A0A3Q0KKB3_SCHMA Loading...

WD_REPEATS_REGION domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KKB3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 535 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
1M66Low84.4Confident163 Ų163125.8 Ų125.880%0.80359%0.593SS**  0127.70-75.4-100.4-129.200109.3T3 N19M1-T3 PolarHBondContact O-N 3.49Å; M1-T3 VanDerWaalsContact O-N 3.13Å; M1-N19 PolarHBondContact N-OD1 3.29Å; M1-N19 PolarHBondContact O-ND2 3.27Å
2D78Confident85Confident109 Ų109124.5 Ų124.558%0.58358%0.579SS**  trans-71.998.1173-83.3-14000110.2K4 K5D2-K4 PolarHBondContact O-N 3.14Å; D2-K5 HydrophobicContact CB-CD 4Å; D2-K5 HydrophobicContact CB-CG 4.31Å; D2-K5 PolarHBondContact O-N 3.17Å; D2-K5 IonicContact OD2-NZ 3.96Å; D2-K5 PolarHBondContact OD2-NZ 3.33Å
3T81.6Confident85.5Confident25 Ų25124.3 Ų124.315%0.15358%0.575CS.*G310 helixtrans-69-20.2-175.559.60000113M1 K5 R12 A15 E16 N19M1-T3 PolarHBondContact O-N 3.49Å; M1-T3 VanDerWaalsContact O-N 3.13Å; T3-K5 VanDerWaalsContact C-N 3.3Å; T3-K5 PolarHBondContact O-N 2.97Å; T3-R12 WeakPolarHBondContact O-CG 3.38Å; T3-A15 HydrophobicContact CG2-CB 3.94Å; T3-E16 HydrophobicContact CG2-CB 4.47Å; T3-E16 HydrophobicContact CG2-CG 3.61Å; T3-N19 WeakPolarHBondContact CG2-ND2 3.38Å
4K82.2Confident86.1Confident188 Ų188125.3 Ų125.382%0.81758%0.577SS**G310 helixtrans-69.9-22.3178.9-65.3-175.9-179.8-179.70113.9D2D2-K4 PolarHBondContact O-N 3.14Å
5K84.1Confident86.6Confident163 Ų163117.7 Ų117.771%0.70954%0.544SS*.G310 helixtrans-87.3-8-177.2-69.1175.2177.8154.50113.5D2 T3D2-K5 HydrophobicContact CB-CD 4Å; D2-K5 HydrophobicContact CB-CG 4.31Å; D2-K5 PolarHBondContact O-N 3.17Å; D2-K5 IonicContact OD2-NZ 3.96Å; D2-K5 PolarHBondContact OD2-NZ 3.33Å; T3-K5 VanDerWaalsContact C-N 3.3Å; T3-K5 PolarHBondContact O-N 2.97Å
6L86.6Confident87Confident63 Ų63113.9 Ų113.933%0.3353%0.527SS..  trans-84.1125.3-179.4-70.2167.8000110.3R12 A15L6-R12 HydrophobicContact CB-CB 4.44Å; L6-A15 HydrophobicContact CD1-CB 3.74Å
7P86.1Confident87.4Confident127 Ų127110.1 Ų110.183%0.82552%0.519SS*.SBendtrans-72-37.8-174.326.3-33.1000112.8
8E90.2Very high87.8Confident110 Ų110110.8 Ų110.851%0.51452%0.521SS..SBendtrans-89.8135.5-176.6-61.7-175.1-171.300113F10 F11 R12E8-F10 VanDerWaalsContact C-N 3.27Å; E8-F10 PolarHBondContact O-N 2.74Å; E8-F11 HydrophobicContact CB-CD2 3.89Å; E8-F11 HydrophobicContact CG-CD2 4.29Å; E8-F11 PolarHBondContact O-N 3.19Å; E8-F11 WeakPolarHBondContact OE2-CD2 3.2Å; E8-F11 WeakPolarHBondContact OE2-CE2 3.18Å; E8-R12 WeakPolarHBondContact O-CB 3.36Å; E8-R12 PolarHBondContact O-N 3.48Å
9R89.5Confident88.2Confident194 Ų194107.7 Ų107.773%0.73251%0.508SS*.Hα-helixtrans-59.5-36179.3-169.4179.6-176.3-167.11.8112.8K13R9-K13 WeakPolarHBondContact O-CG 3.32Å; R9-K13 PolarHBondContact O-N 3.38Å
10F92.1Very high88.5Confident138 Ų138111.7 Ų111.761%0.60552%0.518SS*.Hα-helixtrans-63.8-53.9179.9176.1-99.6000111.7E8 R12 K13 K14E8-F10 VanDerWaalsContact C-N 3.27Å; E8-F10 PolarHBondContact O-N 2.74Å; F10-R12 VanDerWaalsContact C-N 3.29Å; F10-R12 PolarHBondContact O-N 3.03Å; F10-K13 PolarHBondContact O-N 2.65Å; F10-K14 PolarHBondContact O-N 3.18Å
11F92.2Very high88.9Confident104 Ų104113.7 Ų113.746%0.45653%0.525SS..Hα-helixtrans-62.8-37.1177.7-68.9-60.5000112.2E8 K14 A15E8-F11 HydrophobicContact CB-CD2 3.89Å; E8-F11 HydrophobicContact CG-CD2 4.29Å; E8-F11 PolarHBondContact O-N 3.19Å; E8-F11 WeakPolarHBondContact OE2-CD2 3.2Å; E8-F11 WeakPolarHBondContact OE2-CE2 3.18Å; F11-K14 PolarHBondContact O-N 3.28Å; F11-A15 WeakPolarHBondContact O-CB 3.13Å; F11-A15 PolarHBondContact O-N 3.37Å
12R91.3Very high90.3Very high110 Ų110108.5 Ų108.542%0.41550%0.502SS..Hα-helixtrans-59.1-49.8173.5-179.3171.6168.6-178.6-1.6112.1T3 L6 E8 F10 K14 A15 E16T3-R12 WeakPolarHBondContact O-CG 3.38Å; L6-R12 HydrophobicContact CB-CB 4.44Å; E8-R12 WeakPolarHBondContact O-CB 3.36Å; E8-R12 PolarHBondContact O-N 3.48Å; F10-R12 VanDerWaalsContact C-N 3.29Å; F10-R12 PolarHBondContact O-N 3.03Å; R12-K14 VanDerWaalsContact C-N 3.34Å; R12-K14 PolarHBondContact O-N 3.07Å; R12-A15 PolarHBondContact O-N 3.02Å; R12-E16 WeakPolarHBondContact CG-OE1 3.43Å; R12-E16 IonicContact CZ-OE1 3.95Å; R12-E16 IonicContact NE-OE1 2.89Å; R12-E16 PolarHBondContact NE-OE1 3.25Å; R12-E16 IonicContact NH2-OE1 3.87Å; R12-E16 WeakPolarHBondContact O-CB 3.44Å; R12-E16 WeakPolarHBondContact O-CG 3.49Å; R12-E16 PolarHBondContact O-N 3.27Å
13K91.9Very high91.1Very high122 Ų122109.9 Ų109.953%0.5350%0.503SS..Hα-helixtrans-59.9-42176.5-77.3-174.4176.5-173.60112.1R9 F10 E16 A17R9-K13 WeakPolarHBondContact O-CG 3.32Å; R9-K13 PolarHBondContact O-N 3.38Å; F10-K13 PolarHBondContact O-N 2.65Å; K13-E16 PolarHBondContact O-N 2.86Å; K13-A17 WeakPolarHBondContact O-CB 3.42Å; K13-A17 PolarHBondContact O-N 3.03Å
14K93.7Very high91.8Very high138 Ų138116.6 Ų116.660%0.653%0.527SS*.Hα-helixtrans-64.5-42.9178.2-168.5175.6-178.4179.10112F10 F11 R12 A17 F18F10-K14 PolarHBondContact O-N 3.18Å; F11-K14 PolarHBondContact O-N 3.28Å; R12-K14 VanDerWaalsContact C-N 3.34Å; R12-K14 PolarHBondContact O-N 3.07Å; K14-A17 PolarHBondContact O-N 3.3Å; K14-F18 PolarHBondContact O-N 3.24Å
15A93.3Very high92.5Very high11 Ų11109.9 Ų109.99%0.09151%0.507CS..Hα-helixtrans-66.6-38.9176.400000112.2T3 L6 F11 R12 F18 N19T3-A15 HydrophobicContact CG2-CB 3.94Å; L6-A15 HydrophobicContact CD1-CB 3.74Å; F11-A15 WeakPolarHBondContact O-CB 3.13Å; F11-A15 PolarHBondContact O-N 3.37Å; R12-A15 PolarHBondContact O-N 3.02Å; A15-F18 PolarHBondContact O-N 2.83Å; A15-N19 WeakPolarHBondContact O-CB 3.36Å; A15-N19 PolarHBondContact O-N 3.24Å
16E93.3Very high93.1Very high58 Ų58109.1 Ų109.127%0.27150%0.503SS..Hα-helixtrans-62-45.1173-73.8173.6-173.700111.4T3 R12 K13 F18 N19 R20T3-E16 HydrophobicContact CG2-CB 4.47Å; T3-E16 HydrophobicContact CG2-CG 3.61Å; R12-E16 WeakPolarHBondContact CG-OE1 3.43Å; R12-E16 IonicContact CZ-OE1 3.95Å; R12-E16 IonicContact NE-OE1 2.89Å; R12-E16 PolarHBondContact NE-OE1 3.25Å; R12-E16 IonicContact NH2-OE1 3.87Å; R12-E16 WeakPolarHBondContact O-CB 3.44Å; R12-E16 WeakPolarHBondContact O-CG 3.49Å; R12-E16 PolarHBondContact O-N 3.27Å; K13-E16 PolarHBondContact O-N 2.86Å; E16-F18 PolarHBondContact O-N 3.03Å; E16-N19 PolarHBondContact O-N 3.38Å; E16-R20 WeakPolarHBondContact O-CG 3.42Å; E16-R20 PolarHBondContact O-N 3.15Å
17A94.5Very high93.5Very high48 Ų48110.5 Ų110.540%0.39751%0.508SS..Hα-helixtrans-62-41.5175.600000112.3K13 K14 R20 K21K13-A17 WeakPolarHBondContact O-CB 3.42Å; K13-A17 PolarHBondContact O-N 3.03Å; K14-A17 PolarHBondContact O-N 3.3Å; A17-R20 PolarHBondContact O-N 3.36Å; A17-K21 WeakPolarHBondContact O-CG 3.49Å; A17-K21 PolarHBondContact O-N 2.77Å
18F94.5Very high93.9Very high123 Ų123106.4 Ų106.454%0.53948%0.482SS..Hα-helixtrans-63.1-48.1175.1-179.1-99.2000112K14 A15 E16 R20 K21 V22K14-F18 PolarHBondContact O-N 3.24Å; A15-F18 PolarHBondContact O-N 2.83Å; E16-F18 PolarHBondContact O-N 3.03Å; F18-R20 VanDerWaalsContact C-N 3.26Å; F18-R20 PolarHBondContact O-N 3.09Å; F18-K21 WeakPolarHBondContact O-CB 3.16Å; F18-K21 PolarHBondContact O-N 2.84Å; F18-K21 VanDerWaalsContact O-N 3.1Å; F18-V22 HydrophobicContact CD1-CG2 4Å; F18-V22 HydrophobicContact CE1-CG2 3.57Å; F18-V22 HydrophobicContact CE2-CG2 4.23Å; F18-V22 HydrophobicContact CG-CG2 4.49Å; F18-V22 HydrophobicContact CZ-CG2 3.7Å; F18-V22 WeakPolarHBondContact O-CG2 3.46Å; F18-V22 PolarHBondContact O-N 3.03Å
19N94.2Very high94Very high53 Ų53105.8 Ų105.828%0.28349%0.486SS..Hα-helixtrans-58.3-38.6176.4-76.1-20.2000111.8M1 T3 A15 E16 V22 K23M1-N19 PolarHBondContact N-OD1 3.29Å; M1-N19 PolarHBondContact O-ND2 3.27Å; T3-N19 WeakPolarHBondContact CG2-ND2 3.38Å; A15-N19 WeakPolarHBondContact O-CB 3.36Å; A15-N19 PolarHBondContact O-N 3.24Å; E16-N19 PolarHBondContact O-N 3.38Å; N19-V22 PolarHBondContact O-N 2.78Å; N19-K23 WeakPolarHBondContact O-CB 3.37Å; N19-K23 PolarHBondContact O-N 2.87Å
20R95.1Very high94.1Very high187 Ų187101 Ų10171%0.70648%0.478SS*.Hα-helixtrans-62.2-46.6174.2-73.7178.4-174.9-172.51.3111.7E16 A17 F18 V22 K23 Y24E16-R20 WeakPolarHBondContact O-CG 3.42Å; E16-R20 PolarHBondContact O-N 3.15Å; A17-R20 PolarHBondContact O-N 3.36Å; F18-R20 VanDerWaalsContact C-N 3.26Å; F18-R20 PolarHBondContact O-N 3.09Å; R20-V22 PolarHBondContact O-N 2.99Å; R20-K23 PolarHBondContact O-N 3.34Å; R20-Y24 PolarHBondContact O-N 2.75Å
21K96.3Very high94.1Very high154 Ų154100.8 Ų100.867%0.6748%0.479SS*.Hα-helixtrans-59.3-45.2175.4-72.9-177.1177.3-1710111.9A17 F18 K23 Y24 A25A17-K21 WeakPolarHBondContact O-CG 3.49Å; A17-K21 PolarHBondContact O-N 2.77Å; F18-K21 WeakPolarHBondContact O-CB 3.16Å; F18-K21 PolarHBondContact O-N 2.84Å; F18-K21 VanDerWaalsContact O-N 3.1Å; K21-K23 PolarHBondContact O-N 3.36Å; K21-Y24 PolarHBondContact O-N 3.16Å; K21-A25 WeakPolarHBondContact O-CB 3.49Å; K21-A25 PolarHBondContact O-N 3.06Å
22V95.5Very high94Very high53 Ų53100 Ų10032%0.32148%0.483SS..Hα-helixtrans-62.2-42.4177.2172.90000111.3F18 N19 R20 A25 K26F18-V22 HydrophobicContact CD1-CG2 4Å; F18-V22 HydrophobicContact CE1-CG2 3.57Å; F18-V22 HydrophobicContact CE2-CG2 4.23Å; F18-V22 HydrophobicContact CG-CG2 4.49Å; F18-V22 HydrophobicContact CZ-CG2 3.7Å; F18-V22 WeakPolarHBondContact O-CG2 3.46Å; F18-V22 PolarHBondContact O-N 3.03Å; N19-V22 PolarHBondContact O-N 2.78Å; R20-V22 PolarHBondContact O-N 2.99Å; V22-A25 PolarHBondContact O-N 3.47Å; V22-K26 HydrophobicContact CG1-CD 4.47Å; V22-K26 WeakPolarHBondContact O-CG 3.45Å; V22-K26 PolarHBondContact O-N 3.45Å
23K95.7Very high93.7Very high139 Ų13997.2 Ų97.260%0.60448%0.483SS*.Hα-helixtrans-63.1-45.9176.9-173.6179.8178.8-177.70111.4N19 R20 K21 K26 Q27N19-K23 WeakPolarHBondContact O-CB 3.37Å; N19-K23 PolarHBondContact O-N 2.87Å; R20-K23 PolarHBondContact O-N 3.34Å; K21-K23 PolarHBondContact O-N 3.36Å; K23-K26 PolarHBondContact O-N 3.1Å; K23-Q27 WeakPolarHBondContact O-CG 3.44Å; K23-Q27 PolarHBondContact O-N 2.72Å
24Y96.8Very high93.5Very high166 Ų16695.5 Ų95.565%0.65149%0.492SS*.Hα-helixtrans-60.9-45.3176.2179.2-99.6000111.5R20 K21 K26 Q27 S28R20-Y24 PolarHBondContact O-N 2.75Å; K21-Y24 PolarHBondContact O-N 3.16Å; Y24-K26 PolarHBondContact O-N 3.09Å; Y24-Q27 WeakPolarHBondContact O-CB 3.48Å; Y24-Q27 PolarHBondContact O-N 3.25Å; Y24-Q27 VanDerWaalsContact O-N 3.15Å; Y24-S28 PolarHBondContact O-N 2.72Å; Y24-S28 PolarHBondContact O-OG 2.93Å
25A96.5Very high93.3Very high47 Ų4794.9 Ų94.939%0.38849%0.494SS..Hα-helixtrans-58.6-46.1176.200000111.8K21 V22 Q27 S28 V29K21-A25 WeakPolarHBondContact O-CB 3.49Å; K21-A25 PolarHBondContact O-N 3.06Å; V22-A25 PolarHBondContact O-N 3.47Å; A25-Q27 VanDerWaalsContact C-N 3.33Å; A25-Q27 PolarHBondContact O-N 3.22Å; A25-S28 WeakPolarHBondContact CA-OG 3.21Å; A25-S28 PolarHBondContact O-N 3.34Å; A25-S28 PolarHBondContact O-OG 3.23Å; A25-V29 WeakPolarHBondContact O-CG2 3.14Å; A25-V29 PolarHBondContact O-N 3.1Å
26K95.6Very high93.1Very high146 Ų14699.1 Ų99.164%0.63551%0.512SS*.Hα-helixtrans-58.6-43.6174.9-73.9-178178.2-167.30112.3V22 K23 Y24 V29 T30V22-K26 HydrophobicContact CG1-CD 4.47Å; V22-K26 WeakPolarHBondContact O-CG 3.45Å; V22-K26 PolarHBondContact O-N 3.45Å; K23-K26 PolarHBondContact O-N 3.1Å; Y24-K26 PolarHBondContact O-N 3.09Å; K26-V29 PolarHBondContact O-N 3.41Å; K26-T30 WeakPolarHBondContact O-CG2 3.4Å; K26-T30 PolarHBondContact O-N 3.32Å; K26-T30 PolarHBondContact O-OG1 3.2Å
27Q95.3Very high92.6Very high93 Ų93103.7 Ų103.744%0.43554%0.538SS..Hα-helixtrans-63.5-41.7176.7-72.5175.7-30.200111.9K23 Y24 A25 V29 T30 Q31K23-Q27 WeakPolarHBondContact O-CG 3.44Å; K23-Q27 PolarHBondContact O-N 2.72Å; Y24-Q27 WeakPolarHBondContact O-CB 3.48Å; Y24-Q27 PolarHBondContact O-N 3.25Å; Y24-Q27 VanDerWaalsContact O-N 3.15Å; A25-Q27 VanDerWaalsContact C-N 3.33Å; A25-Q27 PolarHBondContact O-N 3.22Å; Q27-V29 PolarHBondContact O-N 2.98Å; Q27-T30 WeakPolarHBondContact CA-OG1 2.9Å; Q27-T30 PolarHBondContact O-N 3.08Å; Q27-T30 PolarHBondContact O-OG1 2.78Å; Q27-Q31 WeakPolarHBondContact O-CG 3.21Å; Q27-Q31 PolarHBondContact O-N 3.29Å
28S94.3Very high92.3Very high40 Ų40105.1 Ų105.128%0.2854%0.542SS..Hα-helixtrans-63.8-40.5176.264.90000112.2Y24 A25 T30 Q31 V32Y24-S28 PolarHBondContact O-N 2.72Å; Y24-S28 PolarHBondContact O-OG 2.93Å; A25-S28 WeakPolarHBondContact CA-OG 3.21Å; A25-S28 PolarHBondContact O-N 3.34Å; A25-S28 PolarHBondContact O-OG 3.23Å; S28-T30 VanDerWaalsContact C-N 3.34Å; S28-T30 PolarHBondContact O-N 2.75Å; S28-Q31 WeakPolarHBondContact O-CB 3.22Å; S28-Q31 PolarHBondContact O-N 3.03Å; S28-Q31 VanDerWaalsContact O-N 3.15Å; S28-V32 WeakPolarHBondContact O-CG2 3.37Å; S28-V32 PolarHBondContact O-N 3.47Å
29V92.1Very high92.1Very high97 Ų97106.7 Ų106.759%0.58856%0.555SS**Hα-helixtrans-63.2-41.8175.71730000110.8A25 K26 Q27 Q31 V32 A33A25-V29 WeakPolarHBondContact O-CG2 3.14Å; A25-V29 PolarHBondContact O-N 3.1Å; K26-V29 PolarHBondContact O-N 3.41Å; Q27-V29 PolarHBondContact O-N 2.98Å; V29-Q31 VanDerWaalsContact C-N 3.29Å; V29-Q31 PolarHBondContact O-N 3.24Å; V29-V32 PolarHBondContact O-N 2.95Å; V29-A33 PolarHBondContact O-N 3.19Å
30T92.8Very high91.9Very high94 Ų94106.8 Ų106.858%0.57756%0.559SS**Hα-helixtrans-64.8-32.3175.252.30000113K26 Q27 S28 A33 A34K26-T30 WeakPolarHBondContact O-CG2 3.4Å; K26-T30 PolarHBondContact O-N 3.32Å; K26-T30 PolarHBondContact O-OG1 3.2Å; Q27-T30 WeakPolarHBondContact CA-OG1 2.9Å; Q27-T30 PolarHBondContact O-N 3.08Å; Q27-T30 PolarHBondContact O-OG1 2.78Å; S28-T30 VanDerWaalsContact C-N 3.34Å; S28-T30 PolarHBondContact O-N 2.75Å; T30-A33 PolarHBondContact O-N 3.4Å; T30-A34 PolarHBondContact O-N 2.86Å
31Q91.9Very high91.6Very high133 Ų13399.3 Ų99.362%0.62154%0.54SS*.Hα-helixtrans-69.5-38.7173.6-72.7173.8-9.300111.7Q27 S28 V29 A33 A34Q27-Q31 WeakPolarHBondContact O-CG 3.21Å; Q27-Q31 PolarHBondContact O-N 3.29Å; S28-Q31 WeakPolarHBondContact O-CB 3.22Å; S28-Q31 PolarHBondContact O-N 3.03Å; S28-Q31 VanDerWaalsContact O-N 3.15Å; V29-Q31 VanDerWaalsContact C-N 3.29Å; V29-Q31 PolarHBondContact O-N 3.24Å; Q31-A33 VanDerWaalsContact C-N 3.33Å; Q31-A34 WeakPolarHBondContact O-CB 3.37Å; Q31-A34 PolarHBondContact O-N 3.43Å
32V88.8Confident91.3Very high88 Ų8895.5 Ų95.553%0.53353%0.532SS..Hα-helixtrans-64-39.6173.9173.80000111S28 V29 A34 L35S28-V32 WeakPolarHBondContact O-CG2 3.37Å; S28-V32 PolarHBondContact O-N 3.47Å; V29-V32 PolarHBondContact O-N 2.95Å; V32-A34 PolarHBondContact O-N 3.21Å; V32-L35 VanDerWaalsContact O-CB 3.32Å; V32-L35 WeakPolarHBondContact O-CB 3.35Å; V32-L35 PolarHBondContact O-N 2.94Å
33A86.9Confident91Very high51 Ų5194.3 Ų94.342%0.42152%0.524SS..Hα-helixtrans-61.7-27.5175.800000112.8V29 T30 Q31 L35 H36V29-A33 PolarHBondContact O-N 3.19Å; T30-A33 PolarHBondContact O-N 3.4Å; Q31-A33 VanDerWaalsContact C-N 3.33Å; A33-L35 PolarHBondContact O-N 3.15Å; A33-H36 WeakPolarHBondContact O-CB 3.42Å; A33-H36 PolarHBondContact O-CD2 3.43Å; A33-H36 PolarHBondContact O-N 3.33Å
