540-F544 HydrophobicContact CB-CE2 4.32Å; H540-F544 WeakPolarHBondContact O-CD2 3.24Å; H540-F544 PolarHBondContact O-N 3.14Å
545G87.6Confident91.4Very high3 Ų343 Ų433%0.03119%0.19CC..  trans91.9-176.3-177.300000114.5K361 L541K361-G545 CarbonylContact O-C 3.48Å; K361-G545 WeakPolarHBondContact O-CA 3.3Å; L541-G545 CarbonylContact O-C 3.59Å; L541-G545 WeakPolarHBondContact O-CA 3.45Å; L541-G545 PolarHBondContact O-N 3.23Å
546L90.1Very high91.6Very high2 Ų244.6 Ų44.61%0.0120%0.196CC..EExtended strand (participates in β ladder)trans-151.5159.7-176.265.7168.2000111.7P360 K361 E362 F363 L541 L550 A551 L554P360-L546 HydrophobicContact CB-CD2 3.78Å; K361-L546 PolarHBondContact O-N 3.16Å; E362-L546 WeakPolarHBondContact CA-O 3.27Å; F363-L546 PolarHBondContact N-O 3.21Å; F363-L546 VanDerWaalsContact N-O 3.1Å; L541-L546 HydrophobicContact CD2-CB 4.07Å; L546-L550 HydrophobicContact CB-CD2 4.42Å; L546-L550 HydrophobicContact CD1-CG 4.33Å; L546-A551 HydrophobicContact CD1-CB 3.81Å; L546-A551 HydrophobicContact CG-CB 4.08Å; L546-L554 HydrophobicContact CD1-CD1 3.84Å
547S89.8Confident91.9Very high9 Ų944.4 Ų44.46%0.06320%0.195CC..EExtended strand (participates in β ladder)trans-66.6148.617464.30000111.1F363 D549 L550 A551F363-S547 WeakPolarHBondContact O-CA 3.49Å; S547-D549 PolarHBondContact O-N 3.12Å; S547-L550 PolarHBondContact O-N 3.34Å; S547-L550 WeakPolarHBondContact OG-CB 3.27Å; S547-L550 PolarHBondContact OG-N 3.11Å; S547-A551 WeakPolarHBondContact O-CB 3.41Å; S547-A551 PolarHBondContact O-N 2.89Å
548K90.6Very high92.1Very high80 Ų8042.7 Ų42.735%0.34819%0.191SC..Hα-helixtrans-55.2-39.1173.8-74.4-177.6-174.7173.90112.3E362 F363 D364 A551 N552E362-K548 HydrophobicContact CB-CG 3.92Å; F363-K548 PolarHBondContact O-N 3.23Å; D364-K548 VanDerWaalsContact OD1-CD 3.24Å; D364-K548 WeakPolarHBondContact OD1-CD 3.34Å; D364-K548 WeakPolarHBondContact OD1-CE 3.38Å; D364-K548 IonicContact OD1-NZ 2.96Å; D364-K548 PolarHBondContact OD1-NZ 3.17Å; D364-K548 IonicContact OD2-NZ 3.99Å; D364-K548 PolarHBondContact OD2-NZ 3.13Å; K548-A551 PolarHBondContact O-N 3.35Å; K548-N552 WeakPolarHBondContact O-CB 3.31Å; K548-N552 VanDerWaalsContact O-CG 3.25Å; K548-N552 PolarHBondContact O-N 3.07Å; K548-N552 PolarHBondContact O-ND2 2.74Å
549D91.5Very high92.2Very high59 Ų5947.3 Ų47.332%0.31621%0.213SC..Hα-helixtrans-58.5-52.6175.116765000111.8Y526 S547 A551 N552 R553Y526-D549 WeakPolarHBondContact CE1-OD2 3.23Å; Y526-D549 PolarHBondContact OH-OD2 2.96Å; S547-D549 PolarHBondContact O-N 3.12Å; D549-A551 VanDerWaalsContact C-N 3.32Å; D549-A551 PolarHBondContact O-N 3.38Å; D549-N552 PolarHBondContact O-N 3.23Å; D549-R553 WeakPolarHBondContact O-CG 3.22Å; D549-R553 PolarHBondContact O-N 2.93Å; D549-R553 VanDerWaalsContact O-N 3.08Å; D549-R553 IonicContact OD1-CZ 2.65Å; D549-R553 IonicContact OD1-NE 2.67Å; D549-R553 PolarHBondContact OD1-NE 3.31Å; D549-R553 IonicContact OD1-NH2 3.55Å; D549-R553 PolarHBondContact OD1-NH2 3.41Å; D549-R553 IonicContact OD2-NE 3.3Å
