A0A077ZCG9_TRITR Loading...

2-deoxy-D-ribose 5-phosphate aldolase

AlphaFold DB , UniProt , Accession A0A077ZCG9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 555 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
1M30Very low54.3Low239 Ų239114.3 Ų114.3100%1.17761%0.612SS**  0122.40-86.1-177.3-92.200108
2V26.6Very low56.5Low124 Ų124115.9 Ų115.975%0.75261%0.613SS**  trans-94.8100.4169.3-175.20000106.4C4V2-C4 PolarHBondContact O-N 2.8Å
3S31.3Very low58.7Low75 Ų75124.2 Ų124.252%0.52463%0.631SS.*  trans-81.991.8174.937.10000109.1F5S3-F5 PolarHBondContact O-N 3Å; S3-F5 VanDerWaalsContact O-N 3.16Å
4C35.6Very low60.8Low111 Ų111116.1 Ų116.175%0.7559%0.591SS**  trans-76.695.3168.4-64.60000108.7V2V2-C4 PolarHBondContact O-N 2.8Å
5F45.5Very low62.8Low173 Ų173108.5 Ų108.576%0.75955%0.552SS**PPolyproline II helixtrans-75.9122.9171.5-69.1-83.6000109.6S3S3-F5 PolarHBondContact O-N 3Å; S3-F5 VanDerWaalsContact O-N 3.16Å
6K51.7Low64.5Low188 Ų188107.4 Ų107.482%0.81754%0.544SS*.PPolyproline II helixtrans-70.4138.2168.2-157.9177.4-177.4-1730107.9L8K6-L8 PolarHBondContact O-N 3.1Å
7P58.1Low65.6Low57 Ų57103 Ų10337%0.3753%0.525SS..PPolyproline II helixtrans-51.4141.5173.6-24.832.7000110.9T176P7-T176 HydrophobicContact CB-CG2 4.19Å; P7-T176 HydrophobicContact CG-CG2 4Å
8L72.5Confident66.1Low53 Ų5399.7 Ų99.728%0.27752%0.521SS..PPolyproline II helixtrans-68.7141.8177-70.6167.2000108.9K6 L212 F244 F248K6-L8 PolarHBondContact O-N 3.1Å; L8-L212 HydrophobicContact CB-CD2 3.84Å; L8-L212 HydrophobicContact CD1-CD2 4.2Å; L8-L212 PolarHBondContact N-O 3.35Å; L8-F244 HydrophobicContact CD1-CE2 3.78Å; L8-F244 HydrophobicContact CD1-CZ 3.49Å; L8-F244 VanDerWaalsContact CD1-CZ 3.49Å; L8-F248 HydrophobicContact CD1-CB 4.31Å; L8-F248 HydrophobicContact CD1-CD1 3.91Å; L8-F248 HydrophobicContact CD1-CD2 4.34Å; L8-F248 HydrophobicContact CD1-CE1 4.29Å; L8-F248 HydrophobicContact CD1-CG 3.94Å; L8-F248 HydrophobicContact CD2-CD1 3.95Å; L8-F248 HydrophobicContact CD2-CE1 4.23Å
9D75.2Confident66.6Low149 Ų149104.1 Ų104.180%0.79754%0.542SS*.PPolyproline II helixtrans-73.6139.2-178.3-158.15.9000111.1
10F87.5Confident67.8Low40 Ų40100.4 Ų100.418%0.17552%0.522CS..PPolyproline II helixtrans-79.9136.2-176.9176.9-94.6000111.2Q12 V15 W168 D169 H172 V209 L212F10-Q12 HydrophobicContact CE1-CG 4.09Å; F10-Q12 HydrophobicContact CZ-CG 4.37Å; F10-V15 HydrophobicContact CD2-CG1 4.44Å; F10-V15 HydrophobicContact CE2-CG1 3.77Å; F10-V15 HydrophobicContact CE2-CG2 4.37Å; F10-V15 HydrophobicContact CZ-CG1 4.5Å; F10-V15 HydrophobicContact CZ-CG2 4.33Å; F10-W168 HydrophobicContact CE2-CB 4.25Å; F10-W168 HydrophobicContact CZ-CB 3.95Å; F10-D169 HydrophobicContact CD1-CB 4.32Å; F10-D169 HydrophobicContact CE1-CB 3.9Å; F10-D169 HydrophobicContact CZ-CB 4.44Å; F10-H172 HydrophobicContact CD2-CB 3.94Å; F10-H172 AromaticContact CD2-CD2 3.96Å; F10-H172 AromaticContact CD2-CG 3.93Å; F10-H172 HydrophobicContact CE2-CB 4.49Å; F10-H172 HydrophobicContact CG-CB 4.33Å; F10-V209 HydrophobicContact CE2-CG2 4Å; F10-L212 HydrophobicContact CD2-CD1 4.3Å
11S83.4Confident68.8Low48 Ų4899.4 Ų99.434%0.33652%0.518SS..  trans-144.8130.7169.9154.60000110.2R13 V14S11-R13 PolarHBondContact O-N 2.95Å; S11-R13 VanDerWaalsContact O-N 3.15Å; S11-R13 PolarHBondContact OG-N 3.02Å; S11-V14 WeakPolarHBondContact O-CB 3.31Å; S11-V14 PolarHBondContact O-N 3.32Å
12Q80.6Confident71.7Confident134 Ų13493 Ų9363%0.62649%0.485SS*.Hα-helixtrans-52.2-39.7178.5-77.6-173.1-19.600112.6F10 V14 V15 E16F10-Q12 HydrophobicContact CE1-CG 4.09Å; F10-Q12 HydrophobicContact CZ-CG 4.37Å; Q12-V14 PolarHBondContact O-N 3.49Å; Q12-V14 VanDerWaalsContact O-N 3.15Å; Q12-V15 WeakPolarHBondContact O-CG2 3.4Å; Q12-V15 PolarHBondContact O-N 2.95Å; Q12-E16 PolarHBondContact O-N 3.28Å
13R85.6Confident74.8Confident223 Ų22394.3 Ų94.384%0.84248%0.483SS*.Hα-helixtrans-64.7-19.8178.7-66.1-175.9-178.9-178.70.4114.4S11S11-R13 PolarHBondContact O-N 2.95Å; S11-R13 VanDerWaalsContact O-N 3.15Å; S11-R13 PolarHBondContact OG-N 3.02Å
14V87.5Confident77.7Confident12 Ų1293.6 Ų93.67%0.07347%0.473CS..Hα-helixtrans-82.8-29.8180-177.80000110.5S11 Q12 M208 L212 F248S11-V14 WeakPolarHBondContact O-CB 3.31Å; S11-V14 PolarHBondContact O-N 3.32Å; Q12-V14 PolarHBondContact O-N 3.49Å; Q12-V14 VanDerWaalsContact O-N 3.15Å; V14-M208 HydrophobicContact CG1-CE 3.84Å; V14-M208 VanDerWaalsContact O-CE 3.29Å; V14-M208 WeakPolarHBondContact O-CE 3.23Å; V14-L212 HydrophobicContact CB-CD1 4.33Å; V14-L212 HydrophobicContact CG1-CD1 3.99Å; V14-L212 HydrophobicContact CG1-CD2 4.24Å; V14-F248 HydrophobicContact CG1-CE2 4.03Å; V14-F248 HydrophobicContact CG1-CZ 3.94Å
15V90.7Very high80.5Confident1 Ų188.3 Ų88.31%0.00644%0.437CS..Hα-helixtrans-89.3-15.5-177.8-57.10000112.8F10 Q12 R205 M208 V209 L212F10-V15 HydrophobicContact CD2-CG1 4.44Å; F10-V15 HydrophobicContact CE2-CG1 3.77Å; F10-V15 HydrophobicContact CE2-CG2 4.37Å; F10-V15 HydrophobicContact CZ-CG1 4.5Å; F10-V15 HydrophobicContact CZ-CG2 4.33Å; Q12-V15 WeakPolarHBondContact O-CG2 3.4Å; Q12-V15 PolarHBondContact O-N 2.95Å; V15-R205 WeakPolarHBondContact O-CG 3.36Å; V15-M208 HydrophobicContact CB-CB 4.14Å; V15-M208 HydrophobicContact CG1-CB 3.87Å; V15-V209 HydrophobicContact CG1-CG2 3.93Å; V15-L212 HydrophobicContact CG1-CD1 3.77Å
16E89.6Confident82.9Confident92 Ų9284 Ų8443%0.4342%0.419SS..SBendtrans-61.6131.2172.5-67.9-53.5149.100110.9Q12 R205Q12-E16 PolarHBondContact O-N 3.28Å; E16-R205 IonicContact OE1-NE 2.72Å; E16-R205 IonicContact OE2-CZ 3.96Å; E16-R205 IonicContact OE2-NE 3.65Å; E16-R205 PolarHBondContact OE2-NE 3.21Å; E16-R205 IonicContact OE2-NH2 3.43Å; E16-R205 PolarHBondContact OE2-NH2 3.11Å
17P83.8Confident84.8Confident32 Ų3281.8 Ų81.821%0.20841%0.412CS..  trans-6514717728.4-33.8000110.9F20 A201 Y204P17-F20 HydrophobicContact CB-CD1 3.93Å; P17-F20 HydrophobicContact CB-CE1 3.35Å; P17-F20 HydrophobicContact CB-CZ 4.28Å; P17-F20 HydrophobicContact CG-CE1 4.36Å; P17-A201 HydrophobicContact CG-CB 4.18Å; P17-Y204 VanDerWaalsContact CA-CE1 3.43Å; P17-Y204 HydrophobicContact CB-CD1 3.67Å; P17-Y204 HydrophobicContact CB-CE1 4.03Å; P17-Y204 HydrophobicContact CB-CG 3.95Å
18G74.8Confident86.5Confident44 Ų4480 Ų8045%0.45440%0.402SS..  trans-61.4179.5159.800000110.8F20G18-F20 PolarHBondContact O-N 3.35Å
19I76.3Confident87.7Confident182 Ų18280.1 Ų80.193%0.93340%0.399SS*.SBendtrans-66.1108.9173.8-59.1174.5000107.7
20F90.5Very high88.6Confident30 Ų3076.1 Ų76.113%0.13238%0.382CS..  trans-148.8151.4159.876.2-91.2000108.7P17 G18 D24 I25 Y204 P236 L239P17-F20 HydrophobicContact CB-CD1 3.93Å; P17-F20 HydrophobicContact CB-CE1 3.35Å; P17-F20 HydrophobicContact CB-CZ 4.28Å; P17-F20 HydrophobicContact CG-CE1 4.36Å; G18-F20 PolarHBondContact O-N 3.35Å; F20-D24 WeakPolarHBondContact CA-OD2 3.24Å; F20-I25 HydrophobicContact CD2-CD1 4.36Å; F20-I25 HydrophobicContact CE2-CD1 4.23Å; F20-Y204 AromaticContact CE1-CD2 3.99Å; F20-Y204 HydrophobicContact CE1-CD2 3.99Å; F20-Y204 HydrophobicContact CE1-CG 4.08Å; F20-P236 HydrophobicContact CE2-CB 4.24Å; F20-P236 HydrophobicContact CZ-CB 4.04Å; F20-L239 HydrophobicContact CB-CD2 4.01Å; F20-L239 HydrophobicContact CD1-CD2 3.36Å; F20-L239 HydrophobicContact CD2-CD2 4.44Å; F20-L239 HydrophobicContact CE1-CD2 3.81Å; F20-L239 HydrophobicContact CG-CD2 3.7Å
21D89.1Confident88.9Confident81 Ų8180.3 Ų80.343%0.43340%0.398SS..  trans-135.4-173.5175.464.732.3000112.6E23 D24 I25D21-E23 VanDerWaalsContact C-N 3.25Å; D21-E23 PolarHBondContact O-N 3.39Å; D21-E23 WeakPolarHBondContact OD1-CA 3.5Å; D21-E23 VanDerWaalsContact OD1-CB 3.26Å; D21-E23 WeakPolarHBondContact OD1-CB 3.35Å; D21-E23 PolarHBondContact OD1-N 3.27Å; D21-D24 PolarHBondContact N-OD2 3.14Å; D21-D24 PolarHBondContact OD1-N 3.06Å; D21-D24 VanDerWaalsContact OD1-N 3.11Å; D21-I25 WeakPolarHBondContact O-CG1 3.34Å; D21-I25 PolarHBondContact O-N 3.01Å
22E89.8Confident89.5Confident103 Ų10378.1 Ų78.148%0.48138%0.382SS..Hα-helixtrans-69.9-22.2-179.6-65.8-63.6153.200112.7Q26 S200E22-Q26 WeakPolarHBondContact O-CB 3.35Å; E22-Q26 PolarHBondContact O-N 3.37Å; E22-S200 WeakPolarHBondContact OE1-CB 3.23Å; E22-S200 PolarHBondContact OE1-OG 2.99Å
23E92.1Very high90.2Very high153 Ų15373.7 Ų73.772%0.71536%0.363SS*.Hα-helixtrans-72.1-42.5176.7-166.3170-173.300110.2D21 I25 Q26 E27D21-E23 VanDerWaalsContact C-N 3.25Å; D21-E23 PolarHBondContact O-N 3.39Å; D21-E23 WeakPolarHBondContact OD1-CA 3.5Å; D21-E23 VanDerWaalsContact OD1-CB 3.26Å; D21-E23 WeakPolarHBondContact OD1-CB 3.35Å; D21-E23 PolarHBondContact OD1-N 3.27Å; E23-I25 VanDerWaalsContact C-N 3.3Å; E23-I25 PolarHBondContact O-N 3.33Å; E23-Q26 PolarHBondContact O-N 2.89Å; E23-Q26 VanDerWaalsContact O-N 3.13Å; E23-E27 PolarHBondContact O-N 3.3Å
24D91.5Very high90.6Very high59 Ų5965 Ų6532%0.31634%0.343SS..Hα-helixtrans-56.9-43.5172.8-64.6-52.8000111.9F20 D21 A28F20-D24 WeakPolarHBondContact CA-OD2 3.24Å; D21-D24 PolarHBondContact N-OD2 3.14Å; D21-D24 PolarHBondContact OD1-N 3.06Å; D21-D24 VanDerWaalsContact OD1-N 3.11Å; D24-A28 WeakPolarHBondContact O-CB 3.48Å; D24-A28 PolarHBondContact O-N 3.33Å
25I94.9Very high90.9Very high0 Ų068 Ų680%035%0.353CS..Hα-helixtrans-65.9-42.3178.4-59.1170.4000109.9F20 D21 E23 A28 R29 F231 Y232 Y235F20-I25 HydrophobicContact CD2-CD1 4.36Å; F20-I25 HydrophobicContact CE2-CD1 4.23Å; D21-I25 WeakPolarHBondContact O-CG1 3.34Å; D21-I25 PolarHBondContact O-N 3.01Å; E23-I25 VanDerWaalsContact C-N 3.3Å; E23-I25 PolarHBondContact O-N 3.33Å; I25-A28 PolarHBondContact O-N 3.15Å; I25-R29 WeakPolarHBondContact O-CB 3.47Å; I25-R29 PolarHBondContact O-N 2.93Å; I25-F231 HydrophobicContact CG2-CD1 4.29Å; I25-F231 HydrophobicContact CG2-CE1 4.02Å; I25-F231 WeakPolarHBondContact O-CE1 3.1Å; I25-Y232 HydrophobicContact CG2-CD1 3.49Å; I25-Y232 VanDerWaalsContact CG2-CD1 3.49Å; I25-Y232 HydrophobicContact CG2-CE1 4.09Å; I25-Y232 HydrophobicContact CG2-CG 4.28Å; I25-Y235 HydrophobicContact CB-CD1 4.5Å; I25-Y235 HydrophobicContact CD1-CD1 4.46Å; I25-Y235 HydrophobicContact CG1-CD1 3.62Å; I25-Y235 HydrophobicContact CG1-CE1 4.03Å; I25-Y235 HydrophobicContact CG1-CG 4.18Å; I25-Y235 HydrophobicContact CG2-CG 4.42Å
26Q94.9Very high91.1Very high83 Ų8369 Ų6939%0.38836%0.358SS..Hα-helixtrans-68-37.2-179.4-172.857.449.400112.8E22 E23 R29 S30 Y232E22-Q26 WeakPolarHBondContact O-CB 3.35Å; E22-Q26 PolarHBondContact O-N 3.37Å; E23-Q26 PolarHBondContact O-N 2.89Å; E23-Q26 VanDerWaalsContact O-N 3.13Å; Q26-R29 PolarHBondContact O-N 3.13Å; Q26-S30 PolarHBondContact O-N 3.39Å; Q26-S30 PolarHBondContact O-OG 3.41Å; Q26-Y232 PolarHBondContact OE1-OH 3.49Å
27E93.4Very high91.3Very high141 Ų14172.5 Ų72.566%0.65937%0.374SS*.Hα-helixtrans-64-48.9173.1-173.5178.3-177.700110.6E23 R29 S30 Y31E23-E27 PolarHBondContact O-N 3.3Å; E27-R29 VanDerWaalsContact C-N 3.27Å; E27-R29 PolarHBondContact O-N 3.13Å; E27-S30 PolarHBondContact O-N 3.13Å; E27-S30 VanDerWaalsContact O-N 3.12Å; E27-Y31 PolarHBondContact O-N 2.86Å
28A93.4Very high91.6Very high19 Ų1973.6 Ų73.616%0.15739%0.392CS..Hα-helixtrans-60.2-38.3176.900000112.1D24 I25 Y31 M32 F231 Y235D24-A28 WeakPolarHBondContact O-CB 3.48Å; D24-A28 PolarHBondContact O-N 3.33Å; I25-A28 PolarHBondContact O-N 3.15Å; A28-Y31 PolarHBondContact O-N 3.27Å; A28-M32 WeakPolarHBondContact O-CG 3.29Å; A28-M32 PolarHBondContact O-N 2.74Å; A28-F231 HydrophobicContact CB-CE1 4.34Å; A28-F231 HydrophobicContact CB-CZ 3.93Å; A28-Y235 HydrophobicContact CB-CD2 3.63Å; A28-Y235 HydrophobicContact CB-CE2 3.35Å
29R96.5Very high92.2Very high57 Ų5772.9 Ų72.922%0.21538%0.377CS..Hα-helixtrans-59.8-49174.7177.362.5-161-152.310110.8I25 Q26 E27 Y31 M32 D33 F231I25-R29 WeakPolarHBondContact O-CB 3.47Å; I25-R29 PolarHBondContact O-N 2.93Å; Q26-R29 PolarHBondContact O-N 3.13Å; E27-R29 VanDerWaalsContact C-N 3.27Å; E27-R29 PolarHBondContact O-N 3.13Å; R29-Y31 VanDerWaalsContact C-N 3.3Å; R29-Y31 PolarHBondContact O-N 2.84Å; R29-M32 PolarHBondContact O-N 2.95Å; R29-D33 IonicContact CZ-OD1 3.34Å; R29-D33 IonicContact CZ-OD2 3.56Å; R29-D33 VanDerWaalsContact NE-CG 3.3Å; R29-D33 IonicContact NE-OD1 3.5Å; R29-D33 PolarHBondContact NE-OD1 3.3Å; R29-D33 IonicContact NE-OD2 2.93Å; R29-D33 PolarHBondContact NE-OD2 2.89Å; R29-D33 IonicContact NH2-OD1 3.78Å; R29-D33 PolarHBondContact NH2-OD1 2.96Å; R29-D33 IonicContact NH2-OD2 2.84Å; R29-D33 PolarHBondContact O-N 3.44Å; R29-F231 HydrophobicContact CB-CD1 3.61Å; R29-F231 HydrophobicContact CB-CE1 3.46Å; R29-F231 VanDerWaalsContact CB-CE1 3.46Å; R29-F231 HydrophobicContact CB-CG 4.45Å; R29-F231 HydrophobicContact CB-CZ 4.18Å; R29-F231 VanDerWaalsContact CD-CD1 3.44Å; R29-F231 VanDerWaalsContact CD-CG 3.47Å; R29-F231 HydrophobicContact CG-CD1 4.03Å; R29-F231 HydrophobicContact CG-CE1 4.35Å; R29-F231 VanDerWaalsContact N-CE1 3.34Å
30S94.9Very high92.8Very high64 Ų6467.8 Ų67.845%0.44836%0.355SS..Hα-helixtrans-63-39.5-177.9-54.60000111.2Q26 E27 G34Q26-S30 PolarHBondContact O-N 3.39Å; Q26-S30 PolarHBondContact O-OG 3.41Å; E27-S30 PolarHBondContact O-N 3.13Å; E27-S30 VanDerWaalsContact O-N 3.12Å; S30-G34 PolarHBondContact O-N 3.23Å; S30-G34 VanDerWaalsContact O-N 3.13Å
31Y94.2Very high92.4Very high128 Ų12872.1 Ų72.150%0.50238%0.375SS..Hα-helixtrans-63.9-43.9174179.3-112000112.2E27 A28 R29 G34 R35 H275E27-Y31 PolarHBondContact O-N 2.86Å; A28-Y31 PolarHBondContact O-N 3.27Å; R29-Y31 VanDerWaalsContact C-N 3.3Å; R29-Y31 PolarHBondContact O-N 2.84Å; Y31-G34 PolarHBondContact O-N 3.16Å; Y31-R35 HydrophobicContact CE1-CG 4.37Å; Y31-R35 PolarHBondContact O-N 3.38Å; Y31-H275 AromaticContact CE1-CE1 3.56Å; Y31-H275 AromaticContact CE1-ND1 3.71Å
32M95.9Very high92.1Very high2 Ų272.2 Ų72.21%0.0138%0.376CS..Hα-helixtrans-67.1-38176.8-70.8-61.6105.500113.3A28 R29 G34 R35 L36 F231 I268 L271 V272 H275A28-M32 WeakPolarHBondContact O-CG 3.29Å; A28-M32 PolarHBondContact O-N 2.74Å; R29-M32 PolarHBondContact O-N 2.95Å; M32-G34 VanDerWaalsContact C-N 3.29Å; M32-G34 PolarHBondContact O-N 3.32Å; M32-R35 HydrophobicContact CE-CG 4.45Å; M32-R35 PolarHBondContact O-N 3.06Å; M32-L36 WeakPolarHBondContact O-CB 3.35Å; M32-L36 PolarHBondContact O-N 2.96Å; M32-F231 HydrophobicContact CB-CE2 4.11Å; M32-F231 HydrophobicContact CG-CE2 3.66Å; M32-F231 HydrophobicContact CG-CZ 4.19Å; M32-I268 HydrophobicContact CB-CD1 3.76Å; M32-L271 HydrophobicContact SD-CB 3.6Å; M32-V272 HydrophobicContact CG-CB 4.46Å; M32-V272 HydrophobicContact SD-CB 4.47Å; M32-H275 HydrophobicContact CE-CB 3.79Å; M32-H275 HydrophobicContact SD-CB 4.29Å
33D95.2Very high91.8Very high42 Ų4271 Ų7123%0.22537%0.37CS..Hα-helixtrans-61.8-39.8174.7-74.6-32.6000110.9R29 L36 Q37R29-D33 IonicContact CZ-OD1 3.34Å; R29-D33 IonicContact CZ-OD2 3.56Å; R29-D33 VanDerWaalsContact NE-CG 3.3Å; R29-D33 IonicContact NE-OD1 3.5Å; R29-D33 PolarHBondContact NE-OD1 3.3Å; R29-D33 IonicContact NE-OD2 2.93Å; R29-D33 PolarHBondContact NE-OD2 2.89Å; R29-D33 IonicContact NH2-OD1 3.78Å; R29-D33 PolarHBondContact NH2-OD1 2.96Å; R29-D33 IonicContact NH2-OD2 2.84Å; R29-D33 PolarHBondContact O-N 3.44Å; D33-L36 PolarHBondContact O-N 3.12Å; D33-Q37 WeakPolarHBondContact O-CB 3.48Å; D33-Q37 VanDerWaalsContact O-CG 3.28Å; D33-Q37 WeakPolarHBondContact O-CG 3.34Å; D33-Q37 PolarHBondContact O-N 3.42Å
34G94.3Very high91.8Very high41 Ų4166.9 Ų66.942%0.42335%0.348SS..Hα-helixtrans-62.1-43.7172.800000113S30 Y31 M32 Q37 G38S30-G34 PolarHBondContact O-N 3.23Å; S30-G34 VanDerWaalsContact O-N 3.13Å; Y31-G34 PolarHBondContact O-N 3.16Å; M32-G34 VanDerWaalsContact C-N 3.29Å; M32-G34 PolarHBondContact O-N 3.32Å; G34-Q37 PolarHBondContact O-N 3.49Å; G34-G38 PolarHBondContact O-N 2.8Å; G34-G38 VanDerWaalsContact O-N 3.07Å
35R93.3Very high91.7Very high75 Ų7566 Ų6628%0.28334%0.34SS..Hα-helixtrans-61.9-45.7174.2-70.8-169.969.3-155.3-1111.8Y31 M32 Q37 G38 L39 L271 E274Y31-R35 HydrophobicContact CE1-CG 4.37Å; Y31-R35 PolarHBondContact O-N 3.38Å; M32-R35 HydrophobicContact CE-CG 4.45Å; M32-R35 PolarHBondContact O-N 3.06Å; R35-Q37 VanDerWaalsContact C-N 3.33Å; R35-Q37 PolarHBondContact O-N 3.41Å; R35-G38 PolarHBondContact O-N 2.89Å; R35-G38 VanDerWaalsContact O-N 3.09Å; R35-L39 PolarHBondContact O-N 3.01Å; R35-L271 HydrophobicContact CB-CD1 4.35Å; R35-E274 IonicContact CZ-OE2 2.89Å; R35-E274 IonicContact NH1-OE2 3.56Å; R35-E274 PolarHBondContact NH1-OE2 3.08Å; R35-E274 IonicContact NH2-OE2 2.76Å; R35-E274 PolarHBondContact NH2-OE2 3.44Å
36L94.7Very high91.3Very high21 Ų2168.3 Ų68.311%0.1135%0.351CS..Hα-helixtrans-60-43.2-179.4-177.465.9000111.7M32 D33 G38 L39 D264 L267 I268 L271M32-L36 WeakPolarHBondContact O-CB 3.35Å; M32-L36 PolarHBondContact O-N 2.96Å; D33-L36 PolarHBondContact O-N 3.12Å; L36-G38 VanDerWaalsContact C-N 3.29Å; L36-G38 PolarHBondContact O-N 2.88Å; L36-L39 HydrophobicContact CD1-CD1 4.17Å; L36-L39 PolarHBondContact O-N 3.41Å; L36-D264 HydrophobicContact CD2-CB 4.44Å; L36-L267 HydrophobicContact CD1-CB 3.5Å; L36-L267 HydrophobicContact CD1-CD1 3.81Å; L36-L267 HydrophobicContact CD1-CG 4.32Å; L36-I268 HydrophobicContact CD2-CD1 4.23Å; L36-L271 HydrophobicContact CB-CD1 3.93Å; L36-L271 HydrophobicContact CD1-CD1 4.04Å
37Q93.5Very high91.2Very high165 Ų16565.4 Ų65.477%0.77134%0.338SS*.Hα-helixtrans-69-26.7176-70.8172.515.200113.1D33 G34 R35D33-Q37 WeakPolarHBondContact O-CB 3.48Å; D33-Q37 VanDerWaalsContact O-CG 3.28Å; D33-Q37 WeakPolarHBondContact O-CG 3.34Å; D33-Q37 PolarHBondContact O-N 3.42Å; G34-Q37 PolarHBondContact O-N 3.49Å; R35-Q37 VanDerWaalsContact C-N 3.33Å; R35-Q37 PolarHBondContact O-N 3.41Å
38G90.4Very high91.3Very high56 Ų5658.7 Ų58.758%0.57731%0.307SS*.Hα-helixtrans-79.9-11.4179.700000115G34 R35 L36 T40G34-G38 PolarHBondContact O-N 2.8Å; G34-G38 VanDerWaalsContact O-N 3.07Å; R35-G38 PolarHBondContact O-N 2.89Å; R35-G38 VanDerWaalsContact O-N 3.09Å; L36-G38 VanDerWaalsContact C-N 3.29Å; L36-G38 PolarHBondContact O-N 2.88Å; G38-T40 PolarHBondContact O-N 3.07Å
39L87.5Confident91.3Very high28 Ų2857.9 Ų57.915%0.14730%0.299CS..  trans-67.9127.8-179.6-65.2172.2000111.4R35 L36 E43 R44 L47 L267R35-L39 PolarHBondContact O-N 3.01Å; L36-L39 HydrophobicContact CD1-CD1 4.17Å; L36-L39 PolarHBondContact O-N 3.41Å; L39-E43 HydrophobicContact CD2-CB 4.2Å; L39-R44 HydrophobicContact CB-CG 3.67Å; L39-R44 HydrophobicContact CD1-CG 4.25Å; L39-L47 HydrophobicContact CD1-CD1 3.81Å; L39-L47 HydrophobicContact CD2-CD1 3.93Å; L39-L267 HydrophobicContact CD1-CD1 3.97Å
40T87.7Confident91.1Very high76 Ų7655.8 Ų55.847%0.46629%0.292SS..  trans-67.8162.9170.4650000111.5G38 L42 E43 R44G38-T40 PolarHBondContact O-N 3.07Å; T40-L42 VanDerWaalsContact C-N 3.28Å; T40-L42 PolarHBondContact O-N 3.46Å; T40-E43 WeakPolarHBondContact CB-OE2 3.39Å; T40-E43 WeakPolarHBondContact CG2-OE2 3.4Å; T40-E43 PolarHBondContact N-OE2 3.41Å; T40-E43 PolarHBondContact O-N 3.38Å; T40-E43 VanDerWaalsContact OG1-CD 3.3Å; T40-E43 VanDerWaalsContact OG1-CG 3.26Å; T40-E43 WeakPolarHBondContact OG1-CG 3.2Å; T40-E43 PolarHBondContact OG1-N 2.9Å; T40-E43 PolarHBondContact OG1-OE2 3.15Å; T40-R44 VanDerWaalsContact O-CG 3.25Å; T40-R44 WeakPolarHBondContact O-CG 3.45Å; T40-R44 PolarHBondContact O-N 3.31Å
41E83.9Confident91.2Very high120 Ų12052.7 Ų52.756%0.56127%0.271SS*.Hα-helixtrans-59.8-38.5177.5-169.4-175.314900112.6R44 R45E41-R44 PolarHBondContact O-N 3Å; E41-R45 PolarHBondContact O-N 3.48Å; E41-R45 IonicContact OE1-CZ 3.32Å; E41-R45 IonicContact OE1-NH1 2.62Å; E41-R45 PolarHBondContact OE1-NH1 2.99Å; E41-R45 IonicContact OE1-NH2 3.53Å; E41-R45 PolarHBondContact OE1-NH2 2.73Å
42L81Confident91.3Very high84 Ų8446.6 Ų46.644%0.4425%0.247SC..Hα-helixtrans-64.8-48.9177.2-179.961.9000111.4T40 R44 R45 Q46 F314T40-L42 VanDerWaalsContact C-N 3.28Å; T40-L42 PolarHBondContact O-N 3.46Å; L42-R44 VanDerWaalsContact C-N 3.28Å; L42-R44 PolarHBondContact O-N 2.81Å; L42-R45 PolarHBondContact O-N 2.96Å; L42-R45 VanDerWaalsContact O-N 3.12Å; L42-Q46 PolarHBondContact O-N 3.26Å; L42-F314 HydrophobicContact CD1-CD1 4.09Å
43E84.9Confident91.3Very high78 Ų7850.1 Ų50.136%0.36426%0.26SS..Hα-helixtrans-60.5-39.2177-71.4165.1136.200111.2L39 T40 R45 Q46 L47L39-E43 HydrophobicContact CD2-CB 4.2Å; T40-E43 WeakPolarHBondContact CB-OE2 3.39Å; T40-E43 WeakPolarHBondContact CG2-OE2 3.4Å; T40-E43 PolarHBondContact N-OE2 3.41Å; T40-E43 PolarHBondContact O-N 3.38Å; T40-E43 VanDerWaalsContact OG1-CD 3.3Å; T40-E43 VanDerWaalsContact OG1-CG 3.26Å; T40-E43 WeakPolarHBondContact OG1-CG 3.2Å; T40-E43 PolarHBondContact OG1-N 2.9Å; T40-E43 PolarHBondContact OG1-OE2 3.15Å; E43-R45 VanDerWaalsContact C-N 3.33Å; E43-R45 PolarHBondContact O-N 3.05Å; E43-Q46 PolarHBondContact O-N 3.04Å; E43-L47 WeakPolarHBondContact O-CB 3.48Å; E43-L47 VanDerWaalsContact O-CG 3.26Å; E43-L47 WeakPolarHBondContact O-CG 3.48Å; E43-L47 PolarHBondContact O-N 2.92Å
44R91.8Very high91.4Very high66 Ų6648.1 Ų48.125%0.24925%0.249CC..Hα-helixtrans-63-40.1176.2-70.5175.26880.43.9111.8L39 T40 E41 L42 A48 D264L39-R44 HydrophobicContact CB-CG 3.67Å; L39-R44 HydrophobicContact CD1-CG 4.25Å; T40-R44 VanDerWaalsContact O-CG 3.25Å; T40-R44 WeakPolarHBondContact O-CG 3.45Å; T40-R44 PolarHBondContact O-N 3.31Å; E41-R44 PolarHBondContact O-N 3Å; L42-R44 VanDerWaalsContact C-N 3.28Å; L42-R44 PolarHBondContact O-N 2.81Å; R44-A48 VanDerWaalsContact O-CB 3.27Å; R44-A48 WeakPolarHBondContact O-CB 3.4Å; R44-A48 PolarHBondContact O-N 3.31Å; R44-D264 IonicContact CZ-OD1 2.73Å; R44-D264 IonicContact NH1-OD1 2.72Å; R44-D264 PolarHBondContact NH1-OD1 2.97Å; R44-D264 IonicContact NH2-OD1 3.78Å; R44-D264 PolarHBondContact NH2-OD1 3.34Å; R44-D264 IonicContact NH2-OD2 2.73Å; R44-D264 PolarHBondContact NH2-OD2 3.38Å
45R89.3Confident91.6Very high41 Ų4146.2 Ų46.216%0.15523%0.229CC..Hα-helixtrans-66.3-47174.9-75.8-177.5168.3136.3-0.1111.5E41 L42 E43 L47 A48 L49 F302 D304 F314E41-R45 PolarHBondContact O-N 3.48Å; E41-R45 IonicContact OE1-CZ 3.32Å; E41-R45 IonicContact OE1-NH1 2.62Å; E41-R45 PolarHBondContact OE1-NH1 2.99Å; E41-R45 IonicContact OE1-NH2 3.53Å; E41-R45 PolarHBondContact OE1-NH2 2.73Å; L42-R45 PolarHBondContact O-N 2.96Å; L42-R45 VanDerWaalsContact O-N 3.12Å; E43-R45 VanDerWaalsContact C-N 3.33Å; E43-R45 PolarHBondContact O-N 3.05Å; R45-L47 VanDerWaalsContact C-N 3.35Å; R45-L47 PolarHBondContact O-N 3.05Å; R45-A48 WeakPolarHBondContact O-CB 3.23Å; R45-A48 PolarHBondContact O-N 3.42Å; R45-A48 VanDerWaalsContact O-N 3.15Å; R45-L49 WeakPolarHBondContact O-CG 3.41Å; R45-L49 PolarHBondContact O-N 3.16Å; R45-F302 HydrophobicContact CB-CE1 4.01Å; R45-F302 HydrophobicContact CB-CZ 3.95Å; R45-F302 HydrophobicContact CG-CE1 4.04Å; R45-F302 HydrophobicContact CG-CZ 4.09Å; R45-D304 IonicContact CZ-OD2 3.55Å; R45-D304 IonicContact NH2-OD1 3.72Å; R45-D304 PolarHBondContact NH2-OD1 2.77Å; R45-D304 IonicContact NH2-OD2 2.7Å; R45-D304 PolarHBondContact NH2-OD2 3.17Å; R45-F314 HydrophobicContact CB-CD1 4.12Å; R45-F314 HydrophobicContact CB-CE1 4.31Å; R45-F314 VanDerWaalsContact CD-CE1 3.42Å; R45-F314 HydrophobicContact CG-CE1 4.5Å
46Q86.4Confident91.9Very high48 Ų4842.6 Ų42.622%0.22422%0.216CC..Hα-helixtrans-54.6-49.6174.4-80167.1-11.400111.9L42 E43 A48 L49 Q50 F314 D316L42-Q46 PolarHBondContact O-N 3.26Å; E43-Q46 PolarHBondContact O-N 3.04Å; Q46-A48 PolarHBondContact O-N 3.21Å; Q46-L49 WeakPolarHBondContact O-CB 3.39Å; Q46-L49 PolarHBondContact O-N 3.02Å; Q46-Q50 PolarHBondContact O-N 3.25Å; Q46-F314 WeakPolarHBondContact CG-O 3.42Å; Q46-D316 PolarHBondContact NE2-OD2 3.12Å
47L93.2Very high92.1Very high22 Ų2241.9 Ų41.912%0.11521%0.212CC..Hα-helixtrans-66.7-36.1177.8-69.4171.9000111.9L39 E43 R45 L49 Q50 I51 L267 Y270L39-L47 HydrophobicContact CD1-CD1 3.81Å; L39-L47 HydrophobicContact CD2-CD1 3.93Å; E43-L47 WeakPolarHBondContact O-CB 3.48Å; E43-L47 VanDerWaalsContact O-CG 3.26Å; E43-L47 WeakPolarHBondContact O-CG 3.48Å; E43-L47 PolarHBondContact O-N 2.92Å; R45-L47 VanDerWaalsContact C-N 3.35Å; R45-L47 PolarHBondContact O-N 3.05Å; L47-L49 VanDerWaalsContact C-N 3.29Å; L47-L49 PolarHBondContact O-N 2.81Å; L47-Q50 CarbonylContact O-C 3.55Å; L47-Q50 PolarHBondContact O-N 2.8Å; L47-Q50 VanDerWaalsContact O-N 3.14Å; L47-I51 VanDerWaalsContact O-CG1 3.29Å; L47-I51 WeakPolarHBondContact O-CG1 3.35Å; L47-I51 PolarHBondContact O-N 3.09Å; L47-L267 HydrophobicContact CB-CD2 3.57Å; L47-L267 HydrophobicContact CD1-CD2 3.99Å; L47-L267 HydrophobicContact CG-CD2 4.35Å; L47-Y270 HydrophobicContact CD2-CD1 4.01Å; L47-Y270 HydrophobicContact CD2-CE1 3.4Å; L47-Y270 HydrophobicContact CD2-CE2 4.27Å
48A95.5Very high92.3Very high0 Ų035 Ų350%018%0.181CC..Hα-helixtrans-59.4-41.5174.800000111.8R44 R45 Q46 I51 V52 L263 I298 F302R44-A48 VanDerWaalsContact O-CB 3.27Å; R44-A48 WeakPolarHBondContact O-CB 3.4Å; R44-A48 PolarHBondContact O-N 3.31Å; R45-A48 WeakPolarHBondContact O-CB 3.23Å; R45-A48 PolarHBondContact O-N 3.42Å; R45-A48 VanDerWaalsContact O-N 3.15Å; Q46-A48 PolarHBondContact O-N 3.21Å; A48-I51 PolarHBondContact O-N 3.17Å; A48-V52 WeakPolarHBondContact O-CG2 3.28Å; A48-V52 PolarHBondContact O-N 3.41Å; A48-L263 HydrophobicContact CB-CD1 3.72Å; A48-L263 HydrophobicContact CB-CD2 3.84Å; A48-L263 HydrophobicContact CB-CG 4.44Å; A48-I298 HydrophobicContact CB-CG2 3.97Å; A48-F302 HydrophobicContact CB-CE2 3.88Å; A48-F302 HydrophobicContact CB-CZ 4.13Å
49L92.7Very high92.7Very high1 Ų132.9 Ų32.91%0.00516%0.158CC..Hα-helixtrans-63.2-43.1173.5-64.6-171.9000111.8R45 Q46 L47 I51 V52 R53 F80 I92 F302 I311 F314 L315R45-L49 WeakPolarHBondContact O-CG 3.41Å; R45-L49 PolarHBondContact O-N 3.16Å; Q46-L49 WeakPolarHBondContact O-CB 3.39Å; Q46-L49 PolarHBondContact O-N 3.02Å; L47-L49 VanDerWaalsContact C-N 3.29Å; L47-L49 PolarHBondContact O-N 2.81Å; L49-I51 PolarHBondContact O-N 2.99Å; L49-V52 PolarHBondContact O-N 3.33Å; L49-R53 WeakPolarHBondContact O-CG 3.49Å; L49-R53 PolarHBondContact O-N 3.44Å; L49-R53 VanDerWaalsContact O-N 3.07Å; L49-F80 HydrophobicContact CD2-CE1 4.3Å; L49-F80 HydrophobicContact CD2-CE2 3.74Å; L49-F80 HydrophobicContact CD2-CZ 3.52Å; L49-I92 HydrophobicContact CB-CD1 3.72Å; L49-I92 HydrophobicContact CD1-CD1 3.75Å; L49-I92 HydrophobicContact CD2-CD1 3.68Å; L49-I92 HydrophobicContact CG-CD1 3.87Å; L49-F302 HydrophobicContact CD2-CE1 3.93Å; L49-F302 HydrophobicContact CD2-CE2 4.12Å; L49-F302 HydrophobicContact CD2-CZ 3.52Å; L49-F302 HydrophobicContact CG-CE1 4.28Å; L49-F302 HydrophobicContact CG-CZ 3.86Å; L49-I311 HydrophobicContact CD1-CD1 4.34Å; L49-I311 HydrophobicContact CD1-CG1 3.77Å; L49-I311 HydrophobicContact CD2-CD1 3.83Å; L49-I311 HydrophobicContact CD2-CG1 4.12Å; L49-F314 HydrophobicContact CD1-CB 3.48Å; L49-F314 VanDerWaalsContact CD1-CB 3.48Å; L49-F314 HydrophobicContact CD1-CD2 4.47Å; L49-F314 HydrophobicContact CD1-CG 4.35Å; L49-L315 HydrophobicContact CB-CD2 4.37Å; L49-L315 HydrophobicContact CD1-CD2 3.92Å; L49-L315 HydrophobicContact CD1-CG 4.24Å
50Q92.8Very high93.1Very high13 Ų1332.1 Ų32.16%0.06115%0.154CC..Hα-helixtrans-63.2-38.9174.4-176.760.911.400112.5Q46 L47 V52 R53 C54 Y270 T282Q46-Q50 PolarHBondContact O-N 3.25Å; L47-Q50 CarbonylContact O-C 3.55Å; L47-Q50 PolarHBondContact O-N 2.8Å; L47-Q50 VanDerWaalsContact O-N 3.14Å; Q50-V52 VanDerWaalsContact C-N 3.33Å; Q50-V52 PolarHBondContact O-N 3.39Å; Q50-R53 WeakPolarHBondContact O-CB 3.32Å; Q50-R53 PolarHBondContact O-N 3.39Å; Q50-C54 PolarHBondContact O-N 2.79Å; Q50-C54 VanDerWaalsContact O-N 3.08Å; Q50-C54 PolarHBondContact O-SG 3.15Å; Q50-Y270 HydrophobicContact CG-CE2 3.73Å; Q50-T282 PolarHBondContact NE2-O 3.35Å
51I97.5Very high93.6Very high0 Ų034.3 Ų34.30%015%0.154CC..Hα-helixtrans-61.7-41.6174.3-69.3-59.8000110.8L47 A48 L49 R53 C54 L55 L263 A266 L267 Y270 F287 I289 L294 I298L47-I51 VanDerWaalsContact O-CG1 3.29Å; L47-I51 WeakPolarHBondContact O-CG1 3.35Å; L47-I51 PolarHBondContact O-N 3.09Å; A48-I51 PolarHBondContact O-N 3.17Å; L49-I51 PolarHBondContact O-N 2.99Å; I51-R53 VanDerWaalsContact C-N 3.34Å; I51-R53 PolarHBondContact O-N 2.77Å; I51-C54 CarbonylContact O-C 3.41Å; I51-C54 PolarHBondContact O-N 3.22Å; I51-C54 VanDerWaalsContact O-N 3.12Å; I51-L55 PolarHBondContact O-N 3.15Å; I51-L263 HydrophobicContact CG1-CD1 4.38Å; I51-A266 HydrophobicContact CD1-CB 4.15Å; I51-A266 HydrophobicContact CG1-CB 4.29Å; I51-A266 HydrophobicContact CG2-CB 3.91Å; I51-L267 HydrophobicContact CG1-CD2 4.27Å; I51-Y270 HydrophobicContact CD1-CD2 3.93Å; I51-Y270 HydrophobicContact CD1-CG 4.27Å; I51-F287 HydrophobicContact CD1-CE1 3.97Å; I51-I289 HydrophobicContact CD1-CG1 4.42Å; I51-I289 HydrophobicContact CG2-CG1 4.46Å; I51-L294 HydrophobicContact CG2-CD2 3.88Å; I51-I298 HydrophobicContact CB-CD1 4.17Å; I51-I298 HydrophobicContact CG2-CD1 3.61Å
52V96.6Very high94.1Very high0 Ų033.6 Ų33.60%017%0.168CC..Hα-helixtrans-60.4-44.5174.3175.30000110.4A48 L49 Q50 C54 L55 P79 F80 I92 C94 L295 I298A48-V52 WeakPolarHBondContact O-CG2 3.28Å; A48-V52 PolarHBondContact O-N 3.41Å; L49-V52 PolarHBondContact O-N 3.33Å; Q50-V52 VanDerWaalsContact C-N 3.33Å; Q50-V52 PolarHBondContact O-N 3.39Å; V52-C54 PolarHBondContact O-N 3.17Å; V52-C54 VanDerWaalsContact O-N 3.16Å; V52-L55 WeakPolarHBondContact O-CB 3.22Å; V52-L55 PolarHBondContact O-N 3.29Å; V52-P79 HydrophobicContact CG1-CB 4.01Å; V52-P79 HydrophobicContact CG1-CG 3.75Å; V52-F80 HydrophobicContact CB-CE2 4.34Å; V52-F80 HydrophobicContact CG1-CE2 4.17Å; V52-F80 HydrophobicContact CG2-CE2 3.99Å; V52-F80 HydrophobicContact CG2-CZ 3.94Å; V52-I92 HydrophobicContact CB-CG2 4.05Å; V52-I92 HydrophobicContact CG1-CG2 3.67Å; V52-C94 WeakPolarHBondContact O-CA 3.32Å; V52-L295 HydrophobicContact CG1-CD1 4.1Å; V52-L295 HydrophobicContact CG2-CD1 3.87Å; V52-I298 HydrophobicContact CG2-CB 4.46Å; V52-I298 HydrophobicContact CG2-CD1 4.12Å; V52-I298 HydrophobicContact CG2-CG2 3.77Å
53R95Very high94.9Very high76 Ų7634.9 Ų34.929%0.28718%0.179SC..Hα-helixtrans-59.2-28.9175.7-65.2176.972.6-153.511.1113.2L49 Q50 I51 I92 S93 S95 P284L49-R53 WeakPolarHBondContact O-CG 3.49Å; L49-R53 PolarHBondContact O-N 3.44Å; L49-R53 VanDerWaalsContact O-N 3.07Å; Q50-R53 WeakPolarHBondContact O-CB 3.32Å; Q50-R53 PolarHBondContact O-N 3.39Å; I51-R53 VanDerWaalsContact C-N 3.34Å; I51-R53 PolarHBondContact O-N 2.77Å; R53-I92 HydrophobicContact CG-CG2 4.01Å; R53-S93 WeakPolarHBondContact CA-O 3.36Å; R53-S95 VanDerWaalsContact O-CB 3.29Å; R53-S95 WeakPolarHBondContact O-CB 3.23Å; R53-S95 PolarHBondContact O-N 2.75Å; R53-S95 PolarHBondContact O-OG 3.36Å; R53-P284 HydrophobicContact CB-CG 4.26Å; R53-P284 WeakPolarHBondContact O-CG 3.31Å
54C97.8Very high95.5Very high0 Ų032.1 Ų32.10%017%0.167CC..THydrogen-bonded Turntrans-94.86.9177.2-63.80000113.4Q50 I51 V52 T282 F287 R288 I289Q50-C54 PolarHBondContact O-N 2.79Å; Q50-C54 VanDerWaalsContact O-N 3.08Å; Q50-C54 PolarHBondContact O-SG 3.15Å; I51-C54 CarbonylContact O-C 3.41Å; I51-C54 PolarHBondContact O-N 3.22Å; I51-C54 VanDerWaalsContact O-N 3.12Å; V52-C54 PolarHBondContact O-N 3.17Å; V52-C54 VanDerWaalsContact O-N 3.16Å; C54-T282 PolarHBondContact SG-O 3.02Å; C54-T282 VanDerWaalsContact SG-O 3.34Å; C54-F287 HydrophobicContact CB-CD1 3.71Å; C54-F287 HydrophobicContact CB-CE1 4.22Å; C54-F287 WeakPolarHBondContact CB-O 3.29Å; C54-R288 CarbonylContact O-C 3.58Å; C54-R288 WeakPolarHBondContact O-CA 3.49Å; C54-R288 WeakPolarHBondContact O-CD 3.27Å; C54-I289 PolarHBondContact O-N 2.89Å
55L98.6Very high95.8Very high0 Ų031.9 Ų31.90%017%0.173CC..EExtended strand (participates in β ladder)trans-82.9129.6-174.4-172.463.4000112.3I51 V52 L57 C94 S95 A96 I289 A291 L294 L295I51-L55 PolarHBondContact O-N 3.15Å; V52-L55 WeakPolarHBondContact O-CB 3.22Å; V52-L55 PolarHBondContact O-N 3.29Å; L55-L57 HydrophobicContact CD2-CB 4.48Å; L55-L57 HydrophobicContact CD2-CD1 4.14Å; L55-C94 HydrophobicContact CB-CB 4.4Å; L55-C94 WeakPolarHBondContact O-CB 3.44Å; L55-S95 WeakPolarHBondContact O-CB 3.38Å; L55-S95 PolarHBondContact O-N 3.28Å; L55-A96 PolarHBondContact O-N 3.09Å; L55-A96 VanDerWaalsContact O-N 3.15Å; L55-I289 HydrophobicContact CD1-CB 4.23Å; L55-I289 HydrophobicContact CD1-CG2 4.08Å; L55-I289 WeakPolarHBondContact CD1-O 3.39Å; L55-A291 HydrophobicContact CD1-CB 4.07Å; L55-L294 HydrophobicContact CD1-CD2 4.25Å; L55-L295 HydrophobicContact CD2-CB 3.78Å; L55-L295 HydrophobicContact CD2-CD1 3.95Å; L55-L295 HydrophobicContact CD2-CG 4.3Å
56D98.8Very high96.3Very high0 Ų032.5 Ų32.50%018%0.182CC..EExtended strand (participates in β ladder)trans-93.791.1159.8-75.718.6000107.7T58 A96 K189 K255 R288 I289 A291D56-T58 PolarHBondContact O-N 3.4Å; D56-T58 VanDerWaalsContact O-N 3.09Å; D56-T58 PolarHBondContact O-OG1 2.83Å; D56-A96 CarbonylContact C-O 3.53Å; D56-A96 WeakPolarHBondContact CA-O 3.27Å; D56-A96 HydrophobicContact CB-CB 4.46Å; D56-A96 WeakPolarHBondContact OD1-CB 3.44Å; D56-K189 IonicContact OD2-NZ 2.63Å; D56-K255 VanDerWaalsContact OD2-CE 3.23Å; D56-K255 WeakPolarHBondContact OD2-CE 3.14Å; D56-K255 IonicContact OD2-NZ 2.84Å; D56-K255 PolarHBondContact OD2-NZ 2.85Å; D56-R288 VanDerWaalsContact OD1-CD 3.26Å; D56-R288 WeakPolarHBondContact OD1-CD 3.43Å; D56-R288 IonicContact OD1-CZ 2.88Å; D56-R288 IonicContact OD1-NE 3.62Å; D56-R288 IonicContact OD1-NH1 3.28Å; D56-R288 PolarHBondContact OD1-NH1 3.19Å; D56-R288 IonicContact OD2-NH1 3.54Å; D56-I289 PolarHBondContact N-O 2.65Å; D56-A291 PolarHBondContact O-N 2.75Å
57L98.7Very high96.8Very high5 Ų533.4 Ų33.43%0.02619%0.194CC..EExtended strand (participates in β ladder)trans-67.3110.2-178.8-17365.7000109.4L55 L72 L75 A76 A96 V97 C98 L295L55-L57 HydrophobicContact CD2-CB 4.48Å; L55-L57 HydrophobicContact CD2-CD1 4.14Å; L57-L72 HydrophobicContact CD2-CD1 3.76Å; L57-L72 HydrophobicContact CD2-CG 4.31Å; L57-L72 HydrophobicContact CG-CD1 3.73Å; L57-L72 HydrophobicContact CG-CG 4.44Å; L57-L75 HydrophobicContact CD2-CB 4.26Å; L57-L75 HydrophobicContact CD2-CD2 4.06Å; L57-L75 HydrophobicContact CD2-CG 3.98Å; L57-A76 HydrophobicContact CB-CB 4.27Å; L57-A76 HydrophobicContact CD2-CB 3.92Å; L57-A96 PolarHBondContact N-O 2.95Å; L57-V97 CarbonylContact O-C 3.56Å; L57-V97 VanDerWaalsContact O-CA 3.23Å; L57-V97 WeakPolarHBondContact O-CA 3.43Å; L57-C98 PolarHBondContact O-N 3.29Å; L57-L295 HydrophobicContact CD1-CB 3.88Å; L57-L295 HydrophobicContact CD1-CD2 3.84Å; L57-L295 HydrophobicContact CD2-CD2 3.77Å; L57-L295 HydrophobicContact CG-CD2 4.41Å
58T98.6Very high97.1Very high20 Ų2034.8 Ų34.812%0.12320%0.201CC..EExtended strand (participates in β ladder)trans-106.9129.3-162.9-58.50000111.9D56 L60 C98 A291 S292D56-T58 PolarHBondContact O-N 3.4Å; D56-T58 VanDerWaalsContact O-N 3.09Å; D56-T58 PolarHBondContact O-OG1 2.83Å; T58-L60 HydrophobicContact CG2-CD1 3.68Å; T58-L60 HydrophobicContact CG2-CG 3.74Å; T58-C98 WeakPolarHBondContact CA-O 3.36Å; T58-C98 HydrophobicContact CG2-CB 4.01Å; T58-A291 PolarHBondContact N-O 3.03Å; T58-S292 WeakPolarHBondContact O-CA 3.42Å; T58-S292 WeakPolarHBondContact O-CB 3.46Å
59S98.1Very high97.2Very high13 Ų1334.8 Ų34.89%0.09120%0.201CC..  trans-125.6113.8161.5-163.90000110.6R61 D64 C98 V99S59-R61 PolarHBondContact OG-NE 3.01Å; S59-D64 VanDerWaalsContact C-OD2 3.31Å; S59-D64 WeakPolarHBondContact CB-OD2 3.39Å; S59-D64 PolarHBondContact OG-OD1 3.4Å; S59-D64 PolarHBondContact OG-OD2 3.36Å; S59-C98 PolarHBondContact N-O 3.31Å; S59-V99 WeakPolarHBondContact O-CA 3.16Å
60L97.4Very high97.5Very high12 Ų1237.6 Ų37.66%0.06321%0.214CC..  trans-131.648.7178.8-66.1171000109.4T58 V99 Y100 V125 F129 K224T58-L60 HydrophobicContact CG2-CD1 3.68Å; T58-L60 HydrophobicContact CG2-CG 3.74Å; L60-V99 VanDerWaalsContact CD2-C 3.49Å; L60-Y100 HydrophobicContact CB-CD2 4.48Å; L60-Y100 HydrophobicContact CB-CE2 4.01Å; L60-Y100 HydrophobicContact CD2-CD1 3.92Å; L60-Y100 HydrophobicContact CD2-CD2 4.17Å; L60-Y100 HydrophobicContact CD2-CE1 4.12Å; L60-Y100 HydrophobicContact CD2-CE2 4.38Å; L60-Y100 HydrophobicContact CD2-CG 3.94Å; L60-Y100 WeakPolarHBondContact O-CE2 3.49Å; L60-Y100 PolarHBondContact O-OH 3.07Å; L60-V125 HydrophobicContact CD1-CG1 3.74Å; L60-V125 HydrophobicContact CD1-CG2 4.5Å; L60-V125 HydrophobicContact CD2-CG1 4.17Å; L60-V125 HydrophobicContact CD2-CG2 3.72Å; L60-F129 HydrophobicContact CD1-CE1 4.28Å; L60-F129 HydrophobicContact CD1-CE2 4.38Å; L60-F129 HydrophobicContact CD1-CZ 3.78Å; L60-K224 PolarHBondContact O-NZ 3.45Å
61R96.4Very high97.7Very high122 Ų12241.7 Ų41.746%0.4624%0.237SC..  trans-90.5140.2176.2-55.5176.6-64.8168.86.9108.4S59 V63 D64 D68S59-R61 PolarHBondContact OG-NE 3.01Å; R61-V63 HydrophobicContact CB-CG2 4.1Å; R61-V63 PolarHBondContact O-N 2.99Å; R61-D64 IonicContact CZ-OD1 2.67Å; R61-D64 PolarHBondContact N-OD2 2.89Å; R61-D64 IonicContact NE-OD1 3.49Å; R61-D64 PolarHBondContact NE-OD1 3.45Å; R61-D64 IonicContact NH2-OD1 2.77Å; R61-D64 PolarHBondContact NH2-OD1 3.31Å; R61-D64 PolarHBondContact O-N 3.03Å; R61-D64 VanDerWaalsContact O-N 3.16Å; R61-D68 IonicContact CZ-OD1 3.95Å; R61-D68 IonicContact NH2-OD1 3.35Å; R61-D68 PolarHBondContact NH2-OD1 3.3Å
62A95Very high97.8Very high104 Ų10442.7 Ų42.786%0.8624%0.242SC*.THydrogen-bonded Turntrans-65.2-9.6178.700000113.6
63V97.3Very high97.9Very high112 Ų11242.7 Ų42.768%0.67924%0.242SC*.THydrogen-bonded Turntrans-107.84.4-178.9-61.30000113R61 T65R61-V63 HydrophobicContact CB-CG2 4.1Å; R61-V63 PolarHBondContact O-N 2.99Å; V63-T65 PolarHBondContact O-N 3.47Å
64D98.3Very high97.9Very high19 Ų1940.3 Ų40.310%0.10224%0.235CC..  trans-59.8130.9179.1-75.1-29.3000110.5S59 R61 I69 L103S59-D64 VanDerWaalsContact C-OD2 3.31Å; S59-D64 WeakPolarHBondContact CB-OD2 3.39Å; S59-D64 PolarHBondContact OG-OD1 3.4Å; S59-D64 PolarHBondContact OG-OD2 3.36Å; R61-D64 IonicContact CZ-OD1 2.67Å; R61-D64 PolarHBondContact N-OD2 2.89Å; R61-D64 IonicContact NE-OD1 3.49Å; R61-D64 PolarHBondContact NE-OD1 3.45Å; R61-D64 IonicContact NH2-OD1 2.77Å; R61-D64 PolarHBondContact NH2-OD1 3.31Å; R61-D64 PolarHBondContact O-N 3.03Å; R61-D64 VanDerWaalsContact O-N 3.16Å; D64-I69 HydrophobicContact CB-CD1 4.29Å; D64-L103 HydrophobicContact CB-CD1 3.7Å
65T98.5Very high97.8Very high61 Ų6144.3 Ų44.337%0.37426%0.256SS..  trans-106.6166.4174.569.30000110.7V63 S67 D68 I69V63-T65 PolarHBondContact O-N 3.47Å; T65-S67 PolarHBondContact O-N 3.49Å; T65-S67 PolarHBondContact OG1-N 2.89Å; T65-D68 WeakPolarHBondContact CB-OD2 3.4Å; T65-D68 PolarHBondContact N-OD2 2.9Å; T65-D68 WeakPolarHBondContact O-CB 3.5Å; T65-D68 PolarHBondContact O-N 3.28Å; T65-D68 VanDerWaalsContact O-N 3.1Å; T65-D68 PolarHBondContact OG1-N 3.41Å; T65-D68 PolarHBondContact OG1-OD2 2.85Å; T65-I69 PolarHBondContact O-N 2.84Å
66P98.5Very high97.7Very high54 Ų5444.3 Ų44.335%0.35126%0.256SS..Hα-helixtrans-51.8-41.1170.8-29.536.9000112.9D68 I69 E70 L103 D106P66-D68 PolarHBondContact O-N 3.01Å; P66-I69 PolarHBondContact O-N 3.44Å; P66-I69 VanDerWaalsContact O-N 3.12Å; P66-E70 WeakPolarHBondContact O-CG 3.39Å; P66-E70 PolarHBondContact O-N 3.13Å; P66-L103 HydrophobicContact CG-CD2 4.02Å; P66-D106 HydrophobicContact CB-CB 4.25Å
67S98.4Very high97.5Very high67 Ų6744.8 Ų44.847%0.46926%0.259SS..Hα-helixtrans-63.3-39.6177.6-171.30000112.9T65 I69 E70 D71T65-S67 PolarHBondContact O-N 3.49Å; T65-S67 PolarHBondContact OG1-N 2.89Å; S67-I69 PolarHBondContact O-N 3.38Å; S67-E70 PolarHBondContact O-N 2.78Å; S67-D71 PolarHBondContact O-N 3.33Å; S67-D71 VanDerWaalsContact O-N 3.08Å
68D98.4Very high97.1Very high51 Ų5146.2 Ų46.227%0.27327%0.265SS..Hα-helixtrans-62-35.6175.4-67.4-83.9000111.4R61 T65 P66 L72R61-D68 IonicContact CZ-OD1 3.95Å; R61-D68 IonicContact NH2-OD1 3.35Å; R61-D68 PolarHBondContact NH2-OD1 3.3Å; T65-D68 WeakPolarHBondContact CB-OD2 3.4Å; T65-D68 PolarHBondContact N-OD2 2.9Å; T65-D68 WeakPolarHBondContact O-CB 3.5Å; T65-D68 PolarHBondContact O-N 3.28Å; T65-D68 VanDerWaalsContact O-N 3.1Å; T65-D68 PolarHBondContact OG1-N 3.41Å; T65-D68 PolarHBondContact OG1-OD2 2.85Å; P66-D68 PolarHBondContact O-N 3.01Å; D68-L72 WeakPolarHBondContact O-CB 3.04Å; D68-L72 PolarHBondContact O-N 3.22Å
69I98.5Very high96.8Very high0 Ų045.4 Ų45.40%026%0.26CS..Hα-helixtrans-76.9-35.1-179.7-62.7-45.6000111.8D64 T65 P66 S67 D71 L72 V73 V99 L103 A107D64-I69 HydrophobicContact CB-CD1 4.29Å; T65-I69 PolarHBondContact O-N 2.84Å; P66-I69 PolarHBondContact O-N 3.44Å; P66-I69 VanDerWaalsContact O-N 3.12Å; S67-I69 PolarHBondContact O-N 3.38Å; I69-D71 VanDerWaalsContact C-N 3.34Å; I69-L72 HydrophobicContact CD1-CD2 4.22Å; I69-L72 WeakPolarHBondContact O-CB 3.5Å; I69-L72 PolarHBondContact O-N 3.22Å; I69-V73 WeakPolarHBondContact O-CG2 3.15Å; I69-V73 PolarHBondContact O-N 2.63Å; I69-V99 HydrophobicContact CD1-CB 4.16Å; I69-V99 HydrophobicContact CD1-CG1 3.62Å; I69-V99 HydrophobicContact CG1-CG1 4.28Å; I69-V99 HydrophobicContact CG2-CG1 3.96Å; I69-L103 HydrophobicContact CD1-CD1 4.25Å; I69-L103 HydrophobicContact CG1-CB 4Å; I69-L103 HydrophobicContact CG1-CD1 3.71Å; I69-L103 HydrophobicContact CG1-CG 4.32Å; I69-A107 HydrophobicContact CG2-CB 3.57Å
70E98.4Very high96.4Very high60 Ų6044.8 Ų44.828%0.2826%0.256SS..Hα-helixtrans-59.8-45.5170.5-69.5176.2-172.700110.9P66 S67 L72 V73 D74 H110P66-E70 WeakPolarHBondContact O-CG 3.39Å; P66-E70 PolarHBondContact O-N 3.13Å; S67-E70 PolarHBondContact O-N 2.78Å; E70-L72 VanDerWaalsContact C-N 3.34Å; E70-L72 PolarHBondContact O-N 2.8Å; E70-V73 PolarHBondContact O-N 2.93Å; E70-D74 PolarHBondContact O-N 2.99Å; E70-H110 HydrophobicContact CG-CB 3.92Å; E70-H110 PolarHBondContact O-NE2 2.98Å
71D98Very high95.7Very high100 Ų10051.6 Ų51.654%0.53528%0.281SS..Hα-helixtrans-63.1-38.5174.6-74.6-23.6000112S67 I69 D74 L75S67-D71 PolarHBondContact O-N 3.33Å; S67-D71 VanDerWaalsContact O-N 3.08Å; I69-D71 VanDerWaalsContact C-N 3.34Å; D71-D74 PolarHBondContact O-N 3.49Å; D71-L75 WeakPolarHBondContact O-CB 3.37Å; D71-L75 PolarHBondContact O-N 2.88Å
72L98.4Very high95Very high21 Ų2150 Ų5011%0.1129%0.288CS..Hα-helixtrans-63-44.2175.8-170.976.4000111.8L57 D68 I69 E70 L75 A76 V97 V99L57-L72 HydrophobicContact CD2-CD1 3.76Å; L57-L72 HydrophobicContact CD2-CG 4.31Å; L57-L72 HydrophobicContact CG-CD1 3.73Å; L57-L72 HydrophobicContact CG-CG 4.44Å; D68-L72 WeakPolarHBondContact O-CB 3.04Å; D68-L72 PolarHBondContact O-N 3.22Å; I69-L72 HydrophobicContact CD1-CD2 4.22Å; I69-L72 WeakPolarHBondContact O-CB 3.5Å; I69-L72 PolarHBondContact O-N 3.22Å; E70-L72 VanDerWaalsContact C-N 3.34Å; E70-L72 PolarHBondContact O-N 2.8Å; L72-L75 PolarHBondContact O-N 3.45Å; L72-A76 VanDerWaalsContact O-CB 3.25Å; L72-A76 WeakPolarHBondContact O-CB 3.5Å; L72-A76 PolarHBondContact O-N 3.41Å; L72-V97 HydrophobicContact CD2-CB 4Å; L72-V97 HydrophobicContact CD2-CG1 4.09Å; L72-V97 HydrophobicContact CG-CB 4.45Å; L72-V97 HydrophobicContact CG-CG1 3.98Å; L72-V99 HydrophobicContact CD2-CG1 3.82Å
73V98.4Very high94.2Very high0 Ų046.7 Ų46.70%026%0.256CS..Hα-helixtrans-66.2-41.8177.6168.70000110.8I69 E70 A76 T77 V97 A107 R111 Y115 L120I69-V73 WeakPolarHBondContact O-CG2 3.15Å; I69-V73 PolarHBondContact O-N 2.63Å; E70-V73 PolarHBondContact O-N 2.93Å; V73-A76 PolarHBondContact O-N 2.97Å; V73-T77 WeakPolarHBondContact O-CB 3.27Å; V73-T77 PolarHBondContact O-N 2.98Å; V73-T77 PolarHBondContact O-OG1 2.93Å; V73-V97 HydrophobicContact CG2-CG1 4.19Å; V73-V97 HydrophobicContact CG2-CG2 3.99Å; V73-A107 HydrophobicContact CG2-CB 4.21Å; V73-R111 HydrophobicContact CG1-CB 4.09Å; V73-Y115 HydrophobicContact CG1-CD2 4.18Å; V73-Y115 HydrophobicContact CG1-CE2 4.18Å; V73-L120 HydrophobicContact CG1-CD2 3.99Å
74D95.4Very high93Very high25 Ų2542 Ų4213%0.13423%0.226CC..Hα-helixtrans-57.9-49.4173.3-80.6-1.3000111.4E70 D71 T77 H78 H110 K114 Y115E70-D74 PolarHBondContact O-N 2.99Å; D71-D74 PolarHBondContact O-N 3.49Å; D74-T77 PolarHBondContact O-N 2.77Å; D74-H78 WeakPolarHBondContact O-CB 3.16Å; D74-H78 PolarHBondContact O-N 3.08Å; D74-H110 IonicContact OD1-CD2 3.24Å; D74-H110 IonicContact OD1-CE1 2.77Å; D74-H110 IonicContact OD1-NE2 2.76Å; D74-H110 PolarHBondContact OD1-NE2 2.89Å; D74-K114 WeakPolarHBondContact OD1-CD 3.49Å; D74-K114 WeakPolarHBondContact OD1-CE 3.2Å; D74-K114 IonicContact OD1-NZ 2.9Å; D74-K114 PolarHBondContact OD1-NZ 3.02Å; D74-K114 IonicContact OD2-NZ 3.98Å; D74-K114 PolarHBondContact OD2-NZ 2.85Å; D74-Y115 VanDerWaalsContact CG-OH 3.25Å; D74-Y115 VanDerWaalsContact OD1-CE2 3.29Å; D74-Y115 WeakPolarHBondContact OD1-CE2 3.39Å; D74-Y115 PolarHBondContact OD1-OH 2.96Å
75L95.7Very high91.3Very high84 Ų8444.3 Ų44.344%0.4424%0.242SC..Hα-helixtrans-65.5-39.5179.6-179.660.3000111.9L57 D71 L72 T77 H78 P79 L295L57-L75 HydrophobicContact CD2-CB 4.26Å; L57-L75 HydrophobicContact CD2-CD2 4.06Å; L57-L75 HydrophobicContact CD2-CG 3.98Å; D71-L75 WeakPolarHBondContact O-CB 3.37Å; D71-L75 PolarHBondContact O-N 2.88Å; L72-L75 PolarHBondContact O-N 3.45Å; L75-T77 VanDerWaalsContact C-N 3.33Å; L75-T77 PolarHBondContact O-N 2.73Å; L75-H78 CarbonylContact O-C 3.57Å; L75-H78 VanDerWaalsContact O-C 3.25Å; L75-H78 PolarHBondContact O-N 3.37Å; L75-P79 WeakPolarHBondContact O-CA 3.49Å; L75-L295 HydrophobicContact CD1-CD2 4.15Å; L75-L295 HydrophobicContact CD2-CD2 4.16Å; L75-L295 HydrophobicContact CG-CD2 3.8Å