34A87.7Confident90.6Very high86 Ų8695 Ų9571%0.71153%0.53SS*.THydrogen-bonded Turntrans-74.1-13.8174.100000113.6T30 Q31 V32 H36T30-A34 PolarHBondContact O-N 2.86Å; Q31-A34 WeakPolarHBondContact O-CB 3.37Å; Q31-A34 PolarHBondContact O-N 3.43Å; V32-A34 PolarHBondContact O-N 3.21Å; A34-H36 VanDerWaalsContact C-N 3.31Å
35L89.3Confident89.9Confident126 Ų12690.3 Ų90.366%0.6651%0.513SS*.THydrogen-bonded Turntrans-86.91.4175.1-58.8174.5000112.9V32 A33 N37V32-L35 VanDerWaalsContact O-CB 3.32Å; V32-L35 WeakPolarHBondContact O-CB 3.35Å; V32-L35 PolarHBondContact O-N 2.94Å; A33-L35 PolarHBondContact O-N 3.15Å; L35-N37 PolarHBondContact O-N 2.99Å; L35-N37 PolarHBondContact O-OD1 3.23Å; L35-N37 VanDerWaalsContact O-OD1 3.07Å
36H87.9Confident89.1Confident100 Ų10096.6 Ų96.646%0.46353%0.534SS..  trans-66.2119.9176.2-76.1-47.5000110.5A33 A34 N377A33-H36 WeakPolarHBondContact O-CB 3.42Å; A33-H36 PolarHBondContact O-CD2 3.43Å; A33-H36 PolarHBondContact O-N 3.33Å; A34-H36 VanDerWaalsContact C-N 3.31Å; H36-N377 WeakPolarHBondContact CB-ND2 3.33Å; H36-N377 VanDerWaalsContact ND1-CB 3.32Å; H36-N377 WeakPolarHBondContact ND1-CB 3.41Å
37N83.7Confident88.2Confident153 Ų15395.2 Ų95.282%0.81853%0.534SS*.  trans-85.5-25-172.1-65.2-23.2000112.9L35L35-N37 PolarHBondContact O-N 2.99Å; L35-N37 PolarHBondContact O-OD1 3.23Å; L35-N37 VanDerWaalsContact O-OD1 3.07Å
38V87.6Confident86.9Confident79 Ų7999 Ų9948%0.47955%0.551SS.*  trans-107122.5-172.1-170.50000109.5P376 N377V38-P376 HydrophobicContact CB-CB 3.95Å; V38-P376 HydrophobicContact CG1-CB 3.6Å; V38-N377 PolarHBondContact N-OD1 3.18Å; V38-N377 PolarHBondContact O-ND2 2.93Å
39L89.7Confident85.7Confident155 Ų155102 Ų10281%0.81256%0.564SS**PPolyproline II helixtrans-75.6142.8172.5-67.2172.8000109.7
40P90.5Very high84.8Confident55 Ų55100.8 Ų100.836%0.35755%0.552SS.*PPolyproline II helixtrans-68.9146.2174.131.1-35.2000110.8K291 P376P40-K291 HydrophobicContact CB-CD 4.21Å; P40-K291 VanDerWaalsContact CG-NZ 3.34Å; P40-P376 HydrophobicContact CB-CG 4.13Å
41G89.7Confident84Confident30 Ų3099.6 Ų99.631%0.30954%0.544SS..PPolyproline II helixtrans-60.9153.7170.300000111.5G372G41-G372 WeakPolarHBondContact O-CA 3.5Å; G41-G372 PolarHBondContact O-N 3.37Å
42S89.9Confident83.6Confident74 Ų7494 Ų9452%0.51752%0.518SS..  trans-147.2151.9169.457.50000109.6
43L89.1Confident83.5Confident28 Ų2892.7 Ų92.715%0.14751%0.511CS..  trans-119.1115.2168.6-169.768.3000106.5I52 M57 Y336 L337 P371L43-I52 HydrophobicContact CD1-CD1 3.68Å; L43-I52 HydrophobicContact CD1-CG2 4.4Å; L43-I52 HydrophobicContact CD2-CB 4.48Å; L43-I52 HydrophobicContact CD2-CD1 3.76Å; L43-I52 HydrophobicContact CD2-CG2 4.31Å; L43-I52 HydrophobicContact CG-CD1 3.66Å; L43-M57 HydrophobicContact CD1-SD 4.28Å; L43-M57 HydrophobicContact CD2-SD 4.25Å; L43-Y336 HydrophobicContact CB-CE1 4.32Å; L43-Y336 HydrophobicContact CB-CE2 3.74Å; L43-Y336 VanDerWaalsContact CB-OH 3.28Å; L43-Y336 WeakPolarHBondContact CB-OH 3.2Å; L43-Y336 PolarHBondContact N-OH 3.4Å; L43-Y336 VanDerWaalsContact O-CE2 3.29Å; L43-Y336 WeakPolarHBondContact O-CE2 3.06Å; L43-L337 HydrophobicContact CD2-CD1 4.32Å; L43-P371 HydrophobicContact CB-CB 4.36Å; L43-P371 HydrophobicContact CB-CG 4.46Å
44E86.3Confident83.7Confident154 Ų15490.6 Ų90.672%0.7249%0.492SS*.  trans-114124.6173.2-66.4-176.5176.600106.8
45K82.5Confident83.8Confident68 Ų6890.9 Ų90.930%0.29648%0.482SS..  trans-84.2137.8174.1-61.5179177.7-169.50107.7D47 E50 I52 A335K45-D47 VanDerWaalsContact C-N 3.32Å; K45-D47 WeakPolarHBondContact CB-O 3.5Å; K45-E50 HydrophobicContact CB-CB 4.4Å; K45-E50 WeakPolarHBondContact CD-O 3.32Å; K45-E50 WeakPolarHBondContact CE-O 3.49Å; K45-E50 PolarHBondContact NZ-O 3.43Å; K45-I52 HydrophobicContact CG-CD1 3.67Å; K45-I52 HydrophobicContact CG-CG1 4.33Å; K45-A335 PolarHBondContact NZ-O 3.16Å
46E80Confident83.9Confident179 Ų17988.5 Ų88.584%0.83647%0.469SS*.SBendtrans-68.2-41.3174.8-64.4-173.5166.800110E50E46-E50 PolarHBondContact N-OE2 3.15Å
47D75.7Confident84Confident117 Ų11784.1 Ų84.163%0.62645%0.449SS*.SBendtrans-118.5142.2176.3-70.1-34000111.4K45 N49 E50K45-D47 VanDerWaalsContact C-N 3.32Å; K45-D47 WeakPolarHBondContact CB-O 3.5Å; D47-N49 PolarHBondContact O-N 3.36Å; D47-N49 VanDerWaalsContact O-N 3.1Å; D47-E50 HydrophobicContact CB-CB 4.46Å; D47-E50 WeakPolarHBondContact O-CB 3.39Å; D47-E50 PolarHBondContact O-N 3.18Å
48E68.6Low84.5Confident172 Ų17278.9 Ų78.980%0.80442%0.422SS*.THydrogen-bonded Turntrans-58.1-29.6178.1-66.1-172.3159.600112.8E50E48-E50 VanDerWaalsContact C-N 3.35Å
49N68.2Low84.8Confident104 Ų10483.4 Ų83.456%0.55644%0.436SS*.THydrogen-bonded Turntrans-86-3.8-178.6-67.7-23.5000113.9D47 V51D47-N49 PolarHBondContact O-N 3.36Å; D47-N49 VanDerWaalsContact O-N 3.1Å; N49-V51 PolarHBondContact O-N 3.36Å
50E74.1Confident84.9Confident71 Ų7183.7 Ų83.733%0.33243%0.433SS..  trans-67.8124.2-179.2-162.7-176174.900110.8K45 E46 D47 E48 I52K45-E50 HydrophobicContact CB-CB 4.4Å; K45-E50 WeakPolarHBondContact CD-O 3.32Å; K45-E50 WeakPolarHBondContact CE-O 3.49Å; K45-E50 PolarHBondContact NZ-O 3.43Å; E46-E50 PolarHBondContact N-OE2 3.15Å; D47-E50 HydrophobicContact CB-CB 4.46Å; D47-E50 WeakPolarHBondContact O-CB 3.39Å; D47-E50 PolarHBondContact O-N 3.18Å; E48-E50 VanDerWaalsContact C-N 3.35Å; E50-I52 HydrophobicContact CG-CG1 4.45Å
51V75.1Confident85.1Confident68 Ų6883.5 Ų83.541%0.41243%0.43SS..  trans-98.395.8176.7-175.80000108.9N49 T53 I323N49-V51 PolarHBondContact O-N 3.36Å; V51-T53 PolarHBondContact O-N 3.47Å; V51-I323 HydrophobicContact CG2-CB 4.35Å; V51-I323 HydrophobicContact CG2-CG2 3.52Å
52I84Confident85.3Confident15 Ų1586.5 Ų86.58%0.07744%0.439CS..  trans-73.7117.9177.1-59.7179.3000109.3L43 K45 E50 M57L43-I52 HydrophobicContact CD1-CD1 3.68Å; L43-I52 HydrophobicContact CD1-CG2 4.4Å; L43-I52 HydrophobicContact CD2-CB 4.48Å; L43-I52 HydrophobicContact CD2-CD1 3.76Å; L43-I52 HydrophobicContact CD2-CG2 4.31Å; L43-I52 HydrophobicContact CG-CD1 3.66Å; K45-I52 HydrophobicContact CG-CD1 3.67Å; K45-I52 HydrophobicContact CG-CG1 4.33Å; E50-I52 HydrophobicContact CG-CG1 4.45Å; I52-M57 HydrophobicContact CG2-CG 3.54Å; I52-M57 HydrophobicContact CG2-SD 3.93Å
53T87.2Confident85.4Confident61 Ų6189.9 Ų89.937%0.37445%0.45SS..  trans-94.6156.3174.563.30000110.9V51 D55 I56 M57V51-T53 PolarHBondContact O-N 3.47Å; T53-D55 PolarHBondContact O-N 2.94Å; T53-I56 PolarHBondContact O-N 2.67Å; T53-I56 WeakPolarHBondContact OG1-CD1 3.4Å; T53-I56 WeakPolarHBondContact OG1-CG1 3.45Å; T53-M57 PolarHBondContact O-N 3.28Å
54Q90.2Very high85.6Confident8 Ų890.2 Ų90.24%0.03746%0.461CS..Hα-helixtrans-61.6-28.2177.6-69.8-71.5-34.500112.7I56 M57 V58 R69 H339 I368 L369Q54-I56 VanDerWaalsContact C-N 3.35Å; Q54-M57 HydrophobicContact CG-CE 4.17Å; Q54-M57 PolarHBondContact O-N 3.47Å; Q54-V58 WeakPolarHBondContact O-CG2 3.39Å; Q54-V58 PolarHBondContact O-N 2.87Å; Q54-R69 PolarHBondContact O-NH1 3.16Å; Q54-H339 WeakPolarHBondContact CG-CD2 3.38Å; Q54-I368 HydrophobicContact CG-CB 4.49Å; Q54-L369 PolarHBondContact NE2-O 2.94Å
55D90.1Very high85.9Confident91 Ų9184.5 Ų84.549%0.48744%0.438SS..Hα-helixtrans-71.8-31.1179-60.7-30.7000112.4T53 K59 R69T53-D55 PolarHBondContact O-N 2.94Å; D55-K59 WeakPolarHBondContact O-CG 3.47Å; D55-R69 IonicContact OD1-CZ 3.36Å; D55-R69 VanDerWaalsContact OD1-CZ 3.23Å; D55-R69 IonicContact OD1-NH1 2.75Å; D55-R69 PolarHBondContact OD1-NH1 3.37Å; D55-R69 IonicContact OD1-NH2 3.12Å; D55-R69 PolarHBondContact OD1-NH2 2.96Å
56I91.2Very high86.5Confident76 Ų7682.3 Ų82.339%0.3943%0.432SS..Hα-helixtrans-69.1-49.1172.1-64166.4000108.9T53 Q54 V58 K59 E60T53-I56 PolarHBondContact O-N 2.67Å; T53-I56 WeakPolarHBondContact OG1-CD1 3.4Å; T53-I56 WeakPolarHBondContact OG1-CG1 3.45Å; Q54-I56 VanDerWaalsContact C-N 3.35Å; I56-V58 VanDerWaalsContact C-N 3.32Å; I56-V58 PolarHBondContact O-N 2.7Å; I56-K59 WeakPolarHBondContact O-CB 3.37Å; I56-K59 PolarHBondContact O-N 2.91Å; I56-E60 PolarHBondContact O-N 3.26Å
57M91.5Very high87.2Confident9 Ų977.1 Ų77.14%0.04441%0.413CS..Hα-helixtrans-59.8-39.5-179-66-165.4-63.700113.1L43 I52 T53 Q54 K59 E60 V61 L337 L369 P371L43-M57 HydrophobicContact CD1-SD 4.28Å; L43-M57 HydrophobicContact CD2-SD 4.25Å; I52-M57 HydrophobicContact CG2-CG 3.54Å; I52-M57 HydrophobicContact CG2-SD 3.93Å; T53-M57 PolarHBondContact O-N 3.28Å; Q54-M57 HydrophobicContact CG-CE 4.17Å; Q54-M57 PolarHBondContact O-N 3.47Å; M57-K59 PolarHBondContact O-N 2.79Å; M57-E60 PolarHBondContact O-N 2.94Å; M57-V61 WeakPolarHBondContact O-CB 3.44Å; M57-V61 WeakPolarHBondContact O-CG2 3.42Å; M57-V61 PolarHBondContact O-N 2.92Å; M57-L337 HydrophobicContact CE-CD1 3.66Å; M57-L337 HydrophobicContact CE-CD2 4.47Å; M57-L337 HydrophobicContact SD-CD1 4.12Å; M57-L369 HydrophobicContact CE-CB 4.38Å; M57-L369 WeakPolarHBondContact CE-O 3.24Å; M57-P371 HydrophobicContact SD-CG 4.25Å
58V93Very high88.1Confident43 Ų4373.6 Ų73.626%0.26139%0.392SS..Hα-helixtrans-63.1-27.4178167.40000113.1Q54 I56 A66 R69 L369Q54-V58 WeakPolarHBondContact O-CG2 3.39Å; Q54-V58 PolarHBondContact O-N 2.87Å; I56-V58 VanDerWaalsContact C-N 3.32Å; I56-V58 PolarHBondContact O-N 2.7Å; V58-A66 HydrophobicContact CG1-CB 4.12Å; V58-R69 HydrophobicContact CG2-CB 4.32Å; V58-R69 HydrophobicContact CG2-CG 4.47Å; V58-L369 HydrophobicContact CG2-CD1 4.08Å
59K93.3Very high89.4Confident174 Ų17468.6 Ų68.676%0.75737%0.366SS*.Hα-helixtrans-79.3-33.6178.4-68.7174.9-177.7-1800112.6D55 I56 M57D55-K59 WeakPolarHBondContact O-CG 3.47Å; I56-K59 WeakPolarHBondContact O-CB 3.37Å; I56-K59 PolarHBondContact O-N 2.91Å; M57-K59 PolarHBondContact O-N 2.79Å
60E93.2Very high90.6Very high160 Ų16065.1 Ų65.175%0.74835%0.346SS*.Hα-helixtrans-83.5-29-177.9-66.2-55.8142.600113I56 M57I56-E60 PolarHBondContact O-N 3.26Å; M57-E60 PolarHBondContact O-N 2.94Å
61V93.4Very high91.6Very high51 Ų5166.6 Ų66.631%0.30936%0.356SS..SBendtrans-85.5154.4-175.8-177.20000111M57 S65M57-V61 WeakPolarHBondContact O-CB 3.44Å; M57-V61 WeakPolarHBondContact O-CG2 3.42Å; M57-V61 PolarHBondContact O-N 2.92Å; V61-S65 VanDerWaalsContact CG1-CB 3.4Å
62D94.1Very high92.4Very high93 Ų9365.8 Ų65.850%0.49735%0.351SS..  trans-56153.3174.875.1-63.9000113.1G64 S65 A66D62-G64 PolarHBondContact O-N 2.87Å; D62-G64 VanDerWaalsContact O-N 3.17Å; D62-G64 WeakPolarHBondContact OD2-CA 3.47Å; D62-G64 PolarHBondContact OD2-N 3.3Å; D62-G64 VanDerWaalsContact OD2-N 3.14Å; D62-S65 PolarHBondContact O-N 2.72Å; D62-S65 WeakPolarHBondContact OD1-CB 3.39Å; D62-S65 PolarHBondContact OD1-OG 3.25Å; D62-S65 PolarHBondContact OD2-N 2.84Å; D62-A66 WeakPolarHBondContact O-CB 3.32Å; D62-A66 PolarHBondContact O-N 2.56Å
63I93.8Very high93Very high145 Ų14573.5 Ų73.574%0.74438%0.384SS*.Hα-helixtrans-57.2-36.7-178-59.5162.2000111.1A66 T67I63-A66 PolarHBondContact O-N 2.73Å; I63-T67 HydrophobicContact CG2-CG2 4.36Å; I63-T67 WeakPolarHBondContact O-CG2 3.15Å; I63-T67 PolarHBondContact O-N 2.82Å
64G92.7Very high93.3Very high36 Ų3672.4 Ų72.437%0.37138%0.375SS..Hα-helixtrans-59.3-52.9179.400000111.3D62 T67D62-G64 PolarHBondContact O-N 2.87Å; D62-G64 VanDerWaalsContact O-N 3.17Å; D62-G64 WeakPolarHBondContact OD2-CA 3.47Å; D62-G64 PolarHBondContact OD2-N 3.3Å; D62-G64 VanDerWaalsContact OD2-N 3.14Å; G64-T67 PolarHBondContact O-N 3.36Å; G64-T67 PolarHBondContact O-OG1 3.48Å
65S93.2Very high93.4Very high34 Ų3480.7 Ų80.724%0.23841%0.414CS..Hα-helixtrans-72.6-33.5177.5-480000112.6V61 D62 T67 K68 L369V61-S65 VanDerWaalsContact CG1-CB 3.4Å; D62-S65 PolarHBondContact O-N 2.72Å; D62-S65 WeakPolarHBondContact OD1-CB 3.39Å; D62-S65 PolarHBondContact OD1-OG 3.25Å; D62-S65 PolarHBondContact OD2-N 2.84Å; S65-T67 VanDerWaalsContact C-N 3.26Å; S65-T67 PolarHBondContact O-N 3.35Å; S65-K68 VanDerWaalsContact O-CB 3.22Å; S65-K68 WeakPolarHBondContact O-CB 2.82Å; S65-K68 PolarHBondContact O-N 2.95Å; S65-K68 VanDerWaalsContact O-N 3.08Å; S65-L369 WeakPolarHBondContact O-CD2 3.32Å
66A94.7Very high93.6Very high21 Ų2181.1 Ų81.117%0.17441%0.41CS..Hα-helixtrans-57.1-38.8174.600000112.5V58 D62 I63 K68 R69V58-A66 HydrophobicContact CG1-CB 4.12Å; D62-A66 WeakPolarHBondContact O-CB 3.32Å; D62-A66 PolarHBondContact O-N 2.56Å; I63-A66 PolarHBondContact O-N 2.73Å; A66-K68 PolarHBondContact O-N 2.79Å; A66-R69 PolarHBondContact O-N 2.93Å
67T94.6Very high93.4Very high71 Ų7178.4 Ų78.444%0.43640%0.401SS..THydrogen-bonded Turntrans-67.2-18179.264.50000114.6I63 G64 S65 R69 K107I63-T67 HydrophobicContact CG2-CG2 4.36Å; I63-T67 WeakPolarHBondContact O-CG2 3.15Å; I63-T67 PolarHBondContact O-N 2.82Å; G64-T67 PolarHBondContact O-N 3.36Å; G64-T67 PolarHBondContact O-OG1 3.48Å; S65-T67 VanDerWaalsContact C-N 3.26Å; S65-T67 PolarHBondContact O-N 3.35Å; T67-R69 VanDerWaalsContact C-N 3.3Å; T67-K107 PolarHBondContact O-NZ 3.19Å
68K94.8Very high93.6Very high43 Ų4379.4 Ų79.419%0.18741%0.408CS..THydrogen-bonded Turntrans-75.5-20.2177.9-59.8177.7-175.5-168.10112.3S65 A66 F70 W104 E354 V356 S367 L369S65-K68 VanDerWaalsContact O-CB 3.22Å; S65-K68 WeakPolarHBondContact O-CB 2.82Å; S65-K68 PolarHBondContact O-N 2.95Å; S65-K68 VanDerWaalsContact O-N 3.08Å; A66-K68 PolarHBondContact O-N 2.79Å; K68-F70 WeakPolarHBondContact O-CD1 3.5Å; K68-F70 PolarHBondContact O-N 2.98Å; K68-W104 HydrophobicContact CB-CZ3 3.91Å; K68-W104 HydrophobicContact CD-CH2 4.32Å; K68-W104 HydrophobicContact CD-CZ3 4.35Å; K68-W104 HydrophobicContact CG-CH2 4.47Å; K68-W104 HydrophobicContact CG-CZ3 4.01Å; K68-E354 WeakPolarHBondContact CD-OE2 3.43Å; K68-E354 WeakPolarHBondContact CE-OE2 3.3Å; K68-E354 IonicContact NZ-OE1 3.81Å; K68-E354 PolarHBondContact NZ-OE1 2.86Å; K68-E354 IonicContact NZ-OE2 3.88Å; K68-E354 PolarHBondContact NZ-OE2 2.88Å; K68-V356 HydrophobicContact CB-CG2 3.97Å; K68-V356 HydrophobicContact CD-CG2 4.11Å; K68-S367 WeakPolarHBondContact O-CB 3.43Å; K68-S367 PolarHBondContact O-OG 3.03Å; K68-L369 HydrophobicContact CB-CD2 4.3Å
69R94.6Very high93.8Very high67 Ų6777.3 Ų77.325%0.25340%0.395SS..  trans-75.5119.7166.8-173.8-168.9171.8-166.1-5.5108.9Q54 D55 V58 A66 T67 S367 L369Q54-R69 PolarHBondContact O-NH1 3.16Å; D55-R69 IonicContact OD1-CZ 3.36Å; D55-R69 VanDerWaalsContact OD1-CZ 3.23Å; D55-R69 IonicContact OD1-NH1 2.75Å; D55-R69 PolarHBondContact OD1-NH1 3.37Å; D55-R69 IonicContact OD1-NH2 3.12Å; D55-R69 PolarHBondContact OD1-NH2 2.96Å; V58-R69 HydrophobicContact CG2-CB 4.32Å; V58-R69 HydrophobicContact CG2-CG 4.47Å; A66-R69 PolarHBondContact O-N 2.93Å; T67-R69 VanDerWaalsContact C-N 3.3Å; R69-S367 WeakPolarHBondContact CA-O 3.14Å; R69-S367 WeakPolarHBondContact CG-O 3.48Å; R69-L369 HydrophobicContact CB-CG 4.25Å
70F94.4Very high93.9Very high30 Ų3069.3 Ų69.313%0.13236%0.362CS..EExtended strand (participates in β ladder)trans-156.2151.1173.665-88.8000110.4K68 V72 F102 W104 S367K68-F70 WeakPolarHBondContact O-CD1 3.5Å; K68-F70 PolarHBondContact O-N 2.98Å; F70-V72 HydrophobicContact CD2-CG2 3.63Å; F70-V72 HydrophobicContact CE2-CG2 3.67Å; F70-F102 HydrophobicContact CE2-CE2 4.26Å; F70-F102 HydrophobicContact CE2-CZ 4.07Å; F70-F102 HydrophobicContact CZ-CE2 4.08Å; F70-F102 HydrophobicContact CZ-CZ 4.11Å; F70-W104 HydrophobicContact CE1-CB 4.49Å; F70-W104 HydrophobicContact CE1-CE3 4.04Å; F70-W104 HydrophobicContact CZ-CB 4.21Å; F70-S367 PolarHBondContact N-O 2.82Å; F70-S367 PolarHBondContact O-N 2.92Å