550L93.1Very high92.5Very high0 Ų040.6 Ų40.60%018%0.184CC..Hα-helixtrans-63.3-39.4176.9-17857.9000111.4M371 I515 V524 Y526 Y536 L541 L546 S547 N552 R553 L554M371-L550 HydrophobicContact CE-CD2 4.32Å; I515-L550 HydrophobicContact CG2-CD1 4.22Å; V524-L550 HydrophobicContact CG2-CD1 4.48Å; Y526-L550 HydrophobicContact CD1-CD1 4.23Å; Y526-L550 HydrophobicContact CD2-CD1 4.19Å; Y526-L550 HydrophobicContact CG-CD1 3.9Å; Y536-L550 HydrophobicContact CD2-CD2 4.15Å; Y536-L550 HydrophobicContact CE2-CD2 4.29Å; L541-L550 HydrophobicContact CD2-CD2 4.44Å; L546-L550 HydrophobicContact CB-CD2 4.42Å; L546-L550 HydrophobicContact CD1-CG 4.33Å; S547-L550 PolarHBondContact O-N 3.34Å; S547-L550 WeakPolarHBondContact OG-CB 3.27Å; S547-L550 PolarHBondContact OG-N 3.11Å; L550-N552 PolarHBondContact O-N 3.11Å; L550-R553 PolarHBondContact O-N 3.26Å; L550-L554 HydrophobicContact CD1-CG 4.15Å; L550-L554 HydrophobicContact CG-CD1 4.24Å; L550-L554 HydrophobicContact CG-CG 4.31Å; L550-L554 WeakPolarHBondContact O-CB 3.49Å; L550-L554 VanDerWaalsContact O-CG 3.26Å; L550-L554 WeakPolarHBondContact O-CG 3.01Å; L550-L554 PolarHBondContact O-N 3.41Å
551A94Very high92.9Very high0 Ų039.2 Ų39.20%018%0.177CC..Hα-helixtrans-59.4-46.317700000112E362 L546 S547 K548 D549 R553 L554 R555E362-A551 HydrophobicContact CG-CB 3.96Å; E362-A551 WeakPolarHBondContact OE2-CB 3.46Å; L546-A551 HydrophobicContact CD1-CB 3.81Å; L546-A551 HydrophobicContact CG-CB 4.08Å; S547-A551 WeakPolarHBondContact O-CB 3.41Å; S547-A551 PolarHBondContact O-N 2.89Å; K548-A551 PolarHBondContact O-N 3.35Å; D549-A551 VanDerWaalsContact C-N 3.32Å; D549-A551 PolarHBondContact O-N 3.38Å; A551-R553 VanDerWaalsContact C-N 3.35Å; A551-R553 PolarHBondContact O-N 2.92Å; A551-L554 PolarHBondContact O-N 2.69Å; A551-R555 WeakPolarHBondContact O-CG 3.35Å; A551-R555 PolarHBondContact O-N 3.38Å
552N94.9Very high93Very high89 Ų8944 Ų4448%0.47620%0.199SC..Hα-helixtrans-62.4-41177.2-71.8-24.8000112.3K548 D549 L550 L554 R555 Y556K548-N552 WeakPolarHBondContact O-CB 3.31Å; K548-N552 VanDerWaalsContact O-CG 3.25Å; K548-N552 PolarHBondContact O-N 3.07Å; K548-N552 PolarHBondContact O-ND2 2.74Å; D549-N552 PolarHBondContact O-N 3.23Å; L550-N552 PolarHBondContact O-N 3.11Å; N552-L554 VanDerWaalsContact C-N 3.34Å; N552-L554 PolarHBondContact O-N 2.84Å; N552-R555 PolarHBondContact O-N 3.49Å; N552-R555 PolarHBondContact OD1-NH1 2.89Å; N552-Y556 PolarHBondContact O-N 2.86Å
553R96.1Very high93.2Very high24 Ų2444.8 Ų44.89%0.09120%0.202CC..Hα-helixtrans-66.9-36176.2-67.6179.8-171-62.1-0.9112.3F508 D511 I515 Y526 D549 L550 A551 A557F508-R553 VanDerWaalsContact CD1-NH1 3.35Å; F508-R553 HydrophobicContact CD2-CG 4.43Å; F508-R553 HydrophobicContact CE1-CG 4.28Å; F508-R553 HydrophobicContact CE2-CB 3.9Å; F508-R553 HydrophobicContact CE2-CG 3.75Å; F508-R553 HydrophobicContact CZ-CB 3.7Å; F508-R553 HydrophobicContact CZ-CG 3.67Å; D511-R553 IonicContact OD1-NH2 3.44Å; D511-R553 IonicContact OD2-CZ 2.62Å; D511-R553 IonicContact OD2-NH2 2.8Å; D511-R553 PolarHBondContact OD2-NH2 3.26Å; I515-R553 HydrophobicContact CD1-CB 4.4Å; I515-R553 WeakPolarHBondContact CD1-O 3.47Å; I515-R553 HydrophobicContact CG2-CB 4.26Å; Y526-R553 PolarHBondContact OH-NE 3.3Å; D549-R553 WeakPolarHBondContact O-CG 3.22Å; D549-R553 PolarHBondContact O-N 2.93Å; D549-R553 VanDerWaalsContact O-N 3.08Å; D549-R553 IonicContact OD1-CZ 2.65Å; D549-R553 IonicContact OD1-NE 2.67Å; D549-R553 PolarHBondContact OD1-NE 3.31Å; D549-R553 IonicContact OD1-NH2 3.55Å; D549-R553 PolarHBondContact OD1-NH2 3.41Å; D549-R553 IonicContact OD2-NE 3.3Å; L550-R553 PolarHBondContact O-N 3.26Å; A551-R553 VanDerWaalsContact C-N 3.35Å; A551-R553 PolarHBondContact O-N 2.92Å; R553-A557 WeakPolarHBondContact O-CB 3.39Å; R553-A557 PolarHBondContact O-N 2.77Å