76A97.2Very high89.1Confident0 Ų044.6 Ų44.60%025%0.247CC..Hα-helixtrans-67.6-33.9177.500000112.6L57 L72 V73 C94 V97 L120L57-A76 HydrophobicContact CB-CB 4.27Å; L57-A76 HydrophobicContact CD2-CB 3.92Å; L72-A76 VanDerWaalsContact O-CB 3.25Å; L72-A76 WeakPolarHBondContact O-CB 3.5Å; L72-A76 PolarHBondContact O-N 3.41Å; V73-A76 PolarHBondContact O-N 2.97Å; A76-C94 HydrophobicContact CB-CB 3.88Å; A76-C94 WeakPolarHBondContact O-CB 3.38Å; A76-C94 PolarHBondContact O-N 3.44Å; A76-V97 HydrophobicContact CB-CG1 3.42Å; A76-V97 VanDerWaalsContact CB-CG1 3.42Å; A76-L120 HydrophobicContact CB-CD1 3.85Å; A76-L120 HydrophobicContact CB-CD2 3.92Å
77T93.8Very high87Confident10 Ų1044.4 Ų44.46%0.06125%0.247CC..Hα-helixtrans-76.2-31.1177.2-51.30000111.8V73 D74 L75 P79 Y115 L120V73-T77 WeakPolarHBondContact O-CB 3.27Å; V73-T77 PolarHBondContact O-N 2.98Å; V73-T77 PolarHBondContact O-OG1 2.93Å; D74-T77 PolarHBondContact O-N 2.77Å; L75-T77 VanDerWaalsContact C-N 3.33Å; L75-T77 PolarHBondContact O-N 2.73Å; T77-P79 VanDerWaalsContact C-CD 3.49Å; T77-Y115 HydrophobicContact CG2-CD1 3.74Å; T77-Y115 HydrophobicContact CG2-CD2 4.17Å; T77-Y115 HydrophobicContact CG2-CE1 3.98Å; T77-Y115 HydrophobicContact CG2-CE2 4.4Å; T77-Y115 HydrophobicContact CG2-CG 3.85Å; T77-L120 WeakPolarHBondContact OG1-CD2 3.43Å
78H90.8Very high84.7Confident36 Ų3641.7 Ų41.717%0.16723%0.229CC..SBendtrans-133.462.3-172.7-68.3-43000111.5D74 L75 F80 R81 D89 Y115D74-H78 WeakPolarHBondContact O-CB 3.16Å; D74-H78 PolarHBondContact O-N 3.08Å; L75-H78 CarbonylContact O-C 3.57Å; L75-H78 VanDerWaalsContact O-C 3.25Å; L75-H78 PolarHBondContact O-N 3.37Å; H78-F80 VanDerWaalsContact C-N 3.31Å; H78-F80 PolarHBondContact O-N 2.93Å; H78-R81 HydrophobicContact CB-CB 4.16Å; H78-R81 WeakPolarHBondContact O-CB 3.3Å; H78-R81 PolarHBondContact O-N 2.9Å; H78-D89 VanDerWaalsContact C-OD2 3.26Å; H78-D89 WeakPolarHBondContact CA-OD2 3.36Å; H78-D89 WeakPolarHBondContact CB-OD2 3.32Å; H78-D89 IonicContact CG-OD2 3.84Å; H78-D89 IonicContact ND1-OD2 2.73Å; H78-Y115 AromaticContact CD2-CE1 3.65Å; H78-Y115 AromaticContact CD2-CZ 3.98Å; H78-Y115 AromaticContact NE2-CD1 3.97Å; H78-Y115 AromaticContact NE2-CE1 3.32Å; H78-Y115 VanDerWaalsContact NE2-CE1 3.32Å; H78-Y115 WeakPolarHBondContact NE2-CE1 3.21Å
79P92.9Very high82.7Confident2 Ų239.6 Ų39.61%0.01322%0.218CC..THydrogen-bonded Turntrans-65.5-31.7-168.623.9-32.3000113.5V52 L75 T77 I92 L295 V299V52-P79 HydrophobicContact CG1-CB 4.01Å; V52-P79 HydrophobicContact CG1-CG 3.75Å; L75-P79 WeakPolarHBondContact O-CA 3.49Å; T77-P79 VanDerWaalsContact C-CD 3.49Å; P79-I92 WeakPolarHBondContact CD-O 3.47Å; P79-I92 VanDerWaalsContact CG-O 3.23Å; P79-I92 WeakPolarHBondContact CG-O 3.46Å; P79-L295 HydrophobicContact CB-CD1 3.73Å; P79-L295 HydrophobicContact CB-CD2 4.03Å; P79-L295 HydrophobicContact CB-CG 4.35Å; P79-V299 VanDerWaalsContact O-CG2 3.26Å; P79-V299 WeakPolarHBondContact O-CG2 3.23Å
80F88.6Confident81.1Confident0 Ų048.8 Ų48.80%025%0.252CS..THydrogen-bonded Turntrans-104.314.7-178-64.9-86.6000113.1L49 V52 H78 S82 I83 F84 D89 I92 I298 V299 F302 I311L49-F80 HydrophobicContact CD2-CE1 4.3Å; L49-F80 HydrophobicContact CD2-CE2 3.74Å; L49-F80 HydrophobicContact CD2-CZ 3.52Å; V52-F80 HydrophobicContact CB-CE2 4.34Å; V52-F80 HydrophobicContact CG1-CE2 4.17Å; V52-F80 HydrophobicContact CG2-CE2 3.99Å; V52-F80 HydrophobicContact CG2-CZ 3.94Å; H78-F80 VanDerWaalsContact C-N 3.31Å; H78-F80 PolarHBondContact O-N 2.93Å; F80-S82 PolarHBondContact O-N 3.07Å; F80-I83 CarbonylContact O-C 3.35Å; F80-I83 WeakPolarHBondContact O-CA 3.12Å; F80-I83 PolarHBondContact O-N 3.22Å; F80-F84 HydrophobicContact CB-CD2 3.48Å; F80-F84 VanDerWaalsContact CB-CD2 3.48Å; F80-F84 HydrophobicContact CB-CE2 4.02Å; F80-F84 HydrophobicContact CD1-CD2 4.36Å; F80-F84 HydrophobicContact CD1-CE2 4.03Å; F80-F84 HydrophobicContact CG-CD2 4.06Å; F80-F84 HydrophobicContact CG-CE2 4.12Å; F80-F84 PolarHBondContact O-N 2.98Å; F80-D89 WeakPolarHBondContact CA-OD1 3.18Å; F80-D89 WeakPolarHBondContact CB-OD1 3.35Å; F80-D89 PolarHBondContact N-OD1 2.68Å; F80-I92 HydrophobicContact CE2-CG2 4.18Å; F80-I298 HydrophobicContact CE1-CG2 4.33Å; F80-I298 HydrophobicContact CZ-CG2 3.99Å; F80-V299 HydrophobicContact CD1-CB 4.42Å; F80-V299 HydrophobicContact CD1-CG1 4.43Å; F80-V299 HydrophobicContact CD1-CG2 3.87Å; F80-V299 HydrophobicContact CE1-CB 4.43Å; F80-V299 HydrophobicContact CE1-CG2 3.89Å; F80-V299 HydrophobicContact CG-CG2 4.44Å; F80-V299 HydrophobicContact CZ-CG2 4.45Å; F80-F302 AromaticContact CE1-CD2 3.69Å; F80-F302 HydrophobicContact CE1-CD2 3.69Å; F80-F302 HydrophobicContact CE1-CE2 4.05Å; F80-F302 HydrophobicContact CE1-CG 4.1Å; F80-F302 HydrophobicContact CZ-CD2 4.37Å; F80-F302 HydrophobicContact CZ-CE2 4.27Å; F80-I311 HydrophobicContact CD2-CD1 3.85Å; F80-I311 HydrophobicContact CE2-CD1 4.19Å; F80-I311 HydrophobicContact CG-CD1 4.21Å
81R83.8Confident79.7Confident155 Ų15550.8 Ų50.859%0.58527%0.265SS*.THydrogen-bonded Turntrans-51-31.3-179.5-169174.6177.8-177.40.2114.3H78 D89H78-R81 HydrophobicContact CB-CB 4.16Å; H78-R81 WeakPolarHBondContact O-CB 3.3Å; H78-R81 PolarHBondContact O-N 2.9Å; R81-D89 VanDerWaalsContact CA-OD2 3.27Å; R81-D89 WeakPolarHBondContact CA-OD2 3.2Å; R81-D89 WeakPolarHBondContact CB-OD2 3.37Å; R81-D89 VanDerWaalsContact N-CG 3.35Å; R81-D89 PolarHBondContact N-OD1 3.17Å; R81-D89 PolarHBondContact N-OD2 3.02Å
82S82Confident79.1Confident88 Ų8846.1 Ų46.162%0.61524%0.239SC*.THydrogen-bonded Turntrans-70.8-31.2177.457.70000113.1F80F80-S82 PolarHBondContact O-N 3.07Å
83I77.7Confident78.8Confident36 Ų3646.8 Ų46.819%0.18525%0.246CC..THydrogen-bonded Turntrans-94.8-51.5-177.7-52.8-57000110.6F80 P85 V299 F302 A303F80-I83 CarbonylContact O-C 3.35Å; F80-I83 WeakPolarHBondContact O-CA 3.12Å; F80-I83 PolarHBondContact O-N 3.22Å; I83-P85 WeakPolarHBondContact O-CD 3.33Å; I83-V299 HydrophobicContact CD1-CG1 4.24Å; I83-V299 HydrophobicContact CG1-CG1 3.69Å; I83-F302 HydrophobicContact CG2-CB 4.33Å; I83-A303 HydrophobicContact CD1-CB 4.49Å
84F72.1Confident78.7Confident14 Ų1446.9 Ų46.96%0.06125%0.246CC..  trans-109.383-179.5-50.8-62.6000110.1F80 S86 D89 F302 V305 F309 I311F80-F84 HydrophobicContact CB-CD2 3.48Å; F80-F84 VanDerWaalsContact CB-CD2 3.48Å; F80-F84 HydrophobicContact CB-CE2 4.02Å; F80-F84 HydrophobicContact CD1-CD2 4.36Å; F80-F84 HydrophobicContact CD1-CE2 4.03Å; F80-F84 HydrophobicContact CG-CD2 4.06Å; F80-F84 HydrophobicContact CG-CE2 4.12Å; F80-F84 PolarHBondContact O-N 2.98Å; F84-S86 PolarHBondContact O-N 2.8Å; F84-S86 VanDerWaalsContact O-N 3.09Å; F84-D89 HydrophobicContact CB-CB 4.49Å; F84-F302 HydrophobicContact CZ-CD1 4.4Å; F84-V305 HydrophobicContact CE1-CG1 4.22Å; F84-V305 HydrophobicContact CZ-CG1 4.48Å; F84-F309 WeakPolarHBondContact CD1-O 3.37Å; F84-F309 WeakPolarHBondContact CE1-O 3.18Å; F84-I311 HydrophobicContact CD2-CB 4.11Å; F84-I311 HydrophobicContact CD2-CD1 3.8Å; F84-I311 HydrophobicContact CD2-CG1 4.29Å; F84-I311 HydrophobicContact CE2-CB 4.04Å; F84-I311 HydrophobicContact CE2-CD1 3.63Å; F84-I311 HydrophobicContact CE2-CG1 3.89Å; F84-I311 HydrophobicContact CZ-CB 4.38Å; F84-I311 HydrophobicContact CZ-CG1 4.42Å
85P61.1Low78.8Confident66 Ų6646.1 Ų46.143%0.42924%0.243SC..  trans-72-3-175.234.4-42.9000114.3I83I83-P85 WeakPolarHBondContact O-CD 3.33Å
86S54Low79Confident68 Ų6842.1 Ų42.148%0.47622%0.222SC..SBendtrans-104.1174.8-177.9-51.30000109.7F84 G88 D89F84-S86 PolarHBondContact O-N 2.8Å; F84-S86 VanDerWaalsContact O-N 3.09Å; S86-G88 PolarHBondContact O-N 3.07Å; S86-D89 PolarHBondContact O-N 3.25Å
87S52.9Low79Confident50 Ų5042.1 Ų42.135%0.3522%0.222SC..G310 helixtrans-57-8.9-171.3-9.20000116.4D89 R90 P441S87-D89 VanDerWaalsContact C-N 3.29Å; S87-D89 PolarHBondContact O-N 3.35Å; S87-R90 WeakPolarHBondContact O-CB 3.4Å; S87-R90 PolarHBondContact O-N 3.14Å; S87-R90 VanDerWaalsContact O-N 3.13Å; S87-P441 VanDerWaalsContact CB-CG 3.45Å; S87-P441 WeakPolarHBondContact OG-CB 3.34Å
88G50.3Low79.3Confident9 Ų941.6 Ų41.69%0.09322%0.219CC..G310 helixtrans-60.1-32.1174.300000114.1S86 R90 L91 I311S86-G88 PolarHBondContact O-N 3.07Å; G88-R90 PolarHBondContact O-N 2.65Å; G88-L91 WeakPolarHBondContact O-CB 3.25Å; G88-L91 PolarHBondContact O-N 3.13Å; G88-L91 VanDerWaalsContact O-N 3.07Å; G88-I311 VanDerWaalsContact O-CG2 3.23Å; G88-I311 WeakPolarHBondContact O-CG2 3.4Å
89D56.6Low79.7Confident7 Ų739.9 Ų39.94%0.03721%0.211CC..G310 helixtrans-64.9-11.9175.6-17542.4000113.3H78 F80 R81 F84 S86 S87 L91H78-D89 VanDerWaalsContact C-OD2 3.26Å; H78-D89 WeakPolarHBondContact CA-OD2 3.36Å; H78-D89 WeakPolarHBondContact CB-OD2 3.32Å; H78-D89 IonicContact CG-OD2 3.84Å; H78-D89 IonicContact ND1-OD2 2.73Å; F80-D89 WeakPolarHBondContact CA-OD1 3.18Å; F80-D89 WeakPolarHBondContact CB-OD1 3.35Å; F80-D89 PolarHBondContact N-OD1 2.68Å; R81-D89 VanDerWaalsContact CA-OD2 3.27Å; R81-D89 WeakPolarHBondContact CA-OD2 3.2Å; R81-D89 WeakPolarHBondContact CB-OD2 3.37Å; R81-D89 VanDerWaalsContact N-CG 3.35Å; R81-D89 PolarHBondContact N-OD1 3.17Å; R81-D89 PolarHBondContact N-OD2 3.02Å; F84-D89 HydrophobicContact CB-CB 4.49Å; S86-D89 PolarHBondContact O-N 3.25Å; S87-D89 VanDerWaalsContact C-N 3.29Å; S87-D89 PolarHBondContact O-N 3.35Å; D89-L91 VanDerWaalsContact C-N 3.26Å; D89-L91 PolarHBondContact O-N 3.13Å
90R64.6Low79.9Confident194 Ų19442.7 Ų42.773%0.73222%0.222SC*.G310 helixtrans-77.7-11.2174.4-57.3-172.1-162.6-171.76.1113.5S87 G88 I92S87-R90 WeakPolarHBondContact O-CB 3.4Å; S87-R90 PolarHBondContact O-N 3.14Å; S87-R90 VanDerWaalsContact O-N 3.13Å; G88-R90 PolarHBondContact O-N 2.65Å; R90-I92 VanDerWaalsContact C-N 3.32Å
91L69.5Low80.4Confident102 Ų10244.6 Ų44.653%0.53423%0.234SC..G310 helixtrans-78-21-179.9-65.3173.6000112.4G88 D89 I311 L315G88-L91 WeakPolarHBondContact O-CB 3.25Å; G88-L91 PolarHBondContact O-N 3.13Å; G88-L91 VanDerWaalsContact O-N 3.07Å; D89-L91 VanDerWaalsContact C-N 3.26Å; D89-L91 PolarHBondContact O-N 3.13Å; L91-I311 HydrophobicContact CB-CG2 4.29Å; L91-I311 HydrophobicContact CD1-CG2 3.94Å; L91-L315 HydrophobicContact CB-CD1 4.09Å; L91-L315 HydrophobicContact CD1-CD1 4.24Å
92I85.2Confident81Confident1 Ų141.9 Ų41.91%0.00524%0.239CC..  trans-133.6116.3-174-54.7-168.7000109.2L49 V52 R53 P79 F80 R90 I311 L315L49-I92 HydrophobicContact CB-CD1 3.72Å; L49-I92 HydrophobicContact CD1-CD1 3.75Å; L49-I92 HydrophobicContact CD2-CD1 3.68Å; L49-I92 HydrophobicContact CG-CD1 3.87Å; V52-I92 HydrophobicContact CB-CG2 4.05Å; V52-I92 HydrophobicContact CG1-CG2 3.67Å; R53-I92 HydrophobicContact CG-CG2 4.01Å; P79-I92 WeakPolarHBondContact CD-O 3.47Å; P79-I92 VanDerWaalsContact CG-O 3.23Å; P79-I92 WeakPolarHBondContact CG-O 3.46Å; F80-I92 HydrophobicContact CE2-CG2 4.18Å; R90-I92 VanDerWaalsContact C-N 3.32Å; I92-I311 HydrophobicContact CB-CD1 4.47Å; I92-I311 HydrophobicContact CD1-CD1 3.43Å; I92-I311 VanDerWaalsContact CD1-CD1 3.43Å; I92-I311 HydrophobicContact CD1-CG1 3.87Å; I92-I311 HydrophobicContact CG1-CD1 4.06Å; I92-L315 HydrophobicContact CD1-CD1 4.18Å; I92-L315 HydrophobicContact CD1-CD2 3.92Å; I92-L315 HydrophobicContact CD1-CG 4.36Å; I92-L315 HydrophobicContact CG1-CD1 4.23Å
93S91.6Very high81.8Confident36 Ų3638.3 Ų38.325%0.25221%0.213SC..  trans-120.4159.816864.50000109.6R53R53-S93 WeakPolarHBondContact CA-O 3.36Å
94C97.1Very high82.8Confident1 Ų136.6 Ų36.61%0.00720%0.204CC..  trans-57.8154.1161.2-64.50000110.5V52 L55 A76 L120V52-C94 WeakPolarHBondContact O-CA 3.32Å; L55-C94 HydrophobicContact CB-CB 4.4Å; L55-C94 WeakPolarHBondContact O-CB 3.44Å; A76-C94 HydrophobicContact CB-CB 3.88Å; A76-C94 WeakPolarHBondContact O-CB 3.38Å; A76-C94 PolarHBondContact O-N 3.44Å; C94-L120 HydrophobicContact CB-CD1 4.2Å; C94-L120 VanDerWaalsContact O-CD1 3.32Å; C94-L120 WeakPolarHBondContact O-CD1 3.31Å
95S97.5Very high84.1Confident9 Ų938 Ų386%0.06322%0.218CC..SBendtrans-67.6-41.4173.4-101.90000112.4R53 L55 R121 P284 R288R53-S95 VanDerWaalsContact O-CB 3.29Å; R53-S95 WeakPolarHBondContact O-CB 3.23Å; R53-S95 PolarHBondContact O-N 2.75Å; R53-S95 PolarHBondContact O-OG 3.36Å; L55-S95 WeakPolarHBondContact O-CB 3.38Å; L55-S95 PolarHBondContact O-N 3.28Å; S95-R121 PolarHBondContact O-N 3.15Å; S95-R121 VanDerWaalsContact O-N 3.09Å; S95-P284 WeakPolarHBondContact OG-CB 3.33Å; S95-R288 VanDerWaalsContact CB-NE 3.33Å; S95-R288 PolarHBondContact OG-NE 3.47Å
96A98.7Very high85.9Confident0 Ų036.2 Ų36.20%021%0.205CC..EExtended strand (participates in β ladder)trans-153.3163.9-178.100000111.9L55 D56 L57 R121 A123L55-A96 PolarHBondContact O-N 3.09Å; L55-A96 VanDerWaalsContact O-N 3.15Å; D56-A96 CarbonylContact C-O 3.53Å; D56-A96 WeakPolarHBondContact CA-O 3.27Å; D56-A96 HydrophobicContact CB-CB 4.46Å; D56-A96 WeakPolarHBondContact OD1-CB 3.44Å; L57-A96 PolarHBondContact N-O 2.95Å; A96-R121 CarbonylContact C-O 3.48Å; A96-R121 WeakPolarHBondContact CA-O 3.48Å; A96-R121 HydrophobicContact CB-CB 3.97Å; A96-R121 VanDerWaalsContact CB-O 3.29Å; A96-R121 WeakPolarHBondContact CB-O 3.33Å; A96-A123 HydrophobicContact CB-CB 4.5Å
97V98.9Very high88Confident0 Ų033 Ų330%018%0.182CC..EExtended strand (participates in β ladder)trans-99.7149.9153.6-67.70000109.6L57 L72 V73 A76 L120 R121 V122 A123L57-V97 CarbonylContact O-C 3.56Å; L57-V97 VanDerWaalsContact O-CA 3.23Å; L57-V97 WeakPolarHBondContact O-CA 3.43Å; L72-V97 HydrophobicContact CD2-CB 4Å; L72-V97 HydrophobicContact CD2-CG1 4.09Å; L72-V97 HydrophobicContact CG-CB 4.45Å; L72-V97 HydrophobicContact CG-CG1 3.98Å; V73-V97 HydrophobicContact CG2-CG1 4.19Å; V73-V97 HydrophobicContact CG2-CG2 3.99Å; A76-V97 HydrophobicContact CB-CG1 3.42Å; A76-V97 VanDerWaalsContact CB-CG1 3.42Å; V97-L120 HydrophobicContact CG1-CD2 4.28Å; V97-R121 PolarHBondContact N-O 2.94Å; V97-V122 HydrophobicContact CG2-CB 4.5Å; V97-V122 HydrophobicContact CG2-CG1 4.49Å; V97-V122 HydrophobicContact CG2-CG2 4.12Å; V97-A123 WeakPolarHBondContact O-CA 3.21Å; V97-A123 WeakPolarHBondContact O-CB 2.98Å; V97-A123 PolarHBondContact O-N 3.46Å
98C98.8Very high90.2Very high0 Ų031.5 Ų31.50%017%0.171CC..EExtended strand (participates in β ladder)trans-124.2116.2173.1-172.90000110.8L57 T58 S59 A123L57-C98 PolarHBondContact O-N 3.29Å; T58-C98 WeakPolarHBondContact CA-O 3.36Å; T58-C98 HydrophobicContact CG2-CB 4.01Å; S59-C98 PolarHBondContact N-O 3.31Å; C98-A123 VanDerWaalsContact CA-O 3.32Å; C98-A123 WeakPolarHBondContact CA-O 3.16Å; C98-A123 HydrophobicContact CB-CB 4.19Å
99V98.8Very high92.5Very high0 Ų035.9 Ų35.90%019%0.185CC..EExtended strand (participates in β ladder)trans-128.1166.8-170.5-56.10000112.4S59 L60 I69 L72 V104 A107 V122 A123 T124S59-V99 WeakPolarHBondContact O-CA 3.16Å; L60-V99 VanDerWaalsContact CD2-C 3.49Å; I69-V99 HydrophobicContact CD1-CB 4.16Å; I69-V99 HydrophobicContact CD1-CG1 3.62Å; I69-V99 HydrophobicContact CG1-CG1 4.28Å; I69-V99 HydrophobicContact CG2-CG1 3.96Å; L72-V99 HydrophobicContact CD2-CG1 3.82Å; V99-V104 HydrophobicContact CG2-CG2 4.13Å; V99-A107 HydrophobicContact CG2-CB 4.44Å; V99-V122 HydrophobicContact CG2-CG1 4.44Å; V99-A123 PolarHBondContact N-O 3.47Å; V99-T124 VanDerWaalsContact O-CA 3.27Å; V99-T124 WeakPolarHBondContact O-CA 3.13Å; V99-T124 WeakPolarHBondContact O-CB 3.23Å; V99-T124 PolarHBondContact O-OG1 2.79Å
100Y98.4Very high94.4Very high60 Ų6036.4 Ų36.424%0.23519%0.187CC..  trans-68151.4172.3-86.6-60.3000112L60 S102 L103 V125 F129L60-Y100 HydrophobicContact CB-CD2 4.48Å; L60-Y100 HydrophobicContact CB-CE2 4.01Å; L60-Y100 HydrophobicContact CD2-CD1 3.92Å; L60-Y100 HydrophobicContact CD2-CD2 4.17Å; L60-Y100 HydrophobicContact CD2-CE1 4.12Å; L60-Y100 HydrophobicContact CD2-CE2 4.38Å; L60-Y100 HydrophobicContact CD2-CG 3.94Å; L60-Y100 WeakPolarHBondContact O-CE2 3.49Å; L60-Y100 PolarHBondContact O-OH 3.07Å; Y100-S102 VanDerWaalsContact C-N 3.27Å; Y100-S102 PolarHBondContact O-N 2.73Å; Y100-L103 PolarHBondContact O-N 3.01Å; Y100-V125 HydrophobicContact CD1-CG2 3.93Å; Y100-V125 HydrophobicContact CE1-CG2 4.16Å; Y100-F129 HydrophobicContact CE1-CD1 4.02Å; Y100-F129 HydrophobicContact CE1-CE1 4.06Å
101P98.2Very high96Very high40 Ų4028.3 Ų28.326%0.2616%0.157SC..G310 helixtrans-51.5-42.6-176.7-33.438.7000114.4L103 V104 T124 V125P101-L103 PolarHBondContact O-N 2.76Å; P101-V104 WeakPolarHBondContact O-CB 3.21Å; P101-V104 WeakPolarHBondContact O-CG2 3.46Å; P101-V104 PolarHBondContact O-N 2.86Å; P101-V104 VanDerWaalsContact O-N 3.16Å; P101-T124 WeakPolarHBondContact CA-OG1 3.28Å; P101-T124 WeakPolarHBondContact CD-OG1 3.42Å; P101-T124 VanDerWaalsContact N-OG1 3.16Å; P101-V125 WeakPolarHBondContact CG-O 3.46Å
102S97.5Very high97.3Very high98 Ų9827.3 Ų27.369%0.68515%0.152SC*.G310 helixtrans-65.9-8.4-177.659.60000115Y100Y100-S102 VanDerWaalsContact C-N 3.27Å; Y100-S102 PolarHBondContact O-N 2.73Å
103L98.6Very high97.8Very high14 Ų1434 Ų347%0.07318%0.183CC..G310 helixtrans-117.25.1-178.5-62.4167.7000112.3D64 P66 I69 Y100 P101 D106 A107D64-L103 HydrophobicContact CB-CD1 3.7Å; P66-L103 HydrophobicContact CG-CD2 4.02Å; I69-L103 HydrophobicContact CD1-CD1 4.25Å; I69-L103 HydrophobicContact CG1-CB 4Å; I69-L103 HydrophobicContact CG1-CD1 3.71Å; I69-L103 HydrophobicContact CG1-CG 4.32Å; Y100-L103 PolarHBondContact O-N 3.01Å; P101-L103 PolarHBondContact O-N 2.76Å; L103-D106 PolarHBondContact O-N 3.41Å; L103-A107 PolarHBondContact O-N 2.63Å
104V98.8Very high97.9Very high0 Ų036.9 Ų36.90%019%0.191CC..Hα-helixtrans-61-49.5178.9169.90000110.7V99 P101 D106 A107 V108 V122 T124 D149 A151V99-V104 HydrophobicContact CG2-CG2 4.13Å; P101-V104 WeakPolarHBondContact O-CB 3.21Å; P101-V104 WeakPolarHBondContact O-CG2 3.46Å; P101-V104 PolarHBondContact O-N 2.86Å; P101-V104 VanDerWaalsContact O-N 3.16Å; V104-D106 PolarHBondContact O-N 3.34Å; V104-A107 PolarHBondContact O-N 2.89Å; V104-A107 VanDerWaalsContact O-N 3.14Å; V104-V108 HydrophobicContact CG1-CG2 4.11Å; V104-V108 VanDerWaalsContact O-CG2 3.31Å; V104-V108 WeakPolarHBondContact O-CG2 3.02Å; V104-V108 PolarHBondContact O-N 3.26Å; V104-V122 HydrophobicContact CG1-CG1 4.26Å; V104-T124 VanDerWaalsContact CG2-CB 3.48Å; V104-T124 HydrophobicContact CG2-CG2 3.86Å; V104-D149 HydrophobicContact CB-CB 4Å; V104-D149 HydrophobicContact CG1-CB 3.82Å; V104-A151 HydrophobicContact CG1-CB 3.82Å
105A98.6Very high97.6Very high42 Ų4238.2 Ų38.235%0.34720%0.196SC..Hα-helixtrans-59.8-35-179.500000112.3R109 D149A105-R109 WeakPolarHBondContact O-CB 3.5Å; A105-R109 PolarHBondContact O-N 3.22Å; A105-D149 HydrophobicContact CB-CB 4.35Å
106D98.7Very high96.9Very high29 Ų2942.3 Ų42.316%0.15522%0.222CC..Hα-helixtrans-67.6-46.9175.2-63.5-57.4000111.9P66 L103 V104 V108 R109 H110P66-D106 HydrophobicContact CB-CB 4.25Å; L103-D106 PolarHBondContact O-N 3.41Å; V104-D106 PolarHBondContact O-N 3.34Å; D106-V108 PolarHBondContact O-N 3.24Å; D106-R109 PolarHBondContact O-N 2.97Å; D106-R109 IonicContact OD1-CZ 3.4Å; D106-R109 VanDerWaalsContact OD1-CZ 3.24Å; D106-R109 IonicContact OD1-NH1 3.82Å; D106-R109 PolarHBondContact OD1-NH1 2.77Å; D106-R109 IonicContact OD1-NH2 3.86Å; D106-R109 PolarHBondContact OD1-NH2 3.24Å; D106-H110 WeakPolarHBondContact O-CB 3.5Å; D106-H110 PolarHBondContact O-N 2.66Å
107A98.7Very high96.1Very high0 Ų049.9 Ų49.90%026%0.263CS..Hα-helixtrans-60.3-46.1176.300000112.2I69 V73 V99 L103 V104 R111 V122I69-A107 HydrophobicContact CG2-CB 3.57Å; V73-A107 HydrophobicContact CG2-CB 4.21Å; V99-A107 HydrophobicContact CG2-CB 4.44Å; L103-A107 PolarHBondContact O-N 2.63Å; V104-A107 PolarHBondContact O-N 2.89Å; V104-A107 VanDerWaalsContact O-N 3.14Å; A107-R111 WeakPolarHBondContact O-CB 3.42Å; A107-R111 PolarHBondContact O-N 2.62Å; A107-V122 HydrophobicContact CB-CG1 3.78Å; A107-V122 HydrophobicContact CB-CG2 3.99Å
108V98.6Very high95.4Very high19 Ų1951.4 Ų51.412%0.11527%0.274CS..Hα-helixtrans-62.9-46.3179.5171.30000110.5V104 D106 N112 V122 G150V104-V108 HydrophobicContact CG1-CG2 4.11Å; V104-V108 VanDerWaalsContact O-CG2 3.31Å; V104-V108 WeakPolarHBondContact O-CG2 3.02Å; V104-V108 PolarHBondContact O-N 3.26Å; D106-V108 PolarHBondContact O-N 3.24Å; V108-N112 WeakPolarHBondContact O-CB 3.43Å; V108-N112 PolarHBondContact O-N 2.86Å; V108-N112 PolarHBondContact O-ND2 3.28Å; V108-N112 PolarHBondContact O-OD1 2.84Å; V108-V122 HydrophobicContact CG2-CB 4Å; V108-V122 HydrophobicContact CG2-CG1 4.06Å; V108-V122 HydrophobicContact CG2-CG2 3.99Å; V108-G150 WeakPolarHBondContact CG2-O 3.4Å
109R98.4Very high94.9Very high101 Ų10158.3 Ų58.338%0.38131%0.311SS..Hα-helixtrans-58.9-53.6177.5-178.2-177.966.1-111-1.3110.9A105 D106 R111 N112 E113A105-R109 WeakPolarHBondContact O-CB 3.5Å; A105-R109 PolarHBondContact O-N 3.22Å; D106-R109 PolarHBondContact O-N 2.97Å; D106-R109 IonicContact OD1-CZ 3.4Å; D106-R109 VanDerWaalsContact OD1-CZ 3.24Å; D106-R109 IonicContact OD1-NH1 3.82Å; D106-R109 PolarHBondContact OD1-NH1 2.77Å; D106-R109 IonicContact OD1-NH2 3.86Å; D106-R109 PolarHBondContact OD1-NH2 3.24Å; R109-R111 PolarHBondContact O-N 3.35Å; R109-N112 PolarHBondContact O-N 3.46Å; R109-E113 HydrophobicContact CG-CG 4.37Å; R109-E113 VanDerWaalsContact CG-OE1 3.28Å; R109-E113 WeakPolarHBondContact CG-OE1 3.33Å; R109-E113 WeakPolarHBondContact O-CB 3.33Å; R109-E113 WeakPolarHBondContact O-CG 3.37Å; R109-E113 PolarHBondContact O-N 3.2Å
110H98.4Very high94.8Very high19 Ų1958.4 Ų58.49%0.08831%0.311CS..Hα-helixtrans-61.7-44.5-177.5-175.174.8000112.6E70 D74 D106 N112 E113 K114E70-H110 HydrophobicContact CG-CB 3.92Å; E70-H110 PolarHBondContact O-NE2 2.98Å; D74-H110 IonicContact OD1-CD2 3.24Å; D74-H110 IonicContact OD1-CE1 2.77Å; D74-H110 IonicContact OD1-NE2 2.76Å; D74-H110 PolarHBondContact OD1-NE2 2.89Å; D106-H110 WeakPolarHBondContact O-CB 3.5Å; D106-H110 PolarHBondContact O-N 2.66Å; H110-N112 PolarHBondContact O-N 2.77Å; H110-E113 PolarHBondContact O-N 2.95Å; H110-K114 VanDerWaalsContact O-CB 3.25Å; H110-K114 WeakPolarHBondContact O-CB 3.45Å; H110-K114 PolarHBondContact O-N 2.72Å
111R97.1Very high94.8Very high24 Ų2458.7 Ų58.79%0.09131%0.312CS..Hα-helixtrans-57-51.1174.2180-160.461.3-161.1-5.5111.1V73 A107 R109 E113 Y115 L120 D152V73-R111 HydrophobicContact CG1-CB 4.09Å; A107-R111 WeakPolarHBondContact O-CB 3.42Å; A107-R111 PolarHBondContact O-N 2.62Å; R109-R111 PolarHBondContact O-N 3.35Å; R111-E113 VanDerWaalsContact C-N 3.35Å; R111-E113 PolarHBondContact O-N 2.77Å; R111-Y115 CarbonylContact O-C 3.54Å; R111-Y115 VanDerWaalsContact O-CA 3.23Å; R111-Y115 WeakPolarHBondContact O-CA 3.47Å; R111-Y115 WeakPolarHBondContact O-CB 3.15Å; R111-Y115 PolarHBondContact O-N 2.88Å; R111-L120 WeakPolarHBondContact CD-O 3.22Å; R111-L120 PolarHBondContact NH1-O 2.9Å; R111-D152 IonicContact CZ-OD2 3.6Å; R111-D152 IonicContact NH1-OD1 2.75Å; R111-D152 IonicContact NH1-OD2 2.77Å; R111-D152 PolarHBondContact NH1-OD2 2.73Å; R111-D152 IonicContact NH2-OD2 2.65Å
112N95.8Very high94.8Very high80 Ų8056.8 Ų56.843%0.42830%0.3SS..Hα-helixtrans-66.7-37.2-174.7-67.2-8.8000112.1V108 R109 H110V108-N112 WeakPolarHBondContact O-CB 3.43Å; V108-N112 PolarHBondContact O-N 2.86Å; V108-N112 PolarHBondContact O-ND2 3.28Å; V108-N112 PolarHBondContact O-OD1 2.84Å; R109-N112 PolarHBondContact O-N 3.46Å; H110-N112 PolarHBondContact O-N 2.77Å
113E96.3Very high94.9Very high142 Ų14252.1 Ų52.166%0.66427%0.267SS*.Hα-helixtrans-74-43.5179.9-72.6176.3179.800112.4R109 H110 R111R109-E113 HydrophobicContact CG-CG 4.37Å; R109-E113 VanDerWaalsContact CG-OE1 3.28Å; R109-E113 WeakPolarHBondContact CG-OE1 3.33Å; R109-E113 WeakPolarHBondContact O-CB 3.33Å; R109-E113 WeakPolarHBondContact O-CG 3.37Å; R109-E113 PolarHBondContact O-N 3.2Å; H110-E113 PolarHBondContact O-N 2.95Å; R111-E113 VanDerWaalsContact C-N 3.35Å; R111-E113 PolarHBondContact O-N 2.77Å
114K94Very high94.9Very high97 Ų9751.5 Ų51.542%0.42226%0.263SS..Hα-helixtrans-92.2-30.5-173.1-164170.2-179.5177.10113.6D74 H110D74-K114 WeakPolarHBondContact OD1-CD 3.49Å; D74-K114 WeakPolarHBondContact OD1-CE 3.2Å; D74-K114 IonicContact OD1-NZ 2.9Å; D74-K114 PolarHBondContact OD1-NZ 3.02Å; D74-K114 IonicContact OD2-NZ 3.98Å; D74-K114 PolarHBondContact OD2-NZ 2.85Å; H110-K114 VanDerWaalsContact O-CB 3.25Å; H110-K114 WeakPolarHBondContact O-CB 3.45Å; H110-K114 PolarHBondContact O-N 2.72Å
115Y89.8Confident94.9Very high28 Ų2851.6 Ų51.611%0.1126%0.264CS..  trans-13459.3-174-48.6-67.7000112.3V73 D74 T77 H78 R111 N117 S118V73-Y115 HydrophobicContact CG1-CD2 4.18Å; V73-Y115 HydrophobicContact CG1-CE2 4.18Å; D74-Y115 VanDerWaalsContact CG-OH 3.25Å; D74-Y115 VanDerWaalsContact OD1-CE2 3.29Å; D74-Y115 WeakPolarHBondContact OD1-CE2 3.39Å; D74-Y115 PolarHBondContact OD1-OH 2.96Å; T77-Y115 HydrophobicContact CG2-CD1 3.74Å; T77-Y115 HydrophobicContact CG2-CD2 4.17Å; T77-Y115 HydrophobicContact CG2-CE1 3.98Å; T77-Y115 HydrophobicContact CG2-CE2 4.4Å; T77-Y115 HydrophobicContact CG2-CG 3.85Å; H78-Y115 AromaticContact CD2-CE1 3.65Å; H78-Y115 AromaticContact CD2-CZ 3.98Å; H78-Y115 AromaticContact NE2-CD1 3.97Å; H78-Y115 AromaticContact NE2-CE1 3.32Å; H78-Y115 VanDerWaalsContact NE2-CE1 3.32Å; H78-Y115 WeakPolarHBondContact NE2-CE1 3.21Å; R111-Y115 CarbonylContact O-C 3.54Å; R111-Y115 VanDerWaalsContact O-CA 3.23Å; R111-Y115 WeakPolarHBondContact O-CA 3.47Å; R111-Y115 WeakPolarHBondContact O-CB 3.15Å; R111-Y115 PolarHBondContact O-N 2.88Å; Y115-N117 PolarHBondContact O-N 3.34Å; Y115-S118 WeakPolarHBondContact O-CB 3.29Å; Y115-S118 PolarHBondContact O-N 3.35Å
116P84.6Confident94.9Very high95 Ų9549.6 Ų49.662%0.61725%0.247SC*.THydrogen-bonded Turntrans-62.3-17.7-172.824.7-35.8000115.2
117N81.6Confident94.8Very high159 Ų15948.2 Ų48.285%0.8524%0.24SC*.THydrogen-bonded Turntrans-108.614.1178.5-59-41.2000112.8Y115Y115-N117 PolarHBondContact O-N 3.34Å
118S84.8Confident94.7Very high33 Ų3348.2 Ų48.223%0.23124%0.24CC..  trans-82.5139.4178.7-179.50000111.4Y115 L120Y115-S118 WeakPolarHBondContact O-CB 3.29Å; Y115-S118 PolarHBondContact O-N 3.35Å; S118-L120 PolarHBondContact O-N 3.02Å; S118-L120 WeakPolarHBondContact OG-CB 3.32Å; S118-L120 PolarHBondContact OG-N 3.4Å; S118-L120 VanDerWaalsContact OG-N 3.07Å
119D87.9Confident94.7Very high145 Ų14548.3 Ų48.378%0.77524%0.239SC*.  trans-825170.4-65.5-42.2000112.8R121D119-R121 PolarHBondContact O-N 2.98Å
120L95.5Very high94.6Very high1 Ų145.9 Ų45.91%0.00524%0.236CC..  trans-63.8120.9-179.3-177.171.1000111.1V73 A76 T77 C94 V97 R111 S118V73-L120 HydrophobicContact CG1-CD2 3.99Å; A76-L120 HydrophobicContact CB-CD1 3.85Å; A76-L120 HydrophobicContact CB-CD2 3.92Å; T77-L120 WeakPolarHBondContact OG1-CD2 3.43Å; C94-L120 HydrophobicContact CB-CD1 4.2Å; C94-L120 VanDerWaalsContact O-CD1 3.32Å; C94-L120 WeakPolarHBondContact O-CD1 3.31Å; V97-L120 HydrophobicContact CG1-CD2 4.28Å; R111-L120 WeakPolarHBondContact CD-O 3.22Å; R111-L120 PolarHBondContact NH1-O 2.9Å; S118-L120 PolarHBondContact O-N 3.02Å; S118-L120 WeakPolarHBondContact OG-CB 3.32Å; S118-L120 PolarHBondContact OG-N 3.4Å; S118-L120 VanDerWaalsContact OG-N 3.07Å
121R98.4Very high94.4Very high67 Ų6746.8 Ų46.825%0.25325%0.245SC..EExtended strand (participates in β ladder)trans-88.5148.5178.5-62-175.7-176.6110.2-12.4111.8S95 A96 V97 D119 D152 E153 R187 D285S95-R121 PolarHBondContact O-N 3.15Å; S95-R121 VanDerWaalsContact O-N 3.09Å; A96-R121 CarbonylContact C-O 3.48Å; A96-R121 WeakPolarHBondContact CA-O 3.48Å; A96-R121 HydrophobicContact CB-CB 3.97Å; A96-R121 VanDerWaalsContact CB-O 3.29Å; A96-R121 WeakPolarHBondContact CB-O 3.33Å; V97-R121 PolarHBondContact N-O 2.94Å; D119-R121 PolarHBondContact O-N 2.98Å; R121-D152 HydrophobicContact CB-CB 4.01Å; R121-D152 HydrophobicContact CG-CB 4.31Å; R121-E153 HydrophobicContact CB-CG 4.41Å; R121-E153 WeakPolarHBondContact CD-OE1 3.42Å; R121-R187 VanDerWaalsContact CD-NH2 3.26Å; R121-D285 IonicContact CZ-OD1 3.46Å; R121-D285 IonicContact NH1-OD1 2.76Å; R121-D285 PolarHBondContact NH1-OD1 3.37Å; R121-D285 IonicContact NH2-OD1 3.95Å; R121-D285 PolarHBondContact NH2-OD1 3.31Å
122V98.8Very high94.4Very high0 Ų045.6 Ų45.60%024%0.24CC..EExtended strand (participates in β ladder)trans-102.3107.1170.8178.70000108.3V97 V99 V104 A107 V108 D152 E153V97-V122 HydrophobicContact CG2-CB 4.5Å; V97-V122 HydrophobicContact CG2-CG1 4.49Å; V97-V122 HydrophobicContact CG2-CG2 4.12Å; V99-V122 HydrophobicContact CG2-CG1 4.44Å; V104-V122 HydrophobicContact CG1-CG1 4.26Å; A107-V122 HydrophobicContact CB-CG1 3.78Å; A107-V122 HydrophobicContact CB-CG2 3.99Å; V108-V122 HydrophobicContact CG2-CB 4Å; V108-V122 HydrophobicContact CG2-CG1 4.06Å; V108-V122 HydrophobicContact CG2-CG2 3.99Å; V122-D152 PolarHBondContact N-OD2 2.74Å; V122-D152 PolarHBondContact O-N 3.37Å; V122-E153 PolarHBondContact O-N 3.16Å
123A98.9Very high94.4Very high0 Ų048 Ų480%025%0.249CC..EExtended strand (participates in β ladder)trans-95.4153.617200000111.2A96 V97 C98 V99 E153A96-A123 HydrophobicContact CB-CB 4.5Å; V97-A123 WeakPolarHBondContact O-CA 3.21Å; V97-A123 WeakPolarHBondContact O-CB 2.98Å; V97-A123 PolarHBondContact O-N 3.46Å; C98-A123 VanDerWaalsContact CA-O 3.32Å; C98-A123 WeakPolarHBondContact CA-O 3.16Å; C98-A123 HydrophobicContact CB-CB 4.19Å; V99-A123 PolarHBondContact N-O 3.47Å; A123-E153 CarbonylContact C-O 3.54Å; A123-E153 VanDerWaalsContact CA-O 3.23Å; A123-E153 WeakPolarHBondContact CA-O 3.35Å; A123-E153 HydrophobicContact CB-CB 3.89Å
124T98.9Very high94.4Very high0 Ų047 Ų470%024%0.24CC..EExtended strand (participates in β ladder)trans-138.6173.2169.6-165.80000112.3V99 P101 V104 A146 A151 E153 V154 D155V99-T124 VanDerWaalsContact O-CA 3.27Å; V99-T124 WeakPolarHBondContact O-CA 3.13Å; V99-T124 WeakPolarHBondContact O-CB 3.23Å; V99-T124 PolarHBondContact O-OG1 2.79Å; P101-T124 WeakPolarHBondContact CA-OG1 3.28Å; P101-T124 WeakPolarHBondContact CD-OG1 3.42Å; P101-T124 VanDerWaalsContact N-OG1 3.16Å; V104-T124 VanDerWaalsContact CG2-CB 3.48Å; V104-T124 HydrophobicContact CG2-CG2 3.86Å; T124-A146 HydrophobicContact CG2-CB 3.51Å; T124-A151 HydrophobicContact CG2-CB 4.1Å; T124-E153 PolarHBondContact N-O 3.03Å; T124-V154 HydrophobicContact CG2-CG1 4.45Å; T124-V154 HydrophobicContact CG2-CG2 4.39Å; T124-D155 WeakPolarHBondContact O-CB 3.27Å; T124-D155 PolarHBondContact O-N 3.44Å
125V98.8Very high94.6Very high2 Ų250.1 Ų50.11%0.01225%0.254CS..EExtended strand (participates in β ladder)trans-105.5140.2175.7-66.90000110.8L60 Y100 P101 F129 D155L60-V125 HydrophobicContact CD1-CG1 3.74Å; L60-V125 HydrophobicContact CD1-CG2 4.5Å; L60-V125 HydrophobicContact CD2-CG1 4.17Å; L60-V125 HydrophobicContact CD2-CG2 3.72Å; Y100-V125 HydrophobicContact CD1-CG2 3.93Å; Y100-V125 HydrophobicContact CE1-CG2 4.16Å; P101-V125 WeakPolarHBondContact CG-O 3.46Å; V125-F129 HydrophobicContact CB-CB 3.94Å; V125-F129 HydrophobicContact CB-CD1 4.15Å; V125-F129 HydrophobicContact CB-CD2 3.56Å; V125-F129 HydrophobicContact CB-CE2 4.06Å; V125-F129 HydrophobicContact CB-CG 3.61Å; V125-F129 HydrophobicContact CG1-CD2 3.69Å; V125-F129 HydrophobicContact CG1-CE2 3.68Å; V125-F129 HydrophobicContact CG1-CG 4.19Å; V125-F129 HydrophobicContact CG1-CZ 4.21Å; V125-F129 HydrophobicContact CG2-CB 4.02Å; V125-F129 HydrophobicContact CG2-CD1 3.67Å; V125-F129 HydrophobicContact CG2-CD2 4.04Å; V125-F129 HydrophobicContact CG2-CE1 4.12Å; V125-F129 HydrophobicContact CG2-CE2 4.43Å; V125-F129 HydrophobicContact CG2-CG 3.63Å; V125-F129 HydrophobicContact CG2-CZ 4.49Å; V125-D155 WeakPolarHBondContact CA-O 3.44Å; V125-D155 HydrophobicContact CG1-CB 4.31Å
126A98.4Very high94.9Very high0 Ų050.3 Ų50.30%026%0.256CS..EExtended strand (participates in β ladder)trans-150.2-168.6177.600000110.9E142 V143 V154 D155 V156 V157A126-E142 HydrophobicContact CB-CB 4.06Å; A126-V143 HydrophobicContact CB-CG2 3.82Å; A126-V154 HydrophobicContact CB-CG1 3.58Å; A126-D155 PolarHBondContact N-O 3.22Å; A126-V156 HydrophobicContact CB-CG1 4.38Å; A126-V156 WeakPolarHBondContact O-CA 3.42Å; A126-V157 PolarHBondContact O-N 3.01Å
127G97.4Very high95.6Very high0 Ų052.7 Ų52.70%026%0.259CS..SBendtrans76.830.5175.700000113.2K139 E142G127-K139 WeakPolarHBondContact O-CD 3.27Å; G127-K139 WeakPolarHBondContact O-CE 3.39Å; G127-E142 PolarHBondContact N-OE2 2.94Å
128G97.3Very high96.4Very high0 Ų047.9 Ų47.90%024%0.236CC..SBendtrans80.435.6-176.900000113P130 S131 G132 E142G128-P130 CarbonylContact O-C 3.58Å; G128-S131 PolarHBondContact O-N 3.48Å; G128-S131 VanDerWaalsContact O-N 3.09Å; G128-G132 PolarHBondContact O-N 2.9Å; G128-E142 PolarHBondContact N-OE2 3.23Å
129F97.8Very high97Very high22 Ų2246.3 Ų46.310%0.09623%0.225CC..THydrogen-bonded Turntrans-59.6140.7-179.7-178.2-84.3000112.2L60 Y100 V125 V157 I191 T222 K224L60-F129 HydrophobicContact CD1-CE1 4.28Å; L60-F129 HydrophobicContact CD1-CE2 4.38Å; L60-F129 HydrophobicContact CD1-CZ 3.78Å; Y100-F129 HydrophobicContact CE1-CD1 4.02Å; Y100-F129 HydrophobicContact CE1-CE1 4.06Å; V125-F129 HydrophobicContact CB-CB 3.94Å; V125-F129 HydrophobicContact CB-CD1 4.15Å; V125-F129 HydrophobicContact CB-CD2 3.56Å; V125-F129 HydrophobicContact CB-CE2 4.06Å; V125-F129 HydrophobicContact CB-CG 3.61Å; V125-F129 HydrophobicContact CG1-CD2 3.69Å; V125-F129 HydrophobicContact CG1-CE2 3.68Å; V125-F129 HydrophobicContact CG1-CG 4.19Å; V125-F129 HydrophobicContact CG1-CZ 4.21Å; V125-F129 HydrophobicContact CG2-CB 4.02Å; V125-F129 HydrophobicContact CG2-CD1 3.67Å; V125-F129 HydrophobicContact CG2-CD2 4.04Å; V125-F129 HydrophobicContact CG2-CE1 4.12Å; V125-F129 HydrophobicContact CG2-CE2 4.43Å; V125-F129 HydrophobicContact CG2-CG 3.63Å; V125-F129 HydrophobicContact CG2-CZ 4.49Å; F129-V157 HydrophobicContact CB-CG2 4.15Å; F129-V157 HydrophobicContact CD2-CG2 3.7Å; F129-V157 HydrophobicContact CG-CG2 4.37Å; F129-I191 HydrophobicContact CD2-CD1 4.23Å; F129-I191 HydrophobicContact CE2-CD1 4.32Å; F129-T222 HydrophobicContact CD2-CG2 4.1Å; F129-T222 VanDerWaalsContact CE2-CB 3.48Å; F129-T222 HydrophobicContact CE2-CG2 3.82Å; F129-K224 HydrophobicContact CE1-CG 4.23Å; F129-K224 HydrophobicContact CZ-CG 3.91Å
130P96.3Very high97.5Very high49 Ų4940.4 Ų40.432%0.31819%0.194SC..THydrogen-bonded Turncis-84.3-20-3.832.5-33.6000113.3G128 G132 V157 R160 T222 K224G128-P130 CarbonylContact O-C 3.58Å; P130-G132 PolarHBondContact O-N 3.02Å; P130-V157 WeakPolarHBondContact O-CG1 3.36Å; P130-R160 PolarHBondContact O-NH2 2.96Å; P130-T222 HydrophobicContact CB-CG2 4.26Å; P130-K224 HydrophobicContact CB-CB 4Å; P130-K224 HydrophobicContact CB-CG 3.97Å; P130-K224 HydrophobicContact CG-CB 4.36Å; P130-K224 HydrophobicContact CG-CG 4.38Å
131S95.1Very high97.7Very high38 Ų3844.6 Ų44.627%0.26622%0.216SC..THydrogen-bonded Turntrans-73.5-25.9-163.768.10000115.4G128 Q133G128-S131 PolarHBondContact O-N 3.48Å; G128-S131 VanDerWaalsContact O-N 3.09Å; S131-Q133 PolarHBondContact O-N 2.78Å; S131-Q133 PolarHBondContact OG-N 2.76Å
132G96.4Very high97.7Very high0 Ų043.6 Ų43.60%021%0.214CC..THydrogen-bonded Turntrans67.514.6-171.200000113.8G128 P130 K139 N159G128-G132 PolarHBondContact O-N 2.9Å; P130-G132 PolarHBondContact O-N 3.02Å; G132-K139 WeakPolarHBondContact O-CE 3.47Å; G132-K139 PolarHBondContact O-NZ 3.25Å; G132-N159 WeakPolarHBondContact O-CA 3.5Å
133Q95.6Very high97.7Very high131 Ų13143.6 Ų43.661%0.61221%0.214SC*.  trans-10113.2-174-65.4-157.11.100115.1S131S131-Q133 PolarHBondContact O-N 2.78Å; S131-Q133 PolarHBondContact OG-N 2.76Å
134Y96.9Very high97.6Very high121 Ų12146.6 Ų46.648%0.47523%0.228SC..SBendtrans-81.7162.9-177.8-73.3-126.4000110.6K139Y134-K139 WeakPolarHBondContact O-CE 3.24Å
135F97.5Very high97.6Very high162 Ų16250.5 Ų50.571%0.71125%0.248SC*.  trans-62.6141.3175.1-66.4-68.9000110.7Q137 T138 K139F135-Q137 PolarHBondContact O-N 2.73Å; F135-Q137 VanDerWaalsContact O-N 3.1Å; F135-T138 PolarHBondContact O-N 3.5Å; F135-T138 PolarHBondContact O-OG1 2.97Å; F135-K139 WeakPolarHBondContact O-CG 3.41Å; F135-K139 PolarHBondContact O-N 2.9Å
136L97.2Very high97.6Very high31 Ų3150.4 Ų50.416%0.16225%0.248CC..Hα-helixtrans-55-34.1-179.1179.455.2000113.1T140 E174 R177L136-T140 VanDerWaalsContact O-CB 3.29Å; L136-T140 WeakPolarHBondContact O-CB 3.23Å; L136-T140 PolarHBondContact O-N 2.94Å; L136-T140 PolarHBondContact O-OG1 2.56Å; L136-E174 HydrophobicContact CD1-CB 3.93Å; L136-E174 HydrophobicContact CD1-CG 3.91Å; L136-E174 HydrophobicContact CD2-CG 4.27Å; L136-R177 HydrophobicContact CD1-CB 4.45Å
137Q98Very high97.6Very high146 Ų14652 Ų5268%0.68226%0.258SS*.Hα-helixtrans-61.8-45175.4-64.587.9-21.800111.9F135 L141F135-Q137 PolarHBondContact O-N 2.73Å; F135-Q137 VanDerWaalsContact O-N 3.1Å; Q137-L141 WeakPolarHBondContact O-CB 3.25Å; Q137-L141 PolarHBondContact O-N 2.86Å
138T98.1Very high97.7Very high57 Ų5757.7 Ų57.735%0.3528%0.284SS..Hα-helixtrans-72.9-40.7179.762.60000110.8F135 T140 L141 E142F135-T138 PolarHBondContact O-N 3.5Å; F135-T138 PolarHBondContact O-OG1 2.97Å; T138-T140 VanDerWaalsContact C-N 3.29Å; T138-T140 PolarHBondContact O-N 2.9Å; T138-L141 PolarHBondContact O-N 3.11Å; T138-L141 VanDerWaalsContact O-N 3.13Å; T138-E142 WeakPolarHBondContact O-CG 3.29Å; T138-E142 PolarHBondContact O-N 2.64Å
139K98.4Very high97.7Very high0 Ų061 Ų610%030%0.302CS..Hα-helixtrans-53.1-47.6172.5-67.8-169.7178.1-1740112.1G127 G132 Y134 F135 E142 V143 E174 M178G127-K139 WeakPolarHBondContact O-CD 3.27Å; G127-K139 WeakPolarHBondContact O-CE 3.39Å; G132-K139 WeakPolarHBondContact O-CE 3.47Å; G132-K139 PolarHBondContact O-NZ 3.25Å; Y134-K139 WeakPolarHBondContact O-CE 3.24Å; F135-K139 WeakPolarHBondContact O-CG 3.41Å; F135-K139 PolarHBondContact O-N 2.9Å; K139-E142 PolarHBondContact O-N 3.11Å; K139-V143 WeakPolarHBondContact O-CG2 3.44Å; K139-V143 PolarHBondContact O-N 2.92Å; K139-E174 IonicContact NZ-OE2 2.77Å; K139-E174 PolarHBondContact NZ-OE2 2.9Å; K139-M178 HydrophobicContact CB-SD 3.93Å; K139-M178 HydrophobicContact CD-SD 4.39Å
140T98.3Very high97.7Very high21 Ų2161.4 Ų61.413%0.12931%0.312CS..Hα-helixtrans-68.4-37.4-179.4-56.60000111.3L136 T138 Q144 K181L136-T140 VanDerWaalsContact O-CB 3.29Å; L136-T140 WeakPolarHBondContact O-CB 3.23Å; L136-T140 PolarHBondContact O-N 2.94Å; L136-T140 PolarHBondContact O-OG1 2.56Å; T138-T140 VanDerWaalsContact C-N 3.29Å; T138-T140 PolarHBondContact O-N 2.9Å; T140-Q144 PolarHBondContact O-N 3.06Å; T140-Q144 VanDerWaalsContact O-N 3.13Å; T140-K181 HydrophobicContact CG2-CD 4Å; T140-K181 HydrophobicContact CG2-CG 3.46Å; T140-K181 VanDerWaalsContact CG2-CG 3.46Å
141L98.5Very high97.9Very high89 Ų8959.2 Ų59.247%0.46630%0.298SS..Hα-helixtrans-66.8-41.5175.5-179.261.1000112Q137 T138 V143 Q144 L145Q137-L141 WeakPolarHBondContact O-CB 3.25Å; Q137-L141 PolarHBondContact O-N 2.86Å; T138-L141 PolarHBondContact O-N 3.11Å; T138-L141 VanDerWaalsContact O-N 3.13Å; L141-V143 VanDerWaalsContact C-N 3.31Å; L141-V143 PolarHBondContact O-N 3.08Å; L141-Q144 WeakPolarHBondContact O-CB 3.09Å; L141-Q144 PolarHBondContact O-N 3.14Å; L141-Q144 VanDerWaalsContact O-N 3.13Å; L141-L145 HydrophobicContact CD1-CD1 4.32Å; L141-L145 HydrophobicContact CD1-CD2 4.48Å; L141-L145 HydrophobicContact CD1-CG 4.1Å; L141-L145 HydrophobicContact CG-CD1 4.01Å; L141-L145 HydrophobicContact CG-CG 4.26Å; L141-L145 WeakPolarHBondContact O-CG 3.35Å; L141-L145 PolarHBondContact O-N 3.08Å
142E98.4Very high98Very high46 Ų4659.5 Ų59.522%0.21530%0.297CS..Hα-helixtrans-55.9-45.5175.3-72.7164.6-151.700111.6A126 G127 G128 T138 K139 Q144 L145 A146A126-E142 HydrophobicContact CB-CB 4.06Å; G127-E142 PolarHBondContact N-OE2 2.94Å; G128-E142 PolarHBondContact N-OE2 3.23Å; T138-E142 WeakPolarHBondContact O-CG 3.29Å; T138-E142 PolarHBondContact O-N 2.64Å; K139-E142 PolarHBondContact O-N 3.11Å; E142-Q144 VanDerWaalsContact C-N 3.35Å; E142-L145 PolarHBondContact O-N 3.37Å; E142-A146 WeakPolarHBondContact O-CB 3.35Å; E142-A146 PolarHBondContact O-N 3.44Å
143V98.7Very high98.1Very high0 Ų059.5 Ų59.50%030%0.297CS..Hα-helixtrans-62.6-43.9176.4178.10000110.8A126 K139 L141 A146 V147 V154 V156 M178 K181 C182A126-V143 HydrophobicContact CB-CG2 3.82Å; K139-V143 WeakPolarHBondContact O-CG2 3.44Å; K139-V143 PolarHBondContact O-N 2.92Å; L141-V143 VanDerWaalsContact C-N 3.31Å; L141-V143 PolarHBondContact O-N 3.08Å; V143-A146 PolarHBondContact O-N 3.12Å; V143-V147 VanDerWaalsContact O-CG2 3.28Å; V143-V147 WeakPolarHBondContact O-CG2 3.21Å; V143-V147 PolarHBondContact O-N 3.1Å; V143-V154 HydrophobicContact CG1-CG1 4.32Å; V143-V154 HydrophobicContact CG2-CG1 4.2Å; V143-V156 HydrophobicContact CG2-CG1 3.61Å; V143-M178 HydrophobicContact CG2-CB 4.17Å; V143-M178 HydrophobicContact CG2-CG 4.13Å; V143-M178 HydrophobicContact CG2-SD 4.27Å; V143-K181 HydrophobicContact CB-CB 4.25Å; V143-K181 HydrophobicContact CG1-CB 3.77Å; V143-C182 VanDerWaalsContact CG1-SG 3.58Å
144Q98.5Very high98.3Very high63 Ų6353.3 Ų53.329%0.29427%0.268SS..Hα-helixtrans-61.4-46178.4177.9173.8-1800111.8T140 L141 E142 V147 E148 K181T140-Q144 PolarHBondContact O-N 3.06Å; T140-Q144 VanDerWaalsContact O-N 3.13Å; L141-Q144 WeakPolarHBondContact O-CB 3.09Å; L141-Q144 PolarHBondContact O-N 3.14Å; L141-Q144 VanDerWaalsContact O-N 3.13Å; E142-Q144 VanDerWaalsContact C-N 3.35Å; Q144-V147 PolarHBondContact O-N 3.37Å; Q144-E148 HydrophobicContact CG-CG 4.49Å; Q144-E148 VanDerWaalsContact CG-OE1 3.24Å; Q144-E148 WeakPolarHBondContact CG-OE1 3.32Å; Q144-E148 PolarHBondContact NE2-OE1 2.92Å; Q144-E148 WeakPolarHBondContact O-CG 3.07Å; Q144-E148 PolarHBondContact O-N 2.83Å; Q144-K181 HydrophobicContact CB-CB 4.48Å; Q144-K181 HydrophobicContact CB-CD 4.31Å; Q144-K181 HydrophobicContact CB-CG 4.42Å
145L98.7Very high98.4Very high82 Ų8247.5 Ų47.543%0.42925%0.245SC..Hα-helixtrans-63.7-42.7178.8-67.9173.3000111.6L141 E142 V147 E148 D149L141-L145 HydrophobicContact CD1-CD1 4.32Å; L141-L145 HydrophobicContact CD1-CD2 4.48Å; L141-L145 HydrophobicContact CD1-CG 4.1Å; L141-L145 HydrophobicContact CG-CD1 4.01Å; L141-L145 HydrophobicContact CG-CG 4.26Å; L141-L145 WeakPolarHBondContact O-CG 3.35Å; L141-L145 PolarHBondContact O-N 3.08Å; E142-L145 PolarHBondContact O-N 3.37Å; L145-V147 VanDerWaalsContact C-N 3.3Å; L145-V147 PolarHBondContact O-N 3.45Å; L145-E148 PolarHBondContact O-N 3.12Å; L145-E148 VanDerWaalsContact O-N 3.15Å; L145-D149 PolarHBondContact O-N 3.24Å
146A98.5Very high98.5Very high1 Ų139.8 Ų39.81%0.00821%0.211CC..Hα-helixtrans-58.7-40.9174.900000112.9T124 E142 V143 D149 G150 A151 V154T124-A146 HydrophobicContact CG2-CB 3.51Å; E142-A146 WeakPolarHBondContact O-CB 3.35Å; E142-A146 PolarHBondContact O-N 3.44Å; V143-A146 PolarHBondContact O-N 3.12Å; A146-D149 PolarHBondContact O-N 3.27Å; A146-G150 PolarHBondContact O-N 2.63Å; A146-A151 HydrophobicContact CB-CB 4.47Å; A146-A151 VanDerWaalsContact O-CB 3.22Å; A146-A151 WeakPolarHBondContact O-CB 3.43Å; A146-A151 PolarHBondContact O-N 3.2Å; A146-V154 HydrophobicContact CB-CG2 4.22Å
147V98.5Very high98.5Very high32 Ų3238.3 Ų38.319%0.19420%0.204CC..Hα-helixtrans-66.1-42.4175.21700000110.9V143 Q144 L145 D149 G150 V154 P183 V186V143-V147 VanDerWaalsContact O-CG2 3.28Å; V143-V147 WeakPolarHBondContact O-CG2 3.21Å; V143-V147 PolarHBondContact O-N 3.1Å; Q144-V147 PolarHBondContact O-N 3.37Å; L145-V147 VanDerWaalsContact C-N 3.3Å; L145-V147 PolarHBondContact O-N 3.45Å; V147-D149 VanDerWaalsContact C-N 3.3Å; V147-D149 PolarHBondContact O-N 2.69Å; V147-G150 PolarHBondContact O-N 2.85Å; V147-G150 VanDerWaalsContact O-N 3.07Å; V147-V154 HydrophobicContact CG2-CG2 4.38Å; V147-P183 HydrophobicContact CG1-CG 4.04Å; V147-V186 HydrophobicContact CG2-CG1 4.11Å
148E98.4Very high98.5Very high121 Ų12131.5 Ų31.557%0.56517%0.172SC*.Hα-helixtrans-63.7-34.6177.2-73.2170-17100112.3Q144 L145 G150Q144-E148 HydrophobicContact CG-CG 4.49Å; Q144-E148 VanDerWaalsContact CG-OE1 3.24Å; Q144-E148 WeakPolarHBondContact CG-OE1 3.32Å; Q144-E148 PolarHBondContact NE2-OE1 2.92Å; Q144-E148 WeakPolarHBondContact O-CG 3.07Å; Q144-E148 PolarHBondContact O-N 2.83Å; L145-E148 PolarHBondContact O-N 3.12Å; L145-E148 VanDerWaalsContact O-N 3.15Å; E148-G150 PolarHBondContact O-N 2.66Å
149D98.5Very high98.4Very high70 Ų7029.9 Ų29.937%0.37416%0.161SC..THydrogen-bonded Turntrans-75.1-4.3173.9-73.5-21.8000113.5V104 A105 L145 A146 V147V104-D149 HydrophobicContact CB-CB 4Å; V104-D149 HydrophobicContact CG1-CB 3.82Å; A105-D149 HydrophobicContact CB-CB 4.35Å; L145-D149 PolarHBondContact O-N 3.24Å; A146-D149 PolarHBondContact O-N 3.27Å; V147-D149 VanDerWaalsContact C-N 3.3Å; V147-D149 PolarHBondContact O-N 2.69Å
150G98.2Very high98.2Very high30 Ų3031.9 Ų31.931%0.30917%0.168SC..THydrogen-bonded Turntrans94.519.6172.300000115.6V108 A146 V147 E148 D152V108-G150 WeakPolarHBondContact CG2-O 3.4Å; A146-G150 PolarHBondContact O-N 2.63Å; V147-G150 PolarHBondContact O-N 2.85Å; V147-G150 VanDerWaalsContact O-N 3.07Å; E148-G150 PolarHBondContact O-N 2.66Å; G150-D152 PolarHBondContact O-N 2.88Å