71D93.9Very high94.1Very high102 Ų10261.7 Ų61.755%0.54533%0.326SS..EExtended strand (participates in β ladder)trans-119.4128.5175.1-66.2-26.3000109.2I365 S366D71-I365 CarbonylContact C-O 3.57Å; D71-I365 WeakPolarHBondContact CA-O 3.43Å; D71-S366 WeakPolarHBondContact OD1-CA 3.33Å; D71-S366 WeakPolarHBondContact OD1-CB 3.33Å
72V93.7Very high94.3Very high51 Ų5159.9 Ų59.931%0.30932%0.315SS..EExtended strand (participates in β ladder)trans-110.2116175.1-169.10000107.9F70 L74 G364 I365F70-V72 HydrophobicContact CD2-CG2 3.63Å; F70-V72 HydrophobicContact CE2-CG2 3.67Å; V72-L74 HydrophobicContact CG1-CD1 4.21Å; V72-L74 HydrophobicContact CG1-CD2 3.71Å; V72-L74 HydrophobicContact CG1-CG 3.79Å; V72-G364 CarbonylContact O-C 3.59Å; V72-G364 VanDerWaalsContact O-CA 3.25Å; V72-G364 WeakPolarHBondContact O-CA 3.47Å; V72-I365 PolarHBondContact N-O 3.45Å; V72-I365 PolarHBondContact O-N 2.78Å
73K95Very high94.4Very high177 Ų17756 Ų5677%0.7729%0.293SS*.EExtended strand (participates in β ladder)trans-87.5122.1175.5-64.1-179.6-177.7177.20109.3
74L94.5Very high94.5Very high38 Ų3849.1 Ų49.120%0.19926%0.258CS..  trans-136.3155.5-176.3-55.9170000110.8V72 Y79 L92 A363V72-L74 HydrophobicContact CG1-CD1 4.21Å; V72-L74 HydrophobicContact CG1-CD2 3.71Å; V72-L74 HydrophobicContact CG1-CG 3.79Å; L74-Y79 HydrophobicContact CB-CE1 4.39Å; L74-Y79 HydrophobicContact CB-CE2 3.56Å; L74-Y79 VanDerWaalsContact CB-CZ 3.44Å; L74-Y79 WeakPolarHBondContact CB-OH 3.25Å; L74-Y79 HydrophobicContact CD1-CD1 4.3Å; L74-Y79 HydrophobicContact CD1-CE1 3.75Å; L74-Y79 HydrophobicContact CD1-CE2 4.07Å; L74-Y79 HydrophobicContact CG-CE2 4.45Å; L74-L92 HydrophobicContact CD1-CD1 3.89Å; L74-A363 PolarHBondContact N-O 2.85Å; L74-A363 CarbonylContact O-C 3.56Å; L74-A363 WeakPolarHBondContact O-CA 3.44Å
75Q92.5Very high94.6Very high183 Ų18350.5 Ų50.586%0.85525%0.252SS*.SBendtrans-98-23.7-169.2-61.7-178.11.500114.9G77Q75-G77 VanDerWaalsContact C-N 3.33Å; Q75-G77 PolarHBondContact O-N 2.96Å
76Y93.8Very high94.6Very high99 Ų9949.1 Ų49.139%0.38824%0.242SC..SBendtrans-88.826.4-170.3-59.7-87.8000115.9Y79 G94 K95 S96 H98Y76-Y79 WeakPolarHBondContact CA-OH 3.32Å; Y76-Y79 WeakPolarHBondContact CB-OH 3.06Å; Y76-Y79 PolarHBondContact N-OH 2.68Å; Y76-G94 CarbonylContact O-C 3.12Å; Y76-G94 VanDerWaalsContact O-C 3.25Å; Y76-G94 WeakPolarHBondContact O-CA 3.41Å; Y76-K95 PolarHBondContact O-N 2.89Å; Y76-K95 VanDerWaalsContact O-N 3.14Å; Y76-S96 VanDerWaalsContact C-OG 3.29Å; Y76-S96 WeakPolarHBondContact CA-OG 3.32Å; Y76-S96 WeakPolarHBondContact CB-OG 3.48Å; Y76-S96 WeakPolarHBondContact CD1-OG 3.41Å; Y76-S96 PolarHBondContact O-N 2.93Å; Y76-S96 PolarHBondContact O-OG 3.29Å; Y76-S96 VanDerWaalsContact O-OG 3.1Å; Y76-H98 HydrophobicContact CD1-CB 4.43Å; Y76-H98 HydrophobicContact CD2-CB 3.64Å; Y76-H98 AromaticContact CD2-CD2 3.96Å; Y76-H98 AromaticContact CD2-CG 3.89Å; Y76-H98 HydrophobicContact CG-CB 3.59Å
77G86.9Confident94.5Very high20 Ų2048.1 Ų48.121%0.20623%0.234CC..  trans-77.1177.9-172.600000114.9Q75 Y79 S362Q75-G77 VanDerWaalsContact C-N 3.33Å; Q75-G77 PolarHBondContact O-N 2.96Å; G77-Y79 VanDerWaalsContact CA-CE2 3.5Å; G77-S362 VanDerWaalsContact CA-O 3.26Å; G77-S362 WeakPolarHBondContact CA-O 3.44Å
78P96Very high94.5Very high29 Ų2947.1 Ų47.119%0.18822%0.222CC..SBendcis-69.8149.8228.2-36.9000114.6K95 H346P78-K95 HydrophobicContact CG-CB 4.05Å; P78-K95 HydrophobicContact CG-CD 4.06Å; P78-K95 PolarHBondContact O-N 3.2Å; P78-H346 HydrophobicContact CB-CB 3.73Å
79Y96.9Very high94.5Very high0 Ų045.9 Ų45.90%022%0.217CC..EExtended strand (participates in β ladder)trans-96.9125.5-179-71.6-86.4000112.5L74 Y76 G77 L92 C93 H98 S361 I365L74-Y79 HydrophobicContact CB-CE1 4.39Å; L74-Y79 HydrophobicContact CB-CE2 3.56Å; L74-Y79 VanDerWaalsContact CB-CZ 3.44Å; L74-Y79 WeakPolarHBondContact CB-OH 3.25Å; L74-Y79 HydrophobicContact CD1-CD1 4.3Å; L74-Y79 HydrophobicContact CD1-CE1 3.75Å; L74-Y79 HydrophobicContact CD1-CE2 4.07Å; L74-Y79 HydrophobicContact CG-CE2 4.45Å; Y76-Y79 WeakPolarHBondContact CA-OH 3.32Å; Y76-Y79 WeakPolarHBondContact CB-OH 3.06Å; Y76-Y79 PolarHBondContact N-OH 2.68Å; G77-Y79 VanDerWaalsContact CA-CE2 3.5Å; Y79-L92 HydrophobicContact CD1-CB 4.42Å; Y79-L92 HydrophobicContact CD1-CD1 3.64Å; Y79-L92 HydrophobicContact CE1-CD1 3.64Å; Y79-C93 CarbonylContact C-O 3.18Å; Y79-C93 WeakPolarHBondContact CA-O 3.39Å; Y79-H98 HydrophobicContact CE1-CB 4.42Å; Y79-H98 AromaticContact CE1-ND1 3.58Å; Y79-S361 PolarHBondContact N-O 3.16Å; Y79-I365 HydrophobicContact CG-CG1 4.48Å
80A96.4Very high94.6Very high6 Ų642.7 Ų42.75%0.0521%0.205CC..EExtended strand (participates in β ladder)trans-84.4146.5158.500000109.2L92 C93 V122A80-L92 VanDerWaalsContact O-CA 3.31Å; A80-L92 WeakPolarHBondContact O-CA 3.37Å; A80-C93 PolarHBondContact N-O 3.45Å; A80-C93 PolarHBondContact O-N 2.94Å; A80-V122 HydrophobicContact CB-CG1 4.39Å
81I96.8Very high94.7Very high0 Ų041.3 Ų41.30%020%0.199CC..EExtended strand (participates in β ladder)trans-134.3140.3-174.2-58.1-177000109L90 A91 H347 R349 I365I81-L90 HydrophobicContact CG2-CD1 3.17Å; I81-L90 HydrophobicContact CG2-CD2 4.43Å; I81-L90 HydrophobicContact CG2-CG 4.06Å; I81-A91 WeakPolarHBondContact CA-O 3.46Å; I81-H347 PolarHBondContact O-CE1 2.95Å; I81-H347 PolarHBondContact O-ND1 3.46Å; I81-R349 PolarHBondContact O-NH1 2.86Å; I81-I365 HydrophobicContact CD1-CB 4.13Å; I81-I365 HydrophobicContact CD1-CD1 3.96Å; I81-I365 HydrophobicContact CD1-CG1 3.77Å; I81-I365 HydrophobicContact CD1-CG2 3.47Å; I81-I365 VanDerWaalsContact CD1-CG2 3.47Å; I81-I365 HydrophobicContact CG1-CD1 4.09Å; I81-I365 HydrophobicContact CG1-CG1 4.25Å
82D97.2Very high94.8Very high12 Ų1236.7 Ų36.76%0.06417%0.174CC..EExtended strand (participates in β ladder)trans-137138.1167.5-17140.2000111.8L90 A91 V122 K123 F124 R349D82-L90 WeakPolarHBondContact O-CD1 3.39Å; D82-A91 PolarHBondContact N-O 3.36Å; D82-A91 PolarHBondContact O-N 3.49Å; D82-V122 HydrophobicContact CB-CG1 4.34Å; D82-V122 WeakPolarHBondContact CB-O 3.32Å; D82-K123 HydrophobicContact CB-CD 4.36Å; D82-K123 IonicContact OD1-NZ 2.82Å; D82-K123 WeakPolarHBondContact OD2-CA 3.37Å; D82-K123 WeakPolarHBondContact OD2-CD 3.22Å; D82-F124 WeakPolarHBondContact O-CE2 3.36Å; D82-F124 PolarHBondContact OD2-N 2.89Å; D82-R349 VanDerWaalsContact CG-NH1 3.34Å; D82-R349 IonicContact OD1-CZ 2.92Å; D82-R349 IonicContact OD1-NH1 2.67Å; D82-R349 PolarHBondContact OD1-NH1 2.86Å
83Y96.9Very high95Very high11 Ų1134.3 Ų34.34%0.04316%0.16CC..EExtended strand (participates in β ladder)trans-93.9139.6170-76.4-82.4000109L90 W104 R349 C351Y83-L90 HydrophobicContact CD1-CB 4.35Å; Y83-L90 HydrophobicContact CD1-CD1 3.6Å; Y83-L90 HydrophobicContact CD2-CD1 3.93Å; Y83-L90 HydrophobicContact CE1-CB 4.2Å; Y83-L90 HydrophobicContact CE1-CD1 3.45Å; Y83-L90 VanDerWaalsContact CE1-CD1 3.45Å; Y83-L90 HydrophobicContact CE1-CD2 4.32Å; Y83-L90 HydrophobicContact CE1-CG 4.2Å; Y83-L90 HydrophobicContact CE2-CD1 3.81Å; Y83-L90 HydrophobicContact CG-CD1 3.82Å; Y83-W104 AromaticContact CD1-NE1 3.85Å; Y83-W104 AromaticContact CE1-CD1 3.88Å; Y83-W104 HydrophobicContact CE1-CD2 4.29Å; Y83-W104 AromaticContact CE1-CE2 3.93Å; Y83-W104 HydrophobicContact CE1-CG 4.26Å; Y83-W104 HydrophobicContact CE1-CZ2 4.48Å; Y83-W104 AromaticContact CE1-NE1 3.67Å; Y83-R349 HydrophobicContact CD2-CB 4.05Å; Y83-R349 HydrophobicContact CE2-CB 4.35Å; Y83-R349 WeakPolarHBondContact CE2-O 2.89Å; Y83-C351 HydrophobicContact CD1-CB 4.2Å; Y83-C351 HydrophobicContact CD2-CB 4.41Å; Y83-C351 HydrophobicContact CE1-CB 4Å; Y83-C351 HydrophobicContact CE2-CB 4.21Å; Y83-C351 HydrophobicContact CG-CB 4.42Å
84S95.9Very high95.1Very high2 Ų225.9 Ų25.91%0.01412%0.123CC..  trans-56150.9164.753.70000110.6N86 G87 R88 F89 F124S84-N86 WeakPolarHBondContact CB-OD1 2.9Å; S84-N86 PolarHBondContact O-N 2.72Å; S84-N86 PolarHBondContact OG-OD1 3Å; S84-G87 WeakPolarHBondContact O-CA 3.45Å; S84-G87 PolarHBondContact O-N 3.28Å; S84-R88 PolarHBondContact OG-N 3.47Å; S84-F89 PolarHBondContact N-O 2.85Å; S84-F89 WeakPolarHBondContact OG-CA 3.24Å; S84-F89 PolarHBondContact OG-N 3.42Å; S84-F89 PolarHBondContact OG-O 3.15Å; S84-F124 VanDerWaalsContact N-CD2 3.25Å
85R93.5Very high95.1Very high64 Ų6428.9 Ų28.924%0.24214%0.135CC..THydrogen-bonded Turntrans-61.2-28.7-174.8-171.6174.2165.6-169.42113.9G87 P164 Y165 P352 Y353 E382 E383R85-G87 VanDerWaalsContact C-N 3.3Å; R85-P164 VanDerWaalsContact NH1-CB 3.27Å; R85-Y165 PolarHBondContact NH2-OH 2.89Å; R85-P352 WeakPolarHBondContact O-CB 3.43Å; R85-Y353 WeakPolarHBondContact O-CE2 3.5Å; R85-E382 IonicContact CZ-OE1 3.75Å; R85-E382 IonicContact NH2-OE1 3.23Å; R85-E382 PolarHBondContact NH2-OE1 2.79Å; R85-E383 WeakPolarHBondContact CD-OE1 3.3Å; R85-E383 HydrophobicContact CG-CG 3.95Å; R85-E383 WeakPolarHBondContact CG-OE1 3.4Å; R85-E383 IonicContact CZ-OE1 3.14Å; R85-E383 IonicContact NE-OE1 3.93Å; R85-E383 PolarHBondContact NE-OE1 2.87Å
86N92.9Very high95.2Very high5 Ų523.3 Ų23.33%0.02712%0.116CC..THydrogen-bonded Turntrans-82.9-3.4173.364.7-12.9000113.8S84 R88 E128 P385S84-N86 WeakPolarHBondContact CB-OD1 2.9Å; S84-N86 PolarHBondContact O-N 2.72Å; S84-N86 PolarHBondContact OG-OD1 3Å; N86-R88 VanDerWaalsContact C-N 3.28Å; N86-R88 PolarHBondContact O-N 2.99Å; N86-R88 PolarHBondContact OD1-N 3.36Å; N86-E128 PolarHBondContact ND2-OE2 2.99Å; N86-P385 WeakPolarHBondContact O-CB 3.48Å; N86-P385 WeakPolarHBondContact O-CG 3.19Å
87G93.5Very high95.2Very high1 Ų118.6 Ų18.61%0.0110%0.097CC..SBendtrans73.210.2179.600000114.9S84 R85 W104 C351S84-G87 WeakPolarHBondContact O-CA 3.45Å; S84-G87 PolarHBondContact O-N 3.28Å; R85-G87 VanDerWaalsContact C-N 3.3Å; G87-W104 PolarHBondContact O-NE1 2.84Å; G87-C351 PolarHBondContact O-SG 3.41Å
88R93.5Very high95.7Very high49 Ų4917.9 Ų17.919%0.1859%0.089CC..SBendtrans-86.6-38.9-176-177.760.1178.5-1671.6113.8S84 N86 D103 W104 M105S84-R88 PolarHBondContact OG-N 3.47Å; N86-R88 VanDerWaalsContact C-N 3.28Å; N86-R88 PolarHBondContact O-N 2.99Å; N86-R88 PolarHBondContact OD1-N 3.36Å; R88-D103 IonicContact CZ-OD1 2.69Å; R88-D103 IonicContact CZ-OD2 3.64Å; R88-D103 VanDerWaalsContact NE-CG 3.25Å; R88-D103 IonicContact NE-OD1 3.31Å; R88-D103 PolarHBondContact NE-OD1 3.1Å; R88-D103 VanDerWaalsContact NE-OD1 3.16Å; R88-D103 IonicContact NE-OD2 2.64Å; R88-D103 PolarHBondContact NE-OD2 2.84Å; R88-D103 IonicContact NH2-OD1 2.89Å; R88-D103 IonicContact NH2-OD2 3.15Å; R88-D103 PolarHBondContact NH2-OD2 2.93Å; R88-W104 PolarHBondContact O-NE1 3.03Å; R88-M105 HydrophobicContact CB-CE 4.46Å; R88-M105 VanDerWaalsContact CD-CE 3.43Å; R88-M105 PolarHBondContact NH1-SD 3.28Å
89F96.2Very high95.7Very high18 Ų1816.6 Ų16.68%0.0798%0.08CC..EExtended strand (participates in β ladder)trans-110.1145-176.7-60-83.7000111.2S84 F102 D103 L110 F124 E128S84-F89 PolarHBondContact N-O 2.85Å; S84-F89 WeakPolarHBondContact OG-CA 3.24Å; S84-F89 PolarHBondContact OG-N 3.42Å; S84-F89 PolarHBondContact OG-O 3.15Å; F89-F102 WeakPolarHBondContact CA-O 3.35Å; F89-D103 HydrophobicContact CD1-CB 4.05Å; F89-D103 HydrophobicContact CE1-CB 3.83Å; F89-L110 HydrophobicContact CD1-CD1 3.52Å; F89-L110 HydrophobicContact CD1-CD2 4.3Å; F89-L110 HydrophobicContact CD1-CG 4.01Å; F89-L110 HydrophobicContact CE1-CD1 3.9Å; F89-L110 HydrophobicContact CE1-CD2 3.86Å; F89-L110 HydrophobicContact CE1-CG 4.09Å; F89-L110 HydrophobicContact CG-CD1 4.27Å; F89-F124 HydrophobicContact CB-CE1 4.24Å; F89-F124 HydrophobicContact CB-CE2 4.38Å; F89-F124 HydrophobicContact CB-CZ 3.73Å; F89-E128 HydrophobicContact CD2-CB 3.48Å; F89-E128 VanDerWaalsContact CD2-CB 3.48Å; F89-E128 VanDerWaalsContact CD2-CD 3.43Å; F89-E128 HydrophobicContact CD2-CG 3.65Å; F89-E128 HydrophobicContact CE2-CB 4.02Å; F89-E128 HydrophobicContact CE2-CG 3.61Å; F89-E128 WeakPolarHBondContact CE2-OE1 3.35Å; F89-E128 WeakPolarHBondContact CE2-OE2 3.49Å; F89-E128 HydrophobicContact CG-CB 4.16Å; F89-E128 HydrophobicContact CZ-CG 4.45Å
90L96.5Very high95.7Very high0 Ų017 Ų170%08%0.084CC..EExtended strand (participates in β ladder)trans-119.8126.7176-174.861.6000108.8I81 D82 Y83 A101 F102 W104I81-L90 HydrophobicContact CG2-CD1 3.17Å; I81-L90 HydrophobicContact CG2-CD2 4.43Å; I81-L90 HydrophobicContact CG2-CG 4.06Å; D82-L90 WeakPolarHBondContact O-CD1 3.39Å; Y83-L90 HydrophobicContact CD1-CB 4.35Å; Y83-L90 HydrophobicContact CD1-CD1 3.6Å; Y83-L90 HydrophobicContact CD2-CD1 3.93Å; Y83-L90 HydrophobicContact CE1-CB 4.2Å; Y83-L90 HydrophobicContact CE1-CD1 3.45Å; Y83-L90 VanDerWaalsContact CE1-CD1 3.45Å; Y83-L90 HydrophobicContact CE1-CD2 4.32Å; Y83-L90 HydrophobicContact CE1-CG 4.2Å; Y83-L90 HydrophobicContact CE2-CD1 3.81Å; Y83-L90 HydrophobicContact CG-CD1 3.82Å; L90-A101 CarbonylContact O-C 3.57Å; L90-A101 WeakPolarHBondContact O-CA 3.46Å; L90-F102 HydrophobicContact CB-CE1 4.4Å; L90-F102 HydrophobicContact CB-CZ 4.48Å; L90-F102 HydrophobicContact CD2-CE1 4.04Å; L90-F102 HydrophobicContact CD2-CZ 3.79Å; L90-F102 HydrophobicContact CG-CE1 4.4Å; L90-F102 PolarHBondContact N-O 3.31Å; L90-F102 PolarHBondContact O-N 3.32Å; L90-W104 HydrophobicContact CB-CB 3.98Å; L90-W104 HydrophobicContact CB-CG 4.16Å; L90-W104 HydrophobicContact CD2-CB 4.42Å
91A97Very high95.7Very high0 Ų016.8 Ų16.80%08%0.081CC..EExtended strand (participates in β ladder)trans-107143.1171.400000109.5I81 D82 A100 A101 V122 F124 V131I81-A91 WeakPolarHBondContact CA-O 3.46Å; D82-A91 PolarHBondContact N-O 3.36Å; D82-A91 PolarHBondContact O-N 3.49Å; A91-A100 WeakPolarHBondContact CA-O 3.38Å; A91-A101 HydrophobicContact CB-CB 4.4Å; A91-V122 HydrophobicContact CB-CG2 3.77Å; A91-F124 HydrophobicContact CB-CD2 4.12Å; A91-F124 HydrophobicContact CB-CE1 4.28Å; A91-F124 HydrophobicContact CB-CE2 3.43Å; A91-F124 VanDerWaalsContact CB-CE2 3.43Å; A91-F124 HydrophobicContact CB-CZ 3.52Å; A91-V131 HydrophobicContact CB-CG1 4.21Å
92L96.4Very high95.7Very high5 Ų518 Ų183%0.0269%0.087CC..EExtended strand (participates in β ladder)trans-137.4148.9177.863.9113.9000111.6L74 Y79 A80 I99 A100 F102 I365L74-L92 HydrophobicContact CD1-CD1 3.89Å; Y79-L92 HydrophobicContact CD1-CB 4.42Å; Y79-L92 HydrophobicContact CD1-CD1 3.64Å; Y79-L92 HydrophobicContact CE1-CD1 3.64Å; A80-L92 VanDerWaalsContact O-CA 3.31Å; A80-L92 WeakPolarHBondContact O-CA 3.37Å; L92-I99 WeakPolarHBondContact O-CA 3.34Å; L92-A100 HydrophobicContact CD1-CB 4.03Å; L92-A100 HydrophobicContact CD2-CB 3.98Å; L92-A100 HydrophobicContact CG-CB 3.93Å; L92-A100 WeakPolarHBondContact CG-O 3.45Å; L92-A100 PolarHBondContact N-O 2.61Å; L92-A100 PolarHBondContact O-N 3.04Å; L92-F102 HydrophobicContact CD2-CD1 3.79Å; L92-F102 HydrophobicContact CD2-CE1 3.4Å; L92-F102 VanDerWaalsContact CD2-CE1 3.4Å; L92-I365 HydrophobicContact CB-CD1 3.41Å; L92-I365 VanDerWaalsContact CB-CD1 3.41Å; L92-I365 HydrophobicContact CD1-CD1 4.11Å; L92-I365 HydrophobicContact CD2-CD1 3.56Å; L92-I365 HydrophobicContact CG-CD1 3.87Å