554L96.8Very high93.4Very high0 Ų040.5 Ų40.50%018%0.182CC..Hα-helixtrans-69.5-38.1173.8-73.5-173.7000112.4L353 V356 L357 L517 V524 L541 L546 L550 A551 N552 A557 Q558L353-L554 HydrophobicContact CD1-CB 4.04Å; L353-L554 HydrophobicContact CD1-CD1 4.15Å; L353-L554 HydrophobicContact CD1-CD2 3.86Å; L353-L554 HydrophobicContact CD1-CG 4.22Å; V356-L554 HydrophobicContact CG1-CD1 4.43Å; L357-L554 HydrophobicContact CD1-CB 4.4Å; L357-L554 HydrophobicContact CD2-CB 3.97Å; L517-L554 HydrophobicContact CD2-CD2 3.87Å; V524-L554 HydrophobicContact CB-CD2 4.36Å; V524-L554 HydrophobicContact CG2-CD2 4.03Å; L541-L554 HydrophobicContact CD1-CD1 4.26Å; L546-L554 HydrophobicContact CD1-CD1 3.84Å; L550-L554 HydrophobicContact CD1-CG 4.15Å; L550-L554 HydrophobicContact CG-CD1 4.24Å; L550-L554 HydrophobicContact CG-CG 4.31Å; L550-L554 WeakPolarHBondContact O-CB 3.49Å; L550-L554 VanDerWaalsContact O-CG 3.26Å; L550-L554 WeakPolarHBondContact O-CG 3.01Å; L550-L554 PolarHBondContact O-N 3.41Å; A551-L554 PolarHBondContact O-N 2.69Å; N552-L554 VanDerWaalsContact C-N 3.34Å; N552-L554 PolarHBondContact O-N 2.84Å; L554-A557 WeakPolarHBondContact O-CB 3.23Å; L554-A557 PolarHBondContact O-N 3.46Å; L554-Q558 PolarHBondContact O-N 3.42Å
555R96.7Very high93.6Very high84 Ų8439.4 Ų39.432%0.31718%0.18SC..Hα-helixtrans-59.9-48.9170.8-71.3173.5-178.6114.65.3111.1L357 E362 A551 N552 A557 Q558 E559L357-R555 HydrophobicContact CD1-CG 4.23Å; L357-R555 HydrophobicContact CD2-CG 4.14Å; E362-R555 IonicContact OE1-CZ 3.25Å; E362-R555 IonicContact OE1-NH1 3.45Å; E362-R555 IonicContact OE1-NH2 3.83Å; E362-R555 PolarHBondContact OE1-NH2 3.45Å; E362-R555 IonicContact OE2-NH1 2.66Å; E362-R555 PolarHBondContact OE2-NH1 2.84Å; E362-R555 IonicContact OE2-NH2 3.1Å; A551-R555 WeakPolarHBondContact O-CG 3.35Å; A551-R555 PolarHBondContact O-N 3.38Å; N552-R555 PolarHBondContact O-N 3.49Å; N552-R555 PolarHBondContact OD1-NH1 2.89Å; R555-A557 VanDerWaalsContact C-N 3.27Å; R555-A557 PolarHBondContact O-N 2.92Å; R555-Q558 VanDerWaalsContact O-CB 3.31Å; R555-Q558 WeakPolarHBondContact O-CB 3.39Å; R555-Q558 PolarHBondContact O-N 3.28Å; R555-E559 PolarHBondContact O-N 2.93Å; R555-E559 VanDerWaalsContact O-N 3.15Å
556Y97.2Very high92.9Very high37 Ų3743.1 Ų43.115%0.14520%0.203CC..Hα-helixtrans-56.2-43.2174.2179.5-91.6000111.6T491 A494 I506 F508 N552 Q558 E559 M560T491-Y556 VanDerWaalsContact CG2-OH 3.31Å; T491-Y556 WeakPolarHBondContact CG2-OH 3.45Å; T491-Y556 PolarHBondContact OG1-OH 3.32Å; A494-Y556 HydrophobicContact CB-CE1 3.9Å; I506-Y556 HydrophobicContact CD1-CD1 4.2Å; I506-Y556 HydrophobicContact CD1-CE1 4.26Å; I506-Y556 HydrophobicContact CG2-CD1 4.15Å; I506-Y556 HydrophobicContact CG2-CE1 3.77Å; F508-Y556 AromaticContact CE1-CD1 3.54Å; F508-Y556 HydrophobicContact CE1-CD1 3.54Å; F508-Y556 AromaticContact CE1-CE1 3.94Å; F508-Y556 HydrophobicContact CE1-CE1 3.94Å; F508-Y556 HydrophobicContact CE1-CG 4.02Å; F508-Y556 AromaticContact CZ-CD1 3.89Å; F508-Y556 HydrophobicContact CZ-CD1 3.89Å; N552-Y556 PolarHBondContact O-N 2.86Å; Y556-Q558 VanDerWaalsContact C-N 3.32Å; Y556-Q558 PolarHBondContact O-N 3.15Å; Y556-E559 PolarHBondContact O-N 3.05Å; Y556-M560 HydrophobicContact CD1-CG 3.89Å; Y556-M560 HydrophobicContact CD2-CE 4.49Å; Y556-M560 HydrophobicContact CE1-CG 3.41Å; Y556-M560 VanDerWaalsContact CE1-CG 3.41Å; Y556-M560 HydrophobicContact CE1-SD 4.07Å; Y556-M560 HydrophobicContact CE2-CE 3.99Å; Y556-M560 HydrophobicContact CE2-CG 4.46Å; Y556-M560 HydrophobicContact CE2-SD 4.33Å; Y556-M560 WeakPolarHBondContact O-CG 3.34Å; Y556-M560 PolarHBondContact O-N 3.12Å
