A0A077ZCQ3_TRITR Loading...

Apoptosis inducing factor 1, mitochondrial

AlphaFold DB , UniProt , Accession A0A077ZCQ3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 586 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
1M52.7Low67.5Low242 Ų242143.8 Ų143.8100%1.19273%0.729SS**  0121.10-88.5173.5170.600107.7M3M1-M3 PolarHBondContact O-N 3.5Å
2R66.3Low67Low227 Ų227140.3 Ų140.386%0.85772%0.723SS**PPolyproline II helixtrans-72.7125.9171.5-153-179.8-168.3-173.22.1106.6
3M59.1Low67.4Low169 Ų169140.6 Ų140.683%0.83374%0.736SS**PPolyproline II helixtrans-65133.6171.4-86.6-176.415900108.2M1 T5M1-M3 PolarHBondContact O-N 3.5Å; M3-T5 PolarHBondContact O-N 3.38Å
4P67.5Low67.7Low90 Ų90136.3 Ų136.358%0.58471%0.712SS**PPolyproline II helixtrans-59.2135.3178.322.5-30.4000109.6E8P4-E8 WeakPolarHBondContact CA-OE2 3.44Å; P4-E8 HydrophobicContact CB-CB 4.18Å; P4-E8 VanDerWaalsContact CB-OE2 3.24Å; P4-E8 WeakPolarHBondContact CB-OE2 3.24Å
5T75.3Confident68.5Low63 Ų63133.3 Ų133.339%0.38770%0.697SS.*PPolyproline II helixtrans-76.9158.8175.658.20000109.4M3 D7 E8M3-T5 PolarHBondContact O-N 3.38Å; T5-D7 PolarHBondContact O-N 2.88Å; T5-E8 WeakPolarHBondContact O-CB 3.16Å; T5-E8 PolarHBondContact O-N 3.05Å
6F73.2Confident69.1Low185 Ų185136.7 Ų136.781%0.81170%0.699SS**G310 helixtrans-55.4-26.8179.2-114.4-87.4000112.6E8 I9F6-E8 VanDerWaalsContact C-N 3.26Å; F6-E8 PolarHBondContact O-N 3.33Å; F6-I9 HydrophobicContact CD1-CD1 4.15Å; F6-I9 HydrophobicContact CE1-CD1 4.34Å; F6-I9 HydrophobicContact CG-CD1 4.34Å; F6-I9 PolarHBondContact O-N 3.4Å
7D75.3Confident69.6Low158 Ų158139.2 Ų139.285%0.84570%0.698SS**G310 helixtrans-69.9-19.4176.3-58.7-36.9000113.5T5T5-D7 PolarHBondContact O-N 2.88Å
8E76.5Confident70.3Confident118 Ų118136.1 Ų136.155%0.55168%0.684SS**G310 helixtrans-90.9-9.3177.8-66.1174.8-172.100112.7P4 T5 F6 P10P4-E8 WeakPolarHBondContact CA-OE2 3.44Å; P4-E8 HydrophobicContact CB-CB 4.18Å; P4-E8 VanDerWaalsContact CB-OE2 3.24Å; P4-E8 WeakPolarHBondContact CB-OE2 3.24Å; T5-E8 WeakPolarHBondContact O-CB 3.16Å; T5-E8 PolarHBondContact O-N 3.05Å; F6-E8 VanDerWaalsContact C-N 3.26Å; F6-E8 PolarHBondContact O-N 3.33Å; E8-P10 VanDerWaalsContact O-CD 3.29Å; E8-P10 WeakPolarHBondContact O-CD 3.4Å
9I66.2Low70.6Confident93 Ų93136.2 Ų136.248%0.47768%0.676SS.*SBendtrans-77.3113.8175-57.7176.2000107.1F6 V11F6-I9 HydrophobicContact CD1-CD1 4.15Å; F6-I9 HydrophobicContact CE1-CD1 4.34Å; F6-I9 HydrophobicContact CG-CD1 4.34Å; F6-I9 PolarHBondContact O-N 3.4Å; I9-V11 PolarHBondContact O-N 2.99Å
10P63.8Low71Confident114 Ų114136.8 Ų136.874%0.7467%0.671SS**  trans-60.9116.2-179.323.6-31.7000109.3E8 P12E8-P10 VanDerWaalsContact O-CD 3.29Å; E8-P10 WeakPolarHBondContact O-CD 3.4Å; P10-P12 WeakPolarHBondContact O-CD 3.29Å
11V66.9Low71.6Confident123 Ų123132.1 Ų132.175%0.74565%0.651SS**  trans-66.1123.3172-1710000107I9 T13I9-V11 PolarHBondContact O-N 2.99Å; V11-T13 PolarHBondContact O-N 2.98Å
12P61Low73Confident101 Ų101126 Ų12666%0.65662%0.619SS**  trans-56.8114176.4-22.532.3000109.3P10 M14P10-P12 WeakPolarHBondContact O-CD 3.29Å; P12-M14 PolarHBondContact O-N 3.4Å
13T72.5Confident73.7Confident145 Ų145119.2 Ų119.289%0.8960%0.596SS**  trans-74-8.8179.752.70000112.7V11V11-T13 PolarHBondContact O-N 2.98Å
14M71.9Confident75Confident80 Ų80114.3 Ų114.339%0.39457%0.573SS.*SBendtrans-99.7144.5177.4-66.1-176.267.300110.8P12 Y16 D18 W19P12-M14 PolarHBondContact O-N 3.4Å; M14-Y16 PolarHBondContact O-N 2.92Å; M14-D18 HydrophobicContact CE-CB 3.98Å; M14-W19 HydrophobicContact CB-CB 4.47Å
15N79.9Confident75.9Confident92 Ų92118.1 Ų118.149%0.49258%0.576SS.*  trans-54.3134.5168.3-175.3-36.3000109.6R17 D18 W19N15-R17 PolarHBondContact O-N 3.06Å; N15-R17 PolarHBondContact OD1-N 3.29Å; N15-R17 VanDerWaalsContact OD1-N 3.08Å; N15-D18 HydrophobicContact CB-CB 4.47Å; N15-D18 PolarHBondContact O-N 3.01Å; N15-W19 PolarHBondContact O-N 3.08Å
16Y77.3Confident76.4Confident187 Ų187119.9 Ų119.973%0.73358%0.581SS**Hα-helixtrans-50.1-37.2-178.583-84.7000112.4M14 Y20M14-Y16 PolarHBondContact O-N 2.92Å; Y16-Y20 VanDerWaalsContact O-CB 3.27Å; Y16-Y20 WeakPolarHBondContact O-CB 3.27Å; Y16-Y20 PolarHBondContact O-N 3.45Å
17R78.6Confident77.1Confident179 Ų179117 Ų11768%0.67557%0.568SS**Hα-helixtrans-66.3-41-179.9-175.7176.7176.4144.3-0.3111.2N15 S21N15-R17 PolarHBondContact O-N 3.06Å; N15-R17 PolarHBondContact OD1-N 3.29Å; N15-R17 VanDerWaalsContact OD1-N 3.08Å; R17-S21 VanDerWaalsContact O-CB 3.26Å; R17-S21 WeakPolarHBondContact O-CB 3.26Å; R17-S21 PolarHBondContact O-N 3.35Å
18D81.4Confident77.8Confident84 Ų84113 Ų11345%0.44955%0.547SS..Hα-helixtrans-70.8-42.8179.5-64.6-29.1000110.7M14 N15 S21 K22M14-D18 HydrophobicContact CE-CB 3.98Å; N15-D18 HydrophobicContact CB-CB 4.47Å; N15-D18 PolarHBondContact O-N 3.01Å; D18-S21 PolarHBondContact O-N 2.93Å; D18-S21 PolarHBondContact O-OG 3.33Å; D18-K22 WeakPolarHBondContact O-CB 3.42Å; D18-K22 PolarHBondContact O-N 2.77Å
19W76.4Confident78.4Confident138 Ų138109.1 Ų109.152%0.52354%0.539SS..Hα-helixtrans-61.2-50.7175.3-173.986.1000111.6M14 N15 S21 K22 E23M14-W19 HydrophobicContact CB-CB 4.47Å; N15-W19 PolarHBondContact O-N 3.08Å; W19-S21 VanDerWaalsContact C-N 3.31Å; W19-S21 PolarHBondContact O-N 2.91Å; W19-K22 WeakPolarHBondContact O-CB 3.21Å; W19-K22 PolarHBondContact O-N 3.39Å; W19-K22 VanDerWaalsContact O-N 3.08Å; W19-E23 PolarHBondContact O-N 3.15Å
20Y78.9Confident79.6Confident148 Ų148109.6 Ų109.658%0.5854%0.542SS*.Hα-helixtrans-59.1-41.6176-175.7-94.6000111.8Y16 K22 E23 N24Y16-Y20 VanDerWaalsContact O-CB 3.27Å; Y16-Y20 WeakPolarHBondContact O-CB 3.27Å; Y16-Y20 PolarHBondContact O-N 3.45Å; Y20-K22 VanDerWaalsContact C-N 3.29Å; Y20-K22 PolarHBondContact O-N 2.89Å; Y20-E23 PolarHBondContact O-N 2.95Å; Y20-N24 WeakPolarHBondContact O-CB 3.44Å; Y20-N24 PolarHBondContact O-N 3.08Å
21S82Confident80.8Confident38 Ų38108.9 Ų108.927%0.26653%0.531SS..Hα-helixtrans-64.9-3217783.60000113.3R17 D18 W19 R25R17-S21 VanDerWaalsContact O-CB 3.26Å; R17-S21 WeakPolarHBondContact O-CB 3.26Å; R17-S21 PolarHBondContact O-N 3.35Å; D18-S21 PolarHBondContact O-N 2.93Å; D18-S21 PolarHBondContact O-OG 3.33Å; W19-S21 VanDerWaalsContact C-N 3.31Å; W19-S21 PolarHBondContact O-N 2.91Å; S21-R25 WeakPolarHBondContact O-CB 3.31Å; S21-R25 VanDerWaalsContact O-CG 3.31Å; S21-R25 WeakPolarHBondContact O-CG 3.34Å; S21-R25 PolarHBondContact O-N 2.88Å; S21-R25 PolarHBondContact O-NE 3.38Å; S21-R25 PolarHBondContact OG-NH2 2.96Å; S21-R25 VanDerWaalsContact OG-NH2 3.15Å
22K83Confident81.9Confident115 Ų115109.1 Ų109.150%0.553%0.527SS..Hα-helixtrans-73.8-47178.5-175.9-176.7177.1-1750110D18 W19 Y20 R25 M26D18-K22 WeakPolarHBondContact O-CB 3.42Å; D18-K22 PolarHBondContact O-N 2.77Å; W19-K22 WeakPolarHBondContact O-CB 3.21Å; W19-K22 PolarHBondContact O-N 3.39Å; W19-K22 VanDerWaalsContact O-N 3.08Å; Y20-K22 VanDerWaalsContact C-N 3.29Å; Y20-K22 PolarHBondContact O-N 2.89Å; K22-R25 PolarHBondContact O-N 3.13Å; K22-M26 PolarHBondContact O-N 3.31Å
23E81.2Confident83.2Confident83 Ų83107.4 Ų107.439%0.38852%0.518SS..Hα-helixtrans-66.2-43.7-179.8-153.661.8-161.400111.6W19 Y20 R25 M26 F27W19-E23 PolarHBondContact O-N 3.15Å; Y20-E23 PolarHBondContact O-N 2.95Å; E23-R25 VanDerWaalsContact C-N 3.31Å; E23-R25 PolarHBondContact O-N 3Å; E23-M26 WeakPolarHBondContact O-CB 3.28Å; E23-M26 PolarHBondContact O-N 3.21Å; E23-M26 VanDerWaalsContact O-N 3.13Å; E23-F27 PolarHBondContact O-N 3.02Å
24N85.6Confident84Confident66 Ų66102 Ų10235%0.35349%0.492SS..Hα-helixtrans-65.8-33.8177.3-158.335.6000112Y20 N28Y20-N24 WeakPolarHBondContact O-CB 3.44Å; Y20-N24 PolarHBondContact O-N 3.08Å; N24-N28 VanDerWaalsContact O-CB 3.28Å; N24-N28 WeakPolarHBondContact O-CB 3.42Å; N24-N28 PolarHBondContact O-N 3.18Å; N24-N28 PolarHBondContact O-ND2 2.91Å
25R86.5Confident84.8Confident171 Ų171100.6 Ų100.665%0.64549%0.493SS*.Hα-helixtrans-66.2-40.5171.6-86.8-177.4-77.2-179.6-7.2112.2S21 K22 E23 G29S21-R25 WeakPolarHBondContact O-CB 3.31Å; S21-R25 VanDerWaalsContact O-CG 3.31Å; S21-R25 WeakPolarHBondContact O-CG 3.34Å; S21-R25 PolarHBondContact O-N 2.88Å; S21-R25 PolarHBondContact O-NE 3.38Å; S21-R25 PolarHBondContact OG-NH2 2.96Å; S21-R25 VanDerWaalsContact OG-NH2 3.15Å; K22-R25 PolarHBondContact O-N 3.13Å; E23-R25 VanDerWaalsContact C-N 3.31Å; E23-R25 PolarHBondContact O-N 3Å; R25-G29 PolarHBondContact O-N 3.16Å
26M87.1Confident85.3Confident99 Ų9999.1 Ų99.149%0.48849%0.493SS..Hα-helixtrans-62.7-48.2175.5-165.5-168.3-53.600110.7K22 E23 G29 I30K22-M26 PolarHBondContact O-N 3.31Å; E23-M26 WeakPolarHBondContact O-CB 3.28Å; E23-M26 PolarHBondContact O-N 3.21Å; E23-M26 VanDerWaalsContact O-N 3.13Å; M26-G29 PolarHBondContact O-N 2.96Å; M26-G29 VanDerWaalsContact O-N 3.16Å; M26-I30 HydrophobicContact CG-CD1 4.47Å; M26-I30 WeakPolarHBondContact O-CG1 3.4Å; M26-I30 PolarHBondContact O-N 2.93Å
27F87.5Confident85.9Confident124 Ų12494.8 Ų94.854%0.54449%0.486SS..Hα-helixtrans-62-45.8178.8-168-99.6000112.3E23 G29 I30 L31E23-F27 PolarHBondContact O-N 3.02Å; F27-G29 VanDerWaalsContact C-N 3.27Å; F27-G29 PolarHBondContact O-N 2.95Å; F27-I30 PolarHBondContact O-N 3.16Å; F27-I30 VanDerWaalsContact O-N 3.16Å; F27-L31 HydrophobicContact CD1-CD1 3.85Å; F27-L31 HydrophobicContact CE1-CD1 3.41Å; F27-L31 VanDerWaalsContact CE1-CD1 3.41Å; F27-L31 HydrophobicContact CZ-CD1 4.19Å; F27-L31 PolarHBondContact O-N 3.36Å
28N89.5Confident86.5Confident74 Ų7491.8 Ų91.840%0.39648%0.482SS..Hα-helixtrans-61.6-35.9174.7-72.4-23000112.2N24 L31 L32N24-N28 VanDerWaalsContact O-CB 3.28Å; N24-N28 WeakPolarHBondContact O-CB 3.42Å; N24-N28 PolarHBondContact O-N 3.18Å; N24-N28 PolarHBondContact O-ND2 2.91Å; N28-L31 PolarHBondContact O-N 2.92Å; N28-L32 WeakPolarHBondContact O-CB 3.44Å; N28-L32 PolarHBondContact O-N 3.01Å
29G88.7Confident86.7Confident38 Ų3891.3 Ų91.339%0.39249%0.486SS..Hα-helixtrans-62.6-42.1173.700000112.9R25 M26 F27 L32 S33R25-G29 PolarHBondContact O-N 3.16Å; M26-G29 PolarHBondContact O-N 2.96Å; M26-G29 VanDerWaalsContact O-N 3.16Å; F27-G29 VanDerWaalsContact C-N 3.27Å; F27-G29 PolarHBondContact O-N 2.95Å; G29-L32 PolarHBondContact O-N 3.48Å; G29-S33 WeakPolarHBondContact O-CB 3.43Å; G29-S33 PolarHBondContact O-N 2.93Å; G29-S33 PolarHBondContact O-OG 3.23Å
30I91Very high87Confident102 Ų10286.7 Ų86.752%0.52348%0.481SS..Hα-helixtrans-66.2-40.1175.4-64.8166.1000111.1M26 F27 S33 G34M26-I30 HydrophobicContact CG-CD1 4.47Å; M26-I30 WeakPolarHBondContact O-CG1 3.4Å; M26-I30 PolarHBondContact O-N 2.93Å; F27-I30 PolarHBondContact O-N 3.16Å; F27-I30 VanDerWaalsContact O-N 3.16Å; I30-S33 WeakPolarHBondContact CA-OG 3.4Å; I30-S33 PolarHBondContact O-N 3.44Å; I30-S33 PolarHBondContact O-OG 2.91Å; I30-G34 PolarHBondContact O-N 2.97Å
31L89.9Confident87.2Confident100 Ų10081.9 Ų81.952%0.52447%0.469SS..Hα-helixtrans-64.6-44.3176.6-115.1152.2000112F27 N28 G34 A35F27-L31 HydrophobicContact CD1-CD1 3.85Å; F27-L31 HydrophobicContact CE1-CD1 3.41Å; F27-L31 VanDerWaalsContact CE1-CD1 3.41Å; F27-L31 HydrophobicContact CZ-CD1 4.19Å; F27-L31 PolarHBondContact O-N 3.36Å; N28-L31 PolarHBondContact O-N 2.92Å; L31-G34 PolarHBondContact O-N 3.5Å; L31-A35 WeakPolarHBondContact O-CB 3.49Å; L31-A35 PolarHBondContact O-N 3.39Å
32L89.9Confident86.9Confident127 Ų12785.6 Ų85.667%0.66549%0.485SS*.Hα-helixtrans-63.8-43.4175.9-87.3156.3000112N28 G29 A35 A36N28-L32 WeakPolarHBondContact O-CB 3.44Å; N28-L32 PolarHBondContact O-N 3.01Å; G29-L32 PolarHBondContact O-N 3.48Å; L32-A35 PolarHBondContact O-N 2.96Å; L32-A36 WeakPolarHBondContact O-CB 3.47Å; L32-A36 PolarHBondContact O-N 2.74Å
33S88Confident86.6Confident65 Ų6585.1 Ų85.146%0.45549%0.488SS..Hα-helixtrans-66.3-41.3176.964.40000111.5G29 I30 A36 V37G29-S33 WeakPolarHBondContact O-CB 3.43Å; G29-S33 PolarHBondContact O-N 2.93Å; G29-S33 PolarHBondContact O-OG 3.23Å; I30-S33 WeakPolarHBondContact CA-OG 3.4Å; I30-S33 PolarHBondContact O-N 3.44Å; I30-S33 PolarHBondContact O-OG 2.91Å; S33-A36 PolarHBondContact O-N 2.92Å; S33-V37 VanDerWaalsContact O-CG2 3.3Å; S33-V37 WeakPolarHBondContact O-CG2 3.3Å; S33-V37 PolarHBondContact O-N 3.44Å
34G88.9Confident86.3Confident33 Ų3386.3 Ų86.334%0.3450%0.496SS..Hα-helixtrans-59.8-45.8173.600000112.9I30 L31 V37 L38I30-G34 PolarHBondContact O-N 2.97Å; L31-G34 PolarHBondContact O-N 3.5Å; G34-V37 PolarHBondContact O-N 3.34Å; G34-L38 WeakPolarHBondContact O-CB 3.33Å; G34-L38 PolarHBondContact O-N 3.4Å
35A90.4Very high85.9Confident50 Ų5087.1 Ų87.141%0.41350%0.497SS..Hα-helixtrans-64.5-39.1176.400000112.5L31 L32 S39L31-A35 WeakPolarHBondContact O-CB 3.49Å; L31-A35 PolarHBondContact O-N 3.39Å; L32-A35 PolarHBondContact O-N 2.96Å; A35-S39 VanDerWaalsContact O-CB 3.29Å; A35-S39 WeakPolarHBondContact O-CB 3.29Å; A35-S39 PolarHBondContact O-N 2.93Å; A35-S39 PolarHBondContact O-OG 3.31Å
36A88.5Confident84.8Confident61 Ų6187.2 Ų87.250%0.50450%0.498SS..Hα-helixtrans-66.5-41.8176.500000112.1L32 S33 S39 G40L32-A36 WeakPolarHBondContact O-CB 3.47Å; L32-A36 PolarHBondContact O-N 2.74Å; S33-A36 PolarHBondContact O-N 2.92Å; A36-S39 PolarHBondContact O-N 3.1Å; A36-G40 PolarHBondContact O-N 2.82Å
37V91.8Very high83.6Confident96 Ų9690.1 Ų90.158%0.58251%0.505SS*.Hα-helixtrans-63.6-48.9175.31710000110.5S33 G34 S39 G40 S41S33-V37 VanDerWaalsContact O-CG2 3.3Å; S33-V37 WeakPolarHBondContact O-CG2 3.3Å; S33-V37 PolarHBondContact O-N 3.44Å; G34-V37 PolarHBondContact O-N 3.34Å; V37-S39 VanDerWaalsContact C-N 3.34Å; V37-S39 PolarHBondContact O-N 3.32Å; V37-G40 PolarHBondContact O-N 3.4Å; V37-S41 PolarHBondContact O-N 2.84Å; V37-S41 PolarHBondContact O-OG 3.32Å
38L90.4Very high82.6Confident115 Ų11588 Ų8860%0.60250%0.502SS*.Hα-helixtrans-58.8-44.2176.9-83.1164.3000112.3G34 S41 L42G34-L38 WeakPolarHBondContact O-CB 3.33Å; G34-L38 PolarHBondContact O-N 3.4Å; L38-S41 PolarHBondContact O-N 2.9Å; L38-L42 WeakPolarHBondContact O-CB 3.42Å; L38-L42 PolarHBondContact O-N 2.93Å
39S84.7Confident81.2Confident74 Ų7486.1 Ų86.152%0.51749%0.492SS..Hα-helixtrans-64.5-43.6177-58.40000111.4A35 A36 V37 L42 L43A35-S39 VanDerWaalsContact O-CB 3.29Å; A35-S39 WeakPolarHBondContact O-CB 3.29Å; A35-S39 PolarHBondContact O-N 2.93Å; A35-S39 PolarHBondContact O-OG 3.31Å; A36-S39 PolarHBondContact O-N 3.1Å; V37-S39 VanDerWaalsContact C-N 3.34Å; V37-S39 PolarHBondContact O-N 3.32Å; S39-L42 PolarHBondContact O-N 3.02Å; S39-L43 VanDerWaalsContact O-CB 3.26Å; S39-L43 WeakPolarHBondContact O-CB 3.1Å; S39-L43 PolarHBondContact O-N 3.37Å
40G83.8Confident79.7Confident41 Ų4189.1 Ų89.142%0.42350%0.499SS..Hα-helixtrans-60.5-42.917500000112.2A36 V37 L43 L44A36-G40 PolarHBondContact O-N 2.82Å; V37-G40 PolarHBondContact O-N 3.4Å; G40-L43 PolarHBondContact O-N 2.99Å; G40-L44 WeakPolarHBondContact O-CB 3.47Å; G40-L44 PolarHBondContact O-N 2.98Å
41S81.9Confident78Confident47 Ų4788.3 Ų88.333%0.32949%0.492SS..Hα-helixtrans-65.3-46.3175.6-59.40000112.3V37 L38 L43 L44 F45V37-S41 PolarHBondContact O-N 2.84Å; V37-S41 PolarHBondContact O-OG 3.32Å; L38-S41 PolarHBondContact O-N 2.9Å; S41-L43 VanDerWaalsContact C-N 3.32Å; S41-L43 PolarHBondContact O-N 3.32Å; S41-L44 WeakPolarHBondContact O-CB 3.23Å; S41-L44 PolarHBondContact O-N 2.92Å; S41-F45 WeakPolarHBondContact O-CB 3.47Å; S41-F45 WeakPolarHBondContact O-CD2 3.45Å; S41-F45 WeakPolarHBondContact O-CG 3.35Å; S41-F45 PolarHBondContact O-N 3.27Å
42L76.9Confident76.3Confident116 Ų11685.4 Ų85.461%0.60748%0.475SS*.Hα-helixtrans-59.6-41.8175.1-96.1151000112.1L38 S39 F45 Y46L38-L42 WeakPolarHBondContact O-CB 3.42Å; L38-L42 PolarHBondContact O-N 2.93Å; S39-L42 PolarHBondContact O-N 3.02Å; L42-F45 PolarHBondContact O-N 3.24Å; L42-Y46 PolarHBondContact O-N 2.98Å
43L76.5Confident74.5Confident106 Ų10682 Ų8256%0.55546%0.457SS*.Hα-helixtrans-67.1-42.1177-158.6128.5000110.7S39 G40 S41 F45 Y46 Y47S39-L43 VanDerWaalsContact O-CB 3.26Å; S39-L43 WeakPolarHBondContact O-CB 3.1Å; S39-L43 PolarHBondContact O-N 3.37Å; G40-L43 PolarHBondContact O-N 2.99Å; S41-L43 VanDerWaalsContact C-N 3.32Å; S41-L43 PolarHBondContact O-N 3.32Å; L43-F45 VanDerWaalsContact C-N 3.35Å; L43-F45 PolarHBondContact O-N 2.76Å; L43-Y46 PolarHBondContact O-N 2.91Å; L43-Y47 HydrophobicContact CD2-CD2 3.61Å; L43-Y47 HydrophobicContact CD2-CE2 3.63Å; L43-Y47 HydrophobicContact CG-CD2 3.99Å; L43-Y47 HydrophobicContact CG-CE2 4.05Å; L43-Y47 WeakPolarHBondContact O-CB 3.44Å; L43-Y47 WeakPolarHBondContact O-CD2 3.41Å; L43-Y47 PolarHBondContact O-N 3.41Å
44L74.5Confident72.6Confident108 Ų10880.6 Ų80.657%0.56545%0.445SS*.Hα-helixtrans-60.9-42.8173.1-158.492.9000111.3G40 S41 Y46 Y47 T48G40-L44 WeakPolarHBondContact O-CB 3.47Å; G40-L44 PolarHBondContact O-N 2.98Å; S41-L44 WeakPolarHBondContact O-CB 3.23Å; S41-L44 PolarHBondContact O-N 2.92Å; L44-Y46 PolarHBondContact O-N 3.38Å; L44-Y47 PolarHBondContact O-N 2.87Å; L44-T48 HydrophobicContact CG-CG2 4.23Å; L44-T48 WeakPolarHBondContact O-CB 3.47Å; L44-T48 WeakPolarHBondContact O-CG2 3.12Å; L44-T48 PolarHBondContact O-N 3.47Å; L44-T48 PolarHBondContact O-OG1 2.83Å
45F76.6Confident70.8Confident82 Ų8280 Ų8036%0.3643%0.434SS..Hα-helixtrans-63.5-39.3176.8-64-33.5000112.4S41 L42 L43 D49 L50 F51S41-F45 WeakPolarHBondContact O-CB 3.47Å; S41-F45 WeakPolarHBondContact O-CD2 3.45Å; S41-F45 WeakPolarHBondContact O-CG 3.35Å; S41-F45 PolarHBondContact O-N 3.27Å; L42-F45 PolarHBondContact O-N 3.24Å; L43-F45 VanDerWaalsContact C-N 3.35Å; L43-F45 PolarHBondContact O-N 2.76Å; F45-D49 PolarHBondContact O-N 2.63Å; F45-L50 HydrophobicContact CD1-CB 4.5Å; F45-L50 HydrophobicContact CD1-CD2 3.69Å; F45-L50 HydrophobicContact CE1-CD2 3.92Å; F45-L50 HydrophobicContact CG-CD2 4.46Å; F45-L50 PolarHBondContact O-N 3.04Å; F45-F51 HydrophobicContact CB-CE2 4.31Å
46Y65.3Low68.8Low174 Ų17479.1 Ų79.168%0.68242%0.422SS*.Hα-helixtrans-65.2-44.5172.9-177.9-95.9000111.6L42 L43 L44 D49L42-Y46 PolarHBondContact O-N 2.98Å; L43-Y46 PolarHBondContact O-N 2.91Å; L44-Y46 PolarHBondContact O-N 3.38Å; Y46-D49 PolarHBondContact O-N 3.04Å
47Y61Low66.7Low160 Ų16078.4 Ų78.463%0.62741%0.41SS*.Hα-helixtrans-75.1-29.9-177.2-94.2-79.6000114.8L43 L44 D49L43-Y47 HydrophobicContact CD2-CD2 3.61Å; L43-Y47 HydrophobicContact CD2-CE2 3.63Å; L43-Y47 HydrophobicContact CG-CD2 3.99Å; L43-Y47 HydrophobicContact CG-CE2 4.05Å; L43-Y47 WeakPolarHBondContact O-CB 3.44Å; L43-Y47 WeakPolarHBondContact O-CD2 3.41Å; L43-Y47 PolarHBondContact O-N 3.41Å; L44-Y47 PolarHBondContact O-N 2.87Å; Y47-D49 VanDerWaalsContact C-N 3.27Å
48T66Low64.7Low80 Ų8074.2 Ų74.249%0.49139%0.386SS..THydrogen-bonded Turntrans-85.9-1.8177.653.60000112.7L44 L50L44-T48 HydrophobicContact CG-CG2 4.23Å; L44-T48 WeakPolarHBondContact O-CB 3.47Å; L44-T48 WeakPolarHBondContact O-CG2 3.12Å; L44-T48 PolarHBondContact O-N 3.47Å; L44-T48 PolarHBondContact O-OG1 2.83Å; T48-L50 PolarHBondContact O-N 3.35Å
49D60.4Low62.7Low34 Ų3469.7 Ų69.718%0.18236%0.363CS..THydrogen-bonded Turntrans50.140.4-176.3-165.634.3000112F45 Y46 Y47 F51 E52 I53 D54F45-D49 PolarHBondContact O-N 2.63Å; Y46-D49 PolarHBondContact O-N 3.04Å; Y47-D49 VanDerWaalsContact C-N 3.27Å; D49-F51 PolarHBondContact O-N 2.82Å; D49-E52 PolarHBondContact O-N 3.13Å; D49-E52 WeakPolarHBondContact OD1-CA 3.42Å; D49-E52 WeakPolarHBondContact OD2-CA 3.34Å; D49-I53 PolarHBondContact OD1-N 2.84Å; D49-D54 PolarHBondContact OD1-N 3.22Å; D49-D54 VanDerWaalsContact OD1-N 3.07Å; D49-D54 WeakPolarHBondContact OD2-CB 3.28Å; D49-D54 PolarHBondContact OD2-N 2.83Å
50L56.9Low60.9Low100 Ų10074.4 Ų74.452%0.52437%0.374SS..THydrogen-bonded Turntrans-60.6-20.9-177.1-162.581.8000112.3F45 T48F45-L50 HydrophobicContact CD1-CB 4.5Å; F45-L50 HydrophobicContact CD1-CD2 3.69Å; F45-L50 HydrophobicContact CE1-CD2 3.92Å; F45-L50 HydrophobicContact CG-CD2 4.46Å; F45-L50 PolarHBondContact O-N 3.04Å; T48-L50 PolarHBondContact O-N 3.35Å
51F56.3Low59.2Low86 Ų8676.5 Ų76.538%0.37738%0.383SS..THydrogen-bonded Turntrans-93.42.5175.7-63.7-65.4000114F45 D49 I53F45-F51 HydrophobicContact CB-CE2 4.31Å; D49-F51 PolarHBondContact O-N 2.82Å; F51-I53 HydrophobicContact CB-CD1 4.06Å; F51-I53 HydrophobicContact CB-CG1 3.88Å; F51-I53 PolarHBondContact O-N 3.41Å
52E52.8Low57.4Low38 Ų3875.1 Ų75.118%0.17837%0.37CS..  trans4938.9-174.4-62.8-164.5141.100113.3D49 D54 V55 K167 H455D49-E52 PolarHBondContact O-N 3.13Å; D49-E52 WeakPolarHBondContact OD1-CA 3.42Å; D49-E52 WeakPolarHBondContact OD2-CA 3.34Å; E52-D54 VanDerWaalsContact C-N 3.31Å; E52-V55 HydrophobicContact CB-CG2 4.3Å; E52-K167 IonicContact OE1-NZ 2.84Å; E52-K167 PolarHBondContact OE1-NZ 2.79Å; E52-H455 IonicContact OE1-NE2 3.53Å; E52-H455 PolarHBondContact OE1-NE2 2.98Å; E52-H455 IonicContact OE2-CD2 3.91Å; E52-H455 PolarHBondContact OE2-CD2 3.01Å; E52-H455 IonicContact OE2-NE2 2.99Å; E52-H455 PolarHBondContact OE2-NE2 2.95Å
53I53.1Low55.9Low55 Ų5577.3 Ų77.328%0.28237%0.37SS..  trans-66.9-36176.4-63.7170.6000109.7D49 F51 L56D49-I53 PolarHBondContact OD1-N 2.84Å; F51-I53 HydrophobicContact CB-CD1 4.06Å; F51-I53 HydrophobicContact CB-CG1 3.88Å; F51-I53 PolarHBondContact O-N 3.41Å; I53-L56 WeakPolarHBondContact O-CB 2.92Å; I53-L56 PolarHBondContact O-N 2.86Å
54D47.1Very low54.3Low37 Ų3780.2 Ų80.220%0.19838%0.379CS..G310 helixtrans-74.3-28.4-173.8-75.4-28.2000113.4D49 E52 L56 L57D49-D54 PolarHBondContact OD1-N 3.22Å; D49-D54 VanDerWaalsContact OD1-N 3.07Å; D49-D54 WeakPolarHBondContact OD2-CB 3.28Å; D49-D54 PolarHBondContact OD2-N 2.83Å; E52-D54 VanDerWaalsContact C-N 3.31Å; D54-L56 PolarHBondContact O-N 3.16Å; D54-L56 VanDerWaalsContact O-N 3.1Å; D54-L57 PolarHBondContact O-N 2.93Å
55V51.2Low52.7Low20 Ų2080.3 Ų80.312%0.12137%0.372CS..G310 helixtrans-60.6-22173.7-175.90000111.3E52 P169E52-V55 HydrophobicContact CB-CG2 4.3Å; V55-P169 HydrophobicContact CG1-CB 4.4Å
56L48.4Very low50.6Low31 Ų3185.7 Ų85.716%0.16240%0.395CS..G310 helixtrans-88-12.7177.8-59.5173.1000113.3I53 D54 K491 V493I53-L56 WeakPolarHBondContact O-CB 2.92Å; I53-L56 PolarHBondContact O-N 2.86Å; D54-L56 PolarHBondContact O-N 3.16Å; D54-L56 VanDerWaalsContact O-N 3.1Å; L56-K491 WeakPolarHBondContact O-CD 3.46Å; L56-K491 WeakPolarHBondContact O-CE 2.94Å; L56-K491 PolarHBondContact O-NZ 3.29Å; L56-V493 HydrophobicContact CD1-CG2 3.95Å
57L45.4Very low49.2Very low46 Ų4681.6 Ų81.624%0.24139%0.388CS..  trans-98.5111.5-170.4-67.7-178.7000113.5D54 P192 K491D54-L57 PolarHBondContact O-N 2.93Å; L57-P192 HydrophobicContact CB-CB 4.49Å; L57-P192 HydrophobicContact CB-CG 3.27Å; L57-P192 HydrophobicContact CD1-CB 4.31Å; L57-P192 HydrophobicContact CD1-CG 3.76Å; L57-P192 HydrophobicContact CG-CG 4.15Å; L57-K491 HydrophobicContact CD2-CD 4.21Å
58A48.8Very low47.7Very low9 Ų984.6 Ų84.67%0.07440%0.4CS..  trans-61.5140.5168.400000113.1Y62 W177A58-Y62 HydrophobicContact CB-CD1 3.47Å; A58-Y62 VanDerWaalsContact CB-CD1 3.47Å; A58-Y62 HydrophobicContact CB-CE1 4.04Å; A58-Y62 HydrophobicContact CB-CG 4.05Å; A58-W177 HydrophobicContact CB-CD2 4.13Å; A58-W177 HydrophobicContact CB-CE3 3.76Å; A58-W177 HydrophobicContact CB-CH2 3.86Å; A58-W177 HydrophobicContact CB-CZ2 4.21Å; A58-W177 HydrophobicContact CB-CZ3 3.63Å
59P48.8Very low45.9Very low20 Ų2091.3 Ų91.313%0.1342%0.416CS..  trans-64.3157-17923.6-31.4000112.4S61 Y62 W177P59-S61 PolarHBondContact O-N 3.17Å; P59-S61 VanDerWaalsContact O-N 3.16Å; P59-Y62 WeakPolarHBondContact O-CB 3.5Å; P59-Y62 PolarHBondContact O-N 3.17Å; P59-W177 HydrophobicContact CG-CB 4.45Å
60K46.8Very low44.3Very low172 Ų17296.6 Ų96.675%0.74844%0.444SS*.G310 helixtrans-57.3-31.9-177.3-72.4-176.6179.8178.40113.7Y62 R63 F64K60-Y62 PolarHBondContact O-N 3.02Å; K60-Y62 VanDerWaalsContact O-N 3.11Å; K60-R63 PolarHBondContact O-N 3.27Å; K60-F64 WeakPolarHBondContact O-CD2 3.49Å
61S47.8Very low43Very low86 Ų86101.8 Ų101.860%0.60146%0.463SS*.G310 helixtrans-56.3-25.2175.449.60000113P59P59-S61 PolarHBondContact O-N 3.17Å; P59-S61 VanDerWaalsContact O-N 3.16Å
62Y44.9Very low41.8Very low17 Ų17101.6 Ų101.67%0.06747%0.472CS..G310 helixtrans-81.4-31.7-176.9-163.3-110.9000113.4A58 P59 K60 F64 W177 A315 P488A58-Y62 HydrophobicContact CB-CD1 3.47Å; A58-Y62 VanDerWaalsContact CB-CD1 3.47Å; A58-Y62 HydrophobicContact CB-CE1 4.04Å; A58-Y62 HydrophobicContact CB-CG 4.05Å; P59-Y62 WeakPolarHBondContact O-CB 3.5Å; P59-Y62 PolarHBondContact O-N 3.17Å; K60-Y62 PolarHBondContact O-N 3.02Å; K60-Y62 VanDerWaalsContact O-N 3.11Å; Y62-F64 PolarHBondContact O-N 3.04Å; Y62-W177 HydrophobicContact CD2-CB 4.33Å; Y62-W177 HydrophobicContact CD2-CG 4.2Å; Y62-W177 HydrophobicContact CE2-CB 4.47Å; Y62-W177 AromaticContact CE2-CD1 3.52Å; Y62-W177 AromaticContact CE2-CG 4Å; Y62-W177 HydrophobicContact CE2-CG 4Å; Y62-W177 AromaticContact CE2-NE1 3.95Å; Y62-W177 AromaticContact CZ-CD1 3.89Å; Y62-W177 AromaticContact CZ-NE1 3.81Å; Y62-A315 HydrophobicContact CD2-CB 4.47Å; Y62-A315 HydrophobicContact CE2-CB 3.24Å; Y62-A315 VanDerWaalsContact CZ-CB 3.44Å; Y62-A315 WeakPolarHBondContact OH-CB 3.39Å; Y62-P488 HydrophobicContact CD1-CB 3.45Å; Y62-P488 VanDerWaalsContact CD1-CB 3.45Å; Y62-P488 HydrophobicContact CD1-CG 3.56Å; Y62-P488 HydrophobicContact CE1-CB 3.56Å; Y62-P488 HydrophobicContact CE1-CG 3.27Å
63R46.3Very low40.7Very low162 Ų162107.8 Ų107.861%0.61151%0.507SS*.THydrogen-bonded Turntrans-68.6-18.4-178.1-72.2-171.4-173171.22.6114K60K60-R63 PolarHBondContact O-N 3.27Å
64F41.4Very low39.6Very low168 Ų168110.6 Ų110.674%0.73753%0.531SS*.THydrogen-bonded Turntrans-114.87.8-171.1-60.2-73.5000114.2K60 Y62 K66K60-F64 WeakPolarHBondContact O-CD2 3.49Å; Y62-F64 PolarHBondContact O-N 3.04Å; F64-K66 PolarHBondContact O-N 2.62Å; F64-K66 VanDerWaalsContact O-N 3.08Å
65R41Very low38.6Very low109 Ų109112.1 Ų112.141%0.41156%0.556SS.*  trans-68.7109.4169.5-78.4-170.5178.3-175.9-2.2108.2V67 A315R65-V67 PolarHBondContact O-N 3.2Å; R65-A315 PolarHBondContact NH1-O 2.7Å
66K33.2Very low37.5Very low195 Ų195116.9 Ų116.985%0.84859%0.59SS**  trans-59.4111.6169.7-77-179.4178.2175.70107.5F64 Y68F64-K66 PolarHBondContact O-N 2.62Å; F64-K66 VanDerWaalsContact O-N 3.08Å; K66-Y68 PolarHBondContact O-N 3.17Å; K66-Y68 VanDerWaalsContact O-N 3.08Å
67V35.5Very low36.3Very low89 Ų89120.2 Ų120.254%0.53962%0.615SS.*  trans-58.3112.4163.4-179.90000105.9R65 R69R65-V67 PolarHBondContact O-N 3.2Å; V67-R69 PolarHBondContact O-N 3.14Å
68Y29Very low35.6Very low222 Ų222123.2 Ų123.287%0.87164%0.638SS**  trans-68.5102.7175.5-128.3-97000106.5K66 D70K66-Y68 PolarHBondContact O-N 3.17Å; K66-Y68 VanDerWaalsContact O-N 3.08Å; Y68-D70 PolarHBondContact O-N 2.93Å
69R29Very low34.4Very low222 Ų222130.5 Ų130.584%0.83868%0.675SS**  trans-67118.9170.2-124.1177.7177.4151.6-2.6106.3V67 K71V67-R69 PolarHBondContact O-N 3.14Å; R69-K71 PolarHBondContact O-N 3.48Å
70D27.7Very low33.4Very low144 Ų144138.6 Ų138.677%0.7771%0.708SS**  trans-53.9114.1165.9-122.9-13.9000106.8Y68 S72Y68-D70 PolarHBondContact O-N 2.93Å; D70-S72 PolarHBondContact O-N 3.29Å
71K28.9Very low32.3Very low209 Ų209136.4 Ų136.491%0.90971%0.709SS**SBendtrans-7966.8175.3-77.2-173.3177.6-179.50107.8R69R69-K71 PolarHBondContact O-N 3.48Å
72S31.4Very low31.4Very low83 Ų83140.7 Ų140.758%0.5872%0.724SS**  trans-135.631.7173.455.90000111.4D70D70-S72 PolarHBondContact O-N 3.29Å
73D28.7Very low30.4Very low168 Ų168148.7 Ų148.790%0.89876%0.76SS**  trans-144.668.3165.2-87.7-35000110.5
74S30.9Very low29.3Very low113 Ų113146.5 Ų146.579%0.7977%0.769SS**SBendtrans-147.799.7154.4640000108.7
75G26.4Very low28.5Very low70 Ų70147.7 Ų147.772%0.72278%0.777SS**  trans23.2134.315300000121.4
76S27.6Very low27.7Very low119 Ų119149.5 Ų149.583%0.83280%0.795SS**  trans81.1103.2152.967.50000119.2
77S23Very low27.5Very low101 Ų101150.2 Ų150.271%0.70680%0.798SS**  trans-5.8137.7132.1-157.10000115.4
78P29.6Very low26.8Very low110 Ų110154.7 Ų154.771%0.71481%0.81SS**  -128133.161.528.4-10.3000115.2K80P78-K80 PolarHBondContact O-N 2.88Å
79L24.4Very low26.7Very low161 Ų161152 Ų15284%0.84381%0.81SS**  trans-48.2110.7156.7-83.1100.3000109.3
80K27.7Very low26.8Very low190 Ų190146.4 Ų146.483%0.82680%0.802SS**  trans-94.8107.8160.2-91-175.9176.6178.30108.6P78 L82P78-K80 PolarHBondContact O-N 2.88Å; K80-L82 PolarHBondContact O-N 2.71Å; K80-L82 VanDerWaalsContact O-N 3.09Å
81T24Very low26.6Very low127 Ų127145.7 Ų145.778%0.77980%0.803SS**  trans-41.4103.8165-32.40000110.9K83T81-K83 PolarHBondContact O-N 2.74Å
82L28.2Very low26.3Very low175 Ų175144.7 Ų144.792%0.91680%0.803SS**  trans-83101.7165.1-79164.6000107.2K80K80-L82 PolarHBondContact O-N 2.71Å; K80-L82 VanDerWaalsContact O-N 3.09Å
83K24.2Very low25.8Very low186 Ų186149.6 Ų149.681%0.80981%0.814SS**  trans-61.6137.8170.6-73.4-179.7174.7-179.20109.8T81 E85T81-K83 PolarHBondContact O-N 2.74Å; K83-E85 PolarHBondContact O-N 2.81Å
84S22.8Very low25.6Very low116 Ų116146.7 Ų146.781%0.81181%0.807SS**  trans-51117.4159.6520000111
85E26Very low25.4Very low192 Ų192149.2 Ų149.290%0.89781%0.811SS**  trans-139.2121.7151.3-82.4-168.2163.600109.8K83K83-E85 PolarHBondContact O-N 2.81Å
86D24.1Very low25.2Very low148 Ų148153.7 Ų153.779%0.79182%0.818SS**  trans-48.3125.7171.8-70.9-61.2000112.9
87K29.2Very low24.9Very low209 Ų209152.7 Ų152.791%0.90981%0.81SS**  trans-129.992.7146.6-81.9-170.6178.2176.60110
88K20.8Very low25Very low184 Ų184154.5 Ų154.580%0.882%0.817SS**  trans-52.7129.3156.2-63.9173.7177.4175.90109.8
89L26.2Very low24.7Very low165 Ų165152.5 Ų152.586%0.86482%0.816SS**  trans-174.9155141.6-127.372.3000110.3
90P31.9Very low24.7Very low104 Ų104149.2 Ų149.268%0.67581%0.812SS**  -117.4161.1-89.935.1-20.8000113.3M92P90-M92 PolarHBondContact O-N 3.4Å; P90-M92 VanDerWaalsContact O-N 3.15Å
91V22.2Very low24.5Very low130 Ų130145.9 Ų145.979%0.78881%0.81SS**  trans-62.5105.5171.9178.10000109.9K93V91-K93 HydrophobicContact CG1-CG 4.23Å
92M22.9Very low24.4Very low187 Ų187145.7 Ų145.792%0.92181%0.809SS**  trans-96.7100.7159.2-85.4-167.3-179.600109.1P90P90-M92 PolarHBondContact O-N 3.4Å; P90-M92 VanDerWaalsContact O-N 3.15Å
93K21.8Very low24.3Very low186 Ų186144.6 Ų144.681%0.80980%0.804SS**  trans-75.3150.4156.9-79.9-179.8174.5179.80109V91V91-K93 HydrophobicContact CG1-CG 4.23Å
94S23.6Very low24.5Very low107 Ų107144.3 Ų144.375%0.74881%0.805SS**  trans78.596.6160.3176.30000117.3
95L25.8Very low24.7Very low167 Ų167143.4 Ų143.487%0.87481%0.805SS**  trans-150.489.9130.2-103.5147.1000108.9
96L22.7Very low24.8Very low164 Ų164142.9 Ų142.986%0.85980%0.802SS**  trans-74134.1156.6-81.5154.7000108
97S22.1Very low25Very low97 Ų97139.1 Ų139.168%0.67880%0.799SS**  trans70.8130.9178.485.60000114
98V25.8Very low25.2Very low140 Ų140134.3 Ų134.385%0.84879%0.791SS**SBendcis-151.4142.531171.60000108.9
99G22.5Very low26.1Very low67 Ų67130.2 Ų130.269%0.69177%0.773SS**  trans99.388.8156.900000115P101G99-P101 WeakPolarHBondContact O-CD 3.18Å
100A23.3Very low26.7Very low92 Ų92128.1 Ų128.176%0.7676%0.759SS**  trans-68.4123.9160.800000109T102A100-T102 PolarHBondContact O-N 2.79Å
101P23.5Very low27.5Very low120 Ų120130.3 Ų130.378%0.77976%0.761SS**  trans-80103.915015.42.3000106.5G99 D103G99-P101 WeakPolarHBondContact O-CD 3.18Å; P101-D103 PolarHBondContact O-N 3.22Å; P101-D103 VanDerWaalsContact O-N 3.12Å
102T23.5Very low28.6Very low124 Ų124132 Ų13276%0.76176%0.757SS**  trans-60.9103.1157.445.90000107.6A100A100-T102 PolarHBondContact O-N 2.79Å
103D25Very low30.7Very low152 Ų152124 Ų12481%0.81372%0.719SS**  trans-164.453.4156.9-95.6-20.2000109.3P101P101-D103 PolarHBondContact O-N 3.22Å; P101-D103 VanDerWaalsContact O-N 3.12Å
104H29.3Very low33.4Very low180 Ų180117.7 Ų117.783%0.83369%0.694SS**  trans-95104.1143.5-73.2-57.5000105.1E106H104-E106 PolarHBondContact O-N 3.32Å
105A26.8Very low36.5Very low97 Ų97114.2 Ų114.280%0.80267%0.667SS**  trans-6079.9164.300000108.1G107A105-G107 PolarHBondContact O-N 3.35Å
106E27.7Very low39.6Very low181 Ų181110.8 Ų110.885%0.84665%0.646SS**  trans-55.895.9142.7-72.5-175.5170.200104.1H104 S108H104-E106 PolarHBondContact O-N 3.32Å; E106-S108 PolarHBondContact O-N 3.19Å
107G28.8Very low42.9Very low69 Ų69105 Ų10571%0.71162%0.618SS**  trans-60.690.9172.900000107.4A105 F109A105-G107 PolarHBondContact O-N 3.35Å; G107-F109 PolarHBondContact O-N 2.86Å
108S33.3Very low46.4Very low107 Ų107103 Ų10375%0.74860%0.597SS**  trans-5990155.847.90000105.3E106 E110E106-S108 PolarHBondContact O-N 3.19Å; S108-E110 VanDerWaalsContact C-N 3.34Å; S108-E110 PolarHBondContact O-N 3.44Å
109F40Very low49.8Very low98 Ų98101.2 Ų101.243%0.4359%0.589SS.*  trans-54.2106.4168-139.6-99.4000105G107 E111 S113 D181 E182 F185G107-F109 PolarHBondContact O-N 2.86Å; F109-E111 PolarHBondContact O-N 3.36Å; F109-E111 VanDerWaalsContact O-N 3.09Å; F109-S113 WeakPolarHBondContact CD1-OG 3.49Å; F109-S113 WeakPolarHBondContact CE1-OG 3.3Å; F109-D181 HydrophobicContact CE2-CB 4.02Å; F109-D181 HydrophobicContact CZ-CB 3.64Å; F109-E182 HydrophobicContact CZ-CB 4.37Å; F109-F185 HydrophobicContact CE1-CD2 4.34Å
110E39.1Very low53.3Low121 Ų121101.9 Ų101.957%0.56558%0.579SS**  trans-54.2124.3179.3-76.8-165.1168.600107.3S108 K112 S113S108-E110 VanDerWaalsContact C-N 3.34Å; S108-E110 PolarHBondContact O-N 3.44Å; E110-K112 HydrophobicContact CB-CB 4.45Å; E110-K112 PolarHBondContact O-N 2.79Å; E110-K112 IonicContact OE1-NZ 3.17Å; E110-K112 WeakPolarHBondContact OE2-CD 3.47Å; E110-K112 IonicContact OE2-NZ 3.25Å; E110-K112 PolarHBondContact OE2-NZ 3.24Å; E110-S113 PolarHBondContact O-N 2.73Å
111E47.3Very low56.8Low151 Ų15198.5 Ų98.571%0.70655%0.55SS*.G310 helixtrans-51.8-9.7178.7-159.4172-162.700113.5F109 S113 H116F109-E111 PolarHBondContact O-N 3.36Å; F109-E111 VanDerWaalsContact O-N 3.09Å; E111-S113 VanDerWaalsContact C-N 3.32Å; E111-S113 PolarHBondContact O-N 3.12Å; E111-H116 PolarHBondContact O-NE2 3.22Å
112K46.7Very low60.1Low166 Ų16696.8 Ų96.872%0.72254%0.541SS*.G310 helixtrans-67.9-18.8177.1-61.4-172-164.2133.80115E110E110-K112 HydrophobicContact CB-CB 4.45Å; E110-K112 PolarHBondContact O-N 2.79Å; E110-K112 IonicContact OE1-NZ 3.17Å; E110-K112 WeakPolarHBondContact OE2-CD 3.47Å; E110-K112 IonicContact OE2-NZ 3.25Å; E110-K112 PolarHBondContact OE2-NZ 3.24Å
113S66.4Low63.3Low18 Ų1897.6 Ų97.613%0.12654%0.541CS..G310 helixtrans-1021.7-175700000115.3F109 E110 E111 Q186F109-S113 WeakPolarHBondContact CD1-OG 3.49Å; F109-S113 WeakPolarHBondContact CE1-OG 3.3Å; E110-S113 PolarHBondContact O-N 2.73Å; E111-S113 VanDerWaalsContact C-N 3.32Å; E111-S113 PolarHBondContact O-N 3.12Å; S113-Q186 VanDerWaalsContact C-NE2 3.27Å; S113-Q186 WeakPolarHBondContact O-CG 3.39Å; S113-Q186 PolarHBondContact O-NE2 2.86Å
114I78.5Confident66.7Low53 Ų5391.5 Ų91.527%0.27251%0.508SS..SBendtrans-96.9138.4177.3-54.6178.8000109.7H116 F185I114-H116 PolarHBondContact O-CD2 2.9Å; I114-H116 PolarHBondContact O-N 3.41Å; I114-H116 PolarHBondContact O-NE2 2.88Å; I114-F185 HydrophobicContact CB-CB 4.36Å; I114-F185 HydrophobicContact CG1-CB 4Å; I114-F185 HydrophobicContact CG1-CG 4.2Å; I114-F185 HydrophobicContact CG2-CB 4.31Å; I114-F185 HydrophobicContact CG2-CD1 4.43Å
115I88.6Confident69.8Low34 Ų3483.2 Ų83.217%0.17447%0.47CS..PPolyproline II helixtrans-71.1118.9171.3-167.1160.7000111.1Y163 F185 L187 F200 F285I115-Y163 HydrophobicContact CG1-CD1 4.35Å; I115-Y163 HydrophobicContact CG1-CE1 4.15Å; I115-Y163 HydrophobicContact CG2-CE1 3.97Å; I115-Y163 PolarHBondContact O-OH 2.85Å; I115-F185 WeakPolarHBondContact CG2-O 3.39Å; I115-F185 PolarHBondContact N-O 2.85Å; I115-L187 HydrophobicContact CG2-CD1 3.97Å; I115-L187 HydrophobicContact CG2-CG 4.03Å; I115-F200 HydrophobicContact CD1-CE2 3.32Å; I115-F200 HydrophobicContact CD1-CZ 3.29Å; I115-F285 HydrophobicContact CG2-CE2 4.06Å; I115-F285 HydrophobicContact CG2-CZ 3.77Å
116H89.8Confident73.2Confident95 Ų9585.9 Ų85.944%0.4446%0.464SS..PPolyproline II helixtrans-89.6143.8-175.4-69.2-70.2000112.4E111 I114E111-H116 PolarHBondContact O-NE2 3.22Å; I114-H116 PolarHBondContact O-CD2 2.9Å; I114-H116 PolarHBondContact O-N 3.41Å; I114-H116 PolarHBondContact O-NE2 2.88Å
117P93.5Very high76.5Confident43 Ų4381.4 Ų81.428%0.27944%0.443SS..PPolyproline II helixtrans-64.8137.9172.328.2-33.3000110.1R162 Y163P117-R162 HydrophobicContact CB-CB 3.67Å; P117-Y163 HydrophobicContact CB-CE2 4.2Å
118K95.4Very high79.8Confident54 Ų5478.3 Ų78.324%0.23541%0.409CS..PPolyproline II helixtrans-68.5151.5176.7-59.8-67176.8172.40110.8R162 Y164 E204 F223K118-R162 VanDerWaalsContact CB-O 3.31Å; K118-R162 WeakPolarHBondContact CB-O 3.12Å; K118-R162 WeakPolarHBondContact CG-O 3.38Å; K118-R162 PolarHBondContact N-O 2.9Å; K118-R162 WeakPolarHBondContact O-CD 3.25Å; K118-Y164 VanDerWaalsContact CE-CE2 3.49Å; K118-E204 IonicContact NZ-OE1 3.27Å; K118-E204 PolarHBondContact NZ-OE1 3.33Å; K118-E204 IonicContact NZ-OE2 3.04Å; K118-E204 PolarHBondContact NZ-OE2 3.22Å; K118-F223 HydrophobicContact CB-CB 4.29Å; K118-F223 HydrophobicContact CB-CD1 4.09Å; K118-F223 HydrophobicContact CB-CD2 3.72Å; K118-F223 HydrophobicContact CB-CE1 4.34Å; K118-F223 HydrophobicContact CB-CE2 3.99Å; K118-F223 HydrophobicContact CB-CG 3.76Å; K118-F223 HydrophobicContact CB-CZ 4.29Å; K118-F223 HydrophobicContact CG-CD1 4.31Å; K118-F223 HydrophobicContact CG-CD2 4.21Å; K118-F223 HydrophobicContact CG-CE1 4.07Å; K118-F223 HydrophobicContact CG-CE2 3.97Å; K118-F223 HydrophobicContact CG-CG 4.37Å; K118-F223 HydrophobicContact CG-CZ 3.88Å
119P95.9Very high82.9Confident104 Ų10474.6 Ų74.668%0.67538%0.383SS*.PPolyproline II helixtrans-64.4154174.128.2-34.9000110.9S121P119-S121 PolarHBondContact O-N 3.29Å
120V97Very high85.7Confident81 Ų8171.1 Ų71.149%0.49137%0.367SS..PPolyproline II helixtrans-60.2126.3174.21780000108.9F223V120-F223 WeakPolarHBondContact CA-O 3.41Å
121S96.3Very high88.6Confident20 Ų2065.3 Ų65.314%0.1434%0.34CS..PPolyproline II helixtrans-71.7133.3-177.7-61.40000111.5P119 A222 F223 R225P119-S121 PolarHBondContact O-N 3.29Å; S121-A222 WeakPolarHBondContact OG-CA 3.48Å; S121-F223 PolarHBondContact N-O 3.44Å; S121-F223 PolarHBondContact OG-N 3.42Å; S121-R225 WeakPolarHBondContact O-CD 3.32Å; S121-R225 PolarHBondContact O-NE 3.06Å
122S93Very high91Very high85 Ų8558.1 Ų58.159%0.59431%0.306SS*.  trans-117.1173.8172.360.20000110.4L124S122-L124 PolarHBondContact O-N 2.61Å
123N90.6Very high93.5Very high141 Ų14150.5 Ų50.575%0.75427%0.274SS*.SBendtrans54.952.6176.8-57.2-38.8000113.4
124L95.9Very high95Very high24 Ų2450.1 Ų50.113%0.12627%0.272CS..  trans-72.6149177.4-55.6-177000110.9S122 V210 A222 R225 L239 I245S122-L124 PolarHBondContact O-N 2.61Å; L124-V210 HydrophobicContact CD2-CG1 3.89Å; L124-A222 HydrophobicContact CD1-CB 4.28Å; L124-A222 HydrophobicContact CD2-CB 3.62Å; L124-R225 HydrophobicContact CD1-CG 4.39Å; L124-L239 HydrophobicContact CD1-CD2 3.22Å; L124-I245 HydrophobicContact CB-CD1 3.98Å; L124-I245 HydrophobicContact CD1-CD1 4.04Å
125P96.2Very high95.9Very high6 Ų648 Ų484%0.03926%0.263CS..  trans-63.9149.1-177.727.9-36.7000111.3H127 L156 E214 I245P125-H127 VanDerWaalsContact C-N 3.32Å; P125-L156 HydrophobicContact CG-CD2 3.95Å; P125-E214 HydrophobicContact CB-CG 4.44Å; P125-I245 WeakPolarHBondContact O-CG1 3.17Å
126K96.3Very high96.3Very high153 Ų15347.1 Ų47.167%0.66526%0.263SS*.SBendtrans-74.5-23.8176.5-64-58.8-175.9-175.50113.3K246K126-K246 PolarHBondContact O-N 3.48Å
127H98Very high96.7Very high87 Ų8743.2 Ų43.240%0.40325%0.245SC..EExtended strand (participates in β ladder)trans-141.7141.4178.3174.4-100.2000110.6P125 K246 N248P125-H127 VanDerWaalsContact C-N 3.32Å; H127-K246 CarbonylContact C-O 3.52Å; H127-K246 VanDerWaalsContact CA-O 3.24Å; H127-K246 WeakPolarHBondContact CA-O 3.45Å; H127-K246 HydrophobicContact CB-CB 4.45Å; H127-K246 PolarHBondContact CD2-O 2.7Å; H127-N248 PolarHBondContact NE2-OD1 2.82Å
128I98.3Very high97Very high3 Ų341.4 Ų41.42%0.01523%0.234CC..EExtended strand (participates in β ladder)trans-141.3137.1171.8-166.771.7000110.6Y130 L131 K154 L156 L213 I245 K246 Y247 N248I128-Y130 WeakPolarHBondContact CG1-O 3.37Å; I128-L131 HydrophobicContact CG2-CB 3.83Å; I128-L131 HydrophobicContact CG2-CD1 4.28Å; I128-K154 HydrophobicContact CD1-CB 3.81Å; I128-K154 WeakPolarHBondContact CD1-O 3.45Å; I128-L156 HydrophobicContact CB-CB 4.44Å; I128-L156 HydrophobicContact CD1-CB 4.18Å; I128-L156 HydrophobicContact CG1-CB 3.79Å; I128-L156 HydrophobicContact CG2-CB 4.42Å; I128-L213 HydrophobicContact CD1-CB 4.33Å; I128-L213 HydrophobicContact CD1-CD1 3.94Å; I128-I245 HydrophobicContact CG2-CG2 3.83Å; I128-K246 PolarHBondContact N-O 2.79Å; I128-Y247 WeakPolarHBondContact O-CA 3.5Å; I128-N248 PolarHBondContact O-N 3.46Å
129P98.3Very high97.2Very high29 Ų2938.8 Ų38.819%0.18822%0.223CC..EExtended strand (participates in β ladder)trans-59.6-49.3173.7-26.536.2000112.9K154 N248 K249P129-K154 HydrophobicContact CG-CB 4.1Å; P129-N248 WeakPolarHBondContact O-CB 3.47Å; P129-N248 PolarHBondContact O-N 2.8Å; P129-K249 PolarHBondContact O-N 2.94Å