93C96.6Very high95.6Very high1 Ų118.4 Ų18.41%0.0079%0.089CC..EExtended strand (participates in β ladder)trans-143.2111.9-176.31610000108.9Y79 A80 H98 C119 V122Y79-C93 CarbonylContact C-O 3.18Å; Y79-C93 WeakPolarHBondContact CA-O 3.39Å; A80-C93 PolarHBondContact N-O 3.45Å; A80-C93 PolarHBondContact O-N 2.94Å; C93-H98 CarbonylContact C-O 3.52Å; C93-H98 WeakPolarHBondContact CA-O 3.08Å; C93-C119 WeakPolarHBondContact SG-CB 2.76Å; C93-V122 HydrophobicContact CB-CB 3.65Å; C93-V122 HydrophobicContact CB-CG1 3.74Å; C93-V122 HydrophobicContact CB-CG2 4.43Å
94G96.8Very high95.4Very high0 Ų017.9 Ų17.90%09%0.087CC..EExtended strand (participates in β ladder)trans-82141.3172.700000111.2Y76 S96 G97 H98Y76-G94 CarbonylContact O-C 3.12Å; Y76-G94 VanDerWaalsContact O-C 3.25Å; Y76-G94 WeakPolarHBondContact O-CA 3.41Å; G94-S96 PolarHBondContact O-N 2.68Å; G94-S96 VanDerWaalsContact O-N 3.14Å; G94-G97 PolarHBondContact O-N 3.39Å; G94-H98 PolarHBondContact N-O 3.32Å
95K95.7Very high95.2Very high102 Ų10219.7 Ų19.744%0.44310%0.096SC..THydrogen-bonded Turntrans-53.4-35.8-179.5-170.9177.1-177.4-176.20113.5Y76 P78 G97 E118 C119Y76-K95 PolarHBondContact O-N 2.89Å; Y76-K95 VanDerWaalsContact O-N 3.14Å; P78-K95 HydrophobicContact CG-CB 4.05Å; P78-K95 HydrophobicContact CG-CD 4.06Å; P78-K95 PolarHBondContact O-N 3.2Å; K95-G97 VanDerWaalsContact C-N 3.28Å; K95-G97 PolarHBondContact O-N 3.01Å; K95-E118 WeakPolarHBondContact CE-OE1 3.49Å; K95-E118 HydrophobicContact CG-CG 3.84Å; K95-E118 IonicContact NZ-OE1 2.68Å; K95-E118 VanDerWaalsContact O-CA 3.25Å; K95-E118 WeakPolarHBondContact O-CA 3.32Å; K95-E118 VanDerWaalsContact O-CG 3.24Å; K95-E118 WeakPolarHBondContact O-CG 3.31Å; K95-C119 WeakPolarHBondContact CA-O 3.36Å; K95-C119 PolarHBondContact O-N 3.02Å
96S94.8Very high95.2Very high65 Ų6520.9 Ų20.946%0.45511%0.11SC..THydrogen-bonded Turntrans-87.213.7-179.850.60000114.8Y76 G94Y76-S96 VanDerWaalsContact C-OG 3.29Å; Y76-S96 WeakPolarHBondContact CA-OG 3.32Å; Y76-S96 WeakPolarHBondContact CB-OG 3.48Å; Y76-S96 WeakPolarHBondContact CD1-OG 3.41Å; Y76-S96 PolarHBondContact O-N 2.93Å; Y76-S96 PolarHBondContact O-OG 3.29Å; Y76-S96 VanDerWaalsContact O-OG 3.1Å; G94-S96 PolarHBondContact O-N 2.68Å; G94-S96 VanDerWaalsContact O-N 3.14Å
97G93.8Very high95.2Very high0 Ų026 Ų260%013%0.132CC..SBendtrans106.16.816700000116G94 K95 V115 N117G94-G97 PolarHBondContact O-N 3.39Å; K95-G97 VanDerWaalsContact C-N 3.28Å; K95-G97 PolarHBondContact O-N 3.01Å; G97-V115 WeakPolarHBondContact CA-O 3.33Å; G97-V115 PolarHBondContact O-N 3.23Å; G97-N117 WeakPolarHBondContact CA-O 3.35Å
98H96.5Very high95.3Very high6 Ų632.6 Ų32.63%0.02816%0.16CC..EExtended strand (participates in β ladder)trans-79122.8173.2-177.9-101.2000110.5Y76 Y79 C93 G94 E112Y76-H98 HydrophobicContact CD1-CB 4.43Å; Y76-H98 HydrophobicContact CD2-CB 3.64Å; Y76-H98 AromaticContact CD2-CD2 3.96Å; Y76-H98 AromaticContact CD2-CG 3.89Å; Y76-H98 HydrophobicContact CG-CB 3.59Å; Y79-H98 HydrophobicContact CE1-CB 4.42Å; Y79-H98 AromaticContact CE1-ND1 3.58Å; C93-H98 CarbonylContact C-O 3.52Å; C93-H98 WeakPolarHBondContact CA-O 3.08Å; G94-H98 PolarHBondContact N-O 3.32Å; H98-E112 IonicContact CD2-OE1 3.91Å; H98-E112 IonicContact CE1-OE1 3.77Å; H98-E112 IonicContact NE2-OE1 3.59Å; H98-E112 PolarHBondContact NE2-OE1 3.43Å
99I96.4Very high95.3Very high1 Ų134.3 Ų34.31%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-125.4129.6179.1-55.3164.1000107.2L92 F111 E112 I113 V115 V133 Y141L92-I99 WeakPolarHBondContact O-CA 3.34Å; I99-F111 HydrophobicContact CG2-CE2 3.84Å; I99-F111 HydrophobicContact CG2-CZ 4.22Å; I99-E112 WeakPolarHBondContact O-CA 3.29Å; I99-I113 PolarHBondContact N-O 3.31Å; I99-I113 PolarHBondContact O-N 3.01Å; I99-I113 VanDerWaalsContact O-O 3.13Å; I99-V115 HydrophobicContact CD1-CB 4.35Å; I99-V115 HydrophobicContact CD1-CG2 3.49Å; I99-V115 VanDerWaalsContact CD1-CG2 3.49Å; I99-V115 HydrophobicContact CG1-CG2 4.47Å; I99-V133 HydrophobicContact CD1-CB 4.24Å; I99-V133 HydrophobicContact CD1-CG1 3.78Å; I99-V133 HydrophobicContact CD1-CG2 4.07Å; I99-V133 HydrophobicContact CG1-CG1 4.22Å; I99-V133 HydrophobicContact CG1-CG2 4.48Å; I99-V133 HydrophobicContact CG2-CG2 3.91Å; I99-Y141 HydrophobicContact CD1-CE2 3.91Å
100A96.1Very high95.2Very high10 Ų1036.3 Ų36.38%0.08319%0.189CC..EExtended strand (participates in β ladder)trans-143.7150172.500000110.8A91 L92 F111 E112A91-A100 WeakPolarHBondContact CA-O 3.38Å; L92-A100 HydrophobicContact CD1-CB 4.03Å; L92-A100 HydrophobicContact CD2-CB 3.98Å; L92-A100 HydrophobicContact CG-CB 3.93Å; L92-A100 WeakPolarHBondContact CG-O 3.45Å; L92-A100 PolarHBondContact N-O 2.61Å; L92-A100 PolarHBondContact O-N 3.04Å; A100-F111 WeakPolarHBondContact CA-O 3.28Å; A100-E112 HydrophobicContact CB-CB 4.27Å; A100-E112 HydrophobicContact CB-CG 4.27Å
101A96.7Very high95.2Very high0 Ų036.9 Ų36.90%019%0.191CC..EExtended strand (participates in β ladder)trans-131.7137.5168.900000108.6L90 A91 L110 F111 V131L90-A101 CarbonylContact O-C 3.57Å; L90-A101 WeakPolarHBondContact O-CA 3.46Å; A91-A101 HydrophobicContact CB-CB 4.4Å; A101-L110 HydrophobicContact CB-CB 4.4Å; A101-L110 HydrophobicContact CB-CD1 4.21Å; A101-L110 WeakPolarHBondContact O-CA 2.97Å; A101-L110 WeakPolarHBondContact O-CB 3.28Å; A101-L110 PolarHBondContact O-N 2.68Å; A101-F111 HydrophobicContact CB-CD1 4.02Å; A101-F111 HydrophobicContact CB-CE1 3.57Å; A101-F111 HydrophobicContact CB-CZ 4.06Å; A101-F111 PolarHBondContact N-O 2.91Å; A101-F111 PolarHBondContact O-N 2.96Å; A101-V131 HydrophobicContact CB-CG2 4.31Å
102F95.9Very high95.1Very high27 Ų2743 Ų4312%0.11822%0.22CC..EExtended strand (participates in β ladder)trans-148.9152.5-178.268.4-84.5000112.2F70 F89 L90 L92 W104 K108 P109F70-F102 HydrophobicContact CE2-CE2 4.26Å; F70-F102 HydrophobicContact CE2-CZ 4.07Å; F70-F102 HydrophobicContact CZ-CE2 4.08Å; F70-F102 HydrophobicContact CZ-CZ 4.11Å; F89-F102 WeakPolarHBondContact CA-O 3.35Å; L90-F102 HydrophobicContact CB-CE1 4.4Å; L90-F102 HydrophobicContact CB-CZ 4.48Å; L90-F102 HydrophobicContact CD2-CE1 4.04Å; L90-F102 HydrophobicContact CD2-CZ 3.79Å; L90-F102 HydrophobicContact CG-CE1 4.4Å; L90-F102 PolarHBondContact N-O 3.31Å; L90-F102 PolarHBondContact O-N 3.32Å; L92-F102 HydrophobicContact CD2-CD1 3.79Å; L92-F102 HydrophobicContact CD2-CE1 3.4Å; L92-F102 VanDerWaalsContact CD2-CE1 3.4Å; F102-W104 HydrophobicContact CD2-CB 3.93Å; F102-W104 HydrophobicContact CE2-CB 3.51Å; F102-W104 HydrophobicContact CZ-CB 4.24Å; F102-W104 PolarHBondContact O-N 3Å; F102-K108 CarbonylContact C-O 3.59Å; F102-K108 WeakPolarHBondContact CA-O 3.34Å; F102-K108 WeakPolarHBondContact CB-O 3.49Å; F102-P109 HydrophobicContact CB-CB 4.4Å
103D95.1Very high95.1Very high19 Ų1945 Ų4510%0.10223%0.23CC..EExtended strand (participates in β ladder)trans-72.8106.5164.8-176.5-30.1000107.1R88 F89 M105 V106 K107 K108R88-D103 IonicContact CZ-OD1 2.69Å; R88-D103 IonicContact CZ-OD2 3.64Å; R88-D103 VanDerWaalsContact NE-CG 3.25Å; R88-D103 IonicContact NE-OD1 3.31Å; R88-D103 PolarHBondContact NE-OD1 3.1Å; R88-D103 VanDerWaalsContact NE-OD1 3.16Å; R88-D103 IonicContact NE-OD2 2.64Å; R88-D103 PolarHBondContact NE-OD2 2.84Å; R88-D103 IonicContact NH2-OD1 2.89Å; R88-D103 IonicContact NH2-OD2 3.15Å; R88-D103 PolarHBondContact NH2-OD2 2.93Å; F89-D103 HydrophobicContact CD1-CB 4.05Å; F89-D103 HydrophobicContact CE1-CB 3.83Å; D103-M105 PolarHBondContact OD1-N 3.02Å; D103-V106 PolarHBondContact OD1-N 2.95Å; D103-V106 VanDerWaalsContact OD1-N 3.09Å; D103-K107 CarbonylContact O-C 3.53Å; D103-K107 WeakPolarHBondContact O-CA 3.48Å; D103-K107 PolarHBondContact O-N 2.95Å; D103-K108 PolarHBondContact N-O 2.8Å; D103-K108 PolarHBondContact O-N 3.35Å
104W94.3Very high95Very high0 Ų049.2 Ų49.20%026%0.256CS..THydrogen-bonded Turntrans-81.1-22.7-170.268.1-91.1000112.8K68 F70 Y83 G87 R88 L90 F102 C351 E354 V356K68-W104 HydrophobicContact CB-CZ3 3.91Å; K68-W104 HydrophobicContact CD-CH2 4.32Å; K68-W104 HydrophobicContact CD-CZ3 4.35Å; K68-W104 HydrophobicContact CG-CH2 4.47Å; K68-W104 HydrophobicContact CG-CZ3 4.01Å; F70-W104 HydrophobicContact CE1-CB 4.49Å; F70-W104 HydrophobicContact CE1-CE3 4.04Å; F70-W104 HydrophobicContact CZ-CB 4.21Å; Y83-W104 AromaticContact CD1-NE1 3.85Å; Y83-W104 AromaticContact CE1-CD1 3.88Å; Y83-W104 HydrophobicContact CE1-CD2 4.29Å; Y83-W104 AromaticContact CE1-CE2 3.93Å; Y83-W104 HydrophobicContact CE1-CG 4.26Å; Y83-W104 HydrophobicContact CE1-CZ2 4.48Å; Y83-W104 AromaticContact CE1-NE1 3.67Å; G87-W104 PolarHBondContact O-NE1 2.84Å; R88-W104 PolarHBondContact O-NE1 3.03Å; L90-W104 HydrophobicContact CB-CB 3.98Å; L90-W104 HydrophobicContact CB-CG 4.16Å; L90-W104 HydrophobicContact CD2-CB 4.42Å; F102-W104 HydrophobicContact CD2-CB 3.93Å; F102-W104 HydrophobicContact CE2-CB 3.51Å; F102-W104 HydrophobicContact CZ-CB 4.24Å; F102-W104 PolarHBondContact O-N 3Å; W104-C351 HydrophobicContact CZ2-CB 4.38Å; W104-C351 WeakPolarHBondContact CZ2-SG 3.48Å; W104-E354 HydrophobicContact CH2-CB 4.33Å; W104-E354 HydrophobicContact CH2-CG 4.49Å; W104-E354 WeakPolarHBondContact CH2-OE2 3.29Å; W104-E354 HydrophobicContact CZ2-CG 4.42Å; W104-E354 WeakPolarHBondContact CZ2-OE2 3.48Å; W104-V356 HydrophobicContact CH2-CB 4.34Å; W104-V356 HydrophobicContact CH2-CG1 4.48Å; W104-V356 HydrophobicContact CH2-CG2 4Å; W104-V356 HydrophobicContact CZ3-CG2 4.32Å
105M91.8Very high95Very high41 Ų4149.9 Ų49.920%0.20226%0.26CS..THydrogen-bonded Turntrans-70.4-46.8172.9-69.1-170.4-131.600110.9R88 D103 K107 E354R88-M105 HydrophobicContact CB-CE 4.46Å; R88-M105 VanDerWaalsContact CD-CE 3.43Å; R88-M105 PolarHBondContact NH1-SD 3.28Å; D103-M105 PolarHBondContact OD1-N 3.02Å; M105-K107 VanDerWaalsContact C-N 3.35Å; M105-E354 VanDerWaalsContact SD-OE1 3.42Å
106V92.7Very high94.9Very high88 Ų8851.1 Ų51.153%0.53328%0.279SS..THydrogen-bonded Turntrans-84.7-14.4179.4176.70000112D103 K108D103-V106 PolarHBondContact OD1-N 2.95Å; D103-V106 VanDerWaalsContact OD1-N 3.09Å; V106-K108 VanDerWaalsContact C-N 3.28Å; V106-K108 HydrophobicContact CG1-CB 4.09Å; V106-K108 PolarHBondContact O-N 3.4Å
107K93.7Very high94.8Very high113 Ų11351.1 Ų51.149%0.49127%0.273SS..THydrogen-bonded Turntrans61.436.7-175.9-55.7168-177.5171.30111.9T67 D103 M105T67-K107 PolarHBondContact O-NZ 3.19Å; D103-K107 CarbonylContact O-C 3.53Å; D103-K107 WeakPolarHBondContact O-CA 3.48Å; D103-K107 PolarHBondContact O-N 2.95Å; M105-K107 VanDerWaalsContact C-N 3.35Å
108K94.1Very high94.9Very high140 Ų14054.9 Ų54.961%0.60929%0.291SS*.EExtended strand (participates in β ladder)trans-106.1122179.2179.9176.7177.7178.90110.4F102 D103 V106F102-K108 CarbonylContact C-O 3.59Å; F102-K108 WeakPolarHBondContact CA-O 3.34Å; F102-K108 WeakPolarHBondContact CB-O 3.49Å; D103-K108 PolarHBondContact N-O 2.8Å; D103-K108 PolarHBondContact O-N 3.35Å; V106-K108 VanDerWaalsContact C-N 3.28Å; V106-K108 HydrophobicContact CG1-CB 4.09Å; V106-K108 PolarHBondContact O-N 3.4Å
109P93.9Very high94.9Very high84 Ų8454.8 Ų54.855%0.54529%0.291SS..EExtended strand (participates in β ladder)trans-66.4139.917528.8-33.5000111.5F102F102-P109 HydrophobicContact CB-CB 4.4Å
110L94.1Very high94.8Very high60 Ų6058 Ų5831%0.31430%0.303SS..EExtended strand (participates in β ladder)trans-80.7-56.8162.8-67.6176000108.6F89 A101 N143F89-L110 HydrophobicContact CD1-CD1 3.52Å; F89-L110 HydrophobicContact CD1-CD2 4.3Å; F89-L110 HydrophobicContact CD1-CG 4.01Å; F89-L110 HydrophobicContact CE1-CD1 3.9Å; F89-L110 HydrophobicContact CE1-CD2 3.86Å; F89-L110 HydrophobicContact CE1-CG 4.09Å; F89-L110 HydrophobicContact CG-CD1 4.27Å; A101-L110 HydrophobicContact CB-CB 4.4Å; A101-L110 HydrophobicContact CB-CD1 4.21Å; A101-L110 WeakPolarHBondContact O-CA 2.97Å; A101-L110 WeakPolarHBondContact O-CB 3.28Å; A101-L110 PolarHBondContact O-N 2.68Å; L110-N143 CarbonylContact C-O 3.31Å; L110-N143 VanDerWaalsContact C-O 3.31Å
111F95.9Very high94.9Very high12 Ų1257.7 Ų57.75%0.05330%0.3CS..EExtended strand (participates in β ladder)trans-153.2159.9174.971.4-91000111I99 A100 A101 I113 V131 D142 N143I99-F111 HydrophobicContact CG2-CE2 3.84Å; I99-F111 HydrophobicContact CG2-CZ 4.22Å; A100-F111 WeakPolarHBondContact CA-O 3.28Å; A101-F111 HydrophobicContact CB-CD1 4.02Å; A101-F111 HydrophobicContact CB-CE1 3.57Å; A101-F111 HydrophobicContact CB-CZ 4.06Å; A101-F111 PolarHBondContact N-O 2.91Å; A101-F111 PolarHBondContact O-N 2.96Å; F111-I113 HydrophobicContact CD2-CD1 4.02Å; F111-I113 HydrophobicContact CD2-CG1 4.07Å; F111-V131 HydrophobicContact CE1-CG2 4.17Å; F111-V131 HydrophobicContact CZ-CB 4.37Å; F111-V131 HydrophobicContact CZ-CG2 4.35Å; F111-D142 WeakPolarHBondContact CE1-O 3.45Å; F111-N143 WeakPolarHBondContact CD1-O 3.44Å
112E95.5Very high94.9Very high129 Ų12957.7 Ų57.760%0.60330%0.3SS*.EExtended strand (participates in β ladder)trans-143.1125.8173178.4176.1-17300108H98 I99 A100H98-E112 IonicContact CD2-OE1 3.91Å; H98-E112 IonicContact CE1-OE1 3.77Å; H98-E112 IonicContact NE2-OE1 3.59Å; H98-E112 PolarHBondContact NE2-OE1 3.43Å; I99-E112 WeakPolarHBondContact O-CA 3.29Å; A100-E112 HydrophobicContact CB-CB 4.27Å; A100-E112 HydrophobicContact CB-CG 4.27Å
113I95.9Very high94.9Very high47 Ų4757 Ų5724%0.24130%0.297CS..EExtended strand (participates in β ladder)trans-139.3146.5-175.5-66.5177.6000109.9I99 F111 V115 G145I99-I113 PolarHBondContact N-O 3.31Å; I99-I113 PolarHBondContact O-N 3.01Å; I99-I113 VanDerWaalsContact O-O 3.13Å; F111-I113 HydrophobicContact CD2-CD1 4.02Å; F111-I113 HydrophobicContact CD2-CG1 4.07Å; I113-V115 HydrophobicContact CG2-CG2 3.96Å; I113-G145 WeakPolarHBondContact CD1-O 3.49Å
114T96.1Very high95Very high90 Ų9056.6 Ų56.655%0.55229%0.294SS*.EExtended strand (participates in β ladder)trans-111.1118.416954.50000109.6
115V95.1Very high95.1Very high14 Ų1457.4 Ų57.49%0.08530%0.298CS..  trans-102.2143.4177.3-176.60000108.7G97 I99 I113 N117 E135 Y141G97-V115 WeakPolarHBondContact CA-O 3.33Å; G97-V115 PolarHBondContact O-N 3.23Å; I99-V115 HydrophobicContact CD1-CB 4.35Å; I99-V115 HydrophobicContact CD1-CG2 3.49Å; I99-V115 VanDerWaalsContact CD1-CG2 3.49Å; I99-V115 HydrophobicContact CG1-CG2 4.47Å; I113-V115 HydrophobicContact CG2-CG2 3.96Å; V115-N117 HydrophobicContact CG1-CB 4.24Å; V115-N117 PolarHBondContact O-N 3.05Å; V115-E135 WeakPolarHBondContact CG1-OE2 3.09Å; V115-Y141 WeakPolarHBondContact CG2-OH 3.42Å
116P94.3Very high95.1Very high128 Ų12857 Ų5783%0.83130%0.296SS*.SBendtrans-71.8-16.5-179.827.8-36.7000114.3
117N93.9Very high95Very high65 Ų6554.9 Ų54.935%0.34828%0.28SS..SBendtrans-90153.5-175.4-63-41.5000111.8G97 V115 C119 E135G97-N117 WeakPolarHBondContact CA-O 3.35Å; V115-N117 HydrophobicContact CG1-CB 4.24Å; V115-N117 PolarHBondContact O-N 3.05Å; N117-C119 PolarHBondContact O-N 2.76Å; N117-C119 PolarHBondContact O-SG 2.9Å; N117-E135 HydrophobicContact CB-CB 4.19Å; N117-E135 PolarHBondContact ND2-OE2 2.8Å