557A97.5Very high91.8Very high0 Ų052.4 Ų52.40%024%0.243CC..Hα-helixtrans-61.2-39.7176.100000112.9L353 I506 I515 L517 R553 L554 R555 E559 M560 I561L353-A557 HydrophobicContact CD2-CB 4.13Å; I506-A557 HydrophobicContact CD1-CB 3.74Å; I515-A557 HydrophobicContact CD1-CB 3.63Å; L517-A557 HydrophobicContact CD1-CB 3.77Å; R553-A557 WeakPolarHBondContact O-CB 3.39Å; R553-A557 PolarHBondContact O-N 2.77Å; L554-A557 WeakPolarHBondContact O-CB 3.23Å; L554-A557 PolarHBondContact O-N 3.46Å; R555-A557 VanDerWaalsContact C-N 3.27Å; R555-A557 PolarHBondContact O-N 2.92Å; A557-E559 VanDerWaalsContact C-N 3.35Å; A557-E559 PolarHBondContact O-N 2.75Å; A557-M560 PolarHBondContact O-N 3.49Å; A557-I561 WeakPolarHBondContact O-CD1 3.49Å; A557-I561 VanDerWaalsContact O-CG1 3.23Å; A557-I561 WeakPolarHBondContact O-CG1 3.4Å; A557-I561 PolarHBondContact O-N 3.14Å
558Q95.7Very high89.3Confident55 Ų5558.7 Ų58.726%0.25729%0.286SS..Hα-helixtrans-58.4-46.9175.9-169.6178.518.300111.1L353 L357 L554 R555 Y556 M560 I561 E562L353-Q558 HydrophobicContact CD2-CB 4.06Å; L357-Q558 HydrophobicContact CD1-CB 4.21Å; L357-Q558 VanDerWaalsContact CD1-OE1 3.3Å; L554-Q558 PolarHBondContact O-N 3.42Å; R555-Q558 VanDerWaalsContact O-CB 3.31Å; R555-Q558 WeakPolarHBondContact O-CB 3.39Å; R555-Q558 PolarHBondContact O-N 3.28Å; Y556-Q558 VanDerWaalsContact C-N 3.32Å; Y556-Q558 PolarHBondContact O-N 3.15Å; Q558-M560 PolarHBondContact O-N 3.15Å; Q558-I561 PolarHBondContact O-N 3.27Å; Q558-E562 PolarHBondContact O-N 3.09Å
559E95.6Very high86.8Confident106 Ų10658 Ų5850%0.49530%0.302SS..Hα-helixtrans-61.3-41.8175.4-64.2177.5-173.400112.2R555 Y556 A557 I561 E562 R563R555-E559 PolarHBondContact O-N 2.93Å; R555-E559 VanDerWaalsContact O-N 3.15Å; Y556-E559 PolarHBondContact O-N 3.05Å; A557-E559 VanDerWaalsContact C-N 3.35Å; A557-E559 PolarHBondContact O-N 2.75Å; E559-I561 VanDerWaalsContact C-N 3.32Å; E559-I561 PolarHBondContact O-N 2.84Å; E559-E562 PolarHBondContact O-N 3.16Å; E559-R563 PolarHBondContact O-N 2.85Å
560M96.7Very high83.8Confident2 Ų261.7 Ų61.71%0.0133%0.326CS..Hα-helixtrans-66.8-33.4178.8-66.2-51.699.300112.4F489 T491 V496 I506 Y556 A557 Q558 E562 R563 L564F489-M560 HydrophobicContact CE2-SD 3.56Å; F489-M560 VanDerWaalsContact CE2-SD 3.56Å; F489-M560 HydrophobicContact CZ-CB 4.16Å; F489-M560 HydrophobicContact CZ-CG 4.36Å; F489-M560 HydrophobicContact CZ-SD 3.67Å; T491-M560 HydrophobicContact CG2-SD 3.76Å; V496-M560 HydrophobicContact CG1-CB 4.33Å; V496-M560 HydrophobicContact CG2-CB 4.05Å; V496-M560 HydrophobicContact CG2-CG 3.72Å; V496-M560 HydrophobicContact CG2-SD 4Å; I506-M560 HydrophobicContact CD1-CB 4.04Å; I506-M560 HydrophobicContact CD1-CG 4.08Å; Y556-M560 HydrophobicContact CD1-CG 3.89Å; Y556-M560 HydrophobicContact CD2-CE 4.49Å; Y556-M560 HydrophobicContact CE1-CG 3.41Å; Y556-M560 VanDerWaalsContact CE1-CG 3.41Å; Y556-M560 HydrophobicContact CE1-SD 4.07Å; Y556-M560 HydrophobicContact CE2-CE 3.99Å; Y556-M560 HydrophobicContact CE2-CG 4.46Å; Y556-M560 HydrophobicContact CE2-SD 4.33Å; Y556-M560 WeakPolarHBondContact O-CG 3.34Å; Y556-M560 PolarHBondContact O-N 3.12Å; A557-M560 PolarHBondContact O-N 3.49Å; Q558-M560 PolarHBondContact O-N 3.15Å; M560-E562 VanDerWaalsContact C-N 3.31Å; M560-E562 PolarHBondContact O-N 2.94Å; M560-R563 PolarHBondContact O-N 2.91Å; M560-L564 PolarHBondContact O-N 3.34Å