130Y98.8Very high97.3Very high25 Ų2534 Ų3410%0.09819%0.192CC..EExtended strand (participates in β ladder)trans-120.9114.2-178.5-54.6-84.4000111I128 I146 D150 A153 K154 I155 L156 K249 M469I128-Y130 WeakPolarHBondContact CG1-O 3.37Å; Y130-I146 HydrophobicContact CD1-CD1 3.9Å; Y130-I146 HydrophobicContact CD1-CG1 4.38Å; Y130-I146 HydrophobicContact CD1-CG2 4.18Å; Y130-I146 HydrophobicContact CD2-CG2 3.88Å; Y130-I146 HydrophobicContact CE1-CG2 4.08Å; Y130-I146 HydrophobicContact CE2-CG2 3.77Å; Y130-I146 HydrophobicContact CG-CD1 4.08Å; Y130-I146 HydrophobicContact CG-CG2 4.09Å; Y130-D150 WeakPolarHBondContact CE2-OD2 3.32Å; Y130-D150 PolarHBondContact OH-OD2 3.42Å; Y130-A153 HydrophobicContact CD2-CB 3.9Å; Y130-A153 HydrophobicContact CE2-CB 3.65Å; Y130-K154 PolarHBondContact N-O 2.95Å; Y130-I155 HydrophobicContact CD2-CG1 4.24Å; Y130-I155 WeakPolarHBondContact O-CA 3.47Å; Y130-L156 PolarHBondContact O-N 3.34Å; Y130-K249 HydrophobicContact CD1-CB 4.02Å; Y130-K249 HydrophobicContact CD1-CG 4.39Å; Y130-K249 HydrophobicContact CE1-CB 4.44Å; Y130-K249 HydrophobicContact CE1-CG 4.31Å; Y130-M469 HydrophobicContact CD1-CB 4.36Å; Y130-M469 HydrophobicContact CD1-CE 4.27Å; Y130-M469 HydrophobicContact CE1-CB 4.33Å
131L98.9Very high97.4Very high0 Ų030.9 Ų30.90%018%0.175CC..EExtended strand (participates in β ladder)trans-104.4119.3174.7-179.465.6000109.9I128 V133 L156 V158 A237 Y247 K249 C250 L251I128-L131 HydrophobicContact CG2-CB 3.83Å; I128-L131 HydrophobicContact CG2-CD1 4.28Å; L131-V133 HydrophobicContact CD2-CG2 4.41Å; L131-V133 HydrophobicContact CG-CG2 4.26Å; L131-L156 HydrophobicContact CD1-CB 4.46Å; L131-L156 HydrophobicContact CD1-CD2 4.24Å; L131-L156 HydrophobicContact CD1-CG 4.46Å; L131-V158 HydrophobicContact CD1-CG2 3.64Å; L131-A237 HydrophobicContact CD2-CB 3.37Å; L131-Y247 HydrophobicContact CB-CG 4.48Å; L131-Y247 HydrophobicContact CD2-CD1 3.89Å; L131-Y247 HydrophobicContact CD2-CG 4.41Å; L131-K249 PolarHBondContact N-O 3.46Å; L131-C250 CarbonylContact O-C 3.51Å; L131-C250 VanDerWaalsContact O-CA 3.29Å; L131-C250 WeakPolarHBondContact O-CA 3.33Å; L131-L251 PolarHBondContact O-N 3.09Å
132L98.9Very high97.5Very high0 Ų030 Ų300%017%0.168CC..EExtended strand (participates in β ladder)trans-112114.1177.7-46.5-175.6000109.7S139 A142 A143 I146 I155 L156 I157 V158 L251 M469L132-S139 WeakPolarHBondContact CD1-O 3.49Å; L132-A142 HydrophobicContact CD1-CB 4.13Å; L132-A143 HydrophobicContact CD1-CB 3.83Å; L132-I146 HydrophobicContact CD2-CD1 4.11Å; L132-I155 HydrophobicContact CD1-CG2 3.58Å; L132-I155 HydrophobicContact CG-CG2 3.81Å; L132-L156 PolarHBondContact N-O 2.87Å; L132-I157 HydrophobicContact CB-CG1 4.16Å; L132-I157 HydrophobicContact CD1-CG1 4.05Å; L132-I157 HydrophobicContact CG-CG1 4.47Å; L132-I157 CarbonylContact O-C 3.55Å; L132-I157 VanDerWaalsContact O-CA 3.31Å; L132-I157 WeakPolarHBondContact O-CA 3.33Å; L132-V158 PolarHBondContact O-N 3.26Å; L132-L251 HydrophobicContact CD2-CB 3.59Å; L132-L251 HydrophobicContact CD2-CD2 4.04Å; L132-L251 HydrophobicContact CD2-CG 4.46Å; L132-M469 HydrophobicContact CD2-CE 3.79Å; L132-M469 HydrophobicContact CD2-SD 4.12Å
133V98.9Very high97.8Very high5 Ų525.9 Ų25.93%0.0314%0.14CC..EExtended strand (participates in β ladder)trans-95.2119.7-176-171.30000110.4L131 I227 L251 A253 T254 L406L131-V133 HydrophobicContact CD2-CG2 4.41Å; L131-V133 HydrophobicContact CG-CG2 4.26Å; V133-I227 HydrophobicContact CG1-CB 3.88Å; V133-I227 HydrophobicContact CG1-CG1 3.87Å; V133-I227 HydrophobicContact CG2-CB 4.34Å; V133-I227 HydrophobicContact CG2-CG1 3.88Å; V133-L251 WeakPolarHBondContact CB-O 3.2Å; V133-L251 PolarHBondContact N-O 3.44Å; V133-A253 CarbonylContact O-C 3.57Å; V133-A253 VanDerWaalsContact O-CA 3.23Å; V133-A253 WeakPolarHBondContact O-CA 3.42Å; V133-A253 WeakPolarHBondContact O-CB 3.45Å; V133-A253 PolarHBondContact O-N 3.08Å; V133-T254 HydrophobicContact CG1-CG2 4Å; V133-T254 PolarHBondContact O-N 2.89Å; V133-L406 HydrophobicContact CB-CD2 4.39Å; V133-L406 HydrophobicContact CG1-CD2 3.76Å
134G98.4Very high98.1Very high10 Ų1025 Ų2510%0.10313%0.129CC..SBendtrans100.7127.6-171.700000111.3G136 S139 V158G134-G136 VanDerWaalsContact C-N 3.32Å; G134-G136 PolarHBondContact O-N 3.14Å; G134-S139 WeakPolarHBondContact O-CB 3.33Å; G134-S139 PolarHBondContact O-OG 2.98Å; G134-V158 WeakPolarHBondContact CA-O 3.48Å; G134-V158 PolarHBondContact N-O 2.82Å
135A97.4Very high98.3Very high10 Ų1024 Ų248%0.08312%0.124CC..SBendtrans-94.237.2-176.700000113.4I157 P165A135-I157 HydrophobicContact CB-CG2 4.01Å; A135-P165 HydrophobicContact CB-CG 4.33Å; A135-P165 WeakPolarHBondContact O-CA 3.13Å; A135-P165 WeakPolarHBondContact O-CB 3.48Å
136G97.7Very high98.4Very high15 Ų1523.7 Ų23.716%0.15512%0.122CC..SBendtrans-98-170-177.100000115G134 A138 S139 A140G134-G136 VanDerWaalsContact C-N 3.32Å; G134-G136 PolarHBondContact O-N 3.14Å; G136-A138 VanDerWaalsContact C-N 3.31Å; G136-A138 PolarHBondContact O-N 2.95Å; G136-S139 PolarHBondContact O-N 3.32Å; G136-A140 PolarHBondContact O-N 3.48Å
137T98.2Very high98.5Very high12 Ų1219.5 Ų19.57%0.07411%0.105CC..Hα-helixtrans-54.9-41.7176.7-63.10000113.2A140 A141 H201 H455 A458 E459T137-A140 PolarHBondContact O-N 3.14Å; T137-A141 WeakPolarHBondContact O-CB 3.48Å; T137-A141 PolarHBondContact O-N 3.24Å; T137-H201 WeakPolarHBondContact CA-NE2 3.34Å; T137-H201 PolarHBondContact OG1-NE2 3.11Å; T137-H455 PolarHBondContact OG1-CE1 3.44Å; T137-H455 PolarHBondContact OG1-ND1 3.43Å; T137-A458 HydrophobicContact CG2-CB 4.25Å; T137-E459 HydrophobicContact CG2-CB 3.88Å
138A98.7Very high98.4Very high5 Ų520.5 Ų20.54%0.04111%0.109CC..Hα-helixtrans-62.5-47.2-178.600000112G136 A140 A141 A142 A253 A436 A458 G462G136-A138 VanDerWaalsContact C-N 3.31Å; G136-A138 PolarHBondContact O-N 2.95Å; A138-A140 PolarHBondContact O-N 2.98Å; A138-A141 PolarHBondContact O-N 2.75Å; A138-A142 WeakPolarHBondContact O-CB 3.29Å; A138-A142 PolarHBondContact O-N 3.39Å; A138-A253 HydrophobicContact CB-CB 3.85Å; A138-A436 HydrophobicContact CB-CB 4.08Å; A138-A458 VanDerWaalsContact CA-O 3.25Å; A138-A458 WeakPolarHBondContact CA-O 3.34Å; A138-A458 HydrophobicContact CB-CB 4.37Å; A138-A458 WeakPolarHBondContact CB-O 3.35Å; A138-G462 VanDerWaalsContact O-CA 3.32Å; A138-G462 WeakPolarHBondContact O-CA 3.48Å
139S98.8Very high98.3Very high0 Ų024.1 Ų24.10%013%0.129CC..Hα-helixtrans-66.8-36.2175.4-62.30000113L132 G134 G136 A141 A142 A143 A253L132-S139 WeakPolarHBondContact CD1-O 3.49Å; G134-S139 WeakPolarHBondContact O-CB 3.33Å; G134-S139 PolarHBondContact O-OG 2.98Å; G136-S139 PolarHBondContact O-N 3.32Å; S139-A141 VanDerWaalsContact C-N 3.34Å; S139-A141 PolarHBondContact O-N 2.85Å; S139-A142 PolarHBondContact O-N 3.47Å; S139-A143 VanDerWaalsContact O-CB 3.29Å; S139-A143 WeakPolarHBondContact O-CB 3.34Å; S139-A143 PolarHBondContact O-N 3.06Å; S139-A253 WeakPolarHBondContact OG-CB 3.24Å
140A98.7Very high98.2Very high4 Ų425 Ų253%0.03313%0.132CC..Hα-helixtrans-62.8-41.8175.600000112G136 T137 A138 K144 P165 H201 R202G136-A140 PolarHBondContact O-N 3.48Å; T137-A140 PolarHBondContact O-N 3.14Å; A138-A140 PolarHBondContact O-N 2.98Å; A140-K144 PolarHBondContact O-N 3.45Å; A140-P165 HydrophobicContact CB-CB 3.96Å; A140-H201 HydrophobicContact CB-CB 3.85Å; A140-R202 PolarHBondContact O-NH2 3.04Å
141A98.7Very high98.1Very high15 Ų1528.3 Ų28.312%0.12416%0.157CC..Hα-helixtrans-69.6-42.417600000111.9T137 A138 S139 K144 A145 E459 A463T137-A141 WeakPolarHBondContact O-CB 3.48Å; T137-A141 PolarHBondContact O-N 3.24Å; A138-A141 PolarHBondContact O-N 2.75Å; S139-A141 VanDerWaalsContact C-N 3.34Å; S139-A141 PolarHBondContact O-N 2.85Å; A141-K144 PolarHBondContact O-N 3.43Å; A141-A145 WeakPolarHBondContact O-CB 3.13Å; A141-A145 PolarHBondContact O-N 3.27Å; A141-E459 HydrophobicContact CB-CG 4.3Å; A141-E459 VanDerWaalsContact CB-O 3.29Å; A141-E459 WeakPolarHBondContact CB-O 3.37Å; A141-A463 HydrophobicContact CB-CB 4.29Å
142A98.9Very high97.9Very high0 Ų034.2 Ų34.20%019%0.188CC..Hα-helixtrans-61.3-47175.800000111.8L132 A138 S139 K144 A145 I146 L251 G462L132-A142 HydrophobicContact CD1-CB 4.13Å; A138-A142 WeakPolarHBondContact O-CB 3.29Å; A138-A142 PolarHBondContact O-N 3.39Å; S139-A142 PolarHBondContact O-N 3.47Å; A142-K144 VanDerWaalsContact C-N 3.27Å; A142-K144 PolarHBondContact O-N 3.23Å; A142-A145 PolarHBondContact O-N 3.16Å; A142-A145 VanDerWaalsContact O-N 3.16Å; A142-I146 VanDerWaalsContact O-CG1 3.27Å; A142-I146 WeakPolarHBondContact O-CG1 3.48Å; A142-I146 PolarHBondContact O-N 2.86Å; A142-L251 HydrophobicContact CB-CD2 3.43Å; A142-L251 VanDerWaalsContact CB-CD2 3.43Å; A142-G462 WeakPolarHBondContact CA-O 3.34Å; A142-G462 WeakPolarHBondContact CB-O 3.26Å; A142-G462 PolarHBondContact N-O 3.3Å
143A98.8Very high97.9Very high0 Ų034.3 Ų34.30%019%0.189CC..Hα-helixtrans-57.8-42.1177.100000111.5L132 S139 Q147 I155 I157 V219L132-A143 HydrophobicContact CD1-CB 3.83Å; S139-A143 VanDerWaalsContact O-CB 3.29Å; S139-A143 WeakPolarHBondContact O-CB 3.34Å; S139-A143 PolarHBondContact O-N 3.06Å; A143-Q147 VanDerWaalsContact O-CG 3.28Å; A143-Q147 WeakPolarHBondContact O-CG 3.28Å; A143-Q147 PolarHBondContact O-N 3.33Å; A143-Q147 VanDerWaalsContact O-N 3.07Å; A143-I155 HydrophobicContact CB-CD1 4.26Å; A143-I155 HydrophobicContact CB-CG2 4.22Å; A143-I155 WeakPolarHBondContact O-CD1 3.46Å; A143-I157 HydrophobicContact CB-CD1 4.28Å; A143-V219 HydrophobicContact CB-CG1 4.18Å; A143-V219 HydrophobicContact CB-CG2 4.4Å
144K98.4Very high97.9Very high123 Ų12336.9 Ų36.954%0.53520%0.2SC..Hα-helixtrans-62.9-48.7175.7-170.1-168178.1-146.60111.5A140 A141 A142 I146 Q147 E148A140-K144 PolarHBondContact O-N 3.45Å; A141-K144 PolarHBondContact O-N 3.43Å; A142-K144 VanDerWaalsContact C-N 3.27Å; A142-K144 PolarHBondContact O-N 3.23Å; K144-I146 VanDerWaalsContact C-N 3.33Å; K144-I146 PolarHBondContact O-N 3.4Å; K144-Q147 PolarHBondContact O-N 3.4Å; K144-E148 WeakPolarHBondContact CE-OE1 3.36Å; K144-E148 IonicContact NZ-OE1 3.84Å; K144-E148 PolarHBondContact NZ-OE1 3.46Å; K144-E148 WeakPolarHBondContact O-CG 3.13Å; K144-E148 PolarHBondContact O-N 2.95Å
145A98.7Very high97.9Very high2 Ų236.4 Ų36.42%0.01720%0.195CC..Hα-helixtrans-64.4-34.9-179.300000113.3A141 A142 E148 N149 A463A141-A145 WeakPolarHBondContact O-CB 3.13Å; A141-A145 PolarHBondContact O-N 3.27Å; A142-A145 PolarHBondContact O-N 3.16Å; A142-A145 VanDerWaalsContact O-N 3.16Å; A145-E148 PolarHBondContact O-N 3.42Å; A145-N149 PolarHBondContact O-N 3.19Å; A145-A463 HydrophobicContact CB-CB 4.39Å; A145-A463 WeakPolarHBondContact CB-O 3.35Å
146I98.7Very high97.9Very high0 Ų035.9 Ų35.90%019%0.191CC..Hα-helixtrans-63.7-50.4171.6-67.3162.3000109.4Y130 L132 A142 K144 E148 N149 D150 A153 I155 G466 M469Y130-I146 HydrophobicContact CD1-CD1 3.9Å; Y130-I146 HydrophobicContact CD1-CG1 4.38Å; Y130-I146 HydrophobicContact CD1-CG2 4.18Å; Y130-I146 HydrophobicContact CD2-CG2 3.88Å; Y130-I146 HydrophobicContact CE1-CG2 4.08Å; Y130-I146 HydrophobicContact CE2-CG2 3.77Å; Y130-I146 HydrophobicContact CG-CD1 4.08Å; Y130-I146 HydrophobicContact CG-CG2 4.09Å; L132-I146 HydrophobicContact CD2-CD1 4.11Å; A142-I146 VanDerWaalsContact O-CG1 3.27Å; A142-I146 WeakPolarHBondContact O-CG1 3.48Å; A142-I146 PolarHBondContact O-N 2.86Å; K144-I146 VanDerWaalsContact C-N 3.33Å; K144-I146 PolarHBondContact O-N 3.4Å; I146-E148 PolarHBondContact O-N 3.22Å; I146-N149 PolarHBondContact O-N 3.35Å; I146-D150 PolarHBondContact O-N 3.2Å; I146-A153 HydrophobicContact CG2-CB 3.54Å; I146-I155 HydrophobicContact CB-CD1 3.71Å; I146-I155 HydrophobicContact CD1-CD1 4.25Å; I146-I155 HydrophobicContact CG2-CD1 3.54Å; I146-I155 HydrophobicContact CG2-CG1 4.15Å; I146-G466 WeakPolarHBondContact CG1-O 3.37Å; I146-M469 HydrophobicContact CD1-SD 4.26Å
147Q97.9Very high98Very high65 Ų6535.2 Ų35.230%0.30418%0.184SC..Hα-helixtrans-61.7-28.9179.4-69.9-177.8-76.300113.5A143 K144 N149 I155 R202 V219A143-Q147 VanDerWaalsContact O-CG 3.28Å; A143-Q147 WeakPolarHBondContact O-CG 3.28Å; A143-Q147 PolarHBondContact O-N 3.33Å; A143-Q147 VanDerWaalsContact O-N 3.07Å; K144-Q147 PolarHBondContact O-N 3.4Å; Q147-N149 VanDerWaalsContact C-N 3.34Å; Q147-I155 HydrophobicContact CG-CD1 3.87Å; Q147-R202 VanDerWaalsContact OE1-NH1 3.13Å; Q147-V219 VanDerWaalsContact CD-CG2 3.43Å; Q147-V219 HydrophobicContact CG-CG2 4.21Å; Q147-V219 VanDerWaalsContact OE1-CG2 3.31Å
148E97.1Very high98Very high107 Ų10734.7 Ų34.750%0.518%0.18SC..Hα-helixtrans-67.4-32.9174.7-74.5170.4-176.100112.3K144 A145 I146 H467K144-E148 WeakPolarHBondContact CE-OE1 3.36Å; K144-E148 IonicContact NZ-OE1 3.84Å; K144-E148 PolarHBondContact NZ-OE1 3.46Å; K144-E148 WeakPolarHBondContact O-CG 3.13Å; K144-E148 PolarHBondContact O-N 2.95Å; A145-E148 PolarHBondContact O-N 3.42Å; I146-E148 PolarHBondContact O-N 3.22Å; E148-H467 IonicContact OE2-CE1 2.76Å; E148-H467 PolarHBondContact OE2-CE1 3.31Å
149N96.4Very high98Very high80 Ų8034.6 Ų34.643%0.42818%0.18SC..Hα-helixtrans-95.5-31.8179.9-74-9.9000113.2A145 I146 Q147 H467 S470A145-N149 PolarHBondContact O-N 3.19Å; I146-N149 PolarHBondContact O-N 3.35Å; Q147-N149 VanDerWaalsContact C-N 3.34Å; N149-H467 PolarHBondContact ND2-ND1 2.96Å; N149-S470 WeakPolarHBondContact CB-OG 3.33Å; N149-S470 PolarHBondContact ND2-OG 3.26Å
150D96.1Very high97.9Very high46 Ų4639.7 Ų39.725%0.24621%0.207CC..  trans-13485.9-176.3-179.14.8000109Y130 I146 D152 A153Y130-D150 WeakPolarHBondContact CE2-OD2 3.32Å; Y130-D150 PolarHBondContact OH-OD2 3.42Å; I146-D150 PolarHBondContact O-N 3.2Å; D150-D152 PolarHBondContact O-N 2.98Å; D150-D152 PolarHBondContact OD1-N 3.19Å; D150-A153 HydrophobicContact CB-CB 4.08Å; D150-A153 WeakPolarHBondContact O-CB 3.46Å; D150-A153 PolarHBondContact O-N 3.12Å; D150-A153 PolarHBondContact OD1-N 3.4Å
151P95.3Very high97.7Very high95 Ų9540.4 Ų40.462%0.61721%0.211SC*.THydrogen-bonded Turntrans-61.4-22.5179.7-25.636000114.1A153P151-A153 VanDerWaalsContact C-N 3.32Å
152D96.4Very high97.6Very high124 Ų12445 Ų4566%0.66323%0.225SC*.THydrogen-bonded Turntrans-92.69.7178.3-66.4-44.4000112.5D150 K154 P217D150-D152 PolarHBondContact O-N 2.98Å; D150-D152 PolarHBondContact OD1-N 3.19Å; D152-K154 PolarHBondContact O-N 3.2Å; D152-P217 VanDerWaalsContact C-CB 3.48Å; D152-P217 HydrophobicContact CB-CB 4.49Å; D152-P217 WeakPolarHBondContact O-CB 3.32Å
153A97.5Very high97.5Very high3 Ų345.7 Ų45.73%0.02523%0.227CC..  trans-61.1136179.400000112.4Y130 I146 D150 P151 I155 G218Y130-A153 HydrophobicContact CD2-CB 3.9Å; Y130-A153 HydrophobicContact CE2-CB 3.65Å; I146-A153 HydrophobicContact CG2-CB 3.54Å; D150-A153 HydrophobicContact CB-CB 4.08Å; D150-A153 WeakPolarHBondContact O-CB 3.46Å; D150-A153 PolarHBondContact O-N 3.12Å; D150-A153 PolarHBondContact OD1-N 3.4Å; P151-A153 VanDerWaalsContact C-N 3.32Å; A153-I155 HydrophobicContact CB-CD1 4.05Å; A153-I155 HydrophobicContact CB-CG1 3.87Å; A153-G218 PolarHBondContact O-N 2.93Å
154K98.5Very high97.5Very high58 Ų5846.6 Ų46.625%0.25223%0.231SC..EExtended strand (participates in β ladder)trans-102.5110.6167.5-67.2168.1172-164.80108.2I128 P129 Y130 D152 L213 E214I128-K154 HydrophobicContact CD1-CB 3.81Å; I128-K154 WeakPolarHBondContact CD1-O 3.45Å; P129-K154 HydrophobicContact CG-CB 4.1Å; Y130-K154 PolarHBondContact N-O 2.95Å; D152-K154 PolarHBondContact O-N 3.2Å; K154-L213 HydrophobicContact CB-CD2 4.28Å; K154-L213 WeakPolarHBondContact CD-O 3.27Å; K154-L213 WeakPolarHBondContact CE-O 3.28Å; K154-L213 PolarHBondContact NZ-O 2.85Å; K154-E214 PolarHBondContact NZ-O 3.07Å
155I98.8Very high97.4Very high0 Ų040.8 Ų40.80%021%0.206CC..EExtended strand (participates in β ladder)trans-120121.7-171.1-48.2180000109.3Y130 L132 A143 I146 Q147 A153 G218 V219 A220Y130-I155 HydrophobicContact CD2-CG1 4.24Å; Y130-I155 WeakPolarHBondContact O-CA 3.47Å; L132-I155 HydrophobicContact CD1-CG2 3.58Å; L132-I155 HydrophobicContact CG-CG2 3.81Å; A143-I155 HydrophobicContact CB-CD1 4.26Å; A143-I155 HydrophobicContact CB-CG2 4.22Å; A143-I155 WeakPolarHBondContact O-CD1 3.46Å; I146-I155 HydrophobicContact CB-CD1 3.71Å; I146-I155 HydrophobicContact CD1-CD1 4.25Å; I146-I155 HydrophobicContact CG2-CD1 3.54Å; I146-I155 HydrophobicContact CG2-CG1 4.15Å; Q147-I155 HydrophobicContact CG-CD1 3.87Å; A153-I155 HydrophobicContact CB-CD1 4.05Å; A153-I155 HydrophobicContact CB-CG1 3.87Å; I155-G218 PolarHBondContact N-O 2.94Å; I155-V219 HydrophobicContact CB-CG1 4.39Å; I155-V219 HydrophobicContact CB-CG2 4.17Å; I155-V219 HydrophobicContact CD1-CG2 4.06Å; I155-V219 HydrophobicContact CG1-CG2 4.45Å; I155-V219 HydrophobicContact CG2-CG1 4.46Å; I155-V219 WeakPolarHBondContact O-CA 3.35Å; I155-A220 PolarHBondContact O-N 3.2Å
156L98.8Very high97.4Very high0 Ų040.9 Ų40.90%021%0.206CC..EExtended strand (participates in β ladder)trans-108.2117.4172.5-177.365.2000109.8P125 I128 Y130 L131 L132 V158 V210 L213 A220 A222 I245P125-L156 HydrophobicContact CG-CD2 3.95Å; I128-L156 HydrophobicContact CB-CB 4.44Å; I128-L156 HydrophobicContact CD1-CB 4.18Å; I128-L156 HydrophobicContact CG1-CB 3.79Å; I128-L156 HydrophobicContact CG2-CB 4.42Å; Y130-L156 PolarHBondContact O-N 3.34Å; L131-L156 HydrophobicContact CD1-CB 4.46Å; L131-L156 HydrophobicContact CD1-CD2 4.24Å; L131-L156 HydrophobicContact CD1-CG 4.46Å; L132-L156 PolarHBondContact N-O 2.87Å; L156-V158 HydrophobicContact CD2-CG2 3.94Å; L156-V158 HydrophobicContact CG-CG2 3.9Å; L156-V210 HydrophobicContact CD1-CG1 4.21Å; L156-V210 HydrophobicContact CD1-CG2 4.13Å; L156-L213 HydrophobicContact CB-CD1 4.1Å; L156-L213 HydrophobicContact CD1-CD1 4.04Å; L156-A220 HydrophobicContact CD1-CB 4.28Å; L156-A222 HydrophobicContact CD1-CB 4.22Å; L156-I245 HydrophobicContact CD2-CD1 3.87Å
157I98.8Very high97.2Very high0 Ų043.5 Ų43.50%022%0.217CC..EExtended strand (participates in β ladder)trans-91.6126.3168.5-56.8176.4000108L132 A135 A143 P165 V219 A220 V221 A222L132-I157 HydrophobicContact CB-CG1 4.16Å; L132-I157 HydrophobicContact CD1-CG1 4.05Å; L132-I157 HydrophobicContact CG-CG1 4.47Å; L132-I157 CarbonylContact O-C 3.55Å; L132-I157 VanDerWaalsContact O-CA 3.31Å; L132-I157 WeakPolarHBondContact O-CA 3.33Å; A135-I157 HydrophobicContact CB-CG2 4.01Å; A143-I157 HydrophobicContact CB-CD1 4.28Å; I157-P165 HydrophobicContact CD1-CG 4.2Å; I157-V219 HydrophobicContact CD1-CG1 3.87Å; I157-V219 HydrophobicContact CG1-CG1 4.22Å; I157-A220 PolarHBondContact N-O 3.39Å; I157-V221 HydrophobicContact CB-CG2 4.29Å; I157-V221 HydrophobicContact CD1-CG2 4.48Å; I157-V221 CarbonylContact O-C 3.47Å; I157-V221 VanDerWaalsContact O-CA 3.31Å; I157-V221 WeakPolarHBondContact O-CA 3.36Å; I157-A222 PolarHBondContact O-N 3.41Å
158V98.7Very high97.1Very high1 Ų143.6 Ų43.61%0.00622%0.215CC..EExtended strand (participates in β ladder)trans-115125176.9-175.40000109L131 L132 G134 L156 A222 R225 I227L131-V158 HydrophobicContact CD1-CG2 3.64Å; L132-V158 PolarHBondContact O-N 3.26Å; G134-V158 WeakPolarHBondContact CA-O 3.48Å; G134-V158 PolarHBondContact N-O 2.82Å; L156-V158 HydrophobicContact CD2-CG2 3.94Å; L156-V158 HydrophobicContact CG-CG2 3.9Å; V158-A222 HydrophobicContact CG1-CB 4.36Å; V158-A222 HydrophobicContact CG2-CB 4.16Å; V158-R225 HydrophobicContact CG1-CB 3.79Å; V158-I227 HydrophobicContact CB-CG1 4.34Å; V158-I227 HydrophobicContact CG1-CD1 4.2Å; V158-I227 HydrophobicContact CG1-CG1 4.13Å
159G97.9Very high96.9Very high3 Ų339.7 Ų39.73%0.03120%0.199CC..EExtended strand (participates in β ladder)trans-148.3154.517900000113.1D161 A222 F223 G224 R225G159-D161 VanDerWaalsContact C-N 3.3Å; G159-A222 PolarHBondContact N-O 3.48Å; G159-A222 VanDerWaalsContact N-O 3.08Å; G159-F223 CarbonylContact O-C 3.59Å; G159-G224 PolarHBondContact O-N 3.24Å; G159-R225 CarbonylContact C-O 3.41Å; G159-R225 PolarHBondContact O-N 3.43Å; G159-R225 VanDerWaalsContact O-O 3.08Å
160D96.2Very high96.8Very high108 Ų10836 Ų3658%0.57818%0.179SC*.SBendtrans-75.2-20.7174.252.9-7.3000113.1G224 R225 R226D160-G224 WeakPolarHBondContact O-CA 3.45Å; D160-R225 PolarHBondContact N-O 2.95Å; D160-R226 HydrophobicContact CB-CG 3.73Å
161D95.3Very high96.7Very high19 Ų1933.8 Ų33.810%0.10217%0.167CC..  trans-64.8147.1171.6-152.6-41000111.3G159 Y163 Y166 G224G159-D161 VanDerWaalsContact C-N 3.3Å; D161-Y163 WeakPolarHBondContact OD1-CD2 3.15Å; D161-Y163 PolarHBondContact OD1-N 3.45Å; D161-Y166 WeakPolarHBondContact OD2-CE1 3.33Å; D161-Y166 PolarHBondContact OD2-OH 3.4Å; D161-G224 PolarHBondContact O-N 3.23Å; D161-G224 VanDerWaalsContact O-N 3.15Å
162R96.7Very high96.7Very high111 Ų11129.7 Ų29.742%0.41914%0.14SC..SBendtrans-103.410.4177.8-61.7-165.3-60.2155.6-3.6112.6P117 K118P117-R162 HydrophobicContact CB-CB 3.67Å; K118-R162 VanDerWaalsContact CB-O 3.31Å; K118-R162 WeakPolarHBondContact CB-O 3.12Å; K118-R162 WeakPolarHBondContact CG-O 3.38Å; K118-R162 PolarHBondContact N-O 2.9Å; K118-R162 WeakPolarHBondContact O-CD 3.25Å
163Y96.8Very high96.4Very high14 Ų1424.7 Ų24.76%0.05511%0.113CC..SBendtrans-111.8155.7171.6-63.8-82000111.1I115 P117 D161 V281I115-Y163 HydrophobicContact CG1-CD1 4.35Å; I115-Y163 HydrophobicContact CG1-CE1 4.15Å; I115-Y163 HydrophobicContact CG2-CE1 3.97Å; I115-Y163 PolarHBondContact O-OH 2.85Å; P117-Y163 HydrophobicContact CB-CE2 4.2Å; D161-Y163 WeakPolarHBondContact OD1-CD2 3.15Å; D161-Y163 PolarHBondContact OD1-N 3.45Å; Y163-V281 HydrophobicContact CD2-CB 3.88Å; Y163-V281 HydrophobicContact CD2-CG1 3.85Å; Y163-V281 HydrophobicContact CD2-CG2 4.43Å; Y163-V281 HydrophobicContact CE1-CG1 4.19Å; Y163-V281 HydrophobicContact CE2-CB 3.91Å; Y163-V281 HydrophobicContact CE2-CG1 3.49Å; Y163-V281 VanDerWaalsContact CE2-CG1 3.49Å; Y163-V281 HydrophobicContact CG-CG1 4.36Å
164Y97.6Very high96Very high20 Ų2024.9 Ų24.98%0.07811%0.114CC..  trans-60.8152.4169.8-71.2-75.8000110.4K118 Y166 F200 E204 Y207 V221 F223K118-Y164 VanDerWaalsContact CE-CE2 3.49Å; Y164-Y166 VanDerWaalsContact O-CD1 3.26Å; Y164-Y166 WeakPolarHBondContact O-CD1 3.34Å; Y164-Y166 PolarHBondContact O-N 3.41Å; Y164-F200 WeakPolarHBondContact O-CD1 3.15Å; Y164-F200 WeakPolarHBondContact O-CE1 3.34Å; Y164-E204 HydrophobicContact CD2-CB 4.5Å; Y164-E204 HydrophobicContact CE2-CB 3.88Å; Y164-E204 VanDerWaalsContact CE2-CD 3.42Å; Y164-E204 HydrophobicContact CE2-CG 3.68Å; Y164-E204 WeakPolarHBondContact CE2-OE1 3.11Å; Y164-E204 WeakPolarHBondContact OH-CG 3.49Å; Y164-E204 PolarHBondContact OH-OE1 3.09Å; Y164-Y207 HydrophobicContact CD1-CD1 4.31Å; Y164-Y207 AromaticContact CD1-CD2 3.31Å; Y164-Y207 HydrophobicContact CD1-CD2 3.31Å; Y164-Y207 HydrophobicContact CD1-CE1 4.36Å; Y164-Y207 AromaticContact CD1-CE2 3.34Å; Y164-Y207 HydrophobicContact CD1-CE2 3.34Å; Y164-Y207 AromaticContact CD1-CG 3.8Å; Y164-Y207 HydrophobicContact CD1-CG 3.8Å; Y164-Y207 AromaticContact CD1-CZ 3.9Å; Y164-Y207 HydrophobicContact CE1-CD1 4.44Å; Y164-Y207 AromaticContact CE1-CD2 3.42Å; Y164-Y207 HydrophobicContact CE1-CD2 3.42Å; Y164-Y207 VanDerWaalsContact CE1-CD2 3.42Å; Y164-Y207 AromaticContact CE1-CE2 3.99Å; Y164-Y207 HydrophobicContact CE1-CE2 3.99Å; Y164-Y207 AromaticContact CE1-CG 3.67Å; Y164-Y207 HydrophobicContact CE1-CG 3.67Å; Y164-Y207 HydrophobicContact CG-CD2 4.08Å; Y164-Y207 AromaticContact CG-CE2 3.83Å; Y164-Y207 HydrophobicContact CG-CE2 3.83Å; Y164-V221 HydrophobicContact CD1-CG2 4.02Å; Y164-V221 HydrophobicContact CE1-CG2 4.44Å; Y164-F223 HydrophobicContact CD1-CE1 4.12Å; Y164-F223 AromaticContact CD1-CZ 3.67Å; Y164-F223 HydrophobicContact CD1-CZ 3.67Å; Y164-F223 HydrophobicContact CD2-CZ 4.49Å; Y164-F223 HydrophobicContact CE1-CE1 4.4Å; Y164-F223 HydrophobicContact CE1-CE2 4.35Å; Y164-F223 AromaticContact CE1-CZ 3.51Å; Y164-F223 HydrophobicContact CE1-CZ 3.51Å; Y164-F223 HydrophobicContact CE2-CZ 4.35Å; Y164-F223 HydrophobicContact CG-CE1 4.33Å; Y164-F223 HydrophobicContact CG-CZ 4.16Å; Y164-F223 AromaticContact CZ-CZ 3.86Å
165P98Very high95.7Very high0 Ų022.2 Ų22.20%010%0.102CC..  trans-47.4124.2177.1-29.531.9000114.1A135 A140 I157 H201 Y207 V221A135-P165 HydrophobicContact CB-CG 4.33Å; A135-P165 WeakPolarHBondContact O-CA 3.13Å; A135-P165 WeakPolarHBondContact O-CB 3.48Å; A140-P165 HydrophobicContact CB-CB 3.96Å; I157-P165 HydrophobicContact CD1-CG 4.2Å; P165-H201 PolarHBondContact O-N 3.48Å; P165-Y207 WeakPolarHBondContact CD-OH 3.26Å; P165-V221 HydrophobicContact CG-CG2 4.5Å
166Y97.6Very high95.3Very high4 Ų422.4 Ų22.42%0.01610%0.103CC..BIsolated β-bridgetrans-128.3157.6-179.157.3-91.5000112.4D161 Y164 R168 L171 A199 F200 D280 V281D161-Y166 WeakPolarHBondContact OD2-CE1 3.33Å; D161-Y166 PolarHBondContact OD2-OH 3.4Å; Y164-Y166 VanDerWaalsContact O-CD1 3.26Å; Y164-Y166 WeakPolarHBondContact O-CD1 3.34Å; Y164-Y166 PolarHBondContact O-N 3.41Å; Y166-R168 HydrophobicContact CD2-CG 4.25Å; Y166-R168 HydrophobicContact CE2-CG 3.83Å; Y166-R168 PolarHBondContact OH-NH1 2.91Å; Y166-L171 HydrophobicContact CD2-CD1 4.21Å; Y166-L171 HydrophobicContact CE2-CD1 3.71Å; Y166-A199 CarbonylContact C-O 3.15Å; Y166-A199 WeakPolarHBondContact CA-O 3.2Å; Y166-F200 HydrophobicContact CD1-CE1 4.38Å; Y166-D280 WeakPolarHBondContact OH-CA 3.29Å; Y166-D280 VanDerWaalsContact OH-CB 3.23Å; Y166-D280 WeakPolarHBondContact OH-CB 3.3Å; Y166-V281 HydrophobicContact CD1-CG2 4.02Å; Y166-V281 HydrophobicContact CD2-CG2 4.09Å; Y166-V281 HydrophobicContact CE1-CG2 3.71Å; Y166-V281 HydrophobicContact CE2-CG2 3.75Å; Y166-V281 HydrophobicContact CG-CG2 4.25Å; Y166-V281 PolarHBondContact OH-N 2.78Å
167K95.8Very high94.6Very high55 Ų5523.4 Ų23.424%0.23911%0.107CC..  trans-73.6123.7167.6-59.3-175.8-178.7-153.60107.9E52 P170 A199 H201E52-K167 IonicContact OE1-NZ 2.84Å; E52-K167 PolarHBondContact OE1-NZ 2.79Å; K167-P170 HydrophobicContact CB-CG 4.13Å; K167-P170 WeakPolarHBondContact O-CD 3.34Å; K167-A199 WeakPolarHBondContact CB-O 3.44Å; K167-A199 PolarHBondContact N-O 3.32Å; K167-H201 VanDerWaalsContact CG-CE1 3.46Å; K167-H201 WeakPolarHBondContact CG-CE1 3.48Å
168R94.9Very high93.8Very high68 Ų6824.4 Ų24.426%0.25711%0.114SC..SBendtrans-74.6-35.4175.6-64.6-179.7-173.4-88.1-3.5114.4Y166 P170 L171 R279Y166-R168 HydrophobicContact CD2-CG 4.25Å; Y166-R168 HydrophobicContact CE2-CG 3.83Å; Y166-R168 PolarHBondContact OH-NH1 2.91Å; R168-P170 VanDerWaalsContact C-CD 3.48Å; R168-P170 VanDerWaalsContact C-N 3.32Å; R168-L171 VanDerWaalsContact O-CB 3.28Å; R168-L171 WeakPolarHBondContact O-CB 3.46Å; R168-L171 WeakPolarHBondContact O-CG 3.38Å; R168-L171 PolarHBondContact O-N 2.95Å; R168-R279 VanDerWaalsContact NH1-C 3.34Å; R168-R279 PolarHBondContact NH1-O 3.1Å
169P93.6Very high92.9Very high25 Ų2529 Ų2916%0.16215%0.146CC..G310 helixtrans-54.4-36-177.3-26.433.6000115.6V55 L171 S172 K173 H455V55-P169 HydrophobicContact CG1-CB 4.4Å; P169-L171 PolarHBondContact O-N 2.64Å; P169-S172 PolarHBondContact O-N 2.68Å; P169-K173 HydrophobicContact CB-CD 4.43Å; P169-K173 WeakPolarHBondContact O-CB 3.47Å; P169-K173 VanDerWaalsContact O-CG 3.31Å; P169-K173 WeakPolarHBondContact O-CG 3.31Å; P169-K173 PolarHBondContact O-N 3.26Å; P169-H455 HydrophobicContact CG-CB 3.89Å
170P93.5Very high92.4Very high1 Ų132 Ų321%0.00616%0.161CC..G310 helixtrans-55.5-33172.5-3137.2000115.7K167 R168 S172 K173 V174 L175 F189 A199K167-P170 HydrophobicContact CB-CG 4.13Å; K167-P170 WeakPolarHBondContact O-CD 3.34Å; R168-P170 VanDerWaalsContact C-CD 3.48Å; R168-P170 VanDerWaalsContact C-N 3.32Å; P170-S172 VanDerWaalsContact C-N 3.34Å; P170-S172 PolarHBondContact O-N 2.83Å; P170-K173 PolarHBondContact O-N 3.48Å; P170-V174 HydrophobicContact CB-CG2 3.65Å; P170-V174 HydrophobicContact CG-CG2 4.29Å; P170-V174 PolarHBondContact O-N 3.18Å; P170-L175 HydrophobicContact CB-CD1 4.27Å; P170-L175 HydrophobicContact CB-CG 4.48Å; P170-L175 WeakPolarHBondContact O-CB 3.34Å; P170-L175 PolarHBondContact O-N 3.02Å; P170-F189 HydrophobicContact CB-CD1 4.14Å; P170-F189 HydrophobicContact CB-CE1 3.64Å; P170-F189 HydrophobicContact CB-CZ 4.18Å; P170-F189 HydrophobicContact CG-CE1 3.75Å; P170-F189 HydrophobicContact CG-CZ 3.88Å; P170-A199 HydrophobicContact CB-CB 4.37Å
171L94.9Very high91.8Very high1 Ų129 Ų291%0.00515%0.145CC..G310 helixtrans-64-35.4-176.5-57-177.6000112.7Y166 R168 P169 L175 W176 L187 F278 V281 F284Y166-L171 HydrophobicContact CD2-CD1 4.21Å; Y166-L171 HydrophobicContact CE2-CD1 3.71Å; R168-L171 VanDerWaalsContact O-CB 3.28Å; R168-L171 WeakPolarHBondContact O-CB 3.46Å; R168-L171 WeakPolarHBondContact O-CG 3.38Å; R168-L171 PolarHBondContact O-N 2.95Å; P169-L171 PolarHBondContact O-N 2.64Å; L171-L175 HydrophobicContact CD2-CD1 3.69Å; L171-W176 VanDerWaalsContact O-CD1 3.26Å; L171-W176 PolarHBondContact O-NE1 2.91Å; L171-L187 HydrophobicContact CD2-CD2 3.89Å; L171-F278 HydrophobicContact CB-CE1 4.08Å; L171-F278 HydrophobicContact CB-CZ 4.23Å; L171-F278 WeakPolarHBondContact O-CZ 3.45Å; L171-V281 HydrophobicContact CD1-CG2 4.25Å; L171-V281 HydrophobicContact CD2-CG2 4.21Å; L171-F284 HydrophobicContact CB-CB 4.46Å; L171-F284 HydrophobicContact CB-CD2 4.43Å; L171-F284 HydrophobicContact CD2-CB 4.27Å; L171-F284 HydrophobicContact CD2-CD1 4.49Å; L171-F284 HydrophobicContact CD2-CG 4.2Å; L171-F284 WeakPolarHBondContact O-CD2 3.32Å
172S93.3Very high91.4Very high8 Ų833.8 Ų33.86%0.05617%0.167CC..G310 helixtrans-99.23178.660.90000113.7P169 P170 A312P169-S172 PolarHBondContact O-N 2.68Å; P170-S172 VanDerWaalsContact C-N 3.34Å; P170-S172 PolarHBondContact O-N 2.83Å; S172-A312 WeakPolarHBondContact O-CB 3.5Å
173K91.6Very high91Very high20 Ų2029.3 Ų29.39%0.08715%0.151CC..THydrogen-bonded Turntrans-129.8-102.6-171.6-61.4177.8-179.8-173.40111.9P169 P170 L175 W176 E308 G483P169-K173 HydrophobicContact CB-CD 4.43Å; P169-K173 WeakPolarHBondContact O-CB 3.47Å; P169-K173 VanDerWaalsContact O-CG 3.31Å; P169-K173 WeakPolarHBondContact O-CG 3.31Å; P169-K173 PolarHBondContact O-N 3.26Å; P170-K173 PolarHBondContact O-N 3.48Å; K173-L175 VanDerWaalsContact C-N 3.28Å; K173-L175 PolarHBondContact O-N 3.05Å; K173-W176 PolarHBondContact O-N 2.93Å; K173-W176 VanDerWaalsContact O-N 3.14Å; K173-E308 WeakPolarHBondContact CE-OE1 3.47Å; K173-E308 WeakPolarHBondContact CE-OE2 3.34Å; K173-E308 IonicContact NZ-OE1 3.33Å; K173-E308 PolarHBondContact NZ-OE1 3.48Å; K173-E308 IonicContact NZ-OE2 3.65Å; K173-G483 PolarHBondContact NZ-O 3.11Å
174V89.4Confident90.7Very high7 Ų729 Ų294%0.04215%0.15CC..G310 helixtrans-60.6-29.1-167.5-75.70000114.4P170 W176 W177 F189P170-V174 HydrophobicContact CB-CG2 3.65Å; P170-V174 HydrophobicContact CG-CG2 4.29Å; P170-V174 PolarHBondContact O-N 3.18Å; V174-W176 VanDerWaalsContact C-N 3.27Å; V174-W176 PolarHBondContact O-N 3.47Å; V174-W177 HydrophobicContact CB-CE3 4.01Å; V174-W177 HydrophobicContact CB-CZ3 4.17Å; V174-W177 HydrophobicContact CG1-CE3 3.54Å; V174-W177 HydrophobicContact CG1-CH2 4.13Å; V174-W177 HydrophobicContact CG1-CZ3 3.25Å; V174-W177 PolarHBondContact O-N 3.38Å; V174-F189 HydrophobicContact CB-CB 4.17Å; V174-F189 HydrophobicContact CB-CD2 3.82Å; V174-F189 HydrophobicContact CB-CE2 4.39Å; V174-F189 HydrophobicContact CB-CG 3.99Å; V174-F189 HydrophobicContact CG1-CD2 4.27Å; V174-F189 HydrophobicContact CG2-CB 4.17Å; V174-F189 HydrophobicContact CG2-CD1 3.84Å; V174-F189 HydrophobicContact CG2-CD2 3.51Å; V174-F189 HydrophobicContact CG2-CE1 4.07Å; V174-F189 HydrophobicContact CG2-CE2 3.74Å; V174-F189 HydrophobicContact CG2-CG 3.56Å; V174-F189 HydrophobicContact CG2-CZ 4.02Å
175L92Very high90.3Very high1 Ų128.5 Ų28.51%0.00515%0.149CC..G310 helixtrans-66.3-30.8179.5-76.2167.3000112.3P170 L171 K173 W177 I184 L187 R188 F189 F284P170-L175 HydrophobicContact CB-CD1 4.27Å; P170-L175 HydrophobicContact CB-CG 4.48Å; P170-L175 WeakPolarHBondContact O-CB 3.34Å; P170-L175 PolarHBondContact O-N 3.02Å; L171-L175 HydrophobicContact CD2-CD1 3.69Å; K173-L175 VanDerWaalsContact C-N 3.28Å; K173-L175 PolarHBondContact O-N 3.05Å; L175-W177 VanDerWaalsContact C-N 3.27Å; L175-W177 PolarHBondContact O-N 3.32Å; L175-I184 WeakPolarHBondContact O-CG1 3.34Å; L175-L187 HydrophobicContact CD1-CD2 4.03Å; L175-R188 WeakPolarHBondContact CD2-O 3.44Å; L175-F189 HydrophobicContact CD2-CB 4.24Å; L175-F189 HydrophobicContact CD2-CD1 4.23Å; L175-F189 HydrophobicContact CG-CD1 4.37Å; L175-F284 HydrophobicContact CB-CE2 3.94Å; L175-F284 HydrophobicContact CB-CZ 3.84Å; L175-F284 HydrophobicContact CD1-CE1 4.42Å; L175-F284 HydrophobicContact CD1-CE2 4.44Å; L175-F284 HydrophobicContact CD1-CZ 4.21Å
176W90.6Very high90Very high4 Ų431.5 Ų31.52%0.01516%0.163CC..G310 helixtrans-76.9-11.6177.1-64.495.8000113.8L171 K173 V174 F278 F284 L287 A288 A291 L309 A312 L313 H316L171-W176 VanDerWaalsContact O-CD1 3.26Å; L171-W176 PolarHBondContact O-NE1 2.91Å; K173-W176 PolarHBondContact O-N 2.93Å; K173-W176 VanDerWaalsContact O-N 3.14Å; V174-W176 VanDerWaalsContact C-N 3.27Å; V174-W176 PolarHBondContact O-N 3.47Å; W176-F278 HydrophobicContact CZ2-CE2 4.26Å; W176-F284 HydrophobicContact CD2-CE2 4.35Å; W176-F284 AromaticContact CE2-CE2 3.67Å; W176-F284 AromaticContact CZ2-CD2 3.87Å; W176-F284 HydrophobicContact CZ2-CD2 3.87Å; W176-F284 AromaticContact CZ2-CE2 3.77Å; W176-F284 HydrophobicContact CZ2-CE2 3.77Å; W176-F284 AromaticContact NE1-CD2 3.93Å; W176-F284 AromaticContact NE1-CE2 3.66Å; W176-L287 HydrophobicContact CH2-CB 4.15Å; W176-L287 HydrophobicContact CH2-CD2 4.07Å; W176-L287 HydrophobicContact CH2-CG 3.73Å; W176-L287 HydrophobicContact CZ2-CB 4.28Å; W176-L287 HydrophobicContact CZ2-CD2 3.83Å; W176-L287 HydrophobicContact CZ2-CG 3.98Å; W176-A288 HydrophobicContact CH2-CB 4.17Å; W176-A291 HydrophobicContact CH2-CB 4.49Å; W176-A291 HydrophobicContact CZ3-CB 4.01Å; W176-L309 HydrophobicContact CZ2-CD1 4.49Å; W176-A312 HydrophobicContact CB-CB 3.8Å; W176-A312 HydrophobicContact CG-CB 3.88Å; W176-L313 HydrophobicContact CD2-CD2 4.29Å; W176-L313 HydrophobicContact CE3-CD2 3.82Å; W176-L313 HydrophobicContact CH2-CD2 3.69Å; W176-L313 HydrophobicContact CZ2-CD2 4.17Å; W176-L313 HydrophobicContact CZ3-CD2 3.5Å; W176-L313 VanDerWaalsContact CZ3-CD2 3.5Å; W176-H316 HydrophobicContact CB-CB 4.28Å; W176-H316 HydrophobicContact CE3-CB 3.85Å; W176-H316 AromaticContact CE3-CD2 3.87Å; W176-H316 AromaticContact CE3-CG 3.66Å; W176-H316 AromaticContact CZ3-CD2 3.97Å; W176-H316 WeakPolarHBondContact O-CB 3.45Å; W176-H316 PolarHBondContact O-ND1 3.27Å
177W83.8Confident89.9Confident22 Ų2231.3 Ų31.38%0.08316%0.162CC..G310 helixtrans-87.7-12.4-178.5-59.5-20.2000113.5A58 P59 Y62 V174 L175A58-W177 HydrophobicContact CB-CD2 4.13Å; A58-W177 HydrophobicContact CB-CE3 3.76Å; A58-W177 HydrophobicContact CB-CH2 3.86Å; A58-W177 HydrophobicContact CB-CZ2 4.21Å; A58-W177 HydrophobicContact CB-CZ3 3.63Å; P59-W177 HydrophobicContact CG-CB 4.45Å; Y62-W177 HydrophobicContact CD2-CB 4.33Å; Y62-W177 HydrophobicContact CD2-CG 4.2Å; Y62-W177 HydrophobicContact CE2-CB 4.47Å; Y62-W177 AromaticContact CE2-CD1 3.52Å; Y62-W177 AromaticContact CE2-CG 4Å; Y62-W177 HydrophobicContact CE2-CG 4Å; Y62-W177 AromaticContact CE2-NE1 3.95Å; Y62-W177 AromaticContact CZ-CD1 3.89Å; Y62-W177 AromaticContact CZ-NE1 3.81Å; V174-W177 HydrophobicContact CB-CE3 4.01Å; V174-W177 HydrophobicContact CB-CZ3 4.17Å; V174-W177 HydrophobicContact CG1-CE3 3.54Å; V174-W177 HydrophobicContact CG1-CH2 4.13Å; V174-W177 HydrophobicContact CG1-CZ3 3.25Å; V174-W177 PolarHBondContact O-N 3.38Å; L175-W177 VanDerWaalsContact C-N 3.27Å; L175-W177 PolarHBondContact O-N 3.32Å
178S81.2Confident89.8Confident21 Ų2134.4 Ų34.415%0.14717%0.172CC..  trans-85.4151.9173.5-1690000110.4D180S178-D180 WeakPolarHBondContact OG-CB 3.06Å; S178-D180 PolarHBondContact OG-N 2.84Å; S178-D180 VanDerWaalsContact OG-N 3.11Å
179S80.3Confident89.6Confident98 Ų9831.6 Ų31.669%0.68516%0.161SC*.  trans-110.69.3166.160.60000111.5
180D86.3Confident89.5Confident64 Ų6435.5 Ų35.534%0.34218%0.176SC..  trans-94.494.5178.6-177.1-22.3000108S178 E182 M183 I184S178-D180 WeakPolarHBondContact OG-CB 3.06Å; S178-D180 PolarHBondContact OG-N 2.84Å; S178-D180 VanDerWaalsContact OG-N 3.11Å; D180-E182 VanDerWaalsContact C-N 3.28Å; D180-E182 PolarHBondContact O-N 2.82Å; D180-E182 PolarHBondContact OD1-N 3.24Å; D180-M183 HydrophobicContact CB-CB 3.94Å; D180-M183 HydrophobicContact CB-CE 4.19Å; D180-M183 PolarHBondContact O-N 3.04Å; D180-M183 PolarHBondContact OD1-N 2.76Å; D180-M183 WeakPolarHBondContact OD2-CE 3.39Å; D180-I184 VanDerWaalsContact O-CG1 3.26Å; D180-I184 WeakPolarHBondContact O-CG1 3.31Å; D180-I184 PolarHBondContact O-N 2.94Å
181D84.9Confident89.1Confident47 Ų4737.2 Ų37.225%0.25119%0.185SC..Hα-helixtrans-57-42.4-178.8-84.714000111.1F109 M183 I184 F185 R292F109-D181 HydrophobicContact CE2-CB 4.02Å; F109-D181 HydrophobicContact CZ-CB 3.64Å; D181-M183 VanDerWaalsContact C-N 3.34Å; D181-M183 PolarHBondContact O-N 2.83Å; D181-I184 PolarHBondContact O-N 2.91Å; D181-I184 VanDerWaalsContact O-N 3.13Å; D181-F185 HydrophobicContact CB-CD2 3.98Å; D181-F185 HydrophobicContact CB-CE2 3.83Å; D181-F185 WeakPolarHBondContact O-CB 3.33Å; D181-F185 WeakPolarHBondContact O-CD2 3.29Å; D181-F185 PolarHBondContact O-N 3.43Å; D181-R292 IonicContact OD2-CZ 2.74Å; D181-R292 IonicContact OD2-NH1 2.75Å; D181-R292 PolarHBondContact OD2-NH1 3.28Å
182E86.3Confident88.2Confident118 Ų11839.1 Ų39.155%0.55120%0.197SC*.Hα-helixtrans-60-45179.4177.9174.1-171.200111.2F109 D180 I184 Q186F109-E182 HydrophobicContact CZ-CB 4.37Å; D180-E182 VanDerWaalsContact C-N 3.28Å; D180-E182 PolarHBondContact O-N 2.82Å; D180-E182 PolarHBondContact OD1-N 3.24Å; E182-I184 PolarHBondContact O-N 3.26Å; E182-Q186 WeakPolarHBondContact O-CB 3.23Å; E182-Q186 VanDerWaalsContact O-CG 3.31Å; E182-Q186 WeakPolarHBondContact O-CG 3.29Å; E182-Q186 PolarHBondContact O-N 2.88Å
183M89.1Confident87.5Confident18 Ų1842.9 Ų42.99%0.08924%0.237CC..Hα-helixtrans-62.6-43.3175.2-168.9-162.4-56.500112D180 D181 Q186 L187 R188 F189 K190D180-M183 HydrophobicContact CB-CB 3.94Å; D180-M183 HydrophobicContact CB-CE 4.19Å; D180-M183 PolarHBondContact O-N 3.04Å; D180-M183 PolarHBondContact OD1-N 2.76Å; D180-M183 WeakPolarHBondContact OD2-CE 3.39Å; D181-M183 VanDerWaalsContact C-N 3.34Å; D181-M183 PolarHBondContact O-N 2.83Å; M183-Q186 PolarHBondContact O-N 2.89Å; M183-L187 PolarHBondContact O-N 2.9Å; M183-R188 HydrophobicContact CG-CB 3.63Å; M183-R188 VanDerWaalsContact CG-O 3.31Å; M183-R188 WeakPolarHBondContact CG-O 3.36Å; M183-R188 PolarHBondContact O-N 2.85Å; M183-F189 VanDerWaalsContact SD-CA 3.6Å; M183-K190 HydrophobicContact CE-CD 4.06Å; M183-K190 HydrophobicContact CE-CG 3.99Å; M183-K190 HydrophobicContact SD-CG 4.25Å
184I89Confident87.2Confident6 Ų644.4 Ų44.43%0.03126%0.258CS..Hα-helixtrans-64.8-46.4-178.9-69.5165.7000111.2L175 D180 D181 E182 Q186 L187 F284L175-I184 WeakPolarHBondContact O-CG1 3.34Å; D180-I184 VanDerWaalsContact O-CG1 3.26Å; D180-I184 WeakPolarHBondContact O-CG1 3.31Å; D180-I184 PolarHBondContact O-N 2.94Å; D181-I184 PolarHBondContact O-N 2.91Å; D181-I184 VanDerWaalsContact O-N 3.13Å; E182-I184 PolarHBondContact O-N 3.26Å; I184-Q186 PolarHBondContact O-N 3.22Å; I184-L187 WeakPolarHBondContact O-CA 3.21Å; I184-L187 PolarHBondContact O-N 3.37Å; I184-F284 HydrophobicContact CG2-CE1 3.75Å; I184-F284 HydrophobicContact CG2-CZ 3.48Å; I184-F284 VanDerWaalsContact CG2-CZ 3.48Å
185F89.8Confident87.2Confident11 Ų1150.7 Ų50.75%0.04829%0.285CS..Hα-helixtrans-70.9-12.8179.9-70.8-63000113.3F109 I114 I115 D181 F285 R292F109-F185 HydrophobicContact CE1-CD2 4.34Å; I114-F185 HydrophobicContact CB-CB 4.36Å; I114-F185 HydrophobicContact CG1-CB 4Å; I114-F185 HydrophobicContact CG1-CG 4.2Å; I114-F185 HydrophobicContact CG2-CB 4.31Å; I114-F185 HydrophobicContact CG2-CD1 4.43Å; I115-F185 WeakPolarHBondContact CG2-O 3.39Å; I115-F185 PolarHBondContact N-O 2.85Å; D181-F185 HydrophobicContact CB-CD2 3.98Å; D181-F185 HydrophobicContact CB-CE2 3.83Å; D181-F185 WeakPolarHBondContact O-CB 3.33Å; D181-F185 WeakPolarHBondContact O-CD2 3.29Å; D181-F185 PolarHBondContact O-N 3.43Å; F185-F285 AromaticContact CD1-CD1 3.65Å; F185-F285 HydrophobicContact CD1-CD1 3.65Å; F185-F285 AromaticContact CD1-CE1 3.5Å; F185-F285 HydrophobicContact CD1-CE1 3.5Å; F185-F285 HydrophobicContact CD1-CZ 4.43Å; F185-F285 AromaticContact CE1-CD1 3.75Å; F185-F285 HydrophobicContact CE1-CD1 3.75Å; F185-F285 HydrophobicContact CE1-CE1 4.06Å; F185-F285 HydrophobicContact CG-CE1 4.48Å; F185-R292 VanDerWaalsContact CE2-NH2 3.31Å
186Q92.7Very high87.2Confident63 Ų6353.7 Ų53.729%0.29430%0.303SS..THydrogen-bonded Turntrans-91.14166.2-70-68.2-26.900113.5S113 E182 M183 I184 R188S113-Q186 VanDerWaalsContact C-NE2 3.27Å; S113-Q186 WeakPolarHBondContact O-CG 3.39Å; S113-Q186 PolarHBondContact O-NE2 2.86Å; E182-Q186 WeakPolarHBondContact O-CB 3.23Å; E182-Q186 VanDerWaalsContact O-CG 3.31Å; E182-Q186 WeakPolarHBondContact O-CG 3.29Å; E182-Q186 PolarHBondContact O-N 2.88Å; M183-Q186 PolarHBondContact O-N 2.89Å; I184-Q186 PolarHBondContact O-N 3.22Å; Q186-R188 HydrophobicContact CB-CG 4.05Å; Q186-R188 PolarHBondContact O-N 3.39Å