151A98.6Very high98.1Very high2 Ų232.8 Ų32.82%0.01718%0.178CC..  trans-59.6131.7174.100000111.4V104 T124 A146 E153 V154 V186V104-A151 HydrophobicContact CG1-CB 3.82Å; T124-A151 HydrophobicContact CG2-CB 4.1Å; A146-A151 HydrophobicContact CB-CB 4.47Å; A146-A151 VanDerWaalsContact O-CB 3.22Å; A146-A151 WeakPolarHBondContact O-CB 3.43Å; A146-A151 PolarHBondContact O-N 3.2Å; A151-E153 VanDerWaalsContact C-N 3.34Å; A151-V154 HydrophobicContact CB-CG2 4.34Å; A151-V186 WeakPolarHBondContact O-CG2 3.33Å
152D98.6Very high98Very high45 Ų4530.2 Ų30.224%0.24117%0.165CC..SBendtrans-77.8-25.8172.4-55.1-72.9000111.4R111 R121 V122 G150 V186 R187R111-D152 IonicContact CZ-OD2 3.6Å; R111-D152 IonicContact NH1-OD1 2.75Å; R111-D152 IonicContact NH1-OD2 2.77Å; R111-D152 PolarHBondContact NH1-OD2 2.73Å; R111-D152 IonicContact NH2-OD2 2.65Å; R121-D152 HydrophobicContact CB-CB 4.01Å; R121-D152 HydrophobicContact CG-CB 4.31Å; V122-D152 PolarHBondContact N-OD2 2.74Å; V122-D152 PolarHBondContact O-N 3.37Å; G150-D152 PolarHBondContact O-N 2.88Å; D152-V186 VanDerWaalsContact O-CA 3.32Å; D152-V186 WeakPolarHBondContact O-CA 3.41Å; D152-R187 PolarHBondContact O-N 3.26Å
153E98.8Very high97.8Very high0 Ų028 Ų280%016%0.155CC..EExtended strand (participates in β ladder)trans-144.1143.1-176.4-45.6179150.500111.8R121 V122 A123 T124 A151 R187 K189 R288R121-E153 HydrophobicContact CB-CG 4.41Å; R121-E153 WeakPolarHBondContact CD-OE1 3.42Å; V122-E153 PolarHBondContact O-N 3.16Å; A123-E153 CarbonylContact C-O 3.54Å; A123-E153 VanDerWaalsContact CA-O 3.23Å; A123-E153 WeakPolarHBondContact CA-O 3.35Å; A123-E153 HydrophobicContact CB-CB 3.89Å; T124-E153 PolarHBondContact N-O 3.03Å; A151-E153 VanDerWaalsContact C-N 3.34Å; E153-R187 CarbonylContact C-O 3.49Å; E153-R187 WeakPolarHBondContact CA-O 3.5Å; E153-R187 HydrophobicContact CG-CB 4.3Å; E153-R187 IonicContact OE1-CZ 3.48Å; E153-R187 VanDerWaalsContact OE1-CZ 3.31Å; E153-R187 IonicContact OE1-NE 3.31Å; E153-R187 PolarHBondContact OE1-NE 2.7Å; E153-R187 IonicContact OE1-NH2 3.01Å; E153-R187 PolarHBondContact OE1-NH2 2.84Å; E153-K189 VanDerWaalsContact CB-NZ 3.25Å; E153-K189 WeakPolarHBondContact OE2-CE 3.45Å; E153-K189 IonicContact OE2-NZ 2.82Å; E153-K189 PolarHBondContact OE2-NZ 3.33Å; E153-R288 IonicContact OE1-CZ 3.72Å; E153-R288 IonicContact OE1-NH1 3.67Å; E153-R288 PolarHBondContact OE1-NH1 3.19Å; E153-R288 IonicContact OE1-NH2 2.73Å; E153-R288 PolarHBondContact OE1-NH2 3.06Å; E153-R288 IonicContact OE2-CZ 3.21Å; E153-R288 IonicContact OE2-NH1 2.67Å; E153-R288 PolarHBondContact OE2-NH1 2.92Å; E153-R288 IonicContact OE2-NH2 2.85Å
154V98.8Very high97.6Very high0 Ų030.3 Ų30.30%017%0.174CC..EExtended strand (participates in β ladder)trans-128.6119.5178.9-172.90000110.4T124 A126 V143 A146 V147 A151 V156 V186 R187 M188 K189T124-V154 HydrophobicContact CG2-CG1 4.45Å; T124-V154 HydrophobicContact CG2-CG2 4.39Å; A126-V154 HydrophobicContact CB-CG1 3.58Å; V143-V154 HydrophobicContact CG1-CG1 4.32Å; V143-V154 HydrophobicContact CG2-CG1 4.2Å; A146-V154 HydrophobicContact CB-CG2 4.22Å; V147-V154 HydrophobicContact CG2-CG2 4.38Å; A151-V154 HydrophobicContact CB-CG2 4.34Å; V154-V156 HydrophobicContact CG1-CG1 4.02Å; V154-V186 HydrophobicContact CG2-CG1 4.1Å; V154-R187 PolarHBondContact N-O 3.09Å; V154-M188 CarbonylContact O-C 3.57Å; V154-M188 WeakPolarHBondContact O-CA 3.21Å; V154-K189 PolarHBondContact O-N 3.49Å
155D98.9Very high97.4Very high0 Ų035 Ų350%019%0.193CC..EExtended strand (participates in β ladder)trans-92.5101.6177.1-70.122.6000109.6T124 V125 A126 K189 I191 K219 K255T124-D155 WeakPolarHBondContact O-CB 3.27Å; T124-D155 PolarHBondContact O-N 3.44Å; V125-D155 WeakPolarHBondContact CA-O 3.44Å; V125-D155 HydrophobicContact CG1-CB 4.31Å; A126-D155 PolarHBondContact N-O 3.22Å; D155-K189 CarbonylContact C-O 3.44Å; D155-K189 VanDerWaalsContact CA-O 3.25Å; D155-K189 WeakPolarHBondContact CA-O 3.47Å; D155-K189 WeakPolarHBondContact OD1-CB 3.29Å; D155-K189 VanDerWaalsContact OD1-CD 3.23Å; D155-K189 WeakPolarHBondContact OD1-CD 3.26Å; D155-K189 VanDerWaalsContact OD1-CG 3.27Å; D155-K189 WeakPolarHBondContact OD1-CG 3.34Å; D155-K189 IonicContact OD1-NZ 2.89Å; D155-K189 PolarHBondContact OD1-NZ 3.34Å; D155-I191 HydrophobicContact CB-CD1 3.92Å; D155-I191 HydrophobicContact CB-CG1 4.32Å; D155-K219 WeakPolarHBondContact OD2-CD 3.43Å; D155-K219 IonicContact OD2-NZ 3.22Å; D155-K219 PolarHBondContact OD2-NZ 3.09Å; D155-K255 IonicContact OD1-NZ 2.73Å; D155-K255 IonicContact OD2-NZ 2.88Å; D155-K255 PolarHBondContact OD2-NZ 3.19Å
156V98.8Very high97.2Very high0 Ų032.8 Ų32.80%019%0.189CC..EExtended strand (participates in β ladder)trans-95.6144.8-178.9-60.50000112.3A126 V143 V154 L175 M178 M188 K189 T190 I191A126-V156 HydrophobicContact CB-CG1 4.38Å; A126-V156 WeakPolarHBondContact O-CA 3.42Å; V143-V156 HydrophobicContact CG2-CG1 3.61Å; V154-V156 HydrophobicContact CG1-CG1 4.02Å; V156-L175 HydrophobicContact CG2-CD2 3.87Å; V156-M178 HydrophobicContact CB-CE 4.2Å; V156-M178 HydrophobicContact CB-SD 4Å; V156-M178 HydrophobicContact CG1-CB 4.5Å; V156-M178 HydrophobicContact CG1-SD 3.98Å; V156-M178 HydrophobicContact CG2-CE 4.22Å; V156-M188 HydrophobicContact CG1-CG 4.3Å; V156-M188 HydrophobicContact CG1-SD 4.4Å; V156-M188 HydrophobicContact CG2-CE 4.45Å; V156-M188 HydrophobicContact CG2-CG 3.87Å; V156-M188 HydrophobicContact CG2-SD 3.79Å; V156-K189 PolarHBondContact N-O 2.88Å; V156-T190 CarbonylContact O-C 3.55Å; V156-T190 WeakPolarHBondContact O-CA 3.23Å; V156-I191 PolarHBondContact O-N 3.24Å
157V98.3Very high97Very high0 Ų037.7 Ų37.70%021%0.211CC..EExtended strand (participates in β ladder)trans-99.9134.7-180-164.90000112.1A126 F129 P130 I191 T222A126-V157 PolarHBondContact O-N 3.01Å; F129-V157 HydrophobicContact CB-CG2 4.15Å; F129-V157 HydrophobicContact CD2-CG2 3.7Å; F129-V157 HydrophobicContact CG-CG2 4.37Å; P130-V157 WeakPolarHBondContact O-CG1 3.36Å; V157-I191 HydrophobicContact CB-CB 4.49Å; V157-I191 HydrophobicContact CG1-CB 4.4Å; V157-I191 HydrophobicContact CG1-CG2 4.4Å; V157-I191 HydrophobicContact CG2-CB 4.24Å; V157-I191 HydrophobicContact CG2-CD1 3.77Å; V157-T222 HydrophobicContact CG1-CG2 4.04Å; V157-T222 HydrophobicContact CG2-CG2 3.87Å
158I98.1Very high96.9Very high2 Ų237 Ų371%0.0121%0.205CC..PPolyproline II helixtrans-68.7155.1171.169.1170.3000111.8R160 A163 I171 L175 T190 I191 L192 A206I158-R160 PolarHBondContact O-N 3.19Å; I158-R160 VanDerWaalsContact O-N 3.13Å; I158-A163 HydrophobicContact CD1-CB 4.08Å; I158-I171 HydrophobicContact CB-CG2 4.21Å; I158-I171 HydrophobicContact CG2-CG2 3.97Å; I158-L175 HydrophobicContact CG2-CD1 4.17Å; I158-L175 HydrophobicContact CG2-CD2 4.27Å; I158-T190 HydrophobicContact CG2-CG2 3.5Å; I158-T190 VanDerWaalsContact CG2-CG2 3.5Å; I158-I191 PolarHBondContact N-O 3.49Å; I158-I191 VanDerWaalsContact N-O 3.08Å; I158-L192 WeakPolarHBondContact CD1-O 3.37Å; I158-L192 WeakPolarHBondContact CG1-O 3.26Å; I158-L192 HydrophobicContact CG2-CD2 4.45Å; I158-A206 HydrophobicContact CD1-CB 4.44Å
159N96.8Very high96.7Very high24 Ų2434.8 Ų34.813%0.12820%0.196CC..  trans-75.7102.2168.6-170.9-31.8000110.4G132 A161 L162 A163G132-N159 WeakPolarHBondContact O-CA 3.5Å; N159-A161 VanDerWaalsContact C-N 3.26Å; N159-A161 PolarHBondContact O-N 3.11Å; N159-A161 WeakPolarHBondContact OD1-CB 3.46Å; N159-A161 PolarHBondContact OD1-N 2.92Å; N159-L162 HydrophobicContact CB-CB 4.17Å; N159-L162 HydrophobicContact CB-CD1 3.79Å; N159-L162 HydrophobicContact CB-CG 3.89Å; N159-L162 WeakPolarHBondContact O-CB 3.47Å; N159-L162 PolarHBondContact O-N 3.23Å; N159-L162 PolarHBondContact OD1-N 3.29Å; N159-A163 PolarHBondContact O-N 3.38Å
160R93.8Very high96.6Very high41 Ų4134.1 Ų34.116%0.15520%0.195CC..Hα-helixtrans-61.4-32.7-175.8-46.9-179.4-153.5173.2-3.2112.9P130 I158 L162 A163 A164 S193 D196 E225P130-R160 PolarHBondContact O-NH2 2.96Å; I158-R160 PolarHBondContact O-N 3.19Å; I158-R160 VanDerWaalsContact O-N 3.13Å; R160-L162 VanDerWaalsContact C-N 3.3Å; R160-L162 PolarHBondContact O-N 3.1Å; R160-A163 PolarHBondContact O-N 2.97Å; R160-A164 WeakPolarHBondContact O-CB 3.33Å; R160-A164 PolarHBondContact O-N 3.24Å; R160-S193 PolarHBondContact NE-OG 3.3Å; R160-S193 VanDerWaalsContact NE-OG 3.13Å; R160-D196 WeakPolarHBondContact CD-OD2 3.41Å; R160-D196 IonicContact CZ-OD2 3.24Å; R160-D196 IonicContact NE-OD2 3.92Å; R160-D196 IonicContact NH1-OD2 3.17Å; R160-D196 PolarHBondContact NH1-OD2 2.77Å; R160-E225 IonicContact CZ-OE1 2.69Å; R160-E225 IonicContact NH2-OE1 3.04Å
161A94.7Very high96.6Very high41 Ų4132.8 Ų32.834%0.33918%0.181SC..Hα-helixtrans-69.8-28.1177.500000112.6N159 K165N159-A161 VanDerWaalsContact C-N 3.26Å; N159-A161 PolarHBondContact O-N 3.11Å; N159-A161 WeakPolarHBondContact OD1-CB 3.46Å; N159-A161 PolarHBondContact OD1-N 2.92Å; A161-K165 WeakPolarHBondContact O-CG 3.35Å
162L96.4Very high96.5Very high34 Ų3433.3 Ų33.318%0.17818%0.183CC..Hα-helixtrans-73-40.8170.8-66.2-177.7000110.9N159 R160 K165 G166 K167 V170 I171N159-L162 HydrophobicContact CB-CB 4.17Å; N159-L162 HydrophobicContact CB-CD1 3.79Å; N159-L162 HydrophobicContact CB-CG 3.89Å; N159-L162 WeakPolarHBondContact O-CB 3.47Å; N159-L162 PolarHBondContact O-N 3.23Å; N159-L162 PolarHBondContact OD1-N 3.29Å; R160-L162 VanDerWaalsContact C-N 3.3Å; R160-L162 PolarHBondContact O-N 3.1Å; L162-K165 CarbonylContact O-C 3.5Å; L162-K165 PolarHBondContact O-N 3.14Å; L162-K165 VanDerWaalsContact O-N 3.12Å; L162-G166 PolarHBondContact O-N 2.87Å; L162-K167 HydrophobicContact CB-CB 4.01Å; L162-K167 HydrophobicContact CD2-CB 4.06Å; L162-K167 HydrophobicContact CD2-CG 4.32Å; L162-K167 WeakPolarHBondContact O-CB 3.39Å; L162-K167 PolarHBondContact O-N 3.12Å; L162-V170 HydrophobicContact CD1-CB 4.03Å; L162-V170 HydrophobicContact CD1-CG1 3.57Å; L162-I171 HydrophobicContact CB-CD1 3.91Å; L162-I171 HydrophobicContact CB-CG1 3.78Å; L162-I171 HydrophobicContact CD1-CG1 4.26Å
163A95.8Very high96.4Very high1 Ų135.3 Ų35.31%0.00819%0.193CC..Hα-helixtrans-63.1-46.4179.200000111I158 N159 R160 K165 G166 W168 I171 L197I158-A163 HydrophobicContact CD1-CB 4.08Å; N159-A163 PolarHBondContact O-N 3.38Å; R160-A163 PolarHBondContact O-N 2.97Å; A163-K165 PolarHBondContact O-N 2.83Å; A163-G166 PolarHBondContact O-N 3.18Å; A163-W168 HydrophobicContact CB-CH2 3.92Å; A163-W168 HydrophobicContact CB-CZ3 3.72Å; A163-I171 HydrophobicContact CB-CD1 3.8Å; A163-L197 HydrophobicContact CB-CD2 3.55Å
164A93.4Very high96.3Very high48 Ų4836.3 Ų36.340%0.39720%0.198SC..THydrogen-bonded Turntrans-58.6-23.5175.500000113.7R160 N198R160-A164 WeakPolarHBondContact O-CB 3.33Å; R160-A164 PolarHBondContact O-N 3.24Å; A164-N198 PolarHBondContact O-ND2 2.9Å
165K95Very high96.3Very high162 Ų16236.4 Ų36.470%0.70420%0.198SC*.THydrogen-bonded Turntrans-98.15.6176.8-67.8178-177.3177.10113.5A161 L162 A163 K167A161-K165 WeakPolarHBondContact O-CG 3.35Å; L162-K165 CarbonylContact O-C 3.5Å; L162-K165 PolarHBondContact O-N 3.14Å; L162-K165 VanDerWaalsContact O-N 3.12Å; A163-K165 PolarHBondContact O-N 2.83Å; K165-K167 HydrophobicContact CB-CG 4.03Å; K165-K167 PolarHBondContact O-N 3.17Å
166G93.2Very high96.2Very high34 Ų3437.4 Ų37.435%0.35121%0.205SC..THydrogen-bonded Turntrans63.725.1-176.700000114.3L162 A163 W168L162-G166 PolarHBondContact O-N 2.87Å; A163-G166 PolarHBondContact O-N 3.18Å; G166-W168 VanDerWaalsContact O-CD1 3.31Å; G166-W168 PolarHBondContact O-N 2.85Å
167K95.8Very high96.2Very high104 Ų10443.9 Ų43.945%0.45223%0.229SC..  trans-83.458.3179.6-64.7-62.4-175.2-178.20111.6L162 K165 V170 I171L162-K167 HydrophobicContact CB-CB 4.01Å; L162-K167 HydrophobicContact CD2-CB 4.06Å; L162-K167 HydrophobicContact CD2-CG 4.32Å; L162-K167 WeakPolarHBondContact O-CB 3.39Å; L162-K167 PolarHBondContact O-N 3.12Å; K165-K167 HydrophobicContact CB-CG 4.03Å; K165-K167 PolarHBondContact O-N 3.17Å; K167-V170 HydrophobicContact CB-CB 4.36Å; K167-V170 HydrophobicContact CB-CG2 4.23Å; K167-V170 PolarHBondContact O-N 3.29Å; K167-I171 PolarHBondContact O-N 3.38Å; K167-I171 VanDerWaalsContact O-N 3.15Å
168W95.8Very high96.1Very high19 Ų1943.9 Ų43.97%0.07223%0.229CC..Hα-helixtrans-65.9-35.5-174.5-57.4124.6000113.7F10 A163 G166 I171 H172 D202 R205 A206 V209F10-W168 HydrophobicContact CE2-CB 4.25Å; F10-W168 HydrophobicContact CZ-CB 3.95Å; A163-W168 HydrophobicContact CB-CH2 3.92Å; A163-W168 HydrophobicContact CB-CZ3 3.72Å; G166-W168 VanDerWaalsContact O-CD1 3.31Å; G166-W168 PolarHBondContact O-N 2.85Å; W168-I171 HydrophobicContact CE3-CD1 3.85Å; W168-I171 HydrophobicContact CZ3-CD1 4.02Å; W168-I171 PolarHBondContact O-N 3Å; W168-H172 WeakPolarHBondContact O-CB 3.42Å; W168-H172 PolarHBondContact O-N 3.45Å; W168-D202 HydrophobicContact CH2-CB 4.09Å; W168-D202 HydrophobicContact CZ2-CB 4.1Å; W168-R205 HydrophobicContact CD2-CB 4.26Å; W168-R205 HydrophobicContact CH2-CB 4.34Å; W168-R205 HydrophobicContact CZ2-CB 3.94Å; W168-A206 HydrophobicContact CH2-CB 4.37Å; W168-A206 HydrophobicContact CZ3-CB 3.89Å; W168-V209 HydrophobicContact CB-CG2 3.74Å; W168-V209 HydrophobicContact CD2-CG2 4.39Å; W168-V209 HydrophobicContact CE3-CG2 4.15Å; W168-V209 HydrophobicContact CG-CG2 4.26Å
169D95.3Very high96.1Very high73 Ų7345.5 Ų45.539%0.3924%0.236SC..Hα-helixtrans-61.1-44.6173.759-37.6000111.7F10 H172 D173F10-D169 HydrophobicContact CD1-CB 4.32Å; F10-D169 HydrophobicContact CE1-CB 3.9Å; F10-D169 HydrophobicContact CZ-CB 4.44Å; D169-H172 WeakPolarHBondContact O-CB 3.37Å; D169-H172 PolarHBondContact O-N 3.14Å; D169-D173 PolarHBondContact O-N 3.32Å
170V96.3Very high96.1Very high57 Ų5750.3 Ų50.335%0.34526%0.261SS..Hα-helixtrans-67.8-40.6178.3-172.40000110.9L162 K167 H172 D173 E174L162-V170 HydrophobicContact CD1-CB 4.03Å; L162-V170 HydrophobicContact CD1-CG1 3.57Å; K167-V170 HydrophobicContact CB-CB 4.36Å; K167-V170 HydrophobicContact CB-CG2 4.23Å; K167-V170 PolarHBondContact O-N 3.29Å; V170-H172 VanDerWaalsContact C-N 3.35Å; V170-D173 PolarHBondContact O-N 2.84Å; V170-E174 WeakPolarHBondContact O-CG 3.37Å; V170-E174 PolarHBondContact O-N 3.43Å
171I97Very high96.3Very high2 Ų252.1 Ų52.11%0.0127%0.27CS..Hα-helixtrans-62.3-43.7174.9-67.9164.6000110.7I158 L162 A163 K167 W168 D173 E174 L175 V209I158-I171 HydrophobicContact CB-CG2 4.21Å; I158-I171 HydrophobicContact CG2-CG2 3.97Å; L162-I171 HydrophobicContact CB-CD1 3.91Å; L162-I171 HydrophobicContact CB-CG1 3.78Å; L162-I171 HydrophobicContact CD1-CG1 4.26Å; A163-I171 HydrophobicContact CB-CD1 3.8Å; K167-I171 PolarHBondContact O-N 3.38Å; K167-I171 VanDerWaalsContact O-N 3.15Å; W168-I171 HydrophobicContact CE3-CD1 3.85Å; W168-I171 HydrophobicContact CZ3-CD1 4.02Å; W168-I171 PolarHBondContact O-N 3Å; I171-D173 VanDerWaalsContact C-N 3.29Å; I171-D173 PolarHBondContact O-N 2.92Å; I171-E174 PolarHBondContact O-N 3.5Å; I171-L175 HydrophobicContact CG2-CD1 3.8Å; I171-L175 HydrophobicContact CG2-CG 4.21Å; I171-L175 WeakPolarHBondContact O-CB 3.08Å; I171-L175 WeakPolarHBondContact O-CG 3.23Å; I171-L175 PolarHBondContact O-N 2.91Å; I171-V209 HydrophobicContact CB-CG1 4.13Å; I171-V209 HydrophobicContact CG2-CG1 3.75Å
172H97.2Very high96.4Very high13 Ų1350.7 Ų50.76%0.0626%0.258CS..Hα-helixtrans-55-46.3175.6174.4-89000111.5F10 W168 D169 V170 L175 T176 V209F10-H172 HydrophobicContact CD2-CB 3.94Å; F10-H172 AromaticContact CD2-CD2 3.96Å; F10-H172 AromaticContact CD2-CG 3.93Å; F10-H172 HydrophobicContact CE2-CB 4.49Å; F10-H172 HydrophobicContact CG-CB 4.33Å; W168-H172 WeakPolarHBondContact O-CB 3.42Å; W168-H172 PolarHBondContact O-N 3.45Å; D169-H172 WeakPolarHBondContact O-CB 3.37Å; D169-H172 PolarHBondContact O-N 3.14Å; V170-H172 VanDerWaalsContact C-N 3.35Å; H172-L175 PolarHBondContact O-N 3.44Å; H172-T176 PolarHBondContact CE1-OG1 2.74Å; H172-T176 WeakPolarHBondContact O-CB 3.47Å; H172-T176 PolarHBondContact O-N 2.84Å; H172-T176 PolarHBondContact O-OG1 2.93Å; H172-V209 HydrophobicContact CB-CG1 3.98Å
173D96.1Very high96.4Very high86 Ų8650.9 Ų50.946%0.4626%0.261SS..Hα-helixtrans-66.3-40.3179.5-792.8000112.7D169 V170 I171 R177D169-D173 PolarHBondContact O-N 3.32Å; V170-D173 PolarHBondContact O-N 2.84Å; I171-D173 VanDerWaalsContact C-N 3.29Å; I171-D173 PolarHBondContact O-N 2.92Å; D173-R177 WeakPolarHBondContact O-CD 3.5Å; D173-R177 WeakPolarHBondContact O-CG 3.42Å; D173-R177 PolarHBondContact O-N 3.24Å; D173-R177 VanDerWaalsContact O-N 3.14Å
174E97.8Very high96.2Very high22 Ų2256 Ų5610%0.10329%0.294CS..Hα-helixtrans-61.2-48.1174.7-69.7-162.6165.800111.2L136 K139 V170 I171 R177 M178L136-E174 HydrophobicContact CD1-CB 3.93Å; L136-E174 HydrophobicContact CD1-CG 3.91Å; L136-E174 HydrophobicContact CD2-CG 4.27Å; K139-E174 IonicContact NZ-OE2 2.77Å; K139-E174 PolarHBondContact NZ-OE2 2.9Å; V170-E174 WeakPolarHBondContact O-CG 3.37Å; V170-E174 PolarHBondContact O-N 3.43Å; I171-E174 PolarHBondContact O-N 3.5Å; E174-R177 PolarHBondContact O-N 2.78Å; E174-M178 HydrophobicContact CB-CE 4.49Å; E174-M178 PolarHBondContact O-N 2.97Å; E174-M178 VanDerWaalsContact O-N 3.11Å
175L98Very high96.2Very high1 Ų160.9 Ų60.91%0.00531%0.308CS..Hα-helixtrans-65.2-41.6-179.7-69.2175.8000112V156 I158 I171 H172 R177 M178 K179 T190 V209 A210 A213V156-L175 HydrophobicContact CG2-CD2 3.87Å; I158-L175 HydrophobicContact CG2-CD1 4.17Å; I158-L175 HydrophobicContact CG2-CD2 4.27Å; I171-L175 HydrophobicContact CG2-CD1 3.8Å; I171-L175 HydrophobicContact CG2-CG 4.21Å; I171-L175 WeakPolarHBondContact O-CB 3.08Å; I171-L175 WeakPolarHBondContact O-CG 3.23Å; I171-L175 PolarHBondContact O-N 2.91Å; H172-L175 PolarHBondContact O-N 3.44Å; L175-R177 VanDerWaalsContact C-N 3.3Å; L175-R177 PolarHBondContact O-N 2.91Å; L175-M178 HydrophobicContact CD2-CE 3.78Å; L175-M178 PolarHBondContact O-N 3.21Å; L175-K179 WeakPolarHBondContact O-CB 3.44Å; L175-K179 PolarHBondContact O-N 3.26Å; L175-T190 HydrophobicContact CD1-CG2 3.86Å; L175-T190 HydrophobicContact CD2-CG2 3.57Å; L175-T190 HydrophobicContact CG-CG2 4.4Å; L175-V209 HydrophobicContact CD1-CG1 4.39Å; L175-A210 HydrophobicContact CD1-CB 3.94Å; L175-A213 HydrophobicContact CB-CB 3.48Å; L175-A213 VanDerWaalsContact CB-CB 3.48Å; L175-A213 HydrophobicContact CD1-CB 4.28Å
176T97.1Very high96.3Very high22 Ų2253.3 Ų53.314%0.13528%0.276CS..Hα-helixtrans-59.8-43.2177.5-61.20000110.7P7 H172 M178 K179 L180P7-T176 HydrophobicContact CB-CG2 4.19Å; P7-T176 HydrophobicContact CG-CG2 4Å; H172-T176 PolarHBondContact CE1-OG1 2.74Å; H172-T176 WeakPolarHBondContact O-CB 3.47Å; H172-T176 PolarHBondContact O-N 2.84Å; H172-T176 PolarHBondContact O-OG1 2.93Å; T176-M178 PolarHBondContact O-N 3.32Å; T176-K179 PolarHBondContact O-N 2.93Å; T176-L180 VanDerWaalsContact O-CG 3.31Å; T176-L180 WeakPolarHBondContact O-CG 3.18Å; T176-L180 PolarHBondContact O-N 3.4Å
177R97.4Very high96.5Very high135 Ų13553.5 Ų53.551%0.50927%0.266SS..Hα-helixtrans-66.9-35.4178.4-73.3167.1-179.1-1449113.1L136 D173 E174 L175L136-R177 HydrophobicContact CD1-CB 4.45Å; D173-R177 WeakPolarHBondContact O-CD 3.5Å; D173-R177 WeakPolarHBondContact O-CG 3.42Å; D173-R177 PolarHBondContact O-N 3.24Å; D173-R177 VanDerWaalsContact O-N 3.14Å; E174-R177 PolarHBondContact O-N 2.78Å; L175-R177 VanDerWaalsContact C-N 3.3Å; L175-R177 PolarHBondContact O-N 2.91Å
178M98.1Very high96.7Very high0 Ų048.6 Ų48.60%025%0.245CC..Hα-helixtrans-69.5-43.5172.2-72.9-175.2-70.200111.5K139 V143 V156 E174 L175 T176 L180 K181 M188K139-M178 HydrophobicContact CB-SD 3.93Å; K139-M178 HydrophobicContact CD-SD 4.39Å; V143-M178 HydrophobicContact CG2-CB 4.17Å; V143-M178 HydrophobicContact CG2-CG 4.13Å; V143-M178 HydrophobicContact CG2-SD 4.27Å; V156-M178 HydrophobicContact CB-CE 4.2Å; V156-M178 HydrophobicContact CB-SD 4Å; V156-M178 HydrophobicContact CG1-CB 4.5Å; V156-M178 HydrophobicContact CG1-SD 3.98Å; V156-M178 HydrophobicContact CG2-CE 4.22Å; E174-M178 HydrophobicContact CB-CE 4.49Å; E174-M178 PolarHBondContact O-N 2.97Å; E174-M178 VanDerWaalsContact O-N 3.11Å; L175-M178 HydrophobicContact CD2-CE 3.78Å; L175-M178 PolarHBondContact O-N 3.21Å; T176-M178 PolarHBondContact O-N 3.32Å; M178-L180 VanDerWaalsContact C-N 3.26Å; M178-L180 PolarHBondContact O-N 3.01Å; M178-K181 WeakPolarHBondContact O-CB 3.02Å; M178-K181 PolarHBondContact O-N 3.01Å; M178-M188 HydrophobicContact CB-SD 4.26Å
179K97.4Very high96.8Very high37 Ų3747.7 Ų47.716%0.16124%0.241CC..Hα-helixtrans-60.5-34.9177.6-177.256.5-177.11760112.5L175 T176 K181 C182 M188 G214 D216L175-K179 WeakPolarHBondContact O-CB 3.44Å; L175-K179 PolarHBondContact O-N 3.26Å; T176-K179 PolarHBondContact O-N 2.93Å; K179-K181 PolarHBondContact O-N 2.97Å; K179-K181 VanDerWaalsContact O-N 3.12Å; K179-C182 HydrophobicContact CD-CB 4.33Å; K179-C182 PolarHBondContact O-N 2.98Å; K179-M188 HydrophobicContact CB-CE 3.71Å; K179-M188 HydrophobicContact CB-SD 3.83Å; K179-M188 HydrophobicContact CD-CB 3.87Å; K179-M188 HydrophobicContact CD-CE 4.14Å; K179-M188 HydrophobicContact CD-SD 4.25Å; K179-M188 HydrophobicContact CG-CE 4.28Å; K179-G214 WeakPolarHBondContact CD-O 3.48Å; K179-G214 VanDerWaalsContact CE-O 3.23Å; K179-G214 WeakPolarHBondContact CE-O 3.16Å; K179-D216 IonicContact NZ-OD1 3.15Å; K179-D216 PolarHBondContact NZ-OD1 3.33Å; K179-D216 IonicContact NZ-OD2 3.7Å; K179-D216 PolarHBondContact NZ-OD2 2.85Å
180L96.7Very high97Very high124 Ų12444.2 Ų44.265%0.64922%0.223SC*.THydrogen-bonded Turntrans-61.6-15.9174.6-74.3172.5000113.8T176 M178T176-L180 VanDerWaalsContact O-CG 3.31Å; T176-L180 WeakPolarHBondContact O-CG 3.18Å; T176-L180 PolarHBondContact O-N 3.4Å; M178-L180 VanDerWaalsContact C-N 3.26Å; M178-L180 PolarHBondContact O-N 3.01Å
181K97.7Very high97.1Very high79 Ų7941.5 Ų41.534%0.34321%0.206SC..THydrogen-bonded Turntrans-88.5-15173.3-60.6-56.4-168.8162.60113.4T140 V143 Q144 M178 K179 P183T140-K181 HydrophobicContact CG2-CD 4Å; T140-K181 HydrophobicContact CG2-CG 3.46Å; T140-K181 VanDerWaalsContact CG2-CG 3.46Å; V143-K181 HydrophobicContact CB-CB 4.25Å; V143-K181 HydrophobicContact CG1-CB 3.77Å; Q144-K181 HydrophobicContact CB-CB 4.48Å; Q144-K181 HydrophobicContact CB-CD 4.31Å; Q144-K181 HydrophobicContact CB-CG 4.42Å; M178-K181 WeakPolarHBondContact O-CB 3.02Å; M178-K181 PolarHBondContact O-N 3.01Å; K179-K181 PolarHBondContact O-N 2.97Å; K179-K181 VanDerWaalsContact O-N 3.12Å; K181-P183 WeakPolarHBondContact O-CD 3.42Å
182C97.3Very high97.1Very high12 Ų1241.4 Ų41.48%0.08121%0.206CC..SBendtrans-90.6114.2175.9-57.40000109.9V143 K179 V186V143-C182 VanDerWaalsContact CG1-SG 3.58Å; K179-C182 HydrophobicContact CD-CB 4.33Å; K179-C182 PolarHBondContact O-N 2.98Å; C182-V186 HydrophobicContact CB-CB 4.33Å; C182-V186 HydrophobicContact CB-CG1 4.27Å
183P95.4Very high97.1Very high37 Ų3740.8 Ų40.824%0.2420%0.203CC..  trans-64.2165.8171.429-35.8000110.9V147 K181 H185 V186V147-P183 HydrophobicContact CG1-CG 4.04Å; K181-P183 WeakPolarHBondContact O-CD 3.42Å; P183-H185 WeakPolarHBondContact CG-CE1 3.47Å; P183-H185 PolarHBondContact O-N 3.07Å; P183-V186 HydrophobicContact CG-CB 4.14Å; P183-V186 HydrophobicContact CG-CG2 3.74Å; P183-V186 PolarHBondContact O-N 3.44Å
184P91.6Very high97.1Very high110 Ų11036.7 Ų36.771%0.71418%0.181SC*.THydrogen-bonded Turntrans-57-25.7-172.8-28.535.8000116.1
185H93.2Very high96.9Very high149 Ų14936.7 Ų36.769%0.6919%0.187SC*.THydrogen-bonded Turntrans-86.1-11.2178.361.6-87.4000113.4P183P183-H185 WeakPolarHBondContact CG-CE1 3.47Å; P183-H185 PolarHBondContact O-N 3.07Å
186V97.3Very high96.6Very high3 Ų340 Ų402%0.01821%0.205CC..SBendtrans-100.2119.8176177.70000109.7V147 A151 D152 V154 C182 P183V147-V186 HydrophobicContact CG2-CG1 4.11Å; A151-V186 WeakPolarHBondContact O-CG2 3.33Å; D152-V186 VanDerWaalsContact O-CA 3.32Å; D152-V186 WeakPolarHBondContact O-CA 3.41Å; V154-V186 HydrophobicContact CG2-CG1 4.1Å; C182-V186 HydrophobicContact CB-CB 4.33Å; C182-V186 HydrophobicContact CB-CG1 4.27Å; P183-V186 HydrophobicContact CG-CB 4.14Å; P183-V186 HydrophobicContact CG-CG2 3.74Å; P183-V186 PolarHBondContact O-N 3.44Å
187R98.3Very high96.5Very high39 Ų3939.9 Ų39.915%0.14720%0.203CC..EExtended strand (participates in β ladder)trans-84.9132.7179.8-68.1-167.5-67.3-152.8-14.1111.5R121 D152 E153 V154 D216 D285R121-R187 VanDerWaalsContact CD-NH2 3.26Å; D152-R187 PolarHBondContact O-N 3.26Å; E153-R187 CarbonylContact C-O 3.49Å; E153-R187 WeakPolarHBondContact CA-O 3.5Å; E153-R187 HydrophobicContact CG-CB 4.3Å; E153-R187 IonicContact OE1-CZ 3.48Å; E153-R187 VanDerWaalsContact OE1-CZ 3.31Å; E153-R187 IonicContact OE1-NE 3.31Å; E153-R187 PolarHBondContact OE1-NE 2.7Å; E153-R187 IonicContact OE1-NH2 3.01Å; E153-R187 PolarHBondContact OE1-NH2 2.84Å; V154-R187 PolarHBondContact N-O 3.09Å; R187-D216 VanDerWaalsContact CA-OD2 3.3Å; R187-D216 WeakPolarHBondContact CA-OD2 3.44Å; R187-D216 HydrophobicContact CB-CB 4.05Å; R187-D216 HydrophobicContact CG-CB 4.16Å; R187-D285 IonicContact CZ-OD1 2.75Å; R187-D285 IonicContact NH1-OD1 3.71Å; R187-D285 PolarHBondContact NH1-OD1 3.21Å; R187-D285 IonicContact NH2-OD1 2.73Å
188M98.7Very high96.2Very high0 Ų038.8 Ų38.80%021%0.207CC..EExtended strand (participates in β ladder)trans-95.9127.3170.3-169.8-179.575.800109.7V154 V156 M178 K179 S215 D216 F217V154-M188 CarbonylContact O-C 3.57Å; V154-M188 WeakPolarHBondContact O-CA 3.21Å; V156-M188 HydrophobicContact CG1-CG 4.3Å; V156-M188 HydrophobicContact CG1-SD 4.4Å; V156-M188 HydrophobicContact CG2-CE 4.45Å; V156-M188 HydrophobicContact CG2-CG 3.87Å; V156-M188 HydrophobicContact CG2-SD 3.79Å; M178-M188 HydrophobicContact CB-SD 4.26Å; K179-M188 HydrophobicContact CB-CE 3.71Å; K179-M188 HydrophobicContact CB-SD 3.83Å; K179-M188 HydrophobicContact CD-CB 3.87Å; K179-M188 HydrophobicContact CD-CE 4.14Å; K179-M188 HydrophobicContact CD-SD 4.25Å; K179-M188 HydrophobicContact CG-CE 4.28Å; M188-S215 PolarHBondContact O-OG 3.43Å; M188-D216 PolarHBondContact N-OD2 2.76Å; M188-D216 PolarHBondContact O-N 2.81Å; M188-F217 PolarHBondContact O-N 3.1Å
189K98.9Very high96Very high0 Ų041 Ų410%022%0.223CC..EExtended strand (participates in β ladder)trans-108.4133.4168.8-38.5-162.7-165.664.70108.5D56 E153 V154 D155 V156 F217 K255D56-K189 IonicContact OD2-NZ 2.63Å; E153-K189 VanDerWaalsContact CB-NZ 3.25Å; E153-K189 WeakPolarHBondContact OE2-CE 3.45Å; E153-K189 IonicContact OE2-NZ 2.82Å; E153-K189 PolarHBondContact OE2-NZ 3.33Å; V154-K189 PolarHBondContact O-N 3.49Å; D155-K189 CarbonylContact C-O 3.44Å; D155-K189 VanDerWaalsContact CA-O 3.25Å; D155-K189 WeakPolarHBondContact CA-O 3.47Å; D155-K189 WeakPolarHBondContact OD1-CB 3.29Å; D155-K189 VanDerWaalsContact OD1-CD 3.23Å; D155-K189 WeakPolarHBondContact OD1-CD 3.26Å; D155-K189 VanDerWaalsContact OD1-CG 3.27Å; D155-K189 WeakPolarHBondContact OD1-CG 3.34Å; D155-K189 IonicContact OD1-NZ 2.89Å; D155-K189 PolarHBondContact OD1-NZ 3.34Å; V156-K189 PolarHBondContact N-O 2.88Å; K189-F217 WeakPolarHBondContact CA-O 3.17Å; K189-F217 HydrophobicContact CB-CB 3.74Å; K189-F217 HydrophobicContact CD-CB 3.86Å; K189-F217 HydrophobicContact CD-CD1 4.49Å; K189-F217 HydrophobicContact CD-CD2 4.46Å; K189-F217 HydrophobicContact CD-CG 4.05Å; K189-F217 HydrophobicContact CG-CB 3.7Å; K189-F217 HydrophobicContact CG-CG 4.26Å; K189-K255 HydrophobicContact CD-CD 3.75Å
190T98.9Very high95.9Very high0 Ų040 Ų400%022%0.22CC..EExtended strand (participates in β ladder)trans-103.5117179.2-61.50000110.1V156 I158 L175 L192 A210 S215 F217 K219V156-T190 CarbonylContact O-C 3.55Å; V156-T190 WeakPolarHBondContact O-CA 3.23Å; I158-T190 HydrophobicContact CG2-CG2 3.5Å; I158-T190 VanDerWaalsContact CG2-CG2 3.5Å; L175-T190 HydrophobicContact CD1-CG2 3.86Å; L175-T190 HydrophobicContact CD2-CG2 3.57Å; L175-T190 HydrophobicContact CG-CG2 4.4Å; T190-L192 HydrophobicContact CG2-CD2 4.04Å; T190-A210 HydrophobicContact CG2-CB 3.76Å; T190-S215 WeakPolarHBondContact CB-OG 3.31Å; T190-S215 PolarHBondContact N-OG 2.82Å; T190-S215 VanDerWaalsContact N-OG 3.13Å; T190-S215 WeakPolarHBondContact OG1-CB 3.4Å; T190-S215 PolarHBondContact OG1-OG 2.79Å; T190-F217 PolarHBondContact N-O 3.39Å; T190-K219 PolarHBondContact O-N 3.05Å
191I98.8Very high95.8Very high0 Ų035.3 Ų35.30%020%0.199CC..EExtended strand (participates in β ladder)trans-77.6115.9171.8-58.4162.4000108.7F129 D155 V156 V157 I158 K219 S221 T222F129-I191 HydrophobicContact CD2-CD1 4.23Å; F129-I191 HydrophobicContact CE2-CD1 4.32Å; D155-I191 HydrophobicContact CB-CD1 3.92Å; D155-I191 HydrophobicContact CB-CG1 4.32Å; V156-I191 PolarHBondContact O-N 3.24Å; V157-I191 HydrophobicContact CB-CB 4.49Å; V157-I191 HydrophobicContact CG1-CB 4.4Å; V157-I191 HydrophobicContact CG1-CG2 4.4Å; V157-I191 HydrophobicContact CG2-CB 4.24Å; V157-I191 HydrophobicContact CG2-CD1 3.77Å; I158-I191 PolarHBondContact N-O 3.49Å; I158-I191 VanDerWaalsContact N-O 3.08Å; I191-K219 WeakPolarHBondContact CA-O 3.26Å; I191-K219 HydrophobicContact CD1-CD 4.18Å; I191-K219 HydrophobicContact CG1-CB 4.1Å; I191-K219 HydrophobicContact CG1-CD 3.49Å; I191-K219 VanDerWaalsContact CG1-CD 3.49Å; I191-K219 HydrophobicContact CG1-CG 3.85Å; I191-S221 VanDerWaalsContact CG2-C 3.42Å; I191-T222 HydrophobicContact CD1-CG2 4.28Å; I191-T222 HydrophobicContact CG2-CG2 3.69Å
192L98.1Very high95.6Very high0 Ų032.5 Ų32.50%019%0.188CC..  trans-82.7-18.3-179.1-54.4-176.3000112.8I158 T190 V194 A206 S207 A210 I218 K219 M237I158-L192 WeakPolarHBondContact CD1-O 3.37Å; I158-L192 WeakPolarHBondContact CG1-O 3.26Å; I158-L192 HydrophobicContact CG2-CD2 4.45Å; T190-L192 HydrophobicContact CG2-CD2 4.04Å; L192-V194 VanDerWaalsContact C-N 3.34Å; L192-V194 HydrophobicContact CB-CG1 3.9Å; L192-V194 HydrophobicContact CD1-CG1 4.39Å; L192-V194 PolarHBondContact O-N 2.75Å; L192-A206 HydrophobicContact CD1-CB 4.34Å; L192-A206 HydrophobicContact CD2-CB 4.09Å; L192-S207 VanDerWaalsContact CD1-OG 3.24Å; L192-S207 WeakPolarHBondContact CD1-OG 3.33Å; L192-A210 HydrophobicContact CD2-CB 4.08Å; L192-I218 HydrophobicContact CD1-CB 4.46Å; L192-K219 PolarHBondContact N-O 3.21Å; L192-M237 HydrophobicContact CD1-CE 3.81Å; L192-M237 HydrophobicContact CD1-CG 4.22Å; L192-M237 HydrophobicContact CD1-SD 4.11Å
193S96.2Very high95.6Very high0 Ų032 Ų320%019%0.185CC..  trans5252.7-171.7-70.20000111.5R160 G195 D196 T220 E225R160-S193 PolarHBondContact NE-OG 3.3Å; R160-S193 VanDerWaalsContact NE-OG 3.13Å; S193-G195 PolarHBondContact O-N 3.26Å; S193-D196 PolarHBondContact O-N 3.15Å; S193-T220 WeakPolarHBondContact CA-O 3.5Å; S193-T220 PolarHBondContact N-O 3.02Å; S193-E225 VanDerWaalsContact CB-OE1 3.26Å; S193-E225 WeakPolarHBondContact CB-OE1 3.4Å; S193-E225 PolarHBondContact OG-OE1 3.18Å
194V96.3Very high95.7Very high1 Ų130.6 Ų30.61%0.00618%0.175CC..G310 helixtrans-53.2-31.7-170.5-66.20000114.7L192 D196 L197 V203 T220 H233 M237L192-V194 VanDerWaalsContact C-N 3.34Å; L192-V194 HydrophobicContact CB-CG1 3.9Å; L192-V194 HydrophobicContact CD1-CG1 4.39Å; L192-V194 PolarHBondContact O-N 2.75Å; V194-D196 PolarHBondContact O-N 2.62Å; V194-L197 PolarHBondContact O-N 2.84Å; V194-L197 VanDerWaalsContact O-N 3.14Å; V194-V203 HydrophobicContact CB-CG2 4.21Å; V194-V203 HydrophobicContact CG1-CG1 3.86Å; V194-V203 HydrophobicContact CG1-CG2 4.25Å; V194-T220 HydrophobicContact CG2-CG2 4.44Å; V194-T220 PolarHBondContact N-O 2.83Å; V194-H233 HydrophobicContact CB-CB 3.91Å; V194-H233 HydrophobicContact CG1-CB 4.31Å; V194-H233 HydrophobicContact CG2-CB 3.6Å; V194-H233 VanDerWaalsContact CG2-CG 3.43Å; V194-M237 HydrophobicContact CG1-SD 3.85Å
195G92.8Very high96Very high22 Ų2227.5 Ų27.523%0.22715%0.149CC..G310 helixtrans-66.7-16.3178.300000114.6S193S193-G195 PolarHBondContact O-N 3.26Å
196D93.2Very high96.2Very high70 Ų7020.6 Ų20.637%0.37412%0.117SC..G310 helixtrans-1033.3176.8-65-20.3000112.6R160 S193 V194R160-D196 WeakPolarHBondContact CD-OD2 3.41Å; R160-D196 IonicContact CZ-OD2 3.24Å; R160-D196 IonicContact NE-OD2 3.92Å; R160-D196 IonicContact NH1-OD2 3.17Å; R160-D196 PolarHBondContact NH1-OD2 2.77Å; S193-D196 PolarHBondContact O-N 3.15Å; V194-D196 PolarHBondContact O-N 2.62Å
197L94.4Very high96.2Very high19 Ų1920.4 Ų20.410%0.09912%0.117CC..SBendtrans-87.4145.3177-60.1-175.7000110.5A163 V194 S199 D202 V203 A206A163-L197 HydrophobicContact CB-CD2 3.55Å; V194-L197 PolarHBondContact O-N 2.84Å; V194-L197 VanDerWaalsContact O-N 3.14Å; L197-S199 VanDerWaalsContact C-N 3.3Å; L197-S199 PolarHBondContact O-N 3.02Å; L197-D202 HydrophobicContact CB-CB 4.36Å; L197-V203 HydrophobicContact CB-CG2 4.18Å; L197-V203 HydrophobicContact CD1-CB 4.4Å; L197-V203 HydrophobicContact CD1-CG2 3.96Å; L197-A206 HydrophobicContact CD1-CB 3.86Å
198N90.7Very high96.2Very high112 Ų11218.7 Ų18.760%0.59911%0.11SC*.SBendtrans-72.6-20.9-169.2-57.6-50.6000114.2A164 D202A164-N198 PolarHBondContact O-ND2 2.9Å; N198-D202 WeakPolarHBondContact CB-OD2 3.47Å
199S93.6Very high96.1Very high48 Ų4818.7 Ų18.734%0.33611%0.11SC..  trans-163.1160.7-172.863.10000112.3L197 A201 D202 V203L197-S199 VanDerWaalsContact C-N 3.3Å; L197-S199 PolarHBondContact O-N 3.02Å; S199-A201 PolarHBondContact O-N 3.31Å; S199-D202 PolarHBondContact O-N 2.6Å; S199-D202 PolarHBondContact OG-N 2.88Å; S199-D202 VanDerWaalsContact OG-N 3.15Å; S199-V203 PolarHBondContact O-N 2.85Å
200S94.9Very high96.1Very high14 Ų1418.7 Ų18.710%0.09811%0.11CC..Hα-helixtrans-56.5-33.2170.5-55.60000112.4E22 V203 Y204 P236E22-S200 WeakPolarHBondContact OE1-CB 3.23Å; E22-S200 PolarHBondContact OE1-OG 2.99Å; S200-V203 WeakPolarHBondContact O-CB 3.49Å; S200-V203 PolarHBondContact O-N 3.28Å; S200-Y204 PolarHBondContact O-N 2.93Å; S200-P236 WeakPolarHBondContact O-CB 3.42Å
201A94.8Very high96.1Very high26 Ų2618.7 Ų18.722%0.21511%0.11CC..Hα-helixtrans-65.2-37.7173.300000112.5P17 S199 Y204 R205P17-A201 HydrophobicContact CG-CB 4.18Å; S199-A201 PolarHBondContact O-N 3.31Å; A201-Y204 PolarHBondContact O-N 2.61Å; A201-R205 WeakPolarHBondContact O-CG 3.4Å; A201-R205 PolarHBondContact O-N 3.47Å
202D95.4Very high96Very high21 Ų2118.7 Ų18.711%0.11211%0.11CC..Hα-helixtrans-73-32.7175.2-71.7-17.5000112.2W168 L197 N198 S199 Y204 R205 A206W168-D202 HydrophobicContact CH2-CB 4.09Å; W168-D202 HydrophobicContact CZ2-CB 4.1Å; L197-D202 HydrophobicContact CB-CB 4.36Å; N198-D202 WeakPolarHBondContact CB-OD2 3.47Å; S199-D202 PolarHBondContact O-N 2.6Å; S199-D202 PolarHBondContact OG-N 2.88Å; S199-D202 VanDerWaalsContact OG-N 3.15Å; D202-Y204 VanDerWaalsContact C-N 3.34Å; D202-R205 PolarHBondContact O-N 3.32Å; D202-R205 IonicContact OD1-CZ 3.26Å; D202-R205 IonicContact OD1-NH1 3.45Å; D202-R205 PolarHBondContact OD1-NH1 3.41Å; D202-A206 VanDerWaalsContact O-CB 3.27Å; D202-A206 WeakPolarHBondContact O-CB 3.25Å; D202-A206 PolarHBondContact O-N 3.01Å
203V96.7Very high95.9Very high2 Ų218.7 Ų18.71%0.01211%0.11CC..Hα-helixtrans-60.4-44.8169.9177.10000110.6V194 L197 S199 S200 S207 P236 M237V194-V203 HydrophobicContact CB-CG2 4.21Å; V194-V203 HydrophobicContact CG1-CG1 3.86Å; V194-V203 HydrophobicContact CG1-CG2 4.25Å; L197-V203 HydrophobicContact CB-CG2 4.18Å; L197-V203 HydrophobicContact CD1-CB 4.4Å; L197-V203 HydrophobicContact CD1-CG2 3.96Å; S199-V203 PolarHBondContact O-N 2.85Å; S200-V203 WeakPolarHBondContact O-CB 3.49Å; S200-V203 PolarHBondContact O-N 3.28Å; V203-S207 WeakPolarHBondContact O-CB 3.23Å; V203-S207 PolarHBondContact O-N 3.09Å; V203-S207 PolarHBondContact O-OG 2.78Å; V203-P236 HydrophobicContact CB-CB 4.35Å; V203-P236 HydrophobicContact CB-CG 4.01Å; V203-P236 HydrophobicContact CG1-CB 4.23Å; V203-P236 HydrophobicContact CG1-CG 3.75Å; V203-M237 HydrophobicContact CG1-CG 3.58Å; V203-M237 HydrophobicContact CG1-SD 4.37Å
204Y97.2Very high95.9Very high7 Ų719.2 Ų19.23%0.02712%0.116CC..Hα-helixtrans-60.7-49.2174.2-180-80.8000111.7P17 F20 S200 A201 D202 A206 S207 M208 L239 A240 N243P17-Y204 VanDerWaalsContact CA-CE1 3.43Å; P17-Y204 HydrophobicContact CB-CD1 3.67Å; P17-Y204 HydrophobicContact CB-CE1 4.03Å; P17-Y204 HydrophobicContact CB-CG 3.95Å; F20-Y204 AromaticContact CE1-CD2 3.99Å; F20-Y204 HydrophobicContact CE1-CD2 3.99Å; F20-Y204 HydrophobicContact CE1-CG 4.08Å; S200-Y204 PolarHBondContact O-N 2.93Å; A201-Y204 PolarHBondContact O-N 2.61Å; D202-Y204 VanDerWaalsContact C-N 3.34Å; Y204-A206 PolarHBondContact O-N 3.44Å; Y204-S207 WeakPolarHBondContact O-CB 3.32Å; Y204-S207 PolarHBondContact O-N 3.39Å; Y204-M208 HydrophobicContact CD1-CG 3.98Å; Y204-M208 HydrophobicContact CE1-CG 3.47Å; Y204-M208 VanDerWaalsContact CE1-CG 3.47Å; Y204-M208 HydrophobicContact CE1-SD 4.41Å; Y204-M208 PolarHBondContact O-N 3.44Å; Y204-L239 HydrophobicContact CD2-CB 4.44Å; Y204-L239 HydrophobicContact CD2-CD2 4.38Å; Y204-L239 HydrophobicContact CD2-CG 4.24Å; Y204-L239 HydrophobicContact CE2-CD2 4.43Å; Y204-L239 HydrophobicContact CE2-CG 4Å; Y204-A240 HydrophobicContact CD2-CB 3.68Å; Y204-A240 VanDerWaalsContact CE2-CA 3.42Å; Y204-A240 HydrophobicContact CE2-CB 3.76Å; Y204-A240 HydrophobicContact CG-CB 4.26Å; Y204-N243 WeakPolarHBondContact CE2-ND2 3.42Å; Y204-N243 PolarHBondContact OH-ND2 3.36Å
205R97Very high96Very high45 Ų4519.2 Ų19.217%0.1712%0.115CC..Hα-helixtrans-58.3-48.9178.6-75.1177.7-170102.49111.6V15 E16 W168 A201 D202 S207 M208 V209V15-R205 WeakPolarHBondContact O-CG 3.36Å; E16-R205 IonicContact OE1-NE 2.72Å; E16-R205 IonicContact OE2-CZ 3.96Å; E16-R205 IonicContact OE2-NE 3.65Å; E16-R205 PolarHBondContact OE2-NE 3.21Å; E16-R205 IonicContact OE2-NH2 3.43Å; E16-R205 PolarHBondContact OE2-NH2 3.11Å; W168-R205 HydrophobicContact CD2-CB 4.26Å; W168-R205 HydrophobicContact CH2-CB 4.34Å; W168-R205 HydrophobicContact CZ2-CB 3.94Å; A201-R205 WeakPolarHBondContact O-CG 3.4Å; A201-R205 PolarHBondContact O-N 3.47Å; D202-R205 PolarHBondContact O-N 3.32Å; D202-R205 IonicContact OD1-CZ 3.26Å; D202-R205 IonicContact OD1-NH1 3.45Å; D202-R205 PolarHBondContact OD1-NH1 3.41Å; R205-S207 VanDerWaalsContact C-N 3.26Å; R205-S207 PolarHBondContact O-N 2.85Å; R205-M208 PolarHBondContact O-N 3.47Å; R205-V209 WeakPolarHBondContact O-CB 3.29Å; R205-V209 WeakPolarHBondContact O-CG2 3.24Å; R205-V209 PolarHBondContact O-N 3.44Å
206A97.8Very high96.2Very high3 Ų320 Ų203%0.02511%0.114CC..Hα-helixtrans-59.7-39.1178.800000111.7I158 W168 L192 L197 D202 Y204 V209 A210I158-A206 HydrophobicContact CD1-CB 4.44Å; W168-A206 HydrophobicContact CH2-CB 4.37Å; W168-A206 HydrophobicContact CZ3-CB 3.89Å; L192-A206 HydrophobicContact CD1-CB 4.34Å; L192-A206 HydrophobicContact CD2-CB 4.09Å; L197-A206 HydrophobicContact CD1-CB 3.86Å; D202-A206 VanDerWaalsContact O-CB 3.27Å; D202-A206 WeakPolarHBondContact O-CB 3.25Å; D202-A206 PolarHBondContact O-N 3.01Å; Y204-A206 PolarHBondContact O-N 3.44Å; A206-V209 PolarHBondContact O-N 2.99Å; A206-A210 WeakPolarHBondContact O-CB 3.46Å; A206-A210 PolarHBondContact O-N 2.92Å
207S98.2Very high96.5Very high0 Ų016.7 Ų16.70%010%0.097CC..Hα-helixtrans-61.2-51.5174.5-58.20000111.6L192 V203 Y204 R205 V209 A210 M211 M237L192-S207 VanDerWaalsContact CD1-OG 3.24Å; L192-S207 WeakPolarHBondContact CD1-OG 3.33Å; V203-S207 WeakPolarHBondContact O-CB 3.23Å; V203-S207 PolarHBondContact O-N 3.09Å; V203-S207 PolarHBondContact O-OG 2.78Å; Y204-S207 WeakPolarHBondContact O-CB 3.32Å; Y204-S207 PolarHBondContact O-N 3.39Å; R205-S207 VanDerWaalsContact C-N 3.26Å; R205-S207 PolarHBondContact O-N 2.85Å; S207-V209 VanDerWaalsContact C-N 3.35Å; S207-V209 PolarHBondContact O-N 3.49Å; S207-A210 PolarHBondContact O-N 2.83Å; S207-M211 WeakPolarHBondContact O-CG 3.34Å; S207-M211 PolarHBondContact O-N 2.9Å; S207-M237 WeakPolarHBondContact OG-CG 3.45Å
208M97.7Very high96.7Very high3 Ų315.8 Ų15.82%0.0159%0.092CC..Hα-helixtrans-61-42.9178.4-69.9-62.5-73.100112V14 V15 Y204 R205 A210 M211 L212 A240 F244V14-M208 HydrophobicContact CG1-CE 3.84Å; V14-M208 VanDerWaalsContact O-CE 3.29Å; V14-M208 WeakPolarHBondContact O-CE 3.23Å; V15-M208 HydrophobicContact CB-CB 4.14Å; V15-M208 HydrophobicContact CG1-CB 3.87Å; Y204-M208 HydrophobicContact CD1-CG 3.98Å; Y204-M208 HydrophobicContact CE1-CG 3.47Å; Y204-M208 VanDerWaalsContact CE1-CG 3.47Å; Y204-M208 HydrophobicContact CE1-SD 4.41Å; Y204-M208 PolarHBondContact O-N 3.44Å; R205-M208 PolarHBondContact O-N 3.47Å; M208-A210 PolarHBondContact O-N 3.43Å; M208-M211 PolarHBondContact O-N 2.95Å; M208-M211 HydrophobicContact SD-CE 3.72Å; M208-L212 WeakPolarHBondContact O-CB 3.37Å; M208-L212 VanDerWaalsContact O-CG 3.27Å; M208-L212 WeakPolarHBondContact O-CG 3.37Å; M208-L212 PolarHBondContact O-N 3.41Å; M208-A240 HydrophobicContact CG-CB 4.15Å; M208-A240 HydrophobicContact SD-CB 4.09Å; M208-F244 HydrophobicContact CE-CB 4.42Å; M208-F244 HydrophobicContact CE-CD2 4.23Å; M208-F244 HydrophobicContact SD-CB 4.03Å; M208-F244 HydrophobicContact SD-CD2 4.38Å
209V97.7Very high97.1Very high0 Ų010.7 Ų10.70%07%0.065CC..Hα-helixtrans-56.6-49.6175.7169.20000111F10 V15 W168 I171 H172 L175 R205 A206 S207 M211 L212 A213F10-V209 HydrophobicContact CE2-CG2 4Å; V15-V209 HydrophobicContact CG1-CG2 3.93Å; W168-V209 HydrophobicContact CB-CG2 3.74Å; W168-V209 HydrophobicContact CD2-CG2 4.39Å; W168-V209 HydrophobicContact CE3-CG2 4.15Å; W168-V209 HydrophobicContact CG-CG2 4.26Å; I171-V209 HydrophobicContact CB-CG1 4.13Å; I171-V209 HydrophobicContact CG2-CG1 3.75Å; H172-V209 HydrophobicContact CB-CG1 3.98Å; L175-V209 HydrophobicContact CD1-CG1 4.39Å; R205-V209 WeakPolarHBondContact O-CB 3.29Å; R205-V209 WeakPolarHBondContact O-CG2 3.24Å; R205-V209 PolarHBondContact O-N 3.44Å; A206-V209 PolarHBondContact O-N 2.99Å; S207-V209 VanDerWaalsContact C-N 3.35Å; S207-V209 PolarHBondContact O-N 3.49Å; V209-M211 VanDerWaalsContact C-N 3.33Å; V209-M211 PolarHBondContact O-N 3.3Å; V209-L212 PolarHBondContact O-N 2.93Å; V209-A213 WeakPolarHBondContact O-CB 3.44Å; V209-A213 PolarHBondContact O-N 3.08Å
210A98.2Very high97.3Very high0 Ų08.4 Ų8.40%05%0.049CC..Hα-helixtrans-63.5-39.7-179.500000112.5L175 T190 L192 A206 S207 M208 A213 G214 S215 I218L175-A210 HydrophobicContact CD1-CB 3.94Å; T190-A210 HydrophobicContact CG2-CB 3.76Å; L192-A210 HydrophobicContact CD2-CB 4.08Å; A206-A210 WeakPolarHBondContact O-CB 3.46Å; A206-A210 PolarHBondContact O-N 2.92Å; S207-A210 PolarHBondContact O-N 2.83Å; M208-A210 PolarHBondContact O-N 3.43Å; A210-A213 PolarHBondContact O-N 3.05Å; A210-G214 PolarHBondContact O-N 2.71Å; A210-S215 WeakPolarHBondContact O-CB 3.4Å; A210-S215 PolarHBondContact O-N 2.91Å; A210-I218 HydrophobicContact CB-CG2 3.89Å
211M97.9Very high97.5Very high0 Ų07.8 Ų7.80%04%0.044CC..Hα-helixtrans-69.7-37.6177.6-67.9-169.9-72.200113S207 M208 V209 G214 I218 A240 I241 F244 R250 V252S207-M211 WeakPolarHBondContact O-CG 3.34Å; S207-M211 PolarHBondContact O-N 2.9Å; M208-M211 PolarHBondContact O-N 2.95Å; M208-M211 HydrophobicContact SD-CE 3.72Å; V209-M211 VanDerWaalsContact C-N 3.33Å; V209-M211 PolarHBondContact O-N 3.3Å; M211-G214 PolarHBondContact O-N 3.47Å; M211-I218 HydrophobicContact CG-CG2 3.89Å; M211-A240 HydrophobicContact CE-CB 3.86Å; M211-A240 WeakPolarHBondContact CE-O 3.17Å; M211-I241 HydrophobicContact CE-CG1 4.45Å; M211-I241 HydrophobicContact SD-CG1 3.92Å; M211-F244 HydrophobicContact CB-CD1 4.3Å; M211-F244 HydrophobicContact CB-CD2 3.62Å; M211-F244 HydrophobicContact CB-CE1 4.19Å; M211-F244 HydrophobicContact CB-CE2 3.52Å; M211-F244 HydrophobicContact CB-CG 4.03Å; M211-F244 HydrophobicContact CB-CZ 3.82Å; M211-F244 HydrophobicContact CE-CB 3.64Å; M211-F244 HydrophobicContact CE-CD2 4.19Å; M211-F244 HydrophobicContact CE-CG 3.96Å; M211-F244 HydrophobicContact SD-CB 3.9Å; M211-F244 HydrophobicContact SD-CD1 4.01Å; M211-F244 HydrophobicContact SD-CD2 4.31Å; M211-F244 HydrophobicContact SD-CG 3.82Å; M211-R250 PolarHBondContact O-NH2 2.8Å; M211-V252 HydrophobicContact CB-CG2 4.32Å; M211-V252 HydrophobicContact CG-CB 4.13Å; M211-V252 HydrophobicContact CG-CG1 3.78Å; M211-V252 HydrophobicContact CG-CG2 3.9Å; M211-V252 HydrophobicContact SD-CB 3.75Å; M211-V252 HydrophobicContact SD-CG1 3.87Å; M211-V252 HydrophobicContact SD-CG2 3.84Å
212L96.9Very high97.5Very high0 Ų06.9 Ų6.90%04%0.036CC..Hα-helixtrans-65-40.4173.9-72.8167.4000111.5L8 F10 V14 V15 M208 V209 G214 F244 F248L8-L212 HydrophobicContact CB-CD2 3.84Å; L8-L212 HydrophobicContact CD1-CD2 4.2Å; L8-L212 PolarHBondContact N-O 3.35Å; F10-L212 HydrophobicContact CD2-CD1 4.3Å; V14-L212 HydrophobicContact CB-CD1 4.33Å; V14-L212 HydrophobicContact CG1-CD1 3.99Å; V14-L212 HydrophobicContact CG1-CD2 4.24Å; V15-L212 HydrophobicContact CG1-CD1 3.77Å; M208-L212 WeakPolarHBondContact O-CB 3.37Å; M208-L212 VanDerWaalsContact O-CG 3.27Å; M208-L212 WeakPolarHBondContact O-CG 3.37Å; M208-L212 PolarHBondContact O-N 3.41Å; V209-L212 PolarHBondContact O-N 2.93Å; L212-G214 PolarHBondContact O-N 3.29Å; L212-F244 HydrophobicContact CD2-CE2 4.18Å; L212-F244 HydrophobicContact CG-CE2 4.36Å; L212-F248 HydrophobicContact CD2-CE2 4.06Å; L212-F248 HydrophobicContact CD2-CZ 3.9Å