561I95.5Very high80.7Confident0 Ų068 Ų680%037%0.365CS..Hα-helixtrans-62.8-40.1174.5-68.9158.3000110.6L346 L349 K350 L353 L504 A557 Q558 E559 R563 L564 I565L346-I561 HydrophobicContact CB-CG2 4.32Å; L346-I561 HydrophobicContact CD2-CG2 4.26Å; L349-I561 HydrophobicContact CB-CD1 4.34Å; L349-I561 HydrophobicContact CD2-CD1 3.73Å; L349-I561 HydrophobicContact CD2-CG1 4.21Å; L349-I561 HydrophobicContact CG-CD1 3.67Å; K350-I561 HydrophobicContact CB-CG2 3.79Å; K350-I561 HydrophobicContact CG-CG2 4.4Å; L353-I561 HydrophobicContact CD2-CD1 3.85Å; L504-I561 HydrophobicContact CD2-CD1 3.99Å; L504-I561 HydrophobicContact CD2-CG1 3.36Å; A557-I561 WeakPolarHBondContact O-CD1 3.49Å; A557-I561 VanDerWaalsContact O-CG1 3.23Å; A557-I561 WeakPolarHBondContact O-CG1 3.4Å; A557-I561 PolarHBondContact O-N 3.14Å; Q558-I561 PolarHBondContact O-N 3.27Å; E559-I561 VanDerWaalsContact C-N 3.32Å; E559-I561 PolarHBondContact O-N 2.84Å; I561-R563 VanDerWaalsContact C-N 3.27Å; I561-R563 PolarHBondContact O-N 3.25Å; I561-L564 WeakPolarHBondContact O-CB 3.5Å; I561-L564 PolarHBondContact O-N 3.31Å; I561-I565 HydrophobicContact CG2-CD1 3.86Å; I561-I565 HydrophobicContact CG2-CG1 4.35Å; I561-I565 WeakPolarHBondContact O-CG1 3.43Å; I561-I565 PolarHBondContact O-N 3.39Å; I561-I565 VanDerWaalsContact O-N 3.1Å
562E92.4Very high77.5Confident101 Ų10172.9 Ų72.947%0.47240%0.399SS..Hα-helixtrans-62.1-36.1177.7-61.1-168.2151.800112.5K350 Q558 E559 M560 L564 I565K350-E562 HydrophobicContact CD-CG 4.29Å; K350-E562 WeakPolarHBondContact CE-OE1 3.2Å; K350-E562 IonicContact NZ-OE1 3.63Å; K350-E562 PolarHBondContact NZ-OE1 3.27Å; Q558-E562 PolarHBondContact O-N 3.09Å; E559-E562 PolarHBondContact O-N 3.16Å; M560-E562 VanDerWaalsContact C-N 3.31Å; M560-E562 PolarHBondContact O-N 2.94Å; E562-L564 VanDerWaalsContact C-N 3.29Å; E562-L564 PolarHBondContact O-N 3.08Å; E562-I565 PolarHBondContact O-N 2.88Å
563R93.1Very high74.5Confident123 Ų12374.3 Ų74.346%0.46442%0.416SS..Hα-helixtrans-69-27.1174.3-61.7-175.7-173.8-165.22.4112.9F489 E559 M560 I561 M582F489-R563 HydrophobicContact CZ-CB 4.22Å; E559-R563 PolarHBondContact O-N 2.85Å; M560-R563 PolarHBondContact O-N 2.91Å; I561-R563 VanDerWaalsContact C-N 3.27Å; I561-R563 PolarHBondContact O-N 3.25Å; R563-M582 HydrophobicContact CB-CE 4.19Å
564L92.4Very high71.1Confident5 Ų579.2 Ų79.23%0.02644%0.444CS..Hα-helixtrans-82.1-24178-72.5171.8000113.5L346 R487 F489 V496 H498 L504 M560 I561 E562L346-L564 HydrophobicContact CD1-CB 3.59Å; L346-L564 HydrophobicContact CD1-CD1 4.5Å; L346-L564 HydrophobicContact CD2-CB 4.25Å; L346-L564 HydrophobicContact CD2-CD1 3.92Å; R487-L564 HydrophobicContact CB-CD2 3.87Å; R487-L564 PolarHBondContact NH1-O 2.89Å; F489-L564 HydrophobicContact CD1-CD2 4Å; F489-L564 HydrophobicContact CE1-CD2 3.64Å; F489-L564 HydrophobicContact CE1-CG 3.82Å; V496-L564 HydrophobicContact CG1-CD1 4.03Å; H498-L564 HydrophobicContact CB-CD1 4.22Å; L504-L564 HydrophobicContact CD1-CD1 3.55Å; L504-L564 HydrophobicContact CD2-CD1 4.42Å; M560-L564 PolarHBondContact O-N 3.34Å; I561-L564 WeakPolarHBondContact O-CB 3.5Å; I561-L564 PolarHBondContact O-N 3.31Å; E562-L564 VanDerWaalsContact C-N 3.29Å; E562-L564 PolarHBondContact O-N 3.08Å
565I88.2Confident68.1Low49 Ų4985.9 Ų85.925%0.25149%0.485SS..SBendtrans-80.6124.7178.4-65.4169.1000108.7L346 K350 I561 E562 K567L346-I565 HydrophobicContact CB-CD1 4.3Å; L346-I565 HydrophobicContact CB-CG1 3.85Å; L346-I565 HydrophobicContact CD1-CG1 4.42Å; K350-I565 HydrophobicContact CB-CD1 4.46Å; K350-I565 HydrophobicContact CD-CD1 4.07Å; I561-I565 HydrophobicContact CG2-CD1 3.86Å; I561-I565 HydrophobicContact CG2-CG1 4.35Å; I561-I565 WeakPolarHBondContact O-CG1 3.43Å; I561-I565 PolarHBondContact O-N 3.39Å; I561-I565 VanDerWaalsContact O-N 3.1Å; E562-I565 PolarHBondContact O-N 2.88Å; I565-K567 PolarHBondContact O-N 3.34Å