187L94.7Very high87.3Confident0 Ų054.9 Ų54.90%031%0.314CS..THydrogen-bonded Turntrans55.139.1-174-58.5171.7000112.7I115 L171 L175 M183 I184 A199 F200 V281 F284 F285I115-L187 HydrophobicContact CG2-CD1 3.97Å; I115-L187 HydrophobicContact CG2-CG 4.03Å; L171-L187 HydrophobicContact CD2-CD2 3.89Å; L175-L187 HydrophobicContact CD1-CD2 4.03Å; M183-L187 PolarHBondContact O-N 2.9Å; I184-L187 WeakPolarHBondContact O-CA 3.21Å; I184-L187 PolarHBondContact O-N 3.37Å; L187-A199 HydrophobicContact CB-CB 4.08Å; L187-A199 PolarHBondContact O-N 3.29Å; L187-F200 HydrophobicContact CB-CE2 4.32Å; L187-F200 HydrophobicContact CD1-CE2 4.15Å; L187-F200 HydrophobicContact CD1-CZ 3.74Å; L187-V281 HydrophobicContact CD1-CB 4.47Å; L187-V281 HydrophobicContact CD1-CG1 3.9Å; L187-V281 HydrophobicContact CD1-CG2 3.64Å; L187-V281 HydrophobicContact CD2-CG1 4.4Å; L187-V281 HydrophobicContact CD2-CG2 4.41Å; L187-F284 HydrophobicContact CD2-CD1 4.01Å; L187-F284 HydrophobicContact CD2-CE1 4.13Å; L187-F285 HydrophobicContact CD2-CE1 4.29Å; L187-F285 HydrophobicContact CD2-CZ 4.03Å; L187-F285 HydrophobicContact CG-CZ 4.24Å
188R94.1Very high87.8Confident119 Ų11956 Ų5645%0.44933%0.328SS..EExtended strand (participates in β ladder)trans-111.4152.2177.7-61.817776-177.33.4110.3L175 M183 Q186 V196 A197 A198L175-R188 WeakPolarHBondContact CD2-O 3.44Å; M183-R188 HydrophobicContact CG-CB 3.63Å; M183-R188 VanDerWaalsContact CG-O 3.31Å; M183-R188 WeakPolarHBondContact CG-O 3.36Å; M183-R188 PolarHBondContact O-N 2.85Å; Q186-R188 HydrophobicContact CB-CG 4.05Å; Q186-R188 PolarHBondContact O-N 3.39Å; R188-V196 HydrophobicContact CB-CG1 3.88Å; R188-A197 CarbonylContact C-O 3.52Å; R188-A197 WeakPolarHBondContact CA-O 3.32Å; R188-A197 WeakPolarHBondContact CB-O 3.27Å; R188-A198 HydrophobicContact CG-CB 4.33Å
189F91.6Very high88.5Confident9 Ų955 Ų554%0.03932%0.321CS..EExtended strand (participates in β ladder)trans-150.915518055-88.2000111.1P170 V174 L175 M183 I191 V196 A197P170-F189 HydrophobicContact CB-CD1 4.14Å; P170-F189 HydrophobicContact CB-CE1 3.64Å; P170-F189 HydrophobicContact CB-CZ 4.18Å; P170-F189 HydrophobicContact CG-CE1 3.75Å; P170-F189 HydrophobicContact CG-CZ 3.88Å; V174-F189 HydrophobicContact CB-CB 4.17Å; V174-F189 HydrophobicContact CB-CD2 3.82Å; V174-F189 HydrophobicContact CB-CE2 4.39Å; V174-F189 HydrophobicContact CB-CG 3.99Å; V174-F189 HydrophobicContact CG1-CD2 4.27Å; V174-F189 HydrophobicContact CG2-CB 4.17Å; V174-F189 HydrophobicContact CG2-CD1 3.84Å; V174-F189 HydrophobicContact CG2-CD2 3.51Å; V174-F189 HydrophobicContact CG2-CE1 4.07Å; V174-F189 HydrophobicContact CG2-CE2 3.74Å; V174-F189 HydrophobicContact CG2-CG 3.56Å; V174-F189 HydrophobicContact CG2-CZ 4.02Å; L175-F189 HydrophobicContact CD2-CB 4.24Å; L175-F189 HydrophobicContact CD2-CD1 4.23Å; L175-F189 HydrophobicContact CG-CD1 4.37Å; M183-F189 VanDerWaalsContact SD-CA 3.6Å; F189-I191 HydrophobicContact CD2-CG2 3.98Å; F189-I191 HydrophobicContact CE2-CG2 3.66Å; F189-V196 WeakPolarHBondContact O-CA 3.26Å; F189-A197 HydrophobicContact CD2-CB 4.29Å; F189-A197 HydrophobicContact CE1-CB 4.42Å; F189-A197 HydrophobicContact CE2-CB 3.79Å; F189-A197 HydrophobicContact CZ-CB 3.86Å; F189-A197 PolarHBondContact N-O 2.84Å; F189-A197 PolarHBondContact O-N 2.86Å
190K89.5Confident89.3Confident107 Ų10752.1 Ų52.147%0.46530%0.296SS..EExtended strand (participates in β ladder)trans-83.4126.2174.8-75.9169.7174.4159.80110.2M183 K195 V196M183-K190 HydrophobicContact CE-CD 4.06Å; M183-K190 HydrophobicContact CE-CG 3.99Å; M183-K190 HydrophobicContact SD-CG 4.25Å; K190-K195 WeakPolarHBondContact CA-O 3.32Å; K190-V196 HydrophobicContact CG-CG2 4.26Å
191I85.1Confident89.7Confident37 Ų3751.7 Ų51.719%0.1929%0.292CS..PPolyproline II helixtrans-89.3163169.558.5166.7000110.6F189 G193 G194 K195 A197F189-I191 HydrophobicContact CD2-CG2 3.98Å; F189-I191 HydrophobicContact CE2-CG2 3.66Å; I191-G193 PolarHBondContact O-N 3.48Å; I191-G194 PolarHBondContact O-N 3.4Å; I191-K195 HydrophobicContact CD1-CB 3.94Å; I191-K195 HydrophobicContact CG1-CB 3.76Å; I191-K195 WeakPolarHBondContact CG1-O 3.42Å; I191-K195 PolarHBondContact N-O 3.02Å; I191-A197 HydrophobicContact CG2-CB 3.88Å
192P76.1Confident90.3Very high42 Ų4251.3 Ų51.327%0.27329%0.287SS..THydrogen-bonded Turntrans-47.9135.2169.7-25.332.6000111.9L57L57-P192 HydrophobicContact CB-CB 4.49Å; L57-P192 HydrophobicContact CB-CG 3.27Å; L57-P192 HydrophobicContact CD1-CB 4.31Å; L57-P192 HydrophobicContact CD1-CG 3.76Å; L57-P192 HydrophobicContact CG-CG 4.15Å
193G80.4Confident90.6Very high87 Ų8749.7 Ų49.790%0.89729%0.287SS*.THydrogen-bonded Turntrans90.7-5-172.100000114.7I191I191-G193 PolarHBondContact O-N 3.48Å
194G83.8Confident90.9Very high51 Ų5153.3 Ų53.353%0.52630%0.303SS..SBendtrans87.9-0.3168.800000115.4I191I191-G194 PolarHBondContact O-N 3.4Å
195K89.9Confident91.2Very high140 Ų14059.3 Ų59.361%0.60934%0.341SS*.PPolyproline II helixtrans-65.8149.8171.6-66.6179.6-178.9177.50110.3K190 I191K190-K195 WeakPolarHBondContact CA-O 3.32Å; I191-K195 HydrophobicContact CD1-CB 3.94Å; I191-K195 HydrophobicContact CG1-CB 3.76Å; I191-K195 WeakPolarHBondContact CG1-O 3.42Å; I191-K195 PolarHBondContact N-O 3.02Å
196V91.4Very high91.5Very high63 Ų6360.5 Ų60.538%0.38236%0.356SS..EExtended strand (participates in β ladder)trans-99.5122.9175.8-179.50000108.9R188 F189 K190R188-V196 HydrophobicContact CB-CG1 3.88Å; F189-V196 WeakPolarHBondContact O-CA 3.26Å; K190-V196 HydrophobicContact CG-CG2 4.26Å
197A92.9Very high91.7Very high29 Ų2958.4 Ų58.424%0.2435%0.345CS..EExtended strand (participates in β ladder)trans-103.3162.2171.900000110.3R188 F189 I191R188-A197 CarbonylContact C-O 3.52Å; R188-A197 WeakPolarHBondContact CA-O 3.32Å; R188-A197 WeakPolarHBondContact CB-O 3.27Å; F189-A197 HydrophobicContact CD2-CB 4.29Å; F189-A197 HydrophobicContact CE1-CB 4.42Å; F189-A197 HydrophobicContact CE2-CB 3.79Å; F189-A197 HydrophobicContact CZ-CB 3.86Å; F189-A197 PolarHBondContact N-O 2.84Å; F189-A197 PolarHBondContact O-N 2.86Å; I191-A197 HydrophobicContact CG2-CB 3.88Å
198A94.1Very high91.8Very high45 Ų4559.2 Ų59.237%0.37235%0.351SS..EExtended strand (participates in β ladder)trans-111.6153.2170.100000109.5R188 F200R188-A198 HydrophobicContact CG-CB 4.33Å; A198-F200 HydrophobicContact CB-CD2 4.42Å; A198-F200 PolarHBondContact O-N 2.92Å
199A95.7Very high91.9Very high0 Ų058.8 Ų58.80%035%0.354CS..SBendtrans-68-23.1173.600000112.5Y166 K167 P170 L187Y166-A199 CarbonylContact C-O 3.15Å; Y166-A199 WeakPolarHBondContact CA-O 3.2Å; K167-A199 WeakPolarHBondContact CB-O 3.44Å; K167-A199 PolarHBondContact N-O 3.32Å; P170-A199 HydrophobicContact CB-CB 4.37Å; L187-A199 HydrophobicContact CB-CB 4.08Å; L187-A199 PolarHBondContact O-N 3.29Å
200F97Very high92.1Very high38 Ų3858.9 Ų58.917%0.16736%0.355CS..BIsolated β-bridgetrans-66.9143.7-178.4-62.4-70.1000113.6I115 Y164 Y166 L187 A198 R202I115-F200 HydrophobicContact CD1-CE2 3.32Å; I115-F200 HydrophobicContact CD1-CZ 3.29Å; Y164-F200 WeakPolarHBondContact O-CD1 3.15Å; Y164-F200 WeakPolarHBondContact O-CE1 3.34Å; Y166-F200 HydrophobicContact CD1-CE1 4.38Å; L187-F200 HydrophobicContact CB-CE2 4.32Å; L187-F200 HydrophobicContact CD1-CE2 4.15Å; L187-F200 HydrophobicContact CD1-CZ 3.74Å; A198-F200 HydrophobicContact CB-CD2 4.42Å; A198-F200 PolarHBondContact O-N 2.92Å; F200-R202 VanDerWaalsContact C-N 3.32Å; F200-R202 PolarHBondContact O-N 3.44Å
201H96.5Very high92.4Very high55 Ų5557.5 Ų57.526%0.25536%0.357SS..SBendtrans-70.1-27.3178-78.9-72.6000113.6T137 A140 P165 K167T137-H201 WeakPolarHBondContact CA-NE2 3.34Å; T137-H201 PolarHBondContact OG1-NE2 3.11Å; A140-H201 HydrophobicContact CB-CB 3.85Å; P165-H201 PolarHBondContact O-N 3.48Å; K167-H201 VanDerWaalsContact CG-CE1 3.46Å; K167-H201 WeakPolarHBondContact CG-CE1 3.48Å
202R95.6Very high92.9Very high39 Ų3958.9 Ų58.915%0.14736%0.363CS..SBendtrans-152.3155174.969-17576.5-173.9-4.5109.5A140 Q147 F200 Y207A140-R202 PolarHBondContact O-NH2 3.04Å; Q147-R202 VanDerWaalsContact OE1-NH1 3.13Å; F200-R202 VanDerWaalsContact C-N 3.32Å; F200-R202 PolarHBondContact O-N 3.44Å; R202-Y207 HydrophobicContact CG-CD2 3.94Å; R202-Y207 HydrophobicContact CG-CE1 4.11Å; R202-Y207 HydrophobicContact CG-CE2 3.18Å; R202-Y207 WeakPolarHBondContact CG-OH 3.46Å
203P94.4Very high93.8Very high84 Ų8457 Ų5755%0.54535%0.35SS..  trans-63.1159.2174.928.4-36.1000111.2T205 G206P203-T205 PolarHBondContact O-N 3.32Å; P203-G206 WeakPolarHBondContact O-CA 3.34Å; P203-G206 PolarHBondContact O-N 2.63Å
204E94.7Very high94.3Very high95 Ų9558.8 Ų58.844%0.44434%0.335SS..G310 helixtrans-55.4-36.7176.8170.5150.2-150.300112.4K118 Y164 G206 Y207K118-E204 IonicContact NZ-OE1 3.27Å; K118-E204 PolarHBondContact NZ-OE1 3.33Å; K118-E204 IonicContact NZ-OE2 3.04Å; K118-E204 PolarHBondContact NZ-OE2 3.22Å; Y164-E204 HydrophobicContact CD2-CB 4.5Å; Y164-E204 HydrophobicContact CE2-CB 3.88Å; Y164-E204 VanDerWaalsContact CE2-CD 3.42Å; Y164-E204 HydrophobicContact CE2-CG 3.68Å; Y164-E204 WeakPolarHBondContact CE2-OE1 3.11Å; Y164-E204 WeakPolarHBondContact OH-CG 3.49Å; Y164-E204 PolarHBondContact OH-OE1 3.09Å; E204-G206 PolarHBondContact O-N 3.26Å; E204-G206 VanDerWaalsContact O-N 3.09Å; E204-Y207 PolarHBondContact O-N 2.87Å
205T95.2Very high94.8Very high132 Ų13264.4 Ų64.481%0.8135%0.348SS*.G310 helixtrans-64.1-12.8175.353.50000114.3P203 Y207P203-T205 PolarHBondContact O-N 3.32Å; T205-Y207 VanDerWaalsContact C-N 3.27Å
206G95.6Very high95Very high36 Ų3662 Ų6237%0.37134%0.337SS..G310 helixtrans-83.94173.400000114.3P203 E204P203-G206 WeakPolarHBondContact O-CA 3.34Å; P203-G206 PolarHBondContact O-N 2.63Å; E204-G206 PolarHBondContact O-N 3.26Å; E204-G206 VanDerWaalsContact O-N 3.09Å
207Y97.6Very high95.3Very high19 Ų1961.7 Ų61.78%0.07534%0.337CS..SBendtrans-119.7143.1174.8-61.2-82.3000110.9Y164 P165 R202 E204 T205 V219 V221Y164-Y207 HydrophobicContact CD1-CD1 4.31Å; Y164-Y207 AromaticContact CD1-CD2 3.31Å; Y164-Y207 HydrophobicContact CD1-CD2 3.31Å; Y164-Y207 HydrophobicContact CD1-CE1 4.36Å; Y164-Y207 AromaticContact CD1-CE2 3.34Å; Y164-Y207 HydrophobicContact CD1-CE2 3.34Å; Y164-Y207 AromaticContact CD1-CG 3.8Å; Y164-Y207 HydrophobicContact CD1-CG 3.8Å; Y164-Y207 AromaticContact CD1-CZ 3.9Å; Y164-Y207 HydrophobicContact CE1-CD1 4.44Å; Y164-Y207 AromaticContact CE1-CD2 3.42Å; Y164-Y207 HydrophobicContact CE1-CD2 3.42Å; Y164-Y207 VanDerWaalsContact CE1-CD2 3.42Å; Y164-Y207 AromaticContact CE1-CE2 3.99Å; Y164-Y207 HydrophobicContact CE1-CE2 3.99Å; Y164-Y207 AromaticContact CE1-CG 3.67Å; Y164-Y207 HydrophobicContact CE1-CG 3.67Å; Y164-Y207 HydrophobicContact CG-CD2 4.08Å; Y164-Y207 AromaticContact CG-CE2 3.83Å; Y164-Y207 HydrophobicContact CG-CE2 3.83Å; P165-Y207 WeakPolarHBondContact CD-OH 3.26Å; R202-Y207 HydrophobicContact CG-CD2 3.94Å; R202-Y207 HydrophobicContact CG-CE1 4.11Å; R202-Y207 HydrophobicContact CG-CE2 3.18Å; R202-Y207 WeakPolarHBondContact CG-OH 3.46Å; E204-Y207 PolarHBondContact O-N 2.87Å; T205-Y207 VanDerWaalsContact C-N 3.27Å; Y207-V219 CarbonylContact C-O 3.58Å; Y207-V219 VanDerWaalsContact CA-O 3.24Å; Y207-V219 WeakPolarHBondContact CA-O 3.45Å; Y207-V219 HydrophobicContact CD1-CB 4.25Å; Y207-V219 HydrophobicContact CD1-CG1 3.99Å; Y207-V219 HydrophobicContact CE1-CG1 4.05Å; Y207-V221 HydrophobicContact CD1-CG2 3.72Å; Y207-V221 HydrophobicContact CE1-CG2 3.63Å; Y207-V221 HydrophobicContact CG-CG2 4.47Å
208C96.4Very high95.5Very high16 Ų1661 Ų6111%0.10833%0.332CS..  trans-90.3161.2166.957.60000110.6E212 L213 V219 A220C208-E212 WeakPolarHBondContact CA-OE2 3.46Å; C208-E212 HydrophobicContact CB-CB 4.32Å; C208-E212 WeakPolarHBondContact CB-OE2 3.33Å; C208-L213 VanDerWaalsContact SG-CD2 3.59Å; C208-V219 PolarHBondContact N-O 2.96Å; C208-V219 PolarHBondContact SG-O 2.84Å; C208-V219 VanDerWaalsContact SG-O 3.34Å; C208-A220 WeakPolarHBondContact O-CA 3.45Å; C208-A220 VanDerWaalsContact O-CB 3.32Å; C208-A220 WeakPolarHBondContact O-CB 3.46Å
209Q96.2Very high95.7Very high111 Ų11158.9 Ų58.952%0.51932%0.315SS..  trans-71.2149.1170.8-61-60.4-46.900110E212Q209-E212 HydrophobicContact CB-CG 4.05Å; Q209-E212 PolarHBondContact N-OE2 3.45Å; Q209-E212 VanDerWaalsContact O-CB 3.3Å; Q209-E212 WeakPolarHBondContact O-CB 3.39Å; Q209-E212 PolarHBondContact O-N 3.02Å
210V96.9Very high95.8Very high11 Ų1158.9 Ų58.97%0.06732%0.315CS..G310 helixtrans-53.6-46.1-176.7175.20000113.3L124 L156 E212 L213 A220 V221L124-V210 HydrophobicContact CD2-CG1 3.89Å; L156-V210 HydrophobicContact CD1-CG1 4.21Å; L156-V210 HydrophobicContact CD1-CG2 4.13Å; V210-E212 PolarHBondContact O-N 2.92Å; V210-L213 WeakPolarHBondContact O-CB 3.29Å; V210-L213 PolarHBondContact O-N 2.95Å; V210-A220 HydrophobicContact CB-CB 4.38Å; V210-A220 HydrophobicContact CG2-CB 3.86Å; V210-V221 WeakPolarHBondContact CG2-O 3.46Å
211P94.7Very high95.9Very high78 Ų7857.3 Ų57.351%0.50631%0.308SS..G310 helixtrans-63.9-22.1179.2-23.535.8000114.1L213P211-L213 VanDerWaalsContact C-N 3.27Å; P211-L213 PolarHBondContact O-N 3.16Å
212E95.2Very high96Very high65 Ų6554.7 Ų54.730%0.30430%0.296SS..G310 helixtrans-72.5-22-179.2-63.3-177.7140.700112.9C208 Q209 V210 E214 Q215 K216C208-E212 WeakPolarHBondContact CA-OE2 3.46Å; C208-E212 HydrophobicContact CB-CB 4.32Å; C208-E212 WeakPolarHBondContact CB-OE2 3.33Å; Q209-E212 HydrophobicContact CB-CG 4.05Å; Q209-E212 PolarHBondContact N-OE2 3.45Å; Q209-E212 VanDerWaalsContact O-CB 3.3Å; Q209-E212 WeakPolarHBondContact O-CB 3.39Å; Q209-E212 PolarHBondContact O-N 3.02Å; V210-E212 PolarHBondContact O-N 2.92Å; E212-E214 PolarHBondContact O-N 3.29Å; E212-Q215 PolarHBondContact O-N 2.86Å; E212-K216 VanDerWaalsContact CB-CE 3.42Å; E212-K216 HydrophobicContact CB-CG 4.27Å; E212-K216 WeakPolarHBondContact O-CG 3.49Å; E212-K216 PolarHBondContact O-N 3.32Å; E212-K216 IonicContact OE1-NZ 3.48Å; E212-K216 PolarHBondContact OE1-NZ 2.91Å; E212-K216 WeakPolarHBondContact OE2-CE 3.07Å; E212-K216 IonicContact OE2-NZ 2.68Å; E212-K216 PolarHBondContact OE2-NZ 2.89Å
213L95.5Very high96.1Very high3 Ų353.6 Ų53.62%0.01629%0.293CS..G310 helixtrans-61.2-24.9179.2-75.8175.7000112.7I128 K154 L156 C208 V210 P211 Q215 G218 A220I128-L213 HydrophobicContact CD1-CB 4.33Å; I128-L213 HydrophobicContact CD1-CD1 3.94Å; K154-L213 HydrophobicContact CB-CD2 4.28Å; K154-L213 WeakPolarHBondContact CD-O 3.27Å; K154-L213 WeakPolarHBondContact CE-O 3.28Å; K154-L213 PolarHBondContact NZ-O 2.85Å; L156-L213 HydrophobicContact CB-CD1 4.1Å; L156-L213 HydrophobicContact CD1-CD1 4.04Å; C208-L213 VanDerWaalsContact SG-CD2 3.59Å; V210-L213 WeakPolarHBondContact O-CB 3.29Å; V210-L213 PolarHBondContact O-N 2.95Å; P211-L213 VanDerWaalsContact C-N 3.27Å; P211-L213 PolarHBondContact O-N 3.16Å; L213-Q215 PolarHBondContact O-N 3.42Å; L213-G218 VanDerWaalsContact CD2-O 3.3Å; L213-G218 WeakPolarHBondContact CD2-O 3.09Å; L213-A220 HydrophobicContact CD1-CB 3.43Å; L213-A220 VanDerWaalsContact CD1-CB 3.43Å; L213-A220 HydrophobicContact CD2-CB 4.46Å; L213-A220 HydrophobicContact CG-CB 3.84Å
214E91.9Very high96.3Very high125 Ų12550.4 Ų50.458%0.58428%0.275SS*.G310 helixtrans-65.2-32.5175.1-65.2-171166.900111.4P125 K154 E212P125-E214 HydrophobicContact CB-CG 4.44Å; K154-E214 PolarHBondContact NZ-O 3.07Å; E212-E214 PolarHBondContact O-N 3.29Å
215Q92.4Very high96.4Very high168 Ų16847 Ų4779%0.78526%0.258SS*.THydrogen-bonded Turntrans-103.8-33-168.9-61.2170.218.700113.3E212 L213E212-Q215 PolarHBondContact O-N 2.86Å; L213-Q215 PolarHBondContact O-N 3.42Å
216K95.3Very high96.6Very high89 Ų8947.5 Ų47.539%0.38725%0.245SC..SBendtrans-135.6154.6-176.159.7171172.6178.20112.6E212E212-K216 VanDerWaalsContact CB-CE 3.42Å; E212-K216 HydrophobicContact CB-CG 4.27Å; E212-K216 WeakPolarHBondContact O-CG 3.49Å; E212-K216 PolarHBondContact O-N 3.32Å; E212-K216 IonicContact OE1-NZ 3.48Å; E212-K216 PolarHBondContact OE1-NZ 2.91Å; E212-K216 WeakPolarHBondContact OE2-CE 3.07Å; E212-K216 IonicContact OE2-NZ 2.68Å; E212-K216 PolarHBondContact OE2-NZ 2.89Å
217P97.1Very high96.7Very high58 Ų5846.4 Ų46.438%0.37723%0.23SC..  trans-61.8157.1167.929.8-37.8000111.2D152D152-P217 VanDerWaalsContact C-CB 3.48Å; D152-P217 HydrophobicContact CB-CB 4.49Å; D152-P217 WeakPolarHBondContact O-CB 3.32Å
218G97.8Very high96.8Very high13 Ų1348.3 Ų48.313%0.13424%0.241CC..EExtended strand (participates in β ladder)trans153.1-177.3179.500000113.9A153 I155 L213A153-G218 PolarHBondContact O-N 2.93Å; I155-G218 PolarHBondContact N-O 2.94Å; L213-G218 VanDerWaalsContact CD2-O 3.3Å; L213-G218 WeakPolarHBondContact CD2-O 3.09Å
219V98.5Very high96.9Very high2 Ų251.4 Ų51.41%0.01225%0.254CS..EExtended strand (participates in β ladder)trans-119.4121.1176.3-172.20000108.4A143 Q147 I155 I157 Y207 C208A143-V219 HydrophobicContact CB-CG1 4.18Å; A143-V219 HydrophobicContact CB-CG2 4.4Å; Q147-V219 VanDerWaalsContact CD-CG2 3.43Å; Q147-V219 HydrophobicContact CG-CG2 4.21Å; Q147-V219 VanDerWaalsContact OE1-CG2 3.31Å; I155-V219 HydrophobicContact CB-CG1 4.39Å; I155-V219 HydrophobicContact CB-CG2 4.17Å; I155-V219 HydrophobicContact CD1-CG2 4.06Å; I155-V219 HydrophobicContact CG1-CG2 4.45Å; I155-V219 HydrophobicContact CG2-CG1 4.46Å; I155-V219 WeakPolarHBondContact O-CA 3.35Å; I157-V219 HydrophobicContact CD1-CG1 3.87Å; I157-V219 HydrophobicContact CG1-CG1 4.22Å; Y207-V219 CarbonylContact C-O 3.58Å; Y207-V219 VanDerWaalsContact CA-O 3.24Å; Y207-V219 WeakPolarHBondContact CA-O 3.45Å; Y207-V219 HydrophobicContact CD1-CB 4.25Å; Y207-V219 HydrophobicContact CD1-CG1 3.99Å; Y207-V219 HydrophobicContact CE1-CG1 4.05Å; C208-V219 PolarHBondContact N-O 2.96Å; C208-V219 PolarHBondContact SG-O 2.84Å; C208-V219 VanDerWaalsContact SG-O 3.34Å
220A98.3Very high97Very high0 Ų046.2 Ų46.20%023%0.23CC..EExtended strand (participates in β ladder)trans-115.5158.9170.700000111I155 L156 I157 C208 V210 L213I155-A220 PolarHBondContact O-N 3.2Å; L156-A220 HydrophobicContact CD1-CB 4.28Å; I157-A220 PolarHBondContact N-O 3.39Å; C208-A220 WeakPolarHBondContact O-CA 3.45Å; C208-A220 VanDerWaalsContact O-CB 3.32Å; C208-A220 WeakPolarHBondContact O-CB 3.46Å; V210-A220 HydrophobicContact CB-CB 4.38Å; V210-A220 HydrophobicContact CG2-CB 3.86Å; L213-A220 HydrophobicContact CD1-CB 3.43Å; L213-A220 VanDerWaalsContact CD1-CB 3.43Å; L213-A220 HydrophobicContact CD2-CB 4.46Å; L213-A220 HydrophobicContact CG-CB 3.84Å
221V98.5Very high97.1Very high5 Ų548.3 Ų48.33%0.0324%0.241CC..EExtended strand (participates in β ladder)trans-120.8125.2176.2-172.90000108.9I157 Y164 P165 Y207 V210 F223I157-V221 HydrophobicContact CB-CG2 4.29Å; I157-V221 HydrophobicContact CD1-CG2 4.48Å; I157-V221 CarbonylContact O-C 3.47Å; I157-V221 VanDerWaalsContact O-CA 3.31Å; I157-V221 WeakPolarHBondContact O-CA 3.36Å; Y164-V221 HydrophobicContact CD1-CG2 4.02Å; Y164-V221 HydrophobicContact CE1-CG2 4.44Å; P165-V221 HydrophobicContact CG-CG2 4.5Å; Y207-V221 HydrophobicContact CD1-CG2 3.72Å; Y207-V221 HydrophobicContact CE1-CG2 3.63Å; Y207-V221 HydrophobicContact CG-CG2 4.47Å; V210-V221 WeakPolarHBondContact CG2-O 3.46Å; V221-F223 HydrophobicContact CB-CD1 4.5Å; V221-F223 HydrophobicContact CB-CE1 3.9Å; V221-F223 HydrophobicContact CB-CE2 4.19Å; V221-F223 HydrophobicContact CB-CZ 3.73Å; V221-F223 HydrophobicContact CG1-CD1 3.8Å; V221-F223 HydrophobicContact CG1-CE1 3.53Å; V221-F223 HydrophobicContact CG1-CE2 4.49Å; V221-F223 HydrophobicContact CG1-CG 4.4Å; V221-F223 HydrophobicContact CG1-CZ 3.92Å; V221-F223 WeakPolarHBondContact O-CE2 3.33Å
222A98.3Very high97.2Very high0 Ų047 Ų470%023%0.229CC..EExtended strand (participates in β ladder)trans-91.9108.1167.400000109.1S121 L124 L156 I157 V158 G159 R225S121-A222 WeakPolarHBondContact OG-CA 3.48Å; L124-A222 HydrophobicContact CD1-CB 4.28Å; L124-A222 HydrophobicContact CD2-CB 3.62Å; L156-A222 HydrophobicContact CD1-CB 4.22Å; I157-A222 PolarHBondContact O-N 3.41Å; V158-A222 HydrophobicContact CG1-CB 4.36Å; V158-A222 HydrophobicContact CG2-CB 4.16Å; G159-A222 PolarHBondContact N-O 3.48Å; G159-A222 VanDerWaalsContact N-O 3.08Å; A222-R225 HydrophobicContact CB-CG 4.33Å
223F98Very high97.3Very high16 Ų1651.7 Ų51.77%0.0726%0.256CS..EExtended strand (participates in β ladder)trans-86.5142.5-174.2-59-75000112.5K118 V120 S121 G159 Y164 V221 R225K118-F223 HydrophobicContact CB-CB 4.29Å; K118-F223 HydrophobicContact CB-CD1 4.09Å; K118-F223 HydrophobicContact CB-CD2 3.72Å; K118-F223 HydrophobicContact CB-CE1 4.34Å; K118-F223 HydrophobicContact CB-CE2 3.99Å; K118-F223 HydrophobicContact CB-CG 3.76Å; K118-F223 HydrophobicContact CB-CZ 4.29Å; K118-F223 HydrophobicContact CG-CD1 4.31Å; K118-F223 HydrophobicContact CG-CD2 4.21Å; K118-F223 HydrophobicContact CG-CE1 4.07Å; K118-F223 HydrophobicContact CG-CE2 3.97Å; K118-F223 HydrophobicContact CG-CG 4.37Å; K118-F223 HydrophobicContact CG-CZ 3.88Å; V120-F223 WeakPolarHBondContact CA-O 3.41Å; S121-F223 PolarHBondContact N-O 3.44Å; S121-F223 PolarHBondContact OG-N 3.42Å; G159-F223 CarbonylContact O-C 3.59Å; Y164-F223 HydrophobicContact CD1-CE1 4.12Å; Y164-F223 AromaticContact CD1-CZ 3.67Å; Y164-F223 HydrophobicContact CD1-CZ 3.67Å; Y164-F223 HydrophobicContact CD2-CZ 4.49Å; Y164-F223 HydrophobicContact CE1-CE1 4.4Å; Y164-F223 HydrophobicContact CE1-CE2 4.35Å; Y164-F223 AromaticContact CE1-CZ 3.51Å; Y164-F223 HydrophobicContact CE1-CZ 3.51Å; Y164-F223 HydrophobicContact CE2-CZ 4.35Å; Y164-F223 HydrophobicContact CG-CE1 4.33Å; Y164-F223 HydrophobicContact CG-CZ 4.16Å; Y164-F223 AromaticContact CZ-CZ 3.86Å; V221-F223 HydrophobicContact CB-CD1 4.5Å; V221-F223 HydrophobicContact CB-CE1 3.9Å; V221-F223 HydrophobicContact CB-CE2 4.19Å; V221-F223 HydrophobicContact CB-CZ 3.73Å; V221-F223 HydrophobicContact CG1-CD1 3.8Å; V221-F223 HydrophobicContact CG1-CE1 3.53Å; V221-F223 HydrophobicContact CG1-CE2 4.49Å; V221-F223 HydrophobicContact CG1-CG 4.4Å; V221-F223 HydrophobicContact CG1-CZ 3.92Å; V221-F223 WeakPolarHBondContact O-CE2 3.33Å; F223-R225 VanDerWaalsContact C-N 3.27Å; F223-R225 WeakPolarHBondContact O-CG 3.33Å; F223-R225 PolarHBondContact O-N 2.97Å
224G97.8Very high97.5Very high17 Ų1753.3 Ų53.318%0.17527%0.27CS..THydrogen-bonded Turntrans64.229.3175.700000114.1G159 D160 D161G159-G224 PolarHBondContact O-N 3.24Å; D160-G224 WeakPolarHBondContact O-CA 3.45Å; D161-G224 PolarHBondContact O-N 3.23Å; D161-G224 VanDerWaalsContact O-N 3.15Å
225R98.1Very high97.8Very high24 Ų2449.6 Ų49.69%0.09125%0.252CS..  trans-123.9140.7-177.9-54.4-60.8-78138.417110.5S121 L124 V158 G159 D160 A222 F223 L239 D240 D241S121-R225 WeakPolarHBondContact O-CD 3.32Å; S121-R225 PolarHBondContact O-NE 3.06Å; L124-R225 HydrophobicContact CD1-CG 4.39Å; V158-R225 HydrophobicContact CG1-CB 3.79Å; G159-R225 CarbonylContact C-O 3.41Å; G159-R225 PolarHBondContact O-N 3.43Å; G159-R225 VanDerWaalsContact O-O 3.08Å; D160-R225 PolarHBondContact N-O 2.95Å; A222-R225 HydrophobicContact CB-CG 4.33Å; F223-R225 VanDerWaalsContact C-N 3.27Å; F223-R225 WeakPolarHBondContact O-CG 3.33Å; F223-R225 PolarHBondContact O-N 2.97Å; R225-L239 HydrophobicContact CB-CD2 4.42Å; R225-D240 IonicContact CZ-OD1 3.34Å; R225-D240 IonicContact NE-OD1 2.79Å; R225-D240 IonicContact NH1-OD1 2.9Å; R225-D240 PolarHBondContact NH1-OD1 3.37Å; R225-D240 IonicContact NH1-OD2 3.84Å; R225-D240 IonicContact NH2-OD1 2.68Å; R225-D240 PolarHBondContact NH2-OD1 3.17Å; R225-D240 VanDerWaalsContact NH2-OD1 3.13Å; R225-D241 IonicContact CZ-OD1 3.57Å; R225-D241 IonicContact CZ-OD2 2.64Å; R225-D241 IonicContact NH2-OD1 2.81Å; R225-D241 PolarHBondContact NH2-OD1 2.65Å; R225-D241 IonicContact NH2-OD2 3.82Å; R225-D241 PolarHBondContact NH2-OD2 3.05Å
226R98Very high98.1Very high142 Ų14244 Ų4454%0.53623%0.226SC..  trans-118.3135.7175.9-68.3-177.4-66.5179.7-0.1111.5D160 L228 L239 D240D160-R226 HydrophobicContact CB-CG 3.73Å; R226-L228 HydrophobicContact CB-CD2 4.16Å; R226-L239 CarbonylContact O-C 3.4Å; R226-L239 VanDerWaalsContact O-CA 3.26Å; R226-L239 WeakPolarHBondContact O-CA 3.38Å; R226-D240 HydrophobicContact CB-CB 4.34Å; R226-D240 PolarHBondContact N-OD2 3.22Å; R226-D240 VanDerWaalsContact N-OD2 3.1Å; R226-D240 PolarHBondContact O-N 2.86Å
227I98.6Very high98.2Very high12 Ų1239.7 Ų39.76%0.06221%0.208CC..EExtended strand (participates in β ladder)trans-83.2122162-53.8-66.4000107V133 V158 L230 A237 I238 L239 L406V133-I227 HydrophobicContact CG1-CB 3.88Å; V133-I227 HydrophobicContact CG1-CG1 3.87Å; V133-I227 HydrophobicContact CG2-CB 4.34Å; V133-I227 HydrophobicContact CG2-CG1 3.88Å; V158-I227 HydrophobicContact CB-CG1 4.34Å; V158-I227 HydrophobicContact CG1-CD1 4.2Å; V158-I227 HydrophobicContact CG1-CG1 4.13Å; I227-L230 HydrophobicContact CG2-CD2 3.81Å; I227-A237 HydrophobicContact CD1-CB 3.81Å; I227-A237 HydrophobicContact CG2-CB 3.83Å; I227-I238 CarbonylContact C-O 3.57Å; I227-L239 HydrophobicContact CD1-CD1 3.37Å; I227-L239 HydrophobicContact CD1-CD2 4.31Å; I227-L239 HydrophobicContact CD1-CG 3.52Å; I227-L406 HydrophobicContact CB-CD1 4.48Å; I227-L406 HydrophobicContact CB-CD2 4.32Å; I227-L406 HydrophobicContact CG2-CD1 3.78Å; I227-L406 HydrophobicContact CG2-CD2 4.19Å
228L98.3Very high98.3Very high59 Ų5938 Ų3831%0.30920%0.195SC..EExtended strand (participates in β ladder)trans-95.4-29.6-177-61.6-172.4000112.7R226 I238 D240 L406 K409R226-L228 HydrophobicContact CB-CD2 4.16Å; L228-I238 PolarHBondContact N-O 3.18Å; L228-D240 HydrophobicContact CD1-CB 4.17Å; L228-D240 HydrophobicContact CD2-CB 4.35Å; L228-D240 HydrophobicContact CG-CB 4.22Å; L228-L406 VanDerWaalsContact C-CD1 3.45Å; L228-K409 WeakPolarHBondContact O-CD 2.98Å
229E98.6Very high98.3Very high81 Ų8137.4 Ų37.438%0.37919%0.189SC..EExtended strand (participates in β ladder)trans-156.1149-174.7-172.9176.3159.900110.3I238 L406 K409E229-I238 HydrophobicContact CB-CB 4.32Å; E229-I238 HydrophobicContact CB-CD1 4.27Å; E229-I238 HydrophobicContact CG-CD1 4.39Å; E229-I238 PolarHBondContact N-O 2.89Å; E229-I238 PolarHBondContact O-N 3.3Å; E229-L406 VanDerWaalsContact CA-CD1 3.49Å; E229-L406 VanDerWaalsContact N-CD1 3.32Å; E229-K409 HydrophobicContact CG-CB 4.4Å
230L98.8Very high98.3Very high3 Ų339.7 Ų39.72%0.01620%0.201CC..EExtended strand (participates in β ladder)trans-112.6127167.3-56.5-179.9000109.1I227 L232 E236 A237 Y247 I252 L406 S410 V433I227-L230 HydrophobicContact CG2-CD2 3.81Å; L230-L232 HydrophobicContact CB-CD2 3.98Å; L230-L232 HydrophobicContact CD1-CD2 4.39Å; L230-L232 PolarHBondContact O-N 3.3Å; L230-E236 CarbonylContact C-O 3.53Å; L230-E236 WeakPolarHBondContact CA-O 3.42Å; L230-A237 HydrophobicContact CD2-CB 3.6Å; L230-Y247 HydrophobicContact CD2-CE1 4.01Å; L230-I252 HydrophobicContact CD1-CD1 3.86Å; L230-I252 HydrophobicContact CD1-CG1 4.17Å; L230-L406 HydrophobicContact CG-CD1 4.12Å; L230-S410 PolarHBondContact N-OG 3.15Å; L230-V433 HydrophobicContact CD1-CG1 3.92Å
231D98.4Very high98.2Very high55 Ų5543.7 Ų43.729%0.29422%0.222SC..EExtended strand (participates in β ladder)trans-81.7100.7159.7-173.7-28.7000107.8L233 A234 H235 E236D231-L233 VanDerWaalsContact C-N 3.28Å; D231-L233 PolarHBondContact O-N 3.49Å; D231-L233 PolarHBondContact OD1-N 2.66Å; D231-L233 VanDerWaalsContact OD1-N 3.09Å; D231-A234 HydrophobicContact CB-CB 4.08Å; D231-A234 VanDerWaalsContact CG-CB 3.43Å; D231-A234 PolarHBondContact OD1-N 3.39Å; D231-A234 WeakPolarHBondContact OD2-CB 3.44Å; D231-H235 WeakPolarHBondContact O-CA 3.49Å; D231-H235 PolarHBondContact O-N 3.27Å; D231-E236 HydrophobicContact CB-CB 4.31Å; D231-E236 PolarHBondContact N-O 3.32Å; D231-E236 PolarHBondContact O-N 3.46Å; D231-E236 VanDerWaalsContact O-N 3.1Å
232L98.4Very high98.1Very high49 Ų4949.7 Ų49.726%0.25725%0.254SS..THydrogen-bonded Turntrans-67.2-27.6-175.8-57.8179.2000112.6L230 S410 L412 A430 V433L230-L232 HydrophobicContact CB-CD2 3.98Å; L230-L232 HydrophobicContact CD1-CD2 4.39Å; L230-L232 PolarHBondContact O-N 3.3Å; L232-S410 WeakPolarHBondContact CD1-O 3.46Å; L232-L412 HydrophobicContact CD1-CD2 3.76Å; L232-L412 HydrophobicContact CD1-CG 4.41Å; L232-L412 HydrophobicContact CD2-CD2 4.22Å; L232-A430 HydrophobicContact CD1-CB 4.14Å; L232-A430 HydrophobicContact CD2-CB 4.27Å; L232-V433 HydrophobicContact CD2-CG2 3.93Å
233L97.6Very high98Very high164 Ų16451.1 Ų51.186%0.85926%0.264SS*.THydrogen-bonded Turntrans-81.4-46.2179.6-66.8177.4000110.6D231 H235D231-L233 VanDerWaalsContact C-N 3.28Å; D231-L233 PolarHBondContact O-N 3.49Å; D231-L233 PolarHBondContact OD1-N 2.66Å; D231-L233 VanDerWaalsContact OD1-N 3.09Å; L233-H235 PolarHBondContact O-N 2.88Å; L233-H235 PolarHBondContact O-ND1 2.82Å; L233-H235 VanDerWaalsContact O-ND1 3.1Å
234A98Very high98Very high38 Ų3855.9 Ų55.931%0.31428%0.282SS..THydrogen-bonded Turntrans-76-13.2179.600000113.5D231 E236D231-A234 HydrophobicContact CB-CB 4.08Å; D231-A234 VanDerWaalsContact CG-CB 3.43Å; D231-A234 PolarHBondContact OD1-N 3.39Å; D231-A234 WeakPolarHBondContact OD2-CB 3.44Å; A234-E236 VanDerWaalsContact C-N 3.34Å; A234-E236 HydrophobicContact CB-CB 4.42Å; A234-E236 HydrophobicContact CB-CG 3.94Å
235H98.6Very high98.1Very high46 Ų4655.1 Ų55.121%0.21327%0.273CS..THydrogen-bonded Turntrans56.447.6-170.2-60.760.6000111.3D231 L233 K246 Y247 D432D231-H235 WeakPolarHBondContact O-CA 3.49Å; D231-H235 PolarHBondContact O-N 3.27Å; L233-H235 PolarHBondContact O-N 2.88Å; L233-H235 PolarHBondContact O-ND1 2.82Å; L233-H235 VanDerWaalsContact O-ND1 3.1Å; H235-K246 CarbonylContact O-C 3.57Å; H235-K246 VanDerWaalsContact O-CA 3.32Å; H235-K246 WeakPolarHBondContact O-CA 3.49Å; H235-Y247 HydrophobicContact CB-CD2 4.09Å; H235-Y247 HydrophobicContact CB-CE2 3.87Å; H235-Y247 WeakPolarHBondContact CB-O 3.22Å; H235-Y247 VanDerWaalsContact O-CD1 3.31Å; H235-Y247 WeakPolarHBondContact O-CD1 3.49Å; H235-Y247 WeakPolarHBondContact O-CE1 3.34Å; H235-Y247 PolarHBondContact O-N 3.39Å; H235-D432 IonicContact CD2-OD2 2.82Å; H235-D432 IonicContact NE2-OD2 2.84Å; H235-D432 PolarHBondContact NE2-OD2 3.41Å
236E98.7Very high98.1Very high50 Ų5058.9 Ų58.923%0.23429%0.291CS..EExtended strand (participates in β ladder)trans-119.4138.3-179.8-65.4-171.3158.600111.4L230 D231 A234 R244 I245 K246 Y247L230-E236 CarbonylContact C-O 3.53Å; L230-E236 WeakPolarHBondContact CA-O 3.42Å; D231-E236 HydrophobicContact CB-CB 4.31Å; D231-E236 PolarHBondContact N-O 3.32Å; D231-E236 PolarHBondContact O-N 3.46Å; D231-E236 VanDerWaalsContact O-N 3.1Å; A234-E236 VanDerWaalsContact C-N 3.34Å; A234-E236 HydrophobicContact CB-CB 4.42Å; A234-E236 HydrophobicContact CB-CG 3.94Å; E236-R244 WeakPolarHBondContact OE2-CD 3.37Å; E236-R244 IonicContact OE2-CZ 3.13Å; E236-R244 IonicContact OE2-NH1 2.71Å; E236-R244 PolarHBondContact OE2-NH1 3.1Å; E236-I245 WeakPolarHBondContact CA-O 3.24Å; E236-K246 HydrophobicContact CG-CB 4.4Å; E236-Y247 VanDerWaalsContact C-CE1 3.46Å
237A98.7Very high98.1Very high0 Ų052.2 Ų52.20%027%0.266CS..EExtended strand (participates in β ladder)trans-104.1128.517200000109.7L131 I227 L230 R244 I245 Y247L131-A237 HydrophobicContact CD2-CB 3.37Å; I227-A237 HydrophobicContact CD1-CB 3.81Å; I227-A237 HydrophobicContact CG2-CB 3.83Å; L230-A237 HydrophobicContact CD2-CB 3.6Å; A237-R244 WeakPolarHBondContact O-CA 3.49Å; A237-I245 PolarHBondContact N-O 2.79Å; A237-I245 PolarHBondContact O-N 2.8Å; A237-Y247 HydrophobicContact CB-CD1 4.15Å; A237-Y247 HydrophobicContact CB-CE1 4.2Å
238I98.6Very high98.1Very high23 Ų2355.5 Ų55.512%0.11828%0.283CS..EExtended strand (participates in β ladder)trans-100.6124.5-178.6-53.4174.3000108.7I227 L228 E229 R244I227-I238 CarbonylContact C-O 3.57Å; L228-I238 PolarHBondContact N-O 3.18Å; E229-I238 HydrophobicContact CB-CB 4.32Å; E229-I238 HydrophobicContact CB-CD1 4.27Å; E229-I238 HydrophobicContact CG-CD1 4.39Å; E229-I238 PolarHBondContact N-O 2.89Å; E229-I238 PolarHBondContact O-N 3.3Å; I238-R244 HydrophobicContact CG1-CG 4.39Å
239L98.3Very high98.1Very high0 Ų055 Ų550%028%0.279CS..EExtended strand (participates in β ladder)trans-93.3171.3-177.2-77.279.7000112.8L124 R225 R226 I227 D241 N242 S243 I245L124-L239 HydrophobicContact CD1-CD2 3.22Å; R225-L239 HydrophobicContact CB-CD2 4.42Å; R226-L239 CarbonylContact O-C 3.4Å; R226-L239 VanDerWaalsContact O-CA 3.26Å; R226-L239 WeakPolarHBondContact O-CA 3.38Å; I227-L239 HydrophobicContact CD1-CD1 3.37Å; I227-L239 HydrophobicContact CD1-CD2 4.31Å; I227-L239 HydrophobicContact CD1-CG 3.52Å; L239-D241 WeakPolarHBondContact CB-OD1 3.41Å; L239-D241 PolarHBondContact O-N 3.35Å; L239-N242 WeakPolarHBondContact O-CA 3.39Å; L239-N242 PolarHBondContact O-N 2.83Å; L239-S243 PolarHBondContact N-O 2.94Å; L239-I245 HydrophobicContact CD1-CD1 3.82Å; L239-I245 HydrophobicContact CD1-CG1 3.78Å; L239-I245 HydrophobicContact CD2-CD1 4.34Å
240D97.2Very high98.2Very high49 Ų4951.2 Ų51.226%0.26226%0.261SS..THydrogen-bonded Turntrans-65.2-12.9176.857.74.7000116.1R225 R226 L228R225-D240 IonicContact CZ-OD1 3.34Å; R225-D240 IonicContact NE-OD1 2.79Å; R225-D240 IonicContact NH1-OD1 2.9Å; R225-D240 PolarHBondContact NH1-OD1 3.37Å; R225-D240 IonicContact NH1-OD2 3.84Å; R225-D240 IonicContact NH2-OD1 2.68Å; R225-D240 PolarHBondContact NH2-OD1 3.17Å; R225-D240 VanDerWaalsContact NH2-OD1 3.13Å; R226-D240 HydrophobicContact CB-CB 4.34Å; R226-D240 PolarHBondContact N-OD2 3.22Å; R226-D240 VanDerWaalsContact N-OD2 3.1Å; R226-D240 PolarHBondContact O-N 2.86Å; L228-D240 HydrophobicContact CD1-CB 4.17Å; L228-D240 HydrophobicContact CD2-CB 4.35Å; L228-D240 HydrophobicContact CG-CB 4.22Å
241D96.1Very high98.2Very high84 Ų8451 Ų5145%0.44926%0.26SS..THydrogen-bonded Turntrans-10010.7168.472-21.9000112.9R225 L239 S243R225-D241 IonicContact CZ-OD1 3.57Å; R225-D241 IonicContact CZ-OD2 2.64Å; R225-D241 IonicContact NH2-OD1 2.81Å; R225-D241 PolarHBondContact NH2-OD1 2.65Å; R225-D241 IonicContact NH2-OD2 3.82Å; R225-D241 PolarHBondContact NH2-OD2 3.05Å; L239-D241 WeakPolarHBondContact CB-OD1 3.41Å; L239-D241 PolarHBondContact O-N 3.35Å; D241-S243 PolarHBondContact O-N 2.95Å; D241-S243 WeakPolarHBondContact OD1-CB 3.39Å; D241-S243 PolarHBondContact OD1-N 2.97Å; D241-S243 PolarHBondContact OD1-OG 3.46Å; D241-S243 PolarHBondContact OD2-OG 3.36Å
242N96.4Very high98.2Very high131 Ų13148.4 Ų48.470%0.70125%0.246SC*.SBendtrans64.48.3-172.4-52.8-62.5000115.3L239L239-N242 WeakPolarHBondContact O-CA 3.39Å; L239-N242 PolarHBondContact O-N 2.83Å
243S97.3Very high98.2Very high30 Ų3046.5 Ų46.521%0.2124%0.237CC..  trans-67156.6168.468.60000110.8L239 D241L239-S243 PolarHBondContact N-O 2.94Å; D241-S243 PolarHBondContact O-N 2.95Å; D241-S243 WeakPolarHBondContact OD1-CB 3.39Å; D241-S243 PolarHBondContact OD1-N 2.97Å; D241-S243 PolarHBondContact OD1-OG 3.46Å; D241-S243 PolarHBondContact OD2-OG 3.36Å
244R98.2Very high98.2Very high116 Ų11640.3 Ų40.344%0.43821%0.206SC..EExtended strand (participates in β ladder)trans-122.9137.8-177.1-65.5176.8173-119.9-2.1110.4E236 A237 I238E236-R244 WeakPolarHBondContact OE2-CD 3.37Å; E236-R244 IonicContact OE2-CZ 3.13Å; E236-R244 IonicContact OE2-NH1 2.71Å; E236-R244 PolarHBondContact OE2-NH1 3.1Å; A237-R244 WeakPolarHBondContact O-CA 3.49Å; I238-R244 HydrophobicContact CG1-CG 4.39Å
245I98.5Very high98.2Very high1 Ų139.1 Ų39.11%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-122.3117.1173-56-179.4000107.7L124 P125 I128 L156 E236 A237 L239L124-I245 HydrophobicContact CB-CD1 3.98Å; L124-I245 HydrophobicContact CD1-CD1 4.04Å; P125-I245 WeakPolarHBondContact O-CG1 3.17Å; I128-I245 HydrophobicContact CG2-CG2 3.83Å; L156-I245 HydrophobicContact CD2-CD1 3.87Å; E236-I245 WeakPolarHBondContact CA-O 3.24Å; A237-I245 PolarHBondContact N-O 2.79Å; A237-I245 PolarHBondContact O-N 2.8Å; L239-I245 HydrophobicContact CD1-CD1 3.82Å; L239-I245 HydrophobicContact CD1-CG1 3.78Å; L239-I245 HydrophobicContact CD2-CD1 4.34Å
246K98.7Very high98.2Very high104 Ų10437.1 Ų37.145%0.45219%0.189SC..EExtended strand (participates in β ladder)trans-74137.1169.9-170176.5-176.8173.90109.8K126 H127 I128 H235 E236K126-K246 PolarHBondContact O-N 3.48Å; H127-K246 CarbonylContact C-O 3.52Å; H127-K246 VanDerWaalsContact CA-O 3.24Å; H127-K246 WeakPolarHBondContact CA-O 3.45Å; H127-K246 HydrophobicContact CB-CB 4.45Å; H127-K246 PolarHBondContact CD2-O 2.7Å; I128-K246 PolarHBondContact N-O 2.79Å; H235-K246 CarbonylContact O-C 3.57Å; H235-K246 VanDerWaalsContact O-CA 3.32Å; H235-K246 WeakPolarHBondContact O-CA 3.49Å; E236-K246 HydrophobicContact CG-CB 4.4Å
247Y98.7Very high98.1Very high2 Ų238.4 Ų38.41%0.00819%0.194CC..EExtended strand (participates in β ladder)trans-122.9158.9177.758-97.1000112.4I128 L131 L230 H235 E236 A237 C250 V433I128-Y247 WeakPolarHBondContact O-CA 3.5Å; L131-Y247 HydrophobicContact CB-CG 4.48Å; L131-Y247 HydrophobicContact CD2-CD1 3.89Å; L131-Y247 HydrophobicContact CD2-CG 4.41Å; L230-Y247 HydrophobicContact CD2-CE1 4.01Å; H235-Y247 HydrophobicContact CB-CD2 4.09Å; H235-Y247 HydrophobicContact CB-CE2 3.87Å; H235-Y247 WeakPolarHBondContact CB-O 3.22Å; H235-Y247 VanDerWaalsContact O-CD1 3.31Å; H235-Y247 WeakPolarHBondContact O-CD1 3.49Å; H235-Y247 WeakPolarHBondContact O-CE1 3.34Å; H235-Y247 PolarHBondContact O-N 3.39Å; E236-Y247 VanDerWaalsContact C-CE1 3.46Å; A237-Y247 HydrophobicContact CB-CD1 4.15Å; A237-Y247 HydrophobicContact CB-CE1 4.2Å; Y247-C250 HydrophobicContact CD1-CB 4.28Å; Y247-C250 HydrophobicContact CD2-CB 3.63Å; Y247-C250 HydrophobicContact CE1-CB 4.23Å; Y247-C250 HydrophobicContact CE2-CB 3.57Å; Y247-C250 HydrophobicContact CG-CB 3.99Å; Y247-V433 HydrophobicContact CE2-CG2 4.2Å
248N98.6Very high98Very high81 Ų8139.7 Ų39.743%0.43320%0.202SC..EExtended strand (participates in β ladder)trans-93.2-43.6164.5-62-2.1000110.6H127 I128 P129 D432H127-N248 PolarHBondContact NE2-OD1 2.82Å; I128-N248 PolarHBondContact O-N 3.46Å; P129-N248 WeakPolarHBondContact O-CB 3.47Å; P129-N248 PolarHBondContact O-N 2.8Å; N248-D432 WeakPolarHBondContact O-CB 3.38Å
249K98.8Very high97.8Very high49 Ų4944.5 Ų44.521%0.21322%0.219CC..EExtended strand (participates in β ladder)trans-132.4136.1175.9-60.7-68.9-167.5167.20109.5P129 Y130 L131 D432 Y434 M469P129-K249 PolarHBondContact O-N 2.94Å; Y130-K249 HydrophobicContact CD1-CB 4.02Å; Y130-K249 HydrophobicContact CD1-CG 4.39Å; Y130-K249 HydrophobicContact CE1-CB 4.44Å; Y130-K249 HydrophobicContact CE1-CG 4.31Å; L131-K249 PolarHBondContact N-O 3.46Å; K249-D432 WeakPolarHBondContact CA-O 3.49Å; K249-D432 HydrophobicContact CD-CB 3.86Å; K249-D432 WeakPolarHBondContact CD-OD1 3.37Å; K249-D432 VanDerWaalsContact CE-OD1 3.3Å; K249-D432 WeakPolarHBondContact CE-OD1 3.14Å; K249-D432 IonicContact NZ-OD1 3.98Å; K249-D432 PolarHBondContact NZ-OD1 2.86Å; K249-Y434 HydrophobicContact CD-CE2 4.26Å; K249-M469 HydrophobicContact CB-CB 4.36Å; K249-M469 HydrophobicContact CB-CE 3.61Å; K249-M469 HydrophobicContact CB-CG 4.35Å
250C98.9Very high97.3Very high0 Ų048.4 Ų48.40%024%0.239CC..EExtended strand (participates in β ladder)trans-120.1138.1178.2-177.30000111.3L131 Y247 D432 V433 Y434L131-C250 CarbonylContact O-C 3.51Å; L131-C250 VanDerWaalsContact O-CA 3.29Å; L131-C250 WeakPolarHBondContact O-CA 3.33Å; Y247-C250 HydrophobicContact CD1-CB 4.28Å; Y247-C250 HydrophobicContact CD2-CB 3.63Å; Y247-C250 HydrophobicContact CE1-CB 4.23Å; Y247-C250 HydrophobicContact CE2-CB 3.57Å; Y247-C250 HydrophobicContact CG-CB 3.99Å; C250-D432 PolarHBondContact N-O 3.19Å; C250-V433 HydrophobicContact CB-CG1 4.33Å; C250-V433 HydrophobicContact CB-CG2 4.31Å; C250-V433 CarbonylContact O-C 3.58Å; C250-V433 WeakPolarHBondContact O-CA 3.28Å; C250-Y434 PolarHBondContact O-N 3.32Å
251L98.9Very high96.7Very high0 Ų048.1 Ų48.10%024%0.237CC..EExtended strand (participates in β ladder)trans-113.7127169.4176.963.1000110L131 L132 V133 A142 A253 Y434 A436 A465 M469L131-L251 PolarHBondContact O-N 3.09Å; L132-L251 HydrophobicContact CD2-CB 3.59Å; L132-L251 HydrophobicContact CD2-CD2 4.04Å; L132-L251 HydrophobicContact CD2-CG 4.46Å; V133-L251 WeakPolarHBondContact CB-O 3.2Å; V133-L251 PolarHBondContact N-O 3.44Å; A142-L251 HydrophobicContact CB-CD2 3.43Å; A142-L251 VanDerWaalsContact CB-CD2 3.43Å; L251-A253 HydrophobicContact CD2-CB 4.2Å; L251-A253 HydrophobicContact CG-CB 4.13Å; L251-Y434 CarbonylContact C-O 3.51Å; L251-A436 HydrophobicContact CD1-CB 3.86Å; L251-A465 HydrophobicContact CD1-CB 3.77Å; L251-M469 HydrophobicContact CB-CE 4.01Å; L251-M469 HydrophobicContact CB-SD 3.85Å
252I98.9Very high96.1Very high0 Ų048.1 Ų48.10%024%0.242CC..EExtended strand (participates in β ladder)trans-95.3105.9169.4-53.4175.7000108.9L230 T254 L406 L412 I421 V433 Y434 A435 A436 C439L230-I252 HydrophobicContact CD1-CD1 3.86Å; L230-I252 HydrophobicContact CD1-CG1 4.17Å; I252-T254 HydrophobicContact CG2-CG2 4Å; I252-L406 HydrophobicContact CD1-CD2 4.48Å; I252-L406 HydrophobicContact CG1-CD2 4.31Å; I252-L406 HydrophobicContact CG2-CD2 4.18Å; I252-L412 HydrophobicContact CD1-CD1 3.35Å; I252-I421 HydrophobicContact CB-CD1 4.06Å; I252-I421 HydrophobicContact CD1-CD1 4.22Å; I252-I421 HydrophobicContact CG2-CD1 3.51Å; I252-V433 HydrophobicContact CD1-CG1 3.94Å; I252-V433 HydrophobicContact CG1-CG1 4.12Å; I252-Y434 PolarHBondContact N-O 3.22Å; I252-A435 HydrophobicContact CB-CB 4.26Å; I252-A435 CarbonylContact O-C 3.45Å; I252-A435 WeakPolarHBondContact O-CA 3.48Å; I252-A436 PolarHBondContact O-N 3.16Å; I252-C439 PolarHBondContact O-SG 3.5Å