213A96.6Very high97.4Very high0 Ų07.7 Ų7.70%05%0.049CC..THydrogen-bonded Turntrans-68-3.3175.600000114.2L175 V209 A210L175-A213 HydrophobicContact CB-CB 3.48Å; L175-A213 VanDerWaalsContact CB-CB 3.48Å; L175-A213 HydrophobicContact CD1-CB 4.28Å; V209-A213 WeakPolarHBondContact O-CB 3.44Å; V209-A213 PolarHBondContact O-N 3.08Å; A210-A213 PolarHBondContact O-N 3.05Å
214G95.9Very high97.3Very high11 Ų1112.5 Ų12.511%0.1137%0.07CC..THydrogen-bonded Turntrans94.714.8173.900000115.3K179 A210 M211 L212K179-G214 WeakPolarHBondContact CD-O 3.48Å; K179-G214 VanDerWaalsContact CE-O 3.23Å; K179-G214 WeakPolarHBondContact CE-O 3.16Å; A210-G214 PolarHBondContact O-N 2.71Å; M211-G214 PolarHBondContact O-N 3.47Å; L212-G214 PolarHBondContact O-N 3.29Å
215S98Very high96.8Very high0 Ų013 Ų130%07%0.073CC..  trans-59138.9173.2-156.70000111M188 T190 A210 F217 R250M188-S215 PolarHBondContact O-OG 3.43Å; T190-S215 WeakPolarHBondContact CB-OG 3.31Å; T190-S215 PolarHBondContact N-OG 2.82Å; T190-S215 VanDerWaalsContact N-OG 3.13Å; T190-S215 WeakPolarHBondContact OG1-CB 3.4Å; T190-S215 PolarHBondContact OG1-OG 2.79Å; A210-S215 WeakPolarHBondContact O-CB 3.4Å; A210-S215 PolarHBondContact O-N 2.91Å; S215-F217 PolarHBondContact OG-O 3.25Å; S215-R250 PolarHBondContact O-NH1 3.2Å; S215-R250 PolarHBondContact O-NH2 3.21Å
216D98.4Very high96.2Very high39 Ų3920.5 Ų20.521%0.20911%0.109CC..SBendtrans-87.5-25.5178.5-51.8-69.4000111.2K179 R187 M188 V252 G253K179-D216 IonicContact NZ-OD1 3.15Å; K179-D216 PolarHBondContact NZ-OD1 3.33Å; K179-D216 IonicContact NZ-OD2 3.7Å; K179-D216 PolarHBondContact NZ-OD2 2.85Å; R187-D216 VanDerWaalsContact CA-OD2 3.3Å; R187-D216 WeakPolarHBondContact CA-OD2 3.44Å; R187-D216 HydrophobicContact CB-CB 4.05Å; R187-D216 HydrophobicContact CG-CB 4.16Å; M188-D216 PolarHBondContact N-OD2 2.76Å; M188-D216 PolarHBondContact O-N 2.81Å; D216-V252 WeakPolarHBondContact O-CG1 3.4Å; D216-G253 PolarHBondContact O-N 2.95Å
217F98.9Very high95.7Very high1 Ų122.6 Ų22.60%0.00413%0.126CC..EExtended strand (participates in β ladder)trans-133.5151.3170-86.4-107.3000111.2M188 K189 T190 S215 G253 K255 D285 R288M188-F217 PolarHBondContact O-N 3.1Å; K189-F217 WeakPolarHBondContact CA-O 3.17Å; K189-F217 HydrophobicContact CB-CB 3.74Å; K189-F217 HydrophobicContact CD-CB 3.86Å; K189-F217 HydrophobicContact CD-CD1 4.49Å; K189-F217 HydrophobicContact CD-CD2 4.46Å; K189-F217 HydrophobicContact CD-CG 4.05Å; K189-F217 HydrophobicContact CG-CB 3.7Å; K189-F217 HydrophobicContact CG-CG 4.26Å; T190-F217 PolarHBondContact N-O 3.39Å; S215-F217 PolarHBondContact OG-O 3.25Å; F217-G253 CarbonylContact C-O 3.38Å; F217-G253 WeakPolarHBondContact CA-O 3.49Å; F217-G253 VanDerWaalsContact CD1-CA 3.48Å; F217-K255 HydrophobicContact CD1-CB 4.13Å; F217-D285 WeakPolarHBondContact CE2-O 3.39Å; F217-D285 WeakPolarHBondContact CZ-O 3.39Å; F217-R288 HydrophobicContact CD1-CG 4.39Å; F217-R288 HydrophobicContact CE1-CB 4.22Å; F217-R288 HydrophobicContact CE1-CG 3.64Å; F217-R288 HydrophobicContact CZ-CG 3.95Å
218I98.8Very high95.3Very high0 Ų023.8 Ų23.80%013%0.133CC..EExtended strand (participates in β ladder)trans-107133.5160.656.3172000109.5L192 A210 M211 M237 I241 G253 K255L192-I218 HydrophobicContact CD1-CB 4.46Å; A210-I218 HydrophobicContact CB-CG2 3.89Å; M211-I218 HydrophobicContact CG-CG2 3.89Å; I218-M237 HydrophobicContact CB-CE 3.85Å; I218-M237 HydrophobicContact CD1-CB 3.94Å; I218-M237 HydrophobicContact CD1-CE 3.73Å; I218-M237 HydrophobicContact CD1-CG 4.31Å; I218-M237 HydrophobicContact CG1-CE 3.64Å; I218-I241 HydrophobicContact CD1-CD1 3.75Å; I218-I241 HydrophobicContact CD1-CG1 3.68Å; I218-I241 HydrophobicContact CG1-CD1 3.87Å; I218-I241 HydrophobicContact CG1-CG1 4.17Å; I218-G253 PolarHBondContact N-O 3.43Å; I218-K255 PolarHBondContact O-N 2.96Å
219K98.8Very high94.9Very high5 Ų524.3 Ų24.32%0.02214%0.138CC..EExtended strand (participates in β ladder)trans-120135.8-174.1173.8170.2162.9-174.70110.2D155 T190 I191 L192 S221 K255 A257D155-K219 WeakPolarHBondContact OD2-CD 3.43Å; D155-K219 IonicContact OD2-NZ 3.22Å; D155-K219 PolarHBondContact OD2-NZ 3.09Å; T190-K219 PolarHBondContact O-N 3.05Å; I191-K219 WeakPolarHBondContact CA-O 3.26Å; I191-K219 HydrophobicContact CD1-CD 4.18Å; I191-K219 HydrophobicContact CG1-CB 4.1Å; I191-K219 HydrophobicContact CG1-CD 3.49Å; I191-K219 VanDerWaalsContact CG1-CD 3.49Å; I191-K219 HydrophobicContact CG1-CG 3.85Å; L192-K219 PolarHBondContact N-O 3.21Å; K219-S221 WeakPolarHBondContact CE-O 3.27Å; K219-K255 VanDerWaalsContact CA-O 3.24Å; K219-K255 WeakPolarHBondContact CA-O 3.45Å; K219-K255 HydrophobicContact CB-CB 4.02Å; K219-K255 HydrophobicContact CB-CG 4.38Å; K219-K255 HydrophobicContact CD-CD 3.79Å; K219-K255 HydrophobicContact CD-CG 4.11Å; K219-K255 HydrophobicContact CG-CB 4.23Å; K219-K255 HydrophobicContact CG-CD 4.27Å; K219-K255 HydrophobicContact CG-CG 4.06Å; K219-A257 HydrophobicContact CD-CB 4.22Å; K219-A257 HydrophobicContact CG-CB 4.08Å
220T98.4Very high94.7Very high0 Ų027 Ų270%015%0.154CC..  trans-62.4-64.1-175.853.90000112.2S193 V194 A229 M237 F254 K255 A257S193-T220 WeakPolarHBondContact CA-O 3.5Å; S193-T220 PolarHBondContact N-O 3.02Å; V194-T220 HydrophobicContact CG2-CG2 4.44Å; V194-T220 PolarHBondContact N-O 2.83Å; T220-A229 HydrophobicContact CG2-CB 4.15Å; T220-A229 WeakPolarHBondContact OG1-CB 3.45Å; T220-M237 HydrophobicContact CG2-CE 4.16Å; T220-M237 HydrophobicContact CG2-SD 3.52Å; T220-M237 VanDerWaalsContact CG2-SD 3.52Å; T220-F254 HydrophobicContact CG2-CE2 4.18Å; T220-F254 HydrophobicContact CG2-CZ 4.15Å; T220-K255 PolarHBondContact N-O 2.77Å; T220-A257 PolarHBondContact OG1-N 2.96Å; T220-A257 PolarHBondContact OG1-O 2.85Å
221S97.5Very high94.5Very high0 Ų027 Ų270%015%0.154CC..  trans-140.2163.6-166.2-52.10000112.7I191 K219 G223 N228 A257I191-S221 VanDerWaalsContact CG2-C 3.42Å; K219-S221 WeakPolarHBondContact CE-O 3.27Å; S221-G223 VanDerWaalsContact C-N 3.31Å; S221-N228 WeakPolarHBondContact OG-CA 3.45Å; S221-A257 WeakPolarHBondContact CB-O 3.35Å
222T96.2Very high94.4Very high8 Ų830.9 Ų30.95%0.04917%0.169CC..  trans-76.1-20.7174.468.40000112.7F129 P130 V157 I191 K224 E225F129-T222 HydrophobicContact CD2-CG2 4.1Å; F129-T222 VanDerWaalsContact CE2-CB 3.48Å; F129-T222 HydrophobicContact CE2-CG2 3.82Å; P130-T222 HydrophobicContact CB-CG2 4.26Å; V157-T222 HydrophobicContact CG1-CG2 4.04Å; V157-T222 HydrophobicContact CG2-CG2 3.87Å; I191-T222 HydrophobicContact CD1-CG2 4.28Å; I191-T222 HydrophobicContact CG2-CG2 3.69Å; T222-K224 WeakPolarHBondContact OG1-CB 3.48Å; T222-K224 PolarHBondContact OG1-N 3.34Å; T222-K224 VanDerWaalsContact OG1-N 3.12Å; T222-E225 WeakPolarHBondContact CA-OE2 3.45Å; T222-E225 WeakPolarHBondContact CB-OE2 3.48Å; T222-E225 WeakPolarHBondContact CG2-OE1 3.41Å; T222-E225 PolarHBondContact N-OE1 2.85Å; T222-E225 VanDerWaalsContact N-OE1 3.08Å; T222-E225 PolarHBondContact N-OE2 2.86Å; T222-E225 PolarHBondContact OG1-OE1 3.17Å; T222-E225 VanDerWaalsContact OG1-OE1 3.11Å; T222-E225 PolarHBondContact OG1-OE2 3.29Å
223G93.6Very high94.4Very high37 Ų3732.5 Ų32.538%0.38118%0.177SC..SBendtrans80.28.1-169.500000113S221 E225 N228S221-G223 VanDerWaalsContact C-N 3.31Å; G223-E225 PolarHBondContact N-OE2 2.89Å; G223-E225 VanDerWaalsContact N-OE2 3.11Å; G223-N228 VanDerWaalsContact CA-OD1 3.26Å; G223-N228 WeakPolarHBondContact CA-OD1 3.28Å; G223-N228 PolarHBondContact N-OD1 3.43Å
224K93.5Very high94.4Very high104 Ų10432.5 Ų32.545%0.45218%0.177SC..  trans-114.9-8.9178.4-54.6-61.2-174-179.30112.4L60 F129 P130 T222L60-K224 PolarHBondContact O-NZ 3.45Å; F129-K224 HydrophobicContact CE1-CG 4.23Å; F129-K224 HydrophobicContact CZ-CG 3.91Å; P130-K224 HydrophobicContact CB-CB 4Å; P130-K224 HydrophobicContact CB-CG 3.97Å; P130-K224 HydrophobicContact CG-CB 4.36Å; P130-K224 HydrophobicContact CG-CG 4.38Å; T222-K224 WeakPolarHBondContact OG1-CB 3.48Å; T222-K224 PolarHBondContact OG1-N 3.34Å; T222-K224 VanDerWaalsContact OG1-N 3.12Å
225E86.7Confident94.5Very high18 Ų1833.5 Ų33.58%0.08418%0.177CC..SBendtrans-77.8162.4172.7-54.295.4155.600111.5R160 S193 T222 G223 A227 N228R160-E225 IonicContact CZ-OE1 2.69Å; R160-E225 IonicContact NH2-OE1 3.04Å; S193-E225 VanDerWaalsContact CB-OE1 3.26Å; S193-E225 WeakPolarHBondContact CB-OE1 3.4Å; S193-E225 PolarHBondContact OG-OE1 3.18Å; T222-E225 WeakPolarHBondContact CA-OE2 3.45Å; T222-E225 WeakPolarHBondContact CB-OE2 3.48Å; T222-E225 WeakPolarHBondContact CG2-OE1 3.41Å; T222-E225 PolarHBondContact N-OE1 2.85Å; T222-E225 VanDerWaalsContact N-OE1 3.08Å; T222-E225 PolarHBondContact N-OE2 2.86Å; T222-E225 PolarHBondContact OG1-OE1 3.17Å; T222-E225 VanDerWaalsContact OG1-OE1 3.11Å; T222-E225 PolarHBondContact OG1-OE2 3.29Å; G223-E225 PolarHBondContact N-OE2 2.89Å; G223-E225 VanDerWaalsContact N-OE2 3.11Å; E225-A227 WeakPolarHBondContact CB-O 3.48Å; E225-N228 PolarHBondContact O-ND2 2.59Å
226E84.9Confident94.5Very high202 Ų20233.5 Ų33.594%0.94418%0.177SC*.SBendtrans-70.1-50.4173-171.4174.3-175.600110.7N228E226-N228 PolarHBondContact O-ND2 3.39Å
227A86.7Confident94.5Very high46 Ų4631.6 Ų31.638%0.3817%0.167SC..SBendtrans-91.4124.9172.600000111E225E225-A227 WeakPolarHBondContact CB-O 3.48Å
228N89.7Confident94.4Very high26 Ų2631.6 Ų31.614%0.13917%0.167CC..  trans-119.6-155.5-177.6-68.6-85.8000112.3S221 G223 E225 E226 T230 H233 G258S221-N228 WeakPolarHBondContact OG-CA 3.45Å; G223-N228 VanDerWaalsContact CA-OD1 3.26Å; G223-N228 WeakPolarHBondContact CA-OD1 3.28Å; G223-N228 PolarHBondContact N-OD1 3.43Å; E225-N228 PolarHBondContact O-ND2 2.59Å; E226-N228 PolarHBondContact O-ND2 3.39Å; N228-T230 PolarHBondContact O-N 2.89Å; N228-H233 PolarHBondContact O-CE1 3.07Å; N228-H233 PolarHBondContact O-ND1 2.9Å; N228-H233 VanDerWaalsContact O-ND1 3.11Å; N228-G258 VanDerWaalsContact CB-O 3.31Å; N228-G258 WeakPolarHBondContact CB-O 3.41Å
229A89Confident94.3Very high14 Ų1432.1 Ų32.112%0.11617%0.17CC..  trans-57.2132.3178.900000111.3T220 A256 A257 G258 I260T220-A229 HydrophobicContact CG2-CB 4.15Å; T220-A229 WeakPolarHBondContact OG1-CB 3.45Å; A229-A256 HydrophobicContact CB-CB 4.37Å; A229-A257 WeakPolarHBondContact CB-O 3.19Å; A229-G258 PolarHBondContact N-O 3.01Å; A229-I260 HydrophobicContact CB-CD1 4.31Å; A229-I260 HydrophobicContact CB-CG1 4.46Å
230T94.3Very high94.3Very high55 Ų5531.9 Ų31.934%0.33717%0.169SC..  trans-138.7168.116870.90000108.1N228 Y232 H233 S234N228-T230 PolarHBondContact O-N 2.89Å; T230-Y232 VanDerWaalsContact C-N 3.25Å; T230-Y232 PolarHBondContact O-N 3.08Å; T230-Y232 PolarHBondContact OG1-N 3.16Å; T230-H233 PolarHBondContact O-N 2.9Å; T230-H233 PolarHBondContact OG1-N 3.07Å; T230-H233 PolarHBondContact OG1-ND1 3.12Å; T230-S234 PolarHBondContact O-N 3.4Å; T230-S234 VanDerWaalsContact O-N 3.07Å; T230-S234 PolarHBondContact O-OG 2.98Å
231F94.9Very high94.2Very high1 Ų131.9 Ų31.90%0.00417%0.169CC..Hα-helixtrans-57.2-41.3172.1177.3-88.8000112.2I25 A28 R29 M32 H233 S234 Y235 I268 V272I25-F231 HydrophobicContact CG2-CD1 4.29Å; I25-F231 HydrophobicContact CG2-CE1 4.02Å; I25-F231 WeakPolarHBondContact O-CE1 3.1Å; A28-F231 HydrophobicContact CB-CE1 4.34Å; A28-F231 HydrophobicContact CB-CZ 3.93Å; R29-F231 HydrophobicContact CB-CD1 3.61Å; R29-F231 HydrophobicContact CB-CE1 3.46Å; R29-F231 VanDerWaalsContact CB-CE1 3.46Å; R29-F231 HydrophobicContact CB-CG 4.45Å; R29-F231 HydrophobicContact CB-CZ 4.18Å; R29-F231 VanDerWaalsContact CD-CD1 3.44Å; R29-F231 VanDerWaalsContact CD-CG 3.47Å; R29-F231 HydrophobicContact CG-CD1 4.03Å; R29-F231 HydrophobicContact CG-CE1 4.35Å; R29-F231 VanDerWaalsContact N-CE1 3.34Å; M32-F231 HydrophobicContact CB-CE2 4.11Å; M32-F231 HydrophobicContact CG-CE2 3.66Å; M32-F231 HydrophobicContact CG-CZ 4.19Å; F231-H233 PolarHBondContact O-N 2.96Å; F231-S234 PolarHBondContact O-N 3.45Å; F231-Y235 HydrophobicContact CE1-CD2 4.48Å; F231-Y235 HydrophobicContact CZ-CD2 4.17Å; F231-Y235 PolarHBondContact O-N 3.39Å; F231-I268 HydrophobicContact CB-CG1 4.38Å; F231-I268 HydrophobicContact CD2-CG1 3.96Å; F231-V272 HydrophobicContact CD2-CB 4.29Å; F231-V272 HydrophobicContact CD2-CG2 4.44Å; F231-V272 HydrophobicContact CE2-CB 3.73Å; F231-V272 HydrophobicContact CE2-CG1 4.38Å; F231-V272 HydrophobicContact CE2-CG2 3.6Å; F231-V272 HydrophobicContact CZ-CG2 4.1Å
232Y95.2Very high94.2Very high81 Ų8136.6 Ų36.632%0.31819%0.187SC..Hα-helixtrans-61.7-26.4-179.9-61.6-87.2000113.1I25 Q26 T230 P236I25-Y232 HydrophobicContact CG2-CD1 3.49Å; I25-Y232 VanDerWaalsContact CG2-CD1 3.49Å; I25-Y232 HydrophobicContact CG2-CE1 4.09Å; I25-Y232 HydrophobicContact CG2-CG 4.28Å; Q26-Y232 PolarHBondContact OE1-OH 3.49Å; T230-Y232 VanDerWaalsContact C-N 3.25Å; T230-Y232 PolarHBondContact O-N 3.08Å; T230-Y232 PolarHBondContact OG1-N 3.16Å; Y232-P236 WeakPolarHBondContact O-CD 3.33Å; Y232-P236 VanDerWaalsContact O-CG 3.3Å; Y232-P236 WeakPolarHBondContact O-CG 3.48Å
233H95.8Very high94.1Very high34 Ų3438.2 Ų38.216%0.15720%0.195CC..Hα-helixtrans-84.5-31.5170.2-56.4130.9000112.8V194 N228 T230 F231 P236 M237V194-H233 HydrophobicContact CB-CB 3.91Å; V194-H233 HydrophobicContact CG1-CB 4.31Å; V194-H233 HydrophobicContact CG2-CB 3.6Å; V194-H233 VanDerWaalsContact CG2-CG 3.43Å; N228-H233 PolarHBondContact O-CE1 3.07Å; N228-H233 PolarHBondContact O-ND1 2.9Å; N228-H233 VanDerWaalsContact O-ND1 3.11Å; T230-H233 PolarHBondContact O-N 2.9Å; T230-H233 PolarHBondContact OG1-N 3.07Å; T230-H233 PolarHBondContact OG1-ND1 3.12Å; F231-H233 PolarHBondContact O-N 2.96Å; H233-P236 WeakPolarHBondContact O-CD 3.45Å; H233-P236 WeakPolarHBondContact O-CG 3.43Å; H233-M237 VanDerWaalsContact O-CG 3.23Å; H233-M237 WeakPolarHBondContact O-CG 3Å; H233-M237 PolarHBondContact O-N 2.95Å
234S97.6Very high94.2Very high0 Ų036.5 Ų36.50%018%0.177CC..Hα-helixtrans-73.5-38.3-175.3-54.80000112.3T230 F231 M237 C238 H269T230-S234 PolarHBondContact O-N 3.4Å; T230-S234 VanDerWaalsContact O-N 3.07Å; T230-S234 PolarHBondContact O-OG 2.98Å; F231-S234 PolarHBondContact O-N 3.45Å; S234-M237 PolarHBondContact O-N 3.5Å; S234-C238 WeakPolarHBondContact O-CB 3.36Å; S234-C238 PolarHBondContact O-N 2.83Å; S234-C238 PolarHBondContact O-SG 3.06Å; S234-H269 PolarHBondContact OG-CE1 3.07Å; S234-H269 PolarHBondContact OG-ND1 3.19Å
235Y97.4Very high94.3Very high32 Ų3233.5 Ų33.513%0.12516%0.164CC..Hα-helixtrans-57.6-56.2177.9-176.2-82000113.1I25 A28 F231 M237 C238 L239 V272 M276I25-Y235 HydrophobicContact CB-CD1 4.5Å; I25-Y235 HydrophobicContact CD1-CD1 4.46Å; I25-Y235 HydrophobicContact CG1-CD1 3.62Å; I25-Y235 HydrophobicContact CG1-CE1 4.03Å; I25-Y235 HydrophobicContact CG1-CG 4.18Å; I25-Y235 HydrophobicContact CG2-CG 4.42Å; A28-Y235 HydrophobicContact CB-CD2 3.63Å; A28-Y235 HydrophobicContact CB-CE2 3.35Å; F231-Y235 HydrophobicContact CE1-CD2 4.48Å; F231-Y235 HydrophobicContact CZ-CD2 4.17Å; F231-Y235 PolarHBondContact O-N 3.39Å; Y235-M237 VanDerWaalsContact C-N 3.26Å; Y235-M237 PolarHBondContact O-N 3.35Å; Y235-C238 PolarHBondContact O-N 2.95Å; Y235-L239 HydrophobicContact CE1-CD2 4.32Å; Y235-L239 WeakPolarHBondContact O-CB 3.25Å; Y235-L239 PolarHBondContact O-N 2.78Å; Y235-V272 HydrophobicContact CD2-CG2 4.45Å; Y235-M276 HydrophobicContact CD2-CE 4.1Å; Y235-M276 HydrophobicContact CD2-SD 3.61Å; Y235-M276 HydrophobicContact CE1-CE 4.4Å; Y235-M276 HydrophobicContact CE2-CE 3.83Å; Y235-M276 HydrophobicContact CE2-SD 3.78Å; Y235-M276 HydrophobicContact CG-SD 4.25Å
236P97.2Very high94.5Very high0 Ų037.4 Ų37.40%019%0.186CC..Hα-helixtrans-64-30179.123.7-33.7000112.9F20 S200 V203 Y232 H233 A240F20-P236 HydrophobicContact CE2-CB 4.24Å; F20-P236 HydrophobicContact CZ-CB 4.04Å; S200-P236 WeakPolarHBondContact O-CB 3.42Å; V203-P236 HydrophobicContact CB-CB 4.35Å; V203-P236 HydrophobicContact CB-CG 4.01Å; V203-P236 HydrophobicContact CG1-CB 4.23Å; V203-P236 HydrophobicContact CG1-CG 3.75Å; Y232-P236 WeakPolarHBondContact O-CD 3.33Å; Y232-P236 VanDerWaalsContact O-CG 3.3Å; Y232-P236 WeakPolarHBondContact O-CG 3.48Å; H233-P236 WeakPolarHBondContact O-CD 3.45Å; H233-P236 WeakPolarHBondContact O-CG 3.43Å; P236-A240 WeakPolarHBondContact O-CB 3.46Å; P236-A240 PolarHBondContact O-N 2.82Å
237M98.3Very high94.8Very high0 Ų034.9 Ų34.90%017%0.168CC..Hα-helixtrans-67.3-45.4172.7-70-179.967.500112L192 V194 V203 S207 I218 T220 H233 S234 Y235 A240 I241 F254L192-M237 HydrophobicContact CD1-CE 3.81Å; L192-M237 HydrophobicContact CD1-CG 4.22Å; L192-M237 HydrophobicContact CD1-SD 4.11Å; V194-M237 HydrophobicContact CG1-SD 3.85Å; V203-M237 HydrophobicContact CG1-CG 3.58Å; V203-M237 HydrophobicContact CG1-SD 4.37Å; S207-M237 WeakPolarHBondContact OG-CG 3.45Å; I218-M237 HydrophobicContact CB-CE 3.85Å; I218-M237 HydrophobicContact CD1-CB 3.94Å; I218-M237 HydrophobicContact CD1-CE 3.73Å; I218-M237 HydrophobicContact CD1-CG 4.31Å; I218-M237 HydrophobicContact CG1-CE 3.64Å; T220-M237 HydrophobicContact CG2-CE 4.16Å; T220-M237 HydrophobicContact CG2-SD 3.52Å; T220-M237 VanDerWaalsContact CG2-SD 3.52Å; H233-M237 VanDerWaalsContact O-CG 3.23Å; H233-M237 WeakPolarHBondContact O-CG 3Å; H233-M237 PolarHBondContact O-N 2.95Å; S234-M237 PolarHBondContact O-N 3.5Å; Y235-M237 VanDerWaalsContact C-N 3.26Å; Y235-M237 PolarHBondContact O-N 3.35Å; M237-A240 WeakPolarHBondContact O-CB 3.43Å; M237-A240 PolarHBondContact O-N 3.19Å; M237-I241 WeakPolarHBondContact O-CG1 3.32Å; M237-I241 PolarHBondContact O-N 3.23Å; M237-F254 HydrophobicContact CB-CD2 4.05Å; M237-F254 HydrophobicContact CB-CE2 3.83Å; M237-F254 HydrophobicContact CE-CD2 3.92Å; M237-F254 HydrophobicContact CE-CE2 3.78Å; M237-F254 HydrophobicContact CG-CE2 4.46Å; M237-F254 HydrophobicContact SD-CE2 3.87Å
238C98.1Very high95.1Very high0 Ų035.7 Ų35.70%016%0.162CC..Hα-helixtrans-64.7-41.3176-66.30000111S234 Y235 A240 I241 R242 M276 L277S234-C238 WeakPolarHBondContact O-CB 3.36Å; S234-C238 PolarHBondContact O-N 2.83Å; S234-C238 PolarHBondContact O-SG 3.06Å; Y235-C238 PolarHBondContact O-N 2.95Å; C238-A240 VanDerWaalsContact C-N 3.31Å; C238-A240 PolarHBondContact O-N 3.4Å; C238-I241 PolarHBondContact O-N 3.36Å; C238-R242 PolarHBondContact O-N 3.4Å; C238-M276 HydrophobicContact CB-CB 4.18Å; C238-M276 HydrophobicContact CB-CE 4.24Å; C238-M276 HydrophobicContact CB-SD 3.68Å; C238-L277 HydrophobicContact CB-CD1 4.35Å; C238-L277 HydrophobicContact CB-CG 4.45Å; C238-L277 WeakPolarHBondContact O-CD2 3.43Å
239L96.6Very high95.2Very high11 Ų1140.5 Ų40.56%0.05818%0.184CC..Hα-helixtrans-58.2-43.5173.4-17858.2000111.7F20 Y204 Y235 R242 N243 M276F20-L239 HydrophobicContact CB-CD2 4.01Å; F20-L239 HydrophobicContact CD1-CD2 3.36Å; F20-L239 HydrophobicContact CD2-CD2 4.44Å; F20-L239 HydrophobicContact CE1-CD2 3.81Å; F20-L239 HydrophobicContact CG-CD2 3.7Å; Y204-L239 HydrophobicContact CD2-CB 4.44Å; Y204-L239 HydrophobicContact CD2-CD2 4.38Å; Y204-L239 HydrophobicContact CD2-CG 4.24Å; Y204-L239 HydrophobicContact CE2-CD2 4.43Å; Y204-L239 HydrophobicContact CE2-CG 4Å; Y235-L239 HydrophobicContact CE1-CD2 4.32Å; Y235-L239 WeakPolarHBondContact O-CB 3.25Å; Y235-L239 PolarHBondContact O-N 2.78Å; L239-R242 PolarHBondContact O-N 3.38Å; L239-N243 WeakPolarHBondContact O-CB 3.32Å; L239-N243 PolarHBondContact O-N 2.91Å; L239-N243 PolarHBondContact O-ND2 3.09Å; L239-N243 PolarHBondContact O-OD1 2.73Å; L239-M276 HydrophobicContact CB-CE 3.93Å; L239-M276 HydrophobicContact CD1-CE 4.45Å
240A97.6Very high95.4Very high0 Ų042.7 Ų42.70%019%0.189CC..Hα-helixtrans-61.9-46.2175.300000111.7Y204 M208 M211 P236 M237 C238 R242 N243 F244Y204-A240 HydrophobicContact CD2-CB 3.68Å; Y204-A240 VanDerWaalsContact CE2-CA 3.42Å; Y204-A240 HydrophobicContact CE2-CB 3.76Å; Y204-A240 HydrophobicContact CG-CB 4.26Å; M208-A240 HydrophobicContact CG-CB 4.15Å; M208-A240 HydrophobicContact SD-CB 4.09Å; M211-A240 HydrophobicContact CE-CB 3.86Å; M211-A240 WeakPolarHBondContact CE-O 3.17Å; P236-A240 WeakPolarHBondContact O-CB 3.46Å; P236-A240 PolarHBondContact O-N 2.82Å; M237-A240 WeakPolarHBondContact O-CB 3.43Å; M237-A240 PolarHBondContact O-N 3.19Å; C238-A240 VanDerWaalsContact C-N 3.31Å; C238-A240 PolarHBondContact O-N 3.4Å; A240-R242 VanDerWaalsContact C-N 3.34Å; A240-R242 PolarHBondContact O-N 2.67Å; A240-N243 PolarHBondContact O-N 3.19Å; A240-F244 WeakPolarHBondContact O-CB 3.18Å; A240-F244 PolarHBondContact O-N 3.45Å
241I98.2Very high95.5Very high1 Ų145.5 Ų45.51%0.00519%0.194CC..Hα-helixtrans-59.1-46.1178-69.6166.8000110.8M211 I218 M237 C238 F244 F245 F254 L277M211-I241 HydrophobicContact CE-CG1 4.45Å; M211-I241 HydrophobicContact SD-CG1 3.92Å; I218-I241 HydrophobicContact CD1-CD1 3.75Å; I218-I241 HydrophobicContact CD1-CG1 3.68Å; I218-I241 HydrophobicContact CG1-CD1 3.87Å; I218-I241 HydrophobicContact CG1-CG1 4.17Å; M237-I241 WeakPolarHBondContact O-CG1 3.32Å; M237-I241 PolarHBondContact O-N 3.23Å; C238-I241 PolarHBondContact O-N 3.36Å; I241-F244 PolarHBondContact O-N 3.06Å; I241-F245 WeakPolarHBondContact O-CB 3.48Å; I241-F245 PolarHBondContact O-N 3.17Å; I241-F254 HydrophobicContact CD1-CB 3.71Å; I241-F254 HydrophobicContact CD1-CD2 4.38Å; I241-L277 HydrophobicContact CB-CD1 4.16Å; I241-L277 HydrophobicContact CB-CD2 4.17Å; I241-L277 HydrophobicContact CD1-CD1 4.24Å; I241-L277 HydrophobicContact CG2-CD1 3.84Å; I241-L277 HydrophobicContact CG2-CD2 3.92Å
242R95.9Very high95.7Very high99 Ų9945.5 Ų45.537%0.37419%0.194SC..Hα-helixtrans-57.8-54.5177.5-172.2178.368.3-176.32.1111.2C238 L239 A240 F244 F245 D246 L277C238-R242 PolarHBondContact O-N 3.4Å; L239-R242 PolarHBondContact O-N 3.38Å; A240-R242 VanDerWaalsContact C-N 3.34Å; A240-R242 PolarHBondContact O-N 2.67Å; R242-F244 VanDerWaalsContact C-N 3.26Å; R242-F244 PolarHBondContact O-N 3.11Å; R242-F245 PolarHBondContact O-N 3.45Å; R242-F245 VanDerWaalsContact O-N 3.14Å; R242-D246 PolarHBondContact O-N 3.34Å; R242-L277 HydrophobicContact CB-CD2 3.77Å
243N95.2Very high95.8Very high42 Ų4241.6 Ų41.623%0.22518%0.179CC..Hα-helixtrans-62.1-35.5-179-66.3-6.6000112.1Y204 L239 A240 R247Y204-N243 WeakPolarHBondContact CE2-ND2 3.42Å; Y204-N243 PolarHBondContact OH-ND2 3.36Å; L239-N243 WeakPolarHBondContact O-CB 3.32Å; L239-N243 PolarHBondContact O-N 2.91Å; L239-N243 PolarHBondContact O-ND2 3.09Å; L239-N243 PolarHBondContact O-OD1 2.73Å; A240-N243 PolarHBondContact O-N 3.19Å; N243-R247 WeakPolarHBondContact O-CB 3.45Å; N243-R247 PolarHBondContact O-N 2.75Å
244F95.6Very high96Very high1 Ų140 Ų400%0.00417%0.171CC..Hα-helixtrans-67.4-45.1175.3-176.1-89.8000111.6L8 M208 M211 L212 A240 I241 R242 R247 F248 R250 V252L8-F244 HydrophobicContact CD1-CE2 3.78Å; L8-F244 HydrophobicContact CD1-CZ 3.49Å; L8-F244 VanDerWaalsContact CD1-CZ 3.49Å; M208-F244 HydrophobicContact CE-CB 4.42Å; M208-F244 HydrophobicContact CE-CD2 4.23Å; M208-F244 HydrophobicContact SD-CB 4.03Å; M208-F244 HydrophobicContact SD-CD2 4.38Å; M211-F244 HydrophobicContact CB-CD1 4.3Å; M211-F244 HydrophobicContact CB-CD2 3.62Å; M211-F244 HydrophobicContact CB-CE1 4.19Å; M211-F244 HydrophobicContact CB-CE2 3.52Å; M211-F244 HydrophobicContact CB-CG 4.03Å; M211-F244 HydrophobicContact CB-CZ 3.82Å; M211-F244 HydrophobicContact CE-CB 3.64Å; M211-F244 HydrophobicContact CE-CD2 4.19Å; M211-F244 HydrophobicContact CE-CG 3.96Å; M211-F244 HydrophobicContact SD-CB 3.9Å; M211-F244 HydrophobicContact SD-CD1 4.01Å; M211-F244 HydrophobicContact SD-CD2 4.31Å; M211-F244 HydrophobicContact SD-CG 3.82Å; L212-F244 HydrophobicContact CD2-CE2 4.18Å; L212-F244 HydrophobicContact CG-CE2 4.36Å; A240-F244 WeakPolarHBondContact O-CB 3.18Å; A240-F244 PolarHBondContact O-N 3.45Å; I241-F244 PolarHBondContact O-N 3.06Å; R242-F244 VanDerWaalsContact C-N 3.26Å; R242-F244 PolarHBondContact O-N 3.11Å; F244-R247 PolarHBondContact O-N 2.98Å; F244-F248 HydrophobicContact CD1-CD2 4.39Å; F244-F248 AromaticContact CD2-CD2 3.47Å; F244-F248 HydrophobicContact CD2-CD2 3.47Å; F244-F248 VanDerWaalsContact CD2-CD2 3.47Å; F244-F248 AromaticContact CD2-CE2 3.8Å; F244-F248 HydrophobicContact CD2-CE2 3.8Å; F244-F248 HydrophobicContact CE1-CB 4.33Å; F244-F248 HydrophobicContact CE1-CD2 4.44Å; F244-F248 AromaticContact CE2-CD2 3.52Å; F244-F248 HydrophobicContact CE2-CD2 3.52Å; F244-F248 AromaticContact CE2-CE2 3.89Å; F244-F248 HydrophobicContact CE2-CE2 3.89Å; F244-F248 HydrophobicContact CE2-CG 4.26Å; F244-F248 AromaticContact CG-CD2 3.93Å; F244-F248 HydrophobicContact CG-CD2 3.93Å; F244-F248 HydrophobicContact CZ-CB 4.35Å; F244-F248 HydrophobicContact CZ-CD2 4.03Å; F244-F248 HydrophobicContact CZ-CG 4.39Å; F244-F248 WeakPolarHBondContact O-CB 3.42Å; F244-F248 WeakPolarHBondContact O-CD2 2.99Å; F244-F248 PolarHBondContact O-N 3.3Å; F244-R250 WeakPolarHBondContact CD1-O 3.38Å; F244-R250 HydrophobicContact CE1-CB 3.9Å; F244-R250 HydrophobicContact CE1-CG 4.28Å; F244-V252 HydrophobicContact CD1-CG2 4.02Å; F244-V252 HydrophobicContact CE1-CG2 3.75Å
245F94.6Very high96Very high40 Ų4040 Ų4018%0.17517%0.171CC..Hα-helixtrans-63-47.6177.3-179.6-105.4000111.4I241 R242 R247 F248 Q249 R251 W281I241-F245 WeakPolarHBondContact O-CB 3.48Å; I241-F245 PolarHBondContact O-N 3.17Å; R242-F245 PolarHBondContact O-N 3.45Å; R242-F245 VanDerWaalsContact O-N 3.14Å; F245-R247 PolarHBondContact O-N 2.86Å; F245-F248 PolarHBondContact O-N 3Å; F245-Q249 VanDerWaalsContact O-CA 3.22Å; F245-Q249 WeakPolarHBondContact O-CA 3.3Å; F245-Q249 PolarHBondContact O-N 2.91Å; F245-Q249 PolarHBondContact O-NE2 2.93Å; F245-Q249 VanDerWaalsContact O-NE2 3.1Å; F245-R251 HydrophobicContact CD2-CG 3.85Å; F245-R251 HydrophobicContact CE2-CG 3.61Å; F245-W281 HydrophobicContact CB-CZ2 4.34Å; F245-W281 AromaticContact CD1-CH2 3.91Å; F245-W281 HydrophobicContact CD1-CH2 3.91Å; F245-W281 AromaticContact CD2-CH2 3.86Å; F245-W281 HydrophobicContact CD2-CH2 3.86Å; F245-W281 HydrophobicContact CD2-CZ2 4.03Å; F245-W281 HydrophobicContact CE1-CH2 4.01Å; F245-W281 AromaticContact CE2-CH2 3.98Å; F245-W281 HydrophobicContact CE2-CH2 3.98Å; F245-W281 AromaticContact CG-CH2 3.82Å; F245-W281 HydrophobicContact CG-CH2 3.82Å; F245-W281 HydrophobicContact CG-CZ2 4.03Å; F245-W281 HydrophobicContact CZ-CH2 4.05Å
246D91.6Very high96.1Very high100 Ų10038.5 Ų38.554%0.53517%0.165SC..Hα-helixtrans-54.6-40.6177.7-70.5-19.4000111.5R242 Q249R242-D246 PolarHBondContact O-N 3.34Å; D246-Q249 PolarHBondContact O-NE2 3.44Å; D246-Q249 VanDerWaalsContact O-NE2 3.14Å
247R91.5Very high96.1Very high150 Ų15038.6 Ų38.657%0.56617%0.166SC*.Hα-helixtrans-82.4-39.7-175.7-171.7169.7-174.41643.7114.5N243 F244 F245N243-R247 WeakPolarHBondContact O-CB 3.45Å; N243-R247 PolarHBondContact O-N 2.75Å; F244-R247 PolarHBondContact O-N 2.98Å; F245-R247 PolarHBondContact O-N 2.86Å
248F92.4Very high95.9Very high62 Ų6239.1 Ų39.127%0.27217%0.171SC..Hα-helixtrans-115.4-8.5-169-61.1-72000114L8 V14 L212 F244 F245 R250L8-F248 HydrophobicContact CD1-CB 4.31Å; L8-F248 HydrophobicContact CD1-CD1 3.91Å; L8-F248 HydrophobicContact CD1-CD2 4.34Å; L8-F248 HydrophobicContact CD1-CE1 4.29Å; L8-F248 HydrophobicContact CD1-CG 3.94Å; L8-F248 HydrophobicContact CD2-CD1 3.95Å; L8-F248 HydrophobicContact CD2-CE1 4.23Å; V14-F248 HydrophobicContact CG1-CE2 4.03Å; V14-F248 HydrophobicContact CG1-CZ 3.94Å; L212-F248 HydrophobicContact CD2-CE2 4.06Å; L212-F248 HydrophobicContact CD2-CZ 3.9Å; F244-F248 HydrophobicContact CD1-CD2 4.39Å; F244-F248 AromaticContact CD2-CD2 3.47Å; F244-F248 HydrophobicContact CD2-CD2 3.47Å; F244-F248 VanDerWaalsContact CD2-CD2 3.47Å; F244-F248 AromaticContact CD2-CE2 3.8Å; F244-F248 HydrophobicContact CD2-CE2 3.8Å; F244-F248 HydrophobicContact CE1-CB 4.33Å; F244-F248 HydrophobicContact CE1-CD2 4.44Å; F244-F248 AromaticContact CE2-CD2 3.52Å; F244-F248 HydrophobicContact CE2-CD2 3.52Å; F244-F248 AromaticContact CE2-CE2 3.89Å; F244-F248 HydrophobicContact CE2-CE2 3.89Å; F244-F248 HydrophobicContact CE2-CG 4.26Å; F244-F248 AromaticContact CG-CD2 3.93Å; F244-F248 HydrophobicContact CG-CD2 3.93Å; F244-F248 HydrophobicContact CZ-CB 4.35Å; F244-F248 HydrophobicContact CZ-CD2 4.03Å; F244-F248 HydrophobicContact CZ-CG 4.39Å; F244-F248 WeakPolarHBondContact O-CB 3.42Å; F244-F248 WeakPolarHBondContact O-CD2 2.99Å; F244-F248 PolarHBondContact O-N 3.3Å; F245-F248 PolarHBondContact O-N 3Å; F248-R250 PolarHBondContact O-N 2.75Å; F248-R250 VanDerWaalsContact O-N 3.07Å
249Q91.9Very high95.5Very high127 Ų12740.8 Ų40.859%0.59319%0.188SC*.  trans54.626.3-178.5-58.4-64.8-54.400113F245 D246F245-Q249 VanDerWaalsContact O-CA 3.22Å; F245-Q249 WeakPolarHBondContact O-CA 3.3Å; F245-Q249 PolarHBondContact O-N 2.91Å; F245-Q249 PolarHBondContact O-NE2 2.93Å; F245-Q249 VanDerWaalsContact O-NE2 3.1Å; D246-Q249 PolarHBondContact O-NE2 3.44Å; D246-Q249 VanDerWaalsContact O-NE2 3.14Å
250R93.5Very high95.5Very high60 Ų6040.6 Ų40.623%0.22619%0.188CC..  trans-111120.6176.5-178.517895.3101.4-0.2108.8M211 S215 F244 F248M211-R250 PolarHBondContact O-NH2 2.8Å; S215-R250 PolarHBondContact O-NH1 3.2Å; S215-R250 PolarHBondContact O-NH2 3.21Å; F244-R250 WeakPolarHBondContact CD1-O 3.38Å; F244-R250 HydrophobicContact CE1-CB 3.9Å; F244-R250 HydrophobicContact CE1-CG 4.28Å; F248-R250 PolarHBondContact O-N 2.75Å; F248-R250 VanDerWaalsContact O-N 3.07Å
251R96.3Very high95.4Very high114 Ų11448.7 Ų48.743%0.4322%0.218SC..  trans-74.1136.3175.7-60.2-175.7174.286.5-12.9109.9F245 E280 W281 L286F245-R251 HydrophobicContact CD2-CG 3.85Å; F245-R251 HydrophobicContact CE2-CG 3.61Å; R251-E280 WeakPolarHBondContact CD-OE1 3.42Å; R251-E280 IonicContact CZ-OE1 2.66Å; R251-E280 IonicContact CZ-OE2 3.7Å; R251-E280 IonicContact NE-OE1 2.62Å; R251-E280 PolarHBondContact NE-OE1 3.1Å; R251-E280 IonicContact NE-OE2 2.89Å; R251-E280 PolarHBondContact NE-OE2 3.09Å; R251-E280 IonicContact NH2-OE1 3.86Å; R251-E280 PolarHBondContact NH2-OE1 2.72Å; R251-E280 VanDerWaalsContact NH2-OE1 3.12Å; R251-E280 IonicContact NH2-OE2 3.92Å; R251-E280 PolarHBondContact NH2-OE2 2.75Å; R251-W281 HydrophobicContact CB-CZ2 4.14Å; R251-W281 HydrophobicContact CG-CH2 3.94Å; R251-W281 HydrophobicContact CG-CZ2 3.81Å; R251-L286 HydrophobicContact CB-CD1 4.46Å; R251-L286 HydrophobicContact CB-CD2 3.82Å
252V98.3Very high95.3Very high1 Ų150.5 Ų50.51%0.00623%0.231CC..  trans-131.2136.1173.1179.70000106.8M211 D216 F244 W281M211-V252 HydrophobicContact CB-CG2 4.32Å; M211-V252 HydrophobicContact CG-CB 4.13Å; M211-V252 HydrophobicContact CG-CG1 3.78Å; M211-V252 HydrophobicContact CG-CG2 3.9Å; M211-V252 HydrophobicContact SD-CB 3.75Å; M211-V252 HydrophobicContact SD-CG1 3.87Å; M211-V252 HydrophobicContact SD-CG2 3.84Å; D216-V252 WeakPolarHBondContact O-CG1 3.4Å; F244-V252 HydrophobicContact CD1-CG2 4.02Å; F244-V252 HydrophobicContact CE1-CG2 3.75Å; V252-W281 PolarHBondContact O-NE1 3.4Å; V252-W281 VanDerWaalsContact O-NE1 3.17Å
253G98.8Very high95.3Very high0 Ų046.4 Ų46.40%022%0.216CC..EExtended strand (participates in β ladder)trans-80.9158.617900000114.1D216 F217 I218 L286D216-G253 PolarHBondContact O-N 2.95Å; F217-G253 CarbonylContact C-O 3.38Å; F217-G253 WeakPolarHBondContact CA-O 3.49Å; F217-G253 VanDerWaalsContact CD1-CA 3.48Å; I218-G253 PolarHBondContact N-O 3.43Å; G253-L286 CarbonylContact C-O 3.53Å; G253-L286 WeakPolarHBondContact CA-O 3.42Å
254F98.9Very high95.3Very high0 Ų047.6 Ų47.60%022%0.222CC..EExtended strand (participates in β ladder)trans-109134.9173.7174.5-100000110.5T220 M237 I241 A256 H269 V273 L286 F287 R288T220-F254 HydrophobicContact CG2-CE2 4.18Å; T220-F254 HydrophobicContact CG2-CZ 4.15Å; M237-F254 HydrophobicContact CB-CD2 4.05Å; M237-F254 HydrophobicContact CB-CE2 3.83Å; M237-F254 HydrophobicContact CE-CD2 3.92Å; M237-F254 HydrophobicContact CE-CE2 3.78Å; M237-F254 HydrophobicContact CG-CE2 4.46Å; M237-F254 HydrophobicContact SD-CE2 3.87Å; I241-F254 HydrophobicContact CD1-CB 3.71Å; I241-F254 HydrophobicContact CD1-CD2 4.38Å; F254-A256 HydrophobicContact CE1-CB 3.67Å; F254-A256 HydrophobicContact CZ-CB 3.89Å; F254-H269 HydrophobicContact CE1-CB 4.41Å; F254-V273 HydrophobicContact CB-CG2 4.35Å; F254-V273 HydrophobicContact CD1-CG2 3.54Å; F254-V273 HydrophobicContact CE1-CG2 4.03Å; F254-V273 HydrophobicContact CG-CG2 4.08Å; F254-L286 PolarHBondContact N-O 3.11Å; F254-F287 AromaticContact CD1-CD2 3.76Å; F254-F287 HydrophobicContact CD1-CD2 3.76Å; F254-F287 AromaticContact CD1-CE2 3.74Å; F254-F287 HydrophobicContact CD1-CE2 3.74Å; F254-F287 HydrophobicContact CE1-CD2 4.5Å; F254-F287 HydrophobicContact CE1-CE2 4.03Å; F254-F287 CarbonylContact O-C 3.48Å; F254-F287 WeakPolarHBondContact O-CA 3.49Å; F254-R288 PolarHBondContact O-N 3.37Å
255K98.8Very high95.3Very high0 Ų050.4 Ų50.40%024%0.237CC..EExtended strand (participates in β ladder)trans-127.2106.8173.4-178.1167.1168.8-171.90111.9D56 D155 K189 F217 I218 K219 T220 R288D56-K255 VanDerWaalsContact OD2-CE 3.23Å; D56-K255 WeakPolarHBondContact OD2-CE 3.14Å; D56-K255 IonicContact OD2-NZ 2.84Å; D56-K255 PolarHBondContact OD2-NZ 2.85Å; D155-K255 IonicContact OD1-NZ 2.73Å; D155-K255 IonicContact OD2-NZ 2.88Å; D155-K255 PolarHBondContact OD2-NZ 3.19Å; K189-K255 HydrophobicContact CD-CD 3.75Å; F217-K255 HydrophobicContact CD1-CB 4.13Å; I218-K255 PolarHBondContact O-N 2.96Å; K219-K255 VanDerWaalsContact CA-O 3.24Å; K219-K255 WeakPolarHBondContact CA-O 3.45Å; K219-K255 HydrophobicContact CB-CB 4.02Å; K219-K255 HydrophobicContact CB-CG 4.38Å; K219-K255 HydrophobicContact CD-CD 3.79Å; K219-K255 HydrophobicContact CD-CG 4.11Å; K219-K255 HydrophobicContact CG-CB 4.23Å; K219-K255 HydrophobicContact CG-CD 4.27Å; K219-K255 HydrophobicContact CG-CG 4.06Å; T220-K255 PolarHBondContact N-O 2.77Å; K255-R288 CarbonylContact C-O 3.15Å; K255-R288 VanDerWaalsContact CA-O 3.23Å; K255-R288 WeakPolarHBondContact CA-O 3.1Å; K255-R288 HydrophobicContact CB-CB 3.91Å; K255-R288 HydrophobicContact CD-CB 3.81Å; K255-R288 HydrophobicContact CG-CB 3.67Å
256A98.4Very high95.5Very high0 Ų048.5 Ų48.50%023%0.229CC..EExtended strand (participates in β ladder)trans-80.1129.3169.400000109.6A229 F254 I260 H269 R288 I289 G290A229-A256 HydrophobicContact CB-CB 4.37Å; F254-A256 HydrophobicContact CE1-CB 3.67Å; F254-A256 HydrophobicContact CZ-CB 3.89Å; A256-I260 HydrophobicContact CB-CD1 3.69Å; A256-H269 HydrophobicContact CB-CB 3.98Å; A256-R288 PolarHBondContact N-O 2.88Å; A256-I289 HydrophobicContact CB-CD1 3.86Å; A256-I289 CarbonylContact O-C 3.5Å; A256-I289 WeakPolarHBondContact O-CA 3.38Å; A256-G290 PolarHBondContact O-N 3.34Å
257A98.1Very high95.8Very high3 Ų343.8 Ų43.83%0.02520%0.204CC..EExtended strand (participates in β ladder)trans-148.3147.5-177.600000112.7K219 T220 S221 A229 G290K219-A257 HydrophobicContact CD-CB 4.22Å; K219-A257 HydrophobicContact CG-CB 4.08Å; T220-A257 PolarHBondContact OG1-N 2.96Å; T220-A257 PolarHBondContact OG1-O 2.85Å; S221-A257 WeakPolarHBondContact CB-O 3.35Å; A229-A257 WeakPolarHBondContact CB-O 3.19Å; A257-G290 WeakPolarHBondContact CA-O 3.4Å
258G92.6Very high96.1Very high10 Ų1037 Ų3710%0.10318%0.179CC..SBendtrans84133.6-179.600000112.5N228 A229 I260 G290N228-G258 VanDerWaalsContact CB-O 3.31Å; N228-G258 WeakPolarHBondContact CB-O 3.41Å; A229-G258 PolarHBondContact N-O 3.01Å; G258-I260 PolarHBondContact O-N 3.27Å; G258-G290 PolarHBondContact N-O 2.78Å
259G91.2Very high96.3Very high35 Ų3534.3 Ų34.336%0.36117%0.167SC..SBendtrans78.1-13.6177.800000116.1R261G259-R261 PolarHBondContact O-N 2.95Å
260I96.3Very high96.6Very high8 Ų828.8 Ų28.84%0.04114%0.141CC..  trans-78.7106.1-179.7-55171.6000109.4A229 A256 G258 D265 A266 I289 L294A229-I260 HydrophobicContact CB-CD1 4.31Å; A229-I260 HydrophobicContact CB-CG1 4.46Å; A256-I260 HydrophobicContact CB-CD1 3.69Å; G258-I260 PolarHBondContact O-N 3.27Å; I260-D265 HydrophobicContact CB-CB 4.28Å; I260-D265 HydrophobicContact CG2-CB 3.75Å; I260-A266 HydrophobicContact CG2-CB 3.96Å; I260-I289 HydrophobicContact CD1-CD1 4.16Å; I260-I289 HydrophobicContact CD1-CG2 4.01Å; I260-I289 HydrophobicContact CG2-CG2 4.11Å; I260-L294 HydrophobicContact CG2-CD1 4.5Å; I260-L294 HydrophobicContact CG2-CD2 3.94Å
261R94.5Very high96.7Very high170 Ų17026 Ų2664%0.64213%0.13SC*.  trans-117-28.1-172.9-64.9-174.8-176.1103.8-3.7113.6G259 D265 D297G259-R261 PolarHBondContact O-N 2.95Å; R261-D265 PolarHBondContact N-OD2 2.89Å; R261-D297 WeakPolarHBondContact O-CB 3.46Å
262C96.3Very high96.8Very high39 Ų3920.7 Ų20.726%0.26411%0.111SC..SBendtrans-125169.4178.769.90000113.3D264 D265 A266 L294 D297C262-D264 VanDerWaalsContact C-N 3.31Å; C262-D264 PolarHBondContact O-N 3.46Å; C262-D265 PolarHBondContact N-OD2 3.18Å; C262-D265 VanDerWaalsContact N-OD2 3.15Å; C262-D265 WeakPolarHBondContact O-CB 3.44Å; C262-D265 PolarHBondContact O-N 2.84Å; C262-D265 VanDerWaalsContact SG-CG 3.51Å; C262-D265 PolarHBondContact SG-OD2 3.38Å; C262-A266 PolarHBondContact O-N 3.48Å; C262-L294 WeakPolarHBondContact O-CD1 3.26Å; C262-D297 WeakPolarHBondContact CA-OD2 3.27Å; C262-D297 WeakPolarHBondContact CB-OD2 3.33Å
263L96.4Very high96.8Very high13 Ų1320.7 Ų20.77%0.06811%0.11CC..Hα-helixtrans-54.7-43.5179.3-179.860.3000112.7A48 I51 D265 A266 L267 D297 I298A48-L263 HydrophobicContact CB-CD1 3.72Å; A48-L263 HydrophobicContact CB-CD2 3.84Å; A48-L263 HydrophobicContact CB-CG 4.44Å; I51-L263 HydrophobicContact CG1-CD1 4.38Å; L263-D265 VanDerWaalsContact C-N 3.33Å; L263-D265 PolarHBondContact O-N 3.4Å; L263-A266 WeakPolarHBondContact O-CA 3.46Å; L263-A266 WeakPolarHBondContact O-CB 3.35Å; L263-A266 PolarHBondContact O-N 2.93Å; L263-L267 HydrophobicContact CD1-CD1 4.18Å; L263-L267 HydrophobicContact CD1-CD2 4.08Å; L263-L267 HydrophobicContact CD1-CG 3.86Å; L263-L267 HydrophobicContact CD2-CD1 4.26Å; L263-L267 HydrophobicContact CG-CD1 3.8Å; L263-L267 HydrophobicContact CG-CG 3.94Å; L263-L267 WeakPolarHBondContact O-CG 3.48Å; L263-L267 PolarHBondContact O-N 3.13Å; L263-D297 PolarHBondContact N-OD2 2.87Å; L263-I298 HydrophobicContact CB-CG1 4.49Å; L263-I298 HydrophobicContact CD1-CD1 4.31Å; L263-I298 HydrophobicContact CD1-CG1 4.3Å
264D96.1Very high96.6Very high66 Ų6623 Ų2335%0.35312%0.121SC..Hα-helixtrans-63.9-36.9-179.9-77-23.9000112.9L36 R44 C262 A266 L267 I268L36-D264 HydrophobicContact CD2-CB 4.44Å; R44-D264 IonicContact CZ-OD1 2.73Å; R44-D264 IonicContact NH1-OD1 2.72Å; R44-D264 PolarHBondContact NH1-OD1 2.97Å; R44-D264 IonicContact NH2-OD1 3.78Å; R44-D264 PolarHBondContact NH2-OD1 3.34Å; R44-D264 IonicContact NH2-OD2 2.73Å; R44-D264 PolarHBondContact NH2-OD2 3.38Å; C262-D264 VanDerWaalsContact C-N 3.31Å; C262-D264 PolarHBondContact O-N 3.46Å; D264-A266 PolarHBondContact O-N 3.26Å; D264-L267 PolarHBondContact O-N 3.07Å; D264-I268 PolarHBondContact O-N 2.94Å
265D95.9Very high96.3Very high61 Ų6127.8 Ų27.833%0.32614%0.143SC..Hα-helixtrans-59.4-38.1172.8-63.4-30.1000110.6I260 R261 C262 L263 I268 H269I260-D265 HydrophobicContact CB-CB 4.28Å; I260-D265 HydrophobicContact CG2-CB 3.75Å; R261-D265 PolarHBondContact N-OD2 2.89Å; C262-D265 PolarHBondContact N-OD2 3.18Å; C262-D265 VanDerWaalsContact N-OD2 3.15Å; C262-D265 WeakPolarHBondContact O-CB 3.44Å; C262-D265 PolarHBondContact O-N 2.84Å; C262-D265 VanDerWaalsContact SG-CG 3.51Å; C262-D265 PolarHBondContact SG-OD2 3.38Å; L263-D265 VanDerWaalsContact C-N 3.33Å; L263-D265 PolarHBondContact O-N 3.4Å; D265-I268 WeakPolarHBondContact O-CG2 3.19Å; D265-H269 PolarHBondContact O-CD2 3.37Å
266A98Very high96.1Very high0 Ų028.6 Ų28.60%015%0.147CC..Hα-helixtrans-76.8-40.9179.400000112.3I51 I260 C262 L263 D264 I268 H269 Y270 I289 L294I51-A266 HydrophobicContact CD1-CB 4.15Å; I51-A266 HydrophobicContact CG1-CB 4.29Å; I51-A266 HydrophobicContact CG2-CB 3.91Å; I260-A266 HydrophobicContact CG2-CB 3.96Å; C262-A266 PolarHBondContact O-N 3.48Å; L263-A266 WeakPolarHBondContact O-CA 3.46Å; L263-A266 WeakPolarHBondContact O-CB 3.35Å; L263-A266 PolarHBondContact O-N 2.93Å; D264-A266 PolarHBondContact O-N 3.26Å; A266-I268 VanDerWaalsContact C-N 3.33Å; A266-I268 PolarHBondContact O-N 3.39Å; A266-H269 WeakPolarHBondContact O-CB 3.4Å; A266-H269 PolarHBondContact O-N 3.45Å; A266-Y270 PolarHBondContact O-N 3.49Å; A266-Y270 VanDerWaalsContact O-N 3.08Å; A266-I289 HydrophobicContact CB-CG1 4.49Å; A266-L294 HydrophobicContact CB-CD1 4.35Å; A266-L294 HydrophobicContact CB-CD2 3.77Å
267L97.6Very high95.9Very high0 Ų029.7 Ų29.70%015%0.153CC..Hα-helixtrans-64.2-36.1-176.8-71.6-179.3000112.3L36 L39 L47 I51 L263 D264 H269 Y270 L271L36-L267 HydrophobicContact CD1-CB 3.5Å; L36-L267 HydrophobicContact CD1-CD1 3.81Å; L36-L267 HydrophobicContact CD1-CG 4.32Å; L39-L267 HydrophobicContact CD1-CD1 3.97Å; L47-L267 HydrophobicContact CB-CD2 3.57Å; L47-L267 HydrophobicContact CD1-CD2 3.99Å; L47-L267 HydrophobicContact CG-CD2 4.35Å; I51-L267 HydrophobicContact CG1-CD2 4.27Å; L263-L267 HydrophobicContact CD1-CD1 4.18Å; L263-L267 HydrophobicContact CD1-CD2 4.08Å; L263-L267 HydrophobicContact CD1-CG 3.86Å; L263-L267 HydrophobicContact CD2-CD1 4.26Å; L263-L267 HydrophobicContact CG-CD1 3.8Å; L263-L267 HydrophobicContact CG-CG 3.94Å; L263-L267 WeakPolarHBondContact O-CG 3.48Å; L263-L267 PolarHBondContact O-N 3.13Å; D264-L267 PolarHBondContact O-N 3.07Å; L267-H269 PolarHBondContact O-N 3.06Å; L267-Y270 WeakPolarHBondContact O-CB 3.23Å; L267-Y270 PolarHBondContact O-N 3.47Å; L267-Y270 VanDerWaalsContact O-N 3.13Å; L267-L271 WeakPolarHBondContact O-CB 3.11Å; L267-L271 VanDerWaalsContact O-CG 3.25Å; L267-L271 WeakPolarHBondContact O-CG 3.32Å; L267-L271 PolarHBondContact O-N 3.32Å
268I96.8Very high95.4Very high9 Ų930.9 Ų30.95%0.04617%0.166CC..Hα-helixtrans-62.5-32.4178-158.271.7000112.2M32 L36 F231 D264 D265 A266 V272M32-I268 HydrophobicContact CB-CD1 3.76Å; L36-I268 HydrophobicContact CD2-CD1 4.23Å; F231-I268 HydrophobicContact CB-CG1 4.38Å; F231-I268 HydrophobicContact CD2-CG1 3.96Å; D264-I268 PolarHBondContact O-N 2.94Å; D265-I268 WeakPolarHBondContact O-CG2 3.19Å; A266-I268 VanDerWaalsContact C-N 3.33Å; A266-I268 PolarHBondContact O-N 3.39Å; I268-V272 PolarHBondContact O-N 2.85Å
269H98.2Very high95.2Very high4 Ų434.4 Ų34.42%0.01918%0.182CC..Hα-helixtrans-75.7-38174.2-64.3-64.5000112.2S234 F254 A256 D265 A266 L267 V272 V273 F287 I289S234-H269 PolarHBondContact OG-CE1 3.07Å; S234-H269 PolarHBondContact OG-ND1 3.19Å; F254-H269 HydrophobicContact CE1-CB 4.41Å; A256-H269 HydrophobicContact CB-CB 3.98Å; D265-H269 PolarHBondContact O-CD2 3.37Å; A266-H269 WeakPolarHBondContact O-CB 3.4Å; A266-H269 PolarHBondContact O-N 3.45Å; L267-H269 PolarHBondContact O-N 3.06Å; H269-V272 VanDerWaalsContact O-CG1 3.27Å; H269-V272 WeakPolarHBondContact O-CG1 3.42Å; H269-V273 WeakPolarHBondContact O-CG2 3.21Å; H269-V273 PolarHBondContact O-N 3.13Å; H269-F287 HydrophobicContact CB-CE2 4.45Å; H269-F287 HydrophobicContact CB-CZ 4.4Å; H269-I289 HydrophobicContact CB-CD1 4.26Å
270Y98.1Very high95.2Very high12 Ų1237.1 Ų37.15%0.04719%0.185CC..Hα-helixtrans-62.1-49.5175.2179.3-81.8000111.5L47 Q50 I51 A266 L267 V272 V273 E274 T282 F287L47-Y270 HydrophobicContact CD2-CD1 4.01Å; L47-Y270 HydrophobicContact CD2-CE1 3.4Å; L47-Y270 HydrophobicContact CD2-CE2 4.27Å; Q50-Y270 HydrophobicContact CG-CE2 3.73Å; I51-Y270 HydrophobicContact CD1-CD2 3.93Å; I51-Y270 HydrophobicContact CD1-CG 4.27Å; A266-Y270 PolarHBondContact O-N 3.49Å; A266-Y270 VanDerWaalsContact O-N 3.08Å; L267-Y270 WeakPolarHBondContact O-CB 3.23Å; L267-Y270 PolarHBondContact O-N 3.47Å; L267-Y270 VanDerWaalsContact O-N 3.13Å; Y270-V272 VanDerWaalsContact C-N 3.33Å; Y270-V272 PolarHBondContact O-N 3.24Å; Y270-V273 PolarHBondContact O-N 3.48Å; Y270-E274 HydrophobicContact CE1-CB 4.3Å; Y270-E274 WeakPolarHBondContact O-CB 3.47Å; Y270-E274 PolarHBondContact O-N 2.78Å; Y270-T282 HydrophobicContact CE1-CG2 4.28Å; Y270-T282 HydrophobicContact CE2-CG2 4Å; Y270-F287 HydrophobicContact CD2-CD1 4.4Å; Y270-F287 AromaticContact CD2-CE1 3.96Å; Y270-F287 HydrophobicContact CD2-CE1 3.96Å
271L96Very high95.2Very high2 Ų237.4 Ų37.41%0.0119%0.186CC..Hα-helixtrans-64.4-36.9-174.8-68.4170000112.2M32 R35 L36 L267 H275M32-L271 HydrophobicContact SD-CB 3.6Å; R35-L271 HydrophobicContact CB-CD1 4.35Å; L36-L271 HydrophobicContact CB-CD1 3.93Å; L36-L271 HydrophobicContact CD1-CD1 4.04Å; L267-L271 WeakPolarHBondContact O-CB 3.11Å; L267-L271 VanDerWaalsContact O-CG 3.25Å; L267-L271 WeakPolarHBondContact O-CG 3.32Å; L267-L271 PolarHBondContact O-N 3.32Å; L271-H275 WeakPolarHBondContact O-CB 3.43Å; L271-H275 PolarHBondContact O-N 3.26Å
272V96.6Very high95.2Very high2 Ų229.3 Ų29.31%0.01216%0.155CC..Hα-helixtrans-70.2-37.6176.371.60000112M32 F231 Y235 I268 H269 Y270 H275 M276M32-V272 HydrophobicContact CG-CB 4.46Å; M32-V272 HydrophobicContact SD-CB 4.47Å; F231-V272 HydrophobicContact CD2-CB 4.29Å; F231-V272 HydrophobicContact CD2-CG2 4.44Å; F231-V272 HydrophobicContact CE2-CB 3.73Å; F231-V272 HydrophobicContact CE2-CG1 4.38Å; F231-V272 HydrophobicContact CE2-CG2 3.6Å; F231-V272 HydrophobicContact CZ-CG2 4.1Å; Y235-V272 HydrophobicContact CD2-CG2 4.45Å; I268-V272 PolarHBondContact O-N 2.85Å; H269-V272 VanDerWaalsContact O-CG1 3.27Å; H269-V272 WeakPolarHBondContact O-CG1 3.42Å; Y270-V272 VanDerWaalsContact C-N 3.33Å; Y270-V272 PolarHBondContact O-N 3.24Å; V272-H275 PolarHBondContact O-N 3.18Å; V272-M276 HydrophobicContact CG2-CG 4.13Å; V272-M276 HydrophobicContact CG2-SD 3.64Å; V272-M276 VanDerWaalsContact O-CB 3.31Å; V272-M276 WeakPolarHBondContact O-CB 3.44Å; V272-M276 WeakPolarHBondContact O-CG 3.32Å; V272-M276 PolarHBondContact O-N 3Å