118E95.2Very high94.8Very high79 Ų7950.2 Ų50.237%0.36926%0.26SS..  trans-63.6128.7168.9-172.9-166.1-160.300110.1K95 R120 E135K95-E118 WeakPolarHBondContact CE-OE1 3.49Å; K95-E118 HydrophobicContact CG-CG 3.84Å; K95-E118 IonicContact NZ-OE1 2.68Å; K95-E118 VanDerWaalsContact O-CA 3.25Å; K95-E118 WeakPolarHBondContact O-CA 3.32Å; K95-E118 VanDerWaalsContact O-CG 3.24Å; K95-E118 WeakPolarHBondContact O-CG 3.31Å; E118-R120 IonicContact OE2-CZ 3.2Å; E118-R120 IonicContact OE2-NE 3.69Å; E118-R120 PolarHBondContact OE2-NE 3.22Å; E118-R120 IonicContact OE2-NH2 3.93Å; E118-R120 PolarHBondContact OE2-NH2 3.42Å; E118-E135 WeakPolarHBondContact O-CA 3.47Å
119C95.9Very high94.6Very high3 Ų344.2 Ų44.22%0.0224%0.235CC..  trans-107.7133.8177-56.50000109.9C93 K95 N117 V133 A134C93-C119 WeakPolarHBondContact SG-CB 2.76Å; K95-C119 WeakPolarHBondContact CA-O 3.36Å; K95-C119 PolarHBondContact O-N 3.02Å; N117-C119 PolarHBondContact O-N 2.76Å; N117-C119 PolarHBondContact O-SG 2.9Å; C119-V133 HydrophobicContact CB-CG1 4.05Å; C119-A134 CarbonylContact C-O 3.25Å; C119-A134 WeakPolarHBondContact CA-O 3.4Å
120R95.4Very high94.7Very high68 Ų6842.5 Ų42.526%0.25722%0.22SC..  trans-110.3-38.1-169.3-59.1-167.8-172.280.816.3114.1E118 A134 E135 I157E118-R120 IonicContact OE2-CZ 3.2Å; E118-R120 IonicContact OE2-NE 3.69Å; E118-R120 PolarHBondContact OE2-NE 3.22Å; E118-R120 IonicContact OE2-NH2 3.93Å; E118-R120 PolarHBondContact OE2-NH2 3.42Å; R120-A134 HydrophobicContact CB-CB 4.49Å; R120-A134 PolarHBondContact N-O 2.92Å; R120-E135 PolarHBondContact NH1-O 2.84Å; R120-I157 WeakPolarHBondContact CD-O 3.4Å; R120-I157 PolarHBondContact NH1-O 3.36Å
121D96.6Very high94.8Very high4 Ų439.7 Ų39.72%0.02121%0.205CC..  trans-151156.2-177.1-158.86.9000110.7A134 R159 M160D121-A134 HydrophobicContact CB-CB 4.27Å; D121-A134 PolarHBondContact O-N 2.9Å; D121-R159 VanDerWaalsContact OD2-CA 3.29Å; D121-R159 WeakPolarHBondContact OD2-CA 3.39Å; D121-R159 WeakPolarHBondContact OD2-CD 3.5Å; D121-M160 HydrophobicContact CB-CE 4.48Å; D121-M160 PolarHBondContact OD2-N 2.9Å
122V96.8Very high94.9Very high0 Ų039.1 Ų39.10%020%0.202CC..EExtended strand (participates in β ladder)trans-137.7135.9-179.162.30000109.9A80 D82 A91 C93 V131 A132 V133A80-V122 HydrophobicContact CB-CG1 4.39Å; D82-V122 HydrophobicContact CB-CG1 4.34Å; D82-V122 WeakPolarHBondContact CB-O 3.32Å; A91-V122 HydrophobicContact CB-CG2 3.77Å; C93-V122 HydrophobicContact CB-CB 3.65Å; C93-V122 HydrophobicContact CB-CG1 3.74Å; C93-V122 HydrophobicContact CB-CG2 4.43Å; V122-V131 HydrophobicContact CG2-CG1 3.39Å; V122-A132 WeakPolarHBondContact CA-O 3.33Å; V122-V133 HydrophobicContact CG2-CG2 4.1Å
123K97Very high95Very high13 Ų1333 Ų336%0.05717%0.174CC..EExtended strand (participates in β ladder)trans-142.2136.6177.5-77-62.1-172.2156.70112.4D82 A132 M160 E161 R349D82-K123 HydrophobicContact CB-CD 4.36Å; D82-K123 IonicContact OD1-NZ 2.82Å; D82-K123 WeakPolarHBondContact OD2-CA 3.37Å; D82-K123 WeakPolarHBondContact OD2-CD 3.22Å; K123-A132 PolarHBondContact N-O 2.82Å; K123-A132 PolarHBondContact O-N 3.17Å; K123-M160 WeakPolarHBondContact CE-O 3.3Å; K123-M160 HydrophobicContact CG-CB 3.97Å; K123-M160 WeakPolarHBondContact CG-O 3.11Å; K123-E161 VanDerWaalsContact CE-CD 3.46Å; K123-E161 WeakPolarHBondContact CE-OE1 3.49Å; K123-E161 WeakPolarHBondContact CE-OE2 3.48Å; K123-E161 IonicContact NZ-OE1 3.43Å; K123-E161 PolarHBondContact NZ-OE1 2.85Å; K123-E161 IonicContact NZ-OE2 3.72Å; K123-E161 PolarHBondContact NZ-OE2 2.92Å; K123-R349 VanDerWaalsContact NZ-NH1 3.13Å
124F97.1Very high95Very high10 Ų1030.8 Ų30.84%0.04416%0.162CC..EExtended strand (participates in β ladder)trans-71147.6163.4-74.9-75.3000110.9D82 S84 F89 A91 E128 V131D82-F124 WeakPolarHBondContact O-CE2 3.36Å; D82-F124 PolarHBondContact OD2-N 2.89Å; S84-F124 VanDerWaalsContact N-CD2 3.25Å; F89-F124 HydrophobicContact CB-CE1 4.24Å; F89-F124 HydrophobicContact CB-CE2 4.38Å; F89-F124 HydrophobicContact CB-CZ 3.73Å; A91-F124 HydrophobicContact CB-CD2 4.12Å; A91-F124 HydrophobicContact CB-CE1 4.28Å; A91-F124 HydrophobicContact CB-CE2 3.43Å; A91-F124 VanDerWaalsContact CB-CE2 3.43Å; A91-F124 HydrophobicContact CB-CZ 3.52Å; F124-E128 WeakPolarHBondContact CE1-O 3.46Å; F124-V131 HydrophobicContact CD1-CG2 3.73Å; F124-V131 HydrophobicContact CE1-CG2 3.52Å; F124-V131 HydrophobicContact CZ-CG2 4.34Å
125L96Very high95Very high17 Ų1726.9 Ų26.99%0.08914%0.138CC..  trans-93-146.9173.2-59.5-177.6000110.5Q127 F130 A132 I140 F162 L169L125-Q127 VanDerWaalsContact C-N 3.34Å; L125-F130 HydrophobicContact CB-CB 4.16Å; L125-F130 HydrophobicContact CD1-CB 3.93Å; L125-F130 HydrophobicContact CG-CB 4.29Å; L125-F130 PolarHBondContact N-O 3.49Å; L125-F130 VanDerWaalsContact N-O 3.12Å; L125-A132 HydrophobicContact CD2-CB 4.04Å; L125-A132 HydrophobicContact CG-CB 4.41Å; L125-I140 HydrophobicContact CD1-CD1 4.07Å; L125-I140 HydrophobicContact CD1-CG1 4.43Å; L125-I140 HydrophobicContact CD1-CG2 3.91Å; L125-F162 HydrophobicContact CB-CD2 4.5Å; L125-F162 HydrophobicContact CB-CE2 4.29Å; L125-F162 HydrophobicContact CB-CZ 4.33Å; L125-F162 HydrophobicContact CD2-CD2 3.56Å; L125-F162 HydrophobicContact CD2-CE2 3.92Å; L125-F162 HydrophobicContact CD2-CG 4.13Å; L125-L169 HydrophobicContact CD2-CD1 4.12Å
126H92.6Very high94.9Very high32 Ų3231.3 Ų31.315%0.14816%0.156CC..SBendtrans-72.3-29.3-17959.5-69.4000113F162 F167 E396H126-F162 HydrophobicContact CB-CE1 3.98Å; H126-F162 HydrophobicContact CB-CZ 3.87Å; H126-F167 HydrophobicContact CB-CD1 3.94Å; H126-F167 HydrophobicContact CB-CE1 3.48Å; H126-F167 VanDerWaalsContact CB-CE1 3.48Å; H126-F167 HydrophobicContact CB-CZ 3.97Å; H126-F167 AromaticContact CD2-CE1 3.52Å; H126-F167 AromaticContact CG-CD1 3.89Å; H126-F167 AromaticContact CG-CE1 3.41Å; H126-F167 VanDerWaalsContact CG-CE1 3.41Å; H126-E396 IonicContact CD2-OE1 3.45Å; H126-E396 PolarHBondContact CD2-OE1 3.12Å; H126-E396 IonicContact NE2-OE1 3.03Å; H126-E396 PolarHBondContact NE2-OE1 3.18Å
127Q90.3Very high95Very high45 Ų4528.3 Ų28.321%0.2113%0.128CC..SBendtrans-104.3147.4168-65-169.151.800110.1L125 T129 F130 E396L125-Q127 VanDerWaalsContact C-N 3.34Å; Q127-T129 VanDerWaalsContact CB-OG1 3.32Å; Q127-T129 WeakPolarHBondContact CB-OG1 3.42Å; Q127-T129 PolarHBondContact O-N 2.66Å; Q127-T129 PolarHBondContact OE1-OG1 2.67Å; Q127-F130 HydrophobicContact CB-CD2 4.14Å; Q127-F130 PolarHBondContact O-N 2.88Å; Q127-E396 PolarHBondContact NE2-OE1 3.48Å; Q127-E396 PolarHBondContact NE2-OE2 2.68Å
128E89Confident95.1Very high14 Ų1425.2 Ų25.27%0.06511%0.112CC..THydrogen-bonded Turntrans-67.9-6.2167.163.2-155.5-162.700114N86 F89 F124 R392N86-E128 PolarHBondContact ND2-OE2 2.99Å; F89-E128 HydrophobicContact CD2-CB 3.48Å; F89-E128 VanDerWaalsContact CD2-CB 3.48Å; F89-E128 VanDerWaalsContact CD2-CD 3.43Å; F89-E128 HydrophobicContact CD2-CG 3.65Å; F89-E128 HydrophobicContact CE2-CB 4.02Å; F89-E128 HydrophobicContact CE2-CG 3.61Å; F89-E128 WeakPolarHBondContact CE2-OE1 3.35Å; F89-E128 WeakPolarHBondContact CE2-OE2 3.49Å; F89-E128 HydrophobicContact CG-CB 4.16Å; F89-E128 HydrophobicContact CZ-CG 4.45Å; F124-E128 WeakPolarHBondContact CE1-O 3.46Å; E128-R392 WeakPolarHBondContact OE1-CD 3.4Å; E128-R392 IonicContact OE1-CZ 2.83Å; E128-R392 VanDerWaalsContact OE1-CZ 3.25Å; E128-R392 IonicContact OE1-NE 3.25Å; E128-R392 PolarHBondContact OE1-NE 3.43Å; E128-R392 IonicContact OE1-NH1 2.77Å; E128-R392 PolarHBondContact OE1-NH1 3.16Å
129T90.1Very high95.2Very high15 Ų1521.6 Ų21.69%0.09210%0.095CC..THydrogen-bonded Turntrans-83.4-27173.757.20000112.7Q127 D142 N143Q127-T129 VanDerWaalsContact CB-OG1 3.32Å; Q127-T129 WeakPolarHBondContact CB-OG1 3.42Å; Q127-T129 PolarHBondContact O-N 2.66Å; Q127-T129 PolarHBondContact OE1-OG1 2.67Å; T129-D142 CarbonylContact O-C 3.55Å; T129-N143 HydrophobicContact CG2-CB 4.13Å; T129-N143 PolarHBondContact O-N 3.35Å
130F95.7Very high95.3Very high48 Ų4821.9 Ų21.921%0.21110%0.097CC..  trans-102.5124.8-177.3-68-64.7000111.1L125 Q127 I140 Y141 D142 V148L125-F130 HydrophobicContact CB-CB 4.16Å; L125-F130 HydrophobicContact CD1-CB 3.93Å; L125-F130 HydrophobicContact CG-CB 4.29Å; L125-F130 PolarHBondContact N-O 3.49Å; L125-F130 VanDerWaalsContact N-O 3.12Å; Q127-F130 HydrophobicContact CB-CD2 4.14Å; Q127-F130 PolarHBondContact O-N 2.88Å; F130-I140 HydrophobicContact CB-CG2 4.31Å; F130-I140 HydrophobicContact CD1-CG2 4.15Å; F130-Y141 WeakPolarHBondContact CA-O 3.4Å; F130-D142 HydrophobicContact CE1-CB 4.48Å; F130-V148 HydrophobicContact CE1-CG2 4.15Å
131V97.2Very high95.3Very high1 Ų118.8 Ų18.81%0.0069%0.085CC..EExtended strand (participates in β ladder)trans-119.4122.2178.5-178.10000108.6A91 A101 F111 V122 F124 V133 I140 Y141A91-V131 HydrophobicContact CB-CG1 4.21Å; A101-V131 HydrophobicContact CB-CG2 4.31Å; F111-V131 HydrophobicContact CE1-CG2 4.17Å; F111-V131 HydrophobicContact CZ-CB 4.37Å; F111-V131 HydrophobicContact CZ-CG2 4.35Å; V122-V131 HydrophobicContact CG2-CG1 3.39Å; F124-V131 HydrophobicContact CD1-CG2 3.73Å; F124-V131 HydrophobicContact CE1-CG2 3.52Å; F124-V131 HydrophobicContact CZ-CG2 4.34Å; V131-V133 HydrophobicContact CG1-CG2 4.05Å; V131-I140 WeakPolarHBondContact O-CA 3.43Å; V131-Y141 PolarHBondContact N-O 2.78Å; V131-Y141 PolarHBondContact O-N 3Å
132A97.6Very high95.3Very high0 Ų020.6 Ų20.60%09%0.094CC..EExtended strand (participates in β ladder)trans-90.5130.8170.300000109.7V122 K123 L125 V138 T139 I140 M160 L169V122-A132 WeakPolarHBondContact CA-O 3.33Å; K123-A132 PolarHBondContact N-O 2.82Å; K123-A132 PolarHBondContact O-N 3.17Å; L125-A132 HydrophobicContact CD2-CB 4.04Å; L125-A132 HydrophobicContact CG-CB 4.41Å; A132-V138 HydrophobicContact CB-CG1 4.42Å; A132-T139 CarbonylContact C-O 3.51Å; A132-T139 WeakPolarHBondContact CA-O 3.38Å; A132-I140 HydrophobicContact CB-CG1 4.36Å; A132-M160 HydrophobicContact CB-CE 4.2Å; A132-M160 HydrophobicContact CB-SD 4.42Å; A132-M160 WeakPolarHBondContact O-CE 3.41Å; A132-L169 HydrophobicContact CB-CD2 4.13Å
133V97.4Very high95.1Very high0 Ų023.2 Ų23.20%011%0.108CC..EExtended strand (participates in β ladder)trans-123.3134.2177.9-176.90000109.7I99 C119 V122 V131 E135 V138 T139 Y141I99-V133 HydrophobicContact CD1-CB 4.24Å; I99-V133 HydrophobicContact CD1-CG1 3.78Å; I99-V133 HydrophobicContact CD1-CG2 4.07Å; I99-V133 HydrophobicContact CG1-CG1 4.22Å; I99-V133 HydrophobicContact CG1-CG2 4.48Å; I99-V133 HydrophobicContact CG2-CG2 3.91Å; C119-V133 HydrophobicContact CB-CG1 4.05Å; V122-V133 HydrophobicContact CG2-CG2 4.1Å; V131-V133 HydrophobicContact CG1-CG2 4.05Å; V133-E135 HydrophobicContact CG1-CG 4.05Å; V133-E135 PolarHBondContact O-N 2.89Å; V133-V138 WeakPolarHBondContact O-CA 3.46Å; V133-T139 PolarHBondContact N-O 2.83Å; V133-T139 PolarHBondContact O-N 2.65Å; V133-T139 PolarHBondContact O-OG1 3.46Å; V133-Y141 HydrophobicContact CB-CD2 4.31Å; V133-Y141 HydrophobicContact CB-CE2 4.01Å; V133-Y141 HydrophobicContact CG2-CD2 3.86Å; V133-Y141 HydrophobicContact CG2-CE2 3.96Å
134A96.6Very high95Very high0 Ų029.1 Ų29.10%014%0.136CC..EExtended strand (participates in β ladder)trans-91.294.5176.900000110.1C119 R120 D121 I157 M160C119-A134 CarbonylContact C-O 3.25Å; C119-A134 WeakPolarHBondContact CA-O 3.4Å; R120-A134 HydrophobicContact CB-CB 4.49Å; R120-A134 PolarHBondContact N-O 2.92Å; D121-A134 HydrophobicContact CB-CB 4.27Å; D121-A134 PolarHBondContact O-N 2.9Å; A134-I157 HydrophobicContact CB-CB 4.32Å; A134-I157 HydrophobicContact CB-CG2 3.92Å; A134-M160 HydrophobicContact CB-CE 3.77Å; A134-M160 HydrophobicContact CB-CG 4.36Å; A134-M160 HydrophobicContact CB-SD 4.02Å
135E94.8Very high94.8Very high8 Ų829 Ų294%0.03714%0.137CC..SBendtrans-95.8-131.9175.1-55.4176.3-161.400111.1V115 N117 E118 R120 V133 Y137 T139 Y141V115-E135 WeakPolarHBondContact CG1-OE2 3.09Å; N117-E135 HydrophobicContact CB-CB 4.19Å; N117-E135 PolarHBondContact ND2-OE2 2.8Å; E118-E135 WeakPolarHBondContact O-CA 3.47Å; R120-E135 PolarHBondContact NH1-O 2.84Å; V133-E135 HydrophobicContact CG1-CG 4.05Å; V133-E135 PolarHBondContact O-N 2.89Å; E135-Y137 WeakPolarHBondContact CB-O 3.12Å; E135-Y137 PolarHBondContact N-O 3.4Å; E135-Y137 VanDerWaalsContact N-O 3.12Å; E135-T139 VanDerWaalsContact CD-OG1 3.26Å; E135-T139 PolarHBondContact OE1-OG1 2.9Å; E135-Y141 PolarHBondContact OE1-OH 3.31Å
136K93.5Very high94.8Very high107 Ų10733.2 Ų33.247%0.46516%0.159SC..SBendtrans-63-48.7158.6-176.6178-179179.80110.5N155 G156K136-N155 WeakPolarHBondContact O-CA 3.4Å; K136-N155 PolarHBondContact O-OD1 3.41Å; K136-G156 PolarHBondContact O-N 2.85Å
137Y96.2Very high95Very high65 Ų6537.4 Ų37.426%0.25518%0.179SC..EExtended strand (participates in β ladder)trans-113.9160.5171-53.9-64.4000109.2E135 T139 L154 N155E135-Y137 WeakPolarHBondContact CB-O 3.12Å; E135-Y137 PolarHBondContact N-O 3.4Å; E135-Y137 VanDerWaalsContact N-O 3.12Å; Y137-T139 PolarHBondContact O-N 2.82Å; Y137-L154 VanDerWaalsContact CA-O 3.29Å; Y137-L154 WeakPolarHBondContact CA-O 3.37Å; Y137-N155 HydrophobicContact CD1-CB 3.92Å; Y137-N155 HydrophobicContact CE1-CB 3.88Å
138V96.8Very high95.2Very high0 Ų038.3 Ų38.30%019%0.188CC..EExtended strand (participates in β ladder)trans-72.6117.5168.1173.60000109.2A132 V133 L151 L154 I157 M160 L169A132-V138 HydrophobicContact CB-CG1 4.42Å; V133-V138 WeakPolarHBondContact O-CA 3.46Å; V138-L151 HydrophobicContact CB-CB 4.42Å; V138-L151 HydrophobicContact CB-CD1 4.3Å; V138-L151 HydrophobicContact CG1-CD1 4.05Å; V138-L151 WeakPolarHBondContact O-CB 3.37Å; V138-L151 PolarHBondContact O-N 2.81Å; V138-L154 HydrophobicContact CB-CB 4.14Å; V138-L154 HydrophobicContact CB-CD1 4.2Å; V138-L154 HydrophobicContact CG2-CB 4.13Å; V138-L154 HydrophobicContact CG2-CD1 4.32Å; V138-L154 PolarHBondContact N-O 2.8Å; V138-L154 VanDerWaalsContact N-O 3.15Å; V138-I157 HydrophobicContact CB-CD1 4.49Å; V138-I157 HydrophobicContact CG2-CB 4.17Å; V138-I157 HydrophobicContact CG2-CD1 3.32Å; V138-I157 HydrophobicContact CG2-CG1 4.35Å; V138-I157 HydrophobicContact CG2-CG2 4.26Å; V138-M160 HydrophobicContact CB-SD 4.46Å; V138-M160 HydrophobicContact CG1-SD 3.89Å; V138-M160 HydrophobicContact CG2-SD 3.64Å; V138-L169 HydrophobicContact CG1-CD2 4.03Å
139T96.9Very high95.5Very high3 Ų342.7 Ų42.72%0.01821%0.208CC..EExtended strand (participates in β ladder)trans-106.7138.617645.70000108.8A132 V133 E135 Y137 Y141 H149 C150A132-T139 CarbonylContact C-O 3.51Å; A132-T139 WeakPolarHBondContact CA-O 3.38Å; V133-T139 PolarHBondContact N-O 2.83Å; V133-T139 PolarHBondContact O-N 2.65Å; V133-T139 PolarHBondContact O-OG1 3.46Å; E135-T139 VanDerWaalsContact CD-OG1 3.26Å; E135-T139 PolarHBondContact OE1-OG1 2.9Å; Y137-T139 PolarHBondContact O-N 2.82Å; T139-Y141 VanDerWaalsContact OG1-CE2 3.25Å; T139-Y141 WeakPolarHBondContact OG1-CE2 3.39Å; T139-H149 CarbonylContact C-O 3.53Å; T139-H149 VanDerWaalsContact CA-O 3.3Å; T139-H149 WeakPolarHBondContact CA-O 3.41Å; T139-C150 HydrophobicContact CG2-CB 4.34Å