253A98.8Very high95.5Very high8 Ų846.2 Ų46.27%0.06623%0.228CC..  trans-129.142-179.600000111V133 A138 S139 L251 G255V133-A253 CarbonylContact O-C 3.57Å; V133-A253 VanDerWaalsContact O-CA 3.23Å; V133-A253 WeakPolarHBondContact O-CA 3.42Å; V133-A253 WeakPolarHBondContact O-CB 3.45Å; V133-A253 PolarHBondContact O-N 3.08Å; A138-A253 HydrophobicContact CB-CB 3.85Å; S139-A253 WeakPolarHBondContact OG-CB 3.24Å; L251-A253 HydrophobicContact CD2-CB 4.2Å; L251-A253 HydrophobicContact CG-CB 4.13Å; A253-G255 PolarHBondContact O-N 2.94Å
254T98.4Very high94.7Very high34 Ų3445.3 Ų45.321%0.20922%0.221CC..  trans-69.4-9.1-175.749.40000114V133 I252 N403 L406V133-T254 HydrophobicContact CG1-CG2 4Å; V133-T254 PolarHBondContact O-N 2.89Å; I252-T254 HydrophobicContact CG2-CG2 4Å; T254-N403 PolarHBondContact O-ND2 2.72Å; T254-N403 PolarHBondContact OG1-O 2.57Å; T254-L406 HydrophobicContact CG2-CD2 4.33Å
255G97.8Very high94Very high13 Ų1346.2 Ų46.213%0.13423%0.228CC..  trans64.9-138.6174.700000112.8A253 N403 C439A253-G255 PolarHBondContact O-N 2.94Å; G255-N403 PolarHBondContact O-N 3.14Å; G255-C439 WeakPolarHBondContact O-CB 3.23Å
256A97.4Very high93.5Very high4 Ų452.9 Ų52.93%0.03326%0.264CS..EExtended strand (participates in β ladder)trans-142.4154.8-175.800000111R279 V400 E401 D438A256-R279 VanDerWaalsContact O-CZ 3.28Å; A256-R279 PolarHBondContact O-NE 3.39Å; A256-R279 PolarHBondContact O-NH2 3.02Å; A256-V400 HydrophobicContact CB-CB 3.82Å; A256-V400 HydrophobicContact CB-CG2 3.67Å; A256-E401 CarbonylContact C-O 3.59Å; A256-E401 WeakPolarHBondContact CA-O 3.28Å; A256-E401 WeakPolarHBondContact CB-O 3.41Å; A256-D438 HydrophobicContact CB-CB 3.78Å
257K96Very high92.9Very high77 Ų7748.8 Ų48.834%0.33525%0.247SC..EExtended strand (participates in β ladder)trans-109.3146.8176.458.9180151.8138.10111.5V400 E401 N403K257-V400 CarbonylContact O-C 3.09Å; K257-V400 WeakPolarHBondContact O-CA 3.35Å; K257-V400 VanDerWaalsContact O-CB 3.27Å; K257-V400 WeakPolarHBondContact O-CB 3.45Å; K257-E401 HydrophobicContact CD-CG 4.03Å; K257-E401 VanDerWaalsContact CD-OE1 3.23Å; K257-E401 WeakPolarHBondContact CD-OE1 3.38Å; K257-E401 WeakPolarHBondContact CE-OE1 3.37Å; K257-E401 HydrophobicContact CG-CG 3.39Å; K257-E401 PolarHBondContact N-O 2.89Å; K257-E401 IonicContact NZ-OE1 2.76Å; K257-E401 PolarHBondContact NZ-OE1 2.68Å; K257-E401 PolarHBondContact O-N 2.98Å; K257-N403 WeakPolarHBondContact CB-OD1 3.26Å; K257-N403 WeakPolarHBondContact CD-OD1 3.23Å; K257-N403 VanDerWaalsContact CG-OD1 3.26Å; K257-N403 WeakPolarHBondContact CG-OD1 3.31Å
258P97Very high92.3Very high28 Ų2852.1 Ų52.118%0.18227%0.27CS..EExtended strand (participates in β ladder)trans-60.3142.3177-25.636.9000113.3V277 R279P258-V277 HydrophobicContact CB-CB 3.69Å; P258-V277 HydrophobicContact CB-CG1 3.71Å; P258-V277 HydrophobicContact CB-CG2 4.22Å; P258-V277 HydrophobicContact CG-CB 3.86Å; P258-V277 HydrophobicContact CG-CG1 4.38Å; P258-V277 HydrophobicContact CG-CG2 3.97Å; P258-R279 HydrophobicContact CG-CB 3.76Å; P258-R279 HydrophobicContact CG-CG 4.23Å
259R94.4Very high91.7Very high123 Ų12354.7 Ų54.746%0.46428%0.284SS..  trans-76.3142.5169.2-66180-170.3-164-2.1110I398 G399 V400R259-I398 HydrophobicContact CB-CD1 3.97Å; R259-I398 HydrophobicContact CB-CG1 4.08Å; R259-I398 WeakPolarHBondContact O-CG1 3.37Å; R259-G399 PolarHBondContact N-O 2.66Å; R259-V400 PolarHBondContact NE-O 3.43Å; R259-V400 PolarHBondContact NH2-O 2.78Å
260I88Confident91.1Very high82 Ų8257 Ų5742%0.42130%0.299SS..  trans-119.1132.8173.7-57.2174.5000107.3I264 K265 V277I260-I264 HydrophobicContact CG2-CB 4.2Å; I260-I264 HydrophobicContact CG2-CD1 4.5Å; I260-I264 HydrophobicContact CG2-CG2 4.3Å; I260-K265 HydrophobicContact CG2-CG 4.46Å; I260-V277 HydrophobicContact CD1-CG1 4.46Å; I260-V277 HydrophobicContact CG1-CG1 4.02Å
261L84.5Confident90.6Very high44 Ų4457 Ų5723%0.2330%0.299CS..  trans-59.6132.7175.6-74.4-179.2000110.3E263 I264 M396 I398L261-E263 WeakPolarHBondContact CB-OE2 3.48Å; L261-E263 PolarHBondContact O-N 2.85Å; L261-I264 HydrophobicContact CB-CD1 3.9Å; L261-I264 HydrophobicContact CB-CG1 4.02Å; L261-I264 HydrophobicContact CD1-CD1 4.45Å; L261-I264 HydrophobicContact CG-CD1 4.46Å; L261-I264 WeakPolarHBondContact O-CB 3.42Å; L261-I264 PolarHBondContact O-N 2.89Å; L261-I264 VanDerWaalsContact O-N 3.1Å; L261-M396 HydrophobicContact CB-CE 4.26Å; L261-M396 HydrophobicContact CD1-CE 3.55Å; L261-M396 HydrophobicContact CG-CE 3.58Å; L261-I398 HydrophobicContact CD2-CD1 3.71Å; L261-I398 HydrophobicContact CG-CD1 3.77Å
262P84.8Confident90.2Very high83 Ų8360.1 Ų60.154%0.53931%0.314SS..Hα-helixtrans-53.5-36.1174.4-26.835.2000113.3I264 K265P262-I264 PolarHBondContact O-N 3.46Å; P262-K265 WeakPolarHBondContact O-CB 3.31Å; P262-K265 PolarHBondContact O-N 2.77Å
263E82.9Confident89.8Confident91 Ų9165.3 Ų65.343%0.42534%0.336SS..Hα-helixtrans-58.3-37.5179-6279.7-177.100111.5L261 K265 N266L261-E263 WeakPolarHBondContact CB-OE2 3.48Å; L261-E263 PolarHBondContact O-N 2.85Å; E263-K265 VanDerWaalsContact C-N 3.31Å; E263-K265 PolarHBondContact O-N 2.88Å; E263-N266 PolarHBondContact O-N 3.39Å
264I81.5Confident89.6Confident11 Ų1166.4 Ų66.46%0.05634%0.339CS..Hα-helixtrans-66.6-35.1178.3-64.3170.7000111.2I260 L261 P262 N266 L267 Q272 F275 M396I260-I264 HydrophobicContact CG2-CB 4.2Å; I260-I264 HydrophobicContact CG2-CD1 4.5Å; I260-I264 HydrophobicContact CG2-CG2 4.3Å; L261-I264 HydrophobicContact CB-CD1 3.9Å; L261-I264 HydrophobicContact CB-CG1 4.02Å; L261-I264 HydrophobicContact CD1-CD1 4.45Å; L261-I264 HydrophobicContact CG-CD1 4.46Å; L261-I264 WeakPolarHBondContact O-CB 3.42Å; L261-I264 PolarHBondContact O-N 2.89Å; L261-I264 VanDerWaalsContact O-N 3.1Å; P262-I264 PolarHBondContact O-N 3.46Å; I264-N266 PolarHBondContact O-N 2.88Å; I264-L267 HydrophobicContact CB-CD1 4.42Å; I264-L267 HydrophobicContact CG1-CD1 4.48Å; I264-L267 HydrophobicContact CG2-CD1 4.33Å; I264-L267 WeakPolarHBondContact O-CB 3.4Å; I264-L267 WeakPolarHBondContact O-CG 3.5Å; I264-L267 PolarHBondContact O-N 2.97Å; I264-Q272 WeakPolarHBondContact O-CG 3.49Å; I264-F275 HydrophobicContact CD1-CD1 3.53Å; I264-F275 HydrophobicContact CD1-CE1 3.76Å; I264-F275 HydrophobicContact CD1-CG 4.28Å; I264-F275 HydrophobicContact CG1-CD1 4.04Å; I264-F275 HydrophobicContact CG1-CE1 3.94Å; I264-F275 HydrophobicContact CG1-CZ 4.41Å; I264-F275 HydrophobicContact CG2-CB 4.26Å; I264-F275 HydrophobicContact CG2-CD1 4.33Å; I264-F275 HydrophobicContact CG2-CD2 4.32Å; I264-F275 HydrophobicContact CG2-CG 4.06Å; I264-M396 HydrophobicContact CD1-CE 3.48Å; I264-M396 VanDerWaalsContact CD1-CE 3.48Å; I264-M396 HydrophobicContact CD1-CG 3.77Å; I264-M396 HydrophobicContact CD1-SD 3.47Å; I264-M396 WeakPolarHBondContact CD1-SD 3.27Å
265K83.6Confident89.4Confident136 Ų13665.9 Ų65.959%0.59133%0.334SS*.Hα-helixtrans-67.8-19.4179.7-60.3-177.6179.3179.10112.8I260 P262 E263I260-K265 HydrophobicContact CG2-CG 4.46Å; P262-K265 WeakPolarHBondContact O-CB 3.31Å; P262-K265 PolarHBondContact O-N 2.77Å; E263-K265 VanDerWaalsContact C-N 3.31Å; E263-K265 PolarHBondContact O-N 2.88Å
266N86.6Confident89.3Confident140 Ų14065.7 Ų65.775%0.74933%0.33SS*.THydrogen-bonded Turntrans-93.4-5.6179.8-62.7-24.7000113E263 I264E263-N266 PolarHBondContact O-N 3.39Å; I264-N266 PolarHBondContact O-N 2.88Å
267L87.3Confident89.2Confident18 Ų1867 Ų679%0.09434%0.338CS..SBendtrans-72.5160.5176.8-59.1176.9000111.1I264 A271 Q272 F275 D365 A366I264-L267 HydrophobicContact CB-CD1 4.42Å; I264-L267 HydrophobicContact CG1-CD1 4.48Å; I264-L267 HydrophobicContact CG2-CD1 4.33Å; I264-L267 WeakPolarHBondContact O-CB 3.4Å; I264-L267 WeakPolarHBondContact O-CG 3.5Å; I264-L267 PolarHBondContact O-N 2.97Å; L267-A271 HydrophobicContact CB-CB 4.14Å; L267-A271 HydrophobicContact CD1-CB 4.43Å; L267-Q272 HydrophobicContact CB-CG 3.95Å; L267-Q272 PolarHBondContact O-NE2 2.84Å; L267-F275 HydrophobicContact CD1-CD2 4.33Å; L267-F275 HydrophobicContact CD1-CE2 3.6Å; L267-F275 HydrophobicContact CD1-CZ 3.94Å; L267-D365 WeakPolarHBondContact CD2-OD1 3.39Å; L267-A366 HydrophobicContact CD1-CB 3.84Å; L267-A366 HydrophobicContact CD2-CB 4.18Å
268S86.2Confident89.3Confident72 Ų7263.7 Ų63.750%0.50332%0.323SS..  trans-64.6151.6170.462.80000111.6D270 A271 Q272S268-D270 PolarHBondContact O-N 3.31Å; S268-D270 VanDerWaalsContact O-N 3.12Å; S268-A271 PolarHBondContact O-N 3.49Å; S268-Q272 WeakPolarHBondContact O-CG 3.48Å; S268-Q272 PolarHBondContact O-N 3.03Å
269D86Confident89.2Confident135 Ų13565 Ų6572%0.72233%0.325SS*.Hα-helixtrans-53.7-34.8176.5-65.4-19.7000112.1A271 Q272 K273D269-A271 VanDerWaalsContact C-N 3.3Å; D269-A271 PolarHBondContact O-N 3.41Å; D269-Q272 PolarHBondContact O-N 2.92Å; D269-K273 PolarHBondContact O-N 2.96Å
270D86.2Confident89.3Confident98 Ų9861.4 Ų61.452%0.52431%0.314SS..Hα-helixtrans-63.7-30.6175.5-86.3-38.9000114.2S268 K273 Y274 A368S268-D270 PolarHBondContact O-N 3.31Å; S268-D270 VanDerWaalsContact O-N 3.12Å; D270-K273 WeakPolarHBondContact O-CE 3.08Å; D270-K273 WeakPolarHBondContact O-CG 3.4Å; D270-K273 IonicContact OD1-NZ 2.91Å; D270-K273 PolarHBondContact OD1-NZ 3.23Å; D270-Y274 WeakPolarHBondContact O-CD2 3.25Å; D270-Y274 WeakPolarHBondContact O-CE2 3.42Å; D270-A368 HydrophobicContact CB-CB 4.36Å
271A88.4Confident89.6Confident0 Ų057.5 Ų57.50%029%0.294CS..Hα-helixtrans-85.7-39.7173.600000111.4L267 S268 D269 K273 Y274 F275 A368 L379L267-A271 HydrophobicContact CB-CB 4.14Å; L267-A271 HydrophobicContact CD1-CB 4.43Å; S268-A271 PolarHBondContact O-N 3.49Å; D269-A271 VanDerWaalsContact C-N 3.3Å; D269-A271 PolarHBondContact O-N 3.41Å; A271-K273 VanDerWaalsContact C-N 3.25Å; A271-K273 PolarHBondContact O-N 3.36Å; A271-Y274 PolarHBondContact O-N 2.62Å; A271-F275 WeakPolarHBondContact O-CD2 3.42Å; A271-A368 HydrophobicContact CB-CB 4.46Å; A271-L379 HydrophobicContact CB-CD1 3.99Å
272Q90Very high90.1Very high66 Ų6658.7 Ų58.731%0.30831%0.307SS..Hα-helixtrans-58.5-33.7-176.8-71.3-170.744.600113.2I264 L267 S268 D269 Y274 F275I264-Q272 WeakPolarHBondContact O-CG 3.49Å; L267-Q272 HydrophobicContact CB-CG 3.95Å; L267-Q272 PolarHBondContact O-NE2 2.84Å; S268-Q272 WeakPolarHBondContact O-CG 3.48Å; S268-Q272 PolarHBondContact O-N 3.03Å; D269-Q272 PolarHBondContact O-N 2.92Å; Q272-Y274 PolarHBondContact O-N 2.59Å; Q272-F275 PolarHBondContact O-N 3.35Å
273K91Very high90.6Very high108 Ų10855.7 Ų55.747%0.4729%0.286SS..THydrogen-bonded Turntrans-60.5-17.3179.473.4-166.4178.6-161.50115.2D269 D270 A271D269-K273 PolarHBondContact O-N 2.96Å; D270-K273 WeakPolarHBondContact O-CE 3.08Å; D270-K273 WeakPolarHBondContact O-CG 3.4Å; D270-K273 IonicContact OD1-NZ 2.91Å; D270-K273 PolarHBondContact OD1-NZ 3.23Å; A271-K273 VanDerWaalsContact C-N 3.25Å; A271-K273 PolarHBondContact O-N 3.36Å
274Y93.1Very high91.2Very high31 Ų3151.5 Ų51.512%0.12227%0.266CS..THydrogen-bonded Turntrans-90.7-2.8176.2-62-72.6000113.6D270 A271 Q272 A368 S377 L379 D392 H393 V394D270-Y274 WeakPolarHBondContact O-CD2 3.25Å; D270-Y274 WeakPolarHBondContact O-CE2 3.42Å; A271-Y274 PolarHBondContact O-N 2.62Å; Q272-Y274 PolarHBondContact O-N 2.59Å; Y274-A368 HydrophobicContact CE2-CB 4.12Å; Y274-S377 WeakPolarHBondContact OH-CB 3.49Å; Y274-S377 PolarHBondContact OH-O 2.99Å; Y274-L379 HydrophobicContact CD2-CD1 4.27Å; Y274-D392 VanDerWaalsContact CD1-O 3.24Å; Y274-D392 WeakPolarHBondContact CD1-O 3.5Å; Y274-H393 PolarHBondContact O-CE1 3.41Å; Y274-H393 PolarHBondContact O-ND1 3.11Å; Y274-H393 VanDerWaalsContact O-ND1 3.16Å; Y274-V394 PolarHBondContact O-N 2.93Å
275F94.6Very high91.9Very high24 Ų2452.7 Ų52.711%0.10527%0.271CS..EExtended strand (participates in β ladder)trans-101130.7174.4-68.4-98.4000109.1I264 L267 A271 Q272 A366 L379 L381 V394 M396I264-F275 HydrophobicContact CD1-CD1 3.53Å; I264-F275 HydrophobicContact CD1-CE1 3.76Å; I264-F275 HydrophobicContact CD1-CG 4.28Å; I264-F275 HydrophobicContact CG1-CD1 4.04Å; I264-F275 HydrophobicContact CG1-CE1 3.94Å; I264-F275 HydrophobicContact CG1-CZ 4.41Å; I264-F275 HydrophobicContact CG2-CB 4.26Å; I264-F275 HydrophobicContact CG2-CD1 4.33Å; I264-F275 HydrophobicContact CG2-CD2 4.32Å; I264-F275 HydrophobicContact CG2-CG 4.06Å; L267-F275 HydrophobicContact CD1-CD2 4.33Å; L267-F275 HydrophobicContact CD1-CE2 3.6Å; L267-F275 HydrophobicContact CD1-CZ 3.94Å; A271-F275 WeakPolarHBondContact O-CD2 3.42Å; Q272-F275 PolarHBondContact O-N 3.35Å; F275-A366 HydrophobicContact CE2-CB 4.06Å; F275-A366 HydrophobicContact CZ-CB 3.86Å; F275-L379 HydrophobicContact CD2-CD2 4.29Å; F275-L379 HydrophobicContact CE2-CD1 4.33Å; F275-L379 HydrophobicContact CE2-CD2 3.48Å; F275-L379 VanDerWaalsContact CE2-CD2 3.48Å; F275-L379 HydrophobicContact CZ-CD2 3.65Å; F275-L381 HydrophobicContact CE1-CD2 4.47Å; F275-L381 HydrophobicContact CZ-CD2 3.87Å; F275-V394 CarbonylContact C-O 3.51Å; F275-V394 WeakPolarHBondContact CA-O 3.27Å; F275-V394 HydrophobicContact CD1-CB 3.6Å; F275-V394 HydrophobicContact CD1-CG1 3.65Å; F275-V394 HydrophobicContact CD1-CG2 4.27Å; F275-V394 HydrophobicContact CE1-CB 3.75Å; F275-V394 HydrophobicContact CE1-CG1 3.64Å; F275-V394 HydrophobicContact CE1-CG2 3.98Å; F275-V394 HydrophobicContact CG-CB 4.2Å; F275-V394 HydrophobicContact CZ-CB 4.45Å; F275-V394 HydrophobicContact CZ-CG2 4.26Å; F275-M396 HydrophobicContact CD1-CG 4.2Å; F275-M396 HydrophobicContact CD1-SD 3.95Å; F275-M396 HydrophobicContact CE1-SD 4.33Å
276S95.4Very high92.3Very high8 Ų850.6 Ų50.66%0.05626%0.264CS..EExtended strand (participates in β ladder)trans-128.1157.1167.674.50000110.5H393 V394 V395 M396S276-H393 WeakPolarHBondContact CB-NE2 3.47Å; S276-H393 PolarHBondContact OG-NE2 2.87Å; S276-V394 PolarHBondContact N-O 2.68Å; S276-V395 CarbonylContact O-C 3.49Å; S276-V395 WeakPolarHBondContact O-CA 3.04Å; S276-M396 PolarHBondContact O-N 2.96Å
277V96.4Very high92.8Very high32 Ų3243.9 Ų43.919%0.19423%0.228CC..EExtended strand (participates in β ladder)trans-90.6-179.9163.7-64.80000108.9P258 I260 M396P258-V277 HydrophobicContact CB-CB 3.69Å; P258-V277 HydrophobicContact CB-CG1 3.71Å; P258-V277 HydrophobicContact CB-CG2 4.22Å; P258-V277 HydrophobicContact CG-CB 3.86Å; P258-V277 HydrophobicContact CG-CG1 4.38Å; P258-V277 HydrophobicContact CG-CG2 3.97Å; I260-V277 HydrophobicContact CD1-CG1 4.46Å; I260-V277 HydrophobicContact CG1-CG1 4.02Å; V277-M396 HydrophobicContact CG1-CB 4.32Å
278F97Very high93Very high8 Ų843.4 Ų43.44%0.03523%0.226CC..  trans-143110.3174.4-163.2-83.3000111.1L171 W176 D283 F284 L287 L305 L309 V395L171-F278 HydrophobicContact CB-CE1 4.08Å; L171-F278 HydrophobicContact CB-CZ 4.23Å; L171-F278 WeakPolarHBondContact O-CZ 3.45Å; W176-F278 HydrophobicContact CZ2-CE2 4.26Å; F278-D283 HydrophobicContact CD2-CB 4.34Å; F278-F284 HydrophobicContact CE2-CB 4.35Å; F278-F284 HydrophobicContact CE2-CD2 4.45Å; F278-F284 HydrophobicContact CZ-CB 4.17Å; F278-F284 HydrophobicContact CZ-CD2 4.04Å; F278-L287 HydrophobicContact CD2-CB 4.33Å; F278-L287 HydrophobicContact CD2-CD2 3.62Å; F278-L287 HydrophobicContact CE2-CB 4.14Å; F278-L287 HydrophobicContact CE2-CD2 3.6Å; F278-L305 HydrophobicContact CB-CD2 4.47Å; F278-L305 HydrophobicContact CD1-CD1 4.05Å; F278-L305 WeakPolarHBondContact O-CD2 3.37Å; F278-L309 HydrophobicContact CB-CD2 4.31Å; F278-L309 HydrophobicContact CD2-CD2 4.17Å; F278-L309 HydrophobicContact CE2-CD1 4.33Å; F278-L309 HydrophobicContact CG-CD2 4.09Å; F278-L309 HydrophobicContact CZ-CD1 4.33Å; F278-V395 HydrophobicContact CB-CG1 3.85Å
279R95.6Very high93.2Very high55 Ų5541.3 Ų41.321%0.20822%0.216CC..SBendtrans-147.5-47.5-175.4-175.962.2177.7-173.44.3112.7R168 A256 P258 D283 D438R168-R279 VanDerWaalsContact NH1-C 3.34Å; R168-R279 PolarHBondContact NH1-O 3.1Å; A256-R279 VanDerWaalsContact O-CZ 3.28Å; A256-R279 PolarHBondContact O-NE 3.39Å; A256-R279 PolarHBondContact O-NH2 3.02Å; P258-R279 HydrophobicContact CG-CB 3.76Å; P258-R279 HydrophobicContact CG-CG 4.23Å; R279-D283 WeakPolarHBondContact CA-OD2 3.23Å; R279-D283 WeakPolarHBondContact CB-OD2 3.38Å; R279-D283 PolarHBondContact N-OD2 2.83Å; R279-D438 IonicContact CZ-OD2 2.66Å; R279-D438 IonicContact NH1-OD2 2.68Å; R279-D438 PolarHBondContact NH1-OD2 3.24Å; R279-D438 IonicContact NH2-OD2 3.99Å; R279-D438 PolarHBondContact NH2-OD2 3.36Å
280D95.6Very high93.5Very high47 Ų4736.6 Ų36.625%0.25119%0.192SC..SBendtrans-119-177.2-170.564.541.1000113.9Y166 S282 D283 F284Y166-D280 WeakPolarHBondContact OH-CA 3.29Å; Y166-D280 VanDerWaalsContact OH-CB 3.23Å; Y166-D280 WeakPolarHBondContact OH-CB 3.3Å; D280-S282 VanDerWaalsContact C-N 3.29Å; D280-S282 PolarHBondContact O-N 2.88Å; D280-S282 WeakPolarHBondContact OD1-CA 3.39Å; D280-S282 VanDerWaalsContact OD1-CB 3.29Å; D280-S282 WeakPolarHBondContact OD1-CB 3.48Å; D280-S282 PolarHBondContact OD1-N 2.57Å; D280-D283 PolarHBondContact N-OD2 2.93Å; D280-D283 PolarHBondContact O-N 2.86Å; D280-D283 PolarHBondContact OD1-N 2.95Å; D280-F284 PolarHBondContact O-N 3.01Å
281V95.8Very high93.8Very high0 Ų032.3 Ų32.30%017%0.17CC..Hα-helixtrans-64.5-33.9179.7168.70000111.8Y163 Y166 L171 L187 F284 F285Y163-V281 HydrophobicContact CD2-CB 3.88Å; Y163-V281 HydrophobicContact CD2-CG1 3.85Å; Y163-V281 HydrophobicContact CD2-CG2 4.43Å; Y163-V281 HydrophobicContact CE1-CG1 4.19Å; Y163-V281 HydrophobicContact CE2-CB 3.91Å; Y163-V281 HydrophobicContact CE2-CG1 3.49Å; Y163-V281 VanDerWaalsContact CE2-CG1 3.49Å; Y163-V281 HydrophobicContact CG-CG1 4.36Å; Y166-V281 HydrophobicContact CD1-CG2 4.02Å; Y166-V281 HydrophobicContact CD2-CG2 4.09Å; Y166-V281 HydrophobicContact CE1-CG2 3.71Å; Y166-V281 HydrophobicContact CE2-CG2 3.75Å; Y166-V281 HydrophobicContact CG-CG2 4.25Å; Y166-V281 PolarHBondContact OH-N 2.78Å; L171-V281 HydrophobicContact CD1-CG2 4.25Å; L171-V281 HydrophobicContact CD2-CG2 4.21Å; L187-V281 HydrophobicContact CD1-CB 4.47Å; L187-V281 HydrophobicContact CD1-CG1 3.9Å; L187-V281 HydrophobicContact CD1-CG2 3.64Å; L187-V281 HydrophobicContact CD2-CG1 4.4Å; L187-V281 HydrophobicContact CD2-CG2 4.41Å; V281-F284 WeakPolarHBondContact O-CB 3.42Å; V281-F284 PolarHBondContact O-N 3.49Å; V281-F285 HydrophobicContact CG1-CD2 3.69Å; V281-F285 HydrophobicContact CG1-CE2 3.28Å; V281-F285 HydrophobicContact CG1-CZ 3.97Å; V281-F285 WeakPolarHBondContact O-CD2 3.37Å; V281-F285 PolarHBondContact O-N 3.05Å
282S94.4Very high93.7Very high70 Ų7037.7 Ų37.749%0.4919%0.191SC..Hα-helixtrans-66.8-43.9177-64.80000110.7D280 F284 F285 Q286D280-S282 VanDerWaalsContact C-N 3.29Å; D280-S282 PolarHBondContact O-N 2.88Å; D280-S282 WeakPolarHBondContact OD1-CA 3.39Å; D280-S282 VanDerWaalsContact OD1-CB 3.29Å; D280-S282 WeakPolarHBondContact OD1-CB 3.48Å; D280-S282 PolarHBondContact OD1-N 2.57Å; S282-F284 VanDerWaalsContact C-N 3.29Å; S282-F284 PolarHBondContact O-N 3.5Å; S282-F285 PolarHBondContact O-N 3.44Å; S282-Q286 WeakPolarHBondContact O-CB 3.03Å; S282-Q286 PolarHBondContact O-N 3.36Å
283D95.8Very high93.7Very high20 Ų2042.3 Ų42.311%0.10721%0.212CC..Hα-helixtrans-60.8-40.2173.6-59.9-38.8000111.9F278 R279 D280 Q286 L287F278-D283 HydrophobicContact CD2-CB 4.34Å; R279-D283 WeakPolarHBondContact CA-OD2 3.23Å; R279-D283 WeakPolarHBondContact CB-OD2 3.38Å; R279-D283 PolarHBondContact N-OD2 2.83Å; D280-D283 PolarHBondContact N-OD2 2.93Å; D280-D283 PolarHBondContact O-N 2.86Å; D280-D283 PolarHBondContact OD1-N 2.95Å; D283-Q286 PolarHBondContact O-N 3.34Å; D283-L287 WeakPolarHBondContact O-CB 3.36Å; D283-L287 PolarHBondContact O-N 3.35Å
284F95.8Very high93.7Very high2 Ų237.9 Ų37.91%0.00920%0.195CC..Hα-helixtrans-59.6-50.2176.4172.3-103.2000111.7L171 L175 W176 I184 L187 F278 D280 V281 S282 L287 A288L171-F284 HydrophobicContact CB-CB 4.46Å; L171-F284 HydrophobicContact CB-CD2 4.43Å; L171-F284 HydrophobicContact CD2-CB 4.27Å; L171-F284 HydrophobicContact CD2-CD1 4.49Å; L171-F284 HydrophobicContact CD2-CG 4.2Å; L171-F284 WeakPolarHBondContact O-CD2 3.32Å; L175-F284 HydrophobicContact CB-CE2 3.94Å; L175-F284 HydrophobicContact CB-CZ 3.84Å; L175-F284 HydrophobicContact CD1-CE1 4.42Å; L175-F284 HydrophobicContact CD1-CE2 4.44Å; L175-F284 HydrophobicContact CD1-CZ 4.21Å; W176-F284 HydrophobicContact CD2-CE2 4.35Å; W176-F284 AromaticContact CE2-CE2 3.67Å; W176-F284 AromaticContact CZ2-CD2 3.87Å; W176-F284 HydrophobicContact CZ2-CD2 3.87Å; W176-F284 AromaticContact CZ2-CE2 3.77Å; W176-F284 HydrophobicContact CZ2-CE2 3.77Å; W176-F284 AromaticContact NE1-CD2 3.93Å; W176-F284 AromaticContact NE1-CE2 3.66Å; I184-F284 HydrophobicContact CG2-CE1 3.75Å; I184-F284 HydrophobicContact CG2-CZ 3.48Å; I184-F284 VanDerWaalsContact CG2-CZ 3.48Å; L187-F284 HydrophobicContact CD2-CD1 4.01Å; L187-F284 HydrophobicContact CD2-CE1 4.13Å; F278-F284 HydrophobicContact CE2-CB 4.35Å; F278-F284 HydrophobicContact CE2-CD2 4.45Å; F278-F284 HydrophobicContact CZ-CB 4.17Å; F278-F284 HydrophobicContact CZ-CD2 4.04Å; D280-F284 PolarHBondContact O-N 3.01Å; V281-F284 WeakPolarHBondContact O-CB 3.42Å; V281-F284 PolarHBondContact O-N 3.49Å; S282-F284 VanDerWaalsContact C-N 3.29Å; S282-F284 PolarHBondContact O-N 3.5Å; F284-L287 PolarHBondContact O-N 2.97Å; F284-A288 VanDerWaalsContact O-CB 3.29Å; F284-A288 WeakPolarHBondContact O-CB 3.22Å; F284-A288 PolarHBondContact O-N 3.31Å
285F94.2Very high93.7Very high37 Ų3741.2 Ų41.216%0.16221%0.21CC..Hα-helixtrans-67.3-36.5179.5-69.7-39.6000113I115 F185 L187 V281 S282 A288 G289I115-F285 HydrophobicContact CG2-CE2 4.06Å; I115-F285 HydrophobicContact CG2-CZ 3.77Å; F185-F285 AromaticContact CD1-CD1 3.65Å; F185-F285 HydrophobicContact CD1-CD1 3.65Å; F185-F285 AromaticContact CD1-CE1 3.5Å; F185-F285 HydrophobicContact CD1-CE1 3.5Å; F185-F285 HydrophobicContact CD1-CZ 4.43Å; F185-F285 AromaticContact CE1-CD1 3.75Å; F185-F285 HydrophobicContact CE1-CD1 3.75Å; F185-F285 HydrophobicContact CE1-CE1 4.06Å; F185-F285 HydrophobicContact CG-CE1 4.48Å; L187-F285 HydrophobicContact CD2-CE1 4.29Å; L187-F285 HydrophobicContact CD2-CZ 4.03Å; L187-F285 HydrophobicContact CG-CZ 4.24Å; V281-F285 HydrophobicContact CG1-CD2 3.69Å; V281-F285 HydrophobicContact CG1-CE2 3.28Å; V281-F285 HydrophobicContact CG1-CZ 3.97Å; V281-F285 WeakPolarHBondContact O-CD2 3.37Å; V281-F285 PolarHBondContact O-N 3.05Å; S282-F285 PolarHBondContact O-N 3.44Å; F285-A288 PolarHBondContact O-N 2.82Å; F285-G289 PolarHBondContact O-N 3.25Å
286Q93.9Very high93.7Very high91 Ų9140.9 Ų40.943%0.42521%0.211SC..Hα-helixtrans-58.9-51.4173.1-177.3-179.1-0.600110.6S282 D283 A288 G289 V290S282-Q286 WeakPolarHBondContact O-CB 3.03Å; S282-Q286 PolarHBondContact O-N 3.36Å; D283-Q286 PolarHBondContact O-N 3.34Å; Q286-A288 PolarHBondContact O-N 2.82Å; Q286-G289 PolarHBondContact O-N 3.17Å; Q286-V290 WeakPolarHBondContact O-CG2 3.16Å; Q286-V290 PolarHBondContact O-N 2.97Å
287L95.2Very high93.8Very high0 Ų040.5 Ų40.50%021%0.208CC..Hα-helixtrans-66.7-36.9-179.6-174.358.1000112.2W176 F278 D283 F284 G289 V290 A291 V297 L309 L313 V395W176-L287 HydrophobicContact CH2-CB 4.15Å; W176-L287 HydrophobicContact CH2-CD2 4.07Å; W176-L287 HydrophobicContact CH2-CG 3.73Å; W176-L287 HydrophobicContact CZ2-CB 4.28Å; W176-L287 HydrophobicContact CZ2-CD2 3.83Å; W176-L287 HydrophobicContact CZ2-CG 3.98Å; F278-L287 HydrophobicContact CD2-CB 4.33Å; F278-L287 HydrophobicContact CD2-CD2 3.62Å; F278-L287 HydrophobicContact CE2-CB 4.14Å; F278-L287 HydrophobicContact CE2-CD2 3.6Å; D283-L287 WeakPolarHBondContact O-CB 3.36Å; D283-L287 PolarHBondContact O-N 3.35Å; F284-L287 PolarHBondContact O-N 2.97Å; L287-G289 VanDerWaalsContact C-N 3.31Å; L287-G289 PolarHBondContact O-N 3.19Å; L287-V290 PolarHBondContact O-N 3.42Å; L287-A291 WeakPolarHBondContact O-CB 3.45Å; L287-A291 PolarHBondContact O-N 3.23Å; L287-V297 HydrophobicContact CD1-CG1 4.33Å; L287-L309 HydrophobicContact CD2-CD1 3.96Å; L287-L309 HydrophobicContact CD2-CD2 3.94Å; L287-L309 HydrophobicContact CD2-CG 4.35Å; L287-L313 HydrophobicContact CD2-CD1 4.35Å; L287-L313 HydrophobicContact CD2-CD2 4.19Å; L287-L313 HydrophobicContact CG-CD2 4.29Å; L287-V395 HydrophobicContact CD1-CG2 3.55Å; L287-V395 HydrophobicContact CD2-CG2 3.94Å; L287-V395 HydrophobicContact CG-CG2 4.38Å
288A92.1Very high93.9Very high7 Ų739 Ų396%0.05820%0.199CC..Hα-helixtrans-63.5-38.6175.100000111.4W176 F284 F285 Q286 A291 R292W176-A288 HydrophobicContact CH2-CB 4.17Å; F284-A288 VanDerWaalsContact O-CB 3.29Å; F284-A288 WeakPolarHBondContact O-CB 3.22Å; F284-A288 PolarHBondContact O-N 3.31Å; F285-A288 PolarHBondContact O-N 2.82Å; Q286-A288 PolarHBondContact O-N 2.82Å; A288-A291 PolarHBondContact O-N 2.77Å; A288-R292 PolarHBondContact O-N 2.78Å
289G91Very high93.9Very high29 Ų2938.6 Ų38.630%0.29920%0.197SC..Hα-helixtrans-62-46.5172.200000112.5F285 Q286 L287 A291 R292F285-G289 PolarHBondContact O-N 3.25Å; Q286-G289 PolarHBondContact O-N 3.17Å; L287-G289 VanDerWaalsContact C-N 3.31Å; L287-G289 PolarHBondContact O-N 3.19Å; G289-A291 PolarHBondContact O-N 3.34Å; G289-R292 PolarHBondContact O-N 3.25Å
290V92.1Very high94Very high35 Ų3536.4 Ų36.421%0.21219%0.19CC..Hα-helixtrans-59.6-46.8175.9169.30000111.4Q286 L287 R292 H293 A294 V297 H393Q286-V290 WeakPolarHBondContact O-CG2 3.16Å; Q286-V290 PolarHBondContact O-N 2.97Å; L287-V290 PolarHBondContact O-N 3.42Å; V290-R292 PolarHBondContact O-N 2.94Å; V290-R292 VanDerWaalsContact O-N 3.11Å; V290-H293 PolarHBondContact O-N 3.44Å; V290-H293 VanDerWaalsContact O-N 3.09Å; V290-A294 HydrophobicContact CG1-CB 3.99Å; V290-A294 VanDerWaalsContact O-CB 3.29Å; V290-A294 WeakPolarHBondContact O-CB 3.24Å; V290-A294 PolarHBondContact O-N 2.92Å; V290-V297 HydrophobicContact CG1-CG2 4.14Å; V290-H393 HydrophobicContact CG1-CB 3.46Å; V290-H393 VanDerWaalsContact CG1-CB 3.46Å
291A91.6Very high94.1Very high8 Ų834.4 Ų34.47%0.06618%0.181CC..Hα-helixtrans-62.9-19.7-175.200000114W176 L287 A288 G289 M322W176-A291 HydrophobicContact CH2-CB 4.49Å; W176-A291 HydrophobicContact CZ3-CB 4.01Å; L287-A291 WeakPolarHBondContact O-CB 3.45Å; L287-A291 PolarHBondContact O-N 3.23Å; A288-A291 PolarHBondContact O-N 2.77Å; G289-A291 PolarHBondContact O-N 3.34Å; A291-M322 HydrophobicContact CB-SD 4.22Å
292R88.1Confident94.1Very high114 Ų11434.7 Ų34.743%0.4318%0.184SC..THydrogen-bonded Turntrans-72.6-26.7175.5-69.5-166.1-121.5-162.818.9113.7D181 F185 A288 G289 V290D181-R292 IonicContact OD2-CZ 2.74Å; D181-R292 IonicContact OD2-NH1 2.75Å; D181-R292 PolarHBondContact OD2-NH1 3.28Å; F185-R292 VanDerWaalsContact CE2-NH2 3.31Å; A288-R292 PolarHBondContact O-N 2.78Å; G289-R292 PolarHBondContact O-N 3.25Å; V290-R292 PolarHBondContact O-N 2.94Å; V290-R292 VanDerWaalsContact O-N 3.11Å
293H88.5Confident94.2Very high163 Ų16332.8 Ų32.876%0.75518%0.175SC*.THydrogen-bonded Turntrans-124.1-18.9-170.7-55.5-61000113.9V290V290-H293 PolarHBondContact O-N 3.44Å; V290-H293 VanDerWaalsContact O-N 3.09Å
294A91.8Very high94.2Very high14 Ų1433.4 Ų33.412%0.11618%0.178CC..  trans-66.4141.8179.900000112V290 V297 M322 D392V290-A294 HydrophobicContact CG1-CB 3.99Å; V290-A294 VanDerWaalsContact O-CB 3.29Å; V290-A294 WeakPolarHBondContact O-CB 3.24Å; V290-A294 PolarHBondContact O-N 2.92Å; A294-V297 HydrophobicContact CB-CG2 3.76Å; A294-M322 HydrophobicContact CB-CG 4.5Å; A294-M322 HydrophobicContact CB-SD 4.35Å; A294-M322 WeakPolarHBondContact O-CB 3.21Å; A294-M322 VanDerWaalsContact O-CG 3.3Å; A294-M322 WeakPolarHBondContact O-CG 3.03Å; A294-D392 HydrophobicContact CB-CB 4.04Å
295K92.9Very high94.2Very high101 Ų10135.9 Ų35.944%0.43919%0.191SC..SBendtrans-90.9-23.3166.2-59.4-161.1177.9-135.30112.1E321 M322 K323 D392K295-E321 IonicContact NZ-OE2 3.36Å; K295-E321 PolarHBondContact NZ-OE2 2.75Å; K295-M322 CarbonylContact O-C 3.55Å; K295-M322 WeakPolarHBondContact O-CA 3.08Å; K295-K323 PolarHBondContact O-N 3.49Å; K295-D392 VanDerWaalsContact CA-OD2 3.3Å; K295-D392 WeakPolarHBondContact CA-OD2 3.21Å; K295-D392 WeakPolarHBondContact CB-OD2 3.49Å; K295-D392 PolarHBondContact N-OD2 2.99Å
296C95.1Very high94.3Very high17 Ų1734.1 Ų34.112%0.11518%0.183CC..EExtended strand (participates in β ladder)trans-151.5117.4-179-178.50000111.6K323 K390 T391 D392C296-K323 WeakPolarHBondContact CA-O 3.4Å; C296-K390 PolarHBondContact SG-O 3.35Å; C296-K390 VanDerWaalsContact SG-O 3.41Å; C296-T391 PolarHBondContact O-OG1 3.2Å; C296-D392 PolarHBondContact N-OD2 2.84Å; C296-D392 PolarHBondContact O-N 3.48Å
297V97.2Very high94.4Very high0 Ų029.8 Ų29.80%016%0.163CC..EExtended strand (participates in β ladder)trans-110.6127.5171.6178.60000109.4L287 V290 A294 L313 M322 K323 V324 V325 V395L287-V297 HydrophobicContact CD1-CG1 4.33Å; V290-V297 HydrophobicContact CG1-CG2 4.14Å; A294-V297 HydrophobicContact CB-CG2 3.76Å; V297-L313 HydrophobicContact CG1-CD1 4.06Å; V297-M322 HydrophobicContact CG2-CE 4.49Å; V297-M322 HydrophobicContact CG2-SD 3.89Å; V297-K323 PolarHBondContact N-O 2.87Å; V297-V324 WeakPolarHBondContact O-CA 3.3Å; V297-V325 PolarHBondContact O-N 2.86Å; V297-V395 HydrophobicContact CG1-CG2 4.24Å
298T98Very high94.4Very high0 Ų030.5 Ų30.50%017%0.167CC..EExtended strand (participates in β ladder)trans-100.6125.4176.2-56.70000110.2V300 V325 I327 L381 L389 T391 H393 V394 V395T298-V300 HydrophobicContact CG2-CG2 4.37Å; T298-V325 CarbonylContact C-O 3.51Å; T298-V325 VanDerWaalsContact CA-O 3.31Å; T298-V325 WeakPolarHBondContact CA-O 3.42Å; T298-V325 HydrophobicContact CG2-CB 4.38Å; T298-I327 HydrophobicContact CG2-CD1 3.89Å; T298-I327 HydrophobicContact CG2-CG1 4.02Å; T298-I327 HydrophobicContact CG2-CG2 4.35Å; T298-L381 HydrophobicContact CG2-CD1 4.14Å; T298-L389 HydrophobicContact CG2-CD2 4.18Å; T298-T391 PolarHBondContact N-OG1 2.75Å; T298-T391 VanDerWaalsContact OG1-CB 3.26Å; T298-T391 WeakPolarHBondContact OG1-CB 3.02Å; T298-T391 PolarHBondContact OG1-OG1 3.24Å; T298-H393 PolarHBondContact N-O 3.31Å; T298-V394 CarbonylContact O-C 3.58Å; T298-V394 VanDerWaalsContact O-CA 3.28Å; T298-V394 WeakPolarHBondContact O-CA 3.28Å; T298-V395 PolarHBondContact O-N 2.92Å
299V98.1Very high94.6Very high0 Ų030.2 Ų30.20%016%0.164CC..EExtended strand (participates in β ladder)trans-102.2125.3171.5-176.70000108.6A310 L313 V325 H326 I327 A397V299-A310 HydrophobicContact CG2-CB 4.44Å; V299-L313 HydrophobicContact CG2-CD1 3.81Å; V299-V325 PolarHBondContact N-O 3.06Å; V299-H326 WeakPolarHBondContact O-CA 3.46Å; V299-H326 PolarHBondContact O-CD2 3.27Å; V299-I327 PolarHBondContact O-N 3.49Å; V299-A397 HydrophobicContact CG1-CB 4.41Å
300V97.5Very high94.9Very high10 Ų1028.8 Ų28.86%0.06115%0.15CC..EExtended strand (participates in β ladder)trans-104.3122.8179.6-173.90000109.8T298 I327 V394 V395 M396 A397 I398T298-V300 HydrophobicContact CG2-CG2 4.37Å; V300-I327 WeakPolarHBondContact CA-O 3.14Å; V300-I327 HydrophobicContact CB-CG1 4.32Å; V300-I327 HydrophobicContact CG1-CG1 4.3Å; V300-I327 HydrophobicContact CG2-CD1 3.94Å; V300-I327 HydrophobicContact CG2-CG1 3.86Å; V300-V394 HydrophobicContact CG2-CG1 3.51Å; V300-V395 PolarHBondContact N-O 3.23Å; V300-M396 HydrophobicContact CB-CE 4.13Å; V300-M396 HydrophobicContact CB-SD 3.84Å; V300-M396 HydrophobicContact CG1-CE 4Å; V300-M396 HydrophobicContact CG1-SD 4.3Å; V300-M396 HydrophobicContact CG2-SD 3.84Å; V300-A397 CarbonylContact O-C 3.52Å; V300-A397 WeakPolarHBondContact O-CA 3.31Å; V300-A397 PolarHBondContact O-N 2.84Å; V300-I398 HydrophobicContact CG1-CG2 3.9Å
301G96.9Very high95Very high5 Ų527.3 Ų27.35%0.05214%0.14CC..  trans122.212617300000113.4G303 H326 I327G301-G303 VanDerWaalsContact C-N 3.25Å; G301-G303 PolarHBondContact O-N 2.72Å; G301-H326 PolarHBondContact O-NE2 3.3Å; G301-I327 PolarHBondContact N-O 2.84Å
302G96.5Very high95.1Very high6 Ų627 Ų276%0.06214%0.138CC..SBendtrans-85.916.3-179.500000113.9F328 L334G302-F328 VanDerWaalsContact N-CB 3.3Å; G302-L334 WeakPolarHBondContact O-CA 3.41Å; G302-L334 PolarHBondContact O-N 3.37Å
303G96Very high95.4Very high30 Ų3021.6 Ų21.631%0.30912%0.118SC..SBendtrans-80.3-175.8179.300000113.4G301 L305 T307 L334G301-G303 VanDerWaalsContact C-N 3.25Å; G301-G303 PolarHBondContact O-N 2.72Å; G303-L305 PolarHBondContact O-N 2.86Å; G303-T307 VanDerWaalsContact O-CB 3.31Å; G303-T307 WeakPolarHBondContact O-CB 3.42Å; G303-T307 PolarHBondContact O-N 3.26Å; G303-T307 PolarHBondContact O-OG1 3.19Å; G303-L334 VanDerWaalsContact C-CD2 3.49Å
304L95.1Very high95.7Very high33 Ų3315.3 Ų15.317%0.1739%0.089CC..Hα-helixtrans-53.7-56.2177.6-70.3166.5000111.3G306 T307 E308 L334 F337 F482 F492L304-G306 PolarHBondContact O-N 2.77Å; L304-T307 PolarHBondContact O-N 2.66Å; L304-E308 VanDerWaalsContact O-CB 3.28Å; L304-E308 WeakPolarHBondContact O-CB 3.38Å; L304-E308 WeakPolarHBondContact O-CG 3.47Å; L304-E308 PolarHBondContact O-N 3.44Å; L304-L334 HydrophobicContact CD2-CD2 3.89Å; L304-L334 HydrophobicContact CG-CD2 4.21Å; L304-F337 HydrophobicContact CD1-CE2 4.1Å; L304-F337 HydrophobicContact CD1-CZ 4.42Å; L304-F337 HydrophobicContact CG-CD2 4.46Å; L304-F337 HydrophobicContact CG-CE2 4Å; L304-F482 HydrophobicContact CD1-CD2 3.67Å; L304-F482 HydrophobicContact CD1-CE2 3.98Å; L304-F482 HydrophobicContact CD1-CG 4.41Å; L304-F482 HydrophobicContact CD2-CD2 4.02Å; L304-F482 HydrophobicContact CD2-CE2 4.02Å; L304-F482 HydrophobicContact CG-CD2 4.5Å; L304-F492 HydrophobicContact CD2-CE2 4.23Å; L304-F492 HydrophobicContact CD2-CZ 3.74Å
305L95.7Very high95.6Very high53 Ų5315.2 Ų15.228%0.2779%0.088SC..Hα-helixtrans-59.7-49.8-177.8177.963.4000112.6F278 G303 T307 E308 L309 A397F278-L305 HydrophobicContact CB-CD2 4.47Å; F278-L305 HydrophobicContact CD1-CD1 4.05Å; F278-L305 WeakPolarHBondContact O-CD2 3.37Å; G303-L305 PolarHBondContact O-N 2.86Å; L305-T307 VanDerWaalsContact C-N 3.35Å; L305-T307 PolarHBondContact O-N 3.07Å; L305-E308 PolarHBondContact O-N 2.88Å; L305-L309 WeakPolarHBondContact O-CB 3.33Å; L305-L309 PolarHBondContact O-N 3Å; L305-A397 HydrophobicContact CB-CB 4.43Å; L305-A397 HydrophobicContact CD2-CB 4.1Å; L305-A397 HydrophobicContact CG-CB 4.08Å
306G96.6Very high95.4Very high0 Ų012.7 Ų12.70%08%0.078CC..Hα-helixtrans-63.9-40.6-177.100000112.6L304 A310L304-G306 PolarHBondContact O-N 2.77Å; G306-A310 WeakPolarHBondContact O-CB 3.25Å; G306-A310 PolarHBondContact O-N 3.32Å
307T96.6Very high95Very high0 Ų012.1 Ų12.10%07%0.073CC..Hα-helixtrans-70.2-42.3178.7-460000111.6G303 L304 L305 C311 C333 L334 M350 L486G303-T307 VanDerWaalsContact O-CB 3.31Å; G303-T307 WeakPolarHBondContact O-CB 3.42Å; G303-T307 PolarHBondContact O-N 3.26Å; G303-T307 PolarHBondContact O-OG1 3.19Å; L304-T307 PolarHBondContact O-N 2.66Å; L305-T307 VanDerWaalsContact C-N 3.35Å; L305-T307 PolarHBondContact O-N 3.07Å; T307-C311 PolarHBondContact O-N 3.46Å; T307-C311 PolarHBondContact O-SG 2.93Å; T307-C333 HydrophobicContact CG2-CB 4.19Å; T307-L334 HydrophobicContact CG2-CG 4.45Å; T307-M350 HydrophobicContact CG2-CE 3.73Å; T307-M350 HydrophobicContact CG2-SD 3.37Å; T307-M350 WeakPolarHBondContact CG2-SD 3.29Å; T307-L486 HydrophobicContact CG2-CD1 3.71Å; T307-L486 HydrophobicContact CG2-CD2 3.43Å; T307-L486 VanDerWaalsContact CG2-CD2 3.43Å; T307-L486 HydrophobicContact CG2-CG 4.21Å
308E95.3Very high94.3Very high16 Ų1614.3 Ų14.38%0.0759%0.092CC..Hα-helixtrans-62-48.7174.7-74.1172.916800111.5K173 L304 L305 A310 C311 A312 S484K173-E308 WeakPolarHBondContact CE-OE1 3.47Å; K173-E308 WeakPolarHBondContact CE-OE2 3.34Å; K173-E308 IonicContact NZ-OE1 3.33Å; K173-E308 PolarHBondContact NZ-OE1 3.48Å; K173-E308 IonicContact NZ-OE2 3.65Å; L304-E308 VanDerWaalsContact O-CB 3.28Å; L304-E308 WeakPolarHBondContact O-CB 3.38Å; L304-E308 WeakPolarHBondContact O-CG 3.47Å; L304-E308 PolarHBondContact O-N 3.44Å; L305-E308 PolarHBondContact O-N 2.88Å; E308-A310 PolarHBondContact O-N 2.62Å; E308-C311 PolarHBondContact O-N 3.5Å; E308-A312 WeakPolarHBondContact O-CB 3.1Å; E308-A312 PolarHBondContact O-N 3.19Å; E308-S484 WeakPolarHBondContact CG-OG 3.29Å; E308-S484 WeakPolarHBondContact OE1-CA 3.47Å; E308-S484 WeakPolarHBondContact OE1-CB 3.23Å; E308-S484 PolarHBondContact OE1-OG 3.06Å
309L95.9Very high93.6Very high0 Ų018.4 Ų18.40%013%0.134CC..Hα-helixtrans-65.8-40.3-177-175.162.7000111.6W176 F278 L287 L305 C311 A312 L313 V395W176-L309 HydrophobicContact CZ2-CD1 4.49Å; F278-L309 HydrophobicContact CB-CD2 4.31Å; F278-L309 HydrophobicContact CD2-CD2 4.17Å; F278-L309 HydrophobicContact CE2-CD1 4.33Å; F278-L309 HydrophobicContact CG-CD2 4.09Å; F278-L309 HydrophobicContact CZ-CD1 4.33Å; L287-L309 HydrophobicContact CD2-CD1 3.96Å; L287-L309 HydrophobicContact CD2-CD2 3.94Å; L287-L309 HydrophobicContact CD2-CG 4.35Å; L305-L309 WeakPolarHBondContact O-CB 3.33Å; L305-L309 PolarHBondContact O-N 3Å; L309-C311 VanDerWaalsContact C-N 3.32Å; L309-C311 PolarHBondContact O-N 2.96Å; L309-A312 PolarHBondContact O-N 3.38Å; L309-L313 HydrophobicContact CD1-CD1 4.4Å; L309-L313 HydrophobicContact CD1-CG 4.17Å; L309-L313 HydrophobicContact CG-CD1 4.03Å; L309-L313 HydrophobicContact CG-CG 4.27Å; L309-L313 WeakPolarHBondContact O-CB 3.14Å; L309-L313 VanDerWaalsContact O-CG 3.32Å; L309-L313 WeakPolarHBondContact O-CG 3.34Å; L309-L313 PolarHBondContact O-N 2.77Å; L309-V395 HydrophobicContact CD2-CB 4.34Å; L309-V395 HydrophobicContact CD2-CG1 3.69Å
310A96.8Very high93.2Very high0 Ų022.5 Ų22.50%016%0.159CC..Hα-helixtrans-58.9-44.2174.200000111.7V299 G306 E308 Q314 V324 H326 M350 I355V299-A310 HydrophobicContact CG2-CB 4.44Å; G306-A310 WeakPolarHBondContact O-CB 3.25Å; G306-A310 PolarHBondContact O-N 3.32Å; E308-A310 PolarHBondContact O-N 2.62Å; A310-Q314 VanDerWaalsContact O-CB 3.31Å; A310-Q314 WeakPolarHBondContact O-CB 3.18Å; A310-Q314 PolarHBondContact O-N 2.83Å; A310-V324 HydrophobicContact CB-CG1 4.28Å; A310-H326 HydrophobicContact CB-CB 4.01Å; A310-M350 HydrophobicContact CB-CE 4.04Å; A310-I355 HydrophobicContact CB-CD1 4.33Å
311C95.5Very high92.8Very high3 Ų329.2 Ų29.22%0.0219%0.19CC..Hα-helixtrans-65.8-39.6175.5-64.50000112.6T307 E308 L309 A315T307-C311 PolarHBondContact O-N 3.46Å; T307-C311 PolarHBondContact O-SG 2.93Å; E308-C311 PolarHBondContact O-N 3.5Å; L309-C311 VanDerWaalsContact C-N 3.32Å; L309-C311 PolarHBondContact O-N 2.96Å; C311-A315 WeakPolarHBondContact O-CB 3.49Å; C311-A315 PolarHBondContact O-N 2.86Å
312A93.8Very high92.7Very high2 Ų229.4 Ų29.42%0.01719%0.189CC..Hα-helixtrans-65.1-49.1179.400000111.3S172 W176 E308 L309 A315 H316S172-A312 WeakPolarHBondContact O-CB 3.5Å; W176-A312 HydrophobicContact CB-CB 3.8Å; W176-A312 HydrophobicContact CG-CB 3.88Å; E308-A312 WeakPolarHBondContact O-CB 3.1Å; E308-A312 PolarHBondContact O-N 3.19Å; L309-A312 PolarHBondContact O-N 3.38Å; A312-A315 PolarHBondContact O-N 2.74Å; A312-H316 PolarHBondContact O-N 3.49Å
313L94.5Very high92.6Very high0 Ų036.3 Ų36.30%022%0.218CC..Hα-helixtrans-60.9-47176.6-72.8173.1000112W176 L287 V297 V299 L309 A315 H316 C317 M322 V324W176-L313 HydrophobicContact CD2-CD2 4.29Å; W176-L313 HydrophobicContact CE3-CD2 3.82Å; W176-L313 HydrophobicContact CH2-CD2 3.69Å; W176-L313 HydrophobicContact CZ2-CD2 4.17Å; W176-L313 HydrophobicContact CZ3-CD2 3.5Å; W176-L313 VanDerWaalsContact CZ3-CD2 3.5Å; L287-L313 HydrophobicContact CD2-CD1 4.35Å; L287-L313 HydrophobicContact CD2-CD2 4.19Å; L287-L313 HydrophobicContact CG-CD2 4.29Å; V297-L313 HydrophobicContact CG1-CD1 4.06Å; V299-L313 HydrophobicContact CG2-CD1 3.81Å; L309-L313 HydrophobicContact CD1-CD1 4.4Å; L309-L313 HydrophobicContact CD1-CG 4.17Å; L309-L313 HydrophobicContact CG-CD1 4.03Å; L309-L313 HydrophobicContact CG-CG 4.27Å; L309-L313 WeakPolarHBondContact O-CB 3.14Å; L309-L313 VanDerWaalsContact O-CG 3.32Å; L309-L313 WeakPolarHBondContact O-CG 3.34Å; L309-L313 PolarHBondContact O-N 2.77Å; L313-A315 PolarHBondContact O-N 3.01Å; L313-A315 VanDerWaalsContact O-N 3.15Å; L313-H316 WeakPolarHBondContact O-CB 3.43Å; L313-H316 PolarHBondContact O-N 2.79Å; L313-H316 VanDerWaalsContact O-N 3.16Å; L313-C317 PolarHBondContact O-N 2.84Å; L313-C317 PolarHBondContact O-SG 3.14Å; L313-M322 HydrophobicContact CB-CE 4.38Å; L313-V324 HydrophobicContact CB-CG1 4.46Å; L313-V324 HydrophobicContact CB-CG2 3.89Å
314Q94.1Very high92.7Very high31 Ų3134.9 Ų34.915%0.14520%0.203CC..Hα-helixtrans-57.2-34.1179.7178.757.655.600112.2A310 C317 A318 V324 L353 G354 I355A310-Q314 VanDerWaalsContact O-CB 3.31Å; A310-Q314 WeakPolarHBondContact O-CB 3.18Å; A310-Q314 PolarHBondContact O-N 2.83Å; Q314-C317 PolarHBondContact O-SG 3.32Å; Q314-C317 VanDerWaalsContact O-SG 3.37Å; Q314-A318 PolarHBondContact O-N 3.39Å; Q314-V324 HydrophobicContact CB-CG2 4.29Å; Q314-L353 HydrophobicContact CG-CB 4.5Å; Q314-L353 VanDerWaalsContact CG-O 3.26Å; Q314-L353 WeakPolarHBondContact CG-O 3.21Å; Q314-G354 PolarHBondContact OE1-O 2.94Å; Q314-I355 HydrophobicContact CB-CD1 4.02Å; Q314-I355 HydrophobicContact CB-CG1 3.68Å; Q314-I355 HydrophobicContact CG-CD1 4.35Å; Q314-I355 HydrophobicContact CG-CG1 3.62Å