566P73.5Confident65.1Low81 Ų8188.6 Ų88.653%0.52651%0.505SS..PPolyproline II helixtrans-57.6133.4172.8-19.831.1000110.9C568P566-C568 PolarHBondContact O-N 2.94Å
567K66.2Low61.9Low197 Ų19791.6 Ų91.686%0.85752%0.524SS*.PPolyproline II helixtrans-65.5118.9174.5-68.1-177.3178.2-178.60109I565 G569I565-K567 PolarHBondContact O-N 3.34Å; K567-G569 PolarHBondContact O-N 3.49Å
568C37.8Very low59.1Low141 Ų14195.8 Ų95.895%0.95355%0.551SS**THydrogen-bonded Turntrans-66.8110.3171.4-166.90000108.1P566P566-C568 PolarHBondContact O-N 2.94Å
569G37.4Very low56Low66 Ų6698.5 Ų98.568%0.6857%0.567SS**THydrogen-bonded Turntrans158.6-10.5175.800000119.7K567 T571K567-G569 PolarHBondContact O-N 3.49Å; G569-T571 PolarHBondContact O-N 2.79Å
570T29.1Very low52.9Low136 Ų13699 Ų9983%0.83458%0.578SS**  trans-91.492.7172.533.60000111.2S572T570-S572 PolarHBondContact O-N 2.74Å; T570-S572 VanDerWaalsContact O-N 3.13Å
571T26.9Very low49.7Very low133 Ų133107 Ų10782%0.81661%0.613SS**  trans-67.594.7161.547.80000109.3G569G569-T571 PolarHBondContact O-N 2.79Å
572S27.9Very low46.6Very low101 Ų101112.2 Ų112.271%0.70664%0.638SS**SBendtrans-167.5141.1158.2-78.80000107.9T570 N574T570-S572 PolarHBondContact O-N 2.74Å; T570-S572 VanDerWaalsContact O-N 3.13Å; S572-N574 PolarHBondContact O-N 3.07Å
573S31.5Very low43.4Very low120 Ų120113.9 Ų113.984%0.83966%0.656SS**SBendtrans-60.337.6-168.442.90000117.9
574N26.1Very low40.4Very low127 Ų127111.5 Ų111.568%0.67966%0.655SS**  trans-126.557.7176.3-79.7-16.5000112.2S572 N576S572-N574 PolarHBondContact O-N 3.07Å; N574-N576 PolarHBondContact O-N 2.86Å; N574-N576 VanDerWaalsContact O-N 3.09Å
575V33.3Very low37.2Very low140 Ų140117.5 Ų117.585%0.84869%0.687SS**THydrogen-bonded Turntrans-67.4-3.8177.1176.50000113.3
576N32.3Very low34.4Very low140 Ų140122 Ų12275%0.74971%0.711SS**THydrogen-bonded Turntrans-117.739.2178.3-75.1-24.7000113.6N574 P578N574-N576 PolarHBondContact O-N 2.86Å; N574-N576 VanDerWaalsContact O-N 3.09Å; N576-P578 WeakPolarHBondContact O-CD 3.46Å
577D31.1Very low32.3Very low100 Ų100121.3 Ų121.354%0.53572%0.718SS.*  trans-96.989.6167.7-161.1-8.7000111.8N579D577-N579 PolarHBondContact O-N 3.42Å; D577-N579 WeakPolarHBondContact OD1-CA 3.43Å; D577-N579 WeakPolarHBondContact OD1-CB 3.31Å; D577-N579 PolarHBondContact OD1-N 3.3Å
578P38.2Very low30.6Very low88 Ų88121.5 Ų121.557%0.57172%0.719SS**  trans-73.34.9171.630.6-35.4000113.3V413 N576 T580V413-P578 HydrophobicContact CB-CG 4.37Å; V413-P578 HydrophobicContact CG1-CB 3.94Å; V413-P578 HydrophobicContact CG1-CG 3.7Å; V413-P578 HydrophobicContact CG2-CG 4.12Å; N576-P578 WeakPolarHBondContact O-CD 3.46Å; P578-T580 VanDerWaalsContact C-N 3.31Å; P578-T580 PolarHBondContact O-N 3.03Å
579N30.3Very low30.3Very low112 Ų112120.1 Ų120.160%0.59971%0.711SS**  trans-91.925.7-174.5-127.92.3000113.8D577 K581D577-N579 PolarHBondContact O-N 3.42Å; D577-N579 WeakPolarHBondContact OD1-CA 3.43Å; D577-N579 WeakPolarHBondContact OD1-CB 3.31Å; D577-N579 PolarHBondContact OD1-N 3.3Å; N579-K581 PolarHBondContact O-N 3.41Å
580T32.1Very low30.2Very low117 Ų117122.9 Ų122.972%0.71871%0.711SS**  trans-68.777162.5-33.20000109.1P578 M582P578-T580 VanDerWaalsContact C-N 3.31Å; P578-T580 PolarHBondContact O-N 3.03Å; T580-M582 PolarHBondContact O-N 3.38Å
581K29.6Very low30.7Very low170 Ų170124.8 Ų124.874%0.73971%0.707SS**  trans-55.696151.5-79.4-179.9175.2176.50105.5N579 T583N579-K581 PolarHBondContact O-N 3.41Å; K581-T583 PolarHBondContact O-N 3.21Å