140I96.9Very high95.7Very high10 Ų1044.9 Ų44.95%0.05122%0.223CC..EExtended strand (participates in β ladder)trans-111.4124.1175.3-57.8173000107.3L125 F130 V131 A132 V148 H149 L151L125-I140 HydrophobicContact CD1-CD1 4.07Å; L125-I140 HydrophobicContact CD1-CG1 4.43Å; L125-I140 HydrophobicContact CD1-CG2 3.91Å; F130-I140 HydrophobicContact CB-CG2 4.31Å; F130-I140 HydrophobicContact CD1-CG2 4.15Å; V131-I140 WeakPolarHBondContact O-CA 3.43Å; A132-I140 HydrophobicContact CB-CG1 4.36Å; I140-V148 PolarHBondContact O-N 3.15Å; I140-H149 HydrophobicContact CB-CB 4.26Å; I140-H149 HydrophobicContact CD1-CB 4.29Å; I140-H149 HydrophobicContact CG1-CB 4.48Å; I140-H149 PolarHBondContact N-O 3.29Å; I140-H149 PolarHBondContact O-N 2.94Å; I140-L151 HydrophobicContact CD1-CD1 4.35Å
141Y96.9Very high95.7Very high2 Ų244.1 Ų44.11%0.00822%0.221CC..EExtended strand (participates in β ladder)trans-105.2146179.7-65.8-83.4000110.9I99 V115 F130 V131 V133 E135 T139 G145 L146 E147I99-Y141 HydrophobicContact CD1-CE2 3.91Å; V115-Y141 WeakPolarHBondContact CG2-OH 3.42Å; F130-Y141 WeakPolarHBondContact CA-O 3.4Å; V131-Y141 PolarHBondContact N-O 2.78Å; V131-Y141 PolarHBondContact O-N 3Å; V133-Y141 HydrophobicContact CB-CD2 4.31Å; V133-Y141 HydrophobicContact CB-CE2 4.01Å; V133-Y141 HydrophobicContact CG2-CD2 3.86Å; V133-Y141 HydrophobicContact CG2-CE2 3.96Å; E135-Y141 PolarHBondContact OE1-OH 3.31Å; T139-Y141 VanDerWaalsContact OG1-CE2 3.25Å; T139-Y141 WeakPolarHBondContact OG1-CE2 3.39Å; Y141-G145 WeakPolarHBondContact CD1-O 3.49Å; Y141-L146 CarbonylContact C-O 3.59Å; Y141-L146 WeakPolarHBondContact CA-O 3.49Å; Y141-E147 HydrophobicContact CD1-CG 3.87Å; Y141-E147 HydrophobicContact CE1-CB 4.37Å; Y141-E147 HydrophobicContact CE1-CG 3.26Å
142D95.7Very high95.5Very high42 Ų4251.9 Ų51.923%0.22526%0.255CS..  trans-82.8175.7167.9-164.110.6000111.3F111 T129 F130 Q144 G145 L146 V148F111-D142 WeakPolarHBondContact CE1-O 3.45Å; T129-D142 CarbonylContact O-C 3.55Å; F130-D142 HydrophobicContact CE1-CB 4.48Å; D142-Q144 PolarHBondContact O-N 3.23Å; D142-G145 WeakPolarHBondContact O-CA 3.47Å; D142-G145 PolarHBondContact O-N 3.49Å; D142-L146 PolarHBondContact N-O 3.41Å; D142-V148 HydrophobicContact CB-CG2 3.84Å
143N93.3Very high95.3Very high55 Ų5559.7 Ų59.729%0.29429%0.289SS..THydrogen-bonded Turntrans-63.3-19.7179.160.59.7000114.4L110 F111 T129 G145L110-N143 CarbonylContact C-O 3.31Å; L110-N143 VanDerWaalsContact C-O 3.31Å; F111-N143 WeakPolarHBondContact CD1-O 3.44Å; T129-N143 HydrophobicContact CG2-CB 4.13Å; T129-N143 PolarHBondContact O-N 3.35Å; N143-G145 VanDerWaalsContact C-N 3.32Å
144Q94.6Very high95.2Very high138 Ų13859.7 Ų59.765%0.64529%0.289SS*.THydrogen-bonded Turntrans-87.9-5172-65.4178.55.500112.3D142 L146D142-Q144 PolarHBondContact O-N 3.23Å; Q144-L146 HydrophobicContact CB-CG 4.35Å
145G93.2Very high95.1Very high6 Ų663.5 Ų63.56%0.06231%0.309CS..  trans79.714.1-174.200000113.9I113 Y141 D142 N143I113-G145 WeakPolarHBondContact CD1-O 3.49Å; Y141-G145 WeakPolarHBondContact CD1-O 3.49Å; D142-G145 WeakPolarHBondContact O-CA 3.47Å; D142-G145 PolarHBondContact O-N 3.49Å; N143-G145 VanDerWaalsContact C-N 3.32Å
146L96.2Very high95Very high106 Ų10663.4 Ų63.456%0.55531%0.311SS*.  trans-73.5134.6172.6-64174.7000110.2Y141 D142 Q144 V148Y141-L146 CarbonylContact C-O 3.59Å; Y141-L146 WeakPolarHBondContact CA-O 3.49Å; D142-L146 PolarHBondContact N-O 3.41Å; Q144-L146 HydrophobicContact CB-CG 4.35Å; L146-V148 PolarHBondContact O-N 2.88Å
147E95.4Very high95.2Very high120 Ų12058.4 Ų58.456%0.56129%0.289SS*.EExtended strand (participates in β ladder)trans-66.6113.8171-69.8-179.9-159.200109.9Y141Y141-E147 HydrophobicContact CD1-CG 3.87Å; Y141-E147 HydrophobicContact CE1-CB 4.37Å; Y141-E147 HydrophobicContact CE1-CG 3.26Å
148V95.4Very high95.1Very high64 Ų6456 Ų5639%0.38828%0.28SS..EExtended strand (participates in β ladder)trans-90.1-44.3177-177.20000110.3F130 I140 D142 L146F130-V148 HydrophobicContact CE1-CG2 4.15Å; I140-V148 PolarHBondContact O-N 3.15Å; D142-V148 HydrophobicContact CB-CG2 3.84Å; L146-V148 PolarHBondContact O-N 2.88Å
149H95.2Very high95.1Very high107 Ų10758.4 Ų58.450%0.49529%0.289SS..EExtended strand (participates in β ladder)trans-137.8137-178.5-66.7-49000111.8T139 I140 L151T139-H149 CarbonylContact C-O 3.53Å; T139-H149 VanDerWaalsContact CA-O 3.3Å; T139-H149 WeakPolarHBondContact CA-O 3.41Å; I140-H149 HydrophobicContact CB-CB 4.26Å; I140-H149 HydrophobicContact CD1-CB 4.29Å; I140-H149 HydrophobicContact CG1-CB 4.48Å; I140-H149 PolarHBondContact N-O 3.29Å; I140-H149 PolarHBondContact O-N 2.94Å; H149-L151 HydrophobicContact CB-CD2 4.49Å
150C94.8Very high95.1Very high60 Ų6058.3 Ų58.341%0.40529%0.289SS..EExtended strand (participates in β ladder)trans-117.4106.3168.5-177.50000109.1T139 K152T139-C150 HydrophobicContact CG2-CB 4.34Å; C150-K152 PolarHBondContact O-N 2.83Å; C150-K152 VanDerWaalsContact O-N 3.13Å
151L95.2Very high95.1Very high33 Ų3359.1 Ų59.117%0.17329%0.292CS..EExtended strand (participates in β ladder)trans-87.483-172.2-58.8175.7000111V138 I140 H149 K153 L154 L181V138-L151 HydrophobicContact CB-CB 4.42Å; V138-L151 HydrophobicContact CB-CD1 4.3Å; V138-L151 HydrophobicContact CG1-CD1 4.05Å; V138-L151 WeakPolarHBondContact O-CB 3.37Å; V138-L151 PolarHBondContact O-N 2.81Å; I140-L151 HydrophobicContact CD1-CD1 4.35Å; H149-L151 HydrophobicContact CB-CD2 4.49Å; L151-K153 PolarHBondContact O-N 3.1Å; L151-L154 HydrophobicContact CB-CB 4.04Å; L151-L154 HydrophobicContact CB-CD1 4.17Å; L151-L154 HydrophobicContact CB-CG 4.21Å; L151-L154 HydrophobicContact CD1-CD1 3.7Å; L151-L154 WeakPolarHBondContact O-CB 3.49Å; L151-L154 PolarHBondContact O-N 2.93Å; L151-L181 HydrophobicContact CD1-CD2 3.36Å
152K93.4Very high95.1Very high163 Ų16359.9 Ų59.971%0.70930%0.296SS*.EExtended strand (participates in β ladder)trans-57-26.9-177-63.2-176.5-178.5179.40115.2C150 L154C150-K152 PolarHBondContact O-N 2.83Å; C150-K152 VanDerWaalsContact O-N 3.13Å; K152-L154 VanDerWaalsContact C-N 3.26Å; K152-L154 PolarHBondContact O-N 3.28Å
153K93Very high95.1Very high164 Ų16457.9 Ų57.971%0.71329%0.285SS*.EExtended strand (participates in β ladder)trans-69.8-26.3176.7-68-175.1-179.2178.10112.6L151 N155 I188L151-K153 PolarHBondContact O-N 3.1Å; K153-N155 PolarHBondContact O-N 3.04Å; K153-I188 HydrophobicContact CB-CD1 3.66Å; K153-I188 HydrophobicContact CD-CD1 3.63Å; K153-I188 HydrophobicContact CG-CD1 4.29Å
154L94.7Very high95.2Very high1 Ų156.1 Ų56.11%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-96.273-177.3-71-166.3000108.8Y137 V138 L151 K152 I157 Y179 L181 I188Y137-L154 VanDerWaalsContact CA-O 3.29Å; Y137-L154 WeakPolarHBondContact CA-O 3.37Å; V138-L154 HydrophobicContact CB-CB 4.14Å; V138-L154 HydrophobicContact CB-CD1 4.2Å; V138-L154 HydrophobicContact CG2-CB 4.13Å; V138-L154 HydrophobicContact CG2-CD1 4.32Å; V138-L154 PolarHBondContact N-O 2.8Å; V138-L154 VanDerWaalsContact N-O 3.15Å; L151-L154 HydrophobicContact CB-CB 4.04Å; L151-L154 HydrophobicContact CB-CD1 4.17Å; L151-L154 HydrophobicContact CB-CG 4.21Å; L151-L154 HydrophobicContact CD1-CD1 3.7Å; L151-L154 WeakPolarHBondContact O-CB 3.49Å; L151-L154 PolarHBondContact O-N 2.93Å; K152-L154 VanDerWaalsContact C-N 3.26Å; K152-L154 PolarHBondContact O-N 3.28Å; L154-I157 HydrophobicContact CB-CD1 3.38Å; L154-I157 HydrophobicContact CD1-CD1 4.27Å; L154-I157 HydrophobicContact CD2-CD1 4.12Å; L154-I157 HydrophobicContact CG-CD1 4.11Å; L154-Y179 HydrophobicContact CD2-CD1 4.07Å; L154-Y179 HydrophobicContact CD2-CD2 3.69Å; L154-Y179 HydrophobicContact CD2-CE2 4.38Å; L154-Y179 HydrophobicContact CD2-CG 3.5Å; L154-Y179 VanDerWaalsContact CD2-CG 3.5Å; L154-L181 HydrophobicContact CD1-CD2 4.33Å; L154-I188 HydrophobicContact CD2-CD1 4.19Å
155N94.1Very high95.3Very high79 Ų7954.3 Ų54.342%0.42226%0.264SS..EExtended strand (participates in β ladder)trans-97.2143.4-179.1-174.621.6000111.3K136 Y137 K153 I157K136-N155 WeakPolarHBondContact O-CA 3.4Å; K136-N155 PolarHBondContact O-OD1 3.41Å; Y137-N155 HydrophobicContact CD1-CB 3.92Å; Y137-N155 HydrophobicContact CE1-CB 3.88Å; K153-N155 PolarHBondContact O-N 3.04Å; N155-I157 PolarHBondContact O-N 3.49Å
156G93.7Very high95.4Very high7 Ų754.8 Ų54.87%0.07227%0.265CS..SBendtrans6833.8170.600000114.2K136 D174K136-G156 PolarHBondContact O-N 2.85Å; G156-D174 PolarHBondContact O-N 3.33Å
157I96.5Very high95.4Very high2 Ų249.9 Ų49.91%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-77.5137-177.6-75.6154.4000111.5R120 A134 V138 L154 N155 R159 M160 T172 A173R120-I157 WeakPolarHBondContact CD-O 3.4Å; R120-I157 PolarHBondContact NH1-O 3.36Å; A134-I157 HydrophobicContact CB-CB 4.32Å; A134-I157 HydrophobicContact CB-CG2 3.92Å; V138-I157 HydrophobicContact CB-CD1 4.49Å; V138-I157 HydrophobicContact CG2-CB 4.17Å; V138-I157 HydrophobicContact CG2-CD1 3.32Å; V138-I157 HydrophobicContact CG2-CG1 4.35Å; V138-I157 HydrophobicContact CG2-CG2 4.26Å; L154-I157 HydrophobicContact CB-CD1 3.38Å; L154-I157 HydrophobicContact CD1-CD1 4.27Å; L154-I157 HydrophobicContact CD2-CD1 4.12Å; L154-I157 HydrophobicContact CG-CD1 4.11Å; N155-I157 PolarHBondContact O-N 3.49Å; I157-R159 WeakPolarHBondContact CG2-O 3.49Å; I157-M160 HydrophobicContact CG2-CG 3.67Å; I157-M160 HydrophobicContact CG2-SD 4.38Å; I157-T172 CarbonylContact C-O 3.54Å; I157-T172 VanDerWaalsContact CA-O 3.29Å; I157-T172 WeakPolarHBondContact CA-O 3.34Å; I157-T172 WeakPolarHBondContact CG2-O 3.46Å; I157-A173 HydrophobicContact CG1-CB 4.32Å
158L95.2Very high95.5Very high14 Ų1444.2 Ų44.27%0.07321%0.213CC..EExtended strand (participates in β ladder)trans-103.5-41.2-177-61177.4000112.5T172 D174 R198L158-T172 PolarHBondContact N-O 3.03Å; L158-D174 HydrophobicContact CD1-CB 4.1Å; L158-D174 HydrophobicContact CD2-CB 4.39Å; L158-D174 HydrophobicContact CG-CB 4.21Å; L158-R198 HydrophobicContact CD1-CG 3.4Å; L158-R198 VanDerWaalsContact CD1-CG 3.4Å; L158-R198 VanDerWaalsContact CD1-NE 3.3Å
159R96Very high95.6Very high51 Ų5141.1 Ų41.119%0.19219%0.194CC..EExtended strand (participates in β ladder)trans-138.1149.3177.4-68.3-63.1176.3101.11.1111.6D121 I157 T172 G200 M202D121-R159 VanDerWaalsContact OD2-CA 3.29Å; D121-R159 WeakPolarHBondContact OD2-CA 3.39Å; D121-R159 WeakPolarHBondContact OD2-CD 3.5Å; I157-R159 WeakPolarHBondContact CG2-O 3.49Å; R159-T172 PolarHBondContact N-OG1 3.34Å; R159-T172 PolarHBondContact O-N 2.83Å; R159-T172 PolarHBondContact O-OG1 3.47Å; R159-G200 WeakPolarHBondContact CG-O 3.37Å; R159-M202 HydrophobicContact CB-CB 4.21Å; R159-M202 HydrophobicContact CB-CE 4.08Å; R159-M202 WeakPolarHBondContact O-CE 3.24Å
160M97Very high95.7Very high0 Ų036 Ų360%017%0.171CC..EExtended strand (participates in β ladder)trans-130.5145.6177-63.3-172.3-61.300110.6D121 K123 A132 A134 V138 I157 L169 V170 M202D121-M160 HydrophobicContact CB-CE 4.48Å; D121-M160 PolarHBondContact OD2-N 2.9Å; K123-M160 WeakPolarHBondContact CE-O 3.3Å; K123-M160 HydrophobicContact CG-CB 3.97Å; K123-M160 WeakPolarHBondContact CG-O 3.11Å; A132-M160 HydrophobicContact CB-CE 4.2Å; A132-M160 HydrophobicContact CB-SD 4.42Å; A132-M160 WeakPolarHBondContact O-CE 3.41Å; A134-M160 HydrophobicContact CB-CE 3.77Å; A134-M160 HydrophobicContact CB-CG 4.36Å; A134-M160 HydrophobicContact CB-SD 4.02Å; V138-M160 HydrophobicContact CB-SD 4.46Å; V138-M160 HydrophobicContact CG1-SD 3.89Å; V138-M160 HydrophobicContact CG2-SD 3.64Å; I157-M160 HydrophobicContact CG2-CG 3.67Å; I157-M160 HydrophobicContact CG2-SD 4.38Å; M160-L169 HydrophobicContact CB-CD1 4.25Å; M160-L169 HydrophobicContact SD-CD2 4.42Å; M160-V170 CarbonylContact C-O 3.55Å; M160-V170 VanDerWaalsContact CA-O 3.28Å; M160-V170 WeakPolarHBondContact CA-O 3.33Å; M160-M202 VanDerWaalsContact C-CE 3.41Å
161E96.9Very high95.8Very high28 Ų2833.2 Ų33.213%0.13115%0.151CC..EExtended strand (participates in β ladder)trans-140.2137.1170.3-80.3-62.1163.200108.6K123 V170 M202 R349K123-E161 VanDerWaalsContact CE-CD 3.46Å; K123-E161 WeakPolarHBondContact CE-OE1 3.49Å; K123-E161 WeakPolarHBondContact CE-OE2 3.48Å; K123-E161 IonicContact NZ-OE1 3.43Å; K123-E161 PolarHBondContact NZ-OE1 2.85Å; K123-E161 IonicContact NZ-OE2 3.72Å; K123-E161 PolarHBondContact NZ-OE2 2.92Å; E161-V170 PolarHBondContact N-O 3.19Å; E161-V170 PolarHBondContact O-N 3.38Å; E161-M202 HydrophobicContact CB-CE 3.87Å; E161-M202 HydrophobicContact CG-CE 3.9Å; E161-M202 HydrophobicContact CG-CG 4.37Å; E161-R349 IonicContact OE1-NH2 2.76Å; E161-R349 PolarHBondContact OE1-NH2 3.4Å
162F97.3Very high95.8Very high17 Ų1731.6 Ų31.68%0.07514%0.143CC..EExtended strand (participates in β ladder)trans-105.7123.6-179.4-177.7-107.9000110L125 H126 P164 L168 L169 C183 Q204L125-F162 HydrophobicContact CB-CD2 4.5Å; L125-F162 HydrophobicContact CB-CE2 4.29Å; L125-F162 HydrophobicContact CB-CZ 4.33Å; L125-F162 HydrophobicContact CD2-CD2 3.56Å; L125-F162 HydrophobicContact CD2-CE2 3.92Å; L125-F162 HydrophobicContact CD2-CG 4.13Å; H126-F162 HydrophobicContact CB-CE1 3.98Å; H126-F162 HydrophobicContact CB-CZ 3.87Å; F162-P164 HydrophobicContact CD1-CB 4.24Å; F162-P164 HydrophobicContact CE1-CB 4.04Å; F162-P164 VanDerWaalsContact O-CD 3.23Å; F162-P164 WeakPolarHBondContact O-CD 3.42Å; F162-L168 WeakPolarHBondContact CD2-O 3.39Å; F162-L169 HydrophobicContact CB-CD1 4.42Å; F162-L169 HydrophobicContact CD2-CB 4.31Å; F162-L169 HydrophobicContact CD2-CD1 4.47Å; F162-C183 HydrophobicContact CE2-CB 4.24Å; F162-Q204 PolarHBondContact O-OE1 2.95Å
163L97Very high95.9Very high0 Ų023.9 Ų23.90%011%0.109CC..EExtended strand (participates in β ladder)trans-90101175.7-60.9-178.3000109.5Y165 H166 F167 L168 V170 Y180 Q204 I211 I409L163-Y165 PolarHBondContact O-N 3.43Å; L163-H166 HydrophobicContact CB-CB 4.23Å; L163-H166 PolarHBondContact O-N 2.85Å; L163-F167 PolarHBondContact O-N 3.47Å; L163-L168 HydrophobicContact CB-CB 4.15Å; L163-L168 HydrophobicContact CD1-CB 4.14Å; L163-L168 HydrophobicContact CD1-CD1 4.12Å; L163-L168 HydrophobicContact CG-CB 4.45Å; L163-L168 PolarHBondContact N-O 3.42Å; L163-L168 PolarHBondContact O-N 3.37Å; L163-V170 HydrophobicContact CD1-CG2 3.97Å; L163-V170 HydrophobicContact CG-CG2 4.09Å; L163-Y180 HydrophobicContact CD1-CE1 4.41Å; L163-Q204 HydrophobicContact CD2-CB 4.21Å; L163-Q204 HydrophobicContact CD2-CG 3.39Å; L163-Q204 VanDerWaalsContact CD2-NE2 3.3Å; L163-I211 HydrophobicContact CD2-CD1 4.03Å; L163-I409 HydrophobicContact CD1-CD1 3.96Å
164P94.8Very high95.9Very high19 Ų1920 Ų2012%0.12310%0.096CC..THydrogen-bonded Turntrans-73.4-31.1-164.629.8-37.3000114.1R85 F162 H166R85-P164 VanDerWaalsContact NH1-CB 3.27Å; F162-P164 HydrophobicContact CD1-CB 4.24Å; F162-P164 HydrophobicContact CE1-CB 4.04Å; F162-P164 VanDerWaalsContact O-CD 3.23Å; F162-P164 WeakPolarHBondContact O-CD 3.42Å; P164-H166 VanDerWaalsContact C-N 3.35Å
165Y95.3Very high95.8Very high99 Ų9924.1 Ų24.139%0.38812%0.119SC..THydrogen-bonded Turntrans-76.8-23.9178.5-65-67.3000113.4R85 L163 E382 I404R85-Y165 PolarHBondContact NH2-OH 2.89Å; L163-Y165 PolarHBondContact O-N 3.43Å; Y165-E382 PolarHBondContact OH-OE1 2.98Å; Y165-I404 PolarHBondContact O-N 2.86Å