315A89.6Confident92.9Very high12 Ų1233.6 Ų33.610%0.09920%0.196CC..Hα-helixtrans-87-30.6-178.200000113.1Y62 R65 C311 A312 L313 A318Y62-A315 HydrophobicContact CD2-CB 4.47Å; Y62-A315 HydrophobicContact CE2-CB 3.24Å; Y62-A315 VanDerWaalsContact CZ-CB 3.44Å; Y62-A315 WeakPolarHBondContact OH-CB 3.39Å; R65-A315 PolarHBondContact NH1-O 2.7Å; C311-A315 WeakPolarHBondContact O-CB 3.49Å; C311-A315 PolarHBondContact O-N 2.86Å; A312-A315 PolarHBondContact O-N 2.74Å; L313-A315 PolarHBondContact O-N 3.01Å; L313-A315 VanDerWaalsContact O-N 3.15Å; A315-A318 WeakPolarHBondContact O-CB 3.45Å; A315-A318 PolarHBondContact O-N 3.29Å
316H89Confident93Very high49 Ų4931 Ų3123%0.22718%0.183CC..Hα-helixtrans-60.2-46.4169.2-176.672.8000110.9W176 A312 L313 A318W176-H316 HydrophobicContact CB-CB 4.28Å; W176-H316 HydrophobicContact CE3-CB 3.85Å; W176-H316 AromaticContact CE3-CD2 3.87Å; W176-H316 AromaticContact CE3-CG 3.66Å; W176-H316 AromaticContact CZ3-CD2 3.97Å; W176-H316 WeakPolarHBondContact O-CB 3.45Å; W176-H316 PolarHBondContact O-ND1 3.27Å; A312-H316 PolarHBondContact O-N 3.49Å; L313-H316 WeakPolarHBondContact O-CB 3.43Å; L313-H316 PolarHBondContact O-N 2.79Å; L313-H316 VanDerWaalsContact O-N 3.16Å; H316-A318 VanDerWaalsContact C-N 3.26Å; H316-A318 PolarHBondContact O-N 2.89Å
317C86.5Confident93Very high4 Ų431 Ų313%0.02718%0.183CC..THydrogen-bonded Turntrans-837.8179.772.70000114.9L313 Q314 G319 T320 M322L313-C317 PolarHBondContact O-N 2.84Å; L313-C317 PolarHBondContact O-SG 3.14Å; Q314-C317 PolarHBondContact O-SG 3.32Å; Q314-C317 VanDerWaalsContact O-SG 3.37Å; C317-G319 PolarHBondContact O-N 2.97Å; C317-T320 WeakPolarHBondContact CB-OG1 3.23Å; C317-T320 PolarHBondContact O-N 2.91Å; C317-T320 PolarHBondContact O-OG1 3.45Å; C317-M322 HydrophobicContact CB-CB 3.89Å; C317-M322 HydrophobicContact CB-CE 3.46Å; C317-M322 VanDerWaalsContact CB-CE 3.46Å; C317-M322 HydrophobicContact CB-CG 4.47Å; C317-M322 HydrophobicContact CB-SD 4.25Å; C317-M322 PolarHBondContact SG-O 2.57Å
318A83.2Confident93.1Very high47 Ų4731 Ų3139%0.38818%0.183SC..THydrogen-bonded Turntrans-60.3110.7178.200000110.3Q314 A315 H316Q314-A318 PolarHBondContact O-N 3.39Å; A315-A318 WeakPolarHBondContact O-CB 3.45Å; A315-A318 PolarHBondContact O-N 3.29Å; H316-A318 VanDerWaalsContact C-N 3.26Å; H316-A318 PolarHBondContact O-N 2.89Å
319G82.4Confident93.1Very high85 Ų8533.6 Ų33.688%0.87620%0.201SC*.THydrogen-bonded Turntrans104.8-1.8-175.300000114.9C317C317-G319 PolarHBondContact O-N 2.97Å
320T89.8Confident93.1Very high87 Ų8737.4 Ų37.453%0.53422%0.219SC..SBendtrans-102.9173.9170.381.50000111C317 M322C317-T320 WeakPolarHBondContact CB-OG1 3.23Å; C317-T320 PolarHBondContact O-N 2.91Å; C317-T320 PolarHBondContact O-OG1 3.45Å; T320-M322 PolarHBondContact O-N 3.25Å; T320-M322 WeakPolarHBondContact OG1-CB 3.49Å; T320-M322 PolarHBondContact OG1-N 3.18Å
321E88.5Confident93Very high151 Ų15140.6 Ų40.671%0.70625%0.245SC*.SBendtrans-79.3-2.5174.2-61.4-169.5160.900113.5K295 K323K295-E321 IonicContact NZ-OE2 3.36Å; K295-E321 PolarHBondContact NZ-OE2 2.75Å; E321-K323 PolarHBondContact O-N 2.77Å
322M94.4Very high92.9Very high9 Ų940.5 Ų40.54%0.04425%0.245CC..  trans-71.6124.2-174.7-170.8-174.391.100111.2A291 A294 K295 V297 L313 C317 T320 V324A291-M322 HydrophobicContact CB-SD 4.22Å; A294-M322 HydrophobicContact CB-CG 4.5Å; A294-M322 HydrophobicContact CB-SD 4.35Å; A294-M322 WeakPolarHBondContact O-CB 3.21Å; A294-M322 VanDerWaalsContact O-CG 3.3Å; A294-M322 WeakPolarHBondContact O-CG 3.03Å; K295-M322 CarbonylContact O-C 3.55Å; K295-M322 WeakPolarHBondContact O-CA 3.08Å; V297-M322 HydrophobicContact CG2-CE 4.49Å; V297-M322 HydrophobicContact CG2-SD 3.89Å; L313-M322 HydrophobicContact CB-CE 4.38Å; C317-M322 HydrophobicContact CB-CB 3.89Å; C317-M322 HydrophobicContact CB-CE 3.46Å; C317-M322 VanDerWaalsContact CB-CE 3.46Å; C317-M322 HydrophobicContact CB-CG 4.47Å; C317-M322 HydrophobicContact CB-SD 4.25Å; C317-M322 PolarHBondContact SG-O 2.57Å; T320-M322 PolarHBondContact O-N 3.25Å; T320-M322 WeakPolarHBondContact OG1-CB 3.49Å; T320-M322 PolarHBondContact OG1-N 3.18Å; M322-V324 HydrophobicContact CE-CG2 3.8Å
323K95.9Very high93Very high150 Ų15040.4 Ų40.465%0.65224%0.244SC*.EExtended strand (participates in β ladder)trans-92.4143.5171-62.9-175.3179.7-176.10110.7K295 C296 V297 E321K295-K323 PolarHBondContact O-N 3.49Å; C296-K323 WeakPolarHBondContact CA-O 3.4Å; V297-K323 PolarHBondContact N-O 2.87Å; E321-K323 PolarHBondContact O-N 2.77Å
324V97.6Very high93.1Very high1 Ų140.5 Ų40.51%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-111123.1171.5-177.70000108.8V297 A310 L313 Q314 M322 I355 D356V297-V324 WeakPolarHBondContact O-CA 3.3Å; A310-V324 HydrophobicContact CB-CG1 4.28Å; L313-V324 HydrophobicContact CB-CG1 4.46Å; L313-V324 HydrophobicContact CB-CG2 3.89Å; Q314-V324 HydrophobicContact CB-CG2 4.29Å; M322-V324 HydrophobicContact CE-CG2 3.8Å; V324-I355 HydrophobicContact CG1-CG2 4.25Å; V324-D356 PolarHBondContact O-N 3.25Å
325V98.3Very high93Very high5 Ų540.8 Ų40.83%0.0325%0.25CS..EExtended strand (participates in β ladder)trans-108.9130.6174.4-171.10000108.2V297 T298 V299 I327 D356 L389V297-V325 PolarHBondContact O-N 2.86Å; T298-V325 CarbonylContact C-O 3.51Å; T298-V325 VanDerWaalsContact CA-O 3.31Å; T298-V325 WeakPolarHBondContact CA-O 3.42Å; T298-V325 HydrophobicContact CG2-CB 4.38Å; V299-V325 PolarHBondContact N-O 3.06Å; V325-I327 HydrophobicContact CG1-CG2 3.8Å; V325-D356 CarbonylContact C-O 3.55Å; V325-D356 WeakPolarHBondContact CA-O 3.26Å; V325-D356 HydrophobicContact CB-CB 4.48Å; V325-D356 HydrophobicContact CG1-CB 4.29Å; V325-D356 HydrophobicContact CG2-CB 4.18Å; V325-L389 HydrophobicContact CB-CD2 4.42Å; V325-L389 HydrophobicContact CG1-CD1 4.49Å; V325-L389 HydrophobicContact CG1-CD2 3.82Å; V325-L389 HydrophobicContact CG2-CD1 4.35Å
326H98.4Very high93.2Very high0 Ų048.9 Ų48.90%028%0.278CS..EExtended strand (participates in β ladder)trans-120.1113.2179-177.9-149.1000109.4V299 G301 A310 F328 M350 I355 D356 V357 R358V299-H326 WeakPolarHBondContact O-CA 3.46Å; V299-H326 PolarHBondContact O-CD2 3.27Å; G301-H326 PolarHBondContact O-NE2 3.3Å; A310-H326 HydrophobicContact CB-CB 4.01Å; H326-F328 AromaticContact CE1-CD1 3.66Å; H326-F328 AromaticContact CE1-CE1 3.55Å; H326-F328 AromaticContact ND1-CD1 4Å; H326-F328 AromaticContact ND1-CE1 3.6Å; H326-F328 AromaticContact NE2-CD1 3.68Å; H326-M350 VanDerWaalsContact ND1-CE 3.26Å; H326-M350 WeakPolarHBondContact ND1-CE 3.16Å; H326-I355 HydrophobicContact CB-CG2 3.92Å; H326-D356 PolarHBondContact N-O 3.07Å; H326-V357 HydrophobicContact CB-CG2 4.47Å; H326-V357 WeakPolarHBondContact O-CA 3.48Å; H326-R358 PolarHBondContact O-N 3.18Å
327I97.8Very high93.4Very high0 Ų048 Ų480%027%0.274CS..EExtended strand (participates in β ladder)trans-119144.6-175.469.4176.9000111.4T298 V299 V300 G301 V325 R358 T361 V363 L383 L389T298-I327 HydrophobicContact CG2-CD1 3.89Å; T298-I327 HydrophobicContact CG2-CG1 4.02Å; T298-I327 HydrophobicContact CG2-CG2 4.35Å; V299-I327 PolarHBondContact O-N 3.49Å; V300-I327 WeakPolarHBondContact CA-O 3.14Å; V300-I327 HydrophobicContact CB-CG1 4.32Å; V300-I327 HydrophobicContact CG1-CG1 4.3Å; V300-I327 HydrophobicContact CG2-CD1 3.94Å; V300-I327 HydrophobicContact CG2-CG1 3.86Å; G301-I327 PolarHBondContact N-O 2.84Å; V325-I327 HydrophobicContact CG1-CG2 3.8Å; I327-R358 WeakPolarHBondContact CA-O 3.44Å; I327-R358 HydrophobicContact CG2-CB 4.05Å; I327-R358 HydrophobicContact CG2-CG 4.42Å; I327-T361 HydrophobicContact CB-CG2 4.18Å; I327-T361 HydrophobicContact CG2-CG2 4.26Å; I327-V363 HydrophobicContact CD1-CG2 3.48Å; I327-V363 VanDerWaalsContact CD1-CG2 3.48Å; I327-L383 HydrophobicContact CD1-CD2 4.47Å; I327-L389 HydrophobicContact CG2-CD2 4.47Å
328F97.4Very high93.8Very high0 Ų048 Ų480%027%0.273CS..  trans-162.7150.9175.746.4-94.1000111.9G302 H326 Q330 C333 V347 V357 R358 P359 N360 T361G302-F328 VanDerWaalsContact N-CB 3.3Å; H326-F328 AromaticContact CE1-CD1 3.66Å; H326-F328 AromaticContact CE1-CE1 3.55Å; H326-F328 AromaticContact ND1-CD1 4Å; H326-F328 AromaticContact ND1-CE1 3.6Å; H326-F328 AromaticContact NE2-CD1 3.68Å; F328-Q330 VanDerWaalsContact C-N 3.29Å; F328-Q330 HydrophobicContact CD2-CB 4.29Å; F328-Q330 VanDerWaalsContact CD2-O 3.24Å; F328-Q330 WeakPolarHBondContact CD2-O 3.46Å; F328-Q330 WeakPolarHBondContact CE2-O 3.31Å; F328-Q330 PolarHBondContact O-N 2.84Å; F328-C333 HydrophobicContact CE1-CB 4.01Å; F328-C333 HydrophobicContact CE2-CB 4.45Å; F328-C333 HydrophobicContact CZ-CB 3.83Å; F328-V347 HydrophobicContact CZ-CG2 4.15Å; F328-V357 HydrophobicContact CE1-CG1 3.64Å; F328-V357 HydrophobicContact CZ-CG1 3.8Å; F328-R358 PolarHBondContact N-O 2.75Å; F328-P359 HydrophobicContact CD2-CB 4.4Å; F328-P359 HydrophobicContact CE2-CB 3.64Å; F328-P359 HydrophobicContact CE2-CG 3.96Å; F328-P359 HydrophobicContact CZ-CB 4.13Å; F328-P359 HydrophobicContact CZ-CG 3.93Å; F328-P359 CarbonylContact O-C 3.6Å; F328-N360 PolarHBondContact O-N 2.78Å; F328-T361 CarbonylContact C-O 3.54Å; F328-T361 PolarHBondContact N-O 2.99Å; F328-T361 PolarHBondContact O-N 3.32Å
329P95.7Very high94.2Very high70 Ų7046.2 Ų46.246%0.45526%0.258SS..SBendtrans-76-14.7-174.827.8-33.8000113.7
330Q96.3Very high94.6Very high80 Ų8045.4 Ų45.437%0.37424%0.239SC..SBendtrans-78.6158.6179-6182.423.700112.1F328 G332 S335 P359 N360F328-Q330 VanDerWaalsContact C-N 3.29Å; F328-Q330 HydrophobicContact CD2-CB 4.29Å; F328-Q330 VanDerWaalsContact CD2-O 3.24Å; F328-Q330 WeakPolarHBondContact CD2-O 3.46Å; F328-Q330 WeakPolarHBondContact CE2-O 3.31Å; F328-Q330 PolarHBondContact O-N 2.84Å; Q330-G332 PolarHBondContact O-N 2.77Å; Q330-S335 VanDerWaalsContact CB-OG 3.28Å; Q330-S335 WeakPolarHBondContact CB-OG 3.47Å; Q330-S335 WeakPolarHBondContact CG-OG 3.37Å; Q330-P359 WeakPolarHBondContact O-CB 3.31Å; Q330-N360 PolarHBondContact O-N 3.13Å
331A94Very high94.5Very high66 Ų6642.1 Ų42.155%0.54522%0.217SC..SBendtrans-64.3-22.1176.700000114P359 N360A331-P359 VanDerWaalsContact O-CB 3.3Å; A331-P359 WeakPolarHBondContact O-CB 3.18Å; A331-N360 WeakPolarHBondContact CA-OD1 3.17Å; A331-N360 PolarHBondContact N-OD1 3.46Å
332G94.3Very high94.7Very high2 Ų235 Ų352%0.02118%0.183CC..SBendtrans-155.3163.1176.600000112.7Q330 S335 S343Q330-G332 PolarHBondContact O-N 2.77Å; G332-S335 VanDerWaalsContact O-CB 3.26Å; G332-S335 WeakPolarHBondContact O-CB 3.46Å; G332-S335 PolarHBondContact O-OG 3.17Å; G332-S343 WeakPolarHBondContact CA-OG 3.45Å
333C95.5Very high94.6Very high0 Ų034.6 Ų34.60%018%0.182CC..THydrogen-bonded Turntrans-76.5151.9179.370.30000111.5T307 F328 S335 S343 V347T307-C333 HydrophobicContact CG2-CB 4.19Å; F328-C333 HydrophobicContact CE1-CB 4.01Å; F328-C333 HydrophobicContact CE2-CB 4.45Å; F328-C333 HydrophobicContact CZ-CB 3.83Å; C333-S335 PolarHBondContact O-N 3.44Å; C333-S343 PolarHBondContact N-OG 2.82Å; C333-S343 VanDerWaalsContact N-OG 3.14Å; C333-S343 WeakPolarHBondContact O-CB 3.35Å; C333-S343 PolarHBondContact O-OG 3.36Å; C333-V347 HydrophobicContact CB-CG2 4.25Å
334L95.8Very high94.4Very high2 Ų231.3 Ų31.31%0.0117%0.171CC..THydrogen-bonded Turntrans54.224.5-175.9-52.5175.1000113.2G302 G303 L304 T307 R336 F337 L338 L486 F492G302-L334 WeakPolarHBondContact O-CA 3.41Å; G302-L334 PolarHBondContact O-N 3.37Å; G303-L334 VanDerWaalsContact C-CD2 3.49Å; L304-L334 HydrophobicContact CD2-CD2 3.89Å; L304-L334 HydrophobicContact CG-CD2 4.21Å; T307-L334 HydrophobicContact CG2-CG 4.45Å; L334-R336 PolarHBondContact O-N 2.89Å; L334-F337 PolarHBondContact O-N 3.18Å; L334-L338 HydrophobicContact CB-CD1 3.73Å; L334-L338 HydrophobicContact CB-CG 3.76Å; L334-L338 HydrophobicContact CD1-CD1 3.87Å; L334-L338 HydrophobicContact CD1-CG 4.45Å; L334-L338 HydrophobicContact CG-CD1 4.42Å; L334-L338 PolarHBondContact O-N 2.93Å; L334-L486 HydrophobicContact CD1-CD1 4.06Å; L334-L486 HydrophobicContact CD1-CD2 4.44Å; L334-F492 HydrophobicContact CD1-CE1 3.55Å; L334-F492 HydrophobicContact CD1-CZ 3.72Å
335S93.8Very high94Very high37 Ų3733.7 Ų33.726%0.25918%0.18SC..THydrogen-bonded Turntrans-63.8-13.9-174.245.30000114.5Q330 G332 C333 F337 S500Q330-S335 VanDerWaalsContact CB-OG 3.28Å; Q330-S335 WeakPolarHBondContact CB-OG 3.47Å; Q330-S335 WeakPolarHBondContact CG-OG 3.37Å; G332-S335 VanDerWaalsContact O-CB 3.26Å; G332-S335 WeakPolarHBondContact O-CB 3.46Å; G332-S335 PolarHBondContact O-OG 3.17Å; C333-S335 PolarHBondContact O-N 3.44Å; S335-F337 VanDerWaalsContact C-N 3.35Å; S335-S500 WeakPolarHBondContact O-CB 3.4Å; S335-S500 PolarHBondContact O-OG 2.91Å
336R92.8Very high93.8Very high182 Ų18233.4 Ų33.469%0.68718%0.178SC*.THydrogen-bonded Turntrans-71.6-30.1168.3178176.9-76.9-167.6-4.1112.4L334 S499 S500L334-R336 PolarHBondContact O-N 2.89Å; R336-S499 WeakPolarHBondContact O-CA 3.26Å; R336-S500 PolarHBondContact O-N 3.24Å; R336-S500 PolarHBondContact O-OG 3.49Å
337F93.9Very high93.7Very high31 Ų3133.6 Ų33.614%0.13618%0.18CC..THydrogen-bonded Turntrans-110.3-41-171-53.6-65.4000111.9L304 L334 S335 F482 V498 Y543L304-F337 HydrophobicContact CD1-CE2 4.1Å; L304-F337 HydrophobicContact CD1-CZ 4.42Å; L304-F337 HydrophobicContact CG-CD2 4.46Å; L304-F337 HydrophobicContact CG-CE2 4Å; L334-F337 PolarHBondContact O-N 3.18Å; S335-F337 VanDerWaalsContact C-N 3.35Å; F337-F482 HydrophobicContact CB-CZ 4.25Å; F337-F482 HydrophobicContact CD1-CE1 4.25Å; F337-F482 HydrophobicContact CD1-CE2 4.28Å; F337-F482 AromaticContact CD1-CZ 3.53Å; F337-F482 HydrophobicContact CD1-CZ 3.53Å; F337-F482 HydrophobicContact CD2-CE2 4.38Å; F337-F482 HydrophobicContact CD2-CZ 4.41Å; F337-F482 HydrophobicContact CE1-CE1 4.36Å; F337-F482 AromaticContact CE1-CZ 3.91Å; F337-F482 HydrophobicContact CE1-CZ 3.91Å; F337-F482 HydrophobicContact CG-CE2 4.18Å; F337-F482 AromaticContact CG-CZ 3.81Å; F337-F482 HydrophobicContact CG-CZ 3.81Å; F337-F482 HydrophobicContact CZ-CZ 4.49Å; F337-V498 HydrophobicContact CB-CG1 4.15Å; F337-V498 WeakPolarHBondContact CD1-O 3.37Å; F337-Y543 PolarHBondContact O-OH 3.17Å
338L93.8Very high93.4Very high2 Ų237.1 Ų37.11%0.0120%0.198CC..SBendtrans-90.9142.9-174-58.5-172.7000111.5L334 L342 S500 L553 W555L334-L338 HydrophobicContact CB-CD1 3.73Å; L334-L338 HydrophobicContact CB-CG 3.76Å; L334-L338 HydrophobicContact CD1-CD1 3.87Å; L334-L338 HydrophobicContact CD1-CG 4.45Å; L334-L338 HydrophobicContact CG-CD1 4.42Å; L334-L338 PolarHBondContact O-N 2.93Å; L338-L342 HydrophobicContact CB-CB 4.17Å; L338-L342 HydrophobicContact CD1-CB 4.25Å; L338-S500 WeakPolarHBondContact O-CB 3.49Å; L338-L553 HydrophobicContact CD2-CD1 4.26Å; L338-L553 HydrophobicContact CD2-CD2 3.45Å; L338-L553 VanDerWaalsContact CD2-CD2 3.45Å; L338-W555 HydrophobicContact CD1-CH2 3.85Å; L338-W555 HydrophobicContact CD1-CZ3 3.96Å; L338-W555 HydrophobicContact CD2-CH2 4.5Å; L338-W555 HydrophobicContact CD2-CZ3 3.8Å
339P91.9Very high93.2Very high10 Ų1038.2 Ų38.27%0.06520%0.203CC..  trans-57.2151.3160.8-20.933.8000110.3Y341 L342 S343 T504 V541 Y543P339-Y341 VanDerWaalsContact C-N 3.28Å; P339-Y341 HydrophobicContact CB-CD1 3.64Å; P339-Y341 HydrophobicContact CB-CE1 3.26Å; P339-Y341 HydrophobicContact CG-CE1 3.85Å; P339-Y341 PolarHBondContact O-N 3.02Å; P339-L342 PolarHBondContact O-N 2.93Å; P339-S343 PolarHBondContact O-N 3.23Å; P339-T504 HydrophobicContact CG-CG2 4.07Å; P339-V541 HydrophobicContact CG-CG1 4.16Å; P339-Y543 WeakPolarHBondContact CD-OH 2.98Å
340S91.1Very high93.2Very high68 Ų6834.9 Ų34.948%0.47618%0.182SC..Hα-helixtrans-53-42.9-175.156.60000113.1L342 S343 D344S340-L342 VanDerWaalsContact C-N 3.32Å; S340-L342 PolarHBondContact O-N 2.76Å; S340-S343 CarbonylContact O-C 3.56Å; S340-S343 WeakPolarHBondContact O-CA 3.38Å; S340-S343 VanDerWaalsContact O-CB 3.29Å; S340-S343 WeakPolarHBondContact O-CB 3.5Å; S340-S343 PolarHBondContact O-N 3.01Å; S340-S343 VanDerWaalsContact O-N 3.09Å; S340-D344 PolarHBondContact O-N 3.32Å
341Y87.9Confident93.1Very high19 Ų1936.6 Ų36.68%0.07519%0.185CC..Hα-helixtrans-62.7-33.9-179.669-92.6000113.8P339 W345 F508 L520 F536P339-Y341 VanDerWaalsContact C-N 3.28Å; P339-Y341 HydrophobicContact CB-CD1 3.64Å; P339-Y341 HydrophobicContact CB-CE1 3.26Å; P339-Y341 HydrophobicContact CG-CE1 3.85Å; P339-Y341 PolarHBondContact O-N 3.02Å; Y341-W345 VanDerWaalsContact O-CB 3.31Å; Y341-W345 WeakPolarHBondContact O-CB 3.32Å; Y341-W345 PolarHBondContact O-N 2.99Å; Y341-W345 VanDerWaalsContact O-N 3.1Å; Y341-F508 AromaticContact CE2-CE2 3.66Å; Y341-F508 HydrophobicContact CE2-CE2 3.66Å; Y341-F508 AromaticContact CE2-CZ 3.74Å; Y341-F508 HydrophobicContact CE2-CZ 3.74Å; Y341-L520 HydrophobicContact CD1-CD1 3.47Å; Y341-L520 VanDerWaalsContact CD1-CD1 3.47Å; Y341-L520 HydrophobicContact CE1-CD1 3.7Å; Y341-F536 HydrophobicContact CD2-CD1 4.09Å; Y341-F536 AromaticContact CD2-CE1 3.48Å; Y341-F536 HydrophobicContact CD2-CE1 3.48Å; Y341-F536 VanDerWaalsContact CD2-CE1 3.48Å; Y341-F536 HydrophobicContact CD2-CE2 4.16Å; Y341-F536 AromaticContact CD2-CZ 3.51Å; Y341-F536 HydrophobicContact CD2-CZ 3.51Å; Y341-F536 HydrophobicContact CE2-CD1 4.05Å; Y341-F536 AromaticContact CE2-CE1 3.59Å; Y341-F536 HydrophobicContact CE2-CE1 3.59Å; Y341-F536 HydrophobicContact CE2-CZ 4.11Å; Y341-F536 HydrophobicContact CG-CZ 4.35Å
342L91.4Very high93.1Very high0 Ų040.3 Ų40.30%019%0.189CC..Hα-helixtrans-77.8-33.9173.6-76.1-171.3000111.8L338 P339 S340 S346 F508 F536 V541 L553 W555L338-L342 HydrophobicContact CB-CB 4.17Å; L338-L342 HydrophobicContact CD1-CB 4.25Å; P339-L342 PolarHBondContact O-N 2.93Å; S340-L342 VanDerWaalsContact C-N 3.32Å; S340-L342 PolarHBondContact O-N 2.76Å; L342-S346 VanDerWaalsContact O-CB 3.31Å; L342-S346 WeakPolarHBondContact O-CB 3.46Å; L342-S346 PolarHBondContact O-N 3.04Å; L342-S346 PolarHBondContact O-OG 3.34Å; L342-F508 HydrophobicContact CD1-CZ 4.1Å; L342-F508 HydrophobicContact CD2-CE1 3.82Å; L342-F508 HydrophobicContact CD2-CZ 3.72Å; L342-F508 HydrophobicContact CG-CZ 4.18Å; L342-F536 HydrophobicContact CD2-CB 4.05Å; L342-F536 HydrophobicContact CD2-CD1 4.06Å; L342-F536 HydrophobicContact CD2-CG 4.11Å; L342-V541 HydrophobicContact CD1-CG2 3.88Å; L342-L553 HydrophobicContact CD1-CD2 3.77Å; L342-W555 HydrophobicContact CB-CH2 4.49Å; L342-W555 HydrophobicContact CD1-CD2 4.25Å; L342-W555 HydrophobicContact CD1-CE3 4.07Å; L342-W555 HydrophobicContact CD1-CZ3 4.27Å; L342-W555 HydrophobicContact CD2-CD2 4.48Å; L342-W555 HydrophobicContact CD2-CZ2 4.15Å
343S93Very high93Very high2 Ų241.7 Ų41.71%0.01420%0.195CC..Hα-helixtrans-60.8-49.9173.5-171.40000110.6G332 C333 P339 S340 S346 V347G332-S343 WeakPolarHBondContact CA-OG 3.45Å; C333-S343 PolarHBondContact N-OG 2.82Å; C333-S343 VanDerWaalsContact N-OG 3.14Å; C333-S343 WeakPolarHBondContact O-CB 3.35Å; C333-S343 PolarHBondContact O-OG 3.36Å; P339-S343 PolarHBondContact O-N 3.23Å; S340-S343 CarbonylContact O-C 3.56Å; S340-S343 WeakPolarHBondContact O-CA 3.38Å; S340-S343 VanDerWaalsContact O-CB 3.29Å; S340-S343 WeakPolarHBondContact O-CB 3.5Å; S340-S343 PolarHBondContact O-N 3.01Å; S340-S343 VanDerWaalsContact O-N 3.09Å; S343-S346 WeakPolarHBondContact O-CB 3.13Å; S343-S346 PolarHBondContact O-N 2.75Å; S343-S346 VanDerWaalsContact O-N 3.15Å; S343-V347 WeakPolarHBondContact O-CG2 3.08Å; S343-V347 PolarHBondContact O-N 3Å
344D91.5Very high92.9Very high80 Ų8043.9 Ų43.943%0.42822%0.218SC..Hα-helixtrans-61.9-46.3177.1-63.2-23.2000111.2S340 S346 V347 D348S340-D344 PolarHBondContact O-N 3.32Å; D344-S346 PolarHBondContact O-N 2.79Å; D344-V347 PolarHBondContact O-N 2.95Å; D344-D348 PolarHBondContact O-N 3.21Å
345W90.6Very high93Very high51 Ų5144 Ų4419%0.19322%0.219CC..Hα-helixtrans-60-36.5176.1-171.289.9000112.3Y341 D348 H349 L490 F536 W555Y341-W345 VanDerWaalsContact O-CB 3.31Å; Y341-W345 WeakPolarHBondContact O-CB 3.32Å; Y341-W345 PolarHBondContact O-N 2.99Å; Y341-W345 VanDerWaalsContact O-N 3.1Å; W345-D348 PolarHBondContact O-N 2.91Å; W345-H349 HydrophobicContact CE3-CB 4.31Å; W345-H349 HydrophobicContact CZ3-CB 4.18Å; W345-H349 WeakPolarHBondContact O-CB 3.42Å; W345-H349 PolarHBondContact O-N 3.23Å; W345-L490 HydrophobicContact CE3-CD2 4.34Å; W345-L490 HydrophobicContact CZ3-CB 4.39Å; W345-L490 HydrophobicContact CZ3-CD1 4.15Å; W345-L490 HydrophobicContact CZ3-CD2 3.85Å; W345-L490 HydrophobicContact CZ3-CG 4.33Å; W345-F536 HydrophobicContact CB-CD2 4.21Å; W345-F536 AromaticContact CD1-CD2 3.55Å; W345-F536 HydrophobicContact CD2-CB 4Å; W345-F536 HydrophobicContact CG-CB 3.98Å; W345-F536 AromaticContact CG-CD2 3.94Å; W345-F536 HydrophobicContact CG-CD2 3.94Å; W345-F536 HydrophobicContact CG-CG 4.4Å; W345-W555 AromaticContact CE3-CZ2 3.91Å; W345-W555 HydrophobicContact CE3-CZ2 3.91Å; W345-W555 HydrophobicContact CZ3-CZ2 4.04Å
346S93.5Very high93.2Very high0 Ų045.4 Ų45.40%022%0.223CC..Hα-helixtrans-68.2-41.7176.6-60.50000111.8L342 S343 D344 H349 M350 W555L342-S346 VanDerWaalsContact O-CB 3.31Å; L342-S346 WeakPolarHBondContact O-CB 3.46Å; L342-S346 PolarHBondContact O-N 3.04Å; L342-S346 PolarHBondContact O-OG 3.34Å; S343-S346 WeakPolarHBondContact O-CB 3.13Å; S343-S346 PolarHBondContact O-N 2.75Å; S343-S346 VanDerWaalsContact O-N 3.15Å; D344-S346 PolarHBondContact O-N 2.79Å; S346-H349 WeakPolarHBondContact O-CB 3.22Å; S346-H349 PolarHBondContact O-N 3.1Å; S346-M350 VanDerWaalsContact O-CG 3.25Å; S346-M350 WeakPolarHBondContact O-CG 3.46Å; S346-M350 PolarHBondContact O-N 2.81Å; S346-W555 WeakPolarHBondContact OG-CH2 3.48Å
347V94.9Very high93.4Very high4 Ų436.9 Ų36.92%0.02419%0.191CC..Hα-helixtrans-59.9-46.2173.6169.60000110.7F328 C333 S343 D344 H349 M350 R351 V357 P359F328-V347 HydrophobicContact CZ-CG2 4.15Å; C333-V347 HydrophobicContact CB-CG2 4.25Å; S343-V347 WeakPolarHBondContact O-CG2 3.08Å; S343-V347 PolarHBondContact O-N 3Å; D344-V347 PolarHBondContact O-N 2.95Å; V347-H349 VanDerWaalsContact C-N 3.3Å; V347-H349 PolarHBondContact O-N 3.48Å; V347-M350 PolarHBondContact O-N 3.05Å; V347-R351 VanDerWaalsContact CG1-CZ 3.47Å; V347-R351 WeakPolarHBondContact O-CG 3.32Å; V347-R351 PolarHBondContact O-N 2.86Å; V347-V357 HydrophobicContact CG1-CB 4.16Å; V347-V357 HydrophobicContact CG1-CG1 3.87Å; V347-V357 HydrophobicContact CG2-CG1 4.3Å; V347-P359 HydrophobicContact CG1-CG 4.33Å
348D93.3Very high93.6Very high74 Ų7438.8 Ų38.840%0.39620%0.198SC..Hα-helixtrans-64.6-36.2176.4-76.7-12.3000112.4D344 W345 R351 K352D344-D348 PolarHBondContact O-N 3.21Å; W345-D348 PolarHBondContact O-N 2.91Å; D348-R351 IonicContact OD1-NH1 3.78Å; D348-K352 WeakPolarHBondContact O-CD 3.38Å; D348-K352 VanDerWaalsContact O-CG 3.26Å; D348-K352 WeakPolarHBondContact O-CG 3.5Å; D348-K352 PolarHBondContact O-N 2.96Å; D348-K352 VanDerWaalsContact O-N 3.12Å
349H92.4Very high93.8Very high22 Ų2240 Ų4010%0.10221%0.205CC..Hα-helixtrans-61.4-47173.3-171.963.5000111.3W345 S346 V347 K352 L353 S489W345-H349 HydrophobicContact CE3-CB 4.31Å; W345-H349 HydrophobicContact CZ3-CB 4.18Å; W345-H349 WeakPolarHBondContact O-CB 3.42Å; W345-H349 PolarHBondContact O-N 3.23Å; S346-H349 WeakPolarHBondContact O-CB 3.22Å; S346-H349 PolarHBondContact O-N 3.1Å; V347-H349 VanDerWaalsContact C-N 3.3Å; V347-H349 PolarHBondContact O-N 3.48Å; H349-K352 WeakPolarHBondContact O-CB 3.44Å; H349-K352 PolarHBondContact O-N 2.92Å; H349-L353 PolarHBondContact O-N 2.89Å; H349-S489 PolarHBondContact CE1-OG 3.23Å; H349-S489 PolarHBondContact NE2-OG 2.98Å
350M95.1Very high94.1Very high0 Ų044.4 Ų44.40%023%0.228CC..Hα-helixtrans-63.3-41.8178.3-71.617573.100112.5T307 A310 H326 S346 V347 K352 L353 G354 I355 V357 L486T307-M350 HydrophobicContact CG2-CE 3.73Å; T307-M350 HydrophobicContact CG2-SD 3.37Å; T307-M350 WeakPolarHBondContact CG2-SD 3.29Å; A310-M350 HydrophobicContact CB-CE 4.04Å; H326-M350 VanDerWaalsContact ND1-CE 3.26Å; H326-M350 WeakPolarHBondContact ND1-CE 3.16Å; S346-M350 VanDerWaalsContact O-CG 3.25Å; S346-M350 WeakPolarHBondContact O-CG 3.46Å; S346-M350 PolarHBondContact O-N 2.81Å; V347-M350 PolarHBondContact O-N 3.05Å; M350-K352 VanDerWaalsContact C-N 3.29Å; M350-K352 PolarHBondContact O-N 3.23Å; M350-L353 WeakPolarHBondContact O-CA 3.33Å; M350-L353 WeakPolarHBondContact O-CB 3.41Å; M350-L353 PolarHBondContact O-N 3.09Å; M350-G354 PolarHBondContact O-N 3.38Å; M350-I355 HydrophobicContact CB-CD1 4.09Å; M350-I355 HydrophobicContact CE-CD1 3.91Å; M350-I355 HydrophobicContact CG-CD1 4.38Å; M350-I355 PolarHBondContact O-N 3.24Å; M350-V357 HydrophobicContact CB-CG2 3.74Å; M350-V357 HydrophobicContact CE-CG2 4.27Å; M350-L486 HydrophobicContact SD-CD1 4.44Å
351R95.8Very high94.4Very high117 Ų11742 Ų4244%0.44221%0.211SC..Hα-helixtrans-60-39.2174-73.1173176.9151-2112.2V347 D348 L353 G354 V357V347-R351 VanDerWaalsContact CG1-CZ 3.47Å; V347-R351 WeakPolarHBondContact O-CG 3.32Å; V347-R351 PolarHBondContact O-N 2.86Å; D348-R351 IonicContact OD1-NH1 3.78Å; R351-L353 PolarHBondContact O-N 2.87Å; R351-G354 PolarHBondContact O-N 2.84Å; R351-V357 HydrophobicContact CG-CB 4.15Å; R351-V357 HydrophobicContact CG-CG2 4.12Å; R351-V357 PolarHBondContact NE-O 2.93Å; R351-V357 PolarHBondContact NH2-O 3.24Å
352K93.2Very high94.7Very high144 Ų14443 Ų4363%0.62622%0.22SC*.Hα-helixtrans-65.4-22.3174.8-70163.3-172.4164.20113.2D348 H349 M350 G354D348-K352 WeakPolarHBondContact O-CD 3.38Å; D348-K352 VanDerWaalsContact O-CG 3.26Å; D348-K352 WeakPolarHBondContact O-CG 3.5Å; D348-K352 PolarHBondContact O-N 2.96Å; D348-K352 VanDerWaalsContact O-N 3.12Å; H349-K352 WeakPolarHBondContact O-CB 3.44Å; H349-K352 PolarHBondContact O-N 2.92Å; M350-K352 VanDerWaalsContact C-N 3.29Å; M350-K352 PolarHBondContact O-N 3.23Å; K352-G354 VanDerWaalsContact C-N 3.27Å
353L92.5Very high94.8Very high31 Ų3143.7 Ų43.716%0.16223%0.225CC..THydrogen-bonded Turntrans-79.9-8172.2-62174.8000112.9Q314 H349 M350 R351Q314-L353 HydrophobicContact CG-CB 4.5Å; Q314-L353 VanDerWaalsContact CG-O 3.26Å; Q314-L353 WeakPolarHBondContact CG-O 3.21Å; H349-L353 PolarHBondContact O-N 2.89Å; M350-L353 WeakPolarHBondContact O-CA 3.33Å; M350-L353 WeakPolarHBondContact O-CB 3.41Å; M350-L353 PolarHBondContact O-N 3.09Å; R351-L353 PolarHBondContact O-N 2.87Å
354G93.9Very high94.7Very high46 Ų4647.6 Ų47.647%0.47425%0.249SC..THydrogen-bonded Turntrans102.54.7179.800000115Q314 M350 R351 K352Q314-G354 PolarHBondContact OE1-O 2.94Å; M350-G354 PolarHBondContact O-N 3.38Å; R351-G354 PolarHBondContact O-N 2.84Å; K352-G354 VanDerWaalsContact C-N 3.27Å
355I96.9Very high94.7Very high5 Ų546.7 Ų46.73%0.02624%0.243CC..  trans-79.6130.8-179.4-50.1176.4000109.7A310 Q314 V324 H326 M350 V357A310-I355 HydrophobicContact CB-CD1 4.33Å; Q314-I355 HydrophobicContact CB-CD1 4.02Å; Q314-I355 HydrophobicContact CB-CG1 3.68Å; Q314-I355 HydrophobicContact CG-CD1 4.35Å; Q314-I355 HydrophobicContact CG-CG1 3.62Å; V324-I355 HydrophobicContact CG1-CG2 4.25Å; H326-I355 HydrophobicContact CB-CG2 3.92Å; M350-I355 HydrophobicContact CB-CD1 4.09Å; M350-I355 HydrophobicContact CE-CD1 3.91Å; M350-I355 HydrophobicContact CG-CD1 4.38Å; M350-I355 PolarHBondContact O-N 3.24Å; I355-V357 HydrophobicContact CB-CG2 3.93Å; I355-V357 HydrophobicContact CG2-CG2 3.71Å; I355-V357 PolarHBondContact O-N 2.85Å; I355-V357 VanDerWaalsContact O-N 3.11Å
356D97.6Very high94.7Very high65 Ų6544.4 Ų44.435%0.34824%0.236SC..EExtended strand (participates in β ladder)trans-77.890.8168.1179.55.6000109.1V324 V325 H326 R358V324-D356 PolarHBondContact O-N 3.25Å; V325-D356 CarbonylContact C-O 3.55Å; V325-D356 WeakPolarHBondContact CA-O 3.26Å; V325-D356 HydrophobicContact CB-CB 4.48Å; V325-D356 HydrophobicContact CG1-CB 4.29Å; V325-D356 HydrophobicContact CG2-CB 4.18Å; H326-D356 PolarHBondContact N-O 3.07Å; D356-R358 WeakPolarHBondContact OD1-CG 3.26Å; D356-R358 IonicContact OD1-NE 3.19Å; D356-R358 PolarHBondContact OD1-NE 3.1Å; D356-R358 IonicContact OD2-CZ 3.25Å; D356-R358 IonicContact OD2-NE 2.94Å; D356-R358 PolarHBondContact OD2-NE 3.28Å; D356-R358 IonicContact OD2-NH2 3.16Å; D356-R358 PolarHBondContact OD2-NH2 2.57Å
357V98.3Very high94.6Very high3 Ų349.4 Ų49.42%0.01826%0.257CS..EExtended strand (participates in β ladder)trans-92.9118.9-179.6-169.20000110.5H326 F328 V347 M350 R351 I355 P359H326-V357 HydrophobicContact CB-CG2 4.47Å; H326-V357 WeakPolarHBondContact O-CA 3.48Å; F328-V357 HydrophobicContact CE1-CG1 3.64Å; F328-V357 HydrophobicContact CZ-CG1 3.8Å; V347-V357 HydrophobicContact CG1-CB 4.16Å; V347-V357 HydrophobicContact CG1-CG1 3.87Å; V347-V357 HydrophobicContact CG2-CG1 4.3Å; M350-V357 HydrophobicContact CB-CG2 3.74Å; M350-V357 HydrophobicContact CE-CG2 4.27Å; R351-V357 HydrophobicContact CG-CB 4.15Å; R351-V357 HydrophobicContact CG-CG2 4.12Å; R351-V357 PolarHBondContact NE-O 2.93Å; R351-V357 PolarHBondContact NH2-O 3.24Å; I355-V357 HydrophobicContact CB-CG2 3.93Å; I355-V357 HydrophobicContact CG2-CG2 3.71Å; I355-V357 PolarHBondContact O-N 2.85Å; I355-V357 VanDerWaalsContact O-N 3.11Å; V357-P359 WeakPolarHBondContact O-CD 3.27Å
358R97.5Very high94.4Very high72 Ų7251 Ų5127%0.27227%0.271SS..EExtended strand (participates in β ladder)trans-118.691.3179.5-49.7-173.2-176.6-1692.5111.4H326 I327 F328 D356 T361H326-R358 PolarHBondContact O-N 3.18Å; I327-R358 WeakPolarHBondContact CA-O 3.44Å; I327-R358 HydrophobicContact CG2-CB 4.05Å; I327-R358 HydrophobicContact CG2-CG 4.42Å; F328-R358 PolarHBondContact N-O 2.75Å; D356-R358 WeakPolarHBondContact OD1-CG 3.26Å; D356-R358 IonicContact OD1-NE 3.19Å; D356-R358 PolarHBondContact OD1-NE 3.1Å; D356-R358 IonicContact OD2-CZ 3.25Å; D356-R358 IonicContact OD2-NE 2.94Å; D356-R358 PolarHBondContact OD2-NE 3.28Å; D356-R358 IonicContact OD2-NH2 3.16Å; D356-R358 PolarHBondContact OD2-NH2 2.57Å; R358-T361 HydrophobicContact CB-CG2 4.48Å; R358-T361 WeakPolarHBondContact O-CB 3.44Å; R358-T361 PolarHBondContact O-OG1 3.38Å
359P97.7Very high93.9Very high26 Ų2650 Ų5017%0.16926%0.262CS..SBendtrans-64.7167.9168-18.331.9000112.2F328 Q330 A331 V347 V357 T361F328-P359 HydrophobicContact CD2-CB 4.4Å; F328-P359 HydrophobicContact CE2-CB 3.64Å; F328-P359 HydrophobicContact CE2-CG 3.96Å; F328-P359 HydrophobicContact CZ-CB 4.13Å; F328-P359 HydrophobicContact CZ-CG 3.93Å; F328-P359 CarbonylContact O-C 3.6Å; Q330-P359 WeakPolarHBondContact O-CB 3.31Å; A331-P359 VanDerWaalsContact O-CB 3.3Å; A331-P359 WeakPolarHBondContact O-CB 3.18Å; V347-P359 HydrophobicContact CG1-CG 4.33Å; V357-P359 WeakPolarHBondContact O-CD 3.27Å; P359-T361 PolarHBondContact O-N 3.36Å; P359-T361 VanDerWaalsContact O-N 3.14Å; P359-T361 PolarHBondContact O-OG1 3.17Å
360N97.5Very high93.1Very high103 Ų10352.7 Ų52.755%0.55128%0.283SS*.SBendtrans48.737.5-179.8-50.5-68.3000113.1F328 Q330 A331F328-N360 PolarHBondContact O-N 2.78Å; Q330-N360 PolarHBondContact O-N 3.13Å; A331-N360 WeakPolarHBondContact CA-OD1 3.17Å; A331-N360 PolarHBondContact N-OD1 3.46Å
361T97.3Very high91.7Very high17 Ų1754.4 Ų54.410%0.10429%0.292CS..  trans-128.6125.4-174.7-58.20000109.7I327 F328 R358 P359 L383I327-T361 HydrophobicContact CB-CG2 4.18Å; I327-T361 HydrophobicContact CG2-CG2 4.26Å; F328-T361 CarbonylContact C-O 3.54Å; F328-T361 PolarHBondContact N-O 2.99Å; F328-T361 PolarHBondContact O-N 3.32Å; R358-T361 HydrophobicContact CB-CG2 4.48Å; R358-T361 WeakPolarHBondContact O-CB 3.44Å; R358-T361 PolarHBondContact O-OG1 3.38Å; P359-T361 PolarHBondContact O-N 3.36Å; P359-T361 VanDerWaalsContact O-N 3.14Å; P359-T361 PolarHBondContact O-OG1 3.17Å; T361-L383 HydrophobicContact CG2-CB 4.39Å; T361-L383 HydrophobicContact CG2-CD1 3.78Å; T361-L383 HydrophobicContact CG2-CD2 3.9Å; T361-L383 HydrophobicContact CG2-CG 4.24Å
362S94.8Very high90.1Very high40 Ų4057.6 Ų57.628%0.2831%0.312SS..  trans-122.6146.4178.1-41.80000110.5L383 D384S362-L383 WeakPolarHBondContact O-CA 3.19Å; S362-D384 WeakPolarHBondContact CB-OD2 3.31Å; S362-D384 VanDerWaalsContact N-CG 3.26Å; S362-D384 PolarHBondContact N-OD1 3.36Å; S362-D384 PolarHBondContact N-OD2 2.82Å; S362-D384 VanDerWaalsContact N-OD2 3.12Å; S362-D384 PolarHBondContact O-N 3.15Å; S362-D384 PolarHBondContact OG-OD2 2.8Å
363V92.9Very high88.5Confident16 Ų1660 Ų6010%0.09733%0.326CS..EExtended strand (participates in β ladder)trans-82.9125169.5-1780000108.1I327 L381 L383I327-V363 HydrophobicContact CD1-CG2 3.48Å; I327-V363 VanDerWaalsContact CD1-CG2 3.48Å; V363-L381 HydrophobicContact CG1-CB 4.45Å; V363-L381 HydrophobicContact CG1-CD2 3.98Å; V363-L381 HydrophobicContact CG2-CD1 4.07Å; V363-L383 HydrophobicContact CG2-CD2 4.44Å
364V91.3Very high86.9Confident84 Ų8461 Ų6151%0.50934%0.338SS..EExtended strand (participates in β ladder)trans-102.3-39178.6179.20000111.3D382 D384V364-D382 PolarHBondContact N-O 2.84Å; V364-D384 HydrophobicContact CG2-CB 3.8Å
365D90.9Very high85.2Confident60 Ų6064.1 Ų64.132%0.32135%0.353SS..EExtended strand (participates in β ladder)trans-150.3165.6178-172.323.8000109.9L267 K367 D382L267-D365 WeakPolarHBondContact CD2-OD1 3.39Å; D365-K367 IonicContact OD2-NZ 2.69Å; D365-K367 PolarHBondContact OD2-NZ 3.3Å; D365-D382 HydrophobicContact CB-CB 4.09Å; D365-D382 PolarHBondContact N-O 2.57Å; D365-D382 PolarHBondContact O-N 2.81Å
366A92.4Very high83.7Confident4 Ų467.3 Ų67.33%0.03337%0.369CS..EExtended strand (participates in β ladder)trans-147.8139.3175.200000112.4L267 F275 L379 I380 L381L267-A366 HydrophobicContact CD1-CB 3.84Å; L267-A366 HydrophobicContact CD2-CB 4.18Å; F275-A366 HydrophobicContact CE2-CB 4.06Å; F275-A366 HydrophobicContact CZ-CB 3.86Å; A366-L379 HydrophobicContact CB-CD1 3.93Å; A366-L379 HydrophobicContact CB-CD2 4.18Å; A366-L379 HydrophobicContact CB-CG 4.13Å; A366-I380 CarbonylContact C-O 3.59Å; A366-I380 VanDerWaalsContact CA-O 3.27Å; A366-I380 WeakPolarHBondContact CA-O 3.44Å; A366-L381 HydrophobicContact CB-CD2 3.65Å
367K91.2Very high82.2Confident104 Ų10466.3 Ų66.345%0.45237%0.367SS..EExtended strand (participates in β ladder)trans-128127.4179.7-64.9-177.5-175.465.90110.9D365 I380 D382D365-K367 IonicContact OD2-NZ 2.69Å; D365-K367 PolarHBondContact OD2-NZ 3.3Å; K367-I380 PolarHBondContact N-O 3.1Å; K367-I380 PolarHBondContact O-N 3.09Å; K367-D382 IonicContact NZ-OD2 3.02Å; K367-D382 PolarHBondContact NZ-OD2 3.35Å
368A89.2Confident81.6Confident37 Ų3768.6 Ų68.631%0.30638%0.375SS..EExtended strand (participates in β ladder)trans-73.5142169.400000110D270 A271 Y274 R378D270-A368 HydrophobicContact CB-CB 4.36Å; A271-A368 HydrophobicContact CB-CB 4.46Å; Y274-A368 HydrophobicContact CE2-CB 4.12Å; A368-R378 CarbonylContact C-O 3.56Å; A368-R378 WeakPolarHBondContact CA-O 3.45Å
369Y82.6Confident81.3Confident54 Ų5465.2 Ų65.221%0.21236%0.362CS..EExtended strand (participates in β ladder)trans-141144.1173.274-79.3000110.4I371 S377 R378 I380Y369-I371 HydrophobicContact CD2-CG1 4.2Å; Y369-I371 HydrophobicContact CE2-CD1 4.04Å; Y369-I371 HydrophobicContact CE2-CG1 3.66Å; Y369-S377 CarbonylContact O-C 3.58Å; Y369-S377 WeakPolarHBondContact O-CA 3.29Å; Y369-R378 HydrophobicContact CD1-CB 4.08Å; Y369-R378 VanDerWaalsContact CD1-O 3.31Å; Y369-R378 WeakPolarHBondContact CD1-O 3.41Å; Y369-R378 HydrophobicContact CE1-CB 3.39Å; Y369-R378 HydrophobicContact CE2-CB 4.31Å; Y369-R378 PolarHBondContact N-O 3.01Å; Y369-R378 PolarHBondContact O-N 3.38Å; Y369-R378 WeakPolarHBondContact OH-CD 3.16Å; Y369-I380 HydrophobicContact CD1-CD1 3.67Å; Y369-I380 HydrophobicContact CD1-CG1 3.55Å; Y369-I380 HydrophobicContact CE1-CD1 3.84Å; Y369-I380 HydrophobicContact CE1-CG1 3.43Å; Y369-I380 VanDerWaalsContact CE1-CG1 3.43Å; Y369-I380 HydrophobicContact CG-CD1 4.22Å
370S76.1Confident81.1Confident78 Ų7865.6 Ų65.655%0.54536%0.363SS..EExtended strand (participates in β ladder)trans-91.1142.4176.2-170.80000110.7
371I66.7Low81Confident36 Ų3660.7 Ų60.719%0.18534%0.337CS..EExtended strand (participates in β ladder)trans-103.6106167.6-57173.4000107.2Y369 E373 A374 S375 I376 R378Y369-I371 HydrophobicContact CD2-CG1 4.2Å; Y369-I371 HydrophobicContact CE2-CD1 4.04Å; Y369-I371 HydrophobicContact CE2-CG1 3.66Å; I371-E373 VanDerWaalsContact C-N 3.26Å; I371-E373 PolarHBondContact O-N 2.85Å; I371-A374 HydrophobicContact CG2-CB 4.39Å; I371-A374 PolarHBondContact O-N 3.04Å; I371-A374 VanDerWaalsContact O-N 3.14Å; I371-S375 PolarHBondContact O-N 2.91Å; I371-S375 VanDerWaalsContact O-N 3.08Å; I371-I376 PolarHBondContact N-O 3.02Å; I371-R378 HydrophobicContact CD1-CG 4.07Å; I371-R378 VanDerWaalsContact CD1-CZ 3.44Å
372E62.5Low80.8Confident185 Ų18561.1 Ų61.186%0.86434%0.338SS*.THydrogen-bonded Turntrans-53.6-41.4-176.2-65.2-177.517600112.6A374E372-A374 VanDerWaalsContact C-N 3.25Å; E372-A374 PolarHBondContact O-N 2.9Å
373E58.6Low80.8Confident195 Ų19559.7 Ų59.791%0.91133%0.327SS*.THydrogen-bonded Turntrans-66.9-19.9-176.8-66.1175.9170.100114.4I371I371-E373 VanDerWaalsContact C-N 3.26Å; I371-E373 PolarHBondContact O-N 2.85Å
374A58.9Low80.9Confident50 Ų5062.6 Ų62.641%0.41334%0.342SS..THydrogen-bonded Turntrans-124.4-7.3-172.800000114.4I371 E372 I376I371-A374 HydrophobicContact CG2-CB 4.39Å; I371-A374 PolarHBondContact O-N 3.04Å; I371-A374 VanDerWaalsContact O-N 3.14Å; E372-A374 VanDerWaalsContact C-N 3.25Å; E372-A374 PolarHBondContact O-N 2.9Å; A374-I376 HydrophobicContact CB-CB 4.2Å; A374-I376 HydrophobicContact CB-CD1 3.79Å; A374-I376 HydrophobicContact CB-CG1 3.83Å; A374-I376 WeakPolarHBondContact O-CG1 3.48Å; A374-I376 PolarHBondContact O-N 3.08Å; A374-I376 VanDerWaalsContact O-N 3.08Å
375S59.4Low81Confident113 Ų11362 Ų6279%0.7934%0.342SS*.THydrogen-bonded Turntrans52.125.4-167.7-57.80000113.2I371I371-S375 PolarHBondContact O-N 2.91Å; I371-S375 VanDerWaalsContact O-N 3.08Å
376I63.8Low81.2Confident72 Ų7262.1 Ų62.137%0.36936%0.358SS..EExtended strand (participates in β ladder)trans-101.9119.1178-59.9171000107.3I371 A374 R378I371-I376 PolarHBondContact N-O 3.02Å; A374-I376 HydrophobicContact CB-CB 4.2Å; A374-I376 HydrophobicContact CB-CD1 3.79Å; A374-I376 HydrophobicContact CB-CG1 3.83Å; A374-I376 WeakPolarHBondContact O-CG1 3.48Å; A374-I376 PolarHBondContact O-N 3.08Å; A374-I376 VanDerWaalsContact O-N 3.08Å; I376-R378 HydrophobicContact CG2-CG 4.06Å
377S66.7Low81.3Confident44 Ų4466.7 Ų66.731%0.30838%0.381SS..EExtended strand (participates in β ladder)trans-88.2133.8168.3-70.90000109.5Y274 Y369Y274-S377 WeakPolarHBondContact OH-CB 3.49Å; Y274-S377 PolarHBondContact OH-O 2.99Å; Y369-S377 CarbonylContact O-C 3.58Å; Y369-S377 WeakPolarHBondContact O-CA 3.29Å
378R85.2Confident81.5Confident51 Ų5168.2 Ų68.219%0.19239%0.388CS..EExtended strand (participates in β ladder)trans-125.5169.9-178-68.6-162.5177.6131.315.7110.7A368 Y369 I371 I376 D392A368-R378 CarbonylContact C-O 3.56Å; A368-R378 WeakPolarHBondContact CA-O 3.45Å; Y369-R378 HydrophobicContact CD1-CB 4.08Å; Y369-R378 VanDerWaalsContact CD1-O 3.31Å; Y369-R378 WeakPolarHBondContact CD1-O 3.41Å; Y369-R378 HydrophobicContact CE1-CB 3.39Å; Y369-R378 HydrophobicContact CE2-CB 4.31Å; Y369-R378 PolarHBondContact N-O 3.01Å; Y369-R378 PolarHBondContact O-N 3.38Å; Y369-R378 WeakPolarHBondContact OH-CD 3.16Å; I371-R378 HydrophobicContact CD1-CG 4.07Å; I371-R378 VanDerWaalsContact CD1-CZ 3.44Å; I376-R378 HydrophobicContact CG2-CG 4.06Å; R378-D392 WeakPolarHBondContact CD-OD1 3.35Å; R378-D392 WeakPolarHBondContact CG-OD1 3.18Å; R378-D392 IonicContact CZ-OD1 3.89Å; R378-D392 IonicContact NE-OD1 2.79Å; R378-D392 PolarHBondContact NE-OD1 3.15Å
379L92.3Very high81.8Confident0 Ų067 Ų670%038%0.376CS..EExtended strand (participates in β ladder)trans-110.5136.1177.7-163.872.3000110.9A271 Y274 F275 A366 L381 K390 T391 V394A271-L379 HydrophobicContact CB-CD1 3.99Å; Y274-L379 HydrophobicContact CD2-CD1 4.27Å; F275-L379 HydrophobicContact CD2-CD2 4.29Å; F275-L379 HydrophobicContact CE2-CD1 4.33Å; F275-L379 HydrophobicContact CE2-CD2 3.48Å; F275-L379 VanDerWaalsContact CE2-CD2 3.48Å; F275-L379 HydrophobicContact CZ-CD2 3.65Å; A366-L379 HydrophobicContact CB-CD1 3.93Å; A366-L379 HydrophobicContact CB-CD2 4.18Å; A366-L379 HydrophobicContact CB-CG 4.13Å; L379-L381 HydrophobicContact CD2-CD2 3.4Å; L379-L381 HydrophobicContact CD2-CG 4.26Å; L379-L381 HydrophobicContact CG-CD2 3.98Å; L379-K390 WeakPolarHBondContact O-CA 2.93Å; L379-T391 HydrophobicContact CB-CG2 4.03Å; L379-T391 HydrophobicContact CD2-CG2 4.2Å; L379-T391 PolarHBondContact N-O 2.75Å; L379-T391 PolarHBondContact O-N 2.94Å; L379-V394 HydrophobicContact CD2-CG2 3.61Å
380I93.4Very high82.3Confident35 Ų3570.7 Ų70.718%0.17939%0.393CS..EExtended strand (participates in β ladder)trans-104.8119162.7-64.9167000107.3A366 K367 Y369 K388 L389 K390A366-I380 CarbonylContact C-O 3.59Å; A366-I380 VanDerWaalsContact CA-O 3.27Å; A366-I380 WeakPolarHBondContact CA-O 3.44Å; K367-I380 PolarHBondContact N-O 3.1Å; K367-I380 PolarHBondContact O-N 3.09Å; Y369-I380 HydrophobicContact CD1-CD1 3.67Å; Y369-I380 HydrophobicContact CD1-CG1 3.55Å; Y369-I380 HydrophobicContact CE1-CD1 3.84Å; Y369-I380 HydrophobicContact CE1-CG1 3.43Å; Y369-I380 VanDerWaalsContact CE1-CG1 3.43Å; Y369-I380 HydrophobicContact CG-CD1 4.22Å; I380-K388 HydrophobicContact CG2-CB 3.88Å; I380-K388 HydrophobicContact CG2-CD 4.05Å; I380-K388 HydrophobicContact CG2-CG 4.21Å; I380-L389 CarbonylContact C-O 3.6Å; I380-L389 WeakPolarHBondContact CA-O 3.41Å; I380-K390 HydrophobicContact CG1-CG 4.05Å