273V98.2Very high95.1Very high0 Ų030.6 Ų30.60%016%0.156CC..Hα-helixtrans-63.9-51.1174.9164.80000110.2F254 H269 Y270 H275 M276 L277 G278 W281 F287F254-V273 HydrophobicContact CB-CG2 4.35Å; F254-V273 HydrophobicContact CD1-CG2 3.54Å; F254-V273 HydrophobicContact CE1-CG2 4.03Å; F254-V273 HydrophobicContact CG-CG2 4.08Å; H269-V273 WeakPolarHBondContact O-CG2 3.21Å; H269-V273 PolarHBondContact O-N 3.13Å; Y270-V273 PolarHBondContact O-N 3.48Å; V273-H275 VanDerWaalsContact C-N 3.31Å; V273-H275 PolarHBondContact O-N 3.13Å; V273-M276 PolarHBondContact O-N 2.85Å; V273-L277 HydrophobicContact CG1-CD1 4.32Å; V273-L277 WeakPolarHBondContact O-CA 3.34Å; V273-L277 VanDerWaalsContact O-CB 3.25Å; V273-L277 WeakPolarHBondContact O-CB 3.36Å; V273-L277 PolarHBondContact O-N 3.41Å; V273-G278 PolarHBondContact O-N 3.05Å; V273-W281 HydrophobicContact CG1-CB 3.85Å; V273-F287 HydrophobicContact CB-CD2 4.2Å; V273-F287 HydrophobicContact CB-CE2 4.32Å; V273-F287 HydrophobicContact CG1-CD2 4.06Å; V273-F287 HydrophobicContact CG2-CD2 3.79Å; V273-F287 HydrophobicContact CG2-CE2 3.82Å
274E95.5Very high95Very high49 Ų4931.1 Ų31.123%0.22916%0.161CC..Hα-helixtrans-56.7-46.1177-176-166.6-117.400111.6R35 Y270 G278 T282R35-E274 IonicContact CZ-OE2 2.89Å; R35-E274 IonicContact NH1-OE2 3.56Å; R35-E274 PolarHBondContact NH1-OE2 3.08Å; R35-E274 IonicContact NH2-OE2 2.76Å; R35-E274 PolarHBondContact NH2-OE2 3.44Å; Y270-E274 HydrophobicContact CE1-CB 4.3Å; Y270-E274 WeakPolarHBondContact O-CB 3.47Å; Y270-E274 PolarHBondContact O-N 2.78Å; E274-G278 WeakPolarHBondContact O-CA 3.34Å; E274-G278 PolarHBondContact O-N 3.36Å; E274-T282 HydrophobicContact CB-CG2 3.64Å; E274-T282 HydrophobicContact CG-CG2 4.02Å
275H93Very high95Very high101 Ų10132 Ų3247%0.46817%0.165SC..Hα-helixtrans-67.4-43.1-178-179.668.1000113.1Y31 M32 L271 V272 V273Y31-H275 AromaticContact CE1-CE1 3.56Å; Y31-H275 AromaticContact CE1-ND1 3.71Å; M32-H275 HydrophobicContact CE-CB 3.79Å; M32-H275 HydrophobicContact SD-CB 4.29Å; L271-H275 WeakPolarHBondContact O-CB 3.43Å; L271-H275 PolarHBondContact O-N 3.26Å; V272-H275 PolarHBondContact O-N 3.18Å; V273-H275 VanDerWaalsContact C-N 3.31Å; V273-H275 PolarHBondContact O-N 3.13Å
276M94.2Very high95.1Very high17 Ų1730 Ų308%0.08416%0.155CC..Hα-helixtrans-88.9-29.3-173-65.5-173.773.200113.6Y235 C238 L239 V272 V273Y235-M276 HydrophobicContact CD2-CE 4.1Å; Y235-M276 HydrophobicContact CD2-SD 3.61Å; Y235-M276 HydrophobicContact CE1-CE 4.4Å; Y235-M276 HydrophobicContact CE2-CE 3.83Å; Y235-M276 HydrophobicContact CE2-SD 3.78Å; Y235-M276 HydrophobicContact CG-SD 4.25Å; C238-M276 HydrophobicContact CB-CB 4.18Å; C238-M276 HydrophobicContact CB-CE 4.24Å; C238-M276 HydrophobicContact CB-SD 3.68Å; L239-M276 HydrophobicContact CB-CE 3.93Å; L239-M276 HydrophobicContact CD1-CE 4.45Å; V272-M276 HydrophobicContact CG2-CG 4.13Å; V272-M276 HydrophobicContact CG2-SD 3.64Å; V272-M276 VanDerWaalsContact O-CB 3.31Å; V272-M276 WeakPolarHBondContact O-CB 3.44Å; V272-M276 WeakPolarHBondContact O-CG 3.32Å; V272-M276 PolarHBondContact O-N 3Å; V273-M276 PolarHBondContact O-N 2.85Å
277L94.3Very high95.1Very high22 Ų2230 Ų3012%0.11516%0.155CC..Hα-helixtrans-117.8-19.5-171-53.3179.5000113C238 I241 R242 V273 W281C238-L277 HydrophobicContact CB-CD1 4.35Å; C238-L277 HydrophobicContact CB-CG 4.45Å; C238-L277 WeakPolarHBondContact O-CD2 3.43Å; I241-L277 HydrophobicContact CB-CD1 4.16Å; I241-L277 HydrophobicContact CB-CD2 4.17Å; I241-L277 HydrophobicContact CD1-CD1 4.24Å; I241-L277 HydrophobicContact CG2-CD1 3.84Å; I241-L277 HydrophobicContact CG2-CD2 3.92Å; R242-L277 HydrophobicContact CB-CD2 3.77Å; V273-L277 HydrophobicContact CG1-CD1 4.32Å; V273-L277 WeakPolarHBondContact O-CA 3.34Å; V273-L277 VanDerWaalsContact O-CB 3.25Å; V273-L277 WeakPolarHBondContact O-CB 3.36Å; V273-L277 PolarHBondContact O-N 3.41Å; L277-W281 HydrophobicContact CB-CB 3.61Å; L277-W281 HydrophobicContact CB-CD2 3.83Å; L277-W281 HydrophobicContact CB-CE3 4.23Å; L277-W281 HydrophobicContact CB-CG 3.55Å; L277-W281 HydrophobicContact CD1-CB 4.28Å; L277-W281 HydrophobicContact CD1-CG 3.93Å; L277-W281 HydrophobicContact CG-CG 4.34Å
278G88.3Confident95.2Very high28 Ų2830 Ų3029%0.28916%0.155SC..  trans92.4170.2179.400000114.2V273 E274 E280 W281V273-G278 PolarHBondContact O-N 3.05Å; E274-G278 WeakPolarHBondContact O-CA 3.34Å; E274-G278 PolarHBondContact O-N 3.36Å; G278-E280 VanDerWaalsContact C-N 3.29Å; G278-E280 PolarHBondContact O-N 3.05Å; G278-W281 PolarHBondContact O-N 2.81Å
279D88Confident95.3Very high84 Ų8429.6 Ų29.645%0.44915%0.153SC..G310 helixtrans-62.2-30.2-173.9-178.154.7000113.9W281 T282 K283D279-W281 PolarHBondContact O-N 3.02Å; D279-T282 PolarHBondContact O-N 3.11Å; D279-T282 PolarHBondContact O-OG1 2.87Å; D279-T282 PolarHBondContact OD1-OG1 2.86Å; D279-K283 IonicContact OD1-NZ 3.14Å; D279-K283 PolarHBondContact OD1-NZ 2.99Å; D279-K283 WeakPolarHBondContact OD2-CE 3.46Å; D279-K283 IonicContact OD2-NZ 2.66Å; D279-K283 PolarHBondContact OD2-NZ 2.66Å
280E90.7Very high95.3Very high92 Ų9229.7 Ų29.743%0.4316%0.155SC..G310 helixtrans-57-37.2174.8-172.8-175.5-175.300111.2R251 G278 T282 K283 L286R251-E280 WeakPolarHBondContact CD-OE1 3.42Å; R251-E280 IonicContact CZ-OE1 2.66Å; R251-E280 IonicContact CZ-OE2 3.7Å; R251-E280 IonicContact NE-OE1 2.62Å; R251-E280 PolarHBondContact NE-OE1 3.1Å; R251-E280 IonicContact NE-OE2 2.89Å; R251-E280 PolarHBondContact NE-OE2 3.09Å; R251-E280 IonicContact NH2-OE1 3.86Å; R251-E280 PolarHBondContact NH2-OE1 2.72Å; R251-E280 VanDerWaalsContact NH2-OE1 3.12Å; R251-E280 IonicContact NH2-OE2 3.92Å; R251-E280 PolarHBondContact NH2-OE2 2.75Å; G278-E280 VanDerWaalsContact C-N 3.29Å; G278-E280 PolarHBondContact O-N 3.05Å; E280-T282 VanDerWaalsContact C-N 3.28Å; E280-T282 PolarHBondContact O-N 3.45Å; E280-K283 WeakPolarHBondContact O-CG 3.18Å; E280-L286 HydrophobicContact CG-CD1 4.11Å
281W96.6Very high95.2Very high14 Ų1429.5 Ų29.55%0.05316%0.155CC..G310 helixtrans-74.9-14.2179.7-92.3-98000113.6F245 R251 V252 V273 L277 G278 D279 K283 L286 F287F245-W281 HydrophobicContact CB-CZ2 4.34Å; F245-W281 AromaticContact CD1-CH2 3.91Å; F245-W281 HydrophobicContact CD1-CH2 3.91Å; F245-W281 AromaticContact CD2-CH2 3.86Å; F245-W281 HydrophobicContact CD2-CH2 3.86Å; F245-W281 HydrophobicContact CD2-CZ2 4.03Å; F245-W281 HydrophobicContact CE1-CH2 4.01Å; F245-W281 AromaticContact CE2-CH2 3.98Å; F245-W281 HydrophobicContact CE2-CH2 3.98Å; F245-W281 AromaticContact CG-CH2 3.82Å; F245-W281 HydrophobicContact CG-CH2 3.82Å; F245-W281 HydrophobicContact CG-CZ2 4.03Å; F245-W281 HydrophobicContact CZ-CH2 4.05Å; R251-W281 HydrophobicContact CB-CZ2 4.14Å; R251-W281 HydrophobicContact CG-CH2 3.94Å; R251-W281 HydrophobicContact CG-CZ2 3.81Å; V252-W281 PolarHBondContact O-NE1 3.4Å; V252-W281 VanDerWaalsContact O-NE1 3.17Å; V273-W281 HydrophobicContact CG1-CB 3.85Å; L277-W281 HydrophobicContact CB-CB 3.61Å; L277-W281 HydrophobicContact CB-CD2 3.83Å; L277-W281 HydrophobicContact CB-CE3 4.23Å; L277-W281 HydrophobicContact CB-CG 3.55Å; L277-W281 HydrophobicContact CD1-CB 4.28Å; L277-W281 HydrophobicContact CD1-CG 3.93Å; L277-W281 HydrophobicContact CG-CG 4.34Å; G278-W281 PolarHBondContact O-N 2.81Å; D279-W281 PolarHBondContact O-N 3.02Å; W281-K283 PolarHBondContact O-N 3.28Å; W281-L286 HydrophobicContact CB-CB 4.44Å; W281-L286 HydrophobicContact CD2-CD1 4.03Å; W281-L286 HydrophobicContact CG-CB 4.17Å; W281-L286 HydrophobicContact CG-CD1 4.11Å; W281-L286 CarbonylContact O-C 3.54Å; W281-F287 WeakPolarHBondContact O-CB 3.46Å; W281-F287 PolarHBondContact O-N 3.25Å
282T94.9Very high95.2Very high0 Ų033.8 Ų33.80%019%0.185CC..G310 helixtrans-79.7-3.1179.172.10000113Q50 C54 Y270 E274 D279 E280Q50-T282 PolarHBondContact NE2-O 3.35Å; C54-T282 PolarHBondContact SG-O 3.02Å; C54-T282 VanDerWaalsContact SG-O 3.34Å; Y270-T282 HydrophobicContact CE1-CG2 4.28Å; Y270-T282 HydrophobicContact CE2-CG2 4Å; E274-T282 HydrophobicContact CB-CG2 3.64Å; E274-T282 HydrophobicContact CG-CG2 4.02Å; D279-T282 PolarHBondContact O-N 3.11Å; D279-T282 PolarHBondContact O-OG1 2.87Å; D279-T282 PolarHBondContact OD1-OG1 2.86Å; E280-T282 VanDerWaalsContact C-N 3.28Å; E280-T282 PolarHBondContact O-N 3.45Å
283K93.2Very high95.1Very high66 Ų6636 Ų3629%0.28720%0.202SC..SBendtrans-86.1155.3-176.7-50.8-48.7-179.2-152.10112.4D279 E280 W281 D285 L286 F287D279-K283 IonicContact OD1-NZ 3.14Å; D279-K283 PolarHBondContact OD1-NZ 2.99Å; D279-K283 WeakPolarHBondContact OD2-CE 3.46Å; D279-K283 IonicContact OD2-NZ 2.66Å; D279-K283 PolarHBondContact OD2-NZ 2.66Å; E280-K283 WeakPolarHBondContact O-CG 3.18Å; W281-K283 PolarHBondContact O-N 3.28Å; K283-D285 PolarHBondContact O-N 2.85Å; K283-L286 PolarHBondContact O-N 2.94Å; K283-F287 PolarHBondContact O-N 3.15Å
284P95.1Very high95.1Very high25 Ų2536 Ų3616%0.16220%0.202CC..THydrogen-bonded Turntrans-47.1-26.7179.8-3942.4000117.8R53 S95 R288R53-P284 HydrophobicContact CB-CG 4.26Å; R53-P284 WeakPolarHBondContact O-CG 3.31Å; S95-P284 WeakPolarHBondContact OG-CB 3.33Å; P284-R288 PolarHBondContact O-NE 3.31Å; P284-R288 PolarHBondContact O-NH2 3.33Å
285D95.2Very high95.2Very high83 Ų8334 Ų3444%0.44419%0.192SC..THydrogen-bonded Turntrans-85.1-11.7-179.4-73.1-38.9000114.2R121 R187 F217 K283R121-D285 IonicContact CZ-OD1 3.46Å; R121-D285 IonicContact NH1-OD1 2.76Å; R121-D285 PolarHBondContact NH1-OD1 3.37Å; R121-D285 IonicContact NH2-OD1 3.95Å; R121-D285 PolarHBondContact NH2-OD1 3.31Å; R187-D285 IonicContact CZ-OD1 2.75Å; R187-D285 IonicContact NH1-OD1 3.71Å; R187-D285 PolarHBondContact NH1-OD1 3.21Å; R187-D285 IonicContact NH2-OD1 2.73Å; F217-D285 WeakPolarHBondContact CE2-O 3.39Å; F217-D285 WeakPolarHBondContact CZ-O 3.39Å; K283-D285 PolarHBondContact O-N 2.85Å
286L98.1Very high95.3Very high21 Ų2135.8 Ų35.811%0.1120%0.198CC..THydrogen-bonded Turntrans-131.8-11.3-178.4-65.6175.2000114.1R251 G253 F254 E280 W281 K283R251-L286 HydrophobicContact CB-CD1 4.46Å; R251-L286 HydrophobicContact CB-CD2 3.82Å; G253-L286 CarbonylContact C-O 3.53Å; G253-L286 WeakPolarHBondContact CA-O 3.42Å; F254-L286 PolarHBondContact N-O 3.11Å; E280-L286 HydrophobicContact CG-CD1 4.11Å; W281-L286 HydrophobicContact CB-CB 4.44Å; W281-L286 HydrophobicContact CD2-CD1 4.03Å; W281-L286 HydrophobicContact CG-CB 4.17Å; W281-L286 HydrophobicContact CG-CD1 4.11Å; W281-L286 CarbonylContact O-C 3.54Å; K283-L286 PolarHBondContact O-N 2.94Å
287F98.6Very high95.4Very high0 Ų038 Ų380%021%0.211CC..EExtended strand (participates in β ladder)trans-133.2134.4173.8177.4-107000111.7I51 C54 F254 H269 Y270 V273 W281 K283 I289I51-F287 HydrophobicContact CD1-CE1 3.97Å; C54-F287 HydrophobicContact CB-CD1 3.71Å; C54-F287 HydrophobicContact CB-CE1 4.22Å; C54-F287 WeakPolarHBondContact CB-O 3.29Å; F254-F287 AromaticContact CD1-CD2 3.76Å; F254-F287 HydrophobicContact CD1-CD2 3.76Å; F254-F287 AromaticContact CD1-CE2 3.74Å; F254-F287 HydrophobicContact CD1-CE2 3.74Å; F254-F287 HydrophobicContact CE1-CD2 4.5Å; F254-F287 HydrophobicContact CE1-CE2 4.03Å; F254-F287 CarbonylContact O-C 3.48Å; F254-F287 WeakPolarHBondContact O-CA 3.49Å; H269-F287 HydrophobicContact CB-CE2 4.45Å; H269-F287 HydrophobicContact CB-CZ 4.4Å; Y270-F287 HydrophobicContact CD2-CD1 4.4Å; Y270-F287 AromaticContact CD2-CE1 3.96Å; Y270-F287 HydrophobicContact CD2-CE1 3.96Å; V273-F287 HydrophobicContact CB-CD2 4.2Å; V273-F287 HydrophobicContact CB-CE2 4.32Å; V273-F287 HydrophobicContact CG1-CD2 4.06Å; V273-F287 HydrophobicContact CG2-CD2 3.79Å; V273-F287 HydrophobicContact CG2-CE2 3.82Å; W281-F287 WeakPolarHBondContact O-CB 3.46Å; W281-F287 PolarHBondContact O-N 3.25Å; K283-F287 PolarHBondContact O-N 3.15Å; F287-I289 HydrophobicContact CE1-CD1 4.05Å; F287-I289 HydrophobicContact CE1-CG1 3.92Å; F287-I289 HydrophobicContact CE2-CD1 4.19Å; F287-I289 HydrophobicContact CZ-CD1 3.5Å; F287-I289 VanDerWaalsContact CZ-CD1 3.5Å; F287-I289 HydrophobicContact CZ-CG1 3.91Å
288R98.8Very high95.5Very high0 Ų037 Ų370%021%0.205CC..EExtended strand (participates in β ladder)trans-136.6148.9174.9-64.1-64.5-175.572.410.9112.3C54 D56 S95 E153 F217 F254 K255 A256 P284C54-R288 CarbonylContact O-C 3.58Å; C54-R288 WeakPolarHBondContact O-CA 3.49Å; C54-R288 WeakPolarHBondContact O-CD 3.27Å; D56-R288 VanDerWaalsContact OD1-CD 3.26Å; D56-R288 WeakPolarHBondContact OD1-CD 3.43Å; D56-R288 IonicContact OD1-CZ 2.88Å; D56-R288 IonicContact OD1-NE 3.62Å; D56-R288 IonicContact OD1-NH1 3.28Å; D56-R288 PolarHBondContact OD1-NH1 3.19Å; D56-R288 IonicContact OD2-NH1 3.54Å; S95-R288 VanDerWaalsContact CB-NE 3.33Å; S95-R288 PolarHBondContact OG-NE 3.47Å; E153-R288 IonicContact OE1-CZ 3.72Å; E153-R288 IonicContact OE1-NH1 3.67Å; E153-R288 PolarHBondContact OE1-NH1 3.19Å; E153-R288 IonicContact OE1-NH2 2.73Å; E153-R288 PolarHBondContact OE1-NH2 3.06Å; E153-R288 IonicContact OE2-CZ 3.21Å; E153-R288 IonicContact OE2-NH1 2.67Å; E153-R288 PolarHBondContact OE2-NH1 2.92Å; E153-R288 IonicContact OE2-NH2 2.85Å; F217-R288 HydrophobicContact CD1-CG 4.39Å; F217-R288 HydrophobicContact CE1-CB 4.22Å; F217-R288 HydrophobicContact CE1-CG 3.64Å; F217-R288 HydrophobicContact CZ-CG 3.95Å; F254-R288 PolarHBondContact O-N 3.37Å; K255-R288 CarbonylContact C-O 3.15Å; K255-R288 VanDerWaalsContact CA-O 3.23Å; K255-R288 WeakPolarHBondContact CA-O 3.1Å; K255-R288 HydrophobicContact CB-CB 3.91Å; K255-R288 HydrophobicContact CD-CB 3.81Å; K255-R288 HydrophobicContact CG-CB 3.67Å; A256-R288 PolarHBondContact N-O 2.88Å; P284-R288 PolarHBondContact O-NE 3.31Å; P284-R288 PolarHBondContact O-NH2 3.33Å
289I98.7Very high95.8Very high0 Ų036.1 Ų36.10%019%0.194CC..EExtended strand (participates in β ladder)trans-111.8125.6163.1-62.4-60.7000108.2I51 C54 L55 D56 A256 I260 A266 H269 F287 A291 L294I51-I289 HydrophobicContact CD1-CG1 4.42Å; I51-I289 HydrophobicContact CG2-CG1 4.46Å; C54-I289 PolarHBondContact O-N 2.89Å; L55-I289 HydrophobicContact CD1-CB 4.23Å; L55-I289 HydrophobicContact CD1-CG2 4.08Å; L55-I289 WeakPolarHBondContact CD1-O 3.39Å; D56-I289 PolarHBondContact N-O 2.65Å; A256-I289 HydrophobicContact CB-CD1 3.86Å; A256-I289 CarbonylContact O-C 3.5Å; A256-I289 WeakPolarHBondContact O-CA 3.38Å; I260-I289 HydrophobicContact CD1-CD1 4.16Å; I260-I289 HydrophobicContact CD1-CG2 4.01Å; I260-I289 HydrophobicContact CG2-CG2 4.11Å; A266-I289 HydrophobicContact CB-CG1 4.49Å; H269-I289 HydrophobicContact CB-CD1 4.26Å; F287-I289 HydrophobicContact CE1-CD1 4.05Å; F287-I289 HydrophobicContact CE1-CG1 3.92Å; F287-I289 HydrophobicContact CE2-CD1 4.19Å; F287-I289 HydrophobicContact CZ-CD1 3.5Å; F287-I289 VanDerWaalsContact CZ-CD1 3.5Å; F287-I289 HydrophobicContact CZ-CG1 3.91Å; I289-A291 HydrophobicContact CG2-CB 4.13Å; I289-L294 HydrophobicContact CG2-CD2 3.66Å
290G98.3Very high96Very high6 Ų636 Ų366%0.06219%0.194CC..EExtended strand (participates in β ladder)trans-97.6104.2171.400000110.7A256 A257 G258A256-G290 PolarHBondContact O-N 3.34Å; A257-G290 WeakPolarHBondContact CA-O 3.4Å; G258-G290 PolarHBondContact N-O 2.78Å
291A97.7Very high96Very high7 Ų734 Ų346%0.05819%0.19CC..EExtended strand (participates in β ladder)trans-144.9151.3-178.700000112.4L55 D56 T58 I289 L294L55-A291 HydrophobicContact CD1-CB 4.07Å; D56-A291 PolarHBondContact O-N 2.75Å; T58-A291 PolarHBondContact N-O 3.03Å; I289-A291 HydrophobicContact CG2-CB 4.13Å; A291-L294 HydrophobicContact CB-CB 3.55Å; A291-L294 HydrophobicContact CB-CD2 4.28Å
292S96Very high95.6Very high92 Ų9233.3 Ų33.364%0.64319%0.187SC*.SBendtrans-104.2-26.6176.956.80000113.2T58T58-S292 WeakPolarHBondContact O-CA 3.42Å; T58-S292 WeakPolarHBondContact O-CB 3.46Å
293S94.6Very high95.2Very high50 Ų5036.5 Ų36.535%0.3521%0.214SC..SBendtrans-115.2-16.2-17661.90000114.8L295 K296S293-L295 VanDerWaalsContact C-N 3.29Å; S293-L295 PolarHBondContact O-N 3Å; S293-K296 PolarHBondContact O-N 2.98Å
294L97.6Very high94.6Very high0 Ų038.4 Ų38.40%023%0.227CC..Hα-helixtrans-58-39.5-176.7175.862.9000112.7I51 L55 I260 C262 A266 I289 A291 K296 D297 I298I51-L294 HydrophobicContact CG2-CD2 3.88Å; L55-L294 HydrophobicContact CD1-CD2 4.25Å; I260-L294 HydrophobicContact CG2-CD1 4.5Å; I260-L294 HydrophobicContact CG2-CD2 3.94Å; C262-L294 WeakPolarHBondContact O-CD1 3.26Å; A266-L294 HydrophobicContact CB-CD1 4.35Å; A266-L294 HydrophobicContact CB-CD2 3.77Å; I289-L294 HydrophobicContact CG2-CD2 3.66Å; A291-L294 HydrophobicContact CB-CB 3.55Å; A291-L294 HydrophobicContact CB-CD2 4.28Å; L294-K296 PolarHBondContact O-N 3.3Å; L294-D297 WeakPolarHBondContact O-CB 3.36Å; L294-D297 PolarHBondContact O-N 3.2Å; L294-D297 VanDerWaalsContact O-N 3.11Å; L294-I298 HydrophobicContact CD1-CD1 3.97Å; L294-I298 HydrophobicContact CD1-CG1 4.03Å; L294-I298 HydrophobicContact CD2-CD1 4.2Å; L294-I298 HydrophobicContact CG-CD1 3.77Å; L294-I298 HydrophobicContact CG-CG1 4.23Å; L294-I298 PolarHBondContact O-N 3.12Å
295L97.5Very high93.5Very high5 Ų537.8 Ų37.83%0.02622%0.223CC..Hα-helixtrans-57-41.3-178.9-173.358.6000111.7V52 L55 L57 L75 P79 S293 I298 V299V52-L295 HydrophobicContact CG1-CD1 4.1Å; V52-L295 HydrophobicContact CG2-CD1 3.87Å; L55-L295 HydrophobicContact CD2-CB 3.78Å; L55-L295 HydrophobicContact CD2-CD1 3.95Å; L55-L295 HydrophobicContact CD2-CG 4.3Å; L57-L295 HydrophobicContact CD1-CB 3.88Å; L57-L295 HydrophobicContact CD1-CD2 3.84Å; L57-L295 HydrophobicContact CD2-CD2 3.77Å; L57-L295 HydrophobicContact CG-CD2 4.41Å; L75-L295 HydrophobicContact CD1-CD2 4.15Å; L75-L295 HydrophobicContact CD2-CD2 4.16Å; L75-L295 HydrophobicContact CG-CD2 3.8Å; P79-L295 HydrophobicContact CB-CD1 3.73Å; P79-L295 HydrophobicContact CB-CD2 4.03Å; P79-L295 HydrophobicContact CB-CG 4.35Å; S293-L295 VanDerWaalsContact C-N 3.29Å; S293-L295 PolarHBondContact O-N 3Å; L295-I298 PolarHBondContact O-N 2.85Å; L295-V299 HydrophobicContact CD1-CG2 4.1Å; L295-V299 HydrophobicContact CG-CG2 4.19Å; L295-V299 WeakPolarHBondContact O-CB 3.34Å; L295-V299 WeakPolarHBondContact O-CG2 3.44Å; L295-V299 PolarHBondContact O-N 3.37Å
296K95.7Very high92.1Very high139 Ų13938.2 Ų38.260%0.60423%0.23SC*.Hα-helixtrans-63.1-45.9178.8-177-176.9175.9-61.50110.9S293 L294 I298 V299 D300S293-K296 PolarHBondContact O-N 2.98Å; L294-K296 PolarHBondContact O-N 3.3Å; K296-I298 VanDerWaalsContact C-N 3.34Å; K296-I298 PolarHBondContact O-N 2.85Å; K296-V299 PolarHBondContact O-N 3.15Å; K296-D300 IonicContact NZ-OD2 2.81Å; K296-D300 PolarHBondContact NZ-OD2 3.38Å; K296-D300 VanDerWaalsContact O-CB 3.26Å; K296-D300 WeakPolarHBondContact O-CB 3.48Å; K296-D300 PolarHBondContact O-N 3.1Å
297D96.2Very high90Very high64 Ų6442.2 Ų42.234%0.34224%0.244SC..Hα-helixtrans-59.5-45.7177.1-175.780.2000111.5R261 C262 L263 L294 D300 S301R261-D297 WeakPolarHBondContact O-CB 3.46Å; C262-D297 WeakPolarHBondContact CA-OD2 3.27Å; C262-D297 WeakPolarHBondContact CB-OD2 3.33Å; L263-D297 PolarHBondContact N-OD2 2.87Å; L294-D297 WeakPolarHBondContact O-CB 3.36Å; L294-D297 PolarHBondContact O-N 3.2Å; L294-D297 VanDerWaalsContact O-N 3.11Å; D297-D300 PolarHBondContact O-N 3.35Å; D297-S301 PolarHBondContact O-N 3.39Å
298I96.5Very high87.6Confident0 Ų044.9 Ų44.90%027%0.272CS..Hα-helixtrans-61.4-53.2176.7-68.9175.6000110.3A48 I51 V52 F80 L263 L294 L295 K296 D300 S301 F302A48-I298 HydrophobicContact CB-CG2 3.97Å; I51-I298 HydrophobicContact CB-CD1 4.17Å; I51-I298 HydrophobicContact CG2-CD1 3.61Å; V52-I298 HydrophobicContact CG2-CB 4.46Å; V52-I298 HydrophobicContact CG2-CD1 4.12Å; V52-I298 HydrophobicContact CG2-CG2 3.77Å; F80-I298 HydrophobicContact CE1-CG2 4.33Å; F80-I298 HydrophobicContact CZ-CG2 3.99Å; L263-I298 HydrophobicContact CB-CG1 4.49Å; L263-I298 HydrophobicContact CD1-CD1 4.31Å; L263-I298 HydrophobicContact CD1-CG1 4.3Å; L294-I298 HydrophobicContact CD1-CD1 3.97Å; L294-I298 HydrophobicContact CD1-CG1 4.03Å; L294-I298 HydrophobicContact CD2-CD1 4.2Å; L294-I298 HydrophobicContact CG-CD1 3.77Å; L294-I298 HydrophobicContact CG-CG1 4.23Å; L294-I298 PolarHBondContact O-N 3.12Å; L295-I298 PolarHBondContact O-N 2.85Å; K296-I298 VanDerWaalsContact C-N 3.34Å; K296-I298 PolarHBondContact O-N 2.85Å; I298-D300 VanDerWaalsContact C-N 3.3Å; I298-D300 PolarHBondContact O-N 2.8Å; I298-S301 WeakPolarHBondContact O-CA 3.42Å; I298-S301 WeakPolarHBondContact O-CB 3.15Å; I298-S301 PolarHBondContact O-N 2.63Å; I298-S301 PolarHBondContact O-OG 3.44Å; I298-F302 HydrophobicContact CG2-CD2 4.47Å; I298-F302 HydrophobicContact CG2-CE2 4.06Å; I298-F302 VanDerWaalsContact O-CD2 3.28Å; I298-F302 WeakPolarHBondContact O-CD2 3.45Å
299V93.3Very high85.4Confident10 Ų1047.4 Ų47.46%0.06128%0.282CS..Hα-helixtrans-59-41.8-178.9171.60000111.5P79 F80 I83 L295 K296 S301 F302P79-V299 VanDerWaalsContact O-CG2 3.26Å; P79-V299 WeakPolarHBondContact O-CG2 3.23Å; F80-V299 HydrophobicContact CD1-CB 4.42Å; F80-V299 HydrophobicContact CD1-CG1 4.43Å; F80-V299 HydrophobicContact CD1-CG2 3.87Å; F80-V299 HydrophobicContact CE1-CB 4.43Å; F80-V299 HydrophobicContact CE1-CG2 3.89Å; F80-V299 HydrophobicContact CG-CG2 4.44Å; F80-V299 HydrophobicContact CZ-CG2 4.45Å; I83-V299 HydrophobicContact CD1-CG1 4.24Å; I83-V299 HydrophobicContact CG1-CG1 3.69Å; L295-V299 HydrophobicContact CD1-CG2 4.1Å; L295-V299 HydrophobicContact CG-CG2 4.19Å; L295-V299 WeakPolarHBondContact O-CB 3.34Å; L295-V299 WeakPolarHBondContact O-CG2 3.44Å; L295-V299 PolarHBondContact O-N 3.37Å; K296-V299 PolarHBondContact O-N 3.15Å; V299-S301 PolarHBondContact O-N 2.82Å; V299-F302 PolarHBondContact O-N 3.24Å; V299-F302 VanDerWaalsContact O-N 3.13Å
300D92.5Very high83.6Confident82 Ų8248.8 Ų48.844%0.43929%0.29SS..Hα-helixtrans-63-30176.7-71.8-17.4000111.5K296 D297 I298 F302 A303K296-D300 IonicContact NZ-OD2 2.81Å; K296-D300 PolarHBondContact NZ-OD2 3.38Å; K296-D300 VanDerWaalsContact O-CB 3.26Å; K296-D300 WeakPolarHBondContact O-CB 3.48Å; K296-D300 PolarHBondContact O-N 3.1Å; D297-D300 PolarHBondContact O-N 3.35Å; I298-D300 VanDerWaalsContact C-N 3.3Å; I298-D300 PolarHBondContact O-N 2.8Å; D300-F302 PolarHBondContact O-N 2.98Å; D300-A303 WeakPolarHBondContact O-CB 3.49Å; D300-A303 PolarHBondContact O-N 2.73Å; D300-A303 VanDerWaalsContact O-N 3.1Å
301S90.8Very high82Confident49 Ų4948.6 Ų48.634%0.34329%0.287SS..Hα-helixtrans-71.2-12.2176.980.50000114.4D297 I298 V299D297-S301 PolarHBondContact O-N 3.39Å; I298-S301 WeakPolarHBondContact O-CA 3.42Å; I298-S301 WeakPolarHBondContact O-CB 3.15Å; I298-S301 PolarHBondContact O-N 2.63Å; I298-S301 PolarHBondContact O-OG 3.44Å; V299-S301 PolarHBondContact O-N 2.82Å
302F88.6Confident80.2Confident0 Ų049.4 Ų49.40%030%0.297CS..THydrogen-bonded Turntrans-98.35.1171.3-71.1-102000112.7R45 A48 L49 F80 I83 F84 I298 V299 D300 D304 V305 F314R45-F302 HydrophobicContact CB-CE1 4.01Å; R45-F302 HydrophobicContact CB-CZ 3.95Å; R45-F302 HydrophobicContact CG-CE1 4.04Å; R45-F302 HydrophobicContact CG-CZ 4.09Å; A48-F302 HydrophobicContact CB-CE2 3.88Å; A48-F302 HydrophobicContact CB-CZ 4.13Å; L49-F302 HydrophobicContact CD2-CE1 3.93Å; L49-F302 HydrophobicContact CD2-CE2 4.12Å; L49-F302 HydrophobicContact CD2-CZ 3.52Å; L49-F302 HydrophobicContact CG-CE1 4.28Å; L49-F302 HydrophobicContact CG-CZ 3.86Å; F80-F302 AromaticContact CE1-CD2 3.69Å; F80-F302 HydrophobicContact CE1-CD2 3.69Å; F80-F302 HydrophobicContact CE1-CE2 4.05Å; F80-F302 HydrophobicContact CE1-CG 4.1Å; F80-F302 HydrophobicContact CZ-CD2 4.37Å; F80-F302 HydrophobicContact CZ-CE2 4.27Å; I83-F302 HydrophobicContact CG2-CB 4.33Å; F84-F302 HydrophobicContact CZ-CD1 4.4Å; I298-F302 HydrophobicContact CG2-CD2 4.47Å; I298-F302 HydrophobicContact CG2-CE2 4.06Å; I298-F302 VanDerWaalsContact O-CD2 3.28Å; I298-F302 WeakPolarHBondContact O-CD2 3.45Å; V299-F302 PolarHBondContact O-N 3.24Å; V299-F302 VanDerWaalsContact O-N 3.13Å; D300-F302 PolarHBondContact O-N 2.98Å; F302-D304 PolarHBondContact O-N 2.67Å; F302-V305 HydrophobicContact CB-CG2 4.22Å; F302-V305 HydrophobicContact CD1-CG2 4.06Å; F302-V305 VanDerWaalsContact O-CB 3.3Å; F302-V305 WeakPolarHBondContact O-CB 3.42Å; F302-V305 WeakPolarHBondContact O-CG2 3.39Å; F302-V305 PolarHBondContact O-N 2.82Å; F302-V305 VanDerWaalsContact O-N 3.12Å; F302-F314 HydrophobicContact CD1-CD2 4.21Å; F302-F314 AromaticContact CD1-CE2 3.83Å; F302-F314 HydrophobicContact CD1-CE2 3.83Å; F302-F314 HydrophobicContact CD1-CZ 4.47Å; F302-F314 AromaticContact CE1-CD2 3.79Å; F302-F314 HydrophobicContact CE1-CD2 3.79Å; F302-F314 AromaticContact CE1-CE2 3.81Å; F302-F314 HydrophobicContact CE1-CE2 3.81Å; F302-F314 HydrophobicContact CE1-CG 4.36Å; F302-F314 HydrophobicContact CE1-CZ 4.41Å
303A85.9Confident78.5Confident68 Ų6850.4 Ų50.456%0.56229%0.291SS*.THydrogen-bonded Turntrans-67-19.9-175.600000114.2I83 D300I83-A303 HydrophobicContact CD1-CB 4.49Å; D300-A303 WeakPolarHBondContact O-CB 3.49Å; D300-A303 PolarHBondContact O-N 2.73Å; D300-A303 VanDerWaalsContact O-N 3.1Å
304D81.2Confident77.1Confident106 Ų10648.5 Ų48.557%0.56728%0.277SS*.THydrogen-bonded Turntrans-83.3-14.9176.270.5-43.1000113.2R45 F302R45-D304 IonicContact CZ-OD2 3.55Å; R45-D304 IonicContact NH2-OD1 3.72Å; R45-D304 PolarHBondContact NH2-OD1 2.77Å; R45-D304 IonicContact NH2-OD2 2.7Å; R45-D304 PolarHBondContact NH2-OD2 3.17Å; F302-D304 PolarHBondContact O-N 2.67Å
305V72.6Confident75.4Confident12 Ų1250.6 Ų50.67%0.07329%0.288CS..SBendtrans-63.4130.9177.9178.70000110F84 F302 R307 F309 F314F84-V305 HydrophobicContact CE1-CG1 4.22Å; F84-V305 HydrophobicContact CZ-CG1 4.48Å; F302-V305 HydrophobicContact CB-CG2 4.22Å; F302-V305 HydrophobicContact CD1-CG2 4.06Å; F302-V305 VanDerWaalsContact O-CB 3.3Å; F302-V305 WeakPolarHBondContact O-CB 3.42Å; F302-V305 WeakPolarHBondContact O-CG2 3.39Å; F302-V305 PolarHBondContact O-N 2.82Å; F302-V305 VanDerWaalsContact O-N 3.12Å; V305-R307 PolarHBondContact O-N 2.82Å; V305-F309 HydrophobicContact CG1-CB 3.31Å; V305-F309 HydrophobicContact CG1-CD1 3.55Å; V305-F309 HydrophobicContact CG1-CD2 4.18Å; V305-F309 HydrophobicContact CG1-CE1 4.43Å; V305-F309 HydrophobicContact CG1-CG 3.4Å; V305-F314 HydrophobicContact CG1-CE2 4.08Å; V305-F314 HydrophobicContact CG1-CZ 4.23Å; V305-F314 HydrophobicContact CG2-CE2 3.94Å; V305-F314 HydrophobicContact CG2-CZ 3.77Å
306P64.5Low73Confident91 Ų9155.2 Ų55.259%0.59131%0.313SS*.  trans-54.9138.1-179.6-26.234.3000112.6G308 F309P306-G308 PolarHBondContact O-N 3.14Å; P306-G308 VanDerWaalsContact O-N 3.07Å; P306-F309 VanDerWaalsContact O-CB 3.24Å; P306-F309 WeakPolarHBondContact O-CB 3.18Å; P306-F309 PolarHBondContact O-N 3.26Å
307R54Low70.6Confident105 Ų10554.7 Ų54.740%0.39632%0.316SS..THydrogen-bonded Turntrans-65.3113.7175.8-66.8-179.3-163.5-140.3-10.6109.7V305 N546 K549V305-R307 PolarHBondContact O-N 2.82Å; R307-N546 WeakPolarHBondContact CD-OD1 3.26Å; R307-N546 PolarHBondContact NE-OD1 3.05Å; R307-K549 VanDerWaalsContact NH2-CE 3.34Å
308G48Very low68.7Low57 Ų5757 Ų5759%0.58833%0.325SS*.THydrogen-bonded Turntrans117.9-13.9-17500000113.2P306 N310P306-G308 PolarHBondContact O-N 3.14Å; P306-G308 VanDerWaalsContact O-N 3.07Å; G308-N310 PolarHBondContact O-N 3.06Å
309F53.9Low67.3Low52 Ų5262.5 Ų62.523%0.22835%0.346CS..  trans-58.1128.2167.9-163.5-89.1000109.6F84 V305 P306 E313 F314F84-F309 WeakPolarHBondContact CD1-O 3.37Å; F84-F309 WeakPolarHBondContact CE1-O 3.18Å; V305-F309 HydrophobicContact CG1-CB 3.31Å; V305-F309 HydrophobicContact CG1-CD1 3.55Å; V305-F309 HydrophobicContact CG1-CD2 4.18Å; V305-F309 HydrophobicContact CG1-CE1 4.43Å; V305-F309 HydrophobicContact CG1-CG 3.4Å; P306-F309 VanDerWaalsContact O-CB 3.24Å; P306-F309 WeakPolarHBondContact O-CB 3.18Å; P306-F309 PolarHBondContact O-N 3.26Å; F309-E313 HydrophobicContact CD1-CB 4.45Å; F309-E313 HydrophobicContact CE1-CB 3.58Å; F309-E313 HydrophobicContact CE1-CG 4.46Å; F309-E313 HydrophobicContact CE2-CB 4.3Å; F309-E313 WeakPolarHBondContact CE2-OE2 3.48Å; F309-E313 HydrophobicContact CZ-CB 3.5Å; F309-E313 HydrophobicContact CZ-CG 4.31Å; F309-E313 VanDerWaalsContact CZ-OE2 3.24Å; F309-E313 WeakPolarHBondContact CZ-OE2 3.25Å; F309-F314 AromaticContact CD1-CD2 3.97Å; F309-F314 HydrophobicContact CD1-CD2 3.97Å; F309-F314 AromaticContact CD1-CE2 3.4Å; F309-F314 HydrophobicContact CD1-CE2 3.4Å; F309-F314 AromaticContact CD1-CZ 3.82Å; F309-F314 HydrophobicContact CD1-CZ 3.82Å; F309-F314 HydrophobicContact CE1-CD1 4.05Å; F309-F314 AromaticContact CE1-CD2 3.41Å; F309-F314 HydrophobicContact CE1-CD2 3.41Å; F309-F314 VanDerWaalsContact CE1-CD2 3.41Å; F309-F314 AromaticContact CE1-CE1 3.72Å; F309-F314 HydrophobicContact CE1-CE1 3.72Å; F309-F314 AromaticContact CE1-CE2 3.05Å; F309-F314 HydrophobicContact CE1-CE2 3.05Å; F309-F314 AromaticContact CE1-CG 3.89Å; F309-F314 HydrophobicContact CE1-CG 3.89Å; F309-F314 AromaticContact CE1-CZ 3.2Å; F309-F314 HydrophobicContact CE1-CZ 3.2Å; F309-F314 HydrophobicContact CZ-CD1 4.33Å; F309-F314 HydrophobicContact CZ-CD2 4.43Å; F309-F314 AromaticContact CZ-CE1 3.84Å; F309-F314 HydrophobicContact CZ-CE1 3.84Å; F309-F314 AromaticContact CZ-CE2 3.98Å; F309-F314 HydrophobicContact CZ-CE2 3.98Å; F309-F314 AromaticContact CZ-CZ 3.64Å; F309-F314 HydrophobicContact CZ-CZ 3.64Å
310N59.4Low66.3Low30 Ų3068.9 Ų68.916%0.1638%0.375CS..  trans-80.9130.5176.8-172.4-10.7000108.5G308 G312 E313 E440G308-N310 PolarHBondContact O-N 3.06Å; N310-G312 PolarHBondContact O-N 3.39Å; N310-G312 VanDerWaalsContact O-N 3.1Å; N310-G312 PolarHBondContact OD1-N 3.47Å; N310-E313 HydrophobicContact CB-CG 4.39Å; N310-E313 WeakPolarHBondContact O-CB 3.47Å; N310-E313 PolarHBondContact O-N 3.42Å; N310-E440 PolarHBondContact ND2-OE1 2.95Å
311I65.9Low66Low1 Ų170.8 Ų70.81%0.00539%0.389CS..G310 helixtrans-57.4-25.7172.8-158.1166.5000111.6L49 F80 F84 G88 L91 I92 E313 F314 L315L49-I311 HydrophobicContact CD1-CD1 4.34Å; L49-I311 HydrophobicContact CD1-CG1 3.77Å; L49-I311 HydrophobicContact CD2-CD1 3.83Å; L49-I311 HydrophobicContact CD2-CG1 4.12Å; F80-I311 HydrophobicContact CD2-CD1 3.85Å; F80-I311 HydrophobicContact CE2-CD1 4.19Å; F80-I311 HydrophobicContact CG-CD1 4.21Å; F84-I311 HydrophobicContact CD2-CB 4.11Å; F84-I311 HydrophobicContact CD2-CD1 3.8Å; F84-I311 HydrophobicContact CD2-CG1 4.29Å; F84-I311 HydrophobicContact CE2-CB 4.04Å; F84-I311 HydrophobicContact CE2-CD1 3.63Å; F84-I311 HydrophobicContact CE2-CG1 3.89Å; F84-I311 HydrophobicContact CZ-CB 4.38Å; F84-I311 HydrophobicContact CZ-CG1 4.42Å; G88-I311 VanDerWaalsContact O-CG2 3.23Å; G88-I311 WeakPolarHBondContact O-CG2 3.4Å; L91-I311 HydrophobicContact CB-CG2 4.29Å; L91-I311 HydrophobicContact CD1-CG2 3.94Å; I92-I311 HydrophobicContact CB-CD1 4.47Å; I92-I311 HydrophobicContact CD1-CD1 3.43Å; I92-I311 VanDerWaalsContact CD1-CD1 3.43Å; I92-I311 HydrophobicContact CD1-CG1 3.87Å; I92-I311 HydrophobicContact CG1-CD1 4.06Å; I311-E313 PolarHBondContact O-N 2.86Å; I311-F314 WeakPolarHBondContact O-CB 3.4Å; I311-F314 PolarHBondContact O-N 2.84Å; I311-L315 PolarHBondContact O-N 3.18Å
312G59.9Low66Low25 Ų2572.2 Ų72.226%0.25839%0.393SS..G310 helixtrans-56.2-28.7171.400000114.3N310 F314 L315N310-G312 PolarHBondContact O-N 3.39Å; N310-G312 VanDerWaalsContact O-N 3.1Å; N310-G312 PolarHBondContact OD1-N 3.47Å; G312-F314 VanDerWaalsContact C-N 3.26Å; G312-F314 PolarHBondContact O-N 3.15Å; G312-L315 CarbonylContact O-C 3.44Å; G312-L315 PolarHBondContact O-N 2.96Å; G312-L315 VanDerWaalsContact O-N 3.13Å
313E60.9Low66.1Low113 Ų11375 Ų7553%0.52841%0.413SS..G310 helixtrans-71.3-21.8175.6-67.2178-139.700112.7F309 N310 I311F309-E313 HydrophobicContact CD1-CB 4.45Å; F309-E313 HydrophobicContact CE1-CB 3.58Å; F309-E313 HydrophobicContact CE1-CG 4.46Å; F309-E313 HydrophobicContact CE2-CB 4.3Å; F309-E313 WeakPolarHBondContact CE2-OE2 3.48Å; F309-E313 HydrophobicContact CZ-CB 3.5Å; F309-E313 HydrophobicContact CZ-CG 4.31Å; F309-E313 VanDerWaalsContact CZ-OE2 3.24Å; F309-E313 WeakPolarHBondContact CZ-OE2 3.25Å; N310-E313 HydrophobicContact CB-CG 4.39Å; N310-E313 WeakPolarHBondContact O-CB 3.47Å; N310-E313 PolarHBondContact O-N 3.42Å; I311-E313 PolarHBondContact O-N 2.86Å
314F64.6Low66.5Low10 Ų1073.4 Ų73.44%0.04440%0.399CS..THydrogen-bonded Turntrans-88.4-20.4169.5-65.4-57.6000112.3L42 R45 Q46 L49 F302 V305 F309 I311 G312 D316L42-F314 HydrophobicContact CD1-CD1 4.09Å; R45-F314 HydrophobicContact CB-CD1 4.12Å; R45-F314 HydrophobicContact CB-CE1 4.31Å; R45-F314 VanDerWaalsContact CD-CE1 3.42Å; R45-F314 HydrophobicContact CG-CE1 4.5Å; Q46-F314 WeakPolarHBondContact CG-O 3.42Å; L49-F314 HydrophobicContact CD1-CB 3.48Å; L49-F314 VanDerWaalsContact CD1-CB 3.48Å; L49-F314 HydrophobicContact CD1-CD2 4.47Å; L49-F314 HydrophobicContact CD1-CG 4.35Å; F302-F314 HydrophobicContact CD1-CD2 4.21Å; F302-F314 AromaticContact CD1-CE2 3.83Å; F302-F314 HydrophobicContact CD1-CE2 3.83Å; F302-F314 HydrophobicContact CD1-CZ 4.47Å; F302-F314 AromaticContact CE1-CD2 3.79Å; F302-F314 HydrophobicContact CE1-CD2 3.79Å; F302-F314 AromaticContact CE1-CE2 3.81Å; F302-F314 HydrophobicContact CE1-CE2 3.81Å; F302-F314 HydrophobicContact CE1-CG 4.36Å; F302-F314 HydrophobicContact CE1-CZ 4.41Å; V305-F314 HydrophobicContact CG1-CE2 4.08Å; V305-F314 HydrophobicContact CG1-CZ 4.23Å; V305-F314 HydrophobicContact CG2-CE2 3.94Å; V305-F314 HydrophobicContact CG2-CZ 3.77Å; F309-F314 AromaticContact CD1-CD2 3.97Å; F309-F314 HydrophobicContact CD1-CD2 3.97Å; F309-F314 AromaticContact CD1-CE2 3.4Å; F309-F314 HydrophobicContact CD1-CE2 3.4Å; F309-F314 AromaticContact CD1-CZ 3.82Å; F309-F314 HydrophobicContact CD1-CZ 3.82Å; F309-F314 HydrophobicContact CE1-CD1 4.05Å; F309-F314 AromaticContact CE1-CD2 3.41Å; F309-F314 HydrophobicContact CE1-CD2 3.41Å; F309-F314 VanDerWaalsContact CE1-CD2 3.41Å; F309-F314 AromaticContact CE1-CE1 3.72Å; F309-F314 HydrophobicContact CE1-CE1 3.72Å; F309-F314 AromaticContact CE1-CE2 3.05Å; F309-F314 HydrophobicContact CE1-CE2 3.05Å; F309-F314 AromaticContact CE1-CG 3.89Å; F309-F314 HydrophobicContact CE1-CG 3.89Å; F309-F314 AromaticContact CE1-CZ 3.2Å; F309-F314 HydrophobicContact CE1-CZ 3.2Å; F309-F314 HydrophobicContact CZ-CD1 4.33Å; F309-F314 HydrophobicContact CZ-CD2 4.43Å; F309-F314 AromaticContact CZ-CE1 3.84Å; F309-F314 HydrophobicContact CZ-CE1 3.84Å; F309-F314 AromaticContact CZ-CE2 3.98Å; F309-F314 HydrophobicContact CZ-CE2 3.98Å; F309-F314 AromaticContact CZ-CZ 3.64Å; F309-F314 HydrophobicContact CZ-CZ 3.64Å; I311-F314 WeakPolarHBondContact O-CB 3.4Å; I311-F314 PolarHBondContact O-N 2.84Å; G312-F314 VanDerWaalsContact C-N 3.26Å; G312-F314 PolarHBondContact O-N 3.15Å; F314-D316 PolarHBondContact O-N 2.87Å
315L61.2Low67.1Low44 Ų4469.5 Ų69.523%0.2338%0.381CS..SBendtrans-83.471.2174.7-62.7173.4000107.7L49 L91 I92 I311 G312 D317L49-L315 HydrophobicContact CB-CD2 4.37Å; L49-L315 HydrophobicContact CD1-CD2 3.92Å; L49-L315 HydrophobicContact CD1-CG 4.24Å; L91-L315 HydrophobicContact CB-CD1 4.09Å; L91-L315 HydrophobicContact CD1-CD1 4.24Å; I92-L315 HydrophobicContact CD1-CD1 4.18Å; I92-L315 HydrophobicContact CD1-CD2 3.92Å; I92-L315 HydrophobicContact CD1-CG 4.36Å; I92-L315 HydrophobicContact CG1-CD1 4.23Å; I311-L315 PolarHBondContact O-N 3.18Å; G312-L315 CarbonylContact O-C 3.44Å; G312-L315 PolarHBondContact O-N 2.96Å; G312-L315 VanDerWaalsContact O-N 3.13Å; L315-D317 PolarHBondContact O-N 3.41Å
316D48.2Very low68.1Low102 Ų10270.7 Ų70.755%0.54539%0.389SS..  trans-50.7114.5162.7-106.7-20000107.4Q46 F314Q46-D316 PolarHBondContact NE2-OD2 3.12Å; F314-D316 PolarHBondContact O-N 2.87Å
317D45.6Very low69.2Low128 Ų12869.1 Ų69.168%0.68438%0.38SS*.  trans43.180.1163-63.6-26.2000117.4L315L315-D317 PolarHBondContact O-N 3.41Å
318H55.7Low70.9Confident111 Ų11169.6 Ų69.651%0.51439%0.39SS..  trans-114.627.7149.3-65.8-18.9000112.2E320H318-E320 VanDerWaalsContact C-N 3.34Å; H318-E320 PolarHBondContact O-N 3.41Å; H318-E320 VanDerWaalsContact O-N 3.1Å
319W66.6Low72.6Confident117 Ų11776 Ų7644%0.44340%0.398SS..  trans-69.8101.4154.4-72.189.2000107V321 Y368 L436 A439W319-V321 HydrophobicContact CB-CG2 3.85Å; W319-V321 PolarHBondContact O-N 3.12Å; W319-Y368 HydrophobicContact CH2-CD2 4.46Å; W319-Y368 HydrophobicContact CH2-CE2 4.41Å; W319-Y368 HydrophobicContact CZ3-CD2 4.23Å; W319-L436 HydrophobicContact CD2-CD2 4.44Å; W319-L436 HydrophobicContact CZ2-CD2 3.79Å; W319-A439 HydrophobicContact CH2-CB 3.89Å; W319-A439 HydrophobicContact CZ2-CB 3.95Å
320E72.9Confident74Confident144 Ų14478.7 Ų78.767%0.67341%0.411SS*.  trans-68.7113.3159.3-169.9176.9174.700106.5H318 F366H318-E320 VanDerWaalsContact C-N 3.34Å; H318-E320 PolarHBondContact O-N 3.41Å; H318-E320 VanDerWaalsContact O-N 3.1Å; E320-F366 HydrophobicContact CB-CE1 4.25Å; E320-F366 HydrophobicContact CG-CE1 3.96Å; E320-F366 HydrophobicContact CG-CZ 4.23Å; E320-F366 WeakPolarHBondContact O-CE1 3.44Å
321V84.9Confident75.5Confident122 Ų12281 Ų8174%0.73943%0.425SS*.  trans-118129.2179.4-173.60000108.1W319W319-V321 HydrophobicContact CB-CG2 3.85Å; W319-V321 PolarHBondContact O-N 3.12Å
322D90.7Very high76.5Confident78 Ų7883.5 Ų83.542%0.41745%0.452SS..  trans-139.6166.2171.1-162.45.7000109.5H353 R356 F366D322-H353 IonicContact OD1-CE1 3.26Å; D322-H353 PolarHBondContact OD1-CE1 3.03Å; D322-H353 IonicContact OD1-ND1 2.71Å; D322-R356 IonicContact OD1-NE 3.8Å; D322-R356 IonicContact OD2-CZ 3.74Å; D322-R356 IonicContact OD2-NE 3.59Å; D322-R356 PolarHBondContact OD2-NE 3.37Å; D322-R356 IonicContact OD2-NH2 3.85Å; D322-R356 PolarHBondContact OD2-NH2 2.93Å; D322-F366 HydrophobicContact CB-CZ 3.95Å
323S92.1Very high77.9Confident60 Ų6083.7 Ų83.742%0.4245%0.454SS..  trans-123.3141.3177.1-178.20000110.1H353S323-H353 PolarHBondContact O-CE1 3.33Å; S323-H353 PolarHBondContact O-NE2 3.41Å
324A94.4Very high79.3Confident33 Ų3383 Ų8327%0.27346%0.462SS..  trans-144.8138.8-178.800000110.7R356 I358A324-R356 HydrophobicContact CB-CG 4.43Å; A324-I358 HydrophobicContact CB-CB 4.03Å; A324-I358 HydrophobicContact CB-CD1 4.02Å
325A92.9Very high80.4Confident24 Ų2484 Ų8420%0.19847%0.469CS..BIsolated β-bridgetrans-81.7147.8177.300000111.5C327 V355 R356 M357 I358A325-C327 VanDerWaalsContact C-N 3.34Å; A325-C327 VanDerWaalsContact CB-O 3.23Å; A325-C327 WeakPolarHBondContact CB-O 3.33Å; A325-V355 HydrophobicContact CB-CG1 4Å; A325-R356 PolarHBondContact N-O 2.88Å; A325-M357 HydrophobicContact CB-SD 4.36Å; A325-I358 PolarHBondContact O-N 2.99Å
326T92.9Very high81.8Confident38 Ų3883.8 Ų83.823%0.23347%0.468CS..SBendtrans-86.9-5.8169.954.50000112.6Y379 L380T326-Y379 HydrophobicContact CG2-CD1 3.59Å; T326-Y379 HydrophobicContact CG2-CE1 4.07Å; T326-Y379 HydrophobicContact CG2-CG 4.35Å; T326-L380 HydrophobicContact CG2-CD2 4.49Å; T326-L380 HydrophobicContact CG2-CG 4.49Å
327C89.4Confident84Confident58 Ų5884.7 Ų84.739%0.39247%0.469SS..SBendtrans-143.9158.5176.961.40000111.6A325 Y329A325-C327 VanDerWaalsContact C-N 3.34Å; A325-C327 VanDerWaalsContact CB-O 3.23Å; A325-C327 WeakPolarHBondContact CB-O 3.33Å; C327-Y329 HydrophobicContact CB-CD2 4.02Å; C327-Y329 HydrophobicContact CB-CE2 4.23Å; C327-Y329 VanDerWaalsContact SG-CD2 3.6Å
328D88.7Confident86.4Confident115 Ų11580.5 Ų80.562%0.61544%0.443SS*.SBendtrans-92.1-2.1-165.464.9-12000115.3H330 V331 M357D328-H330 PolarHBondContact O-N 2.95Å; D328-V331 HydrophobicContact CB-CG2 4.16Å; D328-V331 WeakPolarHBondContact O-CG2 3.36Å; D328-V331 PolarHBondContact O-N 3.45Å; D328-M357 HydrophobicContact CB-SD 4.22Å
329Y83.2Confident88.2Confident192 Ų19277.5 Ų77.575%0.75343%0.433SS*.THydrogen-bonded Turntrans-52.1-31.5-171.2-69.2-65.5000115.6C327C327-Y329 HydrophobicContact CB-CD2 4.02Å; C327-Y329 HydrophobicContact CB-CE2 4.23Å; C327-Y329 VanDerWaalsContact SG-CD2 3.6Å
330H84.3Confident89.5Confident108 Ų10874.8 Ų74.850%0.543%0.426SS..THydrogen-bonded Turntrans-120.910.4-174.1-62.7-49.6000113.8D328 G332 G333 V355D328-H330 PolarHBondContact O-N 2.95Å; H330-G332 PolarHBondContact O-N 3.38Å; H330-G333 WeakPolarHBondContact O-CA 3.31Å; H330-G333 PolarHBondContact O-N 3.3Å; H330-V355 HydrophobicContact CB-CG1 4.29Å; H330-V355 HydrophobicContact CB-CG2 4.37Å; H330-V355 VanDerWaalsContact O-CB 3.25Å; H330-V355 WeakPolarHBondContact O-CB 3.27Å
331V89.6Confident90.6Very high77 Ų7773.5 Ų73.547%0.46742%0.418SS..THydrogen-bonded Turntrans-55.3132.1-1791740000110.5D328 G333 V355 M357D328-V331 HydrophobicContact CB-CG2 4.16Å; D328-V331 WeakPolarHBondContact O-CG2 3.36Å; D328-V331 PolarHBondContact O-N 3.45Å; V331-G333 VanDerWaalsContact C-N 3.25Å; V331-G333 PolarHBondContact O-N 2.8Å; V331-V355 WeakPolarHBondContact CA-O 3.33Å; V331-V355 HydrophobicContact CG2-CG1 4.47Å; V331-M357 HydrophobicContact CG2-CG 3.8Å; V331-M357 HydrophobicContact CG2-SD 4.32Å
332G88.5Confident91Very high55 Ų5568 Ų6857%0.56739%0.385SS*.THydrogen-bonded Turntrans82.9-7.8-173.900000114.8H330 V355H330-G332 PolarHBondContact O-N 3.38Å; G332-V355 PolarHBondContact N-O 3.23Å
333G88.6Confident91Very high29 Ų2965.3 Ų65.330%0.29937%0.37SS..PPolyproline II helixtrans-78.5158176.100000113.4H330 V331 V355H330-G333 WeakPolarHBondContact O-CA 3.31Å; H330-G333 PolarHBondContact O-N 3.3Å; V331-G333 VanDerWaalsContact C-N 3.25Å; V331-G333 PolarHBondContact O-N 2.8Å; G333-V355 PolarHBondContact O-N 3.09Å
334S89.8Confident91Very high99 Ų9968.6 Ų68.669%0.69238%0.379SS*.PPolyproline II helixtrans-84.9159.316958.70000111.4
335P88.1Confident90.8Very high30 Ų3073.9 Ų73.920%0.19540%0.396CS..PPolyproline II helixtrans-54.2150.6174-23.932.5000112.5H337 M340 Y351 H353P335-H337 PolarHBondContact O-N 3.37Å; P335-M340 HydrophobicContact CB-CG 4.24Å; P335-M340 HydrophobicContact CB-SD 3.83Å; P335-M340 HydrophobicContact CG-SD 4.06Å; P335-Y351 HydrophobicContact CG-CD1 4.33Å; P335-Y351 HydrophobicContact CG-CE1 3.78Å; P335-H353 WeakPolarHBondContact CD-O 3.28Å; P335-H353 HydrophobicContact CG-CB 4.46Å
336D91.7Very high90.5Very high39 Ų3975.9 Ų75.921%0.20940%0.401CS..PPolyproline II helixtrans-55.9134.3175.9-169.9-56.2000110.1R338 T339 M340 F421D336-R338 PolarHBondContact O-N 2.88Å; D336-R338 VanDerWaalsContact O-N 3.07Å; D336-R338 VanDerWaalsContact OD1-CB 3.32Å; D336-R338 WeakPolarHBondContact OD1-CB 3.17Å; D336-R338 WeakPolarHBondContact OD1-CG 3.33Å; D336-R338 IonicContact OD1-CZ 3.35Å; D336-R338 PolarHBondContact OD1-N 3.2Å; D336-R338 IonicContact OD1-NE 2.97Å; D336-R338 PolarHBondContact OD1-NE 2.78Å; D336-R338 VanDerWaalsContact OD1-NE 3.07Å; D336-R338 IonicContact OD1-NH2 2.87Å; D336-R338 IonicContact OD2-CZ 2.74Å; D336-R338 IonicContact OD2-NE 3.12Å; D336-R338 PolarHBondContact OD2-NE 2.82Å; D336-R338 IonicContact OD2-NH2 3.13Å; D336-R338 PolarHBondContact OD2-NH2 2.97Å; D336-T339 WeakPolarHBondContact O-CA 3.32Å; D336-T339 VanDerWaalsContact O-CB 3.3Å; D336-T339 WeakPolarHBondContact O-CB 3.29Å; D336-T339 PolarHBondContact O-N 3.13Å; D336-M340 PolarHBondContact O-N 2.84Å; D336-M340 VanDerWaalsContact O-N 3.12Å; D336-F421 HydrophobicContact CB-CE1 4.31Å
337H93.3Very high90Very high122 Ų12276.8 Ų76.857%0.56542%0.417SS*.Hα-helixtrans-55.9-26.9179.776.4-59.2000113.9P335 K341P335-H337 PolarHBondContact O-N 3.37Å; H337-K341 WeakPolarHBondContact O-CG 3.18Å; H337-K341 PolarHBondContact O-N 3.4Å
338R95.7Very high89.6Confident39 Ų3977 Ų7715%0.14741%0.414CS..Hα-helixtrans-68.4-43.1174.8-68.8170.4-71174.91.9111.1D336 K341 V342 Y413 T415 L418 F421D336-R338 PolarHBondContact O-N 2.88Å; D336-R338 VanDerWaalsContact O-N 3.07Å; D336-R338 VanDerWaalsContact OD1-CB 3.32Å; D336-R338 WeakPolarHBondContact OD1-CB 3.17Å; D336-R338 WeakPolarHBondContact OD1-CG 3.33Å; D336-R338 IonicContact OD1-CZ 3.35Å; D336-R338 PolarHBondContact OD1-N 3.2Å; D336-R338 IonicContact OD1-NE 2.97Å; D336-R338 PolarHBondContact OD1-NE 2.78Å; D336-R338 VanDerWaalsContact OD1-NE 3.07Å; D336-R338 IonicContact OD1-NH2 2.87Å; D336-R338 IonicContact OD2-CZ 2.74Å; D336-R338 IonicContact OD2-NE 3.12Å; D336-R338 PolarHBondContact OD2-NE 2.82Å; D336-R338 IonicContact OD2-NH2 3.13Å; D336-R338 PolarHBondContact OD2-NH2 2.97Å; R338-K341 PolarHBondContact O-N 2.73Å; R338-V342 PolarHBondContact O-N 3.04Å; R338-V342 VanDerWaalsContact O-N 3.12Å; R338-Y413 PolarHBondContact NH1-O 3.29Å; R338-Y413 PolarHBondContact NH2-O 2.97Å; R338-T415 PolarHBondContact NH1-O 3.11Å; R338-L418 HydrophobicContact CB-CD2 3.79Å; R338-L418 HydrophobicContact CG-CD2 3.91Å; R338-F421 HydrophobicContact CB-CD1 3.81Å; R338-F421 HydrophobicContact CB-CD2 3.84Å; R338-F421 HydrophobicContact CB-CE1 3.78Å; R338-F421 HydrophobicContact CB-CE2 3.84Å; R338-F421 HydrophobicContact CB-CG 3.85Å; R338-F421 HydrophobicContact CB-CZ 3.81Å; R338-F421 HydrophobicContact CG-CE2 4.31Å; R338-F421 HydrophobicContact CG-CZ 4.48Å; R338-F421 VanDerWaalsContact CZ-CE2 3.44Å