166H95.3Very high95.7Very high17 Ų1720.5 Ų20.58%0.07910%0.1CC..THydrogen-bonded Turntrans-100.2-13-178.4-58.2-71.9000112.8L163 P164 L168 K403 I404 I409L163-H166 HydrophobicContact CB-CB 4.23Å; L163-H166 PolarHBondContact O-N 2.85Å; P164-H166 VanDerWaalsContact C-N 3.35Å; H166-L168 HydrophobicContact CB-CB 4.39Å; H166-L168 HydrophobicContact CB-CD1 3.72Å; H166-L168 HydrophobicContact CB-CG 3.79Å; H166-L168 PolarHBondContact O-N 3.42Å; H166-K403 WeakPolarHBondContact O-CE 3.42Å; H166-I404 WeakPolarHBondContact CA-O 3.39Å; H166-I404 VanDerWaalsContact CE1-CG2 3.48Å; H166-I404 WeakPolarHBondContact CE1-CG2 3.35Å; H166-I404 PolarHBondContact ND1-O 3.14Å; H166-I409 VanDerWaalsContact CE1-CG1 3.47Å; H166-I409 WeakPolarHBondContact CE1-CG1 3.44Å; H166-I409 WeakPolarHBondContact NE2-CG1 2.99Å
167F96.7Very high95.8Very high2 Ų223.5 Ų23.51%0.00911%0.111CC..THydrogen-bonded Turntrans56.438.7-170.2-74-113.4000112.5H126 L163 C183 R399 L400 K403H126-F167 HydrophobicContact CB-CD1 3.94Å; H126-F167 HydrophobicContact CB-CE1 3.48Å; H126-F167 VanDerWaalsContact CB-CE1 3.48Å; H126-F167 HydrophobicContact CB-CZ 3.97Å; H126-F167 AromaticContact CD2-CE1 3.52Å; H126-F167 AromaticContact CG-CD1 3.89Å; H126-F167 AromaticContact CG-CE1 3.41Å; H126-F167 VanDerWaalsContact CG-CE1 3.41Å; L163-F167 PolarHBondContact O-N 3.47Å; F167-C183 PolarHBondContact O-N 2.9Å; F167-R399 HydrophobicContact CE2-CB 3.9Å; F167-R399 WeakPolarHBondContact CE2-O 3.46Å; F167-R399 HydrophobicContact CZ-CB 3.77Å; F167-L400 HydrophobicContact CZ-CB 4.36Å; F167-K403 HydrophobicContact CB-CD 4.26Å; F167-K403 HydrophobicContact CD2-CB 4.31Å; F167-K403 HydrophobicContact CD2-CD 4.37Å; F167-K403 HydrophobicContact CD2-CG 4.03Å; F167-K403 HydrophobicContact CG-CD 4.5Å
168L97.3Very high95.8Very high1 Ų123.4 Ų23.41%0.00511%0.111CC..EExtended strand (participates in β ladder)trans-107.2125.3179.2-61169.6000110.5F162 L163 H166 Y180 L181 D182 V189 I409F162-L168 WeakPolarHBondContact CD2-O 3.39Å; L163-L168 HydrophobicContact CB-CB 4.15Å; L163-L168 HydrophobicContact CD1-CB 4.14Å; L163-L168 HydrophobicContact CD1-CD1 4.12Å; L163-L168 HydrophobicContact CG-CB 4.45Å; L163-L168 PolarHBondContact N-O 3.42Å; L163-L168 PolarHBondContact O-N 3.37Å; H166-L168 HydrophobicContact CB-CB 4.39Å; H166-L168 HydrophobicContact CB-CD1 3.72Å; H166-L168 HydrophobicContact CB-CG 3.79Å; H166-L168 PolarHBondContact O-N 3.42Å; L168-Y180 HydrophobicContact CD1-CD1 4.24Å; L168-L181 CarbonylContact C-O 3.51Å; L168-L181 VanDerWaalsContact CA-O 3.23Å; L168-L181 WeakPolarHBondContact CA-O 3.39Å; L168-D182 HydrophobicContact CD2-CB 4.08Å; L168-V189 HydrophobicContact CD2-CG2 4Å; L168-I409 HydrophobicContact CD1-CD1 3.92Å
169L97.7Very high95.8Very high0 Ų024.4 Ų24.40%011%0.114CC..EExtended strand (participates in β ladder)trans-89.1117162.8-178.667.1000108.5L125 A132 V138 M160 F162 L181 C183L125-L169 HydrophobicContact CD2-CD1 4.12Å; A132-L169 HydrophobicContact CB-CD2 4.13Å; V138-L169 HydrophobicContact CG1-CD2 4.03Å; M160-L169 HydrophobicContact CB-CD1 4.25Å; M160-L169 HydrophobicContact SD-CD2 4.42Å; F162-L169 HydrophobicContact CB-CD1 4.42Å; F162-L169 HydrophobicContact CD2-CB 4.31Å; F162-L169 HydrophobicContact CD2-CD1 4.47Å; L169-L181 HydrophobicContact CB-CB 4.36Å; L169-L181 HydrophobicContact CB-CD2 4.38Å; L169-L181 HydrophobicContact CD2-CD2 4.28Å; L169-L181 PolarHBondContact N-O 3.46Å; L169-L181 PolarHBondContact O-N 3.05Å; L169-C183 VanDerWaalsContact CB-SG 3.56Å
170V97.5Very high95.9Very high0 Ų022 Ų220%010%0.104CC..EExtended strand (participates in β ladder)trans-96.2130.4174.3-174.70000108.4M160 E161 L163 L178 Y179 Y180 M202 I211M160-V170 CarbonylContact C-O 3.55Å; M160-V170 VanDerWaalsContact CA-O 3.28Å; M160-V170 WeakPolarHBondContact CA-O 3.33Å; E161-V170 PolarHBondContact N-O 3.19Å; E161-V170 PolarHBondContact O-N 3.38Å; L163-V170 HydrophobicContact CD1-CG2 3.97Å; L163-V170 HydrophobicContact CG-CG2 4.09Å; V170-L178 HydrophobicContact CG1-CD1 3.51Å; V170-L178 HydrophobicContact CG1-CG 4.21Å; V170-Y179 WeakPolarHBondContact CA-O 3.39Å; V170-Y180 HydrophobicContact CG1-CE1 4.31Å; V170-Y180 HydrophobicContact CG2-CD1 3.53Å; V170-Y180 HydrophobicContact CG2-CE1 3.5Å; V170-Y180 VanDerWaalsContact CG2-CE1 3.5Å; V170-Y180 HydrophobicContact CG2-CG 4.35Å; V170-M202 HydrophobicContact CB-SD 4.44Å; V170-M202 HydrophobicContact CG1-CE 4.47Å; V170-M202 HydrophobicContact CG1-SD 3.73Å; V170-I211 HydrophobicContact CB-CD1 4.11Å; V170-I211 HydrophobicContact CB-CG1 4.37Å; V170-I211 HydrophobicContact CG1-CD1 4.13Å; V170-I211 HydrophobicContact CG1-CG1 3.97Å; V170-I211 HydrophobicContact CG1-CG2 4.26Å; V170-I211 HydrophobicContact CG2-CD1 3.85Å; V170-I211 HydrophobicContact CG2-CG1 3.98Å
171S97Very high95.9Very high0 Ų022.2 Ų22.20%011%0.106CC..EExtended strand (participates in β ladder)trans-134.3133.6-179.759.30000111.5Y179S171-Y179 PolarHBondContact N-O 3.23Å; S171-Y179 PolarHBondContact O-N 3.35Å
172T96.2Very high95.9Very high0 Ų021.3 Ų21.30%010%0.102CC..EExtended strand (participates in β ladder)trans-100.4125.6174.256.70000110.7I157 L158 R159 L178 L199 M202 T213I157-T172 CarbonylContact C-O 3.54Å; I157-T172 VanDerWaalsContact CA-O 3.29Å; I157-T172 WeakPolarHBondContact CA-O 3.34Å; I157-T172 WeakPolarHBondContact CG2-O 3.46Å; L158-T172 PolarHBondContact N-O 3.03Å; R159-T172 PolarHBondContact N-OG1 3.34Å; R159-T172 PolarHBondContact O-N 2.83Å; R159-T172 PolarHBondContact O-OG1 3.47Å; T172-L178 HydrophobicContact CG2-CD1 3.55Å; T172-L199 WeakPolarHBondContact CB-O 3.38Å; T172-L199 HydrophobicContact CG2-CB 4.02Å; T172-L199 HydrophobicContact CG2-CD1 4.15Å; T172-L199 PolarHBondContact OG1-O 2.84Å; T172-M202 HydrophobicContact CG2-CB 4.2Å; T172-M202 HydrophobicContact CG2-CE 4.18Å; T172-M202 HydrophobicContact CG2-CG 4.36Å; T172-M202 HydrophobicContact CG2-SD 3.56Å; T172-M202 VanDerWaalsContact CG2-SD 3.56Å; T172-T213 HydrophobicContact CG2-CG2 4.4Å
173A94.6Very high95.8Very high0 Ų021.9 Ų21.90%011%0.108CC..EExtended strand (participates in β ladder)trans-93.3155.7176.200000112I157 N175 G176 F177 Y179I157-A173 HydrophobicContact CG1-CB 4.32Å; A173-N175 WeakPolarHBondContact CB-OD1 3.41Å; A173-N175 PolarHBondContact O-N 2.79Å; A173-G176 PolarHBondContact O-N 3.5Å; A173-G176 VanDerWaalsContact O-N 3.13Å; A173-F177 PolarHBondContact N-O 3.35Å; A173-Y179 HydrophobicContact CB-CD2 4.47Å; A173-Y179 HydrophobicContact CB-CE2 3.89Å
174D93.8Very high95.7Very high82 Ų8224.1 Ų24.144%0.43912%0.124SC..THydrogen-bonded Turntrans-60.1-30.117663.8-11.6000113.8G156 L158 G176 R198G156-D174 PolarHBondContact O-N 3.33Å; L158-D174 HydrophobicContact CD1-CB 4.1Å; L158-D174 HydrophobicContact CD2-CB 4.39Å; L158-D174 HydrophobicContact CG-CB 4.21Å; D174-G176 PolarHBondContact O-N 2.81Å; D174-R198 WeakPolarHBondContact O-CA 3.37Å
175N91.8Very high95.6Very high88 Ų8828.7 Ų28.747%0.47115%0.146SC..THydrogen-bonded Turntrans-75.11.7175.867.61.3000114.4A173 F177A173-N175 WeakPolarHBondContact CB-OD1 3.41Å; A173-N175 PolarHBondContact O-N 2.79Å; N175-F177 HydrophobicContact CB-CD2 4.32Å; N175-F177 VanDerWaalsContact CG-CD2 3.45Å; N175-F177 WeakPolarHBondContact ND2-CD2 3.25Å; N175-F177 WeakPolarHBondContact OD1-CB 3.46Å; N175-F177 VanDerWaalsContact OD1-CD2 3.3Å; N175-F177 WeakPolarHBondContact OD1-CD2 3.25Å; N175-F177 PolarHBondContact OD1-N 2.85Å; N175-F177 VanDerWaalsContact OD1-N 3.16Å
176G92.3Very high95.5Very high3 Ų326.4 Ų26.43%0.03115%0.152CC..SBendtrans84.812.7176.700000114.9A173 D174 T194 G197A173-G176 PolarHBondContact O-N 3.5Å; A173-G176 VanDerWaalsContact O-N 3.13Å; D174-G176 PolarHBondContact O-N 2.81Å; G176-T194 WeakPolarHBondContact O-CB 3.34Å; G176-T194 PolarHBondContact O-N 3.12Å; G176-T194 PolarHBondContact O-OG1 3.21Å; G176-G197 WeakPolarHBondContact CA-O 3.37Å
177F95.1Very high95.5Very high70 Ų7029 Ų2931%0.30717%0.169SC..EExtended strand (participates in β ladder)trans-87.1141.6170.8-75.7-102.3000111.8A173 N175 Y179 P193A173-F177 PolarHBondContact N-O 3.35Å; N175-F177 HydrophobicContact CB-CD2 4.32Å; N175-F177 VanDerWaalsContact CG-CD2 3.45Å; N175-F177 WeakPolarHBondContact ND2-CD2 3.25Å; N175-F177 WeakPolarHBondContact OD1-CB 3.46Å; N175-F177 VanDerWaalsContact OD1-CD2 3.3Å; N175-F177 WeakPolarHBondContact OD1-CD2 3.25Å; N175-F177 PolarHBondContact OD1-N 2.85Å; N175-F177 VanDerWaalsContact OD1-N 3.16Å; F177-Y179 HydrophobicContact CB-CD2 4.34Å; F177-Y179 HydrophobicContact CB-CE1 4.46Å; F177-Y179 HydrophobicContact CB-CE2 3.63Å; F177-P193 HydrophobicContact CD1-CB 4.29Å; F177-P193 HydrophobicContact CE1-CB 3.92Å; F177-P193 HydrophobicContact CZ-CB 4.2Å
178L96.2Very high95.5Very high0 Ų031.3 Ų31.30%018%0.181CC..EExtended strand (participates in β ladder)trans-108.2119.6169.3-176.669.8000108.5V170 T172 Y180 S191 I192 T194 M202 I211 W223V170-L178 HydrophobicContact CG1-CD1 3.51Å; V170-L178 HydrophobicContact CG1-CG 4.21Å; T172-L178 HydrophobicContact CG2-CD1 3.55Å; L178-Y180 HydrophobicContact CD2-CE2 3.6Å; L178-Y180 HydrophobicContact CG-CD2 4.47Å; L178-Y180 HydrophobicContact CG-CE2 3.84Å; L178-S191 WeakPolarHBondContact O-CA 3.16Å; L178-I192 HydrophobicContact CB-CB 4.37Å; L178-I192 PolarHBondContact N-O 2.74Å; L178-I192 PolarHBondContact O-N 3.1Å; L178-T194 HydrophobicContact CB-CG2 4.27Å; L178-M202 HydrophobicContact CD1-SD 4.11Å; L178-I211 HydrophobicContact CD1-CG2 4.39Å; L178-I211 HydrophobicContact CD2-CG2 4.48Å; L178-W223 HydrophobicContact CD2-CB 3.67Å; L178-W223 HydrophobicContact CD2-CD2 4.3Å; L178-W223 HydrophobicContact CD2-CG 3.68Å
179Y96.9Very high95.4Very high35 Ų3533 Ų3314%0.13719%0.191CC..EExtended strand (participates in β ladder)trans-107.8137.2178.4-59.6-83000110.7L154 V170 S171 A173 F177 I188L154-Y179 HydrophobicContact CD2-CD1 4.07Å; L154-Y179 HydrophobicContact CD2-CD2 3.69Å; L154-Y179 HydrophobicContact CD2-CE2 4.38Å; L154-Y179 HydrophobicContact CD2-CG 3.5Å; L154-Y179 VanDerWaalsContact CD2-CG 3.5Å; V170-Y179 WeakPolarHBondContact CA-O 3.39Å; S171-Y179 PolarHBondContact N-O 3.23Å; S171-Y179 PolarHBondContact O-N 3.35Å; A173-Y179 HydrophobicContact CB-CD2 4.47Å; A173-Y179 HydrophobicContact CB-CE2 3.89Å; F177-Y179 HydrophobicContact CB-CD2 4.34Å; F177-Y179 HydrophobicContact CB-CE1 4.46Å; F177-Y179 HydrophobicContact CB-CE2 3.63Å; Y179-I188 HydrophobicContact CD1-CG2 4.32Å
180Y97.6Very high95.3Very high0 Ų034.4 Ų34.40%020%0.2CC..EExtended strand (participates in β ladder)trans-109.8111.7167.9-70.3-101.1000108.3L163 L168 V170 L178 I188 V189 T190 I192 I211 P225L163-Y180 HydrophobicContact CD1-CE1 4.41Å; L168-Y180 HydrophobicContact CD1-CD1 4.24Å; V170-Y180 HydrophobicContact CG1-CE1 4.31Å; V170-Y180 HydrophobicContact CG2-CD1 3.53Å; V170-Y180 HydrophobicContact CG2-CE1 3.5Å; V170-Y180 VanDerWaalsContact CG2-CE1 3.5Å; V170-Y180 HydrophobicContact CG2-CG 4.35Å; L178-Y180 HydrophobicContact CD2-CE2 3.6Å; L178-Y180 HydrophobicContact CG-CD2 4.47Å; L178-Y180 HydrophobicContact CG-CE2 3.84Å; Y180-I188 CarbonylContact O-C 3.59Å; Y180-I188 WeakPolarHBondContact O-CA 3.33Å; Y180-V189 PolarHBondContact O-N 2.61Å; Y180-T190 VanDerWaalsContact CD2-OG1 3.3Å; Y180-T190 WeakPolarHBondContact CD2-OG1 3.31Å; Y180-T190 PolarHBondContact N-O 3.42Å; Y180-I192 HydrophobicContact CD2-CD1 4.44Å; Y180-I192 HydrophobicContact CE2-CD1 3.94Å; Y180-I211 HydrophobicContact CE1-CG1 4.04Å; Y180-I211 WeakPolarHBondContact OH-CG1 3.5Å; Y180-P225 HydrophobicContact CD1-CB 3.89Å; Y180-P225 HydrophobicContact CD1-CG 4.18Å; Y180-P225 HydrophobicContact CD2-CB 4.11Å; Y180-P225 HydrophobicContact CE1-CB 4Å; Y180-P225 HydrophobicContact CE1-CG 4.04Å; Y180-P225 HydrophobicContact CE2-CB 4.22Å; Y180-P225 HydrophobicContact CG-CB 3.95Å
181L97.1Very high95.2Very high6 Ų637.7 Ų37.73%0.03122%0.223CC..EExtended strand (participates in β ladder)trans-103.7128176178.783.2000109.3L151 L154 L168 L169 C183 I188L151-L181 HydrophobicContact CD1-CD2 3.36Å; L154-L181 HydrophobicContact CD1-CD2 4.33Å; L168-L181 CarbonylContact C-O 3.51Å; L168-L181 VanDerWaalsContact CA-O 3.23Å; L168-L181 WeakPolarHBondContact CA-O 3.39Å; L169-L181 HydrophobicContact CB-CB 4.36Å; L169-L181 HydrophobicContact CB-CD2 4.38Å; L169-L181 HydrophobicContact CD2-CD2 4.28Å; L169-L181 PolarHBondContact N-O 3.46Å; L169-L181 PolarHBondContact O-N 3.05Å; L181-C183 PolarHBondContact O-N 2.83Å; L181-I188 HydrophobicContact CD1-CG1 3.72Å
182D97Very high95.1Very high8 Ų837.8 Ų37.84%0.04322%0.224CC..EExtended strand (participates in β ladder)trans-80.7113.7167.9-167.8-31.5000110L168 S184 I185 G186 T187 V189 K403L168-D182 HydrophobicContact CD2-CB 4.08Å; D182-S184 VanDerWaalsContact C-N 3.33Å; D182-S184 PolarHBondContact OD1-N 2.92Å; D182-S184 PolarHBondContact OD1-OG 2.94Å; D182-I185 HydrophobicContact CB-CB 4.42Å; D182-I185 PolarHBondContact OD1-N 2.99Å; D182-I185 WeakPolarHBondContact OD2-CD1 3.32Å; D182-G186 VanDerWaalsContact O-CA 3.24Å; D182-G186 WeakPolarHBondContact O-CA 3.39Å; D182-G186 PolarHBondContact O-N 3.33Å; D182-T187 PolarHBondContact N-O 3.24Å; D182-T187 PolarHBondContact O-N 3.14Å; D182-V189 HydrophobicContact CB-CG2 3.76Å; D182-K403 VanDerWaalsContact CG-NZ 3.27Å; D182-K403 IonicContact OD1-NZ 2.73Å; D182-K403 PolarHBondContact OD1-NZ 3.28Å; D182-K403 VanDerWaalsContact OD1-NZ 3.15Å; D182-K403 IonicContact OD2-NZ 2.96Å; D182-K403 PolarHBondContact OD2-NZ 2.89Å
183C94.7Very high95.1Very high29 Ų2939.3 Ų39.320%0.19623%0.233CC..THydrogen-bonded Turntrans-72.9-25.6-179.3-680000112.9F162 F167 L169 L181F162-C183 HydrophobicContact CE2-CB 4.24Å; F167-C183 PolarHBondContact O-N 2.9Å; L169-C183 VanDerWaalsContact CB-SG 3.56Å; L181-C183 PolarHBondContact O-N 2.83Å
184S94Very high94.9Very high48 Ų4839.5 Ų39.534%0.33624%0.235SC..THydrogen-bonded Turntrans-77.2-34.8-179.864.30000112.4D182 K403D182-S184 VanDerWaalsContact C-N 3.33Å; D182-S184 PolarHBondContact OD1-N 2.92Å; D182-S184 PolarHBondContact OD1-OG 2.94Å; S184-K403 PolarHBondContact OG-NZ 2.87Å
185I94.4Very high94.8Very high114 Ų11445.4 Ų45.459%0.58525%0.252SS*.THydrogen-bonded Turntrans-97.5-28.2-179-53.9176.9000111D182 T187D182-I185 HydrophobicContact CB-CB 4.42Å; D182-I185 PolarHBondContact OD1-N 2.99Å; D182-I185 WeakPolarHBondContact OD2-CD1 3.32Å; I185-T187 HydrophobicContact CG2-CG2 3.92Å
186G92.4Very high94.6Very high51 Ų5142.6 Ų42.653%0.52624%0.236SC..THydrogen-bonded Turntrans82.516.1-175.800000114.1D182D182-G186 VanDerWaalsContact O-CA 3.24Å; D182-G186 WeakPolarHBondContact O-CA 3.39Å; D182-G186 PolarHBondContact O-N 3.33Å
187T94.8Very high94.5Very high72 Ų7244.4 Ų44.444%0.44226%0.256SS..EExtended strand (participates in β ladder)trans-110.7141.6-177.4550000112.1D182 I185 V189D182-T187 PolarHBondContact N-O 3.24Å; D182-T187 PolarHBondContact O-N 3.14Å; I185-T187 HydrophobicContact CG2-CG2 3.92Å; T187-V189 PolarHBondContact O-N 3.23Å
188I96.1Very high94.3Very high51 Ų5148.1 Ų48.126%0.26227%0.267SS..EExtended strand (participates in β ladder)trans-73.4116.2169.8-58.7175.7000107.8K153 L154 Y179 Y180 L181K153-I188 HydrophobicContact CB-CD1 3.66Å; K153-I188 HydrophobicContact CD-CD1 3.63Å; K153-I188 HydrophobicContact CG-CD1 4.29Å; L154-I188 HydrophobicContact CD2-CD1 4.19Å; Y179-I188 HydrophobicContact CD1-CG2 4.32Å; Y180-I188 CarbonylContact O-C 3.59Å; Y180-I188 WeakPolarHBondContact O-CA 3.33Å; L181-I188 HydrophobicContact CD1-CG1 3.72Å