381L94.4Very high83.3Confident0 Ų067 Ų670%037%0.367CS..EExtended strand (participates in β ladder)trans-87.9125.2169.6-56.7179.9000109F275 T298 V363 A366 L379 L383 K388 L389 T391 V394F275-L381 HydrophobicContact CE1-CD2 4.47Å; F275-L381 HydrophobicContact CZ-CD2 3.87Å; T298-L381 HydrophobicContact CG2-CD1 4.14Å; V363-L381 HydrophobicContact CG1-CB 4.45Å; V363-L381 HydrophobicContact CG1-CD2 3.98Å; V363-L381 HydrophobicContact CG2-CD1 4.07Å; A366-L381 HydrophobicContact CB-CD2 3.65Å; L379-L381 HydrophobicContact CD2-CD2 3.4Å; L379-L381 HydrophobicContact CD2-CG 4.26Å; L379-L381 HydrophobicContact CG-CD2 3.98Å; L381-L383 HydrophobicContact CB-CD2 4.23Å; L381-K388 WeakPolarHBondContact O-CA 3.31Å; L381-L389 HydrophobicContact CB-CB 4.26Å; L381-L389 HydrophobicContact CD1-CD2 4.2Å; L381-L389 PolarHBondContact N-O 2.69Å; L381-L389 PolarHBondContact O-N 2.91Å; L381-T391 HydrophobicContact CD1-CG2 4.01Å; L381-T391 HydrophobicContact CG-CG2 4.07Å; L381-V394 HydrophobicContact CD1-CG2 4.04Å; L381-V394 HydrophobicContact CD2-CG2 4.16Å
382D94.1Very high84.6Confident26 Ų2666.3 Ų66.314%0.13936%0.364CS..EExtended strand (participates in β ladder)trans-86.9118167.4-66-42.1000107.7V364 D365 K367 K388V364-D382 PolarHBondContact N-O 2.84Å; D365-D382 HydrophobicContact CB-CB 4.09Å; D365-D382 PolarHBondContact N-O 2.57Å; D365-D382 PolarHBondContact O-N 2.81Å; K367-D382 IonicContact NZ-OD2 3.02Å; K367-D382 PolarHBondContact NZ-OD2 3.35Å; D382-K388 WeakPolarHBondContact OD1-CE 3.43Å; D382-K388 IonicContact OD1-NZ 2.73Å; D382-K388 PolarHBondContact OD1-NZ 2.75Å; D382-K388 IonicContact OD2-NZ 3.96Å
383L95.3Very high86.2Confident9 Ų957.8 Ų57.85%0.04732%0.324CS..EExtended strand (participates in β ladder)trans-92.5159.2-176.4-55.1179.6000111.3I327 T361 S362 V363 L381 S385 G386 D387 L389I327-L383 HydrophobicContact CD1-CD2 4.47Å; T361-L383 HydrophobicContact CG2-CB 4.39Å; T361-L383 HydrophobicContact CG2-CD1 3.78Å; T361-L383 HydrophobicContact CG2-CD2 3.9Å; T361-L383 HydrophobicContact CG2-CG 4.24Å; S362-L383 WeakPolarHBondContact O-CA 3.19Å; V363-L383 HydrophobicContact CG2-CD2 4.44Å; L381-L383 HydrophobicContact CB-CD2 4.23Å; L383-S385 PolarHBondContact O-N 3.41Å; L383-G386 PolarHBondContact O-N 3.32Å; L383-D387 WeakPolarHBondContact CB-O 3.46Å; L383-D387 HydrophobicContact CD1-CB 4.19Å; L383-D387 PolarHBondContact N-O 2.9Å; L383-L389 HydrophobicContact CD1-CB 4.2Å
384D94.3Very high88Confident77 Ų7748.5 Ų48.541%0.41228%0.281SS..THydrogen-bonded Turntrans-62.2-23.8176.354.9-9000114S362 V364 G386S362-D384 WeakPolarHBondContact CB-OD2 3.31Å; S362-D384 VanDerWaalsContact N-CG 3.26Å; S362-D384 PolarHBondContact N-OD1 3.36Å; S362-D384 PolarHBondContact N-OD2 2.82Å; S362-D384 VanDerWaalsContact N-OD2 3.12Å; S362-D384 PolarHBondContact O-N 3.15Å; S362-D384 PolarHBondContact OG-OD2 2.8Å; V364-D384 HydrophobicContact CG2-CB 3.8Å; D384-G386 PolarHBondContact O-N 3.19Å
385S94.1Very high89.8Confident73 Ų7346.1 Ų46.151%0.5126%0.261SS..THydrogen-bonded Turntrans-70.7-14.6170.866.10000114.1L383 D387L383-S385 PolarHBondContact O-N 3.41Å; S385-D387 VanDerWaalsContact C-N 3.32Å; S385-D387 VanDerWaalsContact OG-CB 3.31Å; S385-D387 WeakPolarHBondContact OG-CB 3.39Å; S385-D387 VanDerWaalsContact OG-CG 3.27Å; S385-D387 PolarHBondContact OG-N 3.26Å; S385-D387 PolarHBondContact OG-OD2 3.4Å
386G93.3Very high91.6Very high62 Ų6241 Ų4164%0.63923%0.225SC*.SBendtrans88.3-6-167.400000114.1L383 D384L383-G386 PolarHBondContact O-N 3.32Å; D384-G386 PolarHBondContact O-N 3.19Å
387D95Very high93.2Very high99 Ų9937.9 Ų37.953%0.52921%0.21SC..  trans-71156.3174.3-65.8-46.9000111.9L383 S385L383-D387 WeakPolarHBondContact CB-O 3.46Å; L383-D387 HydrophobicContact CD1-CB 4.19Å; L383-D387 PolarHBondContact N-O 2.9Å; S385-D387 VanDerWaalsContact C-N 3.32Å; S385-D387 VanDerWaalsContact OG-CB 3.31Å; S385-D387 WeakPolarHBondContact OG-CB 3.39Å; S385-D387 VanDerWaalsContact OG-CG 3.27Å; S385-D387 PolarHBondContact OG-N 3.26Å; S385-D387 PolarHBondContact OG-OD2 3.4Å
388K95.1Very high94.6Very high137 Ų13738.3 Ų38.360%0.59621%0.208SC*.EExtended strand (participates in β ladder)trans-112.6131.4175.1-62.4-171.7-179.5-104.40110.8I380 L381 D382I380-K388 HydrophobicContact CG2-CB 3.88Å; I380-K388 HydrophobicContact CG2-CD 4.05Å; I380-K388 HydrophobicContact CG2-CG 4.21Å; L381-K388 WeakPolarHBondContact O-CA 3.31Å; D382-K388 WeakPolarHBondContact OD1-CE 3.43Å; D382-K388 IonicContact OD1-NZ 2.73Å; D382-K388 PolarHBondContact OD1-NZ 2.75Å; D382-K388 IonicContact OD2-NZ 3.96Å
389L95.2Very high95Very high11 Ų1137.6 Ų37.66%0.05822%0.217CC..EExtended strand (participates in β ladder)trans-115.7121.1177.5176.164.5000110.7T298 V325 I327 I380 L381 L383T298-L389 HydrophobicContact CG2-CD2 4.18Å; V325-L389 HydrophobicContact CB-CD2 4.42Å; V325-L389 HydrophobicContact CG1-CD1 4.49Å; V325-L389 HydrophobicContact CG1-CD2 3.82Å; V325-L389 HydrophobicContact CG2-CD1 4.35Å; I327-L389 HydrophobicContact CG2-CD2 4.47Å; I380-L389 CarbonylContact C-O 3.6Å; I380-L389 WeakPolarHBondContact CA-O 3.41Å; L381-L389 HydrophobicContact CB-CB 4.26Å; L381-L389 HydrophobicContact CD1-CD2 4.2Å; L381-L389 PolarHBondContact N-O 2.69Å; L381-L389 PolarHBondContact O-N 2.91Å; L383-L389 HydrophobicContact CD1-CB 4.2Å
390K94.9Very high95.2Very high132 Ų13238.5 Ų38.557%0.57422%0.222SC*.EExtended strand (participates in β ladder)trans-86.7128.5174.1-70.9174.8177.4179.80110.3C296 L379 I380C296-K390 PolarHBondContact SG-O 3.35Å; C296-K390 VanDerWaalsContact SG-O 3.41Å; L379-K390 WeakPolarHBondContact O-CA 2.93Å; I380-K390 HydrophobicContact CG1-CG 4.05Å
391T95.8Very high95.3Very high0 Ų040.5 Ų40.50%023%0.231CC..EExtended strand (participates in β ladder)trans-147.1154.1179.4-168.90000110.7C296 T298 L379 L381 H393 V394C296-T391 PolarHBondContact O-OG1 3.2Å; T298-T391 PolarHBondContact N-OG1 2.75Å; T298-T391 VanDerWaalsContact OG1-CB 3.26Å; T298-T391 WeakPolarHBondContact OG1-CB 3.02Å; T298-T391 PolarHBondContact OG1-OG1 3.24Å; L379-T391 HydrophobicContact CB-CG2 4.03Å; L379-T391 HydrophobicContact CD2-CG2 4.2Å; L379-T391 PolarHBondContact N-O 2.75Å; L379-T391 PolarHBondContact O-N 2.94Å; L381-T391 HydrophobicContact CD1-CG2 4.01Å; L381-T391 HydrophobicContact CG-CG2 4.07Å; T391-H393 PolarHBondContact OG1-O 2.88Å; T391-H393 VanDerWaalsContact OG1-O 3.1Å; T391-V394 HydrophobicContact CG2-CG2 3.67Å
392D94.3Very high95.5Very high21 Ų2141.5 Ų41.511%0.11224%0.237CC..SBendtrans-92.1-24.2176.7-54.7-55.8000111.8Y274 A294 K295 C296 R378Y274-D392 VanDerWaalsContact CD1-O 3.24Å; Y274-D392 WeakPolarHBondContact CD1-O 3.5Å; A294-D392 HydrophobicContact CB-CB 4.04Å; K295-D392 VanDerWaalsContact CA-OD2 3.3Å; K295-D392 WeakPolarHBondContact CA-OD2 3.21Å; K295-D392 WeakPolarHBondContact CB-OD2 3.49Å; K295-D392 PolarHBondContact N-OD2 2.99Å; C296-D392 PolarHBondContact N-OD2 2.84Å; C296-D392 PolarHBondContact O-N 3.48Å; R378-D392 WeakPolarHBondContact CD-OD1 3.35Å; R378-D392 WeakPolarHBondContact CG-OD1 3.18Å; R378-D392 IonicContact CZ-OD1 3.89Å; R378-D392 IonicContact NE-OD1 2.79Å; R378-D392 PolarHBondContact NE-OD1 3.15Å
393H95.7Very high95.7Very high6 Ų642.4 Ų42.43%0.02824%0.242CC..EExtended strand (participates in β ladder)trans-158.6148.5179.7-164.277000111.8Y274 S276 V290 T298 T391Y274-H393 PolarHBondContact O-CE1 3.41Å; Y274-H393 PolarHBondContact O-ND1 3.11Å; Y274-H393 VanDerWaalsContact O-ND1 3.16Å; S276-H393 WeakPolarHBondContact CB-NE2 3.47Å; S276-H393 PolarHBondContact OG-NE2 2.87Å; V290-H393 HydrophobicContact CG1-CB 3.46Å; V290-H393 VanDerWaalsContact CG1-CB 3.46Å; T298-H393 PolarHBondContact N-O 3.31Å; T391-H393 PolarHBondContact OG1-O 2.88Å; T391-H393 VanDerWaalsContact OG1-O 3.1Å
394V96.7Very high95.8Very high0 Ų043 Ų430%025%0.246CC..EExtended strand (participates in β ladder)trans-123.5124.6-179.4-173.50000110.6Y274 F275 S276 T298 V300 L379 L381 T391 M396Y274-V394 PolarHBondContact O-N 2.93Å; F275-V394 CarbonylContact C-O 3.51Å; F275-V394 WeakPolarHBondContact CA-O 3.27Å; F275-V394 HydrophobicContact CD1-CB 3.6Å; F275-V394 HydrophobicContact CD1-CG1 3.65Å; F275-V394 HydrophobicContact CD1-CG2 4.27Å; F275-V394 HydrophobicContact CE1-CB 3.75Å; F275-V394 HydrophobicContact CE1-CG1 3.64Å; F275-V394 HydrophobicContact CE1-CG2 3.98Å; F275-V394 HydrophobicContact CG-CB 4.2Å; F275-V394 HydrophobicContact CZ-CB 4.45Å; F275-V394 HydrophobicContact CZ-CG2 4.26Å; S276-V394 PolarHBondContact N-O 2.68Å; T298-V394 CarbonylContact O-C 3.58Å; T298-V394 VanDerWaalsContact O-CA 3.28Å; T298-V394 WeakPolarHBondContact O-CA 3.28Å; V300-V394 HydrophobicContact CG2-CG1 3.51Å; L379-V394 HydrophobicContact CD2-CG2 3.61Å; L381-V394 HydrophobicContact CD1-CG2 4.04Å; L381-V394 HydrophobicContact CD2-CG2 4.16Å; T391-V394 HydrophobicContact CG2-CG2 3.67Å; V394-M396 HydrophobicContact CG1-SD 3.98Å
395V97.5Very high96Very high0 Ų044.3 Ų44.30%025%0.25CC..EExtended strand (participates in β ladder)trans-102.9120.4174.5-172.10000110.4S276 F278 L287 V297 T298 V300 L309 A397S276-V395 CarbonylContact O-C 3.49Å; S276-V395 WeakPolarHBondContact O-CA 3.04Å; F278-V395 HydrophobicContact CB-CG1 3.85Å; L287-V395 HydrophobicContact CD1-CG2 3.55Å; L287-V395 HydrophobicContact CD2-CG2 3.94Å; L287-V395 HydrophobicContact CG-CG2 4.38Å; V297-V395 HydrophobicContact CG1-CG2 4.24Å; T298-V395 PolarHBondContact O-N 2.92Å; V300-V395 PolarHBondContact N-O 3.23Å; L309-V395 HydrophobicContact CD2-CB 4.34Å; L309-V395 HydrophobicContact CD2-CG1 3.69Å; V395-A397 PolarHBondContact O-N 2.97Å
396M96.6Very high96.2Very high6 Ų641.3 Ų41.33%0.0323%0.228CC..EExtended strand (participates in β ladder)trans-88.6104.3179.1-61.1-54.6-62.700110.9L261 I264 F275 S276 V277 V300 V394 I398L261-M396 HydrophobicContact CB-CE 4.26Å; L261-M396 HydrophobicContact CD1-CE 3.55Å; L261-M396 HydrophobicContact CG-CE 3.58Å; I264-M396 HydrophobicContact CD1-CE 3.48Å; I264-M396 VanDerWaalsContact CD1-CE 3.48Å; I264-M396 HydrophobicContact CD1-CG 3.77Å; I264-M396 HydrophobicContact CD1-SD 3.47Å; I264-M396 WeakPolarHBondContact CD1-SD 3.27Å; F275-M396 HydrophobicContact CD1-CG 4.2Å; F275-M396 HydrophobicContact CD1-SD 3.95Å; F275-M396 HydrophobicContact CE1-SD 4.33Å; S276-M396 PolarHBondContact O-N 2.96Å; V277-M396 HydrophobicContact CG1-CB 4.32Å; V300-M396 HydrophobicContact CB-CE 4.13Å; V300-M396 HydrophobicContact CB-SD 3.84Å; V300-M396 HydrophobicContact CG1-CE 4Å; V300-M396 HydrophobicContact CG1-SD 4.3Å; V300-M396 HydrophobicContact CG2-SD 3.84Å; V394-M396 HydrophobicContact CG1-SD 3.98Å; M396-I398 HydrophobicContact CE-CD1 4.12Å; M396-I398 HydrophobicContact CE-CG1 4.28Å; M396-I398 HydrophobicContact CE-CG2 4.02Å
397A97.1Very high96.5Very high7 Ų738.4 Ų38.46%0.05820%0.198CC..  trans-118.850179.200000111.5V299 V300 L305 V395V299-A397 HydrophobicContact CG1-CB 4.41Å; V300-A397 CarbonylContact O-C 3.52Å; V300-A397 WeakPolarHBondContact O-CA 3.31Å; V300-A397 PolarHBondContact O-N 2.84Å; L305-A397 HydrophobicContact CB-CB 4.43Å; L305-A397 HydrophobicContact CD2-CB 4.1Å; L305-A397 HydrophobicContact CG-CB 4.08Å; V395-A397 PolarHBondContact O-N 2.97Å
398I95.5Very high96.6Very high52 Ų5240.4 Ų40.427%0.26720%0.202SC..SBendtrans-98.218-170.457.6156.3000114.5R259 L261 V300 M396R259-I398 HydrophobicContact CB-CD1 3.97Å; R259-I398 HydrophobicContact CB-CG1 4.08Å; R259-I398 WeakPolarHBondContact O-CG1 3.37Å; L261-I398 HydrophobicContact CD2-CD1 3.71Å; L261-I398 HydrophobicContact CG-CD1 3.77Å; V300-I398 HydrophobicContact CG1-CG2 3.9Å; M396-I398 HydrophobicContact CE-CD1 4.12Å; M396-I398 HydrophobicContact CE-CG1 4.28Å; M396-I398 HydrophobicContact CE-CG2 4.02Å
399G94.7Very high96.7Very high37 Ų3739.8 Ų39.838%0.38120%0.199SC..  trans102.1-177.4-179.700000113.4R259R259-G399 PolarHBondContact N-O 2.66Å
400V96.5Very high96.9Very high18 Ų1839.8 Ų39.811%0.10920%0.2CC..EExtended strand (participates in β ladder)trans-130.6167-173.7-60.30000111.8A256 K257 R259 E453A256-V400 HydrophobicContact CB-CB 3.82Å; A256-V400 HydrophobicContact CB-CG2 3.67Å; K257-V400 CarbonylContact O-C 3.09Å; K257-V400 WeakPolarHBondContact O-CA 3.35Å; K257-V400 VanDerWaalsContact O-CB 3.27Å; K257-V400 WeakPolarHBondContact O-CB 3.45Å; R259-V400 PolarHBondContact NE-O 3.43Å; R259-V400 PolarHBondContact NH2-O 2.78Å; V400-E453 VanDerWaalsContact CG2-CD 3.4Å; V400-E453 HydrophobicContact CG2-CG 4.1Å; V400-E453 WeakPolarHBondContact CG2-OE2 3.37Å
401E96Very high97Very high78 Ų7836.6 Ų36.636%0.36420%0.204SC..EExtended strand (participates in β ladder)trans-125.7139.6168.959.3-179-178.800109.5A256 K257A256-E401 CarbonylContact C-O 3.59Å; A256-E401 WeakPolarHBondContact CA-O 3.28Å; A256-E401 WeakPolarHBondContact CB-O 3.41Å; K257-E401 HydrophobicContact CD-CG 4.03Å; K257-E401 VanDerWaalsContact CD-OE1 3.23Å; K257-E401 WeakPolarHBondContact CD-OE1 3.38Å; K257-E401 WeakPolarHBondContact CE-OE1 3.37Å; K257-E401 HydrophobicContact CG-CG 3.39Å; K257-E401 PolarHBondContact N-O 2.89Å; K257-E401 IonicContact NZ-OE1 2.76Å; K257-E401 PolarHBondContact NZ-OE1 2.68Å; K257-E401 PolarHBondContact O-N 2.98Å
402P97.8Very high97.2Very high20 Ų2037.2 Ų37.213%0.1321%0.208CC..EExtended strand (participates in β ladder)trans-67.7140.6-176.829.8-35.5000111.3V404P402-V404 HydrophobicContact CB-CG1 3.96Å; P402-V404 HydrophobicContact CG-CG1 4.11Å; P402-V404 PolarHBondContact O-N 2.68Å
403N98.1Very high97.3Very high45 Ų4543 Ų4324%0.24123%0.234CC..  trans-81.179.7178.7-75.2-29.6000110.8T254 G255 K257T254-N403 PolarHBondContact O-ND2 2.72Å; T254-N403 PolarHBondContact OG1-O 2.57Å; G255-N403 PolarHBondContact O-N 3.14Å; K257-N403 WeakPolarHBondContact CB-OD1 3.26Å; K257-N403 WeakPolarHBondContact CD-OD1 3.23Å; K257-N403 VanDerWaalsContact CG-OD1 3.26Å; K257-N403 WeakPolarHBondContact CG-OD1 3.31Å
404V98.2Very high97.5Very high22 Ų2245.4 Ų45.413%0.13325%0.247CC..  trans-100.23.9-174.5-620000114.7P402 L406 A407 K408 L414 I421P402-V404 HydrophobicContact CB-CG1 3.96Å; P402-V404 HydrophobicContact CG-CG1 4.11Å; P402-V404 PolarHBondContact O-N 2.68Å; V404-L406 VanDerWaalsContact C-N 3.31Å; V404-L406 PolarHBondContact O-N 3.03Å; V404-A407 WeakPolarHBondContact O-CB 3.42Å; V404-A407 PolarHBondContact O-N 3.32Å; V404-K408 PolarHBondContact O-N 2.92Å; V404-L414 HydrophobicContact CB-CD1 4.23Å; V404-L414 HydrophobicContact CB-CD2 3.84Å; V404-L414 HydrophobicContact CG1-CD2 4.14Å; V404-L414 HydrophobicContact CG2-CD1 3.97Å; V404-L414 HydrophobicContact CG2-CD2 4.46Å; V404-I421 HydrophobicContact CG1-CG1 4.23Å
405E98.1Very high97.5Very high105 Ų10546.1 Ų46.149%0.49125%0.251SS..Hα-helixtrans-59.6-40.5-175.7-60.6-57.4158.600112.9K408 K409E405-K408 PolarHBondContact O-N 3.29Å; E405-K409 WeakPolarHBondContact O-CG 3.46Å; E405-K409 PolarHBondContact O-N 3.5Å
406L98.4Very high97.4Very high9 Ų955.6 Ų55.65%0.04730%0.295CS..Hα-helixtrans-57.5-49.8173.4171.158.6000110.8V133 I227 L228 E229 L230 I252 T254 V404 K408 K409 S410V133-L406 HydrophobicContact CB-CD2 4.39Å; V133-L406 HydrophobicContact CG1-CD2 3.76Å; I227-L406 HydrophobicContact CB-CD1 4.48Å; I227-L406 HydrophobicContact CB-CD2 4.32Å; I227-L406 HydrophobicContact CG2-CD1 3.78Å; I227-L406 HydrophobicContact CG2-CD2 4.19Å; L228-L406 VanDerWaalsContact C-CD1 3.45Å; E229-L406 VanDerWaalsContact CA-CD1 3.49Å; E229-L406 VanDerWaalsContact N-CD1 3.32Å; L230-L406 HydrophobicContact CG-CD1 4.12Å; I252-L406 HydrophobicContact CD1-CD2 4.48Å; I252-L406 HydrophobicContact CG1-CD2 4.31Å; I252-L406 HydrophobicContact CG2-CD2 4.18Å; T254-L406 HydrophobicContact CG2-CD2 4.33Å; V404-L406 VanDerWaalsContact C-N 3.31Å; V404-L406 PolarHBondContact O-N 3.03Å; L406-K408 PolarHBondContact O-N 2.95Å; L406-K409 PolarHBondContact O-N 3.29Å; L406-S410 WeakPolarHBondContact O-CB 2.93Å; L406-S410 PolarHBondContact O-N 2.97Å; L406-S410 PolarHBondContact O-OG 2.92Å
407A98.4Very high97.3Very high1 Ų161.5 Ų61.51%0.00833%0.331CS..Hα-helixtrans-64.1-43.4-178.200000112V404 K409 S410 G411 L412 L414 I421V404-A407 WeakPolarHBondContact O-CB 3.42Å; V404-A407 PolarHBondContact O-N 3.32Å; A407-K409 PolarHBondContact O-N 2.7Å; A407-S410 CarbonylContact O-C 3.59Å; A407-S410 PolarHBondContact O-N 3.15Å; A407-G411 PolarHBondContact O-N 3.42Å; A407-L412 HydrophobicContact CB-CB 3.97Å; A407-L412 HydrophobicContact CB-CD1 3.95Å; A407-L412 WeakPolarHBondContact O-CB 3.43Å; A407-L412 PolarHBondContact O-N 3.43Å; A407-L414 HydrophobicContact CB-CD2 4.01Å; A407-I421 HydrophobicContact CB-CD1 3.56Å; A407-I421 HydrophobicContact CB-CG1 3.52Å; A407-I421 HydrophobicContact CB-CG2 4.42Å
408K97.9Very high97.1Very high141 Ų14164 Ų6461%0.61334%0.344SS*.Hα-helixtrans-58.2-48.1175.9-171.7177.6178.9179.10112V404 E405 L406 S410 G411 L414V404-K408 PolarHBondContact O-N 2.92Å; E405-K408 PolarHBondContact O-N 3.29Å; L406-K408 PolarHBondContact O-N 2.95Å; K408-S410 VanDerWaalsContact C-N 3.28Å; K408-S410 PolarHBondContact O-N 3.17Å; K408-G411 PolarHBondContact O-N 3.26Å; K408-L414 HydrophobicContact CB-CD1 4.17Å; K408-L414 HydrophobicContact CG-CD1 4.48Å
409K98.2Very high97.1Very high125 Ų12562.7 Ų62.754%0.54334%0.344SS..Hα-helixtrans-65.5-32.8177.6-75.5-173.8173.4-169.90112.8L228 E229 E405 L406 A407 G411L228-K409 WeakPolarHBondContact O-CD 2.98Å; E229-K409 HydrophobicContact CG-CB 4.4Å; E405-K409 WeakPolarHBondContact O-CG 3.46Å; E405-K409 PolarHBondContact O-N 3.5Å; L406-K409 PolarHBondContact O-N 3.29Å; A407-K409 PolarHBondContact O-N 2.7Å; K409-G411 PolarHBondContact O-N 3.25Å
410S98.5Very high97.2Very high11 Ų1161 Ų618%0.07733%0.326CS..THydrogen-bonded Turntrans-81.41179.5-47.20000113.7L230 L232 L406 A407 K408 L412L230-S410 PolarHBondContact N-OG 3.15Å; L232-S410 WeakPolarHBondContact CD1-O 3.46Å; L406-S410 WeakPolarHBondContact O-CB 2.93Å; L406-S410 PolarHBondContact O-N 2.97Å; L406-S410 PolarHBondContact O-OG 2.92Å; A407-S410 CarbonylContact O-C 3.59Å; A407-S410 PolarHBondContact O-N 3.15Å; K408-S410 VanDerWaalsContact C-N 3.28Å; K408-S410 PolarHBondContact O-N 3.17Å; S410-L412 VanDerWaalsContact C-N 3.33Å; S410-L412 PolarHBondContact O-N 3.45Å
411G98.1Very high97.3Very high64 Ų6460.2 Ų60.266%0.6632%0.321SS*.THydrogen-bonded Turntrans73.818.7-178.800000115A407 K408 K409A407-G411 PolarHBondContact O-N 3.42Å; K408-G411 PolarHBondContact O-N 3.26Å; K409-G411 PolarHBondContact O-N 3.25Å
412L98.4Very high97.5Very high14 Ų1458.6 Ų58.67%0.07332%0.315CS..  trans-77.5147.9175-64.5175.6000111.3L232 I252 A407 S410 I421 C429 A430L232-L412 HydrophobicContact CD1-CD2 3.76Å; L232-L412 HydrophobicContact CD1-CG 4.41Å; L232-L412 HydrophobicContact CD2-CD2 4.22Å; I252-L412 HydrophobicContact CD1-CD1 3.35Å; A407-L412 HydrophobicContact CB-CB 3.97Å; A407-L412 HydrophobicContact CB-CD1 3.95Å; A407-L412 WeakPolarHBondContact O-CB 3.43Å; A407-L412 PolarHBondContact O-N 3.43Å; S410-L412 VanDerWaalsContact C-N 3.33Å; S410-L412 PolarHBondContact O-N 3.45Å; L412-I421 HydrophobicContact CB-CG2 4.4Å; L412-I421 HydrophobicContact CD1-CG2 4.35Å; L412-C429 HydrophobicContact CD2-CB 4.43Å; L412-A430 HydrophobicContact CD2-CB 3.67Å
413Q98Very high97.5Very high141 Ų14157.8 Ų57.866%0.65931%0.31SS*.  trans-72.9136.8-179.9-63.7-176.715.900111.4I422Q413-I422 HydrophobicContact CB-CB 4.28Å; Q413-I422 HydrophobicContact CB-CD1 4.2Å; Q413-I422 PolarHBondContact O-N 3.43Å
414L98.4Very high97.4Very high57 Ų5758.9 Ų58.930%0.29832%0.315SS..BIsolated β-bridgetrans-111.6144.6177.4-56.9-177000110.5V404 A407 K408 E416 G420 I421V404-L414 HydrophobicContact CB-CD1 4.23Å; V404-L414 HydrophobicContact CB-CD2 3.84Å; V404-L414 HydrophobicContact CG1-CD2 4.14Å; V404-L414 HydrophobicContact CG2-CD1 3.97Å; V404-L414 HydrophobicContact CG2-CD2 4.46Å; A407-L414 HydrophobicContact CB-CD2 4.01Å; K408-L414 HydrophobicContact CB-CD1 4.17Å; K408-L414 HydrophobicContact CG-CD1 4.48Å; L414-E416 PolarHBondContact O-N 3.41Å; L414-G420 CarbonylContact C-O 3.57Å; L414-G420 VanDerWaalsContact CA-O 3.22Å; L414-G420 WeakPolarHBondContact CA-O 3.46Å; L414-G420 WeakPolarHBondContact CD2-O 3.26Å; L414-I421 HydrophobicContact CD2-CG1 4.23Å
415D97.5Very high97.3Very high16 Ų1660.8 Ų60.89%0.08632%0.324CS..  trans-79.3110.8176.6-174.7-29.5000109.7T417 N418 G419 G420 I422 S441D415-T417 PolarHBondContact O-N 3.49Å; D415-T417 WeakPolarHBondContact OD1-CA 3.44Å; D415-T417 WeakPolarHBondContact OD1-CB 3.37Å; D415-T417 PolarHBondContact OD1-N 3.45Å; D415-N418 PolarHBondContact OD1-N 2.62Å; D415-N418 WeakPolarHBondContact OD2-CB 3.2Å; D415-N418 PolarHBondContact OD2-ND2 2.84Å; D415-G419 WeakPolarHBondContact O-CA 2.91Å; D415-G419 PolarHBondContact O-N 3.22Å; D415-G420 PolarHBondContact N-O 3.48Å; D415-I422 HydrophobicContact CB-CD1 4.42Å; D415-I422 HydrophobicContact CB-CG1 3.89Å; D415-S441 PolarHBondContact OD2-OG 3.03Å
416E95.1Very high97.3Very high199 Ų19958.9 Ų58.993%0.9332%0.315SS*.THydrogen-bonded Turntrans-66.3-25.6-179.3-62.9-173.7166.500113.2L414L414-E416 PolarHBondContact O-N 3.41Å
417T94.5Very high97.3Very high129 Ų12958.4 Ų58.479%0.79131%0.313SS*.THydrogen-bonded Turntrans-90.1-50.1-175.1-590000111.5D415D415-T417 PolarHBondContact O-N 3.49Å; D415-T417 WeakPolarHBondContact OD1-CA 3.44Å; D415-T417 WeakPolarHBondContact OD1-CB 3.37Å; D415-T417 PolarHBondContact OD1-N 3.45Å
418N93.5Very high97.3Very high60 Ų6059.6 Ų59.632%0.32132%0.319SS..THydrogen-bonded Turntrans-96.5-14.6-174.6-58.2-72.1000113.3D415 H449 R451D415-N418 PolarHBondContact OD1-N 2.62Å; D415-N418 WeakPolarHBondContact OD2-CB 3.2Å; D415-N418 PolarHBondContact OD2-ND2 2.84Å; N418-H449 PolarHBondContact ND2-O 2.95Å; N418-R451 HydrophobicContact CB-CB 4.05Å; N418-R451 PolarHBondContact O-NE 3Å; N418-R451 PolarHBondContact O-NH2 2.75Å
419G94.9Very high97.3Very high25 Ų2554.2 Ų54.226%0.25830%0.299SS..  trans69.6169.4-161.300000111.8D415 R451D415-G419 WeakPolarHBondContact O-CA 2.91Å; D415-G419 PolarHBondContact O-N 3.22Å; G419-R451 VanDerWaalsContact O-CD 3.24Å; G419-R451 WeakPolarHBondContact O-CD 3.23Å; G419-R451 PolarHBondContact O-NE 2.87Å
420G97.8Very high97.3Very high2 Ų249.1 Ų49.12%0.02128%0.28CS..SBendtrans97179179.200000113.5L414 D415 C439L414-G420 CarbonylContact C-O 3.57Å; L414-G420 VanDerWaalsContact CA-O 3.22Å; L414-G420 WeakPolarHBondContact CA-O 3.46Å; L414-G420 WeakPolarHBondContact CD2-O 3.26Å; D415-G420 PolarHBondContact N-O 3.48Å; G420-C439 CarbonylContact C-O 3.6Å; G420-C439 WeakPolarHBondContact CA-O 3.35Å
421I98.6Very high97.3Very high0 Ų053.7 Ų53.70%031%0.309CS..EExtended strand (participates in β ladder)trans-90.8124.8-178.9-52.2169.6000107.8I252 V404 A407 L412 L414 C423 C429 A435 C439 S441I252-I421 HydrophobicContact CB-CD1 4.06Å; I252-I421 HydrophobicContact CD1-CD1 4.22Å; I252-I421 HydrophobicContact CG2-CD1 3.51Å; V404-I421 HydrophobicContact CG1-CG1 4.23Å; A407-I421 HydrophobicContact CB-CD1 3.56Å; A407-I421 HydrophobicContact CB-CG1 3.52Å; A407-I421 HydrophobicContact CB-CG2 4.42Å; L412-I421 HydrophobicContact CB-CG2 4.4Å; L412-I421 HydrophobicContact CD1-CG2 4.35Å; L414-I421 HydrophobicContact CD2-CG1 4.23Å; I421-C423 PolarHBondContact O-N 2.89Å; I421-C429 HydrophobicContact CG2-CB 3.65Å; I421-A435 HydrophobicContact CB-CB 4.17Å; I421-A435 HydrophobicContact CD1-CB 4Å; I421-A435 HydrophobicContact CG2-CB 4.26Å; I421-C439 PolarHBondContact N-O 2.96Å; I421-S441 WeakPolarHBondContact O-CA 3.38Å; I421-S441 PolarHBondContact O-N 2.82Å
422I98.3Very high97.3Very high45 Ų4553.1 Ų53.123%0.23129%0.291CS..EExtended strand (participates in β ladder)trans-69126.4178.1-65.5-179.8000109Q413 D415 C429Q413-I422 HydrophobicContact CB-CB 4.28Å; Q413-I422 HydrophobicContact CB-CD1 4.2Å; Q413-I422 PolarHBondContact O-N 3.43Å; D415-I422 HydrophobicContact CB-CD1 4.42Å; D415-I422 HydrophobicContact CB-CG1 3.89Å; I422-C429 WeakPolarHBondContact O-CB 3.4Å
423C98.3Very high97.3Very high3 Ų352.5 Ų52.52%0.0229%0.288CS..  trans-120.7155.2171.7-64.70000112.6I421 L427 N428 C440 S441 H449I421-C423 PolarHBondContact O-N 2.89Å; C423-L427 PolarHBondContact SG-O 3.47Å; C423-N428 CarbonylContact C-O 3.54Å; C423-N428 WeakPolarHBondContact CA-O 3.41Å; C423-N428 WeakPolarHBondContact CB-O 3.4Å; C423-C440 VanDerWaalsContact SG-SG 3.64Å; C423-S441 PolarHBondContact N-O 2.83Å; C423-H449 PolarHBondContact O-NE2 2.87Å
424D96.9Very high97.4Very high67 Ų6746.3 Ų46.336%0.35826%0.258SS..  trans-73.5-174.8166.670.913.5000112.1E426 L427 N428D424-E426 PolarHBondContact O-N 2.86Å; D424-E426 VanDerWaalsContact OD1-C 3.3Å; D424-E426 WeakPolarHBondContact OD1-CA 3.28Å; D424-E426 PolarHBondContact OD1-N 3.26Å; D424-L427 PolarHBondContact O-N 3.23Å; D424-L427 VanDerWaalsContact O-N 3.16Å; D424-L427 PolarHBondContact OD1-N 3.42Å; D424-N428 PolarHBondContact N-O 3.45Å; D424-N428 PolarHBondContact OD1-N 2.73Å; D424-N428 PolarHBondContact OD1-ND2 3.22Å; D424-N428 WeakPolarHBondContact OD2-CB 3.19Å; D424-N428 PolarHBondContact OD2-ND2 3.46Å
425I96.7Very high97.4Very high63 Ų6343.6 Ų43.632%0.32324%0.244SC..THydrogen-bonded Turntrans-65.8-21.7179.361.4175.8000113.1Y443 F445 P475 Y476I425-Y443 HydrophobicContact CG2-CD1 3.67Å; I425-Y443 HydrophobicContact CG2-CG 4.25Å; I425-F445 HydrophobicContact CD1-CZ 4.41Å; I425-F445 HydrophobicContact CG2-CE1 4.41Å; I425-F445 HydrophobicContact CG2-CE2 4.48Å; I425-F445 HydrophobicContact CG2-CZ 3.95Å; I425-P475 HydrophobicContact CB-CB 4.28Å; I425-P475 HydrophobicContact CD1-CB 4.31Å; I425-P475 HydrophobicContact CG1-CB 4.45Å; I425-P475 CarbonylContact O-C 3.42Å; I425-P475 VanDerWaalsContact O-CA 3.23Å; I425-P475 WeakPolarHBondContact O-CA 3.26Å; I425-Y476 PolarHBondContact O-N 2.84Å
426E97.6Very high97.4Very high64 Ų6442.8 Ų42.830%0.29924%0.24SC..THydrogen-bonded Turntrans-95.55.5178.1-62.5-173.4165.300112.5D424 N428 N468D424-E426 PolarHBondContact O-N 2.86Å; D424-E426 VanDerWaalsContact OD1-C 3.3Å; D424-E426 WeakPolarHBondContact OD1-CA 3.28Å; D424-E426 PolarHBondContact OD1-N 3.26Å; E426-N428 VanDerWaalsContact C-N 3.33Å; E426-N428 WeakPolarHBondContact CB-ND2 3.45Å; E426-N468 PolarHBondContact O-ND2 2.94Å
427L98.4Very high97.6Very high0 Ų033.4 Ų33.40%020%0.197CC..SBendtrans71.915.7-177.7-51.6177000115.1C423 D424 Y434 A435 S461 L464 A465 Y476C423-L427 PolarHBondContact SG-O 3.47Å; D424-L427 PolarHBondContact O-N 3.23Å; D424-L427 VanDerWaalsContact O-N 3.16Å; D424-L427 PolarHBondContact OD1-N 3.42Å; L427-Y434 CarbonylContact O-C 3.47Å; L427-Y434 VanDerWaalsContact O-CA 3.23Å; L427-Y434 WeakPolarHBondContact O-CA 3.15Å; L427-A435 PolarHBondContact O-N 2.96Å; L427-S461 VanDerWaalsContact CD1-O 3.29Å; L427-S461 WeakPolarHBondContact CD1-O 3.31Å; L427-L464 HydrophobicContact CD1-CB 4.12Å; L427-L464 HydrophobicContact CD1-CD2 3.94Å; L427-L464 HydrophobicContact CD1-CG 4.24Å; L427-L464 HydrophobicContact CG-CD2 4.2Å; L427-A465 HydrophobicContact CD1-CB 4.25Å; L427-Y476 HydrophobicContact CD1-CD2 4.33Å; L427-Y476 HydrophobicContact CD1-CG 4.47Å; L427-Y476 HydrophobicContact CD2-CD1 4.43Å; L427-Y476 HydrophobicContact CD2-CG 4.16Å
428N98.2Very high97.7Very high26 Ų2628 Ų2814%0.13916%0.163CC..EExtended strand (participates in β ladder)trans-74.6141.4170.6-54.3-78.1000110.3C423 D424 E426 V433 Y434C423-N428 CarbonylContact C-O 3.54Å; C423-N428 WeakPolarHBondContact CA-O 3.41Å; C423-N428 WeakPolarHBondContact CB-O 3.4Å; D424-N428 PolarHBondContact N-O 3.45Å; D424-N428 PolarHBondContact OD1-N 2.73Å; D424-N428 PolarHBondContact OD1-ND2 3.22Å; D424-N428 WeakPolarHBondContact OD2-CB 3.19Å; D424-N428 PolarHBondContact OD2-ND2 3.46Å; E426-N428 VanDerWaalsContact C-N 3.33Å; E426-N428 WeakPolarHBondContact CB-ND2 3.45Å; N428-V433 WeakPolarHBondContact CA-O 3.35Å; N428-Y434 WeakPolarHBondContact OD1-CE1 3.38Å; N428-Y434 PolarHBondContact OD1-OH 2.95Å
429C98Very high98Very high27 Ų2725.2 Ų25.218%0.18215%0.148CC..EExtended strand (participates in β ladder)trans-118.4-15169.959.80000112.9L412 I421 I422 V433L412-C429 HydrophobicContact CD2-CB 4.43Å; I421-C429 HydrophobicContact CG2-CB 3.65Å; I422-C429 WeakPolarHBondContact O-CB 3.4Å; C429-V433 PolarHBondContact N-O 3.34Å; C429-V433 PolarHBondContact SG-O 3.24Å
430A98.3Very high98.1Very high18 Ų1824 Ų2415%0.14914%0.136CC..EExtended strand (participates in β ladder)trans-156.5169.6166.600000108.5L232 L412 D432 V433L232-A430 HydrophobicContact CD1-CB 4.14Å; L232-A430 HydrophobicContact CD2-CB 4.27Å; L412-A430 HydrophobicContact CD2-CB 3.67Å; A430-D432 PolarHBondContact O-N 3.39Å; A430-V433 HydrophobicContact CB-CB 4.13Å; A430-V433 HydrophobicContact CB-CG2 4.36Å; A430-V433 PolarHBondContact N-O 2.92Å; A430-V433 PolarHBondContact O-N 3.14Å; A430-V433 VanDerWaalsContact O-O 3.07Å
431P97.6Very high98.1Very high107 Ų10723.9 Ų23.970%0.69514%0.135SC*.THydrogen-bonded Turntrans-50.3127171.2-26.836.2000110.4V433P431-V433 PolarHBondContact O-N 3.2Å
432D98.4Very high98Very high53 Ų5324 Ų2428%0.28314%0.135SC..THydrogen-bonded Turntrans62.78.2178.5-58.7-37.9000116.1H235 N248 K249 C250 A430H235-D432 IonicContact CD2-OD2 2.82Å; H235-D432 IonicContact NE2-OD2 2.84Å; H235-D432 PolarHBondContact NE2-OD2 3.41Å; N248-D432 WeakPolarHBondContact O-CB 3.38Å; K249-D432 WeakPolarHBondContact CA-O 3.49Å; K249-D432 HydrophobicContact CD-CB 3.86Å; K249-D432 WeakPolarHBondContact CD-OD1 3.37Å; K249-D432 VanDerWaalsContact CE-OD1 3.3Å; K249-D432 WeakPolarHBondContact CE-OD1 3.14Å; K249-D432 IonicContact NZ-OD1 3.98Å; K249-D432 PolarHBondContact NZ-OD1 2.86Å; C250-D432 PolarHBondContact N-O 3.19Å; A430-D432 PolarHBondContact O-N 3.39Å
433V98.8Very high97.8Very high0 Ų026 Ų260%014%0.14CC..EExtended strand (participates in β ladder)trans-121.9123.5177.7-170.10000111.2L230 L232 Y247 C250 I252 N428 C429 A430 P431L230-V433 HydrophobicContact CD1-CG1 3.92Å; L232-V433 HydrophobicContact CD2-CG2 3.93Å; Y247-V433 HydrophobicContact CE2-CG2 4.2Å; C250-V433 HydrophobicContact CB-CG1 4.33Å; C250-V433 HydrophobicContact CB-CG2 4.31Å; C250-V433 CarbonylContact O-C 3.58Å; C250-V433 WeakPolarHBondContact O-CA 3.28Å; I252-V433 HydrophobicContact CD1-CG1 3.94Å; I252-V433 HydrophobicContact CG1-CG1 4.12Å; N428-V433 WeakPolarHBondContact CA-O 3.35Å; C429-V433 PolarHBondContact N-O 3.34Å; C429-V433 PolarHBondContact SG-O 3.24Å; A430-V433 HydrophobicContact CB-CB 4.13Å; A430-V433 HydrophobicContact CB-CG2 4.36Å; A430-V433 PolarHBondContact N-O 2.92Å; A430-V433 PolarHBondContact O-N 3.14Å; A430-V433 VanDerWaalsContact O-O 3.07Å; P431-V433 PolarHBondContact O-N 3.2Å
434Y98.9Very high97.3Very high11 Ų1127.3 Ų27.34%0.04315%0.147CC..EExtended strand (participates in β ladder)trans-111.6159.9-178.3-61.7-101.3000110.5K249 C250 L251 I252 L427 N428 N468 M469K249-Y434 HydrophobicContact CD-CE2 4.26Å; C250-Y434 PolarHBondContact O-N 3.32Å; L251-Y434 CarbonylContact C-O 3.51Å; I252-Y434 PolarHBondContact N-O 3.22Å; L427-Y434 CarbonylContact O-C 3.47Å; L427-Y434 VanDerWaalsContact O-CA 3.23Å; L427-Y434 WeakPolarHBondContact O-CA 3.15Å; N428-Y434 WeakPolarHBondContact OD1-CE1 3.38Å; N428-Y434 PolarHBondContact OD1-OH 2.95Å; Y434-N468 HydrophobicContact CD1-CB 4.43Å; Y434-N468 HydrophobicContact CE1-CB 3.67Å; Y434-N468 PolarHBondContact OH-O 3.11Å; Y434-M469 HydrophobicContact CD1-CG 4.39Å; Y434-M469 HydrophobicContact CD2-CG 3.3Å; Y434-M469 HydrophobicContact CD2-SD 4.2Å; Y434-M469 HydrophobicContact CE1-CG 4.45Å; Y434-M469 HydrophobicContact CE2-CB 4.25Å; Y434-M469 HydrophobicContact CE2-CG 3.4Å; Y434-M469 HydrophobicContact CG-CG 3.84Å
435A98.8Very high96.6Very high0 Ų030.9 Ų30.90%016%0.16CC..EExtended strand (participates in β ladder)trans-132.4144.616500000112.6I252 I421 L427 C440I252-A435 HydrophobicContact CB-CB 4.26Å; I252-A435 CarbonylContact O-C 3.45Å; I252-A435 WeakPolarHBondContact O-CA 3.48Å; I421-A435 HydrophobicContact CB-CB 4.17Å; I421-A435 HydrophobicContact CD1-CB 4Å; I421-A435 HydrophobicContact CG2-CB 4.26Å; L427-A435 PolarHBondContact O-N 2.96Å; A435-C440 HydrophobicContact CB-CB 4.26Å; A435-C440 PolarHBondContact O-SG 2.87Å
436A98.7Very high95.8Very high0 Ų035.9 Ų35.90%018%0.179CC..  trans-147.3157.6-17800000113.4A138 L251 I252 C439 A465A138-A436 HydrophobicContact CB-CB 4.08Å; L251-A436 HydrophobicContact CD1-CB 3.86Å; I252-A436 PolarHBondContact O-N 3.16Å; A436-C439 PolarHBondContact O-SG 2.97Å; A436-C439 VanDerWaalsContact O-SG 3.39Å; A436-A465 HydrophobicContact CB-CB 4.32Å
437G98.1Very high95.1Very high2 Ų235.5 Ų35.52%0.02118%0.182CC..G310 helixtrans72.3-157.1-177.600000113.8C439 C440 H457 S461G437-C439 PolarHBondContact O-N 2.97Å; G437-C440 WeakPolarHBondContact O-CB 3.42Å; G437-C440 PolarHBondContact O-N 3.33Å; G437-H457 PolarHBondContact O-NE2 3.26Å; G437-S461 PolarHBondContact N-OG 3.27Å
438D97.6Very high94.7Very high16 Ų1636.6 Ų36.69%0.08619%0.192CC..G310 helixtrans-57.7-20.6-167.1-54.8-9.1000115.1A256 R279 R451A256-D438 HydrophobicContact CB-CB 3.78Å; R279-D438 IonicContact CZ-OD2 2.66Å; R279-D438 IonicContact NH1-OD2 2.68Å; R279-D438 PolarHBondContact NH1-OD2 3.24Å; R279-D438 IonicContact NH2-OD2 3.99Å; R279-D438 PolarHBondContact NH2-OD2 3.36Å; D438-R451 VanDerWaalsContact O-CD 3.23Å; D438-R451 WeakPolarHBondContact O-CD 3.5Å; D438-R451 WeakPolarHBondContact O-CG 3.49Å; D438-R451 PolarHBondContact O-NH1 3.39Å
439C98.3Very high94.5Very high0 Ų038.3 Ų38.30%020%0.199CC..G310 helixtrans-85.5-12177.660.30000113.7I252 G255 G420 I421 A436 G437I252-C439 PolarHBondContact O-SG 3.5Å; G255-C439 WeakPolarHBondContact O-CB 3.23Å; G420-C439 CarbonylContact C-O 3.6Å; G420-C439 WeakPolarHBondContact CA-O 3.35Å; I421-C439 PolarHBondContact N-O 2.96Å; A436-C439 PolarHBondContact O-SG 2.97Å; A436-C439 VanDerWaalsContact O-SG 3.39Å; G437-C439 PolarHBondContact O-N 2.97Å
440C98.3Very high94.3Very high0 Ų039.3 Ų39.30%020%0.201CC..EExtended strand (participates in β ladder)trans-89.8126.6-175.8-179.10000111.3C423 A435 G437 R451C423-C440 VanDerWaalsContact SG-SG 3.64Å; A435-C440 HydrophobicContact CB-CB 4.26Å; A435-C440 PolarHBondContact O-SG 2.87Å; G437-C440 WeakPolarHBondContact O-CB 3.42Å; G437-C440 PolarHBondContact O-N 3.33Å; C440-R451 WeakPolarHBondContact O-CG 3.31Å
441S97.8Very high94.1Very high0 Ų040.4 Ų40.40%020%0.201CC..EExtended strand (participates in β ladder)trans-97.4101.2161.4-169.50000108D415 I421 C423 H449 K450D415-S441 PolarHBondContact OD2-OG 3.03Å; I421-S441 WeakPolarHBondContact O-CA 3.38Å; I421-S441 PolarHBondContact O-N 2.82Å; C423-S441 PolarHBondContact N-O 2.83Å; S441-H449 PolarHBondContact O-CD2 3.31Å; S441-K450 WeakPolarHBondContact CA-O 3.08Å; S441-K450 PolarHBondContact OG-O 3.12Å
442Y96Very high93.9Very high3 Ų336 Ų361%0.01217%0.172CC..EExtended strand (participates in β ladder)trans-93.7154.5-177.466.1-86.5000110.8D444 H449 K450 V452 H457 Y476Y442-D444 HydrophobicContact CE2-CB 4.3Å; Y442-H449 WeakPolarHBondContact O-CA 3.2Å; Y442-K450 WeakPolarHBondContact CD1-O 3.31Å; Y442-K450 HydrophobicContact CE1-CG 4.16Å; Y442-K450 HydrophobicContact CE2-CG 4.11Å; Y442-K450 VanDerWaalsContact CZ-CE 3.5Å; Y442-K450 PolarHBondContact N-O 3.48Å; Y442-K450 PolarHBondContact O-N 3.22Å; Y442-K450 WeakPolarHBondContact OH-CE 3.31Å; Y442-V452 HydrophobicContact CE1-CB 4.27Å; Y442-V452 HydrophobicContact CE1-CG2 3.94Å; Y442-V452 WeakPolarHBondContact OH-CG2 3.25Å; Y442-H457 AromaticContact CD1-CE1 3.33Å; Y442-H457 WeakPolarHBondContact CD1-CE1 3.38Å; Y442-H457 AromaticContact CD1-NE2 3.93Å; Y442-H457 AromaticContact CE1-CE1 3.31Å; Y442-H457 WeakPolarHBondContact CE1-CE1 3.35Å; Y442-H457 AromaticContact CE1-ND1 3.7Å; Y442-H457 AromaticContact CE1-NE2 3.96Å; Y442-Y476 HydrophobicContact CD1-CD1 4.44Å; Y442-Y476 HydrophobicContact CD1-CE1 4.17Å; Y442-Y476 AromaticContact CD2-CD1 3.45Å; Y442-Y476 HydrophobicContact CD2-CD1 3.45Å; Y442-Y476 VanDerWaalsContact CD2-CD1 3.45Å; Y442-Y476 AromaticContact CD2-CE1 3.78Å; Y442-Y476 HydrophobicContact CD2-CE1 3.78Å; Y442-Y476 HydrophobicContact CE1-CE1 4.12Å; Y442-Y476 AromaticContact CE2-CD1 3.78Å; Y442-Y476 HydrophobicContact CE2-CD1 3.78Å; Y442-Y476 AromaticContact CE2-CE1 3.72Å; Y442-Y476 HydrophobicContact CE2-CE1 3.72Å; Y442-Y476 AromaticContact CG-CD1 3.79Å; Y442-Y476 HydrophobicContact CG-CD1 3.79Å; Y442-Y476 AromaticContact CG-CE1 3.98Å; Y442-Y476 HydrophobicContact CG-CE1 3.98Å; Y442-Y476 AromaticContact CZ-CE1 3.88Å
443Y93.5Very high93.7Very high85 Ų8536.8 Ų36.833%0.33317%0.174SC..EExtended strand (participates in β ladder)trans-81.6127.8176.2-170.1-95.5000111.8I425 F445 H449I425-Y443 HydrophobicContact CG2-CD1 3.67Å; I425-Y443 HydrophobicContact CG2-CG 4.25Å; Y443-F445 AromaticContact CE1-CD1 3.92Å; Y443-F445 HydrophobicContact CE1-CD1 3.92Å; Y443-F445 HydrophobicContact CE1-CE1 4.28Å; Y443-F445 HydrophobicContact CE1-CG 4.41Å; Y443-H449 AromaticContact CD2-CE1 3.6Å; Y443-H449 AromaticContact CD2-ND1 3.69Å
444D88.2Confident93.4Very high31 Ų3138.2 Ų38.217%0.16618%0.181CC..EExtended strand (participates in β ladder)trans-114.2129.9169.8178.7-73.6000110.1Y442 K446 T447 G448 K450Y442-D444 HydrophobicContact CE2-CB 4.3Å; D444-K446 PolarHBondContact O-N 2.99Å; D444-K446 VanDerWaalsContact O-N 3.13Å; D444-K446 WeakPolarHBondContact OD1-CA 3.37Å; D444-K446 WeakPolarHBondContact OD1-CB 3.35Å; D444-K446 PolarHBondContact OD1-N 3.5Å; D444-T447 WeakPolarHBondContact CB-OG1 3.46Å; D444-T447 PolarHBondContact O-N 3.41Å; D444-T447 PolarHBondContact OD1-N 3.34Å; D444-T447 PolarHBondContact OD1-OG1 2.96Å; D444-G448 WeakPolarHBondContact CB-O 3.39Å; D444-G448 PolarHBondContact N-O 2.8Å; D444-G448 VanDerWaalsContact O-CA 3.28Å; D444-G448 WeakPolarHBondContact O-CA 3.18Å; D444-G448 PolarHBondContact O-N 2.91Å; D444-K450 HydrophobicContact CB-CD 4.35Å; D444-K450 IonicContact OD1-NZ 2.78Å; D444-K450 WeakPolarHBondContact OD2-CE 3.35Å; D444-K450 IonicContact OD2-NZ 3.03Å; D444-K450 PolarHBondContact OD2-NZ 3.03Å
445F82.7Confident93.1Very high143 Ų14339.5 Ų39.563%0.62719%0.187SC*.THydrogen-bonded Turntrans-61.8-23.3-175.7-68.6-77.1000114.7I425 Y443I425-F445 HydrophobicContact CD1-CZ 4.41Å; I425-F445 HydrophobicContact CG2-CE1 4.41Å; I425-F445 HydrophobicContact CG2-CE2 4.48Å; I425-F445 HydrophobicContact CG2-CZ 3.95Å; Y443-F445 AromaticContact CE1-CD1 3.92Å; Y443-F445 HydrophobicContact CE1-CD1 3.92Å; Y443-F445 HydrophobicContact CE1-CE1 4.28Å; Y443-F445 HydrophobicContact CE1-CG 4.41Å
446K80.1Confident92.9Very high167 Ų16740.3 Ų40.373%0.72619%0.192SC*.THydrogen-bonded Turntrans-93.2-35.3-178.6-61.8-177.4179.1-177.60112D444 L568D444-K446 PolarHBondContact O-N 2.99Å; D444-K446 VanDerWaalsContact O-N 3.13Å; D444-K446 WeakPolarHBondContact OD1-CA 3.37Å; D444-K446 WeakPolarHBondContact OD1-CB 3.35Å; D444-K446 PolarHBondContact OD1-N 3.5Å; K446-L568 PolarHBondContact NZ-O 2.88Å
447T82.5Confident92.7Very high57 Ų5740.3 Ų40.335%0.3519%0.193SC..THydrogen-bonded Turntrans-116-3.5-170.758.80000114.6D444 K450D444-T447 WeakPolarHBondContact CB-OG1 3.46Å; D444-T447 PolarHBondContact O-N 3.41Å; D444-T447 PolarHBondContact OD1-N 3.34Å; D444-T447 PolarHBondContact OD1-OG1 2.96Å; T447-K450 PolarHBondContact OG1-NZ 3.45Å
448G90.6Very high92.7Very high22 Ų2240.7 Ų40.723%0.22720%0.195CC..EExtended strand (participates in β ladder)trans72.7-158-169.300000111.9D444D444-G448 WeakPolarHBondContact CB-O 3.39Å; D444-G448 PolarHBondContact N-O 2.8Å; D444-G448 VanDerWaalsContact O-CA 3.28Å; D444-G448 WeakPolarHBondContact O-CA 3.18Å; D444-G448 PolarHBondContact O-N 2.91Å
449H93.8Very high92.7Very high62 Ų6242.3 Ų42.329%0.28720%0.203SC..EExtended strand (participates in β ladder)trans-62.1135.2176.8-77.998.1000112N418 C423 S441 Y442 Y443N418-H449 PolarHBondContact ND2-O 2.95Å; C423-H449 PolarHBondContact O-NE2 2.87Å; S441-H449 PolarHBondContact O-CD2 3.31Å; Y442-H449 WeakPolarHBondContact O-CA 3.2Å; Y443-H449 AromaticContact CD2-CE1 3.6Å; Y443-H449 AromaticContact CD2-ND1 3.69Å
450K92.8Very high92.6Very high48 Ų4845.6 Ų45.621%0.20922%0.217CC..EExtended strand (participates in β ladder)trans-150.8159.317466.3-179172.4-149.10111.8S441 Y442 D444 T447S441-K450 WeakPolarHBondContact CA-O 3.08Å; S441-K450 PolarHBondContact OG-O 3.12Å; Y442-K450 WeakPolarHBondContact CD1-O 3.31Å; Y442-K450 HydrophobicContact CE1-CG 4.16Å; Y442-K450 HydrophobicContact CE2-CG 4.11Å; Y442-K450 VanDerWaalsContact CZ-CE 3.5Å; Y442-K450 PolarHBondContact N-O 3.48Å; Y442-K450 PolarHBondContact O-N 3.22Å; Y442-K450 WeakPolarHBondContact OH-CE 3.31Å; D444-K450 HydrophobicContact CB-CD 4.35Å; D444-K450 IonicContact OD1-NZ 2.78Å; D444-K450 WeakPolarHBondContact OD2-CE 3.35Å; D444-K450 IonicContact OD2-NZ 3.03Å; D444-K450 PolarHBondContact OD2-NZ 3.03Å; T447-K450 PolarHBondContact OG1-NZ 3.45Å