339T93.9Very high89.3Confident49 Ų4976.6 Ų76.630%0.30142%0.416SS..Hα-helixtrans-58.3-49172-55.30000110.4D336 K341 V342 L343 F421D336-T339 WeakPolarHBondContact O-CA 3.32Å; D336-T339 VanDerWaalsContact O-CB 3.3Å; D336-T339 WeakPolarHBondContact O-CB 3.29Å; D336-T339 PolarHBondContact O-N 3.13Å; T339-K341 VanDerWaalsContact C-N 3.28Å; T339-K341 PolarHBondContact O-N 3.33Å; T339-V342 PolarHBondContact O-N 3.34Å; T339-V342 VanDerWaalsContact O-N 3.11Å; T339-L343 HydrophobicContact CG2-CD1 4.06Å; T339-L343 HydrophobicContact CG2-CG 4.32Å; T339-L343 WeakPolarHBondContact O-CG 3.23Å; T339-L343 PolarHBondContact O-N 3.44Å; T339-F421 WeakPolarHBondContact OG1-CD1 3.4Å; T339-F421 WeakPolarHBondContact OG1-CE1 3.41Å
340M93.9Very high89.3Confident59 Ų5973.8 Ų73.829%0.29141%0.414SS..Hα-helixtrans-59.7-37.7179.7-62.7-53.8-63.900112.6P335 D336 L343 Q344 Y351P335-M340 HydrophobicContact CB-CG 4.24Å; P335-M340 HydrophobicContact CB-SD 3.83Å; P335-M340 HydrophobicContact CG-SD 4.06Å; D336-M340 PolarHBondContact O-N 2.84Å; D336-M340 VanDerWaalsContact O-N 3.12Å; M340-L343 HydrophobicContact SD-CD1 4.3Å; M340-Q344 VanDerWaalsContact O-CB 3.25Å; M340-Q344 WeakPolarHBondContact O-CB 3.41Å; M340-Q344 PolarHBondContact O-N 2.86Å; M340-Y351 HydrophobicContact CE-CD1 4.31Å; M340-Y351 HydrophobicContact SD-CD1 3.96Å
341K95.4Very high89.2Confident118 Ų11873 Ų7351%0.51341%0.407SS..Hα-helixtrans-65-41.7175-80.1-178.2176.8-179.40113H337 R338 T339 K345 L418H337-K341 WeakPolarHBondContact O-CG 3.18Å; H337-K341 PolarHBondContact O-N 3.4Å; R338-K341 PolarHBondContact O-N 2.73Å; T339-K341 VanDerWaalsContact C-N 3.28Å; T339-K341 PolarHBondContact O-N 3.33Å; K341-K345 WeakPolarHBondContact O-CB 3.43Å; K341-K345 PolarHBondContact O-N 3.4Å; K341-L418 HydrophobicContact CB-CD2 4.31Å; K341-L418 HydrophobicContact CD-CD1 4.47Å; K341-L418 HydrophobicContact CD-CD2 4.43Å
342V93.9Very high88.9Confident5 Ų578.8 Ų78.83%0.0343%0.426CS..Hα-helixtrans-66.4-46.8177.5172.60000110.3R338 T339 Q344 K345 H346 L418 F421 Y425R338-V342 PolarHBondContact O-N 3.04Å; R338-V342 VanDerWaalsContact O-N 3.12Å; T339-V342 PolarHBondContact O-N 3.34Å; T339-V342 VanDerWaalsContact O-N 3.11Å; V342-Q344 VanDerWaalsContact C-N 3.32Å; V342-Q344 PolarHBondContact O-N 2.98Å; V342-K345 WeakPolarHBondContact O-CB 3.41Å; V342-K345 PolarHBondContact O-N 3.06Å; V342-K345 VanDerWaalsContact O-N 3.15Å; V342-H346 PolarHBondContact O-CD2 3.3Å; V342-H346 VanDerWaalsContact O-CD2 3.3Å; V342-H346 PolarHBondContact O-N 2.69Å; V342-H346 VanDerWaalsContact O-N 3.12Å; V342-L418 HydrophobicContact CG2-CD2 4.49Å; V342-F421 HydrophobicContact CG2-CB 3.79Å; V342-Y425 HydrophobicContact CG1-CD2 4.27Å; V342-Y425 HydrophobicContact CG1-CG 3.91Å
343L90.9Very high88.8Confident23 Ų2377.8 Ų77.812%0.1241%0.407CS..Hα-helixtrans-56.1-47175.3-69.4177.5000111.6T339 M340 K345 H346 G347 I348 Y351 Y425T339-L343 HydrophobicContact CG2-CD1 4.06Å; T339-L343 HydrophobicContact CG2-CG 4.32Å; T339-L343 WeakPolarHBondContact O-CG 3.23Å; T339-L343 PolarHBondContact O-N 3.44Å; M340-L343 HydrophobicContact SD-CD1 4.3Å; L343-K345 VanDerWaalsContact C-N 3.32Å; L343-K345 PolarHBondContact O-N 3.01Å; L343-H346 CarbonylContact O-C 3.59Å; L343-H346 PolarHBondContact O-N 3.17Å; L343-G347 PolarHBondContact O-N 3.11Å; L343-I348 CarbonylContact C-O 3.56Å; L343-I348 VanDerWaalsContact C-O 3.3Å; L343-I348 HydrophobicContact CB-CB 4.09Å; L343-I348 HydrophobicContact CB-CG2 4.34Å; L343-I348 HydrophobicContact CD2-CB 4.45Å; L343-I348 HydrophobicContact CD2-CD1 3.84Å; L343-I348 HydrophobicContact CD2-CG2 4.49Å; L343-I348 PolarHBondContact O-N 2.64Å; L343-Y351 HydrophobicContact CD1-CD1 3.82Å; L343-Y351 HydrophobicContact CD1-CE1 4.36Å; L343-Y351 HydrophobicContact CD1-CG 4.08Å; L343-Y425 HydrophobicContact CD2-CD2 4.07Å; L343-Y425 HydrophobicContact CD2-CE2 4.03Å
344Q91.3Very high88.8Confident129 Ų12980.6 Ų80.660%0.60342%0.418SS*.Hα-helixtrans-62.7-38.1179-166.1173.136.900112.5M340 V342 H346 G347 I348 T349M340-Q344 VanDerWaalsContact O-CB 3.25Å; M340-Q344 WeakPolarHBondContact O-CB 3.41Å; M340-Q344 PolarHBondContact O-N 2.86Å; V342-Q344 VanDerWaalsContact C-N 3.32Å; V342-Q344 PolarHBondContact O-N 2.98Å; Q344-H346 VanDerWaalsContact C-N 3.25Å; Q344-H346 PolarHBondContact O-N 3.4Å; Q344-G347 PolarHBondContact O-N 2.98Å; Q344-G347 VanDerWaalsContact O-N 3.15Å; Q344-I348 WeakPolarHBondContact CA-O 3.26Å; Q344-I348 PolarHBondContact N-O 3.49Å; Q344-T349 HydrophobicContact CG-CG2 4.2Å
345K90.1Very high88.9Confident144 Ų14477.3 Ų77.363%0.62639%0.393SS*.Hα-helixtrans-62-33.7174.6-179.6-167.2172.2-154.60112K341 V342 L343 G347 E422K341-K345 WeakPolarHBondContact O-CB 3.43Å; K341-K345 PolarHBondContact O-N 3.4Å; V342-K345 WeakPolarHBondContact O-CB 3.41Å; V342-K345 PolarHBondContact O-N 3.06Å; V342-K345 VanDerWaalsContact O-N 3.15Å; L343-K345 VanDerWaalsContact C-N 3.32Å; L343-K345 PolarHBondContact O-N 3.01Å; K345-G347 VanDerWaalsContact C-N 3.32Å; K345-E422 IonicContact NZ-OE1 3.8Å; K345-E422 PolarHBondContact NZ-OE1 3.15Å; K345-E422 IonicContact NZ-OE2 3.5Å; K345-E422 PolarHBondContact NZ-OE2 3.28Å
346H87.4Confident89.2Confident66 Ų6678.8 Ų78.831%0.30640%0.395SS..THydrogen-bonded Turntrans-90.713176.4-73-78.3000114V342 L343 Q344 E422 Y425 E426V342-H346 PolarHBondContact O-CD2 3.3Å; V342-H346 VanDerWaalsContact O-CD2 3.3Å; V342-H346 PolarHBondContact O-N 2.69Å; V342-H346 VanDerWaalsContact O-N 3.12Å; L343-H346 CarbonylContact O-C 3.59Å; L343-H346 PolarHBondContact O-N 3.17Å; Q344-H346 VanDerWaalsContact C-N 3.25Å; Q344-H346 PolarHBondContact O-N 3.4Å; H346-E422 IonicContact CD2-OE1 3.25Å; H346-E422 IonicContact CE1-OE1 2.74Å; H346-E422 IonicContact NE2-OE1 3.72Å; H346-E422 PolarHBondContact NE2-OE1 2.9Å; H346-Y425 HydrophobicContact CB-CE1 4.04Å; H346-Y425 HydrophobicContact CB-CE2 4.23Å; H346-Y425 WeakPolarHBondContact CB-OH 3.34Å; H346-Y425 AromaticContact CD2-CD1 3.58Å; H346-Y425 AromaticContact CD2-CE1 3.37Å; H346-Y425 WeakPolarHBondContact CD2-CE1 3.25Å; H346-Y425 AromaticContact CD2-CZ 3.77Å; H346-Y425 AromaticContact CE1-CD1 3.94Å; H346-Y425 AromaticContact CE1-CE1 3.52Å; H346-Y425 AromaticContact CG-CE1 3.38Å; H346-Y425 AromaticContact CG-CZ 3.52Å; H346-Y425 AromaticContact ND1-CE1 3.52Å; H346-Y425 AromaticContact ND1-CZ 3.99Å; H346-Y425 AromaticContact NE2-CD1 3.5Å; H346-Y425 WeakPolarHBondContact NE2-CD1 3.48Å; H346-Y425 AromaticContact NE2-CE1 3.46Å; H346-Y425 WeakPolarHBondContact NE2-CE1 3.44Å; H346-E426 IonicContact CE1-OE1 3.68Å
347G82.3Confident89.4Confident56 Ų5679.5 Ų79.558%0.57740%0.398SS*.THydrogen-bonded Turntrans86.9-0.5173.800000115.5L343 Q344 K345 T349L343-G347 PolarHBondContact O-N 3.11Å; Q344-G347 PolarHBondContact O-N 2.98Å; Q344-G347 VanDerWaalsContact O-N 3.15Å; K345-G347 VanDerWaalsContact C-N 3.32Å; G347-T349 PolarHBondContact O-N 3.17Å
348I80.5Confident89.6Confident62 Ų6274.4 Ų74.432%0.31838%0.375SS..  trans-86.6103.7177.8-58.2168000108.5L343 Q344 Y425L343-I348 CarbonylContact C-O 3.56Å; L343-I348 VanDerWaalsContact C-O 3.3Å; L343-I348 HydrophobicContact CB-CB 4.09Å; L343-I348 HydrophobicContact CB-CG2 4.34Å; L343-I348 HydrophobicContact CD2-CB 4.45Å; L343-I348 HydrophobicContact CD2-CD1 3.84Å; L343-I348 HydrophobicContact CD2-CG2 4.49Å; L343-I348 PolarHBondContact O-N 2.64Å; Q344-I348 WeakPolarHBondContact CA-O 3.26Å; Q344-I348 PolarHBondContact N-O 3.49Å; I348-Y425 HydrophobicContact CD1-CE2 4.18Å
349T83.4Confident89.6Confident107 Ų10775.8 Ų75.866%0.65639%0.387SS*.  trans-117.3-14.2-168.157.60000115Q344 G347Q344-T349 HydrophobicContact CG-CG2 4.2Å; G347-T349 PolarHBondContact O-N 3.17Å
350D82.8Confident89.6Confident133 Ų13377.3 Ų77.371%0.71139%0.391SS*.  trans-108.74.5-174.862.5-23.1000113.5K352D350-K352 PolarHBondContact O-N 2.93Å; D350-K352 VanDerWaalsContact O-N 3.16Å
351Y82Confident89.5Confident91 Ų9178.5 Ų78.536%0.35740%0.399SS..  trans-58.2118.3178.2-175.1-104.8000111.7P335 M340 L343 H353P335-Y351 HydrophobicContact CG-CD1 4.33Å; P335-Y351 HydrophobicContact CG-CE1 3.78Å; M340-Y351 HydrophobicContact CE-CD1 4.31Å; M340-Y351 HydrophobicContact SD-CD1 3.96Å; L343-Y351 HydrophobicContact CD1-CD1 3.82Å; L343-Y351 HydrophobicContact CD1-CE1 4.36Å; L343-Y351 HydrophobicContact CD1-CG 4.08Å; Y351-H353 HydrophobicContact CE1-CB 3.83Å; Y351-H353 HydrophobicContact CE2-CB 4.4Å; Y351-H353 WeakPolarHBondContact OH-CB 3.36Å
352K83.7Confident89.5Confident199 Ų19973.4 Ų73.487%0.86538%0.377SS*.  trans-129.2116.9175.2-70.1178.3-174.7173.40108.9D350D350-K352 PolarHBondContact O-N 2.93Å; D350-K352 VanDerWaalsContact O-N 3.16Å
353H86.3Confident89.5Confident34 Ų3473.1 Ų73.116%0.15738%0.375CS..  trans-140.8148.8173.7-17769.6000109.3D322 S323 P335 Y351D322-H353 IonicContact OD1-CE1 3.26Å; D322-H353 PolarHBondContact OD1-CE1 3.03Å; D322-H353 IonicContact OD1-ND1 2.71Å; S323-H353 PolarHBondContact O-CE1 3.33Å; S323-H353 PolarHBondContact O-NE2 3.41Å; P335-H353 WeakPolarHBondContact CD-O 3.28Å; P335-H353 HydrophobicContact CG-CB 4.46Å; Y351-H353 HydrophobicContact CE1-CB 3.83Å; Y351-H353 HydrophobicContact CE2-CB 4.4Å; Y351-H353 WeakPolarHBondContact OH-CB 3.36Å
354V89.4Confident89.3Confident88 Ų8875.8 Ų75.853%0.53339%0.386SS..  trans-124.8127.3171.5175.60000106.1R356V354-R356 PolarHBondContact O-N 3.36Å
355V91.2Very high89Confident30 Ų3074.2 Ų74.218%0.18238%0.382CS..  trans-57.3127.1-176177.80000109.7A325 H330 V331 G332 G333A325-V355 HydrophobicContact CB-CG1 4Å; H330-V355 HydrophobicContact CB-CG1 4.29Å; H330-V355 HydrophobicContact CB-CG2 4.37Å; H330-V355 VanDerWaalsContact O-CB 3.25Å; H330-V355 WeakPolarHBondContact O-CB 3.27Å; V331-V355 WeakPolarHBondContact CA-O 3.33Å; V331-V355 HydrophobicContact CG2-CG1 4.47Å; G332-V355 PolarHBondContact N-O 3.23Å; G333-V355 PolarHBondContact O-N 3.09Å
356R94.8Very high88.9Confident62 Ų6268.9 Ų68.923%0.23436%0.359CS..  trans-125.2163.3171.466.3170.8-173.889.2-12.6110.4D322 A324 A325 V354 D362D322-R356 IonicContact OD1-NE 3.8Å; D322-R356 IonicContact OD2-CZ 3.74Å; D322-R356 IonicContact OD2-NE 3.59Å; D322-R356 PolarHBondContact OD2-NE 3.37Å; D322-R356 IonicContact OD2-NH2 3.85Å; D322-R356 PolarHBondContact OD2-NH2 2.93Å; A324-R356 HydrophobicContact CB-CG 4.43Å; A325-R356 PolarHBondContact N-O 2.88Å; V354-R356 PolarHBondContact O-N 3.36Å; R356-D362 IonicContact CZ-OD1 3.2Å; R356-D362 IonicContact CZ-OD2 3.28Å; R356-D362 IonicContact NH1-OD1 3.01Å; R356-D362 PolarHBondContact NH1-OD1 3.21Å; R356-D362 IonicContact NH1-OD2 3.07Å; R356-D362 PolarHBondContact NH1-OD2 3.21Å; R356-D362 IonicContact NH2-OD1 3.96Å; R356-D362 PolarHBondContact NH2-OD1 2.8Å; R356-D362 IonicContact NH2-OD2 2.69Å
357M95.6Very high88.7Confident53 Ų5370.5 Ų70.526%0.26137%0.369SS..BIsolated β-bridgetrans-80.4152.4170.1-76.4-65.4-67.500111.4A325 D328 V331A325-M357 HydrophobicContact CB-SD 4.36Å; D328-M357 HydrophobicContact CB-SD 4.22Å; V331-M357 HydrophobicContact CG2-CG 3.8Å; V331-M357 HydrophobicContact CG2-SD 4.32Å
358I96.8Very high89.1Confident15 Ų1571.3 Ų71.38%0.07736%0.356CS..  trans-64.1136.8163.7-167.590000109.3A324 A325 D362 F363 I369 Y379 L380 F383A324-I358 HydrophobicContact CB-CB 4.03Å; A324-I358 HydrophobicContact CB-CD1 4.02Å; A325-I358 PolarHBondContact O-N 2.99Å; I358-D362 WeakPolarHBondContact CA-OD2 3.13Å; I358-D362 HydrophobicContact CD1-CB 3.91Å; I358-D362 HydrophobicContact CG1-CB 4.37Å; I358-F363 HydrophobicContact CD1-CE2 4.5Å; I358-F363 HydrophobicContact CG1-CE2 3.74Å; I358-F363 HydrophobicContact CG1-CZ 4.15Å; I358-I369 HydrophobicContact CD1-CG2 4.16Å; I358-Y379 HydrophobicContact CG2-CE1 3.84Å; I358-L380 HydrophobicContact CD1-CD2 4.1Å; I358-L380 HydrophobicContact CG1-CD2 4.01Å; I358-L380 HydrophobicContact CG2-CD2 4.46Å; I358-F383 HydrophobicContact CG2-CD2 4.15Å; I358-F383 HydrophobicContact CG2-CE2 4.07Å
359V95.1Very high89.8Confident69 Ų6969.1 Ų69.142%0.41834%0.344SS..  trans-128.3165.7-178.5-62.30000111.6D361 D362 F363V359-D361 HydrophobicContact CG2-CB 4.4Å; V359-D361 PolarHBondContact O-N 3.35Å; V359-D362 WeakPolarHBondContact CG2-OD2 3.49Å; V359-D362 PolarHBondContact N-OD2 3.27Å; V359-D362 WeakPolarHBondContact O-CB 3.47Å; V359-D362 PolarHBondContact O-N 3.19Å; V359-D362 VanDerWaalsContact O-N 3.09Å; V359-F363 WeakPolarHBondContact O-CD2 3.13Å
360E94.2Very high90.4Very high80 Ų8066.2 Ų66.237%0.37433%0.325SS..THydrogen-bonded Turntrans-53.8-39.8178.7173.8-179.916000113.1D362 F363 K364 L387E360-D362 PolarHBondContact O-N 3.1Å; E360-F363 PolarHBondContact O-N 2.87Å; E360-K364 WeakPolarHBondContact OE1-CE 3.47Å; E360-K364 IonicContact OE1-NZ 2.8Å; E360-K364 PolarHBondContact OE1-NZ 2.86Å; E360-L387 HydrophobicContact CB-CD2 4.04Å; E360-L387 HydrophobicContact CG-CD1 4.18Å; E360-L387 HydrophobicContact CG-CD2 3.61Å; E360-L387 HydrophobicContact CG-CG 4.48Å
361D93.1Very high91.1Very high85 Ų8560 Ų6046%0.45529%0.291SS..THydrogen-bonded Turntrans-67.1-24-177.7-74.3-15.8000112.8V359 F363 K364 N365V359-D361 HydrophobicContact CG2-CB 4.4Å; V359-D361 PolarHBondContact O-N 3.35Å; D361-F363 VanDerWaalsContact C-N 3.29Å; D361-F363 PolarHBondContact O-N 3.16Å; D361-K364 PolarHBondContact O-N 3.46Å; D361-K364 VanDerWaalsContact O-N 3.11Å; D361-K364 IonicContact OD1-NZ 3.64Å; D361-K364 PolarHBondContact OD1-NZ 3.36Å; D361-N365 WeakPolarHBondContact O-CB 3.38Å; D361-N365 PolarHBondContact O-N 2.98Å; D361-N365 PolarHBondContact O-ND2 3.29Å
362D94.3Very high91.8Very high10 Ų1059.1 Ų59.15%0.05329%0.291CS..Hα-helixtrans-60.8-41.3174.4-65.3-47.4000110.7R356 I358 V359 E360 K364 N365 F366 I369R356-D362 IonicContact CZ-OD1 3.2Å; R356-D362 IonicContact CZ-OD2 3.28Å; R356-D362 IonicContact NH1-OD1 3.01Å; R356-D362 PolarHBondContact NH1-OD1 3.21Å; R356-D362 IonicContact NH1-OD2 3.07Å; R356-D362 PolarHBondContact NH1-OD2 3.21Å; R356-D362 IonicContact NH2-OD1 3.96Å; R356-D362 PolarHBondContact NH2-OD1 2.8Å; R356-D362 IonicContact NH2-OD2 2.69Å; I358-D362 WeakPolarHBondContact CA-OD2 3.13Å; I358-D362 HydrophobicContact CD1-CB 3.91Å; I358-D362 HydrophobicContact CG1-CB 4.37Å; V359-D362 WeakPolarHBondContact CG2-OD2 3.49Å; V359-D362 PolarHBondContact N-OD2 3.27Å; V359-D362 WeakPolarHBondContact O-CB 3.47Å; V359-D362 PolarHBondContact O-N 3.19Å; V359-D362 VanDerWaalsContact O-N 3.09Å; E360-D362 PolarHBondContact O-N 3.1Å; D362-K364 PolarHBondContact O-N 3.39Å; D362-N365 PolarHBondContact O-N 3.3Å; D362-F366 HydrophobicContact CB-CD2 4.14Å; D362-F366 WeakPolarHBondContact O-CB 3.44Å; D362-F366 WeakPolarHBondContact O-CD2 3.2Å; D362-F366 PolarHBondContact O-N 3.15Å; D362-I369 HydrophobicContact CB-CD1 4.45Å
363F94.4Very high92.4Very high0 Ų051.8 Ų51.80%026%0.262CS..Hα-helixtrans-69.5-15.4179.1-66.7-91.4000113.9I358 V359 E360 D361 I369 L380 F383 A384 L387 S390 K391 A392 I394I358-F363 HydrophobicContact CD1-CE2 4.5Å; I358-F363 HydrophobicContact CG1-CE2 3.74Å; I358-F363 HydrophobicContact CG1-CZ 4.15Å; V359-F363 WeakPolarHBondContact O-CD2 3.13Å; E360-F363 PolarHBondContact O-N 2.87Å; D361-F363 VanDerWaalsContact C-N 3.29Å; D361-F363 PolarHBondContact O-N 3.16Å; F363-I369 HydrophobicContact CB-CD1 4.36Å; F363-I369 HydrophobicContact CD1-CD1 3.51Å; F363-I369 HydrophobicContact CD2-CD1 4.26Å; F363-I369 HydrophobicContact CE1-CD1 3.74Å; F363-I369 HydrophobicContact CE2-CD1 4.47Å; F363-I369 HydrophobicContact CG-CD1 3.78Å; F363-I369 HydrophobicContact CZ-CD1 4.23Å; F363-L380 HydrophobicContact CZ-CD2 4.02Å; F363-F383 HydrophobicContact CE2-CB 4.43Å; F363-F383 HydrophobicContact CE2-CD1 4.17Å; F363-F383 HydrophobicContact CE2-CD2 4.16Å; F363-F383 HydrophobicContact CE2-CE2 4.48Å; F363-F383 HydrophobicContact CE2-CG 4Å; F363-F383 HydrophobicContact CZ-CB 4.03Å; F363-F383 HydrophobicContact CZ-CD2 4.4Å; F363-F383 HydrophobicContact CZ-CG 4.1Å; F363-A384 HydrophobicContact CD1-CB 3.85Å; F363-A384 HydrophobicContact CE1-CB 3.76Å; F363-L387 HydrophobicContact CB-CD1 3.6Å; F363-L387 HydrophobicContact CD1-CD1 4.3Å; F363-L387 HydrophobicContact CD2-CD1 3.6Å; F363-L387 HydrophobicContact CE2-CD1 4.35Å; F363-L387 HydrophobicContact CG-CD1 3.58Å; F363-S390 WeakPolarHBondContact O-CA 3.33Å; F363-S390 PolarHBondContact O-OG 3.33Å; F363-K391 PolarHBondContact O-N 2.94Å; F363-A392 HydrophobicContact CD1-CB 4.5Å; F363-I394 HydrophobicContact CD1-CD1 4.34Å; F363-I394 HydrophobicContact CE1-CD1 3.82Å
364K87.3Confident92.9Very high79 Ų7955 Ų5534%0.34328%0.28SS..Hα-helixtrans-94.4-37.9175.3-61.4174.7-168.1152.10111.5E360 D361 D362 K391E360-K364 WeakPolarHBondContact OE1-CE 3.47Å; E360-K364 IonicContact OE1-NZ 2.8Å; E360-K364 PolarHBondContact OE1-NZ 2.86Å; D361-K364 PolarHBondContact O-N 3.46Å; D361-K364 VanDerWaalsContact O-N 3.11Å; D361-K364 IonicContact OD1-NZ 3.64Å; D361-K364 PolarHBondContact OD1-NZ 3.36Å; D362-K364 PolarHBondContact O-N 3.39Å; K364-K391 VanDerWaalsContact O-CD 3.23Å; K364-K391 WeakPolarHBondContact O-CD 3.26Å; K364-K391 WeakPolarHBondContact O-CE 3.4Å
365N84.1Confident93.2Very high96 Ų9655.1 Ų55.151%0.51329%0.285SS..Hα-helixtrans-90.8-34.9-169.6-63.7-19.3000112.4D361 D362 K391D361-N365 WeakPolarHBondContact O-CB 3.38Å; D361-N365 PolarHBondContact O-N 2.98Å; D361-N365 PolarHBondContact O-ND2 3.29Å; D362-N365 PolarHBondContact O-N 3.3Å; N365-K391 VanDerWaalsContact C-CE 3.42Å; N365-K391 WeakPolarHBondContact O-CE 3.18Å; N365-K391 PolarHBondContact O-NZ 3.06Å
366F87.9Confident93.5Very high32 Ų3255.5 Ų55.514%0.1429%0.286CS..  trans-93142.3180-67.4-83.7000112.9E320 D322 D362 I369 K391E320-F366 HydrophobicContact CB-CE1 4.25Å; E320-F366 HydrophobicContact CG-CE1 3.96Å; E320-F366 HydrophobicContact CG-CZ 4.23Å; E320-F366 WeakPolarHBondContact O-CE1 3.44Å; D322-F366 HydrophobicContact CB-CZ 3.95Å; D362-F366 HydrophobicContact CB-CD2 4.14Å; D362-F366 WeakPolarHBondContact O-CB 3.44Å; D362-F366 WeakPolarHBondContact O-CD2 3.2Å; D362-F366 PolarHBondContact O-N 3.15Å; F366-I369 HydrophobicContact CB-CG1 4.31Å; F366-K391 WeakPolarHBondContact O-CE 3.36Å; F366-K391 WeakPolarHBondContact O-CG 3.11Å
367N83.3Confident93.6Very high99 Ų9953.7 Ų53.753%0.52928%0.282SS..SBendtrans-82-30.2175.9-72.381.8000112.5K391 A392 V393N367-K391 PolarHBondContact OD1-NZ 3.45Å; N367-K391 VanDerWaalsContact OD1-NZ 3.1Å; N367-A392 WeakPolarHBondContact O-CA 3.32Å; N367-V393 PolarHBondContact O-N 3.33Å
368Y90.7Very high93.6Very high74 Ų7454.4 Ų54.429%0.2929%0.292SS..EExtended strand (participates in β ladder)trans-127.2137.1176.6-65.5-86.5000109.1W319 V393W319-Y368 HydrophobicContact CH2-CD2 4.46Å; W319-Y368 HydrophobicContact CH2-CE2 4.41Å; W319-Y368 HydrophobicContact CZ3-CD2 4.23Å; Y368-V393 WeakPolarHBondContact CA-O 3.4Å; Y368-V393 HydrophobicContact CD1-CB 3.95Å; Y368-V393 HydrophobicContact CD1-CG1 4.29Å; Y368-V393 HydrophobicContact CE1-CB 4.15Å; Y368-V393 HydrophobicContact CE1-CG1 4.33Å
369I95.9Very high93.7Very high16 Ų1657.7 Ų57.78%0.08230%0.304CS..EExtended strand (participates in β ladder)trans-125.9112.1167.4-63.1173.3000106.9I358 D362 F363 F366 L380 A392 V393 I394 Q395I358-I369 HydrophobicContact CD1-CG2 4.16Å; D362-I369 HydrophobicContact CB-CD1 4.45Å; F363-I369 HydrophobicContact CB-CD1 4.36Å; F363-I369 HydrophobicContact CD1-CD1 3.51Å; F363-I369 HydrophobicContact CD2-CD1 4.26Å; F363-I369 HydrophobicContact CE1-CD1 3.74Å; F363-I369 HydrophobicContact CE2-CD1 4.47Å; F363-I369 HydrophobicContact CG-CD1 3.78Å; F363-I369 HydrophobicContact CZ-CD1 4.23Å; F366-I369 HydrophobicContact CB-CG1 4.31Å; I369-L380 HydrophobicContact CG2-CD1 3.79Å; I369-L380 HydrophobicContact CG2-CD2 3.86Å; I369-L380 HydrophobicContact CG2-CG 4.36Å; I369-A392 HydrophobicContact CB-CB 4.46Å; I369-A392 HydrophobicContact CD1-CB 3.6Å; I369-A392 HydrophobicContact CG1-CB 3.77Å; I369-V393 PolarHBondContact N-O 3.11Å; I369-I394 HydrophobicContact CB-CG1 4.5Å; I369-I394 WeakPolarHBondContact O-CA 3.5Å; I369-Q395 PolarHBondContact O-N 3.13Å
370L96.2Very high93.8Very high46 Ų4654.8 Ų54.824%0.24129%0.286CS..EExtended strand (participates in β ladder)trans-108.2121.8-167.3-56.8176.8000110.8Q395 L397 Y400 L435L370-Q395 CarbonylContact C-O 3.6Å; L370-Q395 VanDerWaalsContact CA-O 3.29Å; L370-Q395 WeakPolarHBondContact CA-O 3.39Å; L370-Q395 HydrophobicContact CD2-CB 4.18Å; L370-L397 HydrophobicContact CB-CB 4.08Å; L370-L397 HydrophobicContact CD1-CD1 3.77Å; L370-Y400 HydrophobicContact CD1-CE2 4.31Å; L370-Y400 HydrophobicContact CD2-CE2 3.87Å; L370-L435 HydrophobicContact CD1-CD1 4.42Å; L370-L435 HydrophobicContact CD1-CD2 3.54Å
371G96.6Very high93.8Very high1 Ų153.5 Ų53.51%0.0128%0.283CS..EExtended strand (participates in β ladder)trans-88151.3173.900000112Q395 L396 L397G371-Q395 PolarHBondContact N-O 3.39Å; G371-L396 CarbonylContact O-C 3.49Å; G371-L396 VanDerWaalsContact O-CA 3.31Å; G371-L396 WeakPolarHBondContact O-CA 3.37Å; G371-L397 PolarHBondContact O-N 3.45Å
372M96.4Very high94Very high73 Ų7355.1 Ų55.136%0.3629%0.289SS..SBendtrans-84-27.9177.8-59.7-57.5170.800112.4N376 L397 I409M372-N376 PolarHBondContact N-OD1 3.41Å; M372-L397 HydrophobicContact CE-CD2 3.94Å; M372-L397 HydrophobicContact SD-CB 4.26Å; M372-L397 HydrophobicContact SD-CD2 3.93Å; M372-I409 HydrophobicContact CB-CB 4.31Å; M372-I409 PolarHBondContact O-N 3.19Å; M372-I409 HydrophobicContact SD-CB 4.25Å; M372-I409 HydrophobicContact SD-CD1 4.07Å; M372-I409 HydrophobicContact SD-CG2 4.36Å
373D96.4Very high94Very high45 Ų4556.9 Ų56.924%0.24130%0.296CS..SBendtrans-142.8173.4-179.764.336.5000112.6S375 N376 V377 L396 I408D373-S375 PolarHBondContact O-N 3.14Å; D373-S375 WeakPolarHBondContact OD1-CA 3.44Å; D373-S375 WeakPolarHBondContact OD1-CB 3.11Å; D373-S375 PolarHBondContact OD1-N 3.48Å; D373-N376 WeakPolarHBondContact O-CB 3.13Å; D373-N376 PolarHBondContact O-N 3Å; D373-N376 PolarHBondContact OD1-N 2.87Å; D373-N376 PolarHBondContact OD1-ND2 3.21Å; D373-V377 PolarHBondContact O-N 2.92Å; D373-V377 VanDerWaalsContact O-N 3.1Å; D373-L396 WeakPolarHBondContact O-CD2 3.44Å; D373-I408 HydrophobicContact CB-CD1 4.17Å; D373-I408 HydrophobicContact CB-CG2 3.97Å
374D96.7Very high94Very high102 Ų10257.8 Ų57.855%0.54530%0.303SS..Hα-helixtrans-62.3-30.5-178.9-69.6-43.6000112.9S378D374-S378 VanDerWaalsContact O-CB 3.27Å; D374-S378 WeakPolarHBondContact O-CB 3.44Å; D374-S378 PolarHBondContact O-N 3.1Å; D374-S378 PolarHBondContact O-OG 2.94Å
375S96.4Very high94.2Very high90 Ų9061.3 Ų61.363%0.62932%0.321SS*.Hα-helixtrans-68.5-40.6177.7-172.10000110.8D373 Y379D373-S375 PolarHBondContact O-N 3.14Å; D373-S375 WeakPolarHBondContact OD1-CA 3.44Å; D373-S375 WeakPolarHBondContact OD1-CB 3.11Å; D373-S375 PolarHBondContact OD1-N 3.48Å; S375-Y379 WeakPolarHBondContact O-CB 3.22Å; S375-Y379 PolarHBondContact O-N 3.27Å; S375-Y379 VanDerWaalsContact O-N 3.08Å
376N96.6Very high94.7Very high38 Ų3864.1 Ų64.120%0.20333%0.331CS..Hα-helixtrans-62.7-51.1176-72.3-163.4000109.7M372 D373 S378 Y379 L380M372-N376 PolarHBondContact N-OD1 3.41Å; D373-N376 WeakPolarHBondContact O-CB 3.13Å; D373-N376 PolarHBondContact O-N 3Å; D373-N376 PolarHBondContact OD1-N 2.87Å; D373-N376 PolarHBondContact OD1-ND2 3.21Å; N376-S378 VanDerWaalsContact C-N 3.35Å; N376-S378 PolarHBondContact O-N 3.02Å; N376-Y379 PolarHBondContact O-N 2.91Å; N376-L380 WeakPolarHBondContact O-CB 3.5Å; N376-L380 WeakPolarHBondContact O-CG 3.12Å; N376-L380 PolarHBondContact O-N 3.13Å
377V96.7Very high94.8Very high25 Ų2563.8 Ų63.815%0.15233%0.33CS..Hα-helixtrans-63.7-40-178.5171.60000111.9D373 L380 T381 I394 L396D373-V377 PolarHBondContact O-N 2.92Å; D373-V377 VanDerWaalsContact O-N 3.1Å; V377-L380 PolarHBondContact O-N 3.49Å; V377-T381 VanDerWaalsContact O-CB 3.28Å; V377-T381 WeakPolarHBondContact O-CB 3.4Å; V377-T381 PolarHBondContact O-N 3.03Å; V377-T381 PolarHBondContact O-OG1 2.91Å; V377-I394 HydrophobicContact CG1-CG2 4.24Å; V377-L396 HydrophobicContact CG2-CD2 3.59Å; V377-L396 HydrophobicContact CG2-CG 3.9Å
378S97.2Very high94.8Very high67 Ų6764.7 Ų64.747%0.46934%0.342SS..Hα-helixtrans-60.8-48.7175.6-61.50000111.1D374 N376 L380 T381 E382D374-S378 VanDerWaalsContact O-CB 3.27Å; D374-S378 WeakPolarHBondContact O-CB 3.44Å; D374-S378 PolarHBondContact O-N 3.1Å; D374-S378 PolarHBondContact O-OG 2.94Å; N376-S378 VanDerWaalsContact C-N 3.35Å; N376-S378 PolarHBondContact O-N 3.02Å; S378-L380 PolarHBondContact O-N 3.47Å; S378-T381 PolarHBondContact O-N 3.24Å; S378-E382 PolarHBondContact O-N 3.19Å
379Y97.3Very high94.1Very high84 Ų8469.6 Ų69.633%0.32937%0.365SS..Hα-helixtrans-59-47.7176.7175.2-90.8000112.3T326 I358 S375 N376 T381 E382 F383T326-Y379 HydrophobicContact CG2-CD1 3.59Å; T326-Y379 HydrophobicContact CG2-CE1 4.07Å; T326-Y379 HydrophobicContact CG2-CG 4.35Å; I358-Y379 HydrophobicContact CG2-CE1 3.84Å; S375-Y379 WeakPolarHBondContact O-CB 3.22Å; S375-Y379 PolarHBondContact O-N 3.27Å; S375-Y379 VanDerWaalsContact O-N 3.08Å; N376-Y379 PolarHBondContact O-N 2.91Å; Y379-T381 VanDerWaalsContact C-N 3.3Å; Y379-T381 PolarHBondContact O-N 3.1Å; Y379-E382 PolarHBondContact O-N 3.35Å; Y379-F383 HydrophobicContact CE1-CD2 4.02Å; Y379-F383 WeakPolarHBondContact O-CB 3.27Å; Y379-F383 PolarHBondContact O-N 3.02Å
380L97Very high93.4Very high8 Ų871 Ų714%0.04238%0.376CS..Hα-helixtrans-63.1-38.9-179.7-69.5167000111.7T326 I358 F363 I369 N376 V377 S378 F383 A384 I394T326-L380 HydrophobicContact CG2-CD2 4.49Å; T326-L380 HydrophobicContact CG2-CG 4.49Å; I358-L380 HydrophobicContact CD1-CD2 4.1Å; I358-L380 HydrophobicContact CG1-CD2 4.01Å; I358-L380 HydrophobicContact CG2-CD2 4.46Å; F363-L380 HydrophobicContact CZ-CD2 4.02Å; I369-L380 HydrophobicContact CG2-CD1 3.79Å; I369-L380 HydrophobicContact CG2-CD2 3.86Å; I369-L380 HydrophobicContact CG2-CG 4.36Å; N376-L380 WeakPolarHBondContact O-CB 3.5Å; N376-L380 WeakPolarHBondContact O-CG 3.12Å; N376-L380 PolarHBondContact O-N 3.13Å; V377-L380 PolarHBondContact O-N 3.49Å; S378-L380 PolarHBondContact O-N 3.47Å; L380-F383 PolarHBondContact O-N 3.37Å; L380-A384 WeakPolarHBondContact O-CB 3.38Å; L380-A384 PolarHBondContact O-N 3.36Å; L380-I394 HydrophobicContact CB-CD1 4.31Å; L380-I394 HydrophobicContact CB-CG2 3.73Å; L380-I394 HydrophobicContact CD1-CG2 4.27Å; L380-I394 WeakPolarHBondContact O-CD1 3.29Å
381T95.7Very high92.8Very high53 Ų5373.7 Ų73.733%0.32539%0.386SS..Hα-helixtrans-67-44.9177.9-57.50000111.1V377 S378 Y379 F383 A384 Q385V377-T381 VanDerWaalsContact O-CB 3.28Å; V377-T381 WeakPolarHBondContact O-CB 3.4Å; V377-T381 PolarHBondContact O-N 3.03Å; V377-T381 PolarHBondContact O-OG1 2.91Å; S378-T381 PolarHBondContact O-N 3.24Å; Y379-T381 VanDerWaalsContact C-N 3.3Å; Y379-T381 PolarHBondContact O-N 3.1Å; T381-F383 VanDerWaalsContact C-N 3.33Å; T381-F383 PolarHBondContact O-N 3.12Å; T381-A384 PolarHBondContact O-N 3.46Å; T381-Q385 WeakPolarHBondContact O-CG 3.47Å; T381-Q385 PolarHBondContact O-N 3.04Å
382E96.3Very high92.3Very high120 Ų12074.4 Ų74.456%0.56139%0.391SS*.Hα-helixtrans-62.8-39.1175.3-76.1-178.3-179.200112S378 Y379 Q386S378-E382 PolarHBondContact O-N 3.19Å; Y379-E382 PolarHBondContact O-N 3.35Å; E382-Q386 WeakPolarHBondContact O-CG 3.37Å; E382-Q386 PolarHBondContact O-NE2 3.38Å
383F95.8Very high91.9Very high47 Ų4773.9 Ų73.921%0.20639%0.392CS..Hα-helixtrans-62-52.8173.8-160.4-30.3000109.8I358 F363 Y379 L380 T381 Q385 Q386 L387I358-F383 HydrophobicContact CG2-CD2 4.15Å; I358-F383 HydrophobicContact CG2-CE2 4.07Å; F363-F383 HydrophobicContact CE2-CB 4.43Å; F363-F383 HydrophobicContact CE2-CD1 4.17Å; F363-F383 HydrophobicContact CE2-CD2 4.16Å; F363-F383 HydrophobicContact CE2-CE2 4.48Å; F363-F383 HydrophobicContact CE2-CG 4Å; F363-F383 HydrophobicContact CZ-CB 4.03Å; F363-F383 HydrophobicContact CZ-CD2 4.4Å; F363-F383 HydrophobicContact CZ-CG 4.1Å; Y379-F383 HydrophobicContact CE1-CD2 4.02Å; Y379-F383 WeakPolarHBondContact O-CB 3.27Å; Y379-F383 PolarHBondContact O-N 3.02Å; L380-F383 PolarHBondContact O-N 3.37Å; T381-F383 VanDerWaalsContact C-N 3.33Å; T381-F383 PolarHBondContact O-N 3.12Å; F383-Q385 PolarHBondContact O-N 2.95Å; F383-Q386 WeakPolarHBondContact O-CB 3.32Å; F383-Q386 PolarHBondContact O-N 3.42Å; F383-L387 HydrophobicContact CD1-CD1 4.24Å; F383-L387 HydrophobicContact CD1-CD2 4.24Å; F383-L387 HydrophobicContact CD1-CG 4.19Å; F383-L387 HydrophobicContact CE1-CD1 4.39Å; F383-L387 HydrophobicContact CE1-CD2 3.98Å; F383-L387 HydrophobicContact CE1-CG 4.39Å
384A93.2Very high91.8Very high19 Ų1973.4 Ų73.416%0.15739%0.389CS..Hα-helixtrans-58-35.3-177.700000113.5F363 L380 T381 Q386 L387 I394F363-A384 HydrophobicContact CD1-CB 3.85Å; F363-A384 HydrophobicContact CE1-CB 3.76Å; L380-A384 WeakPolarHBondContact O-CB 3.38Å; L380-A384 PolarHBondContact O-N 3.36Å; T381-A384 PolarHBondContact O-N 3.46Å; A384-Q386 PolarHBondContact O-N 2.85Å; A384-L387 WeakPolarHBondContact O-CB 3.43Å; A384-L387 PolarHBondContact O-N 3.09Å; A384-L387 VanDerWaalsContact O-N 3.09Å; A384-I394 HydrophobicContact CB-CD1 3.56Å
385Q92.9Very high91.7Very high152 Ų15271.9 Ų71.971%0.7138%0.379SS*.Hα-helixtrans-64.3-23.3176.5-75175.27.200113.8T381 F383 L387T381-Q385 WeakPolarHBondContact O-CG 3.47Å; T381-Q385 PolarHBondContact O-N 3.04Å; F383-Q385 PolarHBondContact O-N 2.95Å; Q385-L387 VanDerWaalsContact C-N 3.32Å
386Q93.3Very high91.7Very high156 Ų15668.7 Ų68.773%0.72936%0.355SS*.THydrogen-bonded Turntrans-85.2-10177.1-61.8172.43400112.3E382 F383 A384E382-Q386 WeakPolarHBondContact O-CG 3.37Å; E382-Q386 PolarHBondContact O-NE2 3.38Å; F383-Q386 WeakPolarHBondContact O-CB 3.32Å; F383-Q386 PolarHBondContact O-N 3.42Å; A384-Q386 PolarHBondContact O-N 2.85Å
387L91.1Very high91.7Very high24 Ų2467.4 Ų67.413%0.12635%0.348CS..SBendtrans-90.4141.3-177.5-60.2-178.6000111.4E360 F363 F383 A384 Q385 K389E360-L387 HydrophobicContact CB-CD2 4.04Å; E360-L387 HydrophobicContact CG-CD1 4.18Å; E360-L387 HydrophobicContact CG-CD2 3.61Å; E360-L387 HydrophobicContact CG-CG 4.48Å; F363-L387 HydrophobicContact CB-CD1 3.6Å; F363-L387 HydrophobicContact CD1-CD1 4.3Å; F363-L387 HydrophobicContact CD2-CD1 3.6Å; F363-L387 HydrophobicContact CE2-CD1 4.35Å; F363-L387 HydrophobicContact CG-CD1 3.58Å; F383-L387 HydrophobicContact CD1-CD1 4.24Å; F383-L387 HydrophobicContact CD1-CD2 4.24Å; F383-L387 HydrophobicContact CD1-CG 4.19Å; F383-L387 HydrophobicContact CE1-CD1 4.39Å; F383-L387 HydrophobicContact CE1-CD2 3.98Å; F383-L387 HydrophobicContact CE1-CG 4.39Å; A384-L387 WeakPolarHBondContact O-CB 3.43Å; A384-L387 PolarHBondContact O-N 3.09Å; A384-L387 VanDerWaalsContact O-N 3.09Å; Q385-L387 VanDerWaalsContact C-N 3.32Å; L387-K389 PolarHBondContact O-N 3.43Å
388P82.2Confident91.6Very high119 Ų11966.2 Ų66.277%0.77334%0.34SS*.SBendtrans-68.2-23.6179.725-32.1000113.3
389K77Confident91.5Very high176 Ų17665 Ų6577%0.76533%0.332SS*.  trans-156.8128.4177.4-121.3179.1179.3-175.20109.6L387L387-K389 PolarHBondContact O-N 3.43Å
390S81.5Confident91.1Very high47 Ų4761.8 Ų61.833%0.32932%0.319SS..  trans-131.7136.7168175.80000108.2F363 A392F363-S390 WeakPolarHBondContact O-CA 3.33Å; F363-S390 PolarHBondContact O-OG 3.33Å; S390-A392 PolarHBondContact OG-N 3.22Å
391K82.4Confident90.8Very high102 Ų10262 Ų6244%0.44332%0.321SS..  trans-96.1-12.8169.978.8172.9-173.71800112.3F363 K364 N365 F366 N367F363-K391 PolarHBondContact O-N 2.94Å; K364-K391 VanDerWaalsContact O-CD 3.23Å; K364-K391 WeakPolarHBondContact O-CD 3.26Å; K364-K391 WeakPolarHBondContact O-CE 3.4Å; N365-K391 VanDerWaalsContact C-CE 3.42Å; N365-K391 WeakPolarHBondContact O-CE 3.18Å; N365-K391 PolarHBondContact O-NZ 3.06Å; F366-K391 WeakPolarHBondContact O-CE 3.36Å; F366-K391 WeakPolarHBondContact O-CG 3.11Å; N367-K391 PolarHBondContact OD1-NZ 3.45Å; N367-K391 VanDerWaalsContact OD1-NZ 3.1Å
392A85.6Confident90.1Very high15 Ų1568.3 Ų68.312%0.12435%0.347CS..PPolyproline II helixtrans-73.4132.9-16800000111.9F363 N367 I369 S390F363-A392 HydrophobicContact CD1-CB 4.5Å; N367-A392 WeakPolarHBondContact O-CA 3.32Å; I369-A392 HydrophobicContact CB-CB 4.46Å; I369-A392 HydrophobicContact CD1-CB 3.6Å; I369-A392 HydrophobicContact CG1-CB 3.77Å; S390-A392 PolarHBondContact OG-N 3.22Å
393V88.3Confident89.7Confident63 Ų6366.5 Ų66.538%0.38235%0.347SS..EExtended strand (participates in β ladder)trans-83.9120.2166.31780000108.2N367 Y368 I369 Q395N367-V393 PolarHBondContact O-N 3.33Å; Y368-V393 WeakPolarHBondContact CA-O 3.4Å; Y368-V393 HydrophobicContact CD1-CB 3.95Å; Y368-V393 HydrophobicContact CD1-CG1 4.29Å; Y368-V393 HydrophobicContact CE1-CB 4.15Å; Y368-V393 HydrophobicContact CE1-CG1 4.33Å; I369-V393 PolarHBondContact N-O 3.11Å; V393-Q395 HydrophobicContact CG1-CG 3.98Å
394I93.9Very high89.4Confident35 Ų3565.3 Ų65.318%0.17934%0.343CS..EExtended strand (participates in β ladder)trans-102118.6-177.5-55.2169.8000109.4F363 I369 V377 L380 A384F363-I394 HydrophobicContact CD1-CD1 4.34Å; F363-I394 HydrophobicContact CE1-CD1 3.82Å; I369-I394 HydrophobicContact CB-CG1 4.5Å; I369-I394 WeakPolarHBondContact O-CA 3.5Å; V377-I394 HydrophobicContact CG1-CG2 4.24Å; L380-I394 HydrophobicContact CB-CD1 4.31Å; L380-I394 HydrophobicContact CB-CG2 3.73Å; L380-I394 HydrophobicContact CD1-CG2 4.27Å; L380-I394 WeakPolarHBondContact O-CD1 3.29Å; A384-I394 HydrophobicContact CB-CD1 3.56Å
395Q94.7Very high88.9Confident70 Ų7073.7 Ų73.733%0.32738%0.376SS..EExtended strand (participates in β ladder)trans-149.3170.7-177.2-68.5-173.1-4.300111.6I369 L370 G371 V393 Y400I369-Q395 PolarHBondContact O-N 3.13Å; L370-Q395 CarbonylContact C-O 3.6Å; L370-Q395 VanDerWaalsContact CA-O 3.29Å; L370-Q395 WeakPolarHBondContact CA-O 3.39Å; L370-Q395 HydrophobicContact CD2-CB 4.18Å; G371-Q395 PolarHBondContact N-O 3.39Å; V393-Q395 HydrophobicContact CG1-CG 3.98Å; Q395-Y400 PolarHBondContact OE1-OH 3.09Å
396L96.9Very high88.8Confident22 Ų2274 Ų7412%0.11538%0.377CS..EExtended strand (participates in β ladder)trans-75.6133168.8-70.9169.3000109.9G371 D373 V377 G398 S399 K407 I408G371-L396 CarbonylContact O-C 3.49Å; G371-L396 VanDerWaalsContact O-CA 3.31Å; G371-L396 WeakPolarHBondContact O-CA 3.37Å; D373-L396 WeakPolarHBondContact O-CD2 3.44Å; V377-L396 HydrophobicContact CG2-CD2 3.59Å; V377-L396 HydrophobicContact CG2-CG 3.9Å; L396-G398 VanDerWaalsContact C-N 3.31Å; L396-G398 PolarHBondContact O-N 2.86Å; L396-S399 VanDerWaalsContact O-CB 3.32Å; L396-S399 WeakPolarHBondContact O-CB 3.46Å; L396-S399 PolarHBondContact O-N 2.58Å; L396-S399 VanDerWaalsContact O-N 3.15Å; L396-S399 PolarHBondContact O-OG 2.67Å; L396-K407 HydrophobicContact CD1-CB 4.07Å; L396-I408 HydrophobicContact CD1-CD1 4.21Å; L396-I408 HydrophobicContact CD2-CD1 4.25Å
397L96Very high88.9Confident11 Ų1171.6 Ų71.66%0.05836%0.364CS..G310 helixtrans-58.9-46.4172.117658.1000110.3L370 G371 M372 S399 Y400 I409 A431L370-L397 HydrophobicContact CB-CB 4.08Å; L370-L397 HydrophobicContact CD1-CD1 3.77Å; G371-L397 PolarHBondContact O-N 3.45Å; M372-L397 HydrophobicContact CE-CD2 3.94Å; M372-L397 HydrophobicContact SD-CB 4.26Å; M372-L397 HydrophobicContact SD-CD2 3.93Å; L397-S399 PolarHBondContact O-N 3.07Å; L397-Y400 VanDerWaalsContact O-CD2 3.27Å; L397-Y400 WeakPolarHBondContact O-CD2 3.2Å; L397-Y400 PolarHBondContact O-N 3.43Å; L397-Y400 VanDerWaalsContact O-N 3.15Å; L397-I409 HydrophobicContact CB-CD1 4.03Å; L397-I409 HydrophobicContact CD2-CD1 3.75Å; L397-I409 HydrophobicContact CG-CD1 3.81Å; L397-A431 HydrophobicContact CD1-CB 3.98Å; L397-A431 HydrophobicContact CG-CB 3.8Å; L397-A431 WeakPolarHBondContact O-CB 3.31Å
398G95.2Very high89.2Confident0 Ų072.4 Ų72.40%037%0.368CS..G310 helixtrans-66.5-5.6-179.300000114.6L396 Y400 D401 K407L396-G398 VanDerWaalsContact C-N 3.31Å; L396-G398 PolarHBondContact O-N 2.86Å; G398-Y400 PolarHBondContact O-N 2.76Å; G398-D401 PolarHBondContact O-N 3.22Å; G398-K407 CarbonylContact C-O 3.51Å; G398-K407 WeakPolarHBondContact CA-O 3.3Å
399S94.7Very high89.8Confident41 Ų4167 Ų6729%0.28733%0.333SS..G310 helixtrans-68-16.917271.70000113.8L396 L397L396-S399 VanDerWaalsContact O-CB 3.32Å; L396-S399 WeakPolarHBondContact O-CB 3.46Å; L396-S399 PolarHBondContact O-N 2.58Å; L396-S399 VanDerWaalsContact O-N 3.15Å; L396-S399 PolarHBondContact O-OG 2.67Å; L397-S399 PolarHBondContact O-N 3.07Å
400Y89.9Confident90.6Very high17 Ų1761.6 Ų61.67%0.06732%0.316CS..G310 helixtrans-89.9-8.7177-59.6-70.9000113.7L370 Q395 L397 G398 A431 G434 L435 H438L370-Y400 HydrophobicContact CD1-CE2 4.31Å; L370-Y400 HydrophobicContact CD2-CE2 3.87Å; Q395-Y400 PolarHBondContact OE1-OH 3.09Å; L397-Y400 VanDerWaalsContact O-CD2 3.27Å; L397-Y400 WeakPolarHBondContact O-CD2 3.2Å; L397-Y400 PolarHBondContact O-N 3.43Å; L397-Y400 VanDerWaalsContact O-N 3.15Å; G398-Y400 PolarHBondContact O-N 2.76Å; Y400-A431 VanDerWaalsContact CB-O 3.29Å; Y400-A431 WeakPolarHBondContact CB-O 3.43Å; Y400-G434 WeakPolarHBondContact O-CA 3.41Å; Y400-L435 HydrophobicContact CD1-CB 4.28Å; Y400-L435 HydrophobicContact CD1-CD1 4.22Å; Y400-L435 HydrophobicContact CD2-CB 3.81Å; Y400-L435 HydrophobicContact CD2-CD1 3.9Å; Y400-L435 HydrophobicContact CD2-CG 4.36Å; Y400-L435 HydrophobicContact CE1-CD1 3.84Å; Y400-L435 HydrophobicContact CE2-CB 4.31Å; Y400-L435 HydrophobicContact CE2-CD1 3.49Å; Y400-L435 VanDerWaalsContact CE2-CD1 3.49Å; Y400-L435 HydrophobicContact CE2-CG 4.38Å; Y400-L435 HydrophobicContact CG-CB 3.79Å; Y400-L435 HydrophobicContact CG-CD1 4.25Å; Y400-L435 VanDerWaalsContact CZ-CD1 3.44Å; Y400-H438 HydrophobicContact CD1-CB 3.81Å; Y400-H438 AromaticContact CD1-CG 3.98Å; Y400-H438 HydrophobicContact CE1-CB 3.94Å; Y400-H438 AromaticContact CE1-CD2 3.6Å; Y400-H438 AromaticContact CE1-CG 3.71Å
401D89.5Confident91.1Very high14 Ų1464.1 Ų64.18%0.07533%0.325CS..  trans-9599.8170.8179.34.9000110.1G398 S403 N404 K430 A431G398-D401 PolarHBondContact O-N 3.22Å; D401-S403 VanDerWaalsContact CG-OG 3.3Å; D401-S403 PolarHBondContact O-N 2.77Å; D401-S403 VanDerWaalsContact O-N 3.13Å; D401-S403 WeakPolarHBondContact OD1-CA 3.29Å; D401-S403 VanDerWaalsContact OD1-CB 3.3Å; D401-S403 WeakPolarHBondContact OD1-CB 3.36Å; D401-S403 PolarHBondContact OD1-N 3.49Å; D401-S403 PolarHBondContact OD1-OG 3.01Å; D401-S403 PolarHBondContact OD2-OG 3.1Å; D401-N404 HydrophobicContact CB-CB 3.91Å; D401-N404 PolarHBondContact O-N 3.12Å; D401-N404 PolarHBondContact OD1-N 3.22Å; D401-N404 WeakPolarHBondContact OD2-CB 3.33Å; D401-K430 HydrophobicContact CB-CB 4.32Å; D401-A431 HydrophobicContact CB-CB 4.17Å
402E82Confident91.7Very high185 Ų18560.1 Ų60.186%0.86431%0.31SS*.THydrogen-bonded Turntrans-59.5-23.8178-64.9-176.2176.500113.5N404E402-N404 VanDerWaalsContact C-N 3.35Å
403S87.4Confident91.8Very high82 Ų8264.3 Ų64.357%0.57332%0.324SS*.THydrogen-bonded Turntrans-78.1-23.7176.678.90000112.3D401 K405D401-S403 VanDerWaalsContact CG-OG 3.3Å; D401-S403 PolarHBondContact O-N 2.77Å; D401-S403 VanDerWaalsContact O-N 3.13Å; D401-S403 WeakPolarHBondContact OD1-CA 3.29Å; D401-S403 VanDerWaalsContact OD1-CB 3.3Å; D401-S403 WeakPolarHBondContact OD1-CB 3.36Å; D401-S403 PolarHBondContact OD1-N 3.49Å; D401-S403 PolarHBondContact OD1-OG 3.01Å; D401-S403 PolarHBondContact OD2-OG 3.1Å; S403-K405 PolarHBondContact O-N 3.29Å
404N89.4Confident91.8Very high21 Ų2170.7 Ų70.711%0.11234%0.342CS..  trans-86.289.9175.7-174.52000111D401 E402 E406 K407 I408 L427D401-N404 HydrophobicContact CB-CB 3.91Å; D401-N404 PolarHBondContact O-N 3.12Å; D401-N404 PolarHBondContact OD1-N 3.22Å; D401-N404 WeakPolarHBondContact OD2-CB 3.33Å; E402-N404 VanDerWaalsContact C-N 3.35Å; N404-E406 VanDerWaalsContact C-N 3.25Å; N404-E406 PolarHBondContact O-N 3.36Å; N404-E406 PolarHBondContact OD1-N 3.32Å; N404-K407 PolarHBondContact O-N 2.91Å; N404-K407 VanDerWaalsContact O-N 3.1Å; N404-K407 PolarHBondContact OD1-N 3.42Å; N404-I408 PolarHBondContact ND2-O 3.11Å; N404-L427 HydrophobicContact CB-CD2 4.29Å
405K83.9Confident91.7Very high195 Ų19571.7 Ų71.785%0.84835%0.35SS*.THydrogen-bonded Turntrans-61.4-31.3179.5-65.6-169.5179.6-176.20114.1S403 K407S403-K405 PolarHBondContact O-N 3.29Å; K405-K407 VanDerWaalsContact C-N 3.32Å
406E90.4Very high91.3Very high160 Ų16080 Ų8075%0.74838%0.378SS*.THydrogen-bonded Turntrans-77.1-23.7179.4-66.5-173.1-177.800111.4N404 I408N404-E406 VanDerWaalsContact C-N 3.25Å; N404-E406 PolarHBondContact O-N 3.36Å; N404-E406 PolarHBondContact OD1-N 3.32Å; E406-I408 WeakPolarHBondContact O-CG1 3.45Å; E406-I408 PolarHBondContact O-N 3.22Å
407K94.5Very high90.9Very high105 Ų10581.1 Ų81.146%0.45740%0.395SS..  trans61.5-6.4-174.9-51.3176.6-179.3-178.70114.8L396 G398 N404 K405L396-K407 HydrophobicContact CD1-CB 4.07Å; G398-K407 CarbonylContact C-O 3.51Å; G398-K407 WeakPolarHBondContact CA-O 3.3Å; N404-K407 PolarHBondContact O-N 2.91Å; N404-K407 VanDerWaalsContact O-N 3.1Å; N404-K407 PolarHBondContact OD1-N 3.42Å; K405-K407 VanDerWaalsContact C-N 3.32Å
408I97.1Very high90.8Very high40 Ų4084 Ų8421%0.20541%0.41CS..  trans-81.4139.2175.5-56.3-58.3000109D373 L396 N404 E406D373-I408 HydrophobicContact CB-CD1 4.17Å; D373-I408 HydrophobicContact CB-CG2 3.97Å; L396-I408 HydrophobicContact CD1-CD1 4.21Å; L396-I408 HydrophobicContact CD2-CD1 4.25Å; N404-I408 PolarHBondContact ND2-O 3.11Å; E406-I408 WeakPolarHBondContact O-CG1 3.45Å; E406-I408 PolarHBondContact O-N 3.22Å
409I95.8Very high90.8Very high5 Ų590.6 Ų90.63%0.02645%0.445CS..  trans-107107.9166.7-61.8179.6000106.3M372 L397 V424 L427 A431M372-I409 HydrophobicContact CB-CB 4.31Å; M372-I409 PolarHBondContact O-N 3.19Å; M372-I409 HydrophobicContact SD-CB 4.25Å; M372-I409 HydrophobicContact SD-CD1 4.07Å; M372-I409 HydrophobicContact SD-CG2 4.36Å; L397-I409 HydrophobicContact CB-CD1 4.03Å; L397-I409 HydrophobicContact CD2-CD1 3.75Å; L397-I409 HydrophobicContact CG-CD1 3.81Å; I409-V424 HydrophobicContact CG2-CG1 3.85Å; I409-L427 HydrophobicContact CG1-CB 4.39Å; I409-A431 HydrophobicContact CD1-CB 4.39Å
410P93.7Very high90.7Very high63 Ų6390 Ų9041%0.40944%0.441SS..  trans-72.4142.6-170.928-33.8000111.6P412 V424P410-P412 VanDerWaalsContact O-CD 3.3Å; P410-P412 WeakPolarHBondContact O-CD 3.49Å; P410-V424 HydrophobicContact CG-CG2 4.28Å; P410-V424 WeakPolarHBondContact O-CG2 3.28Å
411D92.5Very high91Very high100 Ų10089.7 Ų89.754%0.53544%0.44SS..  trans-67.9115.6172.6-176.8-4.9000110.5Y413D411-Y413 PolarHBondContact O-N 2.93Å; D411-Y413 WeakPolarHBondContact OD1-CB 3.25Å; D411-Y413 PolarHBondContact OD1-N 3.49Å
412P93.7Very high91.3Very high19 Ų1990.8 Ų90.812%0.12344%0.444CS..  trans-78.8-6.2-17834.2-34.6000112.7P410 Y414 T415 F421 V424P410-P412 VanDerWaalsContact O-CD 3.3Å; P410-P412 WeakPolarHBondContact O-CD 3.49Å; P412-Y414 VanDerWaalsContact C-N 3.32Å; P412-Y414 PolarHBondContact O-N 3.33Å; P412-Y414 VanDerWaalsContact O-N 3.16Å; P412-T415 WeakPolarHBondContact O-CB 3.06Å; P412-T415 PolarHBondContact O-N 3.06Å; P412-T415 PolarHBondContact O-OG1 3.01Å; P412-F421 HydrophobicContact CB-CD1 4.22Å; P412-F421 HydrophobicContact CB-CD2 3.84Å; P412-F421 HydrophobicContact CB-CE1 4.22Å; P412-F421 HydrophobicContact CB-CE2 3.8Å; P412-F421 HydrophobicContact CB-CG 4.03Å; P412-F421 HydrophobicContact CB-CZ 4Å; P412-F421 HydrophobicContact CG-CD1 3.78Å; P412-F421 HydrophobicContact CG-CD2 4.31Å; P412-F421 HydrophobicContact CG-CE1 3.7Å; P412-F421 HydrophobicContact CG-CE2 4.2Å; P412-F421 HydrophobicContact CG-CG 4.09Å; P412-F421 HydrophobicContact CG-CZ 3.9Å; P412-F421 WeakPolarHBondContact O-CE2 3.15Å; P412-V424 HydrophobicContact CB-CG2 4.06Å; P412-V424 HydrophobicContact CG-CB 4.41Å; P412-V424 HydrophobicContact CG-CG2 4.06Å
413Y89Confident91.9Very high103 Ų10386.2 Ų86.240%0.40443%0.426SS..THydrogen-bonded Turntrans-53.5-43.5-167.2-175.2-103.8000114.2R338 D411 T415R338-Y413 PolarHBondContact NH1-O 3.29Å; R338-Y413 PolarHBondContact NH2-O 2.97Å; D411-Y413 PolarHBondContact O-N 2.93Å; D411-Y413 WeakPolarHBondContact OD1-CB 3.25Å; D411-Y413 PolarHBondContact OD1-N 3.49Å; Y413-T415 VanDerWaalsContact C-N 3.26Å; Y413-T415 PolarHBondContact O-N 2.83Å
414Y88.5Confident92.2Very high197 Ų19783.4 Ų83.477%0.77341%0.405SS*.THydrogen-bonded Turntrans-79.5-1.2-175.8-58.6-76.9000114.7P412P412-Y414 VanDerWaalsContact C-N 3.32Å; P412-Y414 PolarHBondContact O-N 3.33Å; P412-Y414 VanDerWaalsContact O-N 3.16Å
415T90.4Very high92.4Very high55 Ų5584.3 Ų84.334%0.33741%0.407SS..SBendtrans-89.8163.9-178.567.20000112R338 P412 Y413 S420R338-T415 PolarHBondContact NH1-O 3.11Å; P412-T415 WeakPolarHBondContact O-CB 3.06Å; P412-T415 PolarHBondContact O-N 3.06Å; P412-T415 PolarHBondContact O-OG1 3.01Å; Y413-T415 VanDerWaalsContact C-N 3.26Å; Y413-T415 PolarHBondContact O-N 2.83Å; T415-S420 VanDerWaalsContact OG1-CB 3.23Å; T415-S420 WeakPolarHBondContact OG1-CB 3.06Å; T415-S420 PolarHBondContact OG1-OG 3.28Å
416R87Confident92.8Very high246 Ų24678.2 Ų78.293%0.92838%0.382SS*.SBendtrans-103.2141.8172.5-69.4-174.1179.2-1760.7110.2
417G89.3Confident92.9Very high45 Ų4571.8 Ų71.846%0.46435%0.353SS..SBendtrans90.3-169.2177.900000113.6