582M29.5Very low31.7Very low110 Ų110121.8 Ų121.854%0.54269%0.69SS.*  trans-60.3101.2155.7-76.4-168-170.100105R563 T580 V584R563-M582 HydrophobicContact CB-CE 4.19Å; T580-M582 PolarHBondContact O-N 3.38Å; M582-V584 VanDerWaalsContact C-N 3.29Å; M582-V584 PolarHBondContact O-N 2.67Å
583T25.1Very low33.6Very low136 Ų136119.7 Ų119.783%0.83467%0.673SS**  trans-60.495.6171.135.10000107.5K581K581-T583 PolarHBondContact O-N 3.21Å
584V29.2Very low35.2Very low73 Ų73114.9 Ų114.944%0.44264%0.639SS.*  trans-84.9124.4161.1-174.90000105.8M582 N586M582-V584 VanDerWaalsContact C-N 3.29Å; M582-V584 PolarHBondContact O-N 2.67Å; V584-N586 PolarHBondContact O-N 3.16Å
585D27Very low37Very low131 Ų131109.3 Ų109.370%0.70161%0.611SS**  trans-34.1104.3174.1-15712.9000112.3R492 G587R492-D585 IonicContact NH2-OD2 2.75Å; D585-G587 VanDerWaalsContact C-N 3.34Å; D585-G587 PolarHBondContact O-N 3.39Å
586N28.9Very low38.3Very low144 Ų144104.1 Ų104.177%0.7758%0.578SS**  trans-79.782-178.1-96-15.5000109.7V584 K588V584-N586 PolarHBondContact O-N 3.16Å; N586-K588 PolarHBondContact O-N 3.43Å
587G29.7Very low39.1Very low65 Ų65101.5 Ų101.567%0.6757%0.567SS**  trans-71.1102.8159.700000111.1D585D585-G587 VanDerWaalsContact C-N 3.34Å; D585-G587 PolarHBondContact O-N 3.39Å
588K30.3Very low39.7Very low201 Ų201100.9 Ų100.987%0.87456%0.561SS**SBendtrans45.9115.2152.3-62.7-179.2179.61780119.5N586N586-K588 PolarHBondContact O-N 3.43Å
589S30.4Very low39.4Very low113 Ų113105.8 Ų105.879%0.7957%0.573SS**  trans63.284.7151170.60000117.8K591S589-K591 PolarHBondContact O-N 3.09Å
590N36.8Very low39.3Very low124 Ų124106 Ų10666%0.66358%0.579SS**  trans-89.1107.2176.4-77.2-16.5000112.7
591K38.5Very low39Very low175 Ų175107.4 Ų107.476%0.76158%0.582SS**  trans-70.8153.4152-72.2-178.3179178.40108.7S589 V593S589-K591 PolarHBondContact O-N 3.09Å; K591-V593 PolarHBondContact O-N 3.37Å
592P47.4Very low38.8Very low71 Ų71103.3 Ų103.346%0.46158%0.58SS.*  trans-54.9133.8172.221.9-32.1000110.2Y391Y391-P592 HydrophobicContact CD2-CB 4.2Å; Y391-P592 HydrophobicContact CE2-CB 4.5Å
593V67.7Low38.5Very low57 Ų57105 Ų10535%0.34560%0.597SS.*EExtended strand (participates in β ladder)trans-112.2137179.5-178.40000109.1W388 D390 K591W388-V593 HydrophobicContact CH2-CG1 4.18Å; D390-V593 PolarHBondContact N-O 3.16Å; D390-V593 VanDerWaalsContact N-O 3.09Å; K591-V593 PolarHBondContact O-N 3.37Å
594S66.5Low38.6Very low18 Ų18101.4 Ų101.413%0.12659%0.587CS.*EExtended strand (participates in β ladder)trans-130.6161.5-178.764.40000112.4L464 V597L464-S594 VanDerWaalsContact CD2-OG 3.31Å; L464-S594 WeakPolarHBondContact CD2-OG 3.32Å; S594-V597 WeakPolarHBondContact OG-CG2 3.48Å
595A64Low38.4Very low10 Ų10104.8 Ų104.88%0.08361%0.608CS.*SBendtrans-66.6133.9166.300000111W388 L464 V597W388-A595 HydrophobicContact CG-CB 4.43Å; W388-A595 PolarHBondContact O-N 3.34Å; W388-A595 VanDerWaalsContact O-N 3.14Å; L464-A595 VanDerWaalsContact CD2-O 3.26Å; L464-A595 WeakPolarHBondContact CD2-O 3.36Å; A595-V597 PolarHBondContact O-N 3.4Å
596D59.9Low38.3Very low32 Ų32102.3 Ų102.317%0.17161%0.613CS.*SBendtrans36.477.9164.2-56-0.6000115.7L465 H512 R531L465-D596 HydrophobicContact CD1-CB 4.27Å; L465-D596 PolarHBondContact N-O 3.33Å; H512-D596 IonicContact CE1-OD1 3.81Å; H512-D596 PolarHBondContact CE1-OD1 3.09Å; H512-D596 VanDerWaalsContact CE1-OD1 3.3Å; H512-D596 IonicContact CG-OD1 2.65Å; H512-D596 IonicContact ND1-OD1 3.36Å; H512-D596 PolarHBondContact ND1-OD1 3.19Å; R531-D596 IonicContact NH2-OD2 2.66Å; R531-D596 PolarHBondContact NH2-OD2 3.17Å