451R95.1Very high92.6Very high41 Ų4145.6 Ų45.616%0.15522%0.217CC..EExtended strand (participates in β ladder)trans-118.8136.1175.6-170.5170.268.673.212111N418 G419 D438 C440 E453N418-R451 HydrophobicContact CB-CB 4.05Å; N418-R451 PolarHBondContact O-NE 3Å; N418-R451 PolarHBondContact O-NH2 2.75Å; G419-R451 VanDerWaalsContact O-CD 3.24Å; G419-R451 WeakPolarHBondContact O-CD 3.23Å; G419-R451 PolarHBondContact O-NE 2.87Å; D438-R451 VanDerWaalsContact O-CD 3.23Å; D438-R451 WeakPolarHBondContact O-CD 3.5Å; D438-R451 WeakPolarHBondContact O-CG 3.49Å; D438-R451 PolarHBondContact O-NH1 3.39Å; C440-R451 WeakPolarHBondContact O-CG 3.31Å; R451-E453 IonicContact CZ-OE1 3.26Å; R451-E453 VanDerWaalsContact NH1-CG 3.32Å; R451-E453 IonicContact NH1-OE1 2.93Å; R451-E453 PolarHBondContact NH1-OE1 3.33Å; R451-E453 IonicContact NH2-OE1 3.69Å; R451-E453 PolarHBondContact NH2-OE1 2.94Å
452V93.6Very high92.7Very high15 Ų1545.6 Ų45.69%0.09122%0.217CC..  trans-127.8129.6-177.7175.20000110.1Y442 H454 H457 S480Y442-V452 HydrophobicContact CE1-CB 4.27Å; Y442-V452 HydrophobicContact CE1-CG2 3.94Å; Y442-V452 WeakPolarHBondContact OH-CG2 3.25Å; V452-H454 HydrophobicContact CG1-CB 3.89Å; V452-H454 WeakPolarHBondContact CG1-CD2 3.47Å; V452-H454 PolarHBondContact O-N 3.24Å; V452-H457 HydrophobicContact CB-CB 4.22Å; V452-H457 HydrophobicContact CG1-CB 3.84Å; V452-H457 PolarHBondContact O-CD2 3.25Å; V452-S480 WeakPolarHBondContact CG1-OG 3.49Å
453E93.4Very high92.8Very high70 Ų7046.6 Ų46.633%0.32723%0.226SC..  trans-104.652.9-174.5-60.5170.2-176.200110.9V400 R451V400-E453 VanDerWaalsContact CG2-CD 3.4Å; V400-E453 HydrophobicContact CG2-CG 4.1Å; V400-E453 WeakPolarHBondContact CG2-OE2 3.37Å; R451-E453 IonicContact CZ-OE1 3.26Å; R451-E453 VanDerWaalsContact NH1-CG 3.32Å; R451-E453 IonicContact NH1-OE1 2.93Å; R451-E453 PolarHBondContact NH1-OE1 3.33Å; R451-E453 IonicContact NH2-OE1 3.69Å; R451-E453 PolarHBondContact NH2-OE1 2.94Å
454H92.1Very high93Very high30 Ų3043.5 Ų43.514%0.13922%0.215CC..  trans-125.3142.9-174-59.6-23.6000111.6V452 S456 H457 A458 S480 F482V452-H454 HydrophobicContact CG1-CB 3.89Å; V452-H454 WeakPolarHBondContact CG1-CD2 3.47Å; V452-H454 PolarHBondContact O-N 3.24Å; H454-S456 VanDerWaalsContact C-N 3.3Å; H454-S456 PolarHBondContact O-N 3.47Å; H454-H457 HydrophobicContact CB-CB 4.41Å; H454-H457 WeakPolarHBondContact O-CB 3.36Å; H454-H457 PolarHBondContact O-N 3.01Å; H454-A458 PolarHBondContact O-N 3.15Å; H454-S480 PolarHBondContact CD2-OG 2.96Å; H454-F482 HydrophobicContact CB-CB 4.37Å; H454-F482 AromaticContact CD2-CD1 3.59Å; H454-F482 AromaticContact CD2-CG 3.96Å; H454-F482 AromaticContact CE1-CD1 3.81Å; H454-F482 AromaticContact CE1-CG 3.9Å; H454-F482 AromaticContact NE2-CD1 3.14Å; H454-F482 WeakPolarHBondContact NE2-CD1 3.32Å; H454-F482 AromaticContact NE2-CE1 3.76Å; H454-F482 AromaticContact NE2-CG 3.65Å
455H93.8Very high93.6Very high38 Ų3842 Ų4218%0.17621%0.207CC..Hα-helixtrans-57-41.6-179.9173.679.4000112.7E52 T137 P169 H457 A458 E459E52-H455 IonicContact OE1-NE2 3.53Å; E52-H455 PolarHBondContact OE1-NE2 2.98Å; E52-H455 IonicContact OE2-CD2 3.91Å; E52-H455 PolarHBondContact OE2-CD2 3.01Å; E52-H455 IonicContact OE2-NE2 2.99Å; E52-H455 PolarHBondContact OE2-NE2 2.95Å; T137-H455 PolarHBondContact OG1-CE1 3.44Å; T137-H455 PolarHBondContact OG1-ND1 3.43Å; P169-H455 HydrophobicContact CG-CB 3.89Å; H455-H457 VanDerWaalsContact C-N 3.33Å; H455-H457 PolarHBondContact O-N 2.84Å; H455-A458 WeakPolarHBondContact O-CB 3.43Å; H455-A458 PolarHBondContact O-N 3.27Å; H455-E459 PolarHBondContact O-N 3.21Å
456S93.4Very high94.3Very high16 Ų1635.2 Ų35.211%0.11218%0.177CC..Hα-helixtrans-61.4-40.4176.264.70000112.3H454 E459 K460 Y478 Q481H454-S456 VanDerWaalsContact C-N 3.3Å; H454-S456 PolarHBondContact O-N 3.47Å; S456-E459 PolarHBondContact O-N 3.02Å; S456-K460 WeakPolarHBondContact O-CB 3.24Å; S456-K460 WeakPolarHBondContact O-CG 3.35Å; S456-K460 PolarHBondContact O-N 2.95Å; S456-Y478 WeakPolarHBondContact CB-OH 3.35Å; S456-Q481 PolarHBondContact OG-O 3.41Å
457H95.5Very high95.2Very high1 Ų129.1 Ų29.11%0.00515%0.151CC..Hα-helixtrans-63.7-45.9175.7171.462000110.3G437 Y442 V452 H454 H455 E459 K460 S461 Y476G437-H457 PolarHBondContact O-NE2 3.26Å; Y442-H457 AromaticContact CD1-CE1 3.33Å; Y442-H457 WeakPolarHBondContact CD1-CE1 3.38Å; Y442-H457 AromaticContact CD1-NE2 3.93Å; Y442-H457 AromaticContact CE1-CE1 3.31Å; Y442-H457 WeakPolarHBondContact CE1-CE1 3.35Å; Y442-H457 AromaticContact CE1-ND1 3.7Å; Y442-H457 AromaticContact CE1-NE2 3.96Å; V452-H457 HydrophobicContact CB-CB 4.22Å; V452-H457 HydrophobicContact CG1-CB 3.84Å; V452-H457 PolarHBondContact O-CD2 3.25Å; H454-H457 HydrophobicContact CB-CB 4.41Å; H454-H457 WeakPolarHBondContact O-CB 3.36Å; H454-H457 PolarHBondContact O-N 3.01Å; H455-H457 VanDerWaalsContact C-N 3.33Å; H455-H457 PolarHBondContact O-N 2.84Å; H457-E459 VanDerWaalsContact C-N 3.33Å; H457-E459 PolarHBondContact O-N 3Å; H457-K460 PolarHBondContact O-N 2.85Å; H457-S461 VanDerWaalsContact O-CB 3.27Å; H457-S461 WeakPolarHBondContact O-CB 3.39Å; H457-S461 PolarHBondContact O-N 3.16Å; H457-S461 PolarHBondContact O-OG 3.29Å; H457-Y476 AromaticContact CE1-CE1 3.81Å; H457-Y476 AromaticContact CE1-CZ 3.96Å; H457-Y476 AromaticContact ND1-CE1 3.67Å; H457-Y476 AromaticContact ND1-CZ 3.56Å; H457-Y476 PolarHBondContact ND1-OH 3.43Å
458A97.5Very high96Very high9 Ų926.6 Ų26.67%0.07414%0.135CC..Hα-helixtrans-58.2-44.2175.600000112.3T137 A138 H454 H455 G462T137-A458 HydrophobicContact CG2-CB 4.25Å; A138-A458 VanDerWaalsContact CA-O 3.25Å; A138-A458 WeakPolarHBondContact CA-O 3.34Å; A138-A458 HydrophobicContact CB-CB 4.37Å; A138-A458 WeakPolarHBondContact CB-O 3.35Å; H454-A458 PolarHBondContact O-N 3.15Å; H455-A458 WeakPolarHBondContact O-CB 3.43Å; H455-A458 PolarHBondContact O-N 3.27Å; A458-G462 PolarHBondContact O-N 2.96Å
459E97.5Very high96.3Very high51 Ų5125.8 Ų25.824%0.23813%0.126CC..Hα-helixtrans-63.5-51.1176.8-169.8-159.7135.300111.9T137 A141 H455 S456 H457 G462 A463T137-E459 HydrophobicContact CG2-CB 3.88Å; A141-E459 HydrophobicContact CB-CG 4.3Å; A141-E459 VanDerWaalsContact CB-O 3.29Å; A141-E459 WeakPolarHBondContact CB-O 3.37Å; H455-E459 PolarHBondContact O-N 3.21Å; S456-E459 PolarHBondContact O-N 3.02Å; H457-E459 VanDerWaalsContact C-N 3.33Å; H457-E459 PolarHBondContact O-N 3Å; E459-G462 PolarHBondContact O-N 2.81Å; E459-A463 WeakPolarHBondContact O-CB 3.33Å; E459-A463 PolarHBondContact O-N 3.09Å
460K97.3Very high96.5Very high69 Ų6924.3 Ų24.330%0.312%0.122SC..Hα-helixtrans-73.5-38.8-173.8-62.4-47.7-178.2-155.40113.2S456 H457 L464 Y476 Y478S456-K460 WeakPolarHBondContact O-CB 3.24Å; S456-K460 WeakPolarHBondContact O-CG 3.35Å; S456-K460 PolarHBondContact O-N 2.95Å; H457-K460 PolarHBondContact O-N 2.85Å; K460-L464 WeakPolarHBondContact O-CB 3.45Å; K460-L464 PolarHBondContact O-N 3.11Å; K460-Y476 HydrophobicContact CB-CE2 4.09Å; K460-Y478 HydrophobicContact CB-CD1 3.98Å; K460-Y478 HydrophobicContact CB-CD2 4.2Å; K460-Y478 HydrophobicContact CB-CE1 4.38Å; K460-Y478 HydrophobicContact CB-CG 3.87Å; K460-Y478 HydrophobicContact CG-CD1 4.01Å; K460-Y478 HydrophobicContact CG-CD2 3.73Å; K460-Y478 HydrophobicContact CG-CE1 3.98Å; K460-Y478 HydrophobicContact CG-CE2 3.72Å; K460-Y478 HydrophobicContact CG-CG 3.87Å
461S98.2Very high96.7Very high0 Ų025.3 Ų25.30%015%0.146CC..Hα-helixtrans-68.7-39.3174.459.20000111L427 G437 H457 L464 A465L427-S461 VanDerWaalsContact CD1-O 3.29Å; L427-S461 WeakPolarHBondContact CD1-O 3.31Å; G437-S461 PolarHBondContact N-OG 3.27Å; H457-S461 VanDerWaalsContact O-CB 3.27Å; H457-S461 WeakPolarHBondContact O-CB 3.39Å; H457-S461 PolarHBondContact O-N 3.16Å; H457-S461 PolarHBondContact O-OG 3.29Å; S461-L464 PolarHBondContact O-N 3.39Å; S461-A465 VanDerWaalsContact O-CB 3.32Å; S461-A465 WeakPolarHBondContact O-CB 3.3Å; S461-A465 PolarHBondContact O-N 3.45Å
462G98.6Very high96.7Very high0 Ų025 Ų250%015%0.153CC..Hα-helixtrans-60.3-50.317400000112.3A138 A142 A458 E459 L464 A465 G466A138-G462 VanDerWaalsContact O-CA 3.32Å; A138-G462 WeakPolarHBondContact O-CA 3.48Å; A142-G462 WeakPolarHBondContact CA-O 3.34Å; A142-G462 WeakPolarHBondContact CB-O 3.26Å; A142-G462 PolarHBondContact N-O 3.3Å; A458-G462 PolarHBondContact O-N 2.96Å; E459-G462 PolarHBondContact O-N 2.81Å; G462-L464 PolarHBondContact O-N 3.29Å; G462-A465 PolarHBondContact O-N 3.49Å; G462-G466 PolarHBondContact O-N 2.99Å
463A98.6Very high96.8Very high24 Ų2426.2 Ų26.220%0.19817%0.168CC..Hα-helixtrans-58.9-45.7176.700000112.1A141 A145 E459 G466 H467A141-A463 HydrophobicContact CB-CB 4.29Å; A145-A463 HydrophobicContact CB-CB 4.39Å; A145-A463 WeakPolarHBondContact CB-O 3.35Å; E459-A463 WeakPolarHBondContact O-CB 3.33Å; E459-A463 PolarHBondContact O-N 3.09Å; A463-G466 PolarHBondContact O-N 3.41Å; A463-H467 PolarHBondContact O-CD2 3.06Å; A463-H467 PolarHBondContact O-N 3.19Å
464L98.5Very high96.9Very high19 Ų1928.3 Ų28.310%0.09918%0.176CC..Hα-helixtrans-62.5-46.7177.4-178.966.8000112L427 K460 S461 G462 G466 H467 N468 K474 Y476L427-L464 HydrophobicContact CD1-CB 4.12Å; L427-L464 HydrophobicContact CD1-CD2 3.94Å; L427-L464 HydrophobicContact CD1-CG 4.24Å; L427-L464 HydrophobicContact CG-CD2 4.2Å; K460-L464 WeakPolarHBondContact O-CB 3.45Å; K460-L464 PolarHBondContact O-N 3.11Å; S461-L464 PolarHBondContact O-N 3.39Å; G462-L464 PolarHBondContact O-N 3.29Å; L464-G466 VanDerWaalsContact C-N 3.26Å; L464-G466 PolarHBondContact O-N 3.13Å; L464-H467 PolarHBondContact O-N 3Å; L464-H467 VanDerWaalsContact O-N 3.12Å; L464-N468 PolarHBondContact O-N 2.81Å; L464-K474 HydrophobicContact CD1-CB 3.62Å; L464-Y476 HydrophobicContact CB-CD2 4.27Å; L464-Y476 VanDerWaalsContact CD2-CB 3.41Å; L464-Y476 HydrophobicContact CD2-CD2 3.52Å; L464-Y476 HydrophobicContact CD2-CG 3.92Å
465A98.8Very high97.1Very high0 Ų030 Ų300%019%0.189CC..Hα-helixtrans-57.4-43.5177.100000110.5L251 L427 A436 S461 G462 H467 N468 M469L251-A465 HydrophobicContact CD1-CB 3.77Å; L427-A465 HydrophobicContact CD1-CB 4.25Å; A436-A465 HydrophobicContact CB-CB 4.32Å; S461-A465 VanDerWaalsContact O-CB 3.32Å; S461-A465 WeakPolarHBondContact O-CB 3.3Å; S461-A465 PolarHBondContact O-N 3.45Å; G462-A465 PolarHBondContact O-N 3.49Å; A465-H467 PolarHBondContact O-N 3.39Å; A465-N468 PolarHBondContact O-N 3.12Å; A465-M469 WeakPolarHBondContact O-CB 3.47Å; A465-M469 WeakPolarHBondContact O-CG 3.29Å; A465-M469 PolarHBondContact O-N 3.26Å
466G98.7Very high97.2Very high0 Ų028.6 Ų28.60%018%0.183CC..Hα-helixtrans-60-42.5174.700000113.8I146 G462 A463 L464 S470I146-G466 WeakPolarHBondContact CG1-O 3.37Å; G462-G466 PolarHBondContact O-N 2.99Å; A463-G466 PolarHBondContact O-N 3.41Å; L464-G466 VanDerWaalsContact C-N 3.26Å; L464-G466 PolarHBondContact O-N 3.13Å; G466-S470 PolarHBondContact O-N 2.97Å; G466-S470 PolarHBondContact O-OG 3.3Å
467H98.6Very high97Very high39 Ų3933 Ų3318%0.18121%0.213CC..Hα-helixtrans-64.3-40.1173.8-69.8-53.5000112.4E148 N149 A463 L464 A465 S470 G471 A472E148-H467 IonicContact OE2-CE1 2.76Å; E148-H467 PolarHBondContact OE2-CE1 3.31Å; N149-H467 PolarHBondContact ND2-ND1 2.96Å; A463-H467 PolarHBondContact O-CD2 3.06Å; A463-H467 PolarHBondContact O-N 3.19Å; L464-H467 PolarHBondContact O-N 3Å; L464-H467 VanDerWaalsContact O-N 3.12Å; A465-H467 PolarHBondContact O-N 3.39Å; H467-S470 WeakPolarHBondContact CA-OG 3.43Å; H467-S470 CarbonylContact O-C 3.43Å; H467-S470 PolarHBondContact O-N 2.75Å; H467-S470 PolarHBondContact O-OG 3.08Å; H467-G471 PolarHBondContact O-N 3.23Å; H467-A472 HydrophobicContact CB-CB 3.83Å; H467-A472 WeakPolarHBondContact O-CB 3.43Å; H467-A472 PolarHBondContact O-N 2.94Å
468N98.6Very high96.7Very high5 Ų535 Ų353%0.02722%0.221CC..Hα-helixtrans-73.4-38.3-179.1-69.9-8.8000112.2E426 Y434 L464 A465 S470 G471 G473 K474E426-N468 PolarHBondContact O-ND2 2.94Å; Y434-N468 HydrophobicContact CD1-CB 4.43Å; Y434-N468 HydrophobicContact CE1-CB 3.67Å; Y434-N468 PolarHBondContact OH-O 3.11Å; L464-N468 PolarHBondContact O-N 2.81Å; A465-N468 PolarHBondContact O-N 3.12Å; N468-S470 PolarHBondContact O-N 3.1Å; N468-G471 PolarHBondContact O-N 3.43Å; N468-G473 PolarHBondContact OD1-N 3.36Å; N468-K474 PolarHBondContact ND2-O 2.85Å; N468-K474 PolarHBondContact OD1-N 3.14Å
469M98.6Very high96.2Very high5 Ų536.5 Ų36.53%0.02523%0.228CC..Hα-helixtrans-57.4-31.2171.2-72.8171.385.800112.2Y130 L132 I146 K249 L251 Y434 A465Y130-M469 HydrophobicContact CD1-CB 4.36Å; Y130-M469 HydrophobicContact CD1-CE 4.27Å; Y130-M469 HydrophobicContact CE1-CB 4.33Å; L132-M469 HydrophobicContact CD2-CE 3.79Å; L132-M469 HydrophobicContact CD2-SD 4.12Å; I146-M469 HydrophobicContact CD1-SD 4.26Å; K249-M469 HydrophobicContact CB-CB 4.36Å; K249-M469 HydrophobicContact CB-CE 3.61Å; K249-M469 HydrophobicContact CB-CG 4.35Å; L251-M469 HydrophobicContact CB-CE 4.01Å; L251-M469 HydrophobicContact CB-SD 3.85Å; Y434-M469 HydrophobicContact CD1-CG 4.39Å; Y434-M469 HydrophobicContact CD2-CG 3.3Å; Y434-M469 HydrophobicContact CD2-SD 4.2Å; Y434-M469 HydrophobicContact CE1-CG 4.45Å; Y434-M469 HydrophobicContact CE2-CB 4.25Å; Y434-M469 HydrophobicContact CE2-CG 3.4Å; Y434-M469 HydrophobicContact CG-CG 3.84Å; A465-M469 WeakPolarHBondContact O-CB 3.47Å; A465-M469 WeakPolarHBondContact O-CG 3.29Å; A465-M469 PolarHBondContact O-N 3.26Å
470S97.7Very high95.5Very high30 Ų3034.8 Ų34.821%0.2122%0.221CC..THydrogen-bonded Turntrans-97.817.2176.852.90000113.6N149 G466 H467 N468N149-S470 WeakPolarHBondContact CB-OG 3.33Å; N149-S470 PolarHBondContact ND2-OG 3.26Å; G466-S470 PolarHBondContact O-N 2.97Å; G466-S470 PolarHBondContact O-OG 3.3Å; H467-S470 WeakPolarHBondContact CA-OG 3.43Å; H467-S470 CarbonylContact O-C 3.43Å; H467-S470 PolarHBondContact O-N 2.75Å; H467-S470 PolarHBondContact O-OG 3.08Å; N468-S470 PolarHBondContact O-N 3.1Å
471G95.6Very high95.2Very high69 Ų6932.8 Ų32.871%0.71121%0.213SC*.THydrogen-bonded Turntrans97.511.416600000116.9H467 N468H467-G471 PolarHBondContact O-N 3.23Å; N468-G471 PolarHBondContact O-N 3.43Å
472A96.2Very high94.9Very high36 Ų3633.7 Ų33.730%0.29822%0.217SC..  trans-74-29.7-177.400000115.3H467 K474H467-A472 HydrophobicContact CB-CB 3.83Å; H467-A472 WeakPolarHBondContact O-CB 3.43Å; H467-A472 PolarHBondContact O-N 2.94Å; A472-K474 HydrophobicContact CB-CD 4.21Å; A472-K474 HydrophobicContact CB-CG 4.2Å; A472-K474 PolarHBondContact O-N 3.48Å
473G95.1Very high94.5Very high40 Ų4034.7 Ų34.741%0.41223%0.227SC..  trans55.745.3178.600000114.5N468N468-G473 PolarHBondContact OD1-N 3.36Å
474K96.7Very high94.1Very high114 Ų11433.5 Ų33.550%0.49622%0.218SC..  trans-104.1141.5-175.2-71.4177-175.9172.80111.8L464 N468 A472L464-K474 HydrophobicContact CD1-CB 3.62Å; N468-K474 PolarHBondContact ND2-O 2.85Å; N468-K474 PolarHBondContact OD1-N 3.14Å; A472-K474 HydrophobicContact CB-CD 4.21Å; A472-K474 HydrophobicContact CB-CG 4.2Å; A472-K474 PolarHBondContact O-N 3.48Å
475P95.8Very high93.6Very high64 Ų6433.1 Ų33.142%0.41622%0.218SC..  trans-77.6151.4176.532-35.5000112.6I425 S477I425-P475 HydrophobicContact CB-CB 4.28Å; I425-P475 HydrophobicContact CD1-CB 4.31Å; I425-P475 HydrophobicContact CG1-CB 4.45Å; I425-P475 CarbonylContact O-C 3.42Å; I425-P475 VanDerWaalsContact O-CA 3.23Å; I425-P475 WeakPolarHBondContact O-CA 3.26Å; P475-S477 PolarHBondContact O-N 2.95Å
476Y94.8Very high93Very high10 Ų1033.1 Ų33.14%0.03922%0.218CC..  trans-82.5101.4172.7-166.1-116000111I425 L427 Y442 H457 K460 L464 Y478I425-Y476 PolarHBondContact O-N 2.84Å; L427-Y476 HydrophobicContact CD1-CD2 4.33Å; L427-Y476 HydrophobicContact CD1-CG 4.47Å; L427-Y476 HydrophobicContact CD2-CD1 4.43Å; L427-Y476 HydrophobicContact CD2-CG 4.16Å; Y442-Y476 HydrophobicContact CD1-CD1 4.44Å; Y442-Y476 HydrophobicContact CD1-CE1 4.17Å; Y442-Y476 AromaticContact CD2-CD1 3.45Å; Y442-Y476 HydrophobicContact CD2-CD1 3.45Å; Y442-Y476 VanDerWaalsContact CD2-CD1 3.45Å; Y442-Y476 AromaticContact CD2-CE1 3.78Å; Y442-Y476 HydrophobicContact CD2-CE1 3.78Å; Y442-Y476 HydrophobicContact CE1-CE1 4.12Å; Y442-Y476 AromaticContact CE2-CD1 3.78Å; Y442-Y476 HydrophobicContact CE2-CD1 3.78Å; Y442-Y476 AromaticContact CE2-CE1 3.72Å; Y442-Y476 HydrophobicContact CE2-CE1 3.72Å; Y442-Y476 AromaticContact CG-CD1 3.79Å; Y442-Y476 HydrophobicContact CG-CD1 3.79Å; Y442-Y476 AromaticContact CG-CE1 3.98Å; Y442-Y476 HydrophobicContact CG-CE1 3.98Å; Y442-Y476 AromaticContact CZ-CE1 3.88Å; H457-Y476 AromaticContact CE1-CE1 3.81Å; H457-Y476 AromaticContact CE1-CZ 3.96Å; H457-Y476 AromaticContact ND1-CE1 3.67Å; H457-Y476 AromaticContact ND1-CZ 3.56Å; H457-Y476 PolarHBondContact ND1-OH 3.43Å; K460-Y476 HydrophobicContact CB-CE2 4.09Å; L464-Y476 HydrophobicContact CB-CD2 4.27Å; L464-Y476 VanDerWaalsContact CD2-CB 3.41Å; L464-Y476 HydrophobicContact CD2-CD2 3.52Å; L464-Y476 HydrophobicContact CD2-CG 3.92Å; Y476-Y478 WeakPolarHBondContact OH-CD1 3.43Å
477S89.8Confident92.2Very high107 Ų10733.2 Ų33.275%0.74822%0.219SC*.  trans-11517.718068.60000113.1P475 L479P475-S477 PolarHBondContact O-N 2.95Å; S477-L479 PolarHBondContact O-N 2.82Å
478Y90.2Very high91.2Very high45 Ų4532.7 Ų32.718%0.17622%0.219CC..PPolyproline II helixtrans-72.4122.8-177179.8-107.8000111S456 K460 Y476 S480S456-Y478 WeakPolarHBondContact CB-OH 3.35Å; K460-Y478 HydrophobicContact CB-CD1 3.98Å; K460-Y478 HydrophobicContact CB-CD2 4.2Å; K460-Y478 HydrophobicContact CB-CE1 4.38Å; K460-Y478 HydrophobicContact CB-CG 3.87Å; K460-Y478 HydrophobicContact CG-CD1 4.01Å; K460-Y478 HydrophobicContact CG-CD2 3.73Å; K460-Y478 HydrophobicContact CG-CE1 3.98Å; K460-Y478 HydrophobicContact CG-CE2 3.72Å; K460-Y478 HydrophobicContact CG-CG 3.87Å; Y476-Y478 WeakPolarHBondContact OH-CD1 3.43Å; Y478-S480 PolarHBondContact O-N 2.88Å
479L86.5Confident90.3Very high39 Ų3935.4 Ų35.420%0.20424%0.239CC..PPolyproline II helixtrans-73.2120.5172.1-172.265.3000109.9S477 Q481 V495 L568S477-L479 PolarHBondContact O-N 2.82Å; L479-Q481 PolarHBondContact O-N 2.9Å; L479-V495 HydrophobicContact CD2-CG1 3.64Å; L479-V495 HydrophobicContact CG-CG1 4.27Å; L479-L568 HydrophobicContact CD2-CB 3.59Å; L479-L568 HydrophobicContact CD2-CD1 3.65Å; L479-L568 HydrophobicContact CD2-CG 4.27Å
480S83.3Confident89.9Confident15 Ų1535.1 Ų35.111%0.10524%0.237CC..PPolyproline II helixtrans-51.6137.1178.1-174.40000111.8V452 H454 Y478 G496V452-S480 WeakPolarHBondContact CG1-OG 3.49Å; H454-S480 PolarHBondContact CD2-OG 2.96Å; Y478-S480 PolarHBondContact O-N 2.88Å; S480-G496 PolarHBondContact O-N 3.3Å
481Q90.8Very high89.5Confident28 Ų2835 Ų3513%0.13123%0.233CC..EExtended strand (participates in β ladder)trans-142.7136.1177.3177.8-176.1-43.600109.3S456 L479 V493 A494 V495S456-Q481 PolarHBondContact OG-O 3.41Å; L479-Q481 PolarHBondContact O-N 2.9Å; Q481-V493 HydrophobicContact CG-CG1 3.71Å; Q481-A494 CarbonylContact C-O 3.56Å; Q481-A494 VanDerWaalsContact CA-O 3.23Å; Q481-A494 WeakPolarHBondContact CA-O 3.46Å; Q481-A494 WeakPolarHBondContact CG-O 3.47Å; Q481-V495 HydrophobicContact CG-CG2 4.28Å
482F92.2Very high89.5Confident18 Ų1831.9 Ų31.98%0.07920%0.2CC..EExtended strand (participates in β ladder)trans-138.4157.7168.164.4-84.2000110.4L304 F337 H454 F492 V493 A494 V498L304-F482 HydrophobicContact CD1-CD2 3.67Å; L304-F482 HydrophobicContact CD1-CE2 3.98Å; L304-F482 HydrophobicContact CD1-CG 4.41Å; L304-F482 HydrophobicContact CD2-CD2 4.02Å; L304-F482 HydrophobicContact CD2-CE2 4.02Å; L304-F482 HydrophobicContact CG-CD2 4.5Å; F337-F482 HydrophobicContact CB-CZ 4.25Å; F337-F482 HydrophobicContact CD1-CE1 4.25Å; F337-F482 HydrophobicContact CD1-CE2 4.28Å; F337-F482 AromaticContact CD1-CZ 3.53Å; F337-F482 HydrophobicContact CD1-CZ 3.53Å; F337-F482 HydrophobicContact CD2-CE2 4.38Å; F337-F482 HydrophobicContact CD2-CZ 4.41Å; F337-F482 HydrophobicContact CE1-CE1 4.36Å; F337-F482 AromaticContact CE1-CZ 3.91Å; F337-F482 HydrophobicContact CE1-CZ 3.91Å; F337-F482 HydrophobicContact CG-CE2 4.18Å; F337-F482 AromaticContact CG-CZ 3.81Å; F337-F482 HydrophobicContact CG-CZ 3.81Å; F337-F482 HydrophobicContact CZ-CZ 4.49Å; H454-F482 HydrophobicContact CB-CB 4.37Å; H454-F482 AromaticContact CD2-CD1 3.59Å; H454-F482 AromaticContact CD2-CG 3.96Å; H454-F482 AromaticContact CE1-CD1 3.81Å; H454-F482 AromaticContact CE1-CG 3.9Å; H454-F482 AromaticContact NE2-CD1 3.14Å; H454-F482 WeakPolarHBondContact NE2-CD1 3.32Å; H454-F482 AromaticContact NE2-CE1 3.76Å; H454-F482 AromaticContact NE2-CG 3.65Å; F482-F492 HydrophobicContact CD2-CE2 4.21Å; F482-F492 AromaticContact CE2-CE2 3.85Å; F482-F492 HydrophobicContact CE2-CE2 3.85Å; F482-V493 CarbonylContact O-C 3.6Å; F482-V493 WeakPolarHBondContact O-CA 3.31Å; F482-A494 HydrophobicContact CD1-CB 3.73Å; F482-A494 HydrophobicContact CD2-CB 4.14Å; F482-A494 HydrophobicContact CE1-CB 3.33Å; F482-A494 HydrophobicContact CE2-CB 3.77Å; F482-A494 HydrophobicContact CG-CB 4.13Å; F482-A494 HydrophobicContact CZ-CB 3.34Å; F482-A494 PolarHBondContact N-O 2.87Å; F482-A494 PolarHBondContact O-N 3.3Å; F482-V498 HydrophobicContact CE1-CB 4.4Å; F482-V498 HydrophobicContact CZ-CB 4.45Å; F482-V498 HydrophobicContact CZ-CG1 4.3Å
483G89.6Confident89.5Confident21 Ų2130.6 Ų30.622%0.21619%0.188CC..EExtended strand (participates in β ladder)trans-145.4150.6178.700000111.2K173 F492K173-G483 PolarHBondContact NZ-O 3.11Å; G483-F492 CarbonylContact C-O 3.6Å; G483-F492 WeakPolarHBondContact CA-O 3.39Å
484S90.3Very high89.5Confident0 Ų028.7 Ų28.70%017%0.168CC..EExtended strand (participates in β ladder)trans-140.3156.2-179.2-166.70000110.5E308 K491 F492E308-S484 WeakPolarHBondContact CG-OG 3.29Å; E308-S484 WeakPolarHBondContact OE1-CA 3.47Å; E308-S484 WeakPolarHBondContact OE1-CB 3.23Å; E308-S484 PolarHBondContact OE1-OG 3.06Å; S484-K491 CarbonylContact O-C 3.34Å; S484-K491 VanDerWaalsContact O-CA 3.27Å; S484-K491 WeakPolarHBondContact O-CA 3.38Å; S484-F492 VanDerWaalsContact CB-CE1 3.48Å; S484-F492 PolarHBondContact N-O 2.99Å; S484-F492 PolarHBondContact O-N 2.98Å
485G87.9Confident89.4Confident11 Ų1123.2 Ų23.211%0.11315%0.145CC..EExtended strand (participates in β ladder)trans-125.8120.7170.500000109.2G487 L490G485-G487 PolarHBondContact O-N 2.82Å; G485-L490 CarbonylContact C-O 3.57Å; G485-L490 VanDerWaalsContact CA-O 3.27Å; G485-L490 WeakPolarHBondContact CA-O 3.47Å
486L86.7Confident89.2Confident0 Ų020.8 Ų20.80%013%0.131CC..EExtended strand (participates in β ladder)trans-96.683.9171.6-53.4-165.5000107.8T307 L334 M350 L490T307-L486 HydrophobicContact CG2-CD1 3.71Å; T307-L486 HydrophobicContact CG2-CD2 3.43Å; T307-L486 VanDerWaalsContact CG2-CD2 3.43Å; T307-L486 HydrophobicContact CG2-CG 4.21Å; L334-L486 HydrophobicContact CD1-CD1 4.06Å; L334-L486 HydrophobicContact CD1-CD2 4.44Å; M350-L486 HydrophobicContact SD-CD1 4.44Å; L486-L490 HydrophobicContact CB-CB 4.2Å; L486-L490 HydrophobicContact CB-CD2 3.79Å; L486-L490 HydrophobicContact CB-CG 4.1Å; L486-L490 HydrophobicContact CD1-CD2 3.67Å; L486-L490 HydrophobicContact CG-CD2 3.87Å; L486-L490 HydrophobicContact CG-CG 4.37Å; L486-L490 PolarHBondContact N-O 2.78Å
487G82.4Confident89Confident2 Ų223 Ų232%0.02114%0.142CC..THydrogen-bonded Turntrans71-154.2-175.800000113.7G485G485-G487 PolarHBondContact O-N 2.82Å
488P76.6Confident89.1Confident28 Ų2818.5 Ų18.518%0.18211%0.11CC..THydrogen-bonded Turntrans-74.1-34.2-166.3-5.211.8000113.2Y62Y62-P488 HydrophobicContact CD1-CB 3.45Å; Y62-P488 VanDerWaalsContact CD1-CB 3.45Å; Y62-P488 HydrophobicContact CD1-CG 3.56Å; Y62-P488 HydrophobicContact CE1-CB 3.56Å; Y62-P488 HydrophobicContact CE1-CG 3.27Å
489S80.5Confident89.2Confident61 Ų6117.6 Ų17.643%0.42711%0.11SC..THydrogen-bonded Turntrans-110.5-17.3-155.7340000113.4H349 N556H349-S489 PolarHBondContact CE1-OG 3.23Å; H349-S489 PolarHBondContact NE2-OG 2.98Å; S489-N556 PolarHBondContact O-ND2 2.91Å; S489-N556 PolarHBondContact O-OD1 3.09Å
490L88.6Confident89.4Confident0 Ų018.1 Ų18.10%012%0.117CC..EExtended strand (participates in β ladder)trans-117120.3178.1171.658000110.1W345 G485 L486 W555W345-L490 HydrophobicContact CE3-CD2 4.34Å; W345-L490 HydrophobicContact CZ3-CB 4.39Å; W345-L490 HydrophobicContact CZ3-CD1 4.15Å; W345-L490 HydrophobicContact CZ3-CD2 3.85Å; W345-L490 HydrophobicContact CZ3-CG 4.33Å; G485-L490 CarbonylContact C-O 3.57Å; G485-L490 VanDerWaalsContact CA-O 3.27Å; G485-L490 WeakPolarHBondContact CA-O 3.47Å; L486-L490 HydrophobicContact CB-CB 4.2Å; L486-L490 HydrophobicContact CB-CD2 3.79Å; L486-L490 HydrophobicContact CB-CG 4.1Å; L486-L490 HydrophobicContact CD1-CD2 3.67Å; L486-L490 HydrophobicContact CG-CD2 3.87Å; L486-L490 HydrophobicContact CG-CG 4.37Å; L486-L490 PolarHBondContact N-O 2.78Å; L490-W555 HydrophobicContact CD1-CD2 3.7Å; L490-W555 HydrophobicContact CD1-CE3 4.17Å; L490-W555 HydrophobicContact CD1-CG 4.38Å; L490-W555 HydrophobicContact CD1-CH2 3.65Å; L490-W555 HydrophobicContact CD1-CZ2 3.15Å; L490-W555 HydrophobicContact CD1-CZ3 4.12Å; L490-W555 HydrophobicContact CD2-CH2 3.6Å; L490-W555 HydrophobicContact CD2-CZ2 3.46Å; L490-W555 VanDerWaalsContact CD2-CZ2 3.46Å; L490-W555 HydrophobicContact CG-CH2 4.16Å; L490-W555 HydrophobicContact CG-CZ2 3.92Å
491K91.2Very high89.8Confident28 Ų2822 Ų2212%0.12214%0.144CC..EExtended strand (participates in β ladder)trans-135147170.9-66.1165.3-164.6169.70109L56 L57 S484 N556L56-K491 WeakPolarHBondContact O-CD 3.46Å; L56-K491 WeakPolarHBondContact O-CE 2.94Å; L56-K491 PolarHBondContact O-NZ 3.29Å; L57-K491 HydrophobicContact CD2-CD 4.21Å; S484-K491 CarbonylContact O-C 3.34Å; S484-K491 VanDerWaalsContact O-CA 3.27Å; S484-K491 WeakPolarHBondContact O-CA 3.38Å; K491-N556 PolarHBondContact N-OD1 3.11Å; K491-N556 WeakPolarHBondContact O-CA 3.38Å; K491-N556 PolarHBondContact O-N 3.36Å; K491-N556 PolarHBondContact O-OD1 3.29Å
492F94.5Very high89.8Confident2 Ų221.9 Ų21.91%0.00914%0.144CC..EExtended strand (participates in β ladder)trans-141.5156.2170.366.4-96.5000111.6L304 L334 F482 G483 S484 L553 L554 W555L304-F492 HydrophobicContact CD2-CE2 4.23Å; L304-F492 HydrophobicContact CD2-CZ 3.74Å; L334-F492 HydrophobicContact CD1-CE1 3.55Å; L334-F492 HydrophobicContact CD1-CZ 3.72Å; F482-F492 HydrophobicContact CD2-CE2 4.21Å; F482-F492 AromaticContact CE2-CE2 3.85Å; F482-F492 HydrophobicContact CE2-CE2 3.85Å; G483-F492 CarbonylContact C-O 3.6Å; G483-F492 WeakPolarHBondContact CA-O 3.39Å; S484-F492 VanDerWaalsContact CB-CE1 3.48Å; S484-F492 PolarHBondContact N-O 2.99Å; S484-F492 PolarHBondContact O-N 2.98Å; F492-L553 HydrophobicContact CB-CD1 3.98Å; F492-L553 HydrophobicContact CD2-CD1 3.49Å; F492-L553 VanDerWaalsContact CD2-CD1 3.49Å; F492-L553 HydrophobicContact CE2-CD1 4.25Å; F492-L553 HydrophobicContact CG-CD1 3.97Å; F492-L554 CarbonylContact C-O 3.52Å; F492-L554 WeakPolarHBondContact CA-O 3.4Å; F492-L554 WeakPolarHBondContact CB-O 3.35Å; F492-W555 HydrophobicContact CB-CD2 4.43Å; F492-W555 HydrophobicContact CB-CE3 3.52Å; F492-W555 HydrophobicContact CB-CZ3 3.9Å; F492-W555 HydrophobicContact CD1-CE3 4.09Å; F492-W555 HydrophobicContact CD1-CH2 4.3Å; F492-W555 AromaticContact CD1-CZ3 3.53Å; F492-W555 HydrophobicContact CD1-CZ3 3.53Å; F492-W555 HydrophobicContact CE1-CZ3 4.29Å; F492-W555 HydrophobicContact CG-CE3 4.04Å; F492-W555 AromaticContact CG-CZ3 3.89Å; F492-W555 HydrophobicContact CG-CZ3 3.89Å
493V95.3Very high89.8Confident9 Ų924.4 Ų24.46%0.05516%0.163CC..EExtended strand (participates in β ladder)trans-128.8123.1171-176.10000107.9L56 Q481 F482 V495 L554 V561L56-V493 HydrophobicContact CD1-CG2 3.95Å; Q481-V493 HydrophobicContact CG-CG1 3.71Å; F482-V493 CarbonylContact O-C 3.6Å; F482-V493 WeakPolarHBondContact O-CA 3.31Å; V493-V495 HydrophobicContact CG1-CG2 4.2Å; V493-L554 HydrophobicContact CB-CB 4.43Å; V493-L554 HydrophobicContact CB-CD1 4.48Å; V493-L554 PolarHBondContact N-O 2.81Å; V493-L554 WeakPolarHBondContact O-CB 3.31Å; V493-L554 PolarHBondContact O-N 2.82Å; V493-V561 HydrophobicContact CB-CG2 4.13Å; V493-V561 HydrophobicContact CG1-CG2 3.73Å; V493-V561 HydrophobicContact CG2-CG2 4.38Å
494A95.5Very high89.9Confident0 Ų023.9 Ų23.90%016%0.155CC..EExtended strand (participates in β ladder)trans-97.2133172.400000109.1Q481 F482 V498 V552 L553Q481-A494 CarbonylContact C-O 3.56Å; Q481-A494 VanDerWaalsContact CA-O 3.23Å; Q481-A494 WeakPolarHBondContact CA-O 3.46Å; Q481-A494 WeakPolarHBondContact CG-O 3.47Å; F482-A494 HydrophobicContact CD1-CB 3.73Å; F482-A494 HydrophobicContact CD2-CB 4.14Å; F482-A494 HydrophobicContact CE1-CB 3.33Å; F482-A494 HydrophobicContact CE2-CB 3.77Å; F482-A494 HydrophobicContact CG-CB 4.13Å; F482-A494 HydrophobicContact CZ-CB 3.34Å; F482-A494 PolarHBondContact N-O 2.87Å; F482-A494 PolarHBondContact O-N 3.3Å; A494-V498 HydrophobicContact CB-CB 4.02Å; A494-V498 HydrophobicContact CB-CG1 4.08Å; A494-V498 HydrophobicContact CB-CG2 3.73Å; A494-V552 WeakPolarHBondContact CA-O 3.5Å; A494-L553 HydrophobicContact CB-CD1 4.12Å
495V94.2Very high90Very high0 Ų024.2 Ų24.20%016%0.157CC..EExtended strand (participates in β ladder)trans-127.5129.9177.8-170.80000108.3L479 Q481 V493 G551 V552 A564 L568L479-V495 HydrophobicContact CD2-CG1 3.64Å; L479-V495 HydrophobicContact CG-CG1 4.27Å; Q481-V495 HydrophobicContact CG-CG2 4.28Å; V493-V495 HydrophobicContact CG1-CG2 4.2Å; V495-G551 CarbonylContact O-C 3.48Å; V495-G551 VanDerWaalsContact O-CA 3.26Å; V495-G551 WeakPolarHBondContact O-CA 3.19Å; V495-V552 PolarHBondContact N-O 2.98Å; V495-V552 PolarHBondContact O-N 2.92Å; V495-A564 HydrophobicContact CB-CB 4.19Å; V495-A564 HydrophobicContact CG2-CB 4.07Å; V495-L568 HydrophobicContact CB-CD1 4.18Å; V495-L568 HydrophobicContact CG1-CD1 3.86Å; V495-L568 WeakPolarHBondContact O-CD1 3.27Å
496G91.9Very high90Very high12 Ų1223.8 Ų23.812%0.12415%0.152CC..EExtended strand (participates in β ladder)trans79.1-148.4-177.500000113.7S480 V498S480-G496 PolarHBondContact O-N 3.3Å; G496-V498 PolarHBondContact O-N 3.49Å
497E90.3Very high90.1Very high57 Ų5725.1 Ų25.127%0.26616%0.158SC..  trans-84.4100.6-177.6-168-178.7149.200111.1L502 Y543 R545 V550 G551E497-L502 HydrophobicContact CG-CD1 3.96Å; E497-Y543 WeakPolarHBondContact O-CB 3.48Å; E497-R545 IonicContact OE1-CZ 2.63Å; E497-R545 IonicContact OE1-NH2 3.97Å; E497-R545 PolarHBondContact OE1-NH2 3.22Å; E497-R545 IonicContact OE2-CZ 3.27Å; E497-R545 IonicContact OE2-NH1 3.74Å; E497-R545 IonicContact OE2-NH2 2.62Å; E497-R545 PolarHBondContact OE2-NH2 3.29Å; E497-V550 HydrophobicContact CB-CB 4.21Å; E497-V550 HydrophobicContact CB-CG2 4.14Å; E497-V550 PolarHBondContact N-O 2.89Å; E497-G551 WeakPolarHBondContact O-CA 3.47Å
498V92.5Very high90.4Very high12 Ų1225.6 Ų25.67%0.07316%0.159CC..  trans-112.7105.9178.9172.10000108.4F337 F482 A494 G496 Y543F337-V498 HydrophobicContact CB-CG1 4.15Å; F337-V498 WeakPolarHBondContact CD1-O 3.37Å; F482-V498 HydrophobicContact CE1-CB 4.4Å; F482-V498 HydrophobicContact CZ-CB 4.45Å; F482-V498 HydrophobicContact CZ-CG1 4.3Å; A494-V498 HydrophobicContact CB-CB 4.02Å; A494-V498 HydrophobicContact CB-CG1 4.08Å; A494-V498 HydrophobicContact CB-CG2 3.73Å; G496-V498 PolarHBondContact O-N 3.49Å; V498-Y543 HydrophobicContact CB-CE2 4.4Å; V498-Y543 HydrophobicContact CG1-CD2 4.44Å; V498-Y543 HydrophobicContact CG1-CE1 4.03Å; V498-Y543 HydrophobicContact CG1-CE2 3.86Å; V498-Y543 HydrophobicContact CG2-CD2 4Å; V498-Y543 HydrophobicContact CG2-CE2 4.07Å
499S92.1Very high90.6Very high27 Ų2729.4 Ų29.419%0.18917%0.173CC..  trans-142.9134.7177.1179.40000109.7R336 S501 L502 Y543R336-S499 WeakPolarHBondContact O-CA 3.26Å; S499-S501 PolarHBondContact O-N 3.48Å; S499-S501 VanDerWaalsContact O-N 3.14Å; S499-S501 PolarHBondContact OG-N 3.47Å; S499-S501 PolarHBondContact OG-OG 3.43Å; S499-L502 WeakPolarHBondContact O-CB 3.44Å; S499-L502 PolarHBondContact O-N 3.02Å; S499-L502 VanDerWaalsContact O-N 3.09Å; S499-Y543 WeakPolarHBondContact O-CD1 3.4Å; S499-Y543 VanDerWaalsContact O-CE1 3.25Å; S499-Y543 WeakPolarHBondContact O-CE1 3.18Å
500S91.4Very high89.9Confident50 Ų5030 Ų3035%0.3519%0.188SC..THydrogen-bonded Turntrans-65.1-13.717661.70000113.7S335 R336 L338 L502S335-S500 WeakPolarHBondContact O-CB 3.4Å; S335-S500 PolarHBondContact O-OG 2.91Å; R336-S500 PolarHBondContact O-N 3.24Å; R336-S500 PolarHBondContact O-OG 3.49Å; L338-S500 WeakPolarHBondContact O-CB 3.49Å; S500-L502 VanDerWaalsContact C-N 3.26Å
501S90.7Very high88.5Confident97 Ų9734.4 Ų34.468%0.67821%0.208SC*.THydrogen-bonded Turntrans-74.2-15.1173.566.30000113.6S499S499-S501 PolarHBondContact O-N 3.48Å; S499-S501 VanDerWaalsContact O-N 3.14Å; S499-S501 PolarHBondContact OG-N 3.47Å; S499-S501 PolarHBondContact OG-OG 3.43Å
502L92.1Very high86.2Confident24 Ų2443.1 Ų43.113%0.12625%0.245CC..SBendtrans-87.7149.7178.4-63.4169.7000110.6E497 S499 S500 T504 Y543 V550E497-L502 HydrophobicContact CG-CD1 3.96Å; S499-L502 WeakPolarHBondContact O-CB 3.44Å; S499-L502 PolarHBondContact O-N 3.02Å; S499-L502 VanDerWaalsContact O-N 3.09Å; S500-L502 VanDerWaalsContact C-N 3.26Å; L502-T504 PolarHBondContact O-N 3.37Å; L502-Y543 HydrophobicContact CB-CD1 4.2Å; L502-Y543 HydrophobicContact CD1-CD1 4.31Å; L502-V550 HydrophobicContact CD1-CG2 3.84Å
503P92.5Very high83.7Confident72 Ų7244.8 Ų44.847%0.46826%0.264SS..  trans-54.6136.7165.2-23.332.3000111.2L544P503-L544 HydrophobicContact CB-CB 4.4Å; P503-L544 WeakPolarHBondContact CD-O 3.36Å; P503-L544 PolarHBondContact O-N 3.42Å
504T91.9Very high80.8Confident9 Ų947 Ų476%0.05529%0.288CS..EExtended strand (participates in β ladder)trans-126.9147.8-179.457.30000112.9P339 L502 L520 V541 F542 Y543P339-T504 HydrophobicContact CG-CG2 4.07Å; L502-T504 PolarHBondContact O-N 3.37Å; T504-L520 PolarHBondContact O-N 3.25Å; T504-V541 HydrophobicContact CG2-CG1 4.1Å; T504-F542 CarbonylContact C-O 3.56Å; T504-F542 VanDerWaalsContact CA-O 3.23Å; T504-F542 WeakPolarHBondContact CA-O 3.47Å; T504-Y543 HydrophobicContact CG2-CD1 3.48Å; T504-Y543 VanDerWaalsContact CG2-CD1 3.48Å; T504-Y543 HydrophobicContact CG2-CE1 3.43Å; T504-Y543 VanDerWaalsContact CG2-CE1 3.43Å; T504-Y543 HydrophobicContact CG2-CE2 4.43Å; T504-Y543 HydrophobicContact CG2-CG 4.03Å
505V90.3Very high78Confident8 Ų851.8 Ų51.85%0.04831%0.314CS..EExtended strand (participates in β ladder)trans-127.8116.5171-176.90000109.6Y507 I518 V541 F542 L544 L577V505-Y507 HydrophobicContact CG1-CD2 4.33Å; V505-Y507 HydrophobicContact CG1-CE2 3.65Å; V505-I518 VanDerWaalsContact CA-O 3.31Å; V505-I518 WeakPolarHBondContact CA-O 3.41Å; V505-V541 WeakPolarHBondContact O-CA 3.48Å; V505-F542 PolarHBondContact N-O 3.25Å; V505-F542 PolarHBondContact O-N 3.41Å; V505-L544 HydrophobicContact CG2-CD1 3.95Å; V505-L577 HydrophobicContact CB-CD1 3.81Å; V505-L577 HydrophobicContact CG1-CD1 4.01Å; V505-L577 HydrophobicContact CG2-CD1 3.62Å
506G89.9Confident75.4Confident1 Ų159.9 Ų59.91%0.0135%0.351CS..EExtended strand (participates in β ladder)trans-104.8136-177.800000113.7I518 V540G506-I518 PolarHBondContact N-O 2.75Å; G506-I518 VanDerWaalsContact N-O 3.11Å; G506-I518 PolarHBondContact O-N 3.09Å; G506-V540 WeakPolarHBondContact CA-O 3.42Å
507Y88Confident73.2Confident28 Ų2860 Ų6011%0.1135%0.353CS..EExtended strand (participates in β ladder)trans-122.9124.4172.2-67.1-91.8000110V505 N515 G517 G539 V540 F542 L577 S578 V581V505-Y507 HydrophobicContact CG1-CD2 4.33Å; V505-Y507 HydrophobicContact CG1-CE2 3.65Å; Y507-N515 WeakPolarHBondContact CE1-O 3.4Å; Y507-N515 PolarHBondContact OH-O 3.41Å; Y507-G517 VanDerWaalsContact CZ-CA 3.42Å; Y507-G517 PolarHBondContact OH-N 2.86Å; Y507-G539 CarbonylContact O-C 3.52Å; Y507-G539 WeakPolarHBondContact O-CA 3.31Å; Y507-V540 PolarHBondContact N-O 2.94Å; Y507-V540 PolarHBondContact O-N 2.95Å; Y507-F542 HydrophobicContact CD2-CD2 4.01Å; Y507-F542 AromaticContact CD2-CE2 3.73Å; Y507-F542 HydrophobicContact CD2-CE2 3.73Å; Y507-F542 AromaticContact CE2-CD2 3.95Å; Y507-F542 HydrophobicContact CE2-CD2 3.95Å; Y507-F542 AromaticContact CE2-CE2 3.81Å; Y507-F542 HydrophobicContact CE2-CE2 3.81Å; Y507-L577 HydrophobicContact CE2-CB 4.13Å; Y507-S578 PolarHBondContact OH-N 2.87Å; Y507-V581 VanDerWaalsContact CB-CG2 3.46Å; Y507-V581 HydrophobicContact CD1-CB 4.19Å; Y507-V581 HydrophobicContact CD1-CG1 3.92Å; Y507-V581 HydrophobicContact CD1-CG2 3.99Å; Y507-V581 HydrophobicContact CD2-CB 3.98Å; Y507-V581 HydrophobicContact CD2-CG2 3.87Å; Y507-V581 HydrophobicContact CE1-CB 4.43Å; Y507-V581 HydrophobicContact CE1-CG1 3.95Å; Y507-V581 HydrophobicContact CE2-CB 4.25Å; Y507-V581 HydrophobicContact CG-CB 3.95Å; Y507-V581 HydrophobicContact CG-CG1 4.21Å; Y507-V581 HydrophobicContact CG-CG2 3.51Å
508F87.5Confident71.4Confident13 Ų1359 Ų596%0.05735%0.349CS..EExtended strand (participates in β ladder)trans-128.9149.3-174.4-65-88.3000112.1Y341 L342 G510 F511 F536 K538 V541 W555Y341-F508 AromaticContact CE2-CE2 3.66Å; Y341-F508 HydrophobicContact CE2-CE2 3.66Å; Y341-F508 AromaticContact CE2-CZ 3.74Å; Y341-F508 HydrophobicContact CE2-CZ 3.74Å; L342-F508 HydrophobicContact CD1-CZ 4.1Å; L342-F508 HydrophobicContact CD2-CE1 3.82Å; L342-F508 HydrophobicContact CD2-CZ 3.72Å; L342-F508 HydrophobicContact CG-CZ 4.18Å; F508-G510 PolarHBondContact O-N 3.08Å; F508-F511 PolarHBondContact O-N 2.92Å; F508-F536 HydrophobicContact CB-CD1 4.49Å; F508-F536 HydrophobicContact CD1-CB 4.29Å; F508-F536 AromaticContact CD1-CD1 3.71Å; F508-F536 HydrophobicContact CD1-CD1 3.71Å; F508-F536 AromaticContact CD2-CD1 3.72Å; F508-F536 HydrophobicContact CD2-CD1 3.72Å; F508-F536 AromaticContact CD2-CE1 3.86Å; F508-F536 HydrophobicContact CD2-CE1 3.86Å; F508-F536 HydrophobicContact CE1-CB 4.38Å; F508-F536 AromaticContact CE1-CD1 3.78Å; F508-F536 HydrophobicContact CE1-CD1 3.78Å; F508-F536 AromaticContact CE2-CD1 3.78Å; F508-F536 HydrophobicContact CE2-CD1 3.78Å; F508-F536 AromaticContact CE2-CE1 3.89Å; F508-F536 HydrophobicContact CE2-CE1 3.89Å; F508-F536 AromaticContact CG-CD1 3.69Å; F508-F536 HydrophobicContact CG-CD1 3.69Å; F508-F536 HydrophobicContact CG-CE1 4.26Å; F508-F536 AromaticContact CZ-CD1 3.83Å; F508-F536 HydrophobicContact CZ-CD1 3.83Å; F508-F536 HydrophobicContact CZ-CE1 4.33Å; F508-K538 WeakPolarHBondContact CA-O 3.44Å; F508-V541 HydrophobicContact CE2-CG2 4.3Å; F508-V541 HydrophobicContact CZ-CG2 3.74Å; F508-W555 HydrophobicContact CE1-CB 4.5Å; F508-W555 HydrophobicContact CE1-CG 4.43Å
509K81.4Confident69.1Low108 Ų10862.3 Ų62.347%0.4737%0.373SS..THydrogen-bonded Turntrans-57.5135.8178.4-176.7178.9-179.8177.60110.8F511 K538K509-F511 VanDerWaalsContact C-N 3.26Å; K509-F511 PolarHBondContact O-N 3.06Å; K509-K538 HydrophobicContact CB-CB 4.16Å; K509-K538 HydrophobicContact CD-CD 4.47Å; K509-K538 PolarHBondContact N-O 2.96Å
510G67.1Low67Low72 Ų7262.6 Ų62.674%0.74237%0.372SS*.THydrogen-bonded Turntrans80.7-2.4175.400000115.1F508 K512F508-G510 PolarHBondContact O-N 3.08Å; G510-K512 PolarHBondContact O-N 3.32Å
511F59Low64.2Low93 Ų9365 Ų6541%0.40839%0.387SS..  trans-72.8116.1172.7-152.1-103.6000109.9F508 K509 I518F508-F511 PolarHBondContact O-N 2.92Å; K509-F511 VanDerWaalsContact C-N 3.26Å; K509-F511 PolarHBondContact O-N 3.06Å; F511-I518 HydrophobicContact CE1-CG1 4.33Å; F511-I518 HydrophobicContact CE2-CD1 4.31Å; F511-I518 HydrophobicContact CZ-CD1 4.24Å; F511-I518 HydrophobicContact CZ-CG1 4.33Å
512K42.3Very low61.6Low211 Ų21163.9 Ų63.992%0.91739%0.39SS*.  trans-98.514.5174.7-72.8-170.3178-177.60113.2G510G510-K512 PolarHBondContact O-N 3.32Å
513G41.3Very low59.1Low38 Ų3865.9 Ų65.939%0.39242%0.417SS..SBendtrans-63.7138.2153.300000106.5
514G35.7Very low56.2Low54 Ų5466.9 Ų66.956%0.55743%0.425SS*.  trans-53.3177.7-177.200000112.1E516G514-E516 CarbonylContact O-C 2.99Å; G514-E516 WeakPolarHBondContact O-CA 3.28Å; G514-E516 PolarHBondContact O-N 3.39Å
515N36.4Very low53.4Low102 Ų10272.9 Ų72.955%0.54546%0.457SS..SBendtrans-48.10.8175.4-80.8-4.8000117.1Y507 G517 S578Y507-N515 WeakPolarHBondContact CE1-O 3.4Å; Y507-N515 PolarHBondContact OH-O 3.41Å; N515-G517 PolarHBondContact O-N 3.21Å; N515-S578 VanDerWaalsContact O-CB 3.32Å; N515-S578 WeakPolarHBondContact O-CB 3.44Å
516E39.6Very low50.7Low169 Ų16980.3 Ų80.379%0.7949%0.491SS*.  trans-6798.1161.7-58.4-177-177.300109.9G514G514-E516 CarbonylContact O-C 2.99Å; G514-E516 WeakPolarHBondContact O-CA 3.28Å; G514-E516 PolarHBondContact O-N 3.39Å
517G45.2Very low47.8Very low16 Ų1688 Ų8817%0.16553%0.531CS..  trans-56.3157.5170.300000111.3Y507 N515 S519Y507-G517 VanDerWaalsContact CZ-CA 3.42Å; Y507-G517 PolarHBondContact OH-N 2.86Å; N515-G517 PolarHBondContact O-N 3.21Å; G517-S519 PolarHBondContact O-N 2.81Å
518I52.6Low45.5Very low34 Ų3491.4 Ų91.417%0.17455%0.547CS..EExtended strand (participates in β ladder)trans-6995.2174.6-61.3170.2000107.3V505 G506 F511 L520V505-I518 VanDerWaalsContact CA-O 3.31Å; V505-I518 WeakPolarHBondContact CA-O 3.41Å; G506-I518 PolarHBondContact N-O 2.75Å; G506-I518 VanDerWaalsContact N-O 3.11Å; G506-I518 PolarHBondContact O-N 3.09Å; F511-I518 HydrophobicContact CE1-CG1 4.33Å; F511-I518 HydrophobicContact CE2-CD1 4.31Å; F511-I518 HydrophobicContact CZ-CD1 4.24Å; F511-I518 HydrophobicContact CZ-CG1 4.33Å; I518-L520 HydrophobicContact CG2-CD1 3.89Å; I518-L520 HydrophobicContact CG2-CD2 4.29Å; I518-L520 HydrophobicContact CG2-CG 3.75Å