418L93Very high92.9Very high71 Ų7168.3 Ų68.337%0.37234%0.341SS..SBendtrans-103.2-18.7-179.5-67.5174.8000113.1R338 K341 V342 S420 F421 E422R338-L418 HydrophobicContact CB-CD2 3.79Å; R338-L418 HydrophobicContact CG-CD2 3.91Å; K341-L418 HydrophobicContact CB-CD2 4.31Å; K341-L418 HydrophobicContact CD-CD1 4.47Å; K341-L418 HydrophobicContact CD-CD2 4.43Å; V342-L418 HydrophobicContact CG2-CD2 4.49Å; L418-S420 VanDerWaalsContact C-N 3.29Å; L418-S420 PolarHBondContact O-N 3.23Å; L418-F421 WeakPolarHBondContact O-CB 3.22Å; L418-F421 PolarHBondContact O-N 3.36Å; L418-E422 PolarHBondContact O-N 2.97Å
419D94.2Very high92.5Very high138 Ų13870.4 Ų70.474%0.73835%0.352SS*.Hα-helixtrans-59.9-37.8-170.8-59-20.3000113E422 N423D419-E422 WeakPolarHBondContact O-CB 3.42Å; D419-E422 PolarHBondContact O-N 3.25Å; D419-N423 WeakPolarHBondContact O-CB 3.34Å; D419-N423 PolarHBondContact O-N 3.1Å
420S94.1Very high91.9Very high28 Ų2874.8 Ų74.820%0.19637%0.371CS..Hα-helixtrans-66.1-41.2174.5470000112.7T415 L418 N423 V424T415-S420 VanDerWaalsContact OG1-CB 3.23Å; T415-S420 WeakPolarHBondContact OG1-CB 3.06Å; T415-S420 PolarHBondContact OG1-OG 3.28Å; L418-S420 VanDerWaalsContact C-N 3.29Å; L418-S420 PolarHBondContact O-N 3.23Å; S420-N423 PolarHBondContact O-N 3.17Å; S420-V424 VanDerWaalsContact O-CG2 3.3Å; S420-V424 WeakPolarHBondContact O-CG2 3.47Å; S420-V424 PolarHBondContact O-N 2.85Å
421F96.4Very high91.8Very high11 Ų1171.8 Ų71.85%0.04835%0.352CS..Hα-helixtrans-67.5-38.3176.1-73.9-100.6000111.2D336 R338 T339 V342 P412 L418 V424 Y425D336-F421 HydrophobicContact CB-CE1 4.31Å; R338-F421 HydrophobicContact CB-CD1 3.81Å; R338-F421 HydrophobicContact CB-CD2 3.84Å; R338-F421 HydrophobicContact CB-CE1 3.78Å; R338-F421 HydrophobicContact CB-CE2 3.84Å; R338-F421 HydrophobicContact CB-CG 3.85Å; R338-F421 HydrophobicContact CB-CZ 3.81Å; R338-F421 HydrophobicContact CG-CE2 4.31Å; R338-F421 HydrophobicContact CG-CZ 4.48Å; R338-F421 VanDerWaalsContact CZ-CE2 3.44Å; T339-F421 WeakPolarHBondContact OG1-CD1 3.4Å; T339-F421 WeakPolarHBondContact OG1-CE1 3.41Å; V342-F421 HydrophobicContact CG2-CB 3.79Å; P412-F421 HydrophobicContact CB-CD1 4.22Å; P412-F421 HydrophobicContact CB-CD2 3.84Å; P412-F421 HydrophobicContact CB-CE1 4.22Å; P412-F421 HydrophobicContact CB-CE2 3.8Å; P412-F421 HydrophobicContact CB-CG 4.03Å; P412-F421 HydrophobicContact CB-CZ 4Å; P412-F421 HydrophobicContact CG-CD1 3.78Å; P412-F421 HydrophobicContact CG-CD2 4.31Å; P412-F421 HydrophobicContact CG-CE1 3.7Å; P412-F421 HydrophobicContact CG-CE2 4.2Å; P412-F421 HydrophobicContact CG-CG 4.09Å; P412-F421 HydrophobicContact CG-CZ 3.9Å; P412-F421 WeakPolarHBondContact O-CE2 3.15Å; L418-F421 WeakPolarHBondContact O-CB 3.22Å; L418-F421 PolarHBondContact O-N 3.36Å; F421-V424 PolarHBondContact O-N 3.3Å; F421-Y425 WeakPolarHBondContact O-CB 3.35Å; F421-Y425 PolarHBondContact O-N 3.37Å
422E94.8Very high91.5Very high37 Ų3769.6 Ų69.617%0.17334%0.343CS..Hα-helixtrans-62-46.5172.8-168.280.9-167.600111.1K345 H346 L418 D419 V424 Y425 E426K345-E422 IonicContact NZ-OE1 3.8Å; K345-E422 PolarHBondContact NZ-OE1 3.15Å; K345-E422 IonicContact NZ-OE2 3.5Å; K345-E422 PolarHBondContact NZ-OE2 3.28Å; H346-E422 IonicContact CD2-OE1 3.25Å; H346-E422 IonicContact CE1-OE1 2.74Å; H346-E422 IonicContact NE2-OE1 3.72Å; H346-E422 PolarHBondContact NE2-OE1 2.9Å; L418-E422 PolarHBondContact O-N 2.97Å; D419-E422 WeakPolarHBondContact O-CB 3.42Å; D419-E422 PolarHBondContact O-N 3.25Å; E422-V424 VanDerWaalsContact C-N 3.33Å; E422-V424 PolarHBondContact O-N 3.21Å; E422-Y425 WeakPolarHBondContact O-CB 3.33Å; E422-Y425 PolarHBondContact O-N 3.17Å; E422-E426 WeakPolarHBondContact O-CG 3.46Å; E422-E426 PolarHBondContact O-N 2.81Å
423N94.1Very high90.6Very high90 Ų9072.6 Ų72.648%0.48136%0.358SS..Hα-helixtrans-62.8-40.3178-174.968.8000112.1D419 S420 E426 L427D419-N423 WeakPolarHBondContact O-CB 3.34Å; D419-N423 PolarHBondContact O-N 3.1Å; S420-N423 PolarHBondContact O-N 3.17Å; N423-E426 PolarHBondContact O-N 3.28Å; N423-L427 WeakPolarHBondContact O-CG 3.47Å; N423-L427 PolarHBondContact O-N 2.85Å
424V95.3Very high90.2Very high22 Ų2268 Ų6813%0.13334%0.342CS..Hα-helixtrans-65.3-41174.9168.70000111.3I409 P410 P412 S420 F421 E422 E426 L427 C428I409-V424 HydrophobicContact CG2-CG1 3.85Å; P410-V424 HydrophobicContact CG-CG2 4.28Å; P410-V424 WeakPolarHBondContact O-CG2 3.28Å; P412-V424 HydrophobicContact CB-CG2 4.06Å; P412-V424 HydrophobicContact CG-CB 4.41Å; P412-V424 HydrophobicContact CG-CG2 4.06Å; S420-V424 VanDerWaalsContact O-CG2 3.3Å; S420-V424 WeakPolarHBondContact O-CG2 3.47Å; S420-V424 PolarHBondContact O-N 2.85Å; F421-V424 PolarHBondContact O-N 3.3Å; E422-V424 VanDerWaalsContact C-N 3.33Å; E422-V424 PolarHBondContact O-N 3.21Å; V424-E426 VanDerWaalsContact C-N 3.35Å; V424-E426 PolarHBondContact O-N 2.86Å; V424-L427 PolarHBondContact O-N 3.32Å; V424-C428 WeakPolarHBondContact O-CB 3.43Å; V424-C428 PolarHBondContact O-N 3.06Å; V424-C428 PolarHBondContact O-SG 3.07Å; V424-C428 VanDerWaalsContact O-SG 3.35Å
425Y93.6Very high90Very high40 Ų4059.2 Ų59.216%0.15731%0.309CS..Hα-helixtrans-57.3-47.9173.7173.3-90.3000111.5V342 L343 H346 I348 F421 E422 L427 C428 L429V342-Y425 HydrophobicContact CG1-CD2 4.27Å; V342-Y425 HydrophobicContact CG1-CG 3.91Å; L343-Y425 HydrophobicContact CD2-CD2 4.07Å; L343-Y425 HydrophobicContact CD2-CE2 4.03Å; H346-Y425 HydrophobicContact CB-CE1 4.04Å; H346-Y425 HydrophobicContact CB-CE2 4.23Å; H346-Y425 WeakPolarHBondContact CB-OH 3.34Å; H346-Y425 AromaticContact CD2-CD1 3.58Å; H346-Y425 AromaticContact CD2-CE1 3.37Å; H346-Y425 WeakPolarHBondContact CD2-CE1 3.25Å; H346-Y425 AromaticContact CD2-CZ 3.77Å; H346-Y425 AromaticContact CE1-CD1 3.94Å; H346-Y425 AromaticContact CE1-CE1 3.52Å; H346-Y425 AromaticContact CG-CE1 3.38Å; H346-Y425 AromaticContact CG-CZ 3.52Å; H346-Y425 AromaticContact ND1-CE1 3.52Å; H346-Y425 AromaticContact ND1-CZ 3.99Å; H346-Y425 AromaticContact NE2-CD1 3.5Å; H346-Y425 WeakPolarHBondContact NE2-CD1 3.48Å; H346-Y425 AromaticContact NE2-CE1 3.46Å; H346-Y425 WeakPolarHBondContact NE2-CE1 3.44Å; I348-Y425 HydrophobicContact CD1-CE2 4.18Å; F421-Y425 WeakPolarHBondContact O-CB 3.35Å; F421-Y425 PolarHBondContact O-N 3.37Å; E422-Y425 WeakPolarHBondContact O-CB 3.33Å; E422-Y425 PolarHBondContact O-N 3.17Å; Y425-L427 PolarHBondContact O-N 3.04Å; Y425-C428 PolarHBondContact O-N 2.76Å; Y425-L429 HydrophobicContact CE1-CD2 4Å; Y425-L429 VanDerWaalsContact O-CB 3.31Å; Y425-L429 WeakPolarHBondContact O-CB 3.44Å; Y425-L429 PolarHBondContact O-N 3.07Å
426E90.8Very high89.1Confident67 Ų6760.4 Ų60.431%0.31331%0.313SS..Hα-helixtrans-62.3-41178-72.4-68.3153.700112.7H346 E422 N423 V424 L429 K430H346-E426 IonicContact CE1-OE1 3.68Å; E422-E426 WeakPolarHBondContact O-CG 3.46Å; E422-E426 PolarHBondContact O-N 2.81Å; N423-E426 PolarHBondContact O-N 3.28Å; V424-E426 VanDerWaalsContact C-N 3.35Å; V424-E426 PolarHBondContact O-N 2.86Å; E426-L429 PolarHBondContact O-N 2.59Å; E426-K430 WeakPolarHBondContact O-CG 3.19Å; E426-K430 PolarHBondContact O-N 2.56Å
427L93.9Very high88Confident26 Ų2655 Ų5514%0.13629%0.292CS..Hα-helixtrans-64.1-47.1175.3-73.4170.8000111.5N404 I409 N423 V424 Y425 L429 K430 A431N404-L427 HydrophobicContact CB-CD2 4.29Å; I409-L427 HydrophobicContact CG1-CB 4.39Å; N423-L427 WeakPolarHBondContact O-CG 3.47Å; N423-L427 PolarHBondContact O-N 2.85Å; V424-L427 PolarHBondContact O-N 3.32Å; Y425-L427 PolarHBondContact O-N 3.04Å; L427-L429 VanDerWaalsContact C-N 3.34Å; L427-L429 PolarHBondContact O-N 3.16Å; L427-K430 PolarHBondContact O-N 3.37Å; L427-A431 WeakPolarHBondContact O-CB 3.35Å; L427-A431 PolarHBondContact O-N 3.07Å
428C93.3Very high87.1Confident31 Ų3158.4 Ų58.421%0.20930%0.296CS..Hα-helixtrans-59.8-45.3175.6-73.20000111.1V424 Y425 K430 A431 C432V424-C428 WeakPolarHBondContact O-CB 3.43Å; V424-C428 PolarHBondContact O-N 3.06Å; V424-C428 PolarHBondContact O-SG 3.07Å; V424-C428 VanDerWaalsContact O-SG 3.35Å; Y425-C428 PolarHBondContact O-N 2.76Å; C428-K430 PolarHBondContact O-N 2.97Å; C428-A431 PolarHBondContact O-N 3.07Å; C428-C432 WeakPolarHBondContact O-CB 3.35Å; C428-C432 PolarHBondContact O-N 3.35Å; C428-C432 PolarHBondContact O-SG 3.11Å
429L88.4Confident85.6Confident84 Ų8456.8 Ų56.844%0.4429%0.293SS..Hα-helixtrans-61.5-47.6-178.5-174.565.9000111.5Y425 E426 L427 C432 D433Y425-L429 HydrophobicContact CE1-CD2 4Å; Y425-L429 VanDerWaalsContact O-CB 3.31Å; Y425-L429 WeakPolarHBondContact O-CB 3.44Å; Y425-L429 PolarHBondContact O-N 3.07Å; E426-L429 PolarHBondContact O-N 2.59Å; L427-L429 VanDerWaalsContact C-N 3.34Å; L427-L429 PolarHBondContact O-N 3.16Å; L429-C432 PolarHBondContact O-N 3.44Å; L429-D433 WeakPolarHBondContact O-CB 3.4Å; L429-D433 PolarHBondContact O-N 3.28Å
430K84.1Confident83.5Confident97 Ų9754.3 Ų54.342%0.42228%0.277SS..Hα-helixtrans-63.4-41.4176.6-72.2173.3-176.31750112.6D401 E426 L427 C428 D433 G434D401-K430 HydrophobicContact CB-CB 4.32Å; E426-K430 WeakPolarHBondContact O-CG 3.19Å; E426-K430 PolarHBondContact O-N 2.56Å; L427-K430 PolarHBondContact O-N 3.37Å; C428-K430 PolarHBondContact O-N 2.97Å; K430-D433 PolarHBondContact O-N 2.82Å; K430-G434 PolarHBondContact O-N 2.93Å
431A90.6Very high81.1Confident0 Ų056.3 Ų56.30%029%0.289CS..Hα-helixtrans-65.9-42.9177.400000111.8L397 Y400 D401 I409 L427 C428 G434 L435L397-A431 HydrophobicContact CD1-CB 3.98Å; L397-A431 HydrophobicContact CG-CB 3.8Å; L397-A431 WeakPolarHBondContact O-CB 3.31Å; Y400-A431 VanDerWaalsContact CB-O 3.29Å; Y400-A431 WeakPolarHBondContact CB-O 3.43Å; D401-A431 HydrophobicContact CB-CB 4.17Å; I409-A431 HydrophobicContact CD1-CB 4.39Å; L427-A431 WeakPolarHBondContact O-CB 3.35Å; L427-A431 PolarHBondContact O-N 3.07Å; C428-A431 PolarHBondContact O-N 3.07Å; A431-G434 PolarHBondContact O-N 3.12Å; A431-L435 WeakPolarHBondContact O-CB 3.44Å; A431-L435 PolarHBondContact O-N 3.24Å
432C87.3Confident78.8Confident54 Ų5462.1 Ų62.137%0.36532%0.318SS..Hα-helixtrans-61.1-43.4174.3-72.50000111.5C428 L429 G434 L435 L436C428-C432 WeakPolarHBondContact O-CB 3.35Å; C428-C432 PolarHBondContact O-N 3.35Å; C428-C432 PolarHBondContact O-SG 3.11Å; L429-C432 PolarHBondContact O-N 3.44Å; C432-G434 VanDerWaalsContact C-N 3.34Å; C432-G434 PolarHBondContact O-N 2.96Å; C432-L435 WeakPolarHBondContact O-CB 3.43Å; C432-L435 PolarHBondContact O-N 2.99Å; C432-L436 VanDerWaalsContact O-CG 3.32Å; C432-L436 WeakPolarHBondContact O-CG 3.31Å; C432-L436 PolarHBondContact O-N 3.43Å
433D75.6Confident77Confident82 Ų8263.1 Ų63.144%0.43932%0.323SS..Hα-helixtrans-62.2-41.6175.8-171.265.6000111.9L429 K430 L436 R437L429-D433 WeakPolarHBondContact O-CB 3.4Å; L429-D433 PolarHBondContact O-N 3.28Å; K430-D433 PolarHBondContact O-N 2.82Å; D433-L436 PolarHBondContact O-N 3.47Å; D433-R437 WeakPolarHBondContact O-CG 3.23Å; D433-R437 PolarHBondContact O-N 3.33Å; D433-R437 VanDerWaalsContact O-N 3.1Å; D433-R437 PolarHBondContact O-NE 2.83Å; D433-R437 IonicContact OD2-CZ 2.83Å; D433-R437 VanDerWaalsContact OD2-CZ 3.28Å; D433-R437 IonicContact OD2-NE 2.84Å; D433-R437 PolarHBondContact OD2-NE 3.22Å; D433-R437 IonicContact OD2-NH2 3.49Å; D433-R437 PolarHBondContact OD2-NH2 3.47Å
434G79.2Confident75.6Confident6 Ų665.3 Ų65.36%0.06233%0.328CS..Hα-helixtrans-65.2-37.3173.100000113.8Y400 K430 A431 C432 R437 H438Y400-G434 WeakPolarHBondContact O-CA 3.41Å; K430-G434 PolarHBondContact O-N 2.93Å; A431-G434 PolarHBondContact O-N 3.12Å; C432-G434 VanDerWaalsContact C-N 3.34Å; C432-G434 PolarHBondContact O-N 2.96Å; G434-R437 PolarHBondContact O-N 3.26Å; G434-H438 WeakPolarHBondContact O-CB 3.3Å; G434-H438 PolarHBondContact O-N 3.37Å
435L84.5Confident74.5Confident14 Ų1465 Ų657%0.07333%0.326CS..Hα-helixtrans-64.6-46176.916867.3000110.2L370 Y400 A431 C432 R437 H438 A439L370-L435 HydrophobicContact CD1-CD1 4.42Å; L370-L435 HydrophobicContact CD1-CD2 3.54Å; Y400-L435 HydrophobicContact CD1-CB 4.28Å; Y400-L435 HydrophobicContact CD1-CD1 4.22Å; Y400-L435 HydrophobicContact CD2-CB 3.81Å; Y400-L435 HydrophobicContact CD2-CD1 3.9Å; Y400-L435 HydrophobicContact CD2-CG 4.36Å; Y400-L435 HydrophobicContact CE1-CD1 3.84Å; Y400-L435 HydrophobicContact CE2-CB 4.31Å; Y400-L435 HydrophobicContact CE2-CD1 3.49Å; Y400-L435 VanDerWaalsContact CE2-CD1 3.49Å; Y400-L435 HydrophobicContact CE2-CG 4.38Å; Y400-L435 HydrophobicContact CG-CB 3.79Å; Y400-L435 HydrophobicContact CG-CD1 4.25Å; Y400-L435 VanDerWaalsContact CZ-CD1 3.44Å; A431-L435 WeakPolarHBondContact O-CB 3.44Å; A431-L435 PolarHBondContact O-N 3.24Å; C432-L435 WeakPolarHBondContact O-CB 3.43Å; C432-L435 PolarHBondContact O-N 2.99Å; L435-R437 VanDerWaalsContact C-N 3.32Å; L435-R437 PolarHBondContact O-N 2.88Å; L435-H438 PolarHBondContact O-N 3.24Å; L435-H438 VanDerWaalsContact O-N 3.11Å; L435-A439 WeakPolarHBondContact O-CB 3.34Å; L435-A439 PolarHBondContact O-N 2.61Å
436L72.3Confident73.9Confident79 Ų7965 Ų6541%0.41433%0.329SS..Hα-helixtrans-58.5-46.8176.8-70.1169.9000110.1W319 C432 D433 H438 A439 E440W319-L436 HydrophobicContact CD2-CD2 4.44Å; W319-L436 HydrophobicContact CZ2-CD2 3.79Å; C432-L436 VanDerWaalsContact O-CG 3.32Å; C432-L436 WeakPolarHBondContact O-CG 3.31Å; C432-L436 PolarHBondContact O-N 3.43Å; D433-L436 PolarHBondContact O-N 3.47Å; L436-H438 VanDerWaalsContact C-N 3.31Å; L436-H438 PolarHBondContact O-N 3.43Å; L436-A439 PolarHBondContact O-N 2.89Å; L436-E440 WeakPolarHBondContact O-CG 3.5Å; L436-E440 PolarHBondContact O-N 3.31Å; L436-E440 VanDerWaalsContact O-N 3.14Å
437R63.8Low73.7Confident133 Ų13362 Ų6250%0.50231%0.314SS..Hα-helixtrans-61.6-34.3174.3-73.2-175.1-90.9122.6-7.5113.8D433 G434 L435D433-R437 WeakPolarHBondContact O-CG 3.23Å; D433-R437 PolarHBondContact O-N 3.33Å; D433-R437 VanDerWaalsContact O-N 3.1Å; D433-R437 PolarHBondContact O-NE 2.83Å; D433-R437 IonicContact OD2-CZ 2.83Å; D433-R437 VanDerWaalsContact OD2-CZ 3.28Å; D433-R437 IonicContact OD2-NE 2.84Å; D433-R437 PolarHBondContact OD2-NE 3.22Å; D433-R437 IonicContact OD2-NH2 3.49Å; D433-R437 PolarHBondContact OD2-NH2 3.47Å; G434-R437 PolarHBondContact O-N 3.26Å; L435-R437 VanDerWaalsContact C-N 3.32Å; L435-R437 PolarHBondContact O-N 2.88Å
438H69.8Low73.4Confident117 Ų11762.2 Ų62.254%0.54231%0.314SS..Hα-helixtrans-75.6-39.1178.2-17685.1000112.8Y400 G434 L435 L436 E440Y400-H438 HydrophobicContact CD1-CB 3.81Å; Y400-H438 AromaticContact CD1-CG 3.98Å; Y400-H438 HydrophobicContact CE1-CB 3.94Å; Y400-H438 AromaticContact CE1-CD2 3.6Å; Y400-H438 AromaticContact CE1-CG 3.71Å; G434-H438 WeakPolarHBondContact O-CB 3.3Å; G434-H438 PolarHBondContact O-N 3.37Å; L435-H438 PolarHBondContact O-N 3.24Å; L435-H438 VanDerWaalsContact O-N 3.11Å; L436-H438 VanDerWaalsContact C-N 3.31Å; L436-H438 PolarHBondContact O-N 3.43Å; H438-E440 PolarHBondContact O-N 2.96Å
439A62.6Low73.3Confident37 Ų3761.1 Ų61.131%0.30631%0.306SS..Hα-helixtrans-69-20.5177.600000111.7W319 L435 L436W319-A439 HydrophobicContact CH2-CB 3.89Å; W319-A439 HydrophobicContact CZ2-CB 3.95Å; L435-A439 WeakPolarHBondContact O-CB 3.34Å; L435-A439 PolarHBondContact O-N 2.61Å; L436-A439 PolarHBondContact O-N 2.89Å
440E50.1Low73.4Confident86 Ų8657.1 Ų57.140%0.40229%0.285SS..SBendtrans-73.9133.3169.1-72.4-168.1140.100112.1N310 L436 H438 M442N310-E440 PolarHBondContact ND2-OE1 2.95Å; L436-E440 WeakPolarHBondContact O-CG 3.5Å; L436-E440 PolarHBondContact O-N 3.31Å; L436-E440 VanDerWaalsContact O-N 3.14Å; H438-E440 PolarHBondContact O-N 2.96Å; E440-M442 PolarHBondContact O-N 3.13Å
441P42.8Very low73.8Confident69 Ų6952.5 Ų52.545%0.44827%0.265SS..  trans-66.7106.5174.4-1.212.2000110.3S87 E443S87-P441 VanDerWaalsContact CB-CG 3.45Å; S87-P441 WeakPolarHBondContact OG-CB 3.34Å; P441-E443 PolarHBondContact O-N 3.49Å
442M47Very low73.8Confident134 Ų13452.6 Ų52.666%0.6627%0.266SS*.PPolyproline II helixtrans-59120.6177.9-71-170.886.300111.6E440 K444E440-M442 PolarHBondContact O-N 3.13Å; M442-K444 PolarHBondContact O-N 3.31Å
443E57.5Low73.9Confident58 Ų5851.2 Ų51.227%0.27126%0.256SS..PPolyproline II helixtrans-61.9120.1170.9-170.6172.8-159.500109.6P441 Y540 K541 S542P441-E443 PolarHBondContact O-N 3.49Å; E443-Y540 HydrophobicContact CB-CD1 4.24Å; E443-Y540 HydrophobicContact CG-CD1 4.26Å; E443-Y540 VanDerWaalsContact O-CD1 3.32Å; E443-Y540 WeakPolarHBondContact O-CD1 3.32Å; E443-Y540 WeakPolarHBondContact O-CE1 3.49Å; E443-K541 VanDerWaalsContact OE1-CB 3.29Å; E443-K541 WeakPolarHBondContact OE1-CB 3.46Å; E443-K541 PolarHBondContact OE1-N 3.49Å; E443-S542 WeakPolarHBondContact OE1-CB 3.3Å; E443-S542 PolarHBondContact OE1-N 3.23Å; E443-S542 PolarHBondContact OE1-OG 3.5Å; E443-S542 WeakPolarHBondContact OE2-CB 3.49Å; E443-S542 PolarHBondContact OE2-OG 3.03Å
444K64.8Low74.6Confident135 Ų13548 Ų4859%0.58724%0.239SC*.PPolyproline II helixtrans-74.9133.4178.3-68.3-168.1174.3-161.90110.4M442 D493M442-K444 PolarHBondContact O-N 3.31Å; K444-D493 IonicContact NZ-OD2 3.73Å; K444-D493 PolarHBondContact NZ-OD2 3.24Å
445P72Confident75.2Confident15 Ų1547.7 Ų47.710%0.09724%0.236CC..EExtended strand (participates in β ladder)trans-66.3146.5173.129.7-33.7000109.9I486 K489 Y490 Y540P445-I486 HydrophobicContact CB-CG2 3.54Å; P445-I486 HydrophobicContact CG-CG2 4.34Å; P445-K489 HydrophobicContact CG-CB 4.48Å; P445-K489 HydrophobicContact CG-CD 4.38Å; P445-K489 HydrophobicContact CG-CG 4.22Å; P445-Y490 WeakPolarHBondContact O-CD2 3.28Å; P445-Y540 HydrophobicContact CB-CD1 4.36Å; P445-Y540 HydrophobicContact CB-CE1 4.24Å
446L80.9Confident75.4Confident41 Ų4149.7 Ų49.722%0.21525%0.246CC..EExtended strand (participates in β ladder)trans-145.7149.8-176.840.990.4000111.6Y448 N539 K541L446-Y448 HydrophobicContact CD1-CD2 3.87Å; L446-Y448 HydrophobicContact CD1-CE2 3.15Å; L446-N539 PolarHBondContact N-O 3.45Å; L446-N539 PolarHBondContact O-N 2.83Å; L446-K541 HydrophobicContact CD1-CB 3.91Å; L446-K541 HydrophobicContact CD1-CG 4.3Å; L446-K541 HydrophobicContact CD2-CB 4.04Å; L446-K541 HydrophobicContact CD2-CD 4.27Å; L446-K541 HydrophobicContact CG-CB 4.24Å
447M87.1Confident76.1Confident3 Ų350.6 Ų50.62%0.01526%0.259CS..  trans-105.1125.7178.5-176176.270.400109.2V449 T474 V477 L478 Y490 K495 L536 P538M447-V449 HydrophobicContact CE-CG2 3.55Å; M447-V449 HydrophobicContact CG-CG2 4.15Å; M447-V449 HydrophobicContact SD-CG2 4.33Å; M447-T474 HydrophobicContact CE-CG2 3.18Å; M447-T474 HydrophobicContact SD-CG2 3.92Å; M447-V477 HydrophobicContact SD-CG1 3.8Å; M447-L478 HydrophobicContact SD-CD2 4.24Å; M447-L478 HydrophobicContact SD-CG 4.25Å; M447-Y490 HydrophobicContact CB-CE1 3.81Å; M447-Y490 HydrophobicContact CB-CE2 3.89Å; M447-Y490 WeakPolarHBondContact CB-OH 3.47Å; M447-Y490 HydrophobicContact CE-CE1 4.33Å; M447-Y490 HydrophobicContact SD-CE1 4.2Å; M447-K495 HydrophobicContact CE-CD 4.13Å; M447-L536 VanDerWaalsContact CG-O 3.28Å; M447-L536 WeakPolarHBondContact CG-O 3.3Å; M447-P538 HydrophobicContact CB-CG 4.28Å
448Y87.9Confident77.3Confident32 Ų3251.6 Ų51.613%0.12527%0.267CS..EExtended strand (participates in β ladder)trans-90.7124.2169.2-74.6-81000109.5L446 L536 V544 F548L446-Y448 HydrophobicContact CD1-CD2 3.87Å; L446-Y448 HydrophobicContact CD1-CE2 3.15Å; Y448-L536 PolarHBondContact O-N 2.73Å; Y448-V544 HydrophobicContact CD2-CG2 3.82Å; Y448-V544 HydrophobicContact CE2-CG2 3.78Å; Y448-F548 HydrophobicContact CD1-CD2 4.05Å; Y448-F548 HydrophobicContact CD1-CE2 4.4Å; Y448-F548 HydrophobicContact CD1-CG 4.38Å; Y448-F548 AromaticContact CD2-CD2 3.84Å; Y448-F548 HydrophobicContact CD2-CD2 3.84Å; Y448-F548 AromaticContact CD2-CE2 3.59Å; Y448-F548 HydrophobicContact CD2-CE2 3.59Å; Y448-F548 HydrophobicContact CD2-CZ 4.43Å; Y448-F548 HydrophobicContact CE1-CD2 4.25Å; Y448-F548 HydrophobicContact CE2-CD2 4.02Å; Y448-F548 HydrophobicContact CE2-CE2 4.12Å; Y448-F548 AromaticContact CG-CD2 3.84Å; Y448-F548 HydrophobicContact CG-CD2 3.84Å; Y448-F548 AromaticContact CG-CE2 3.73Å; Y448-F548 HydrophobicContact CG-CE2 3.73Å; Y448-F548 HydrophobicContact CG-CG 4.46Å; Y448-F548 HydrophobicContact CG-CZ 4.28Å
449V90.5Very high78.3Confident7 Ų750.6 Ų50.64%0.04226%0.261CS..EExtended strand (participates in β ladder)trans-113.7128.6170.2-172.60000107.2M447 A470 T474 L497 A498 I534 A535M447-V449 HydrophobicContact CE-CG2 3.55Å; M447-V449 HydrophobicContact CG-CG2 4.15Å; M447-V449 HydrophobicContact SD-CG2 4.33Å; V449-A470 HydrophobicContact CG1-CB 3.81Å; V449-T474 WeakPolarHBondContact CG2-OG1 3.41Å; V449-L497 HydrophobicContact CB-CD1 3.51Å; V449-L497 HydrophobicContact CG1-CD1 3.52Å; V449-L497 WeakPolarHBondContact O-CD1 3.43Å; V449-A498 PolarHBondContact O-N 3.38Å; V449-I534 CarbonylContact C-O 3.55Å; V449-I534 WeakPolarHBondContact CA-O 3.3Å; V449-A535 HydrophobicContact CG2-CB 4.34Å
450I90.8Very high79.6Confident0 Ų053.7 Ų53.70%028%0.281CS..EExtended strand (participates in β ladder)trans-119.5122.2-174.7-61.889.1000107.5A498 V500 L506 L509 A533 I534 L536 F548 M551I450-A498 WeakPolarHBondContact CA-O 3.25Å; I450-V500 HydrophobicContact CG2-CB 4.24Å; I450-V500 HydrophobicContact CG2-CG1 3.62Å; I450-V500 HydrophobicContact CG2-CG2 3.85Å; I450-L506 HydrophobicContact CG2-CD1 3.89Å; I450-L509 HydrophobicContact CB-CD2 4.36Å; I450-L509 HydrophobicContact CD1-CD2 4.32Å; I450-L509 HydrophobicContact CG1-CD2 4.02Å; I450-L509 HydrophobicContact CG2-CD2 4.09Å; I450-A533 CarbonylContact O-C 3.3Å; I450-A533 WeakPolarHBondContact O-CA 3.34Å; I450-A533 WeakPolarHBondContact O-CB 3.27Å; I450-I534 HydrophobicContact CB-CB 4.35Å; I450-I534 HydrophobicContact CD1-CG2 4.36Å; I450-I534 PolarHBondContact N-O 3.13Å; I450-I534 PolarHBondContact O-N 2.91Å; I450-L536 HydrophobicContact CD1-CD1 3.9Å; I450-F548 HydrophobicContact CD1-CD1 4.19Å; I450-F548 HydrophobicContact CD1-CE1 3.66Å; I450-F548 HydrophobicContact CD1-CZ 4.34Å; I450-F548 HydrophobicContact CG1-CD1 4.35Å; I450-F548 HydrophobicContact CG1-CE1 4.25Å; I450-M551 HydrophobicContact CG1-SD 4.07Å; I450-M551 HydrophobicContact CG2-SD 4.26Å
451V92.2Very high81.6Confident0 Ų052.6 Ų52.60%027%0.273CS..EExtended strand (participates in β ladder)trans-113.7154174-67.30000111.4V466 A470 L497 A498 K499 V500 A533 F554V451-V466 HydrophobicContact CB-CG1 3.95Å; V451-V466 HydrophobicContact CG1-CG1 4.19Å; V451-V466 HydrophobicContact CG2-CG1 4.12Å; V451-A470 HydrophobicContact CG1-CB 3.7Å; V451-L497 HydrophobicContact CG1-CD1 4.26Å; V451-A498 PolarHBondContact N-O 2.92Å; V451-K499 HydrophobicContact CG2-CB 4.26Å; V451-K499 CarbonylContact O-C 3.4Å; V451-K499 WeakPolarHBondContact O-CA 3.46Å; V451-K499 WeakPolarHBondContact O-CB 3.42Å; V451-V500 PolarHBondContact O-N 2.8Å; V451-A533 HydrophobicContact CG1-CB 4.12Å; V451-F554 HydrophobicContact CG2-CD1 4.49Å; V451-F554 HydrophobicContact CG2-CD2 3.59Å; V451-F554 HydrophobicContact CG2-CE2 3.64Å; V451-F554 HydrophobicContact CG2-CG 4Å; V451-F554 HydrophobicContact CG2-CZ 4.12Å
452R91.4Very high84Confident3 Ų353.7 Ų53.71%0.01128%0.28CS..EExtended strand (participates in β ladder)trans-77.7127172.2-80.5172.660.4168.87.2111.7D454 L455 V500 E503 L506 P531 T532R452-D454 WeakPolarHBondContact CB-OD1 3.47Å; R452-D454 IonicContact CZ-OD1 2.85Å; R452-D454 IonicContact CZ-OD2 2.88Å; R452-D454 IonicContact NE-OD1 2.65Å; R452-D454 PolarHBondContact NE-OD1 2.76Å; R452-D454 IonicContact NE-OD2 2.9Å; R452-D454 IonicContact NH2-OD1 2.86Å; R452-D454 PolarHBondContact NH2-OD1 2.75Å; R452-D454 IonicContact NH2-OD2 3.72Å; R452-D454 PolarHBondContact NH2-OD2 2.69Å; R452-L455 HydrophobicContact CB-CD1 3.94Å; R452-L455 HydrophobicContact CB-CG 3.83Å; R452-V500 HydrophobicContact CG-CG2 4.26Å; R452-E503 VanDerWaalsContact CZ-CB 3.46Å; R452-E503 IonicContact CZ-OE2 2.6Å; R452-E503 IonicContact NH1-OE2 3.98Å; R452-E503 PolarHBondContact NH1-OE2 3.43Å; R452-E503 IonicContact NH2-OE2 2.79Å; R452-E503 PolarHBondContact NH2-OE2 3.01Å; R452-L506 HydrophobicContact CG-CB 4.09Å; R452-L506 HydrophobicContact CG-CD1 4.41Å; R452-L506 HydrophobicContact CG-CD2 3.93Å; R452-L506 HydrophobicContact CG-CG 4.36Å; R452-P531 WeakPolarHBondContact CD-O 3.43Å; R452-P531 PolarHBondContact NH1-O 2.97Å; R452-T532 PolarHBondContact N-O 2.95Å
453S88.1Confident85.9Confident24 Ų2451.7 Ų51.717%0.16827%0.27CS..SBendtrans-79.8-26.6179.677.80000113.6L455 I456 S457 V500 D501S453-L455 PolarHBondContact O-N 3.49Å; S453-I456 PolarHBondContact O-N 3.5Å; S453-I456 VanDerWaalsContact O-N 3.15Å; S453-S457 PolarHBondContact O-N 3.44Å; S453-V500 WeakPolarHBondContact CB-O 3.46Å; S453-V500 PolarHBondContact N-O 3.46Å; S453-V500 PolarHBondContact OG-O 2.88Å; S453-D501 PolarHBondContact OG-O 2.92Å
454D91.2Very high87.4Confident14 Ų1451.5 Ų51.58%0.07528%0.284CS..Hα-helixtrans-64.2-22.6176.670.9-26.5000113.8R452 I456 S457 K458 F459 D501R452-D454 WeakPolarHBondContact CB-OD1 3.47Å; R452-D454 IonicContact CZ-OD1 2.85Å; R452-D454 IonicContact CZ-OD2 2.88Å; R452-D454 IonicContact NE-OD1 2.65Å; R452-D454 PolarHBondContact NE-OD1 2.76Å; R452-D454 IonicContact NE-OD2 2.9Å; R452-D454 IonicContact NH2-OD1 2.86Å; R452-D454 PolarHBondContact NH2-OD1 2.75Å; R452-D454 IonicContact NH2-OD2 3.72Å; R452-D454 PolarHBondContact NH2-OD2 2.69Å; D454-I456 PolarHBondContact O-N 3.01Å; D454-S457 WeakPolarHBondContact CA-OG 3.3Å; D454-S457 PolarHBondContact O-N 3.43Å; D454-K458 HydrophobicContact CB-CB 4.22Å; D454-K458 WeakPolarHBondContact O-CA 3.45Å; D454-K458 VanDerWaalsContact O-CB 3.31Å; D454-K458 WeakPolarHBondContact O-CB 3.34Å; D454-K458 PolarHBondContact O-N 2.95Å; D454-F459 WeakPolarHBondContact O-CD2 3.31Å; D454-F459 PolarHBondContact O-N 3.44Å; D454-F459 WeakPolarHBondContact OD2-CE2 3.42Å; D454-D501 WeakPolarHBondContact CB-O 3.37Å; D454-D501 PolarHBondContact N-O 3.01Å; D454-D501 VanDerWaalsContact N-O 3.1Å
455L91.7Very high88.7Confident0 Ų046.6 Ų46.60%027%0.268CS..Hα-helixtrans-54.3-40.1172.1-64.2177.9000111.3R452 S453 F459 S460 W461 V466 L530 T532R452-L455 HydrophobicContact CB-CD1 3.94Å; R452-L455 HydrophobicContact CB-CG 3.83Å; S453-L455 PolarHBondContact O-N 3.49Å; L455-F459 HydrophobicContact CD2-CD2 4.37Å; L455-F459 CarbonylContact O-C 3.42Å; L455-F459 WeakPolarHBondContact O-CB 3.49Å; L455-S460 PolarHBondContact O-N 3.29Å; L455-W461 HydrophobicContact CB-CB 4.35Å; L455-W461 HydrophobicContact CB-CD2 4.5Å; L455-W461 HydrophobicContact CB-CG 4.34Å; L455-W461 VanDerWaalsContact O-CB 3.31Å; L455-W461 WeakPolarHBondContact O-CB 3.37Å; L455-W461 PolarHBondContact O-N 3.33Å; L455-V466 HydrophobicContact CB-CG2 3.89Å; L455-V466 HydrophobicContact CD1-CG2 4.33Å; L455-L530 HydrophobicContact CD2-CD2 4.11Å; L455-T532 HydrophobicContact CD1-CG2 4.07Å
456I89.9Confident89.5Confident57 Ų5745.9 Ų45.929%0.29226%0.264SS..Hα-helixtrans-80.5-55.1176.7-58.9175000110S453 D454 S460 M463 V466 F554S453-I456 PolarHBondContact O-N 3.5Å; S453-I456 VanDerWaalsContact O-N 3.15Å; D454-I456 PolarHBondContact O-N 3.01Å; I456-S460 WeakPolarHBondContact O-CA 3.26Å; I456-S460 PolarHBondContact O-N 3.23Å; I456-M463 HydrophobicContact CD1-CE 3.67Å; I456-M463 HydrophobicContact CD1-SD 3.68Å; I456-V466 HydrophobicContact CD1-CG2 4.31Å; I456-V466 HydrophobicContact CG1-CG2 3.79Å; I456-F554 HydrophobicContact CD1-CE2 4.28Å; I456-F554 HydrophobicContact CD1-CZ 3.83Å
457S86.5Confident89.9Confident97 Ų9746.8 Ų46.868%0.67827%0.268SS*.Hα-helixtrans-74.2-33.1-166.962.20000113.9S453 D454S453-S457 PolarHBondContact O-N 3.44Å; D454-S457 WeakPolarHBondContact CA-OG 3.3Å; D454-S457 PolarHBondContact O-N 3.43Å
458K89.3Confident90.1Very high155 Ų15548.5 Ų48.567%0.67428%0.283SS*.THydrogen-bonded Turntrans-106.9-40.5-176-173178.9178.9-178.40112.5D454D454-K458 HydrophobicContact CB-CB 4.22Å; D454-K458 WeakPolarHBondContact O-CA 3.45Å; D454-K458 VanDerWaalsContact O-CB 3.31Å; D454-K458 WeakPolarHBondContact O-CB 3.34Å; D454-K458 PolarHBondContact O-N 2.95Å
459F90.6Very high90.4Very high96 Ų9647.3 Ų47.342%0.42128%0.278SS..THydrogen-bonded Turntrans-97.6-0.7-176.8-61.4-81.2000113.9D454 L455 W461D454-F459 WeakPolarHBondContact O-CD2 3.31Å; D454-F459 PolarHBondContact O-N 3.44Å; D454-F459 WeakPolarHBondContact OD2-CE2 3.42Å; L455-F459 HydrophobicContact CD2-CD2 4.37Å; L455-F459 CarbonylContact O-C 3.42Å; L455-F459 WeakPolarHBondContact O-CB 3.49Å; F459-W461 PolarHBondContact O-N 3.35Å
460S89.8Confident90.4Very high102 Ų10247.2 Ų47.271%0.71328%0.279SS*.  trans57.329.6176.4-54.30000114.2L455 I456L455-S460 PolarHBondContact O-N 3.29Å; I456-S460 WeakPolarHBondContact O-CA 3.26Å; I456-S460 PolarHBondContact O-N 3.23Å
461W92.4Very high90.4Very high63 Ų6350.3 Ų50.324%0.23930%0.3CS..  trans-66.7137.2173.1-77.833.7000110L455 F459 A465 V466 Q469 E525 L530 T532L455-W461 HydrophobicContact CB-CB 4.35Å; L455-W461 HydrophobicContact CB-CD2 4.5Å; L455-W461 HydrophobicContact CB-CG 4.34Å; L455-W461 VanDerWaalsContact O-CB 3.31Å; L455-W461 WeakPolarHBondContact O-CB 3.37Å; L455-W461 PolarHBondContact O-N 3.33Å; F459-W461 PolarHBondContact O-N 3.35Å; W461-A465 HydrophobicContact CE3-CB 3.81Å; W461-A465 HydrophobicContact CZ3-CB 4.37Å; W461-V466 HydrophobicContact CB-CG2 4.03Å; W461-V466 HydrophobicContact CE3-CG2 4.32Å; W461-Q469 HydrophobicContact CZ3-CG 3.84Å; W461-E525 HydrophobicContact CH2-CG 4.31Å; W461-L530 HydrophobicContact CZ2-CD2 4.34Å; W461-T532 HydrophobicContact CH2-CG2 4.26Å; W461-T532 HydrophobicContact CZ3-CG2 4.48Å
462P92.2Very high90.4Very high92 Ų9254.3 Ų54.360%0.59732%0.318SS*.  trans-65.8147.3171.328.3-32.8000109.8G464 A465 V466P462-G464 PolarHBondContact O-N 3.07Å; P462-G464 VanDerWaalsContact O-N 3.11Å; P462-A465 HydrophobicContact CG-CB 3.85Å; P462-A465 WeakPolarHBondContact O-CB 3.35Å; P462-A465 PolarHBondContact O-N 3.48Å; P462-V466 PolarHBondContact O-N 3.25Å
463M87.7Confident90.5Very high91 Ų9154.2 Ų54.245%0.44832%0.318SS..Hα-helixtrans-49.7-41.9178.9-17563.181.600112.3I456 A465 V466 I467 F554I456-M463 HydrophobicContact CD1-CE 3.67Å; I456-M463 HydrophobicContact CD1-SD 3.68Å; M463-A465 VanDerWaalsContact C-N 3.29Å; M463-A465 PolarHBondContact O-N 3.5Å; M463-V466 PolarHBondContact O-N 3.44Å; M463-V466 VanDerWaalsContact O-N 3.17Å; M463-I467 HydrophobicContact CG-CG1 4.35Å; M463-I467 WeakPolarHBondContact O-CG1 3.25Å; M463-I467 PolarHBondContact O-N 3.5Å; M463-I467 HydrophobicContact SD-CG1 4.47Å; M463-F554 HydrophobicContact CE-CE1 4.06Å; M463-F554 HydrophobicContact CE-CZ 4.02Å; M463-F554 HydrophobicContact SD-CE1 3.36Å; M463-F554 WeakPolarHBondContact SD-CE1 3.42Å; M463-F554 HydrophobicContact SD-CZ 3.44Å; M463-F554 WeakPolarHBondContact SD-CZ 3.36Å
464G89.4Confident90.6Very high55 Ų5554 Ų5457%0.56732%0.315SS*.Hα-helixtrans-58.7-36.3177.900000113.9P462 A468P462-G464 PolarHBondContact O-N 3.07Å; P462-G464 VanDerWaalsContact O-N 3.11Å; G464-A468 WeakPolarHBondContact O-CB 3.43Å; G464-A468 PolarHBondContact O-N 3.36Å
465A91.1Very high90.6Very high31 Ų3156.8 Ų56.826%0.25634%0.336SS..Hα-helixtrans-69.6-40.5177.100000111.5W461 P462 M463 A468 Q469W461-A465 HydrophobicContact CE3-CB 3.81Å; W461-A465 HydrophobicContact CZ3-CB 4.37Å; P462-A465 HydrophobicContact CG-CB 3.85Å; P462-A465 WeakPolarHBondContact O-CB 3.35Å; P462-A465 PolarHBondContact O-N 3.48Å; M463-A465 VanDerWaalsContact C-N 3.29Å; M463-A465 PolarHBondContact O-N 3.5Å; A465-A468 WeakPolarHBondContact O-CB 3.26Å; A465-A468 PolarHBondContact O-N 3.02Å; A465-Q469 WeakPolarHBondContact O-CG 3.47Å; A465-Q469 PolarHBondContact O-N 2.89Å
466V89.7Confident90.7Very high0 Ų058.2 Ų58.20%035%0.348CS..Hα-helixtrans-64.9-42.1176.4178.40000111.4V451 L455 I456 W461 P462 M463 A468 Q469 A470 F554V451-V466 HydrophobicContact CB-CG1 3.95Å; V451-V466 HydrophobicContact CG1-CG1 4.19Å; V451-V466 HydrophobicContact CG2-CG1 4.12Å; L455-V466 HydrophobicContact CB-CG2 3.89Å; L455-V466 HydrophobicContact CD1-CG2 4.33Å; I456-V466 HydrophobicContact CD1-CG2 4.31Å; I456-V466 HydrophobicContact CG1-CG2 3.79Å; W461-V466 HydrophobicContact CB-CG2 4.03Å; W461-V466 HydrophobicContact CE3-CG2 4.32Å; P462-V466 PolarHBondContact O-N 3.25Å; M463-V466 PolarHBondContact O-N 3.44Å; M463-V466 VanDerWaalsContact O-N 3.17Å; V466-A468 VanDerWaalsContact C-N 3.34Å; V466-A468 PolarHBondContact O-N 3.26Å; V466-Q469 WeakPolarHBondContact O-CB 2.97Å; V466-Q469 PolarHBondContact O-N 2.76Å; V466-A470 PolarHBondContact O-N 3.24Å; V466-F554 HydrophobicContact CG1-CZ 4.13Å
467I88.9Confident90.8Very high60 Ų6055.5 Ų55.531%0.30833%0.334SS..Hα-helixtrans-64.8-37.9175.5-63.4-58.4000111.4M463 Q469 A470 C471 L497 F554M463-I467 HydrophobicContact CG-CG1 4.35Å; M463-I467 WeakPolarHBondContact O-CG1 3.25Å; M463-I467 PolarHBondContact O-N 3.5Å; M463-I467 HydrophobicContact SD-CG1 4.47Å; I467-Q469 VanDerWaalsContact C-N 3.27Å; I467-Q469 PolarHBondContact O-N 2.87Å; I467-A470 WeakPolarHBondContact O-CB 3.24Å; I467-A470 PolarHBondContact O-N 2.96Å; I467-A470 VanDerWaalsContact O-N 3.11Å; I467-C471 PolarHBondContact O-N 3.29Å; I467-C471 PolarHBondContact O-SG 2.9Å; I467-C471 VanDerWaalsContact O-SG 3.32Å; I467-L497 HydrophobicContact CD1-CD2 3.65Å; I467-F554 HydrophobicContact CD1-CD1 4.3Å; I467-F554 HydrophobicContact CD1-CE1 3.85Å
468A91.9Very high91.1Very high39 Ų3951.8 Ų51.832%0.32231%0.306SS..Hα-helixtrans-58.2-40.3175.500000112.1G464 A465 V466 C471 H472G464-A468 WeakPolarHBondContact O-CB 3.43Å; G464-A468 PolarHBondContact O-N 3.36Å; A465-A468 WeakPolarHBondContact O-CB 3.26Å; A465-A468 PolarHBondContact O-N 3.02Å; V466-A468 VanDerWaalsContact C-N 3.34Å; V466-A468 PolarHBondContact O-N 3.26Å; A468-C471 WeakPolarHBondContact O-CB 3.33Å; A468-C471 PolarHBondContact O-N 3.26Å; A468-H472 PolarHBondContact O-N 2.71Å
469Q93.2Very high91.2Very high7 Ų753 Ų533%0.03331%0.307CS..Hα-helixtrans-63.8-42.1174.9-61.5-57.7-45.500112.3W461 A465 V466 I467 C471 H472 A473 E525 T532W461-Q469 HydrophobicContact CZ3-CG 3.84Å; A465-Q469 WeakPolarHBondContact O-CG 3.47Å; A465-Q469 PolarHBondContact O-N 2.89Å; V466-Q469 WeakPolarHBondContact O-CB 2.97Å; V466-Q469 PolarHBondContact O-N 2.76Å; I467-Q469 VanDerWaalsContact C-N 3.27Å; I467-Q469 PolarHBondContact O-N 2.87Å; Q469-C471 VanDerWaalsContact C-N 3.3Å; Q469-C471 PolarHBondContact O-N 3.01Å; Q469-H472 PolarHBondContact O-N 3.45Å; Q469-A473 PolarHBondContact O-N 2.88Å; Q469-E525 VanDerWaalsContact CD-OE2 3.26Å; Q469-E525 PolarHBondContact NE2-OE1 3.27Å; Q469-E525 PolarHBondContact NE2-OE2 2.89Å; Q469-E525 PolarHBondContact OE1-OE2 3.04Å; Q469-T532 HydrophobicContact CG-CG2 4.21Å; Q469-T532 PolarHBondContact OE1-OG1 3.07Å
470A90.7Very high91.4Very high6 Ų654.7 Ų54.75%0.0531%0.314CS..Hα-helixtrans-59.3-41.8173.400000111.8V449 V451 V466 I467 T474 L497V449-A470 HydrophobicContact CG1-CB 3.81Å; V451-A470 HydrophobicContact CG1-CB 3.7Å; V466-A470 PolarHBondContact O-N 3.24Å; I467-A470 WeakPolarHBondContact O-CB 3.24Å; I467-A470 PolarHBondContact O-N 2.96Å; I467-A470 VanDerWaalsContact O-N 3.11Å; A470-T474 VanDerWaalsContact O-CB 3.28Å; A470-T474 WeakPolarHBondContact O-CB 3.24Å; A470-T474 PolarHBondContact O-N 2.92Å; A470-T474 PolarHBondContact O-OG1 2.76Å; A470-L497 HydrophobicContact CB-CD1 4.02Å
471C90.3Very high91.4Very high65 Ų6551.3 Ų51.344%0.43929%0.286SS..Hα-helixtrans-64.6-41176.3-67.70000112.3I467 A468 Q469 T474 S475I467-C471 PolarHBondContact O-N 3.29Å; I467-C471 PolarHBondContact O-SG 2.9Å; I467-C471 VanDerWaalsContact O-SG 3.32Å; A468-C471 WeakPolarHBondContact O-CB 3.33Å; A468-C471 PolarHBondContact O-N 3.26Å; Q469-C471 VanDerWaalsContact C-N 3.3Å; Q469-C471 PolarHBondContact O-N 3.01Å; C471-T474 PolarHBondContact O-N 3.28Å; C471-S475 WeakPolarHBondContact O-CB 3.27Å; C471-S475 PolarHBondContact O-N 2.95Å; C471-S475 PolarHBondContact O-OG 3.39Å
472H92.5Very high91.4Very high84 Ų8453.5 Ų53.539%0.38930%0.295SS..Hα-helixtrans-64.3-47.7176-69.2172.7000111.8A468 Q469 T474 S475 A476 W523A468-H472 PolarHBondContact O-N 2.71Å; Q469-H472 PolarHBondContact O-N 3.45Å; H472-T474 VanDerWaalsContact C-N 3.3Å; H472-T474 PolarHBondContact O-N 2.77Å; H472-S475 PolarHBondContact O-N 3Å; H472-A476 WeakPolarHBondContact O-CB 3.25Å; H472-A476 PolarHBondContact O-N 3.21Å; H472-W523 HydrophobicContact CB-CD2 3.88Å; H472-W523 HydrophobicContact CB-CE3 4.39Å; H472-W523 HydrophobicContact CB-CG 4.43Å; H472-W523 HydrophobicContact CB-CH2 4.05Å; H472-W523 HydrophobicContact CB-CZ2 3.5Å; H472-W523 HydrophobicContact CB-CZ3 4.46Å; H472-W523 AromaticContact CG-CZ2 3.91Å; H472-W523 AromaticContact ND1-CZ2 3.77Å; H472-W523 AromaticContact ND1-NE1 3.93Å
473A92.7Very high91Very high0 Ų054.9 Ų54.90%030%0.297CS..Hα-helixtrans-57.1-45.9175.800000111.6Q469 A476 V477 W523 A533 A535Q469-A473 PolarHBondContact O-N 2.88Å; A473-A476 PolarHBondContact O-N 3.45Å; A473-V477 PolarHBondContact O-N 3.39Å; A473-W523 HydrophobicContact CB-CB 3.61Å; A473-W523 HydrophobicContact CB-CG 4.15Å; A473-A533 HydrophobicContact CB-CB 4Å; A473-A535 VanDerWaalsContact C-CB 3.45Å; A473-A535 HydrophobicContact CB-CB 3.75Å; A473-A535 WeakPolarHBondContact O-CB 3.45Å
474T91.9Very high91.1Very high20 Ų2052.7 Ų52.712%0.12329%0.287CS..Hα-helixtrans-59.1-48.4176.1-64.20000112M447 V449 A470 C471 H472 A476 V477 L478M447-T474 HydrophobicContact CE-CG2 3.18Å; M447-T474 HydrophobicContact SD-CG2 3.92Å; V449-T474 WeakPolarHBondContact CG2-OG1 3.41Å; A470-T474 VanDerWaalsContact O-CB 3.28Å; A470-T474 WeakPolarHBondContact O-CB 3.24Å; A470-T474 PolarHBondContact O-N 2.92Å; A470-T474 PolarHBondContact O-OG1 2.76Å; C471-T474 PolarHBondContact O-N 3.28Å; H472-T474 VanDerWaalsContact C-N 3.3Å; H472-T474 PolarHBondContact O-N 2.77Å; T474-A476 VanDerWaalsContact C-N 3.32Å; T474-A476 PolarHBondContact O-N 3.38Å; T474-V477 VanDerWaalsContact O-CG1 3.32Å; T474-V477 WeakPolarHBondContact O-CG1 3.45Å; T474-V477 PolarHBondContact O-N 3.46Å; T474-L478 HydrophobicContact CG2-CD1 3.71Å; T474-L478 HydrophobicContact CG2-CG 4.42Å; T474-L478 WeakPolarHBondContact O-CB 3.28Å; T474-L478 VanDerWaalsContact O-CG 3.27Å; T474-L478 WeakPolarHBondContact O-CG 3.1Å; T474-L478 PolarHBondContact O-N 2.94Å
475S91.3Very high90.5Very high73 Ų7357.8 Ų57.851%0.5130%0.296SS..Hα-helixtrans-64.4-40.8-178.6-57.40000111C471 H472 W479C471-S475 WeakPolarHBondContact O-CB 3.27Å; C471-S475 PolarHBondContact O-N 2.95Å; C471-S475 PolarHBondContact O-OG 3.39Å; H472-S475 PolarHBondContact O-N 3Å; S475-W479 VanDerWaalsContact O-CB 3.27Å; S475-W479 WeakPolarHBondContact O-CB 3.49Å; S475-W479 PolarHBondContact O-N 3.25Å
476A92.3Very high89.9Confident29 Ų2958 Ų5824%0.2429%0.293CS..Hα-helixtrans-63.6-45177.600000112.2H472 A473 T474 K480 V521 W523H472-A476 WeakPolarHBondContact O-CB 3.25Å; H472-A476 PolarHBondContact O-N 3.21Å; A473-A476 PolarHBondContact O-N 3.45Å; T474-A476 VanDerWaalsContact C-N 3.32Å; T474-A476 PolarHBondContact O-N 3.38Å; A476-K480 WeakPolarHBondContact O-CB 3.38Å; A476-K480 PolarHBondContact O-N 3.14Å; A476-V521 HydrophobicContact CB-CG1 4.09Å; A476-W523 HydrophobicContact CB-CE3 4.1Å; A476-W523 HydrophobicContact CB-CZ3 3.92Å
477V93.6Very high89.7Confident0 Ų058.1 Ų58.10%029%0.294CS..Hα-helixtrans-68.7-42.3-179.277.30000111.9M447 A473 T474 K480 F481 V521 A535 K537M447-V477 HydrophobicContact SD-CG1 3.8Å; A473-V477 PolarHBondContact O-N 3.39Å; T474-V477 VanDerWaalsContact O-CG1 3.32Å; T474-V477 WeakPolarHBondContact O-CG1 3.45Å; T474-V477 PolarHBondContact O-N 3.46Å; V477-K480 PolarHBondContact O-N 3.03Å; V477-F481 HydrophobicContact CG2-CD2 3.62Å; V477-F481 HydrophobicContact CG2-CE2 3.75Å; V477-F481 VanDerWaalsContact O-CD2 3.27Å; V477-F481 WeakPolarHBondContact O-CD2 3.39Å; V477-F481 PolarHBondContact O-N 3.13Å; V477-V521 HydrophobicContact CB-CB 4.16Å; V477-V521 HydrophobicContact CB-CG2 3.79Å; V477-V521 HydrophobicContact CG2-CB 4.48Å; V477-V521 HydrophobicContact CG2-CG2 3.95Å; V477-A535 HydrophobicContact CB-CB 4.15Å; V477-A535 HydrophobicContact CG1-CB 3.67Å; V477-K537 HydrophobicContact CG2-CB 4.44Å
478L92.1Very high89.3Confident20 Ų2060.2 Ų60.211%0.10530%0.302CS..Hα-helixtrans-65.6-41.5177.9-67.7172.5000111.6M447 T474 R482 V487 Y490 M491 P538M447-L478 HydrophobicContact SD-CD2 4.24Å; M447-L478 HydrophobicContact SD-CG 4.25Å; T474-L478 HydrophobicContact CG2-CD1 3.71Å; T474-L478 HydrophobicContact CG2-CG 4.42Å; T474-L478 WeakPolarHBondContact O-CB 3.28Å; T474-L478 VanDerWaalsContact O-CG 3.27Å; T474-L478 WeakPolarHBondContact O-CG 3.1Å; T474-L478 PolarHBondContact O-N 2.94Å; L478-R482 VanDerWaalsContact O-CA 3.3Å; L478-R482 WeakPolarHBondContact O-CA 3.28Å; L478-R482 WeakPolarHBondContact O-CB 3.19Å; L478-R482 PolarHBondContact O-N 3.5Å; L478-V487 HydrophobicContact CD2-CG1 3.9Å; L478-Y490 HydrophobicContact CD2-CD1 3.99Å; L478-Y490 HydrophobicContact CD2-CE1 4.04Å; L478-M491 HydrophobicContact CD1-SD 3.7Å; L478-M491 HydrophobicContact CD2-SD 3.84Å; L478-M491 HydrophobicContact CG-SD 4.27Å; L478-P538 HydrophobicContact CD2-CG 3.8Å
479W91.8Very high88.4Confident181 Ų18162 Ų6269%0.68630%0.302SS*.Hα-helixtrans-64.7-40.9175.6179.3-103.9000112.5S475 R482S475-W479 VanDerWaalsContact O-CB 3.27Å; S475-W479 WeakPolarHBondContact O-CB 3.49Å; S475-W479 PolarHBondContact O-N 3.25Å; W479-R482 WeakPolarHBondContact O-CD 3.29Å; W479-R482 WeakPolarHBondContact O-CG 3.21Å; W479-R482 PolarHBondContact O-NH1 2.98Å
480K93Very high87.7Confident131 Ų13162 Ų6257%0.5730%0.302SS*.Hα-helixtrans-65.4-39.1-178.3-174.5174.7-179.4-178.70112.1A476 V477 V521A476-K480 WeakPolarHBondContact O-CB 3.38Å; A476-K480 PolarHBondContact O-N 3.14Å; V477-K480 PolarHBondContact O-N 3.03Å; K480-V521 HydrophobicContact CD-CG2 4.21Å
481F91.5Very high87.3Confident30 Ų3067 Ų6713%0.13233%0.326CS..THydrogen-bonded Turntrans-109.422.8-176.7-58.9-70.7000113.5V477 D483 D484 V487 E519 K537V477-F481 HydrophobicContact CG2-CD2 3.62Å; V477-F481 HydrophobicContact CG2-CE2 3.75Å; V477-F481 VanDerWaalsContact O-CD2 3.27Å; V477-F481 WeakPolarHBondContact O-CD2 3.39Å; V477-F481 PolarHBondContact O-N 3.13Å; F481-D483 PolarHBondContact O-N 3.27Å; F481-D483 VanDerWaalsContact O-N 3.08Å; F481-D484 VanDerWaalsContact O-CB 3.26Å; F481-D484 WeakPolarHBondContact O-CB 3.32Å; F481-D484 PolarHBondContact O-N 2.9Å; F481-V487 HydrophobicContact CB-CG2 3.89Å; F481-V487 WeakPolarHBondContact O-CB 3.15Å; F481-V487 WeakPolarHBondContact O-CG2 3.34Å; F481-E519 HydrophobicContact CE1-CB 4.05Å; F481-E519 HydrophobicContact CE1-CG 4.14Å; F481-E519 WeakPolarHBondContact CE1-OE1 3.41Å; F481-E519 HydrophobicContact CE2-CB 4.14Å; F481-E519 HydrophobicContact CZ-CB 3.66Å; F481-E519 HydrophobicContact CZ-CG 4.13Å; F481-K537 HydrophobicContact CB-CD 3.78Å; F481-K537 HydrophobicContact CB-CG 3.85Å; F481-K537 HydrophobicContact CD1-CD 3.91Å; F481-K537 HydrophobicContact CD2-CB 3.86Å; F481-K537 HydrophobicContact CD2-CD 4.14Å; F481-K537 HydrophobicContact CD2-CG 3.87Å; F481-K537 HydrophobicContact CE2-CB 4.17Å; F481-K537 HydrophobicContact CG-CB 4.31Å; F481-K537 HydrophobicContact CG-CD 3.69Å; F481-K537 HydrophobicContact CG-CG 3.84Å
482R90.9Very high86.4Confident109 Ų10971.5 Ų71.541%0.41134%0.34SS..THydrogen-bonded Turntrans-57.5-25-174.366.9-173.7-179.6-83.5-11.7115.3L478 W479 Q488L478-R482 VanDerWaalsContact O-CA 3.3Å; L478-R482 WeakPolarHBondContact O-CA 3.28Å; L478-R482 WeakPolarHBondContact O-CB 3.19Å; L478-R482 PolarHBondContact O-N 3.5Å; W479-R482 WeakPolarHBondContact O-CD 3.29Å; W479-R482 WeakPolarHBondContact O-CG 3.21Å; W479-R482 PolarHBondContact O-NH1 2.98Å; R482-Q488 PolarHBondContact O-NE2 3.09Å
483D85.6Confident84.5Confident122 Ų12272.2 Ų72.265%0.65235%0.347SS*.THydrogen-bonded Turntrans-90.5-2.6-177.7-57.9-46.4000112.2F481F481-D483 PolarHBondContact O-N 3.27Å; F481-D483 VanDerWaalsContact O-N 3.08Å
484D88.7Confident82.6Confident45 Ų4581.6 Ų81.624%0.24139%0.391CS..SBendtrans-79.5135176.5-177.1-68.2000111.4F481 I486 V487 Q488 K537F481-D484 VanDerWaalsContact O-CB 3.26Å; F481-D484 WeakPolarHBondContact O-CB 3.32Å; F481-D484 PolarHBondContact O-N 2.9Å; D484-I486 PolarHBondContact O-N 2.77Å; D484-I486 WeakPolarHBondContact OD1-CA 3.45Å; D484-I486 WeakPolarHBondContact OD1-CB 3.28Å; D484-I486 PolarHBondContact OD1-N 3.5Å; D484-V487 HydrophobicContact CB-CB 4.15Å; D484-V487 HydrophobicContact CB-CG2 3.82Å; D484-V487 WeakPolarHBondContact O-CB 2.82Å; D484-V487 PolarHBondContact O-N 2.82Å; D484-V487 VanDerWaalsContact O-N 3.14Å; D484-V487 PolarHBondContact OD1-N 2.97Å; D484-Q488 WeakPolarHBondContact O-CG 3.5Å; D484-Q488 PolarHBondContact O-N 3.17Å; D484-K537 HydrophobicContact CB-CD 4.44Å; D484-K537 IonicContact OD2-NZ 3.45Å; D484-K537 PolarHBondContact OD2-NZ 2.74Å
485Q76.1Confident80.9Confident162 Ų16285.8 Ų85.876%0.75741%0.408SS*.Hα-helixtrans-64.5-35.1-175.7-68.7-178.2-7.900113.5V487 Q488 K489Q485-V487 VanDerWaalsContact C-N 3.3Å; Q485-Q488 PolarHBondContact O-N 3.02Å; Q485-K489 WeakPolarHBondContact O-CB 3.36Å; Q485-K489 PolarHBondContact O-N 3.04Å