597V50.3Low38.2Very low85 Ų85100 Ų10052%0.51561%0.613SS.*BIsolated β-bridgetrans-64.2139.9175.1-178.40000110.4S594 A595 K599S594-V597 WeakPolarHBondContact OG-CG2 3.48Å; A595-V597 PolarHBondContact O-N 3.4Å; V597-K599 PolarHBondContact O-N 3.04Å
598Q42Very low38Very low86 Ų86101.8 Ų101.840%0.40262%0.622SS.*  trans-59.3102.8164.5-72179.217.600109.1N463 L465 T600N463-Q598 PolarHBondContact O-N 2.97Å; L465-Q598 HydrophobicContact CD2-CG 3.98Å; L465-Q598 HydrophobicContact CG-CG 4.4Å; Q598-T600 PolarHBondContact O-N 3.38Å
599K33.3Very low37.9Very low191 Ų19198.2 Ų98.283%0.8362%0.617SS**  trans-6999.1162.8-79.4-174.5178.5177.50107.1V597 N601V597-K599 PolarHBondContact O-N 3.04Å; K599-N601 VanDerWaalsContact C-N 3.3Å; K599-N601 PolarHBondContact O-N 3.34Å
600T28Very low37.7Very low118 Ų118102 Ų10272%0.72462%0.62SS**  trans-66.496.5160.945.30000107.2Q598 A602Q598-T600 PolarHBondContact O-N 3.38Å; T600-A602 PolarHBondContact O-N 3.44Å
601N24.3Very low37.1Very low145 Ų145105.6 Ų105.678%0.77563%0.629SS**  trans-68.980.4160.4-80.4-7.2000107.3K599K599-N601 VanDerWaalsContact C-N 3.3Å; K599-N601 PolarHBondContact O-N 3.34Å
602A26Very low36.5Very low84 Ų84105.5 Ų105.569%0.69464%0.635SS**  trans-10464.6162.900000108.2T600 G604T600-A602 PolarHBondContact O-N 3.44Å; A602-G604 PolarHBondContact O-N 3.12Å
603T24.4Very low35.6Very low147 Ų147107.9 Ų107.990%0.90265%0.649SS**  trans-72.271.6147.337.90000107.2
604G26.2Very low33.5Very low60 Ų60116.1 Ų116.162%0.61967%0.673SS**  trans-122.9103.4174.300000107.6A602 G606A602-G604 PolarHBondContact O-N 3.12Å; G604-G606 PolarHBondContact O-N 3.34Å
605T24.8Very low31.9Very low144 Ų144121.5 Ų121.588%0.88371%0.708SS**  trans-44.3128.5173.844.20000113
606G24.3Very low30.2Very low79 Ų79127.3 Ų127.381%0.81474%0.743SS**  trans44.1106.1146.500000119.3G604G604-G606 PolarHBondContact O-N 3.34Å
607A27.3Very low28.6Very low94 Ų94133.5 Ų133.578%0.77778%0.776SS**  trans-161.5109.1133.700000109.2T609A607-T609 PolarHBondContact O-N 3.49Å
608A25.7Very low27.7Very low103 Ų103142.4 Ų142.485%0.85181%0.812SS**  trans-65.3120.2169.300000109.7
609T27.8Very low27Very low127 Ų127145.2 Ų145.278%0.77983%0.832SS**  trans-147.899.3158.2-5.40000112.3A607A607-T609 PolarHBondContact O-N 3.49Å
610K26.8Very low26.6Very low193 Ų193142.8 Ų142.884%0.83983%0.832SS**  trans35.9111.3141-70.6178.7175.8176.90119.4I612K610-I612 PolarHBondContact O-N 3.43Å
611K24.2Very low26.6Very low199 Ų199144.2 Ų144.287%0.86584%0.838SS**  trans-15.1117.6141.2-70.9173.7173.11770113.9
612I26.1Very low26.7Very low172 Ų172144.1 Ų144.188%0.88284%0.842SS**  trans-99.1107.5156.4-63.7176.7000106.6K610K610-I612 PolarHBondContact O-N 3.43Å
613T28.3Very low26.7Very low121 Ų121147.9 Ų147.974%0.74285%0.851SS**PPolyproline II helixtrans-75.6144.7174.229.80000111.5
614R24.3Very low26.9Very low230 Ų230147.9 Ų147.987%0.86885%0.848SS**PPolyproline II helixtrans-54.5147.3175.8-68.5173.6171.5-179.1-3.7112.9
615P31.4Very low27Very low132 Ų132154.2 Ų154.286%0.85786%0.864SS**PPolyproline II helixtrans-84.6122.1158.531-24.3000109.7
616T29.2Very low27.1Very low132 Ų132155 Ų15581%0.8186%0.863SS**PPolyproline II helixtrans-97.9134.4162.337.40000108.9
617N25.8Very low27.3Very low161 Ų161161.3 Ų161.386%0.86187%0.867SS**  trans-34.8128.8174.4-65.1-17.1000115.1
618Q31.2Very low27.4Very low272 Ų272167.5 Ų167.5100%1.27188%0.875SS**  -133.70125.5-86.8-172-100108

Retrieved 618 of 618 residues in 240.8 ms (Link to these results)

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