519S44.7Very low42.6Very low82 Ų82100.1 Ų100.157%0.57358%0.584SS**EExtended strand (participates in β ladder)trans-85.6115.5170-171.90000108.8G517G517-S519 PolarHBondContact O-N 2.81Å
520L46.8Very low39.9Very low34 Ų34101.5 Ų101.518%0.17860%0.604CS.*EExtended strand (participates in β ladder)trans-115.7109.6174.1-67170.3000108.4Y341 T504 I518 N525Y341-L520 HydrophobicContact CD1-CD1 3.47Å; Y341-L520 VanDerWaalsContact CD1-CD1 3.47Å; Y341-L520 HydrophobicContact CE1-CD1 3.7Å; T504-L520 PolarHBondContact O-N 3.25Å; I518-L520 HydrophobicContact CG2-CD1 3.89Å; I518-L520 HydrophobicContact CG2-CD2 4.29Å; I518-L520 HydrophobicContact CG2-CG 3.75Å; L520-N525 WeakPolarHBondContact CD2-O 3.36Å
521P32.6Very low38.4Very low101 Ų101101.6 Ų101.666%0.65661%0.606SS**  trans-61149.6162.5-15.829.6000109.6G523P521-G523 PolarHBondContact O-N 3.23Å
522G37.3Very low37.5Very low72 Ų72102 Ų10274%0.74262%0.62SS**SBendtrans-33.4128.5-170.300000115.6
523G39Very low37.8Very low67 Ų6798.2 Ų98.269%0.69162%0.617SS**SBendtrans41.492.1163.800000115.4P521P521-G523 PolarHBondContact O-N 3.23Å
524S32Very low38.7Very low93 Ų9397.5 Ų97.565%0.6561%0.608SS**  trans87.999.8175.377.60000116.3
525N32.7Very low40.4Very low135 Ų13598.8 Ų98.872%0.72260%0.602SS**  -175.4119.6124.2-93.3-33000111.1L520L520-N525 WeakPolarHBondContact CD2-O 3.36Å
526Q32.8Very low42.7Very low163 Ų16394.6 Ų94.676%0.76258%0.579SS**  trans-68.5133.3-176-66.4175.1-5.500112F528Q526-F528 HydrophobicContact CB-CD2 3.93Å; Q526-F528 HydrophobicContact CB-CE2 4.42Å; Q526-F528 HydrophobicContact CG-CD2 3.98Å; Q526-F528 HydrophobicContact CG-CE2 4.12Å
527L30.7Very low44.8Very low162 Ų16288.4 Ų88.485%0.84855%0.554SS**  trans-121.565.5156-105.5149.6000108.4
528F38.8Very low46.9Very low101 Ų10190.1 Ų90.144%0.44356%0.557SS.*PPolyproline II helixtrans-90.4119.9164.7-66.2-74.7000108.3Q526 P530 A534 F536Q526-F528 HydrophobicContact CB-CD2 3.93Å; Q526-F528 HydrophobicContact CB-CE2 4.42Å; Q526-F528 HydrophobicContact CG-CD2 3.98Å; Q526-F528 HydrophobicContact CG-CE2 4.12Å; F528-P530 WeakPolarHBondContact O-CD 3.4Å; F528-A534 HydrophobicContact CD1-CB 4.28Å; F528-A534 HydrophobicContact CE1-CB 3.82Å; F528-F536 HydrophobicContact CE1-CE2 4.41Å; F528-F536 HydrophobicContact CE1-CZ 4.06Å; F528-F536 HydrophobicContact CZ-CZ 4.24Å
529K26.4Very low48.8Very low195 Ų19588.5 Ų88.585%0.84855%0.548SS*.PPolyproline II helixtrans-66.4126.2159.4-89.3-175.7176.4176.30107.8G531K529-G531 PolarHBondContact O-N 3.26Å
530P25.9Very low51Low137 Ų13784.6 Ų84.689%0.8952%0.521SS*.THydrogen-bonded Turntrans-60.1126.9171.7-17.929.6000109.9F528F528-P530 WeakPolarHBondContact O-CD 3.4Å
531G34.6Very low53.3Low75 Ų7583 Ų8377%0.77351%0.513SS*.THydrogen-bonded Turntrans138.7-9.8166.200000117.5K529K529-G531 PolarHBondContact O-N 3.26Å
532S39.1Very low56.2Low101 Ų10178.1 Ų78.171%0.70648%0.481SS*.SBendtrans-145.5118.3170.3-54.40000108.8A534S532-A534 PolarHBondContact O-N 3.39Å; S532-A534 VanDerWaalsContact O-N 3.15Å
533P49.9Very low58.8Low132 Ų13274.7 Ų74.786%0.85745%0.446SS*.  trans-58.7124.617723-29.8000108.1D535P533-D535 PolarHBondContact O-N 2.95Å; P533-D535 VanDerWaalsContact O-N 3.15Å
534A58.8Low61.4Low23 Ų2372.2 Ų72.219%0.1942%0.417CS..  trans-56.2121.3179.600000109.5F528 S532 F536F528-A534 HydrophobicContact CD1-CB 4.28Å; F528-A534 HydrophobicContact CE1-CB 3.82Å; S532-A534 PolarHBondContact O-N 3.39Å; S532-A534 VanDerWaalsContact O-N 3.15Å; A534-F536 HydrophobicContact CB-CD2 4.26Å; A534-F536 HydrophobicContact CB-CE1 4.26Å; A534-F536 HydrophobicContact CB-CE2 3.67Å; A534-F536 HydrophobicContact CB-CZ 3.67Å; A534-F536 PolarHBondContact O-N 3.04Å
535D72.2Confident64.1Low81 Ų8172.4 Ų72.443%0.43340%0.403SS..  trans-82.992176.8-176.318.4000109.8P533 S537P533-D535 PolarHBondContact O-N 2.95Å; P533-D535 VanDerWaalsContact O-N 3.15Å; D535-S537 PolarHBondContact O-N 3.35Å; D535-S537 WeakPolarHBondContact OD1-CB 3.36Å; D535-S537 PolarHBondContact OD1-N 3.21Å; D535-S537 PolarHBondContact OD1-OG 2.79Å; D535-S537 PolarHBondContact OD2-OG 3.21Å
536F84.3Confident66.7Low14 Ų1472.5 Ų72.56%0.06140%0.404CS..THydrogen-bonded Turntrans-8125.1171.7-58.5-66.5000112.5Y341 L342 W345 F508 F528 A534 K538 W555Y341-F536 HydrophobicContact CD2-CD1 4.09Å; Y341-F536 AromaticContact CD2-CE1 3.48Å; Y341-F536 HydrophobicContact CD2-CE1 3.48Å; Y341-F536 VanDerWaalsContact CD2-CE1 3.48Å; Y341-F536 HydrophobicContact CD2-CE2 4.16Å; Y341-F536 AromaticContact CD2-CZ 3.51Å; Y341-F536 HydrophobicContact CD2-CZ 3.51Å; Y341-F536 HydrophobicContact CE2-CD1 4.05Å; Y341-F536 AromaticContact CE2-CE1 3.59Å; Y341-F536 HydrophobicContact CE2-CE1 3.59Å; Y341-F536 HydrophobicContact CE2-CZ 4.11Å; Y341-F536 HydrophobicContact CG-CZ 4.35Å; L342-F536 HydrophobicContact CD2-CB 4.05Å; L342-F536 HydrophobicContact CD2-CD1 4.06Å; L342-F536 HydrophobicContact CD2-CG 4.11Å; W345-F536 HydrophobicContact CB-CD2 4.21Å; W345-F536 AromaticContact CD1-CD2 3.55Å; W345-F536 HydrophobicContact CD2-CB 4Å; W345-F536 HydrophobicContact CG-CB 3.98Å; W345-F536 AromaticContact CG-CD2 3.94Å; W345-F536 HydrophobicContact CG-CD2 3.94Å; W345-F536 HydrophobicContact CG-CG 4.4Å; F508-F536 HydrophobicContact CB-CD1 4.49Å; F508-F536 HydrophobicContact CD1-CB 4.29Å; F508-F536 AromaticContact CD1-CD1 3.71Å; F508-F536 HydrophobicContact CD1-CD1 3.71Å; F508-F536 AromaticContact CD2-CD1 3.72Å; F508-F536 HydrophobicContact CD2-CD1 3.72Å; F508-F536 AromaticContact CD2-CE1 3.86Å; F508-F536 HydrophobicContact CD2-CE1 3.86Å; F508-F536 HydrophobicContact CE1-CB 4.38Å; F508-F536 AromaticContact CE1-CD1 3.78Å; F508-F536 HydrophobicContact CE1-CD1 3.78Å; F508-F536 AromaticContact CE2-CD1 3.78Å; F508-F536 HydrophobicContact CE2-CD1 3.78Å; F508-F536 AromaticContact CE2-CE1 3.89Å; F508-F536 HydrophobicContact CE2-CE1 3.89Å; F508-F536 AromaticContact CG-CD1 3.69Å; F508-F536 HydrophobicContact CG-CD1 3.69Å; F508-F536 HydrophobicContact CG-CE1 4.26Å; F508-F536 AromaticContact CZ-CD1 3.83Å; F508-F536 HydrophobicContact CZ-CD1 3.83Å; F508-F536 HydrophobicContact CZ-CE1 4.33Å; F528-F536 HydrophobicContact CE1-CE2 4.41Å; F528-F536 HydrophobicContact CE1-CZ 4.06Å; F528-F536 HydrophobicContact CZ-CZ 4.24Å; A534-F536 HydrophobicContact CB-CD2 4.26Å; A534-F536 HydrophobicContact CB-CE1 4.26Å; A534-F536 HydrophobicContact CB-CE2 3.67Å; A534-F536 HydrophobicContact CB-CZ 3.67Å; A534-F536 PolarHBondContact O-N 3.04Å; F536-K538 VanDerWaalsContact C-N 3.27Å; F536-K538 PolarHBondContact O-N 2.88Å; F536-W555 PolarHBondContact O-NE1 2.84Å
537S84.4Confident69.1Low38 Ų3871.7 Ų71.727%0.26640%0.4SS..THydrogen-bonded Turntrans-65.7-27.4179.763.90000113.7D535 N556D535-S537 PolarHBondContact O-N 3.35Å; D535-S537 WeakPolarHBondContact OD1-CB 3.36Å; D535-S537 PolarHBondContact OD1-N 3.21Å; D535-S537 PolarHBondContact OD1-OG 2.79Å; D535-S537 PolarHBondContact OD2-OG 3.21Å; S537-N556 WeakPolarHBondContact O-CB 3.26Å; S537-N556 PolarHBondContact O-ND2 2.81Å
538K89.7Confident71.9Confident52 Ų5266.3 Ų66.323%0.22637%0.372CS..SBendtrans-158.2131.9-176.3-170.8177.5172.7-152.60110.5F508 K509 F536 W555 N556 L557 E585 L586F508-K538 WeakPolarHBondContact CA-O 3.44Å; K509-K538 HydrophobicContact CB-CB 4.16Å; K509-K538 HydrophobicContact CD-CD 4.47Å; K509-K538 PolarHBondContact N-O 2.96Å; F536-K538 VanDerWaalsContact C-N 3.27Å; F536-K538 PolarHBondContact O-N 2.88Å; K538-W555 WeakPolarHBondContact CA-O 3.44Å; K538-N556 HydrophobicContact CB-CB 4.42Å; K538-N556 HydrophobicContact CG-CB 4.32Å; K538-L557 HydrophobicContact CD-CD2 4.32Å; K538-L557 HydrophobicContact CG-CD1 4.37Å; K538-L557 HydrophobicContact CG-CD2 4.23Å; K538-L557 HydrophobicContact CG-CG 3.9Å; K538-E585 VanDerWaalsContact CE-O 3.29Å; K538-E585 WeakPolarHBondContact CE-O 3.34Å; K538-E585 PolarHBondContact NZ-O 3.32Å; K538-L586 WeakPolarHBondContact CD-OXT 3.46Å; K538-L586 WeakPolarHBondContact CE-OXT 3.36Å; K538-L586 PolarHBondContact NZ-OXT 3.15Å
539G91.1Very high74.4Confident0 Ų062.2 Ų62.20%036%0.355CS..EExtended strand (participates in β ladder)trans-174.1171-173.100000115.8Y507 W555 L557Y507-G539 CarbonylContact O-C 3.52Å; Y507-G539 WeakPolarHBondContact O-CA 3.31Å; G539-W555 PolarHBondContact N-O 3.49Å; G539-W555 WeakPolarHBondContact O-CA 3.34Å; G539-W555 WeakPolarHBondContact O-CB 3.26Å; G539-W555 PolarHBondContact O-N 3.38Å; G539-L557 WeakPolarHBondContact O-CD1 3.41Å
540V92.6Very high77.5Confident0 Ų054.6 Ų54.60%032%0.324CS..EExtended strand (participates in β ladder)trans-124.3134.8171.5-176.80000108.3G506 Y507 F542 V552 L553 L554 L557 F584 L586G506-V540 WeakPolarHBondContact CA-O 3.42Å; Y507-V540 PolarHBondContact N-O 2.94Å; Y507-V540 PolarHBondContact O-N 2.95Å; V540-F542 HydrophobicContact CG1-CD1 4.31Å; V540-F542 HydrophobicContact CG1-CE1 3.79Å; V540-F542 HydrophobicContact CG1-CE2 4.21Å; V540-F542 HydrophobicContact CG1-CZ 3.74Å; V540-V552 HydrophobicContact CG1-CG1 3.63Å; V540-L553 WeakPolarHBondContact CA-O 3.41Å; V540-L554 HydrophobicContact CG1-CD2 4.31Å; V540-L554 HydrophobicContact CG2-CD2 4.21Å; V540-L557 HydrophobicContact CG2-CD1 3.38Å; V540-F584 HydrophobicContact CG1-CD2 4.34Å; V540-F584 HydrophobicContact CG1-CE2 4.2Å; V540-F584 HydrophobicContact CG1-CZ 4.32Å; V540-F584 HydrophobicContact CG2-CB 3.75Å; V540-F584 HydrophobicContact CG2-CD1 3.88Å; V540-F584 HydrophobicContact CG2-CD2 4.06Å; V540-F584 HydrophobicContact CG2-CG 3.62Å; V540-L586 HydrophobicContact CG2-CD2 4.43Å
541V93.3Very high80.7Confident0 Ų048.1 Ų48.10%028%0.282CS..EExtended strand (participates in β ladder)trans-118.9124.5171.5-174.50000109.2P339 L342 T504 V505 F508 Y543 V552 L553P339-V541 HydrophobicContact CG-CG1 4.16Å; L342-V541 HydrophobicContact CD1-CG2 3.88Å; T504-V541 HydrophobicContact CG2-CG1 4.1Å; V505-V541 WeakPolarHBondContact O-CA 3.48Å; F508-V541 HydrophobicContact CE2-CG2 4.3Å; F508-V541 HydrophobicContact CZ-CG2 3.74Å; V541-Y543 HydrophobicContact CB-CE2 4.28Å; V541-Y543 HydrophobicContact CG1-CE2 4Å; V541-V552 WeakPolarHBondContact O-CA 3.49Å; V541-L553 HydrophobicContact CB-CB 4.17Å; V541-L553 HydrophobicContact CB-CD2 4.41Å; V541-L553 HydrophobicContact CG2-CD2 4.33Å; V541-L553 PolarHBondContact N-O 2.95Å; V541-L553 PolarHBondContact O-N 3.06Å
542F93.6Very high83.6Confident0 Ų044.5 Ų44.50%025%0.245CC..EExtended strand (participates in β ladder)trans-93134.7174.3-58.7-68.3000110T504 V505 Y507 V540 L544 I549 V552 L577 T580 V581 F584T504-F542 CarbonylContact C-O 3.56Å; T504-F542 VanDerWaalsContact CA-O 3.23Å; T504-F542 WeakPolarHBondContact CA-O 3.47Å; V505-F542 PolarHBondContact N-O 3.25Å; V505-F542 PolarHBondContact O-N 3.41Å; Y507-F542 HydrophobicContact CD2-CD2 4.01Å; Y507-F542 AromaticContact CD2-CE2 3.73Å; Y507-F542 HydrophobicContact CD2-CE2 3.73Å; Y507-F542 AromaticContact CE2-CD2 3.95Å; Y507-F542 HydrophobicContact CE2-CD2 3.95Å; Y507-F542 AromaticContact CE2-CE2 3.81Å; Y507-F542 HydrophobicContact CE2-CE2 3.81Å; V540-F542 HydrophobicContact CG1-CD1 4.31Å; V540-F542 HydrophobicContact CG1-CE1 3.79Å; V540-F542 HydrophobicContact CG1-CE2 4.21Å; V540-F542 HydrophobicContact CG1-CZ 3.74Å; F542-L544 HydrophobicContact CB-CD2 4.36Å; F542-I549 HydrophobicContact CD1-CD1 3.93Å; F542-I549 HydrophobicContact CD1-CG2 4.06Å; F542-I549 HydrophobicContact CE1-CD1 4.28Å; F542-I549 HydrophobicContact CG-CD1 4.43Å; F542-V552 HydrophobicContact CD1-CG1 4.34Å; F542-V552 HydrophobicContact CD1-CG2 4.04Å; F542-V552 HydrophobicContact CE1-CG1 4.27Å; F542-V552 HydrophobicContact CE1-CG2 4.3Å; F542-L577 HydrophobicContact CB-CD2 4.32Å; F542-L577 HydrophobicContact CD2-CD2 4.08Å; F542-L577 HydrophobicContact CG-CD2 4.17Å; F542-T580 HydrophobicContact CE1-CG2 4.13Å; F542-T580 HydrophobicContact CZ-CG2 4.03Å; F542-V581 HydrophobicContact CE2-CB 4.23Å; F542-V581 HydrophobicContact CZ-CB 4.48Å; F542-F584 AromaticContact CE1-CE2 3.83Å; F542-F584 HydrophobicContact CE1-CE2 3.83Å; F542-F584 HydrophobicContact CE1-CZ 4.33Å; F542-F584 HydrophobicContact CZ-CD2 4.28Å; F542-F584 AromaticContact CZ-CE2 3.78Å; F542-F584 HydrophobicContact CZ-CE2 3.78Å
543Y93.5Very high86.3Confident0 Ų039.8 Ų39.80%021%0.212CC..EExtended strand (participates in β ladder)trans-104.6129.7174-66.7-103.3000108.2F337 P339 E497 V498 S499 L502 T504 V541 V550 G551 L553F337-Y543 PolarHBondContact O-OH 3.17Å; P339-Y543 WeakPolarHBondContact CD-OH 2.98Å; E497-Y543 WeakPolarHBondContact O-CB 3.48Å; V498-Y543 HydrophobicContact CB-CE2 4.4Å; V498-Y543 HydrophobicContact CG1-CD2 4.44Å; V498-Y543 HydrophobicContact CG1-CE1 4.03Å; V498-Y543 HydrophobicContact CG1-CE2 3.86Å; V498-Y543 HydrophobicContact CG2-CD2 4Å; V498-Y543 HydrophobicContact CG2-CE2 4.07Å; S499-Y543 WeakPolarHBondContact O-CD1 3.4Å; S499-Y543 VanDerWaalsContact O-CE1 3.25Å; S499-Y543 WeakPolarHBondContact O-CE1 3.18Å; L502-Y543 HydrophobicContact CB-CD1 4.2Å; L502-Y543 HydrophobicContact CD1-CD1 4.31Å; T504-Y543 HydrophobicContact CG2-CD1 3.48Å; T504-Y543 VanDerWaalsContact CG2-CD1 3.48Å; T504-Y543 HydrophobicContact CG2-CE1 3.43Å; T504-Y543 VanDerWaalsContact CG2-CE1 3.43Å; T504-Y543 HydrophobicContact CG2-CE2 4.43Å; T504-Y543 HydrophobicContact CG2-CG 4.03Å; V541-Y543 HydrophobicContact CB-CE2 4.28Å; V541-Y543 HydrophobicContact CG1-CE2 4Å; Y543-V550 WeakPolarHBondContact O-CG2 3.46Å; Y543-V550 PolarHBondContact O-N 3.1Å; Y543-G551 PolarHBondContact N-O 3.31Å; Y543-G551 PolarHBondContact O-N 3.36Å; Y543-L553 HydrophobicContact CE2-CB 3.68Å
544L92.3Very high88.5Confident15 Ų1533.5 Ų33.58%0.07917%0.171CC..EExtended strand (participates in β ladder)trans-115.3143.2-169.8-52.5177.4000111.7P503 V505 F542 N548 I549 L577P503-L544 HydrophobicContact CB-CB 4.4Å; P503-L544 WeakPolarHBondContact CD-O 3.36Å; P503-L544 PolarHBondContact O-N 3.42Å; V505-L544 HydrophobicContact CG2-CD1 3.95Å; F542-L544 HydrophobicContact CB-CD2 4.36Å; L544-N548 CarbonylContact C-O 3.57Å; L544-N548 VanDerWaalsContact CA-O 3.25Å; L544-N548 WeakPolarHBondContact CA-O 3.35Å; L544-I549 HydrophobicContact CD2-CG1 3.98Å; L544-L577 HydrophobicContact CD1-CD1 4.13Å; L544-L577 HydrophobicContact CD2-CD1 4.42Å; L544-L577 HydrophobicContact CD2-CD2 4.27Å
545R89.1Confident90.2Very high97 Ų9732.4 Ų32.437%0.36616%0.162SC..EExtended strand (participates in β ladder)trans-134.6124.9163.4-175.1-174.3-66.9174.8-2.2108E497 Q547 N548 V550E497-R545 IonicContact OE1-CZ 2.63Å; E497-R545 IonicContact OE1-NH2 3.97Å; E497-R545 PolarHBondContact OE1-NH2 3.22Å; E497-R545 IonicContact OE2-CZ 3.27Å; E497-R545 IonicContact OE2-NH1 3.74Å; E497-R545 IonicContact OE2-NH2 2.62Å; E497-R545 PolarHBondContact OE2-NH2 3.29Å; R545-Q547 PolarHBondContact O-N 2.88Å; R545-N548 PolarHBondContact N-O 3.38Å; R545-N548 WeakPolarHBondContact O-CB 3.12Å; R545-N548 PolarHBondContact O-N 2.8Å; R545-N548 PolarHBondContact O-ND2 2.76Å; R545-V550 HydrophobicContact CB-CG1 3.7Å; R545-V550 HydrophobicContact CB-CG2 4.09Å
546D87.4Confident91.2Very high137 Ų13730.3 Ų30.373%0.73315%0.151SC*.THydrogen-bonded Turntrans49.943.9-178.1-50.8-43.4000112.5N548D546-N548 PolarHBondContact O-N 3.04Å; D546-N548 PolarHBondContact O-ND2 3.27Å; D546-N548 VanDerWaalsContact O-ND2 3.14Å
547Q83.2Confident91.5Very high146 Ų14630.3 Ų30.368%0.68215%0.151SC*.THydrogen-bonded Turntrans66.91.5-175.8-52-66.480.600116.4R545R545-Q547 PolarHBondContact O-N 2.88Å
548N89.6Confident91.4Very high48 Ų4831.5 Ų31.526%0.25716%0.158SC..EExtended strand (participates in β ladder)trans-95.4143.3176.6-53.5-64.3000110.8L544 R545 D546 V550 T573L544-N548 CarbonylContact C-O 3.57Å; L544-N548 VanDerWaalsContact CA-O 3.25Å; L544-N548 WeakPolarHBondContact CA-O 3.35Å; R545-N548 PolarHBondContact N-O 3.38Å; R545-N548 WeakPolarHBondContact O-CB 3.12Å; R545-N548 PolarHBondContact O-N 2.8Å; R545-N548 PolarHBondContact O-ND2 2.76Å; D546-N548 PolarHBondContact O-N 3.04Å; D546-N548 PolarHBondContact O-ND2 3.27Å; D546-N548 VanDerWaalsContact O-ND2 3.14Å; N548-V550 PolarHBondContact O-N 3.16Å; N548-T573 VanDerWaalsContact OD1-C 3.24Å; N548-T573 WeakPolarHBondContact OD1-CB 3.21Å; N548-T573 PolarHBondContact OD1-O 3.41Å
549I91.4Very high91.3Very high16 Ų1632.1 Ų32.18%0.08218%0.179CC..EExtended strand (participates in β ladder)trans-72.4117173.6-54175.1000108.3F542 L544 V552 L568 H575 L577 T580F542-I549 HydrophobicContact CD1-CD1 3.93Å; F542-I549 HydrophobicContact CD1-CG2 4.06Å; F542-I549 HydrophobicContact CE1-CD1 4.28Å; F542-I549 HydrophobicContact CG-CD1 4.43Å; L544-I549 HydrophobicContact CD2-CG1 3.98Å; I549-V552 HydrophobicContact CG2-CG2 3.92Å; I549-L568 HydrophobicContact CG2-CD2 3.89Å; I549-L568 WeakPolarHBondContact O-CD2 3.44Å; I549-H575 HydrophobicContact CD1-CB 3.75Å; I549-H575 HydrophobicContact CG1-CB 4.34Å; I549-L577 HydrophobicContact CD1-CD2 3.7Å; I549-L577 HydrophobicContact CG1-CD2 3.84Å; I549-T580 HydrophobicContact CD1-CG2 4.08Å
550V91.1Very high91.4Very high35 Ų3532.4 Ų32.421%0.21218%0.182CC..EExtended strand (participates in β ladder)trans-108.9-17.5176.9-65.20000113E497 L502 Y543 R545 N548 L568E497-V550 HydrophobicContact CB-CB 4.21Å; E497-V550 HydrophobicContact CB-CG2 4.14Å; E497-V550 PolarHBondContact N-O 2.89Å; L502-V550 HydrophobicContact CD1-CG2 3.84Å; Y543-V550 WeakPolarHBondContact O-CG2 3.46Å; Y543-V550 PolarHBondContact O-N 3.1Å; R545-V550 HydrophobicContact CB-CG1 3.7Å; R545-V550 HydrophobicContact CB-CG2 4.09Å; N548-V550 PolarHBondContact O-N 3.16Å; V550-L568 WeakPolarHBondContact O-CD2 3.16Å
551G94.1Very high91.4Very high0 Ų033 Ų330%019%0.186CC..EExtended strand (participates in β ladder)trans-154157.2174.300000112.9V495 E497 Y543V495-G551 CarbonylContact O-C 3.48Å; V495-G551 VanDerWaalsContact O-CA 3.26Å; V495-G551 WeakPolarHBondContact O-CA 3.19Å; E497-G551 WeakPolarHBondContact O-CA 3.47Å; Y543-G551 PolarHBondContact N-O 3.31Å; Y543-G551 PolarHBondContact O-N 3.36Å
552V95.5Very high91.3Very high0 Ų036.5 Ų36.50%021%0.208CC..EExtended strand (participates in β ladder)trans-134.1126178.7-173.80000108.8A494 V495 V540 V541 F542 I549 L554 A564 L568 F584A494-V552 WeakPolarHBondContact CA-O 3.5Å; V495-V552 PolarHBondContact N-O 2.98Å; V495-V552 PolarHBondContact O-N 2.92Å; V540-V552 HydrophobicContact CG1-CG1 3.63Å; V541-V552 WeakPolarHBondContact O-CA 3.49Å; F542-V552 HydrophobicContact CD1-CG1 4.34Å; F542-V552 HydrophobicContact CD1-CG2 4.04Å; F542-V552 HydrophobicContact CE1-CG1 4.27Å; F542-V552 HydrophobicContact CE1-CG2 4.3Å; I549-V552 HydrophobicContact CG2-CG2 3.92Å; V552-L554 HydrophobicContact CG1-CD2 3.8Å; V552-L554 HydrophobicContact CG1-CG 4.29Å; V552-A564 HydrophobicContact CB-CB 3.87Å; V552-A564 HydrophobicContact CG1-CB 3.98Å; V552-A564 HydrophobicContact CG2-CB 4.12Å; V552-L568 HydrophobicContact CG2-CD1 4.17Å; V552-L568 HydrophobicContact CG2-CG 4.35Å; V552-F584 HydrophobicContact CG1-CZ 4.17Å
553L95.9Very high91.3Very high1 Ų138.7 Ų38.71%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-103.9115169.8177.377.4000109.1L338 L342 F492 A494 V540 V541 Y543 W555L338-L553 HydrophobicContact CD2-CD1 4.26Å; L338-L553 HydrophobicContact CD2-CD2 3.45Å; L338-L553 VanDerWaalsContact CD2-CD2 3.45Å; L342-L553 HydrophobicContact CD1-CD2 3.77Å; F492-L553 HydrophobicContact CB-CD1 3.98Å; F492-L553 HydrophobicContact CD2-CD1 3.49Å; F492-L553 VanDerWaalsContact CD2-CD1 3.49Å; F492-L553 HydrophobicContact CE2-CD1 4.25Å; F492-L553 HydrophobicContact CG-CD1 3.97Å; A494-L553 HydrophobicContact CB-CD1 4.12Å; V540-L553 WeakPolarHBondContact CA-O 3.41Å; V541-L553 HydrophobicContact CB-CB 4.17Å; V541-L553 HydrophobicContact CB-CD2 4.41Å; V541-L553 HydrophobicContact CG2-CD2 4.33Å; V541-L553 PolarHBondContact N-O 2.95Å; V541-L553 PolarHBondContact O-N 3.06Å; Y543-L553 HydrophobicContact CE2-CB 3.68Å; L553-W555 HydrophobicContact CD2-CE3 4.08Å; L553-W555 HydrophobicContact CD2-CZ3 4.44Å; L553-W555 HydrophobicContact CG-CE3 4.46Å
554L95.7Very high91.3Very high1 Ų138.7 Ų38.71%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-93.1109.7177.2-56.9172.2000108.8F492 V493 V540 V552 L557 V561 A564 F584F492-L554 CarbonylContact C-O 3.52Å; F492-L554 WeakPolarHBondContact CA-O 3.4Å; F492-L554 WeakPolarHBondContact CB-O 3.35Å; V493-L554 HydrophobicContact CB-CB 4.43Å; V493-L554 HydrophobicContact CB-CD1 4.48Å; V493-L554 PolarHBondContact N-O 2.81Å; V493-L554 WeakPolarHBondContact O-CB 3.31Å; V493-L554 PolarHBondContact O-N 2.82Å; V540-L554 HydrophobicContact CG1-CD2 4.31Å; V540-L554 HydrophobicContact CG2-CD2 4.21Å; V552-L554 HydrophobicContact CG1-CD2 3.8Å; V552-L554 HydrophobicContact CG1-CG 4.29Å; L554-L557 HydrophobicContact CB-CB 4.09Å; L554-V561 HydrophobicContact CD1-CB 4.3Å; L554-V561 HydrophobicContact CD1-CG2 3.64Å; L554-V561 VanDerWaalsContact CD1-N 3.34Å; L554-A564 HydrophobicContact CD1-CB 4.27Å; L554-F584 HydrophobicContact CD2-CD1 3.74Å; L554-F584 HydrophobicContact CD2-CE1 3.41Å; L554-F584 VanDerWaalsContact CD2-CE1 3.41Å; L554-F584 HydrophobicContact CD2-CZ 4.28Å
555W93.7Very high91.2Very high0 Ų041.2 Ų41.20%023%0.23CC..EExtended strand (participates in β ladder)trans-100.5109.1-176.8-162.2-101.9000109.8L338 L342 W345 S346 L490 F492 F508 F536 K538 G539 L553 L557L338-W555 HydrophobicContact CD1-CH2 3.85Å; L338-W555 HydrophobicContact CD1-CZ3 3.96Å; L338-W555 HydrophobicContact CD2-CH2 4.5Å; L338-W555 HydrophobicContact CD2-CZ3 3.8Å; L342-W555 HydrophobicContact CB-CH2 4.49Å; L342-W555 HydrophobicContact CD1-CD2 4.25Å; L342-W555 HydrophobicContact CD1-CE3 4.07Å; L342-W555 HydrophobicContact CD1-CZ3 4.27Å; L342-W555 HydrophobicContact CD2-CD2 4.48Å; L342-W555 HydrophobicContact CD2-CZ2 4.15Å; W345-W555 AromaticContact CE3-CZ2 3.91Å; W345-W555 HydrophobicContact CE3-CZ2 3.91Å; W345-W555 HydrophobicContact CZ3-CZ2 4.04Å; S346-W555 WeakPolarHBondContact OG-CH2 3.48Å; L490-W555 HydrophobicContact CD1-CD2 3.7Å; L490-W555 HydrophobicContact CD1-CE3 4.17Å; L490-W555 HydrophobicContact CD1-CG 4.38Å; L490-W555 HydrophobicContact CD1-CH2 3.65Å; L490-W555 HydrophobicContact CD1-CZ2 3.15Å; L490-W555 HydrophobicContact CD1-CZ3 4.12Å; L490-W555 HydrophobicContact CD2-CH2 3.6Å; L490-W555 HydrophobicContact CD2-CZ2 3.46Å; L490-W555 VanDerWaalsContact CD2-CZ2 3.46Å; L490-W555 HydrophobicContact CG-CH2 4.16Å; L490-W555 HydrophobicContact CG-CZ2 3.92Å; F492-W555 HydrophobicContact CB-CD2 4.43Å; F492-W555 HydrophobicContact CB-CE3 3.52Å; F492-W555 HydrophobicContact CB-CZ3 3.9Å; F492-W555 HydrophobicContact CD1-CE3 4.09Å; F492-W555 HydrophobicContact CD1-CH2 4.3Å; F492-W555 AromaticContact CD1-CZ3 3.53Å; F492-W555 HydrophobicContact CD1-CZ3 3.53Å; F492-W555 HydrophobicContact CE1-CZ3 4.29Å; F492-W555 HydrophobicContact CG-CE3 4.04Å; F492-W555 AromaticContact CG-CZ3 3.89Å; F492-W555 HydrophobicContact CG-CZ3 3.89Å; F508-W555 HydrophobicContact CE1-CB 4.5Å; F508-W555 HydrophobicContact CE1-CG 4.43Å; F536-W555 PolarHBondContact O-NE1 2.84Å; K538-W555 WeakPolarHBondContact CA-O 3.44Å; G539-W555 PolarHBondContact N-O 3.49Å; G539-W555 WeakPolarHBondContact O-CA 3.34Å; G539-W555 WeakPolarHBondContact O-CB 3.26Å; G539-W555 PolarHBondContact O-N 3.38Å; L553-W555 HydrophobicContact CD2-CE3 4.08Å; L553-W555 HydrophobicContact CD2-CZ3 4.44Å; L553-W555 HydrophobicContact CG-CE3 4.46Å; W555-L557 PolarHBondContact O-N 3.4Å
556N93.1Very high91.3Very high36 Ų3638.6 Ų38.619%0.19323%0.234CC..SBendtrans52.936.2-171.2-77.7-29.9000113.7S489 K491 S537 K538S489-N556 PolarHBondContact O-ND2 2.91Å; S489-N556 PolarHBondContact O-OD1 3.09Å; K491-N556 PolarHBondContact N-OD1 3.11Å; K491-N556 WeakPolarHBondContact O-CA 3.38Å; K491-N556 PolarHBondContact O-N 3.36Å; K491-N556 PolarHBondContact O-OD1 3.29Å; S537-N556 WeakPolarHBondContact O-CB 3.26Å; S537-N556 PolarHBondContact O-ND2 2.81Å; K538-N556 HydrophobicContact CB-CB 4.42Å; K538-N556 HydrophobicContact CG-CB 4.32Å
557L91.4Very high91.4Very high14 Ų1433.1 Ų33.17%0.07320%0.204CC..  trans-132.361.3-176.2-83.4170.1000112.4K538 G539 V540 L554 W555 G559 G560 E585 L586K538-L557 HydrophobicContact CD-CD2 4.32Å; K538-L557 HydrophobicContact CG-CD1 4.37Å; K538-L557 HydrophobicContact CG-CD2 4.23Å; K538-L557 HydrophobicContact CG-CG 3.9Å; G539-L557 WeakPolarHBondContact O-CD1 3.41Å; V540-L557 HydrophobicContact CG2-CD1 3.38Å; L554-L557 HydrophobicContact CB-CB 4.09Å; W555-L557 PolarHBondContact O-N 3.4Å; L557-G559 VanDerWaalsContact C-N 3.26Å; L557-G559 PolarHBondContact O-N 3.47Å; L557-G560 PolarHBondContact O-N 3.21Å; L557-E585 VanDerWaalsContact CD2-O 3.28Å; L557-E585 WeakPolarHBondContact CD2-O 3.48Å; L557-L586 HydrophobicContact CD1-CD2 3.53Å; L557-L586 HydrophobicContact CD1-CG 4.45Å
558P83.2Confident91.8Very high64 Ų6426.7 Ų26.742%0.41617%0.174SC..G310 helixtrans-61.4-32.6-176.125.6-34.4000113.2G560 V561P558-G560 PolarHBondContact O-N 2.88Å; P558-V561 WeakPolarHBondContact O-CG2 3.42Å; P558-V561 PolarHBondContact O-N 2.95Å
559G87.6Confident91.6Very high64 Ų6428.9 Ų28.966%0.6619%0.19SC*.G310 helixtrans-65.7-13.9177.100000114.6L557 V561 P562L557-G559 VanDerWaalsContact C-N 3.26Å; L557-G559 PolarHBondContact O-N 3.47Å; G559-V561 VanDerWaalsContact C-N 3.3Å; G559-V561 PolarHBondContact O-N 3.16Å; G559-P562 WeakPolarHBondContact O-CD 3.32Å
560G92.3Very high91.1Very high6 Ų630 Ų306%0.06220%0.204CC..G310 helixtrans-77.7-8.3-179.600000114.7L557 P558 V563 A564L557-G560 PolarHBondContact O-N 3.21Å; P558-G560 PolarHBondContact O-N 2.88Å; G560-V563 WeakPolarHBondContact O-CB 3.3Å; G560-V563 PolarHBondContact O-N 2.9Å; G560-A564 WeakPolarHBondContact O-CB 3.29Å; G560-A564 PolarHBondContact O-N 2.82Å
561V92.7Very high90.1Very high13 Ų1337.8 Ų37.88%0.07924%0.239CC..Hα-helixtrans-60.2-47-173.8172.70000113.1V493 L554 P558 G559 V563 A564 R565V493-V561 HydrophobicContact CB-CG2 4.13Å; V493-V561 HydrophobicContact CG1-CG2 3.73Å; V493-V561 HydrophobicContact CG2-CG2 4.38Å; L554-V561 HydrophobicContact CD1-CB 4.3Å; L554-V561 HydrophobicContact CD1-CG2 3.64Å; L554-V561 VanDerWaalsContact CD1-N 3.34Å; P558-V561 WeakPolarHBondContact O-CG2 3.42Å; P558-V561 PolarHBondContact O-N 2.95Å; G559-V561 VanDerWaalsContact C-N 3.3Å; G559-V561 PolarHBondContact O-N 3.16Å; V561-V563 VanDerWaalsContact C-N 3.29Å; V561-V563 PolarHBondContact O-N 2.92Å; V561-A564 PolarHBondContact O-N 2.87Å; V561-R565 WeakPolarHBondContact O-CB 3.46Å; V561-R565 PolarHBondContact O-N 3.02Å
562P91.8Very high89.1Confident73 Ų7344.4 Ų44.447%0.47427%0.268SS..Hα-helixtrans-61.2-38.5176.4-23.335.5000112.6G559 R565 G566G559-P562 WeakPolarHBondContact O-CD 3.32Å; P562-R565 PolarHBondContact O-N 2.73Å; P562-G566 PolarHBondContact O-N 2.69Å
563V92.9Very high87.7Confident46 Ų4648.8 Ų48.828%0.27929%0.294SS..Hα-helixtrans-64.7-51177.7-178.70000110.4G560 V561 R565 G566 L567 L583 F584G560-V563 WeakPolarHBondContact O-CB 3.3Å; G560-V563 PolarHBondContact O-N 2.9Å; V561-V563 VanDerWaalsContact C-N 3.29Å; V561-V563 PolarHBondContact O-N 2.92Å; V563-R565 VanDerWaalsContact C-N 3.3Å; V563-R565 PolarHBondContact O-N 3.3Å; V563-G566 PolarHBondContact O-N 3Å; V563-L567 HydrophobicContact CG1-CD1 4.17Å; V563-L567 WeakPolarHBondContact O-CG 3.45Å; V563-L567 PolarHBondContact O-N 2.88Å; V563-L583 HydrophobicContact CG1-CB 3.64Å; V563-L583 HydrophobicContact CG1-CD1 4.3Å; V563-F584 HydrophobicContact CB-CD1 4.42Å; V563-F584 HydrophobicContact CB-CE1 3.9Å; V563-F584 HydrophobicContact CB-CZ 4.23Å; V563-F584 HydrophobicContact CG1-CD1 4.33Å; V563-F584 HydrophobicContact CG1-CE1 3.83Å; V563-F584 HydrophobicContact CG1-CE2 4.06Å; V563-F584 HydrophobicContact CG1-CZ 3.71Å
564A93.8Very high86.5Confident0 Ų055.5 Ų55.50%033%0.326CS..Hα-helixtrans-57.5-42.5177.300000112.1V495 V552 L554 G560 V561 L567 L568 F584V495-A564 HydrophobicContact CB-CB 4.19Å; V495-A564 HydrophobicContact CG2-CB 4.07Å; V552-A564 HydrophobicContact CB-CB 3.87Å; V552-A564 HydrophobicContact CG1-CB 3.98Å; V552-A564 HydrophobicContact CG2-CB 4.12Å; L554-A564 HydrophobicContact CD1-CB 4.27Å; G560-A564 WeakPolarHBondContact O-CB 3.29Å; G560-A564 PolarHBondContact O-N 2.82Å; V561-A564 PolarHBondContact O-N 2.87Å; A564-L567 PolarHBondContact O-N 2.95Å; A564-L568 VanDerWaalsContact O-CG 3.28Å; A564-L568 WeakPolarHBondContact O-CG 3.36Å; A564-L568 PolarHBondContact O-N 2.91Å; A564-L568 VanDerWaalsContact O-N 3.14Å; A564-F584 HydrophobicContact CB-CE1 4.38Å; A564-F584 HydrophobicContact CB-CZ 4.43Å
565R90.8Very high85.6Confident69 Ų6957.1 Ų57.126%0.2633%0.333SS..Hα-helixtrans-63-49.9176.4-171.9177.6-61.9125.84.8111.4V561 P562 V563 L567 L568 T569V561-R565 WeakPolarHBondContact O-CB 3.46Å; V561-R565 PolarHBondContact O-N 3.02Å; P562-R565 PolarHBondContact O-N 2.73Å; V563-R565 VanDerWaalsContact C-N 3.3Å; V563-R565 PolarHBondContact O-N 3.3Å; R565-L567 VanDerWaalsContact C-N 3.26Å; R565-L567 PolarHBondContact O-N 3.12Å; R565-L568 PolarHBondContact O-N 2.81Å; R565-L568 VanDerWaalsContact O-N 3.11Å; R565-T569 HydrophobicContact CG-CG2 4.31Å; R565-T569 PolarHBondContact O-N 3.39Å; R565-T569 PolarHBondContact O-OG1 2.91Å
566G90.3Very high85.2Confident42 Ų4261.2 Ų61.243%0.43336%0.355SS..Hα-helixtrans-58.4-37.4178.700000113P562 V563 G570P562-G566 PolarHBondContact O-N 2.69Å; V563-G566 PolarHBondContact O-N 3Å; G566-G570 WeakPolarHBondContact O-CA 3.4Å; G566-G570 PolarHBondContact O-N 2.85Å
567L90.2Very high84.8Confident21 Ų2161 Ų6111%0.1135%0.353CS..Hα-helixtrans-63.7-44.1174.2-71.3170.4000112.3V563 A564 R565 T580 L583 F584V563-L567 HydrophobicContact CG1-CD1 4.17Å; V563-L567 WeakPolarHBondContact O-CG 3.45Å; V563-L567 PolarHBondContact O-N 2.88Å; A564-L567 PolarHBondContact O-N 2.95Å; R565-L567 VanDerWaalsContact C-N 3.26Å; R565-L567 PolarHBondContact O-N 3.12Å; L567-T580 HydrophobicContact CD1-CG2 3.53Å; L567-T580 HydrophobicContact CD2-CG2 3.73Å; L567-T580 HydrophobicContact CG-CG2 4.3Å; L567-L583 HydrophobicContact CD2-CD1 4.07Å; L567-F584 HydrophobicContact CD1-CE2 3.82Å; L567-F584 HydrophobicContact CD1-CZ 3.77Å
568L89.9Confident84.2Confident12 Ų1261.2 Ų61.26%0.06336%0.357CS..Hα-helixtrans-79.8-23-174.6-67.1170.9000114K446 L479 V495 I549 V550 V552 A564 R565K446-L568 PolarHBondContact NZ-O 2.88Å; L479-L568 HydrophobicContact CD2-CB 3.59Å; L479-L568 HydrophobicContact CD2-CD1 3.65Å; L479-L568 HydrophobicContact CD2-CG 4.27Å; V495-L568 HydrophobicContact CB-CD1 4.18Å; V495-L568 HydrophobicContact CG1-CD1 3.86Å; V495-L568 WeakPolarHBondContact O-CD1 3.27Å; I549-L568 HydrophobicContact CG2-CD2 3.89Å; I549-L568 WeakPolarHBondContact O-CD2 3.44Å; V550-L568 WeakPolarHBondContact O-CD2 3.16Å; V552-L568 HydrophobicContact CG2-CD1 4.17Å; V552-L568 HydrophobicContact CG2-CG 4.35Å; A564-L568 VanDerWaalsContact O-CG 3.28Å; A564-L568 WeakPolarHBondContact O-CG 3.36Å; A564-L568 PolarHBondContact O-N 2.91Å; A564-L568 VanDerWaalsContact O-N 3.14Å; R565-L568 PolarHBondContact O-N 2.81Å; R565-L568 VanDerWaalsContact O-N 3.11Å
569T86Confident84.3Confident94 Ų9462.9 Ų62.958%0.57736%0.359SS*.Hα-helixtrans-99.7-8.9176.9620000113.5R565R565-T569 HydrophobicContact CG-CG2 4.31Å; R565-T569 PolarHBondContact O-N 3.39Å; R565-T569 PolarHBondContact O-OG1 2.91Å
570G80.9Confident84.2Confident38 Ų3860.2 Ų60.239%0.39233%0.33SS..SBendtrans-68.1160.9-179.700000113.1G566 K572G566-G570 WeakPolarHBondContact O-CA 3.4Å; G566-G570 PolarHBondContact O-N 2.85Å; G570-K572 VanDerWaalsContact C-N 3.29Å
571E69.5Low84Confident200 Ų20060.4 Ų60.494%0.93533%0.33SS*.SBendtrans-72-24.4176.9-63.9-177.6170.700112.7T573E571-T573 PolarHBondContact O-N 3.43Å
572K73Confident83.7Confident139 Ų13965.4 Ų65.460%0.60435%0.351SS*.  trans-72.7120.5-179.4-159.9-175.2-169.3-169.80109.4G570 Q574 H575G570-K572 VanDerWaalsContact C-N 3.29Å; K572-Q574 WeakPolarHBondContact CD-O 3.42Å; K572-Q574 WeakPolarHBondContact CE-O 2.88Å; K572-Q574 WeakPolarHBondContact CG-O 3.46Å; K572-H575 PolarHBondContact O-NE2 2.81Å; K572-H575 VanDerWaalsContact O-NE2 3.1Å
573T66.9Low83.5Confident92 Ų9266.8 Ų66.856%0.56435%0.353SS*.  trans-92.2-40.7179.351.30000112N548 E571N548-T573 VanDerWaalsContact OD1-C 3.24Å; N548-T573 WeakPolarHBondContact OD1-CB 3.21Å; N548-T573 PolarHBondContact OD1-O 3.41Å; E571-T573 PolarHBondContact O-N 3.43Å
574Q70.8Confident83.3Confident141 Ų14165.1 Ų65.166%0.65934%0.342SS*.  trans-94.8122.8179-70.4-172.9-13.500112.2K572K572-Q574 WeakPolarHBondContact CD-O 3.42Å; K572-Q574 WeakPolarHBondContact CE-O 2.88Å; K572-Q574 WeakPolarHBondContact CG-O 3.46Å
575H76.7Confident82.7Confident35 Ų3573.3 Ų73.316%0.16238%0.38CS..  trans-118132.2179.2-71.8-87.6000110.1I549 K572 L577 T580I549-H575 HydrophobicContact CD1-CB 3.75Å; I549-H575 HydrophobicContact CG1-CB 4.34Å; K572-H575 PolarHBondContact O-NE2 2.81Å; K572-H575 VanDerWaalsContact O-NE2 3.1Å; H575-L577 PolarHBondContact O-N 2.67Å; H575-T580 WeakPolarHBondContact CB-OG1 3.47Å
576D84.9Confident82Confident87 Ų8773.3 Ų73.347%0.46539%0.385SS..  trans-70.2111.3157.2-176.5-20.2000107S578 E579 T580D576-S578 VanDerWaalsContact CG-OG 3.28Å; D576-S578 PolarHBondContact O-N 3.36Å; D576-S578 WeakPolarHBondContact OD1-CB 3.24Å; D576-S578 PolarHBondContact OD1-N 2.72Å; D576-S578 PolarHBondContact OD1-OG 2.93Å; D576-S578 PolarHBondContact OD2-OG 2.87Å; D576-E579 HydrophobicContact CB-CB 4.2Å; D576-E579 HydrophobicContact CB-CG 4.25Å; D576-E579 PolarHBondContact O-N 2.79Å; D576-T580 VanDerWaalsContact O-CB 3.29Å; D576-T580 WeakPolarHBondContact O-CB 3.41Å; D576-T580 PolarHBondContact O-N 2.73Å; D576-T580 PolarHBondContact O-OG1 3.24Å
577L84.6Confident81.6Confident30 Ų3074.9 Ų74.916%0.15738%0.383CS..Hα-helixtrans-62.3-30.4-177.4-60.8179.6000111.8V505 Y507 F542 L544 I549 H575 T580 V581V505-L577 HydrophobicContact CB-CD1 3.81Å; V505-L577 HydrophobicContact CG1-CD1 4.01Å; V505-L577 HydrophobicContact CG2-CD1 3.62Å; Y507-L577 HydrophobicContact CE2-CB 4.13Å; F542-L577 HydrophobicContact CB-CD2 4.32Å; F542-L577 HydrophobicContact CD2-CD2 4.08Å; F542-L577 HydrophobicContact CG-CD2 4.17Å; L544-L577 HydrophobicContact CD1-CD1 4.13Å; L544-L577 HydrophobicContact CD2-CD1 4.42Å; L544-L577 HydrophobicContact CD2-CD2 4.27Å; I549-L577 HydrophobicContact CD1-CD2 3.7Å; I549-L577 HydrophobicContact CG1-CD2 3.84Å; H575-L577 PolarHBondContact O-N 2.67Å; L577-T580 PolarHBondContact O-N 2.87Å; L577-V581 PolarHBondContact O-N 2.91Å
578S80.6Confident81.2Confident20 Ų2077.7 Ų77.714%0.1440%0.398CS..Hα-helixtrans-73.9-29.4179.673.70000113.9Y507 N515 D576 V581Y507-S578 PolarHBondContact OH-N 2.87Å; N515-S578 VanDerWaalsContact O-CB 3.32Å; N515-S578 WeakPolarHBondContact O-CB 3.44Å; D576-S578 VanDerWaalsContact CG-OG 3.28Å; D576-S578 PolarHBondContact O-N 3.36Å; D576-S578 WeakPolarHBondContact OD1-CB 3.24Å; D576-S578 PolarHBondContact OD1-N 2.72Å; D576-S578 PolarHBondContact OD1-OG 2.93Å; D576-S578 PolarHBondContact OD2-OG 2.87Å; S578-V581 WeakPolarHBondContact O-CG1 3.3Å
579E84.3Confident80.7Confident98 Ų9881.4 Ų81.446%0.45842%0.416SS..Hα-helixtrans-82.3-37.4170.1-68-58.6141.600110.9D576 V581 K582D576-E579 HydrophobicContact CB-CB 4.2Å; D576-E579 HydrophobicContact CB-CG 4.25Å; D576-E579 PolarHBondContact O-N 2.79Å; E579-V581 VanDerWaalsContact C-N 3.34Å; E579-V581 PolarHBondContact O-N 3.14Å; E579-K582 WeakPolarHBondContact O-CB 3.08Å; E579-K582 PolarHBondContact O-N 3.05Å; E579-K582 VanDerWaalsContact O-N 3.16Å; E579-K582 IonicContact OE1-NZ 3.65Å; E579-K582 PolarHBondContact OE1-NZ 3Å; E579-K582 WeakPolarHBondContact OE2-CE 3.2Å; E579-K582 IonicContact OE2-NZ 3.49Å; E579-K582 PolarHBondContact OE2-NZ 3.08Å
580T86.4Confident80.4Confident8 Ų880.6 Ų80.65%0.04941%0.407CS..Hα-helixtrans-65.6-37.2-178.1-58.20000111.9F542 I549 L567 H575 D576 L577 K582 L583F542-T580 HydrophobicContact CE1-CG2 4.13Å; F542-T580 HydrophobicContact CZ-CG2 4.03Å; I549-T580 HydrophobicContact CD1-CG2 4.08Å; L567-T580 HydrophobicContact CD1-CG2 3.53Å; L567-T580 HydrophobicContact CD2-CG2 3.73Å; L567-T580 HydrophobicContact CG-CG2 4.3Å; H575-T580 WeakPolarHBondContact CB-OG1 3.47Å; D576-T580 VanDerWaalsContact O-CB 3.29Å; D576-T580 WeakPolarHBondContact O-CB 3.41Å; D576-T580 PolarHBondContact O-N 2.73Å; D576-T580 PolarHBondContact O-OG1 3.24Å; L577-T580 PolarHBondContact O-N 2.87Å; T580-K582 PolarHBondContact O-N 3.12Å; T580-L583 WeakPolarHBondContact O-CB 3.33Å; T580-L583 WeakPolarHBondContact O-CG 3.34Å; T580-L583 PolarHBondContact O-N 3.08Å
581V86.4Confident80.3Confident11 Ų1183.3 Ų83.37%0.06741%0.408CS..G310 helixtrans-62-29176.570.50000112.6Y507 F542 L577 S578 E579 L583 F584 L586Y507-V581 VanDerWaalsContact CB-CG2 3.46Å; Y507-V581 HydrophobicContact CD1-CB 4.19Å; Y507-V581 HydrophobicContact CD1-CG1 3.92Å; Y507-V581 HydrophobicContact CD1-CG2 3.99Å; Y507-V581 HydrophobicContact CD2-CB 3.98Å; Y507-V581 HydrophobicContact CD2-CG2 3.87Å; Y507-V581 HydrophobicContact CE1-CB 4.43Å; Y507-V581 HydrophobicContact CE1-CG1 3.95Å; Y507-V581 HydrophobicContact CE2-CB 4.25Å; Y507-V581 HydrophobicContact CG-CB 3.95Å; Y507-V581 HydrophobicContact CG-CG1 4.21Å; Y507-V581 HydrophobicContact CG-CG2 3.51Å; F542-V581 HydrophobicContact CE2-CB 4.23Å; F542-V581 HydrophobicContact CZ-CB 4.48Å; L577-V581 PolarHBondContact O-N 2.91Å; S578-V581 WeakPolarHBondContact O-CG1 3.3Å; E579-V581 VanDerWaalsContact C-N 3.34Å; E579-V581 PolarHBondContact O-N 3.14Å; V581-L583 PolarHBondContact O-N 3.23Å; V581-L583 VanDerWaalsContact O-N 3.12Å; V581-F584 WeakPolarHBondContact O-CB 3.31Å; V581-F584 PolarHBondContact O-N 3.09Å; V581-L586 HydrophobicContact CG2-CD1 3.59Å
582K86.9Confident81.1Confident118 Ų11875.5 Ų75.551%0.51337%0.372SS..G310 helixtrans-64.9-17.5179.6-59.2178.7-170.8167.40113.2E579 T580 F584E579-K582 WeakPolarHBondContact O-CB 3.08Å; E579-K582 PolarHBondContact O-N 3.05Å; E579-K582 VanDerWaalsContact O-N 3.16Å; E579-K582 IonicContact OE1-NZ 3.65Å; E579-K582 PolarHBondContact OE1-NZ 3Å; E579-K582 WeakPolarHBondContact OE2-CE 3.2Å; E579-K582 IonicContact OE2-NZ 3.49Å; E579-K582 PolarHBondContact OE2-NZ 3.08Å; T580-K582 PolarHBondContact O-N 3.12Å; K582-F584 PolarHBondContact O-N 3.45Å
583L87.9Confident81.6Confident102 Ų10271 Ų7153%0.53436%0.356SS..G310 helixtrans-71.7-13.8173.3-56.3176000112.5V563 L567 T580 V581V563-L583 HydrophobicContact CG1-CB 3.64Å; V563-L583 HydrophobicContact CG1-CD1 4.3Å; L567-L583 HydrophobicContact CD2-CD1 4.07Å; T580-L583 WeakPolarHBondContact O-CB 3.33Å; T580-L583 WeakPolarHBondContact O-CG 3.34Å; T580-L583 PolarHBondContact O-N 3.08Å; V581-L583 PolarHBondContact O-N 3.23Å; V581-L583 VanDerWaalsContact O-N 3.12Å
584F87.7Confident82.8Confident10 Ų1069.4 Ų69.44%0.04434%0.34CS..SBendtrans-103.7132178.1-60-87.5000110.7V540 F542 V552 L554 V563 A564 L567 V581 K582 L586V540-F584 HydrophobicContact CG1-CD2 4.34Å; V540-F584 HydrophobicContact CG1-CE2 4.2Å; V540-F584 HydrophobicContact CG1-CZ 4.32Å; V540-F584 HydrophobicContact CG2-CB 3.75Å; V540-F584 HydrophobicContact CG2-CD1 3.88Å; V540-F584 HydrophobicContact CG2-CD2 4.06Å; V540-F584 HydrophobicContact CG2-CG 3.62Å; F542-F584 AromaticContact CE1-CE2 3.83Å; F542-F584 HydrophobicContact CE1-CE2 3.83Å; F542-F584 HydrophobicContact CE1-CZ 4.33Å; F542-F584 HydrophobicContact CZ-CD2 4.28Å; F542-F584 AromaticContact CZ-CE2 3.78Å; F542-F584 HydrophobicContact CZ-CE2 3.78Å; V552-F584 HydrophobicContact CG1-CZ 4.17Å; L554-F584 HydrophobicContact CD2-CD1 3.74Å; L554-F584 HydrophobicContact CD2-CE1 3.41Å; L554-F584 VanDerWaalsContact CD2-CE1 3.41Å; L554-F584 HydrophobicContact CD2-CZ 4.28Å; V563-F584 HydrophobicContact CB-CD1 4.42Å; V563-F584 HydrophobicContact CB-CE1 3.9Å; V563-F584 HydrophobicContact CB-CZ 4.23Å; V563-F584 HydrophobicContact CG1-CD1 4.33Å; V563-F584 HydrophobicContact CG1-CE1 3.83Å; V563-F584 HydrophobicContact CG1-CE2 4.06Å; V563-F584 HydrophobicContact CG1-CZ 3.71Å; A564-F584 HydrophobicContact CB-CE1 4.38Å; A564-F584 HydrophobicContact CB-CZ 4.43Å; L567-F584 HydrophobicContact CD1-CE2 3.82Å; L567-F584 HydrophobicContact CD1-CZ 3.77Å; V581-F584 WeakPolarHBondContact O-CB 3.31Å; V581-F584 PolarHBondContact O-N 3.09Å; K582-F584 PolarHBondContact O-N 3.45Å; F584-L586 PolarHBondContact O-N 3.36Å
585E83.2Confident83.8Confident172 Ų17263.4 Ų63.480%0.80431%0.313SS*.  trans-75.579.5179.2-62.7-179.1172.100111.8K538 L557K538-E585 VanDerWaalsContact CE-O 3.29Å; K538-E585 WeakPolarHBondContact CE-O 3.34Å; K538-E585 PolarHBondContact NZ-O 3.32Å; L557-E585 VanDerWaalsContact CD2-O 3.28Å; L557-E585 WeakPolarHBondContact CD2-O 3.48Å
586L75.8Confident84.4Confident70 Ų7066 Ų6637%0.36633%0.327SS..  trans-72.50179.2-76.1172.8000114.3K538 V540 L557 V581 F584K538-L586 WeakPolarHBondContact CD-OXT 3.46Å; K538-L586 WeakPolarHBondContact CE-OXT 3.36Å; K538-L586 PolarHBondContact NZ-OXT 3.15Å; V540-L586 HydrophobicContact CG2-CD2 4.43Å; L557-L586 HydrophobicContact CD1-CD2 3.53Å; L557-L586 HydrophobicContact CD1-CG 4.45Å; V581-L586 HydrophobicContact CG2-CD1 3.59Å; F584-L586 PolarHBondContact O-N 3.36Å

Retrieved 586 of 586 residues in 135.7 ms (Link to these results)

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