486I79.4Confident79.3Confident35 Ų3585 Ų8518%0.17940%0.402CS..Hα-helixtrans-68.4-37.2176.7-59.8179.3000109.5P445 D484 K489 Y490 P538 Y540P445-I486 HydrophobicContact CB-CG2 3.54Å; P445-I486 HydrophobicContact CG-CG2 4.34Å; D484-I486 PolarHBondContact O-N 2.77Å; D484-I486 WeakPolarHBondContact OD1-CA 3.45Å; D484-I486 WeakPolarHBondContact OD1-CB 3.28Å; D484-I486 PolarHBondContact OD1-N 3.5Å; I486-K489 PolarHBondContact O-N 3.45Å; I486-Y490 VanDerWaalsContact O-CB 3.25Å; I486-Y490 WeakPolarHBondContact O-CB 3.12Å; I486-Y490 PolarHBondContact O-N 2.74Å; I486-P538 HydrophobicContact CG2-CB 4.43Å; I486-P538 WeakPolarHBondContact CG2-O 3.46Å; I486-Y540 HydrophobicContact CD1-CD2 4.32Å; I486-Y540 HydrophobicContact CD1-CE2 3.84Å; I486-Y540 HydrophobicContact CG1-CE2 4.35Å
487V84.7Confident78.3Confident3 Ų385.6 Ų85.62%0.01840%0.401CS..Hα-helixtrans-66.4-44.1175.9179.70000111.2L478 F481 D484 Q485 K489 Y490 M491 K537 P538L478-V487 HydrophobicContact CD2-CG1 3.9Å; F481-V487 HydrophobicContact CB-CG2 3.89Å; F481-V487 WeakPolarHBondContact O-CB 3.15Å; F481-V487 WeakPolarHBondContact O-CG2 3.34Å; D484-V487 HydrophobicContact CB-CB 4.15Å; D484-V487 HydrophobicContact CB-CG2 3.82Å; D484-V487 WeakPolarHBondContact O-CB 2.82Å; D484-V487 PolarHBondContact O-N 2.82Å; D484-V487 VanDerWaalsContact O-N 3.14Å; D484-V487 PolarHBondContact OD1-N 2.97Å; Q485-V487 VanDerWaalsContact C-N 3.3Å; V487-K489 PolarHBondContact O-N 2.93Å; V487-Y490 PolarHBondContact O-N 2.78Å; V487-M491 VanDerWaalsContact O-CG 3.26Å; V487-M491 WeakPolarHBondContact O-CG 3.41Å; V487-M491 PolarHBondContact O-N 2.88Å; V487-M491 VanDerWaalsContact O-N 3.09Å; V487-K537 HydrophobicContact CG2-CD 3.93Å; V487-K537 HydrophobicContact CG2-CG 3.51Å; V487-P538 HydrophobicContact CB-CG 4.46Å; V487-P538 HydrophobicContact CG1-CG 4.39Å; V487-P538 HydrophobicContact CG2-CB 4.3Å; V487-P538 HydrophobicContact CG2-CG 4.02Å
488Q81.8Confident77.4Confident104 Ų10486 Ų8649%0.48641%0.405SS..Hα-helixtrans-59.3-47.4175.6-70.3175.41.700111.5R482 D484 Q485 Y490 M491R482-Q488 PolarHBondContact O-NE2 3.09Å; D484-Q488 WeakPolarHBondContact O-CG 3.5Å; D484-Q488 PolarHBondContact O-N 3.17Å; Q485-Q488 PolarHBondContact O-N 3.02Å; Q488-Y490 VanDerWaalsContact C-N 3.34Å; Q488-Y490 PolarHBondContact O-N 2.85Å; Q488-M491 PolarHBondContact O-N 2.84Å
489K72.4Confident77Confident76 Ų7688 Ų8833%0.3341%0.412SS..Hα-helixtrans-63.3-36.7176.1-172.8175.4-177.5178.40113.1P445 Q485 I486 V487 M491 E492P445-K489 HydrophobicContact CG-CB 4.48Å; P445-K489 HydrophobicContact CG-CD 4.38Å; P445-K489 HydrophobicContact CG-CG 4.22Å; Q485-K489 WeakPolarHBondContact O-CB 3.36Å; Q485-K489 PolarHBondContact O-N 3.04Å; I486-K489 PolarHBondContact O-N 3.45Å; V487-K489 PolarHBondContact O-N 2.93Å; K489-M491 VanDerWaalsContact C-N 3.31Å; K489-M491 PolarHBondContact O-N 3.34Å; K489-E492 PolarHBondContact O-N 3.28Å
490Y79.2Confident76.8Confident7 Ų779.9 Ų79.93%0.02738%0.382CS..Hα-helixtrans-66.7-31.3176.9170.1-101.4000113.1P445 M447 L478 I486 V487 Q488 E492 D493 K495 P538P445-Y490 WeakPolarHBondContact O-CD2 3.28Å; M447-Y490 HydrophobicContact CB-CE1 3.81Å; M447-Y490 HydrophobicContact CB-CE2 3.89Å; M447-Y490 WeakPolarHBondContact CB-OH 3.47Å; M447-Y490 HydrophobicContact CE-CE1 4.33Å; M447-Y490 HydrophobicContact SD-CE1 4.2Å; L478-Y490 HydrophobicContact CD2-CD1 3.99Å; L478-Y490 HydrophobicContact CD2-CE1 4.04Å; I486-Y490 VanDerWaalsContact O-CB 3.25Å; I486-Y490 WeakPolarHBondContact O-CB 3.12Å; I486-Y490 PolarHBondContact O-N 2.74Å; V487-Y490 PolarHBondContact O-N 2.78Å; Q488-Y490 VanDerWaalsContact C-N 3.34Å; Q488-Y490 PolarHBondContact O-N 2.85Å; Y490-E492 PolarHBondContact O-N 3.5Å; Y490-D493 PolarHBondContact O-N 2.81Å; Y490-K495 HydrophobicContact CE1-CD 4.43Å; Y490-K495 WeakPolarHBondContact OH-CD 3.46Å; Y490-K495 VanDerWaalsContact OH-CE 3.25Å; Y490-K495 WeakPolarHBondContact OH-CE 3.46Å; Y490-K495 WeakPolarHBondContact OH-CG 3.5Å; Y490-P538 VanDerWaalsContact CB-CB 3.48Å; Y490-P538 HydrophobicContact CD1-CB 3.76Å; Y490-P538 HydrophobicContact CD1-CG 3.21Å; Y490-P538 HydrophobicContact CD2-CB 4.06Å; Y490-P538 HydrophobicContact CD2-CG 4.35Å; Y490-P538 HydrophobicContact CE1-CG 3.78Å; Y490-P538 HydrophobicContact CG-CB 3.47Å; Y490-P538 VanDerWaalsContact CG-CB 3.47Å; Y490-P538 HydrophobicContact CG-CG 3.53Å
491M80.6Confident76.5Confident111 Ų11178.7 Ų78.755%0.54738%0.382SS..THydrogen-bonded Turntrans-68.6-1.5-178.4-71.6-67.1-68.700113.9L478 V487 Q488 K489L478-M491 HydrophobicContact CD1-SD 3.7Å; L478-M491 HydrophobicContact CD2-SD 3.84Å; L478-M491 HydrophobicContact CG-SD 4.27Å; V487-M491 VanDerWaalsContact O-CG 3.26Å; V487-M491 WeakPolarHBondContact O-CG 3.41Å; V487-M491 PolarHBondContact O-N 2.88Å; V487-M491 VanDerWaalsContact O-N 3.09Å; Q488-M491 PolarHBondContact O-N 2.84Å; K489-M491 VanDerWaalsContact C-N 3.31Å; K489-M491 PolarHBondContact O-N 3.34Å
492E71.5Confident76.3Confident159 Ų15980.3 Ų80.374%0.74339%0.392SS*.THydrogen-bonded Turntrans-92.9-6.7179.6-61.2176.5171.100114K489 Y490K489-E492 PolarHBondContact O-N 3.28Å; Y490-E492 PolarHBondContact O-N 3.5Å
493D54.3Low76.4Confident100 Ų10078.6 Ų78.654%0.53539%0.389SS..SBendtrans-147.4173.1-173.3-99.9-21.8000115.3K444 Y490K444-D493 IonicContact NZ-OD2 3.73Å; K444-D493 PolarHBondContact NZ-OD2 3.24Å; Y490-D493 PolarHBondContact O-N 2.81Å
494E51.9Low76.7Confident196 Ų19675.7 Ų75.792%0.91638%0.382SS*.  trans-85.8163-166.3-135.4179.3-164.600117.1
495K56.1Low76.7Confident109 Ų10975.6 Ų75.647%0.47439%0.385SS..  trans-123.4158.9-153.3-44-170.2166.6178.60116.2M447 Y490M447-K495 HydrophobicContact CE-CD 4.13Å; Y490-K495 HydrophobicContact CE1-CD 4.43Å; Y490-K495 WeakPolarHBondContact OH-CD 3.46Å; Y490-K495 VanDerWaalsContact OH-CE 3.25Å; Y490-K495 WeakPolarHBondContact OH-CE 3.46Å; Y490-K495 WeakPolarHBondContact OH-CG 3.5Å
496S56.9Low77.4Confident56 Ų5667.9 Ų67.939%0.39235%0.349SS..EExtended strand (participates in β ladder)trans-132.7143179.255.30000114.5
497L71.1Confident78.1Confident42 Ų4269.7 Ų69.722%0.2236%0.358CS..EExtended strand (participates in β ladder)trans-120.5140.4-173.7-178.471.1000112.3V449 V451 I467 A470 F554V449-L497 HydrophobicContact CB-CD1 3.51Å; V449-L497 HydrophobicContact CG1-CD1 3.52Å; V449-L497 WeakPolarHBondContact O-CD1 3.43Å; V451-L497 HydrophobicContact CG1-CD1 4.26Å; I467-L497 HydrophobicContact CD1-CD2 3.65Å; A470-L497 HydrophobicContact CB-CD1 4.02Å; L497-F554 HydrophobicContact CD2-CB 4.07Å; L497-F554 HydrophobicContact CD2-CD1 3.58Å; L497-F554 HydrophobicContact CD2-CE1 4.29Å; L497-F554 HydrophobicContact CD2-CG 4.08Å; L497-F554 HydrophobicContact CG-CB 3.95Å; L497-F554 HydrophobicContact CG-CD1 4.38Å; L497-F554 HydrophobicContact CG-CG 4.41Å; L497-F554 PolarHBondContact O-N 2.98Å
498A76.5Confident78.5Confident9 Ų973 Ų737%0.07438%0.379CS..EExtended strand (participates in β ladder)trans-128.5169.717900000112.5V449 I450 V451V449-A498 PolarHBondContact O-N 3.38Å; I450-A498 WeakPolarHBondContact CA-O 3.25Å; V451-A498 PolarHBondContact N-O 2.92Å
499K83.7Confident78.9Confident62 Ų6268.2 Ų68.227%0.2736%0.356SS..EExtended strand (participates in β ladder)trans-133.7155.3177.953.7164.1177.8-169.40116V451 M551 I552 F554V451-K499 HydrophobicContact CG2-CB 4.26Å; V451-K499 CarbonylContact O-C 3.4Å; V451-K499 WeakPolarHBondContact O-CA 3.46Å; V451-K499 WeakPolarHBondContact O-CB 3.42Å; K499-M551 WeakPolarHBondContact O-CB 3.2Å; K499-I552 HydrophobicContact CG-CB 4.45Å; K499-I552 WeakPolarHBondContact CG-O 3.5Å; K499-I552 PolarHBondContact N-O 3.07Å; K499-F554 HydrophobicContact CB-CB 4.43Å; K499-F554 HydrophobicContact CB-CD2 3.69Å; K499-F554 HydrophobicContact CB-CE2 4.47Å; K499-F554 HydrophobicContact CD-CD2 3.84Å; K499-F554 HydrophobicContact CD-CE2 4.46Å; K499-F554 HydrophobicContact CG-CB 4.39Å; K499-F554 HydrophobicContact CG-CD2 3.9Å
500V86.8Confident79.9Confident9 Ų965.3 Ų65.36%0.05535%0.346CS..EExtended strand (participates in β ladder)trans-116.4162.3165.4-680000110.7I450 V451 R452 S453 L506 L509 M551I450-V500 HydrophobicContact CG2-CB 4.24Å; I450-V500 HydrophobicContact CG2-CG1 3.62Å; I450-V500 HydrophobicContact CG2-CG2 3.85Å; V451-V500 PolarHBondContact O-N 2.8Å; R452-V500 HydrophobicContact CG-CG2 4.26Å; S453-V500 WeakPolarHBondContact CB-O 3.46Å; S453-V500 PolarHBondContact N-O 3.46Å; S453-V500 PolarHBondContact OG-O 2.88Å; V500-L506 HydrophobicContact CG2-CB 3.97Å; V500-L506 HydrophobicContact CG2-CD1 3.65Å; V500-L506 HydrophobicContact CG2-CG 4.44Å; V500-L509 HydrophobicContact CG1-CD2 4.44Å; V500-M551 HydrophobicContact CG1-CE 3.86Å; V500-M551 HydrophobicContact CG1-CG 3.9Å; V500-M551 HydrophobicContact CG1-SD 3.62Å
501D86.1Confident80.5Confident107 Ų10770.6 Ų70.657%0.57237%0.371SS*.SBendtrans-69.9-51.1-172.7-63.6-30.1000112.1S453 D454S453-D501 PolarHBondContact OG-O 2.92Å; D454-D501 WeakPolarHBondContact CB-O 3.37Å; D454-D501 PolarHBondContact N-O 3.01Å; D454-D501 VanDerWaalsContact N-O 3.1Å
502D88.7Confident81.1Confident64 Ų6470.2 Ų70.234%0.34236%0.363SS..SBendtrans-148.1-178-170.560.829.5000114.4A504 S505 L506D502-A504 PolarHBondContact OD1-N 3Å; D502-S505 PolarHBondContact O-N 3.12Å; D502-S505 VanDerWaalsContact OD1-CB 3.28Å; D502-S505 WeakPolarHBondContact OD1-CB 3.34Å; D502-S505 PolarHBondContact OD1-N 2.95Å; D502-S505 PolarHBondContact OD1-OG 2.73Å; D502-L506 PolarHBondContact O-N 3.29Å
503E92.1Very high82Confident72 Ų7262.6 Ų62.634%0.33633%0.328SS..Hα-helixtrans-58.8-45.7178.6-164.7166.9136.100113.7R452 S505 L506 L507R452-E503 VanDerWaalsContact CZ-CB 3.46Å; R452-E503 IonicContact CZ-OE2 2.6Å; R452-E503 IonicContact NH1-OE2 3.98Å; R452-E503 PolarHBondContact NH1-OE2 3.43Å; R452-E503 IonicContact NH2-OE2 2.79Å; R452-E503 PolarHBondContact NH2-OE2 3.01Å; E503-S505 VanDerWaalsContact C-N 3.27Å; E503-S505 PolarHBondContact O-N 3.39Å; E503-L506 WeakPolarHBondContact O-CB 3.45Å; E503-L506 PolarHBondContact O-N 2.98Å; E503-L506 VanDerWaalsContact O-N 3.13Å; E503-L507 HydrophobicContact CG-CD1 4.09Å; E503-L507 HydrophobicContact CG-CG 4.43Å; E503-L507 WeakPolarHBondContact O-CG 3.38Å; E503-L507 PolarHBondContact O-N 3.3Å
504A91.2Very high83.6Confident61 Ų6161 Ų6150%0.50433%0.325SS..Hα-helixtrans-62.9-40.7-176.800000110.3D502 T508D502-A504 PolarHBondContact OD1-N 3Å; A504-T508 WeakPolarHBondContact O-CB 3.32Å; A504-T508 PolarHBondContact O-N 3.15Å; A504-T508 PolarHBondContact O-OG1 3.2Å
505S89.8Confident85.5Confident44 Ų4458 Ų5831%0.30831%0.31SS..Hα-helixtrans-64.5-41.4174.2-55.70000112.1D502 E503 L509D502-S505 PolarHBondContact O-N 3.12Å; D502-S505 VanDerWaalsContact OD1-CB 3.28Å; D502-S505 WeakPolarHBondContact OD1-CB 3.34Å; D502-S505 PolarHBondContact OD1-N 2.95Å; D502-S505 PolarHBondContact OD1-OG 2.73Å; E503-S505 VanDerWaalsContact C-N 3.27Å; E503-S505 PolarHBondContact O-N 3.39Å; S505-L509 WeakPolarHBondContact O-CB 3.43Å; S505-L509 PolarHBondContact O-N 3.41Å
506L91.3Very high86.9Confident0 Ų055 Ų550%031%0.306CS..Hα-helixtrans-63.5-47.2176.9-167.177.3000111.5I450 R452 V500 D502 E503 L509 S510 L522 P531 I534I450-L506 HydrophobicContact CG2-CD1 3.89Å; R452-L506 HydrophobicContact CG-CB 4.09Å; R452-L506 HydrophobicContact CG-CD1 4.41Å; R452-L506 HydrophobicContact CG-CD2 3.93Å; R452-L506 HydrophobicContact CG-CG 4.36Å; V500-L506 HydrophobicContact CG2-CB 3.97Å; V500-L506 HydrophobicContact CG2-CD1 3.65Å; V500-L506 HydrophobicContact CG2-CG 4.44Å; D502-L506 PolarHBondContact O-N 3.29Å; E503-L506 WeakPolarHBondContact O-CB 3.45Å; E503-L506 PolarHBondContact O-N 2.98Å; E503-L506 VanDerWaalsContact O-N 3.13Å; L506-L509 WeakPolarHBondContact O-CB 3.45Å; L506-L509 PolarHBondContact O-N 3.07Å; L506-S510 PolarHBondContact O-N 3.37Å; L506-L522 HydrophobicContact CD2-CD1 3.9Å; L506-L522 HydrophobicContact CG-CD1 4.26Å; L506-P531 HydrophobicContact CD2-CB 4.15Å; L506-I534 HydrophobicContact CD1-CB 4.41Å; L506-I534 HydrophobicContact CD1-CD1 3.75Å; L506-I534 HydrophobicContact CD1-CG1 3.88Å; L506-I534 HydrophobicContact CG-CD1 3.84Å; L506-I534 HydrophobicContact CG-CG1 4.09Å; L506-I534 VanDerWaalsContact O-CD1 3.31Å; L506-I534 WeakPolarHBondContact O-CD1 3.48Å
507L94.3Very high88.3Confident72 Ų7259.5 Ų59.538%0.37733%0.326SS..Hα-helixtrans-64.9-42.7178.8-69.3173.6000111.8E503 L509 S510 Q511 L522 P531E503-L507 HydrophobicContact CG-CD1 4.09Å; E503-L507 HydrophobicContact CG-CG 4.43Å; E503-L507 WeakPolarHBondContact O-CG 3.38Å; E503-L507 PolarHBondContact O-N 3.3Å; L507-L509 VanDerWaalsContact C-N 3.27Å; L507-L509 PolarHBondContact O-N 3.12Å; L507-S510 PolarHBondContact O-N 2.93Å; L507-Q511 PolarHBondContact O-N 3.44Å; L507-L522 HydrophobicContact CD2-CD2 4Å; L507-P531 HydrophobicContact CD2-CB 4.49Å; L507-P531 HydrophobicContact CD2-CG 4.28Å
508T92.3Very high89Confident73 Ų7358.3 Ų58.345%0.44832%0.32SS..Hα-helixtrans-59.5-39.7175.6-58.70000111.2A504 R512A504-T508 WeakPolarHBondContact O-CB 3.32Å; A504-T508 PolarHBondContact O-N 3.15Å; A504-T508 PolarHBondContact O-OG1 3.2Å; T508-R512 VanDerWaalsContact O-CG 3.29Å; T508-R512 WeakPolarHBondContact O-CG 3.46Å; T508-R512 PolarHBondContact O-N 3.14Å; T508-R512 VanDerWaalsContact O-N 3.07Å
509L91Very high89.7Confident3 Ų362.1 Ų62.12%0.01634%0.336CS..Hα-helixtrans-64.4-47.8174.9177.561.7000112I450 V500 S505 L506 L507 Q511 R512 L513 I534 F547 F548 M551I450-L509 HydrophobicContact CB-CD2 4.36Å; I450-L509 HydrophobicContact CD1-CD2 4.32Å; I450-L509 HydrophobicContact CG1-CD2 4.02Å; I450-L509 HydrophobicContact CG2-CD2 4.09Å; V500-L509 HydrophobicContact CG1-CD2 4.44Å; S505-L509 WeakPolarHBondContact O-CB 3.43Å; S505-L509 PolarHBondContact O-N 3.41Å; L506-L509 WeakPolarHBondContact O-CB 3.45Å; L506-L509 PolarHBondContact O-N 3.07Å; L507-L509 VanDerWaalsContact C-N 3.27Å; L507-L509 PolarHBondContact O-N 3.12Å; L509-Q511 VanDerWaalsContact C-N 3.27Å; L509-Q511 PolarHBondContact O-N 3.38Å; L509-R512 PolarHBondContact O-N 3.15Å; L509-L513 HydrophobicContact CD1-CD1 4.09Å; L509-L513 HydrophobicContact CD1-CG 4.12Å; L509-L513 HydrophobicContact CG-CD1 3.91Å; L509-L513 HydrophobicContact CG-CG 4.39Å; L509-L513 VanDerWaalsContact O-CG 3.3Å; L509-L513 WeakPolarHBondContact O-CG 3.43Å; L509-L513 PolarHBondContact O-N 3.37Å; L509-I534 HydrophobicContact CB-CD1 4.36Å; L509-I534 HydrophobicContact CD2-CD1 4.15Å; L509-I534 HydrophobicContact CG-CD1 4.29Å; L509-F547 HydrophobicContact CD1-CB 4.18Å; L509-F548 HydrophobicContact CD1-CD1 4.48Å; L509-F548 HydrophobicContact CD1-CE1 4.17Å; L509-F548 HydrophobicContact CD2-CE1 4.2Å; L509-M551 HydrophobicContact CB-CE 4.34Å; L509-M551 HydrophobicContact CD1-CE 3.48Å; L509-M551 VanDerWaalsContact CD1-CE 3.48Å; L509-M551 HydrophobicContact CD2-CE 3.27Å; L509-M551 HydrophobicContact CD2-SD 3.93Å; L509-M551 HydrophobicContact CG-CE 3.84Å
510S92.1Very high90.2Very high16 Ų1660.4 Ų60.411%0.11233%0.329CS..Hα-helixtrans-59.5-39.8179-177.80000112L506 L507 L513 S514 H520L506-S510 PolarHBondContact O-N 3.37Å; L507-S510 PolarHBondContact O-N 2.93Å; S510-L513 PolarHBondContact O-N 3.39Å; S510-S514 PolarHBondContact O-N 3.01Å; S510-S514 PolarHBondContact O-OG 2.65Å; S510-H520 PolarHBondContact O-CE1 3.41Å; S510-H520 PolarHBondContact O-NE2 2.96Å; S510-H520 PolarHBondContact OG-NE2 3.24Å
511Q92.7Very high90.5Very high117 Ų11760.9 Ų60.955%0.54733%0.332SS..Hα-helixtrans-63.1-50.6175.6-176.4178.7-9.600111.4L507 L509 L513 S514 E515L507-Q511 PolarHBondContact O-N 3.44Å; L509-Q511 VanDerWaalsContact C-N 3.27Å; L509-Q511 PolarHBondContact O-N 3.38Å; Q511-L513 VanDerWaalsContact C-N 3.27Å; Q511-L513 PolarHBondContact O-N 3.01Å; Q511-S514 WeakPolarHBondContact O-CB 3.39Å; Q511-S514 PolarHBondContact O-N 2.72Å; Q511-S514 VanDerWaalsContact O-N 3.09Å; Q511-E515 HydrophobicContact CG-CG 4.45Å; Q511-E515 WeakPolarHBondContact CG-OE1 3.38Å; Q511-E515 PolarHBondContact NE2-OE1 3.03Å; Q511-E515 WeakPolarHBondContact O-CG 3.42Å; Q511-E515 PolarHBondContact O-N 2.75Å
512R91.8Very high90.8Very high103 Ų10358.3 Ų58.339%0.38932%0.318SS..Hα-helixtrans-58.9-37.5178.5-73.8171.560.6-156.2-4.5113T508 L509 A516T508-R512 VanDerWaalsContact O-CG 3.29Å; T508-R512 WeakPolarHBondContact O-CG 3.46Å; T508-R512 PolarHBondContact O-N 3.14Å; T508-R512 VanDerWaalsContact O-N 3.07Å; L509-R512 PolarHBondContact O-N 3.15Å; R512-A516 WeakPolarHBondContact O-CB 3.26Å; R512-A516 PolarHBondContact O-N 2.97Å
513L90.5Very high91Very high0 Ų058.6 Ų58.60%031%0.314CS..Hα-helixtrans-67.3-42.6176.1-70.6168.3000111.2L509 S510 Q511 A516 N517 V518 H520 I534 L536 F547 F548L509-L513 HydrophobicContact CD1-CD1 4.09Å; L509-L513 HydrophobicContact CD1-CG 4.12Å; L509-L513 HydrophobicContact CG-CD1 3.91Å; L509-L513 HydrophobicContact CG-CG 4.39Å; L509-L513 VanDerWaalsContact O-CG 3.3Å; L509-L513 WeakPolarHBondContact O-CG 3.43Å; L509-L513 PolarHBondContact O-N 3.37Å; S510-L513 PolarHBondContact O-N 3.39Å; Q511-L513 VanDerWaalsContact C-N 3.27Å; Q511-L513 PolarHBondContact O-N 3.01Å; L513-A516 CarbonylContact O-C 3.25Å; L513-A516 PolarHBondContact O-N 2.82Å; L513-N517 PolarHBondContact O-N 3.08Å; L513-V518 HydrophobicContact CB-CB 4.25Å; L513-V518 HydrophobicContact CD2-CB 3.86Å; L513-V518 HydrophobicContact CD2-CG1 3.8Å; L513-V518 HydrophobicContact CD2-CG2 4.29Å; L513-V518 PolarHBondContact O-N 3.06Å; L513-H520 VanDerWaalsContact CB-CE1 3.49Å; L513-H520 WeakPolarHBondContact CB-CE1 3.3Å; L513-I534 HydrophobicContact CD1-CG2 4.24Å; L513-L536 HydrophobicContact CD1-CD1 3.83Å; L513-L536 HydrophobicContact CD2-CD2 4.28Å; L513-F547 HydrophobicContact CD2-CB 3.79Å; L513-F547 HydrophobicContact CD2-CD1 3.93Å; L513-F547 HydrophobicContact CD2-CD2 3.79Å; L513-F547 HydrophobicContact CD2-CE2 4.45Å; L513-F547 HydrophobicContact CD2-CG 3.53Å; L513-F548 HydrophobicContact CD2-CZ 4.16Å
514S89.7Confident91Very high67 Ų6757.3 Ų57.347%0.46931%0.311SS..Hα-helixtrans-63.3-45.1177.3-57.40000111.8S510 Q511 A516 N517 H520S510-S514 PolarHBondContact O-N 3.01Å; S510-S514 PolarHBondContact O-OG 2.65Å; Q511-S514 WeakPolarHBondContact O-CB 3.39Å; Q511-S514 PolarHBondContact O-N 2.72Å; Q511-S514 VanDerWaalsContact O-N 3.09Å; S514-A516 PolarHBondContact O-N 3.32Å; S514-N517 PolarHBondContact O-N 2.96Å; S514-H520 PolarHBondContact OG-CE1 2.76Å; S514-H520 VanDerWaalsContact OG-CE1 3.3Å
515E90.4Very high90.8Very high132 Ų13256.5 Ų56.562%0.61730%0.297SS*.Hα-helixtrans-60.8-30.9176.9-72.1170.7-17800112.3Q511 N517Q511-E515 HydrophobicContact CG-CG 4.45Å; Q511-E515 WeakPolarHBondContact CG-OE1 3.38Å; Q511-E515 PolarHBondContact NE2-OE1 3.03Å; Q511-E515 WeakPolarHBondContact O-CG 3.42Å; Q511-E515 PolarHBondContact O-N 2.75Å; E515-N517 VanDerWaalsContact C-N 3.35Å
516A85.7Confident90.7Very high46 Ų4660.2 Ų60.238%0.3831%0.311SS..THydrogen-bonded Turntrans-90.69.3177.300000114.3R512 L513 S514 V518 F547R512-A516 WeakPolarHBondContact O-CB 3.26Å; R512-A516 PolarHBondContact O-N 2.97Å; L513-A516 CarbonylContact O-C 3.25Å; L513-A516 PolarHBondContact O-N 2.82Å; S514-A516 PolarHBondContact O-N 3.32Å; A516-V518 HydrophobicContact CB-CG2 4.07Å; A516-V518 PolarHBondContact O-N 3.04Å; A516-F547 HydrophobicContact CB-CE1 3.67Å; A516-F547 HydrophobicContact CB-CE2 4.37Å; A516-F547 HydrophobicContact CB-CZ 3.32Å
517N87Confident90.3Very high150 Ų15065.5 Ų65.580%0.80235%0.346SS*.THydrogen-bonded Turntrans54.332.2-175.2-60.8-54.9000113.9L513 S514 E515L513-N517 PolarHBondContact O-N 3.08Å; S514-N517 PolarHBondContact O-N 2.96Å; E515-N517 VanDerWaalsContact C-N 3.35Å
518V86.3Confident89.8Confident18 Ų1868.1 Ų68.111%0.10936%0.356CS..  trans-87.9113.7174.2-177.80000109.2L513 A516 H520 L536 V544 F547L513-V518 HydrophobicContact CB-CB 4.25Å; L513-V518 HydrophobicContact CD2-CB 3.86Å; L513-V518 HydrophobicContact CD2-CG1 3.8Å; L513-V518 HydrophobicContact CD2-CG2 4.29Å; L513-V518 PolarHBondContact O-N 3.06Å; A516-V518 HydrophobicContact CB-CG2 4.07Å; A516-V518 PolarHBondContact O-N 3.04Å; V518-H520 PolarHBondContact O-N 2.85Å; V518-H520 PolarHBondContact O-ND1 2.78Å; V518-L536 HydrophobicContact CG1-CD2 3.65Å; V518-L536 HydrophobicContact CG1-CG 4.26Å; V518-V544 HydrophobicContact CG1-CG1 3.84Å; V518-V544 HydrophobicContact CG2-CG1 4.49Å; V518-F547 HydrophobicContact CG2-CD2 4.29Å; V518-F547 HydrophobicContact CG2-CE2 3.63Å; V518-F547 HydrophobicContact CG2-CZ 3.98Å
519E90.6Very high89.6Confident88 Ų8870.2 Ų70.241%0.41136%0.364SS..  trans-67.8125.1-178.1-68.5-179.8135.900112F481 K537F481-E519 HydrophobicContact CE1-CB 4.05Å; F481-E519 HydrophobicContact CE1-CG 4.14Å; F481-E519 WeakPolarHBondContact CE1-OE1 3.41Å; F481-E519 HydrophobicContact CE2-CB 4.14Å; F481-E519 HydrophobicContact CZ-CB 3.66Å; F481-E519 HydrophobicContact CZ-CG 4.13Å; E519-K537 HydrophobicContact CB-CB 3.98Å; E519-K537 HydrophobicContact CB-CD 4.43Å; E519-K537 WeakPolarHBondContact O-CB 3.49Å; E519-K537 PolarHBondContact O-N 2.86Å; E519-K537 VanDerWaalsContact OE2-CD 3.26Å; E519-K537 WeakPolarHBondContact OE2-CD 3.4Å; E519-K537 WeakPolarHBondContact OE2-CE 3.48Å; E519-K537 IonicContact OE2-NZ 2.81Å; E519-K537 PolarHBondContact OE2-NZ 2.88Å
520H93.3Very high89.5Confident26 Ų2671.7 Ų71.712%0.1237%0.372CS..EExtended strand (participates in β ladder)trans-155172-177.866.3-76.5000111.7S510 L513 S514 V518 I534 A535 L536S510-H520 PolarHBondContact O-CE1 3.41Å; S510-H520 PolarHBondContact O-NE2 2.96Å; S510-H520 PolarHBondContact OG-NE2 3.24Å; L513-H520 VanDerWaalsContact CB-CE1 3.49Å; L513-H520 WeakPolarHBondContact CB-CE1 3.3Å; S514-H520 PolarHBondContact OG-CE1 2.76Å; S514-H520 VanDerWaalsContact OG-CE1 3.3Å; V518-H520 PolarHBondContact O-N 2.85Å; V518-H520 PolarHBondContact O-ND1 2.78Å; H520-I534 HydrophobicContact CB-CG2 4.23Å; H520-A535 CarbonylContact C-O 3.51Å; H520-A535 WeakPolarHBondContact CA-O 3.33Å; H520-A535 WeakPolarHBondContact CB-O 3.31Å; H520-L536 HydrophobicContact CB-CD1 4.21Å; H520-L536 HydrophobicContact CB-CG 4.05Å
521V92.8Very high89.5Confident19 Ų1971.6 Ų71.612%0.11537%0.371CS..EExtended strand (participates in β ladder)trans-122.9120.8171.2171.90000108.5A476 V477 K480 I534 A535A476-V521 HydrophobicContact CB-CG1 4.09Å; V477-V521 HydrophobicContact CB-CB 4.16Å; V477-V521 HydrophobicContact CB-CG2 3.79Å; V477-V521 HydrophobicContact CG2-CB 4.48Å; V477-V521 HydrophobicContact CG2-CG2 3.95Å; K480-V521 HydrophobicContact CD-CG2 4.21Å; V521-I534 CarbonylContact O-C 3.51Å; V521-I534 VanDerWaalsContact O-CA 3.28Å; V521-I534 WeakPolarHBondContact O-CA 3.26Å; V521-A535 PolarHBondContact N-O 3.37Å; V521-A535 PolarHBondContact O-N 3.39Å
522L93.7Very high89.5Confident54 Ų5466 Ų6628%0.28335%0.345SS..EExtended strand (participates in β ladder)trans-83.5116.9162.1176.966.2000108L506 L507 P531 I534L506-L522 HydrophobicContact CD2-CD1 3.9Å; L506-L522 HydrophobicContact CG-CD1 4.26Å; L507-L522 HydrophobicContact CD2-CD2 4Å; L522-P531 HydrophobicContact CD1-CB 4.26Å; L522-I534 HydrophobicContact CB-CG1 4.37Å; L522-I534 HydrophobicContact CD1-CD1 4.03Å; L522-I534 HydrophobicContact CD1-CG1 3.49Å; L522-I534 VanDerWaalsContact CD1-CG1 3.49Å
523W92.5Very high89.6Confident69 Ų6961.1 Ų61.126%0.26133%0.327SS..EExtended strand (participates in β ladder)trans-91.7130.2179.2-171.9-100.8000110.8H472 A473 A476 T532 A533H472-W523 HydrophobicContact CB-CD2 3.88Å; H472-W523 HydrophobicContact CB-CE3 4.39Å; H472-W523 HydrophobicContact CB-CG 4.43Å; H472-W523 HydrophobicContact CB-CH2 4.05Å; H472-W523 HydrophobicContact CB-CZ2 3.5Å; H472-W523 HydrophobicContact CB-CZ3 4.46Å; H472-W523 AromaticContact CG-CZ2 3.91Å; H472-W523 AromaticContact ND1-CZ2 3.77Å; H472-W523 AromaticContact ND1-NE1 3.93Å; A473-W523 HydrophobicContact CB-CB 3.61Å; A473-W523 HydrophobicContact CB-CG 4.15Å; A476-W523 HydrophobicContact CB-CE3 4.1Å; A476-W523 HydrophobicContact CB-CZ3 3.92Å; W523-T532 PolarHBondContact O-N 3.36Å; W523-A533 HydrophobicContact CB-CB 4.39Å; W523-A533 PolarHBondContact N-O 3.35Å
524V91Very high89.7Confident45 Ų4561.1 Ų61.127%0.27333%0.327SS..EExtended strand (participates in β ladder)trans-121120.7-178.9-178.40000107.6N529 L530 P531V524-N529 VanDerWaalsContact CG1-C 3.48Å; V524-L530 CarbonylContact C-O 3.56Å; V524-L530 WeakPolarHBondContact CA-O 3.1Å; V524-P531 HydrophobicContact CG2-CB 4.48Å; V524-P531 HydrophobicContact CG2-CG 4.39Å
525E87.7Confident89.8Confident44 Ų4458 Ų5821%0.20630%0.304CS..EExtended strand (participates in β ladder)trans-73.6136.7175.7-176.368.2164.700110.4W461 Q469 N529 L530 T532W461-E525 HydrophobicContact CH2-CG 4.31Å; Q469-E525 VanDerWaalsContact CD-OE2 3.26Å; Q469-E525 PolarHBondContact NE2-OE1 3.27Å; Q469-E525 PolarHBondContact NE2-OE2 2.89Å; Q469-E525 PolarHBondContact OE1-OE2 3.04Å; E525-N529 VanDerWaalsContact O-CA 3.3Å; E525-N529 WeakPolarHBondContact O-CA 3.32Å; E525-N529 PolarHBondContact O-N 2.97Å; E525-L530 PolarHBondContact N-O 2.81Å; E525-L530 PolarHBondContact O-N 3.28Å; E525-T532 HydrophobicContact CB-CG2 3.93Å
526M87.5Confident89.9Confident122 Ų12251.7 Ų51.760%0.60128%0.275SS*.THydrogen-bonded Turntrans-119.1145.8178.8-65.1-62.5-71.100109.9E528 N529M526-E528 VanDerWaalsContact C-OE2 3.3Å; M526-N529 HydrophobicContact SD-CB 4.22Å
527P83.7Confident90.2Very high111 Ų11150.7 Ų50.772%0.72126%0.262SS*.THydrogen-bonded Turncis-85.8-0.710.634.8-37.6000115.9N529P527-N529 PolarHBondContact O-N 3.19Å; P527-N529 VanDerWaalsContact O-N 3.16Å
528E84.6Confident90.3Very high127 Ų12743.6 Ų43.659%0.59322%0.224SC*.THydrogen-bonded Turntrans-69.1-12.4-173.5-63.775.5-166.400113.7M526 L530M526-E528 VanDerWaalsContact C-OE2 3.3Å; E528-L530 HydrophobicContact CB-CB 4.21Å; E528-L530 PolarHBondContact O-N 3.02Å
529N88Confident90.2Very high117 Ų11743.7 Ų43.763%0.62622%0.224SC*.THydrogen-bonded Turntrans5343.3-176.8-167.249.6000111.8V524 E525 M526 P527V524-N529 VanDerWaalsContact CG1-C 3.48Å; E525-N529 VanDerWaalsContact O-CA 3.3Å; E525-N529 WeakPolarHBondContact O-CA 3.32Å; E525-N529 PolarHBondContact O-N 2.97Å; M526-N529 HydrophobicContact SD-CB 4.22Å; P527-N529 PolarHBondContact O-N 3.19Å; P527-N529 VanDerWaalsContact O-N 3.16Å
530L87.9Confident89.6Confident34 Ų3442.3 Ų42.318%0.17822%0.216CC..EExtended strand (participates in β ladder)trans-106.1117.2-172.3-175.669.2000110.8L455 W461 V524 E525 E528 T532L455-L530 HydrophobicContact CD2-CD2 4.11Å; W461-L530 HydrophobicContact CZ2-CD2 4.34Å; V524-L530 CarbonylContact C-O 3.56Å; V524-L530 WeakPolarHBondContact CA-O 3.1Å; E525-L530 PolarHBondContact N-O 2.81Å; E525-L530 PolarHBondContact O-N 3.28Å; E528-L530 HydrophobicContact CB-CB 4.21Å; E528-L530 PolarHBondContact O-N 3.02Å; L530-T532 HydrophobicContact CD2-CG2 4.24Å; L530-T532 HydrophobicContact CG-CG2 4.29Å; L530-T532 WeakPolarHBondContact O-CG2 3.27Å; L530-T532 PolarHBondContact O-N 2.95Å
531P92.3Very high88.6Confident15 Ų1544.5 Ų44.510%0.09723%0.225CC..EExtended strand (participates in β ladder)trans-65.6119.6172.6-20.732.9000111.1R452 L506 L507 L522 V524R452-P531 WeakPolarHBondContact CD-O 3.43Å; R452-P531 PolarHBondContact NH1-O 2.97Å; L506-P531 HydrophobicContact CD2-CB 4.15Å; L507-P531 HydrophobicContact CD2-CB 4.49Å; L507-P531 HydrophobicContact CD2-CG 4.28Å; L522-P531 HydrophobicContact CD1-CB 4.26Å; V524-P531 HydrophobicContact CG2-CB 4.48Å; V524-P531 HydrophobicContact CG2-CG 4.39Å
532T92.5Very high87.3Confident0 Ų045 Ų450%023%0.23CC..EExtended strand (participates in β ladder)trans-116.7-32.7-171.850.20000113.9R452 L455 W461 Q469 W523 E525 L530R452-T532 PolarHBondContact N-O 2.95Å; L455-T532 HydrophobicContact CD1-CG2 4.07Å; W461-T532 HydrophobicContact CH2-CG2 4.26Å; W461-T532 HydrophobicContact CZ3-CG2 4.48Å; Q469-T532 HydrophobicContact CG-CG2 4.21Å; Q469-T532 PolarHBondContact OE1-OG1 3.07Å; W523-T532 PolarHBondContact O-N 3.36Å; E525-T532 HydrophobicContact CB-CG2 3.93Å; L530-T532 HydrophobicContact CD2-CG2 4.24Å; L530-T532 HydrophobicContact CG-CG2 4.29Å; L530-T532 WeakPolarHBondContact O-CG2 3.27Å; L530-T532 PolarHBondContact O-N 2.95Å
533A93.2Very high86.4Confident0 Ų047.8 Ų47.80%024%0.241CC..EExtended strand (participates in β ladder)trans-151.1159.1-176.600000113.1I450 V451 A473 W523I450-A533 CarbonylContact O-C 3.3Å; I450-A533 WeakPolarHBondContact O-CA 3.34Å; I450-A533 WeakPolarHBondContact O-CB 3.27Å; V451-A533 HydrophobicContact CG1-CB 4.12Å; A473-A533 HydrophobicContact CB-CB 4Å; W523-A533 HydrophobicContact CB-CB 4.39Å; W523-A533 PolarHBondContact N-O 3.35Å
534I93.2Very high85.8Confident0 Ų044.6 Ų44.60%023%0.229CC..EExtended strand (participates in β ladder)trans-121.9134.2165.8-69.7167.2000108.3V449 I450 L506 L509 L513 H520 V521 L522 L536V449-I534 CarbonylContact C-O 3.55Å; V449-I534 WeakPolarHBondContact CA-O 3.3Å; I450-I534 HydrophobicContact CB-CB 4.35Å; I450-I534 HydrophobicContact CD1-CG2 4.36Å; I450-I534 PolarHBondContact N-O 3.13Å; I450-I534 PolarHBondContact O-N 2.91Å; L506-I534 HydrophobicContact CD1-CB 4.41Å; L506-I534 HydrophobicContact CD1-CD1 3.75Å; L506-I534 HydrophobicContact CD1-CG1 3.88Å; L506-I534 HydrophobicContact CG-CD1 3.84Å; L506-I534 HydrophobicContact CG-CG1 4.09Å; L506-I534 VanDerWaalsContact O-CD1 3.31Å; L506-I534 WeakPolarHBondContact O-CD1 3.48Å; L509-I534 HydrophobicContact CB-CD1 4.36Å; L509-I534 HydrophobicContact CD2-CD1 4.15Å; L509-I534 HydrophobicContact CG-CD1 4.29Å; L513-I534 HydrophobicContact CD1-CG2 4.24Å; H520-I534 HydrophobicContact CB-CG2 4.23Å; V521-I534 CarbonylContact O-C 3.51Å; V521-I534 VanDerWaalsContact O-CA 3.28Å; V521-I534 WeakPolarHBondContact O-CA 3.26Å; L522-I534 HydrophobicContact CB-CG1 4.37Å; L522-I534 HydrophobicContact CD1-CD1 4.03Å; L522-I534 HydrophobicContact CD1-CG1 3.49Å; L522-I534 VanDerWaalsContact CD1-CG1 3.49Å; I534-L536 HydrophobicContact CG2-CD1 3.95Å
535A92.9Very high85Confident0 Ų046 Ų460%023%0.229CC..EExtended strand (participates in β ladder)trans-120.3126.8167.600000109.8V449 A473 V477 H520 V521V449-A535 HydrophobicContact CG2-CB 4.34Å; A473-A535 VanDerWaalsContact C-CB 3.45Å; A473-A535 HydrophobicContact CB-CB 3.75Å; A473-A535 WeakPolarHBondContact O-CB 3.45Å; V477-A535 HydrophobicContact CB-CB 4.15Å; V477-A535 HydrophobicContact CG1-CB 3.67Å; H520-A535 CarbonylContact C-O 3.51Å; H520-A535 WeakPolarHBondContact CA-O 3.33Å; H520-A535 WeakPolarHBondContact CB-O 3.31Å; V521-A535 PolarHBondContact N-O 3.37Å; V521-A535 PolarHBondContact O-N 3.39Å
536L92.4Very high84.5Confident1 Ų147.3 Ų47.31%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-79.8153.9175.5-91.174.2000111.5M447 Y448 I450 L513 V518 H520 I534 V544 F548M447-L536 VanDerWaalsContact CG-O 3.28Å; M447-L536 WeakPolarHBondContact CG-O 3.3Å; Y448-L536 PolarHBondContact O-N 2.73Å; I450-L536 HydrophobicContact CD1-CD1 3.9Å; L513-L536 HydrophobicContact CD1-CD1 3.83Å; L513-L536 HydrophobicContact CD2-CD2 4.28Å; V518-L536 HydrophobicContact CG1-CD2 3.65Å; V518-L536 HydrophobicContact CG1-CG 4.26Å; H520-L536 HydrophobicContact CB-CD1 4.21Å; H520-L536 HydrophobicContact CB-CG 4.05Å; I534-L536 HydrophobicContact CG2-CD1 3.95Å; L536-V544 HydrophobicContact CD2-CB 4.08Å; L536-V544 HydrophobicContact CD2-CG1 4.13Å; L536-V544 HydrophobicContact CD2-CG2 4.29Å; L536-F548 HydrophobicContact CD1-CE1 4.07Å; L536-F548 HydrophobicContact CD1-CZ 3.58Å; L536-F548 HydrophobicContact CD2-CE2 3.79Å; L536-F548 HydrophobicContact CD2-CZ 3.4Å; L536-F548 HydrophobicContact CG-CZ 4.11Å
537K91.9Very high84.2Confident25 Ų2543.1 Ų43.111%0.10922%0.216CC..  trans-59.1134.2159.8-171.5-176761760107.7V477 F481 D484 V487 E519 N539V477-K537 HydrophobicContact CG2-CB 4.44Å; F481-K537 HydrophobicContact CB-CD 3.78Å; F481-K537 HydrophobicContact CB-CG 3.85Å; F481-K537 HydrophobicContact CD1-CD 3.91Å; F481-K537 HydrophobicContact CD2-CB 3.86Å; F481-K537 HydrophobicContact CD2-CD 4.14Å; F481-K537 HydrophobicContact CD2-CG 3.87Å; F481-K537 HydrophobicContact CE2-CB 4.17Å; F481-K537 HydrophobicContact CG-CB 4.31Å; F481-K537 HydrophobicContact CG-CD 3.69Å; F481-K537 HydrophobicContact CG-CG 3.84Å; D484-K537 HydrophobicContact CB-CD 4.44Å; D484-K537 IonicContact OD2-NZ 3.45Å; D484-K537 PolarHBondContact OD2-NZ 2.74Å; V487-K537 HydrophobicContact CG2-CD 3.93Å; V487-K537 HydrophobicContact CG2-CG 3.51Å; E519-K537 HydrophobicContact CB-CB 3.98Å; E519-K537 HydrophobicContact CB-CD 4.43Å; E519-K537 WeakPolarHBondContact O-CB 3.49Å; E519-K537 PolarHBondContact O-N 2.86Å; E519-K537 VanDerWaalsContact OE2-CD 3.26Å; E519-K537 WeakPolarHBondContact OE2-CD 3.4Å; E519-K537 WeakPolarHBondContact OE2-CE 3.48Å; E519-K537 IonicContact OE2-NZ 2.81Å; E519-K537 PolarHBondContact OE2-NZ 2.88Å; K537-N539 PolarHBondContact O-N 2.87Å
538P87.8Confident84.1Confident0 Ų038.6 Ų38.60%019%0.185CC..  trans-42.1128.4168.7-31.332.4000112M447 L478 I486 V487 Y490M447-P538 HydrophobicContact CB-CG 4.28Å; L478-P538 HydrophobicContact CD2-CG 3.8Å; I486-P538 HydrophobicContact CG2-CB 4.43Å; I486-P538 WeakPolarHBondContact CG2-O 3.46Å; V487-P538 HydrophobicContact CB-CG 4.46Å; V487-P538 HydrophobicContact CG1-CG 4.39Å; V487-P538 HydrophobicContact CG2-CB 4.3Å; V487-P538 HydrophobicContact CG2-CG 4.02Å; Y490-P538 VanDerWaalsContact CB-CB 3.48Å; Y490-P538 HydrophobicContact CD1-CB 3.76Å; Y490-P538 HydrophobicContact CD1-CG 3.21Å; Y490-P538 HydrophobicContact CD2-CB 4.06Å; Y490-P538 HydrophobicContact CD2-CG 4.35Å; Y490-P538 HydrophobicContact CE1-CG 3.78Å; Y490-P538 HydrophobicContact CG-CB 3.47Å; Y490-P538 VanDerWaalsContact CG-CB 3.47Å; Y490-P538 HydrophobicContact CG-CG 3.53Å
539N84.9Confident83.5Confident21 Ų2138 Ų3811%0.11218%0.181CC..EExtended strand (participates in β ladder)trans-151.2162.5-177.8-153.7-14.8000111L446 K537 Q543 V544L446-N539 PolarHBondContact N-O 3.45Å; L446-N539 PolarHBondContact O-N 2.83Å; K537-N539 PolarHBondContact O-N 2.87Å; N539-Q543 VanDerWaalsContact CG-OE1 3.28Å; N539-Q543 PolarHBondContact ND2-OE1 3.28Å; N539-Q543 PolarHBondContact OD1-OE1 3.22Å; N539-V544 HydrophobicContact CB-CG1 4.03Å; N539-V544 HydrophobicContact CB-CG2 4.47Å
540Y77.8Confident82.8Confident58 Ų5837.4 Ų37.423%0.22719%0.186CC..EExtended strand (participates in β ladder)trans-66.6137.4172.8-59.7-65.8000110.3E443 P445 I486 S542 Q543E443-Y540 HydrophobicContact CB-CD1 4.24Å; E443-Y540 HydrophobicContact CG-CD1 4.26Å; E443-Y540 VanDerWaalsContact O-CD1 3.32Å; E443-Y540 WeakPolarHBondContact O-CD1 3.32Å; E443-Y540 WeakPolarHBondContact O-CE1 3.49Å; P445-Y540 HydrophobicContact CB-CD1 4.36Å; P445-Y540 HydrophobicContact CB-CE1 4.24Å; I486-Y540 HydrophobicContact CD1-CD2 4.32Å; I486-Y540 HydrophobicContact CD1-CE2 3.84Å; I486-Y540 HydrophobicContact CG1-CE2 4.35Å; Y540-S542 PolarHBondContact O-N 3.27Å; Y540-Q543 WeakPolarHBondContact O-CB 3.45Å; Y540-Q543 PolarHBondContact O-N 3.05Å
541K72.8Confident82.4Confident72 Ų7237.4 Ų37.431%0.31319%0.185SC..Hα-helixtrans-59.2-38.9-175.7-174173.5177.1-177.80111.6E443 L446 Q543 V544 R545E443-K541 VanDerWaalsContact OE1-CB 3.29Å; E443-K541 WeakPolarHBondContact OE1-CB 3.46Å; E443-K541 PolarHBondContact OE1-N 3.49Å; L446-K541 HydrophobicContact CD1-CB 3.91Å; L446-K541 HydrophobicContact CD1-CG 4.3Å; L446-K541 HydrophobicContact CD2-CB 4.04Å; L446-K541 HydrophobicContact CD2-CD 4.27Å; L446-K541 HydrophobicContact CG-CB 4.24Å; K541-Q543 PolarHBondContact O-N 3.22Å; K541-V544 PolarHBondContact O-N 2.9Å; K541-R545 HydrophobicContact CG-CB 4.16Å; K541-R545 WeakPolarHBondContact O-CB 3.29Å; K541-R545 PolarHBondContact O-N 3.28Å
542S65.9Low81.6Confident31 Ų3141.7 Ų41.722%0.21721%0.206CC..Hα-helixtrans-47.7-42.1172.452.40000112.6E443 Y540E443-S542 WeakPolarHBondContact OE1-CB 3.3Å; E443-S542 PolarHBondContact OE1-N 3.23Å; E443-S542 PolarHBondContact OE1-OG 3.5Å; E443-S542 WeakPolarHBondContact OE2-CB 3.49Å; E443-S542 PolarHBondContact OE2-OG 3.03Å; Y540-S542 PolarHBondContact O-N 3.27Å
543Q74Confident80.8Confident112 Ų11247 Ų4752%0.52323%0.234SC..Hα-helixtrans-76.4-33-175.3-61.4-1701.200113.9N539 Y540 K541N539-Q543 VanDerWaalsContact CG-OE1 3.28Å; N539-Q543 PolarHBondContact ND2-OE1 3.28Å; N539-Q543 PolarHBondContact OD1-OE1 3.22Å; Y540-Q543 WeakPolarHBondContact O-CB 3.45Å; Y540-Q543 PolarHBondContact O-N 3.05Å; K541-Q543 PolarHBondContact O-N 3.22Å
544V79Confident79.8Confident1 Ų148.4 Ų48.41%0.00624%0.24CC..Hα-helixtrans-119.5-10.1-168.2-59.30000114.9Y448 V518 L536 N539 K541 N546 F547 F548Y448-V544 HydrophobicContact CD2-CG2 3.82Å; Y448-V544 HydrophobicContact CE2-CG2 3.78Å; V518-V544 HydrophobicContact CG1-CG1 3.84Å; V518-V544 HydrophobicContact CG2-CG1 4.49Å; L536-V544 HydrophobicContact CD2-CB 4.08Å; L536-V544 HydrophobicContact CD2-CG1 4.13Å; L536-V544 HydrophobicContact CD2-CG2 4.29Å; N539-V544 HydrophobicContact CB-CG1 4.03Å; N539-V544 HydrophobicContact CB-CG2 4.47Å; K541-V544 PolarHBondContact O-N 2.9Å; V544-N546 PolarHBondContact O-N 3.35Å; V544-F547 HydrophobicContact CB-CD2 4.44Å; V544-F547 VanDerWaalsContact O-CD2 3.29Å; V544-F547 WeakPolarHBondContact O-CD2 3.32Å; V544-F547 PolarHBondContact O-N 2.92Å; V544-F547 VanDerWaalsContact O-N 3.14Å; V544-F548 HydrophobicContact CB-CE2 3.96Å; V544-F548 HydrophobicContact CG2-CE2 4Å; V544-F548 WeakPolarHBondContact O-CD2 3.3Å; V544-F548 WeakPolarHBondContact O-CE2 3.43Å
545R75.9Confident78.5Confident74 Ų7459.9 Ų59.928%0.27929%0.29SS..G310 helixtrans-56.8-29.1-175.9179.5179.1-178.2-157.81.8113.8K541 F547 F548 K549K541-R545 HydrophobicContact CG-CB 4.16Å; K541-R545 WeakPolarHBondContact O-CB 3.29Å; K541-R545 PolarHBondContact O-N 3.28Å; R545-F547 PolarHBondContact O-N 2.87Å; R545-F548 PolarHBondContact O-N 3.37Å; R545-F548 VanDerWaalsContact O-N 3.13Å; R545-K549 PolarHBondContact O-N 3.3Å
546N76.7Confident77.8Confident73 Ų7362.9 Ų62.939%0.3930%0.304SS..G310 helixtrans-64.1-24.4-177.5-73.3-28.8000113.7R307 V544 F548 K549R307-N546 WeakPolarHBondContact CD-OD1 3.26Å; R307-N546 PolarHBondContact NE-OD1 3.05Å; V544-N546 PolarHBondContact O-N 3.35Å; N546-F548 VanDerWaalsContact C-N 3.3Å; N546-F548 PolarHBondContact O-N 3.09Å; N546-K549 WeakPolarHBondContact OD1-CE 3.49Å; N546-K549 PolarHBondContact OD1-NZ 3.3Å; N546-K549 VanDerWaalsContact OD1-NZ 3.09Å
547F81.6Confident77Confident33 Ų3366.1 Ų66.115%0.14532%0.32CS..G310 helixtrans-75.8-20177.5-59.3-75.9000112.9L509 L513 A516 V518 V544 R545 M551L509-F547 HydrophobicContact CD1-CB 4.18Å; L513-F547 HydrophobicContact CD2-CB 3.79Å; L513-F547 HydrophobicContact CD2-CD1 3.93Å; L513-F547 HydrophobicContact CD2-CD2 3.79Å; L513-F547 HydrophobicContact CD2-CE2 4.45Å; L513-F547 HydrophobicContact CD2-CG 3.53Å; A516-F547 HydrophobicContact CB-CE1 3.67Å; A516-F547 HydrophobicContact CB-CE2 4.37Å; A516-F547 HydrophobicContact CB-CZ 3.32Å; V518-F547 HydrophobicContact CG2-CD2 4.29Å; V518-F547 HydrophobicContact CG2-CE2 3.63Å; V518-F547 HydrophobicContact CG2-CZ 3.98Å; V544-F547 HydrophobicContact CB-CD2 4.44Å; V544-F547 VanDerWaalsContact O-CD2 3.29Å; V544-F547 WeakPolarHBondContact O-CD2 3.32Å; V544-F547 PolarHBondContact O-N 2.92Å; V544-F547 VanDerWaalsContact O-N 3.14Å; R545-F547 PolarHBondContact O-N 2.87Å; F547-M551 WeakPolarHBondContact O-CE 3.45Å
548F81Confident76.2Confident16 Ų1668.4 Ų68.47%0.0733%0.332CS..SBendtrans-114.33.7-168.4-47.6-60.7000114.7Y448 I450 L509 L513 L536 V544 R545 N546 S550 M551Y448-F548 HydrophobicContact CD1-CD2 4.05Å; Y448-F548 HydrophobicContact CD1-CE2 4.4Å; Y448-F548 HydrophobicContact CD1-CG 4.38Å; Y448-F548 AromaticContact CD2-CD2 3.84Å; Y448-F548 HydrophobicContact CD2-CD2 3.84Å; Y448-F548 AromaticContact CD2-CE2 3.59Å; Y448-F548 HydrophobicContact CD2-CE2 3.59Å; Y448-F548 HydrophobicContact CD2-CZ 4.43Å; Y448-F548 HydrophobicContact CE1-CD2 4.25Å; Y448-F548 HydrophobicContact CE2-CD2 4.02Å; Y448-F548 HydrophobicContact CE2-CE2 4.12Å; Y448-F548 AromaticContact CG-CD2 3.84Å; Y448-F548 HydrophobicContact CG-CD2 3.84Å; Y448-F548 AromaticContact CG-CE2 3.73Å; Y448-F548 HydrophobicContact CG-CE2 3.73Å; Y448-F548 HydrophobicContact CG-CG 4.46Å; Y448-F548 HydrophobicContact CG-CZ 4.28Å; I450-F548 HydrophobicContact CD1-CD1 4.19Å; I450-F548 HydrophobicContact CD1-CE1 3.66Å; I450-F548 HydrophobicContact CD1-CZ 4.34Å; I450-F548 HydrophobicContact CG1-CD1 4.35Å; I450-F548 HydrophobicContact CG1-CE1 4.25Å; L509-F548 HydrophobicContact CD1-CD1 4.48Å; L509-F548 HydrophobicContact CD1-CE1 4.17Å; L509-F548 HydrophobicContact CD2-CE1 4.2Å; L513-F548 HydrophobicContact CD2-CZ 4.16Å; L536-F548 HydrophobicContact CD1-CE1 4.07Å; L536-F548 HydrophobicContact CD1-CZ 3.58Å; L536-F548 HydrophobicContact CD2-CE2 3.79Å; L536-F548 HydrophobicContact CD2-CZ 3.4Å; L536-F548 HydrophobicContact CG-CZ 4.11Å; V544-F548 HydrophobicContact CB-CE2 3.96Å; V544-F548 HydrophobicContact CG2-CE2 4Å; V544-F548 WeakPolarHBondContact O-CD2 3.3Å; V544-F548 WeakPolarHBondContact O-CE2 3.43Å; R545-F548 PolarHBondContact O-N 3.37Å; R545-F548 VanDerWaalsContact O-N 3.13Å; N546-F548 VanDerWaalsContact C-N 3.3Å; N546-F548 PolarHBondContact O-N 3.09Å; F548-S550 PolarHBondContact O-N 3.46Å; F548-S550 VanDerWaalsContact O-N 3.11Å; F548-M551 HydrophobicContact CB-SD 4.34Å; F548-M551 HydrophobicContact CD1-CE 3.9Å; F548-M551 HydrophobicContact CD1-SD 3.71Å; F548-M551 WeakPolarHBondContact O-CB 3.43Å; F548-M551 PolarHBondContact O-N 3.01Å
549K71Confident75.5Confident116 Ų11672.4 Ų72.450%0.50435%0.351SS..THydrogen-bonded Turntrans-55.6-33.2-173.7-65.3-174.8-155.9177.40114.4R307 R545 N546R307-K549 VanDerWaalsContact NH2-CE 3.34Å; R545-K549 PolarHBondContact O-N 3.3Å; N546-K549 WeakPolarHBondContact OD1-CE 3.49Å; N546-K549 PolarHBondContact OD1-NZ 3.3Å; N546-K549 VanDerWaalsContact OD1-NZ 3.09Å
550S73.7Confident74.9Confident103 Ų10375.6 Ų75.672%0.7237%0.366SS*.THydrogen-bonded Turntrans-89.7-1.5-177.858.10000113.6F548F548-S550 PolarHBondContact O-N 3.46Å; F548-S550 VanDerWaalsContact O-N 3.11Å
551M79.8Confident74.7Confident34 Ų3476.8 Ų76.817%0.16738%0.376CS..PPolyproline II helixtrans-93.3145.4-175.3-65.3177.2-154.300111.4I450 K499 V500 L509 F547 F548I450-M551 HydrophobicContact CG1-SD 4.07Å; I450-M551 HydrophobicContact CG2-SD 4.26Å; K499-M551 WeakPolarHBondContact O-CB 3.2Å; V500-M551 HydrophobicContact CG1-CE 3.86Å; V500-M551 HydrophobicContact CG1-CG 3.9Å; V500-M551 HydrophobicContact CG1-SD 3.62Å; L509-M551 HydrophobicContact CB-CE 4.34Å; L509-M551 HydrophobicContact CD1-CE 3.48Å; L509-M551 VanDerWaalsContact CD1-CE 3.48Å; L509-M551 HydrophobicContact CD2-CE 3.27Å; L509-M551 HydrophobicContact CD2-SD 3.93Å; L509-M551 HydrophobicContact CG-CE 3.84Å; F547-M551 WeakPolarHBondContact O-CE 3.45Å; F548-M551 HydrophobicContact CB-SD 4.34Å; F548-M551 HydrophobicContact CD1-CE 3.9Å; F548-M551 HydrophobicContact CD1-SD 3.71Å; F548-M551 WeakPolarHBondContact O-CB 3.43Å; F548-M551 PolarHBondContact O-N 3.01Å
552I75.9Confident74.9Confident106 Ų10677.1 Ų77.154%0.54438%0.38SS..EExtended strand (participates in β ladder)trans-95.3138.5-179.7-55.3174.7000108.1K499 F554K499-I552 HydrophobicContact CG-CB 4.45Å; K499-I552 WeakPolarHBondContact CG-O 3.5Å; K499-I552 PolarHBondContact N-O 3.07Å; I552-F554 PolarHBondContact O-N 3.16Å
553L75.7Confident75.6Confident110 Ų11080.7 Ų80.758%0.57639%0.393SS*.EExtended strand (participates in β ladder)trans-56.1134170.2-90.9138000109.9K555L553-K555 PolarHBondContact O-N 2.87Å; L553-K555 VanDerWaalsContact O-N 3.12Å
554F71.8Confident75.7Confident30 Ų3078.1 Ų78.113%0.13238%0.382CS..  trans-76.7103.1175.5-164.2-100.6000107.3V451 I456 M463 V466 I467 L497 K499 I552V451-F554 HydrophobicContact CG2-CD1 4.49Å; V451-F554 HydrophobicContact CG2-CD2 3.59Å; V451-F554 HydrophobicContact CG2-CE2 3.64Å; V451-F554 HydrophobicContact CG2-CG 4Å; V451-F554 HydrophobicContact CG2-CZ 4.12Å; I456-F554 HydrophobicContact CD1-CE2 4.28Å; I456-F554 HydrophobicContact CD1-CZ 3.83Å; M463-F554 HydrophobicContact CE-CE1 4.06Å; M463-F554 HydrophobicContact CE-CZ 4.02Å; M463-F554 HydrophobicContact SD-CE1 3.36Å; M463-F554 WeakPolarHBondContact SD-CE1 3.42Å; M463-F554 HydrophobicContact SD-CZ 3.44Å; M463-F554 WeakPolarHBondContact SD-CZ 3.36Å; V466-F554 HydrophobicContact CG1-CZ 4.13Å; I467-F554 HydrophobicContact CD1-CD1 4.3Å; I467-F554 HydrophobicContact CD1-CE1 3.85Å; L497-F554 HydrophobicContact CD2-CB 4.07Å; L497-F554 HydrophobicContact CD2-CD1 3.58Å; L497-F554 HydrophobicContact CD2-CE1 4.29Å; L497-F554 HydrophobicContact CD2-CG 4.08Å; L497-F554 HydrophobicContact CG-CB 3.95Å; L497-F554 HydrophobicContact CG-CD1 4.38Å; L497-F554 HydrophobicContact CG-CG 4.41Å; L497-F554 PolarHBondContact O-N 2.98Å; K499-F554 HydrophobicContact CB-CB 4.43Å; K499-F554 HydrophobicContact CB-CD2 3.69Å; K499-F554 HydrophobicContact CB-CE2 4.47Å; K499-F554 HydrophobicContact CD-CD2 3.84Å; K499-F554 HydrophobicContact CD-CE2 4.46Å; K499-F554 HydrophobicContact CG-CB 4.39Å; K499-F554 HydrophobicContact CG-CD2 3.9Å; I552-F554 PolarHBondContact O-N 3.16Å
555K66.1Low75.4Confident241 Ų24185.1 Ų85.1100%1.04842%0.416SS*.  trans-101.70179.5-70.7-171.3177.7-175.40110.5L553L553-K555 PolarHBondContact O-N 2.87Å; L553-K555 VanDerWaalsContact O-N 3.12Å

Retrieved 555 of 555 residues in 170.6 ms (Link to these results)

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