189V95.3Very high93.9Very high35 Ų3548.1 Ų48.121%0.21227%0.267CS..EExtended strand (participates in β ladder)trans-75.8-52.5-178.5179.30000110L168 Y180 D182 T187 Y406L168-V189 HydrophobicContact CD2-CG2 4Å; Y180-V189 PolarHBondContact O-N 2.61Å; D182-V189 HydrophobicContact CB-CG2 3.76Å; T187-V189 PolarHBondContact O-N 3.23Å; V189-Y406 HydrophobicContact CG1-CD1 3.46Å; V189-Y406 VanDerWaalsContact CG1-CD1 3.46Å; V189-Y406 HydrophobicContact CG1-CD2 3.68Å; V189-Y406 HydrophobicContact CG1-CE1 3.3Å; V189-Y406 HydrophobicContact CG1-CE2 3.52Å; V189-Y406 HydrophobicContact CG1-CG 3.65Å; V189-Y406 HydrophobicContact CG2-CD1 4.45Å
190T95.6Very high93.6Very high31 Ų3147.8 Ų47.819%0.1928%0.275CS..EExtended strand (participates in β ladder)trans-141.8147.6178.756.40000112Y180 P225Y180-T190 VanDerWaalsContact CD2-OG1 3.3Å; Y180-T190 WeakPolarHBondContact CD2-OG1 3.31Å; Y180-T190 PolarHBondContact N-O 3.42Å; T190-P225 WeakPolarHBondContact CG2-O 3.35Å
191S95.3Very high93.5Very high68 Ų6848.4 Ų48.448%0.47628%0.279SS..EExtended strand (participates in β ladder)trans-123.9114.5169.559.90000108L178L178-S191 WeakPolarHBondContact O-CA 3.16Å
192I96.2Very high93.5Very high3 Ų348.6 Ų48.62%0.01528%0.279CS..EExtended strand (participates in β ladder)trans-110.4117.5-174.6-57.4174000108.9L178 Y180 T194 W223 E227 K228L178-I192 HydrophobicContact CB-CB 4.37Å; L178-I192 PolarHBondContact N-O 2.74Å; L178-I192 PolarHBondContact O-N 3.1Å; Y180-I192 HydrophobicContact CD2-CD1 4.44Å; Y180-I192 HydrophobicContact CE2-CD1 3.94Å; I192-T194 PolarHBondContact O-N 2.96Å; I192-W223 HydrophobicContact CG2-CE3 3.66Å; I192-W223 HydrophobicContact CG2-CH2 4.38Å; I192-W223 HydrophobicContact CG2-CZ3 3.5Å; I192-W223 VanDerWaalsContact CG2-CZ3 3.5Å; I192-E227 WeakPolarHBondContact CD1-O 3.42Å; I192-K228 WeakPolarHBondContact CG2-O 3.34Å
193P94.9Very high93.5Very high31 Ų3148.6 Ų48.620%0.20128%0.28CS..EExtended strand (participates in β ladder)trans-76.8119.4170.330.3-31000109.6F177 Y195F177-P193 HydrophobicContact CD1-CB 4.29Å; F177-P193 HydrophobicContact CE1-CB 3.92Å; F177-P193 HydrophobicContact CZ-CB 4.2Å; P193-Y195 HydrophobicContact CB-CD2 4.28Å; P193-Y195 HydrophobicContact CB-CE1 4.04Å; P193-Y195 HydrophobicContact CB-CE2 3.75Å; P193-Y195 HydrophobicContact CG-CD2 4.5Å; P193-Y195 HydrophobicContact CG-CE2 3.62Å; P193-Y195 WeakPolarHBondContact CG-OH 3.26Å; P193-Y195 WeakPolarHBondContact O-CD2 3.41Å
194T91.7Very high93.5Very high5 Ų548.8 Ų48.83%0.03128%0.278CS..  trans-83.4-22-178.5660000113.7G176 L178 I192 M196 L199 W223G176-T194 WeakPolarHBondContact O-CB 3.34Å; G176-T194 PolarHBondContact O-N 3.12Å; G176-T194 PolarHBondContact O-OG1 3.21Å; L178-T194 HydrophobicContact CB-CG2 4.27Å; I192-T194 PolarHBondContact O-N 2.96Å; T194-M196 PolarHBondContact O-N 3.25Å; T194-M196 VanDerWaalsContact O-N 3.15Å; T194-L199 HydrophobicContact CG2-CD1 3.63Å; T194-L199 HydrophobicContact CG2-CD2 4.48Å; T194-W223 HydrophobicContact CG2-CH2 3.86Å; T194-W223 HydrophobicContact CG2-CZ2 3.4Å
195Y90.8Very high93.6Very high206 Ų20646.7 Ų46.781%0.80826%0.263SS*.  trans5621.2-177.8-54.5-73.7000115.3P193P193-Y195 HydrophobicContact CB-CD2 4.28Å; P193-Y195 HydrophobicContact CB-CE1 4.04Å; P193-Y195 HydrophobicContact CB-CE2 3.75Å; P193-Y195 HydrophobicContact CG-CD2 4.5Å; P193-Y195 HydrophobicContact CG-CE2 3.62Å; P193-Y195 WeakPolarHBondContact CG-OH 3.26Å; P193-Y195 WeakPolarHBondContact O-CD2 3.41Å
196M89.1Confident93.6Very high28 Ų2842.8 Ų42.814%0.13825%0.245CC..SBendtrans-116.320.8-179.5-65.4-168.8-164.700113.1T194 H215 V219 Y230 K233T194-M196 PolarHBondContact O-N 3.25Å; T194-M196 VanDerWaalsContact O-N 3.15Å; M196-H215 HydrophobicContact CB-CB 4.26Å; M196-H215 WeakPolarHBondContact CB-ND1 3.43Å; M196-H215 HydrophobicContact SD-CB 4.4Å; M196-H215 PolarHBondContact SD-CD2 2.8Å; M196-H215 VanDerWaalsContact SD-CG 3.58Å; M196-H215 PolarHBondContact SD-NE2 2.88Å; M196-V219 HydrophobicContact SD-CG1 4.5Å; M196-Y230 HydrophobicContact CE-CD1 4.25Å; M196-Y230 HydrophobicContact CE-CE1 4.05Å; M196-K233 HydrophobicContact CE-CD 4.07Å
197G88.6Confident93.6Very high42 Ų4243.9 Ų43.943%0.43325%0.245SC..SBendtrans81.4-147.517600000113.7G176 L199G176-G197 WeakPolarHBondContact CA-O 3.37Å; G197-L199 PolarHBondContact O-N 2.76Å
198R91Very high93.5Very high147 Ų14742.1 Ų42.156%0.55523%0.233SC*.  trans-71.7120-172.3-171.9-179.6-177.2-179.92.9111.5L158 D174 G200L158-R198 HydrophobicContact CD1-CG 3.4Å; L158-R198 VanDerWaalsContact CD1-CG 3.4Å; L158-R198 VanDerWaalsContact CD1-NE 3.3Å; D174-R198 WeakPolarHBondContact O-CA 3.37Å; R198-G200 PolarHBondContact O-N 2.8Å
199L88Confident93.4Very high0 Ų039.9 Ų39.90%022%0.222CC..  trans-9578-177.3-64.3173.3000112.2T172 T194 G197 H215T172-L199 WeakPolarHBondContact CB-O 3.38Å; T172-L199 HydrophobicContact CG2-CB 4.02Å; T172-L199 HydrophobicContact CG2-CD1 4.15Å; T172-L199 PolarHBondContact OG1-O 2.84Å; T194-L199 HydrophobicContact CG2-CD1 3.63Å; T194-L199 HydrophobicContact CG2-CD2 4.48Å; G197-L199 PolarHBondContact O-N 2.76Å; L199-H215 VanDerWaalsContact CD2-CE1 3.46Å; L199-H215 WeakPolarHBondContact CD2-CE1 3.48Å; L199-H215 WeakPolarHBondContact CD2-ND1 3.28Å
200G91.6Very high93.4Very high28 Ų2838.2 Ų38.229%0.28921%0.212SC..  trans-83.7-11.7178.500000115.1R159 R198R159-G200 WeakPolarHBondContact CG-O 3.37Å; R198-G200 PolarHBondContact O-N 2.8Å
201V95.4Very high93.5Very high14 Ų1436.8 Ų36.89%0.08520%0.203CC..EExtended strand (participates in β ladder)trans-128.3123.8-173.3-173.90000110.3T213 G214 I241 T242 I244V201-T213 WeakPolarHBondContact O-CA 3.48Å; V201-G214 PolarHBondContact O-N 2.91Å; V201-I241 HydrophobicContact CG1-CG2 4.37Å; V201-I241 WeakPolarHBondContact CG2-O 3.32Å; V201-T242 VanDerWaalsContact CG2-O 3.24Å; V201-T242 WeakPolarHBondContact CG2-O 3.22Å; V201-I244 HydrophobicContact CG1-CB 4.13Å; V201-I244 HydrophobicContact CG1-CD1 4.02Å; V201-I244 HydrophobicContact CG1-CG1 3.7Å
202M96.4Very high93.5Very high9 Ų933.6 Ų33.64%0.04418%0.18CC..EExtended strand (participates in β ladder)trans-145.3145.6179.8-179.1172.158.800109.7R159 M160 E161 V170 T172 L178 I211 C212R159-M202 HydrophobicContact CB-CB 4.21Å; R159-M202 HydrophobicContact CB-CE 4.08Å; R159-M202 WeakPolarHBondContact O-CE 3.24Å; M160-M202 VanDerWaalsContact C-CE 3.41Å; E161-M202 HydrophobicContact CB-CE 3.87Å; E161-M202 HydrophobicContact CG-CE 3.9Å; E161-M202 HydrophobicContact CG-CG 4.37Å; V170-M202 HydrophobicContact CB-SD 4.44Å; V170-M202 HydrophobicContact CG1-CE 4.47Å; V170-M202 HydrophobicContact CG1-SD 3.73Å; T172-M202 HydrophobicContact CG2-CB 4.2Å; T172-M202 HydrophobicContact CG2-CE 4.18Å; T172-M202 HydrophobicContact CG2-CG 4.36Å; T172-M202 HydrophobicContact CG2-SD 3.56Å; T172-M202 VanDerWaalsContact CG2-SD 3.56Å; L178-M202 HydrophobicContact CD1-SD 4.11Å; M202-I211 HydrophobicContact CG-CG2 3.68Å; M202-I211 HydrophobicContact SD-CG2 3.65Å; M202-C212 CarbonylContact C-O 3.59Å; M202-C212 WeakPolarHBondContact CA-O 3.39Å
203C96.4Very high93.6Very high8 Ų833.4 Ų33.45%0.05418%0.18CC..EExtended strand (participates in β ladder)trans-143.7153.9163.571.40000110.8C212 I244C203-C212 PolarHBondContact N-O 3.08Å; C203-C212 PolarHBondContact O-N 2.96Å; C203-I244 WeakPolarHBondContact SG-CG2 3.39Å
204Q96.5Very high93.6Very high33 Ų3332 Ų3215%0.15417%0.171CC..EExtended strand (participates in β ladder)trans-90.2142.9170.1170.9-166.1-2.300109.6F162 L163 P206 I211 C246F162-Q204 PolarHBondContact O-OE1 2.95Å; L163-Q204 HydrophobicContact CD2-CB 4.21Å; L163-Q204 HydrophobicContact CD2-CG 3.39Å; L163-Q204 VanDerWaalsContact CD2-NE2 3.3Å; Q204-P206 WeakPolarHBondContact O-CD 3.48Å; Q204-I211 HydrophobicContact CB-CD1 4.13Å; Q204-C246 WeakPolarHBondContact O-CB 3.38Å
205N95.8Very high93.8Very high5 Ų531.8 Ų31.83%0.02717%0.17CC..  trans-85.5111.9156.7-179.4-21000109.8S207 N208 G209 V210 G250N205-S207 PolarHBondContact O-N 3.46Å; N205-S207 WeakPolarHBondContact OD1-CB 3.45Å; N205-S207 PolarHBondContact OD1-N 2.76Å; N205-S207 PolarHBondContact OD1-OG 3.42Å; N205-N208 WeakPolarHBondContact CB-OD1 3.44Å; N205-N208 PolarHBondContact ND2-ND2 3.35Å; N205-N208 PolarHBondContact ND2-OD1 3.39Å; N205-G209 WeakPolarHBondContact O-CA 3.49Å; N205-G209 PolarHBondContact O-N 3.36Å; N205-V210 PolarHBondContact N-O 3.2Å; N205-G250 PolarHBondContact ND2-O 3.4Å; N205-G250 WeakPolarHBondContact OD1-CA 3.47Å
206P93.9Very high94Very high32 Ų3226.3 Ų26.321%0.20815%0.154CC..THydrogen-bonded Turntrans-67-22.4-173.923.8-31.3000113.8Q204 D247Q204-P206 WeakPolarHBondContact O-CD 3.48Å; P206-D247 WeakPolarHBondContact CG-O 3.43Å
207S92.2Very high94.2Very high74 Ų7430.2 Ų30.252%0.51718%0.176SC..THydrogen-bonded Turntrans-75.2-36.5-177.771.10000113.9N205N205-S207 PolarHBondContact O-N 3.46Å; N205-S207 WeakPolarHBondContact OD1-CB 3.45Å; N205-S207 PolarHBondContact OD1-N 2.76Å; N205-S207 PolarHBondContact OD1-OG 3.42Å
208N92.5Very high94.4Very high35 Ų3528.2 Ų28.219%0.18716%0.155CC..THydrogen-bonded Turntrans-126.2-7.7-170.263.69.1000113.9N205 V210N205-N208 WeakPolarHBondContact CB-OD1 3.44Å; N205-N208 PolarHBondContact ND2-ND2 3.35Å; N205-N208 PolarHBondContact ND2-OD1 3.39Å; N208-V210 VanDerWaalsContact C-N 3.26Å; N208-V210 HydrophobicContact CB-CG2 4.31Å; N208-V210 PolarHBondContact O-N 3.06Å; N208-V210 WeakPolarHBondContact OD1-CB 3.35Å; N208-V210 WeakPolarHBondContact OD1-CG2 3.44Å; N208-V210 PolarHBondContact OD1-N 3.47Å
209G93.8Very high94.7Very high3 Ų321.8 Ų21.83%0.03113%0.132CC..  trans7510.4-179.800000114.5N205N205-G209 WeakPolarHBondContact O-CA 3.49Å; N205-G209 PolarHBondContact O-N 3.36Å
210V95.6Very high95.1Very high1 Ų121.8 Ų21.81%0.00613%0.132CC..PPolyproline II helixtrans-74.8140.6176.9176.40000109.7N205 N208 M222 W223 V224 I409 L411N205-V210 PolarHBondContact N-O 3.2Å; N208-V210 VanDerWaalsContact C-N 3.26Å; N208-V210 HydrophobicContact CB-CG2 4.31Å; N208-V210 PolarHBondContact O-N 3.06Å; N208-V210 WeakPolarHBondContact OD1-CB 3.35Å; N208-V210 WeakPolarHBondContact OD1-CG2 3.44Å; N208-V210 PolarHBondContact OD1-N 3.47Å; V210-M222 HydrophobicContact CG1-CB 3.85Å; V210-W223 WeakPolarHBondContact CG1-O 3.39Å; V210-V224 HydrophobicContact CG1-CG2 4.48Å; V210-V224 HydrophobicContact CG2-CG2 3.95Å; V210-I409 HydrophobicContact CG2-CG2 4.16Å; V210-L411 HydrophobicContact CG1-CD2 4.21Å; V210-L411 HydrophobicContact CG2-CD2 4.23Å
211I97.2Very high95.3Very high0 Ų020.5 Ų20.50%012%0.119CC..EExtended strand (participates in β ladder)trans-100.1125-179.7-60.7-66.9000109.8L163 V170 L178 Y180 M202 Q204 T213 M222 W223L163-I211 HydrophobicContact CD2-CD1 4.03Å; V170-I211 HydrophobicContact CB-CD1 4.11Å; V170-I211 HydrophobicContact CB-CG1 4.37Å; V170-I211 HydrophobicContact CG1-CD1 4.13Å; V170-I211 HydrophobicContact CG1-CG1 3.97Å; V170-I211 HydrophobicContact CG1-CG2 4.26Å; V170-I211 HydrophobicContact CG2-CD1 3.85Å; V170-I211 HydrophobicContact CG2-CG1 3.98Å; L178-I211 HydrophobicContact CD1-CG2 4.39Å; L178-I211 HydrophobicContact CD2-CG2 4.48Å; Y180-I211 HydrophobicContact CE1-CG1 4.04Å; Y180-I211 WeakPolarHBondContact OH-CG1 3.5Å; M202-I211 HydrophobicContact CG-CG2 3.68Å; M202-I211 HydrophobicContact SD-CG2 3.65Å; Q204-I211 HydrophobicContact CB-CD1 4.13Å; I211-T213 HydrophobicContact CG2-CG2 4.21Å; I211-M222 CarbonylContact O-C 3.59Å; I211-M222 WeakPolarHBondContact O-CA 3.32Å; I211-W223 PolarHBondContact N-O 2.69Å; I211-W223 VanDerWaalsContact N-O 3.12Å; I211-W223 PolarHBondContact O-N 2.84Å
212C96.5Very high95.3Very high1 Ų120 Ų201%0.00712%0.115CC..EExtended strand (participates in β ladder)trans-99.3129.4173.4-59.50000109.1M202 C203 V220 S221 L253M202-C212 CarbonylContact C-O 3.59Å; M202-C212 WeakPolarHBondContact CA-O 3.39Å; C203-C212 PolarHBondContact N-O 3.08Å; C203-C212 PolarHBondContact O-N 2.96Å; C212-V220 HydrophobicContact CB-CG1 4.23Å; C212-S221 WeakPolarHBondContact CA-O 3.4Å; C212-L253 HydrophobicContact CB-CD1 4.06Å
213T96.9Very high95.3Very high0 Ų019.7 Ų19.70%011%0.114CC..EExtended strand (participates in β ladder)trans-118.5138.5175.560.20000110.5T172 V201 I211 H215 V220 S221 W223T172-T213 HydrophobicContact CG2-CG2 4.4Å; V201-T213 WeakPolarHBondContact O-CA 3.48Å; I211-T213 HydrophobicContact CG2-CG2 4.21Å; T213-H215 PolarHBondContact OG1-CE1 3.01Å; T213-H215 PolarHBondContact OG1-NE2 2.87Å; T213-V220 WeakPolarHBondContact O-CA 3.44Å; T213-S221 PolarHBondContact N-O 2.81Å; T213-S221 PolarHBondContact O-N 2.86Å; T213-S221 PolarHBondContact OG1-O 2.82Å; T213-S221 PolarHBondContact OG1-OG 3.38Å; T213-W223 PolarHBondContact OG1-NE1 2.91Å
214G95.8Very high95.2Very high2 Ų219.6 Ų19.62%0.02111%0.113CC..EExtended strand (participates in β ladder)trans-98.7135.4174.800000111.7V201 I244V201-G214 PolarHBondContact O-N 2.91Å; G214-I244 VanDerWaalsContact CA-CD1 3.45Å
215H95.8Very high95.2Very high0 Ų018.2 Ų18.20%011%0.107CC..  trans-109.9162.5-177.1-56.8-66.5000112.4M196 L199 T213 D217 G218 V219 S221 I241M196-H215 HydrophobicContact CB-CB 4.26Å; M196-H215 WeakPolarHBondContact CB-ND1 3.43Å; M196-H215 HydrophobicContact SD-CB 4.4Å; M196-H215 PolarHBondContact SD-CD2 2.8Å; M196-H215 VanDerWaalsContact SD-CG 3.58Å; M196-H215 PolarHBondContact SD-NE2 2.88Å; L199-H215 VanDerWaalsContact CD2-CE1 3.46Å; L199-H215 WeakPolarHBondContact CD2-CE1 3.48Å; L199-H215 WeakPolarHBondContact CD2-ND1 3.28Å; T213-H215 PolarHBondContact OG1-CE1 3.01Å; T213-H215 PolarHBondContact OG1-NE2 2.87Å; H215-D217 PolarHBondContact O-N 2.75Å; H215-G218 PolarHBondContact O-N 3.38Å; H215-V219 HydrophobicContact CB-CB 4.45Å; H215-V219 WeakPolarHBondContact CB-O 3.42Å; H215-V219 PolarHBondContact CD2-O 3.37Å; H215-V219 PolarHBondContact N-O 3.3Å; H215-S221 PolarHBondContact NE2-OG 3.38Å; H215-I241 PolarHBondContact O-N 2.88Å
216N94.1Very high95.1Very high90 Ų9021 Ų2148%0.48113%0.126SC..THydrogen-bonded Turntrans-68.3-23.7177.3-67.1-17.5000113G218 A240N216-G218 PolarHBondContact O-N 2.97Å; N216-A240 HydrophobicContact CB-CB 4.39Å; N216-A240 WeakPolarHBondContact O-CA 3.45Å; N216-A240 WeakPolarHBondContact O-CB 3.32Å; N216-A240 PolarHBondContact O-N 2.72Å
217D93.5Very high95Very high111 Ų11123.7 Ų23.759%0.59414%0.136SC*.THydrogen-bonded Turntrans-79.96.9177-61-22.7000113H215 V219H215-D217 PolarHBondContact O-N 2.75Å; D217-V219 VanDerWaalsContact C-N 3.27Å; D217-V219 HydrophobicContact CB-CG2 4.39Å; D217-V219 PolarHBondContact O-N 3.41Å
218G94.6Very high95Very high0 Ų029 Ų290%015%0.15CC..SBendtrans78.111.9-179.200000114.7H215 N216 A236 H237 T239H215-G218 PolarHBondContact O-N 3.38Å; N216-G218 PolarHBondContact O-N 2.97Å; G218-A236 PolarHBondContact O-N 3.49Å; G218-H237 CarbonylContact C-O 3.59Å; G218-H237 VanDerWaalsContact CA-O 3.23Å; G218-H237 WeakPolarHBondContact CA-O 3.42Å; G218-H237 PolarHBondContact O-N 3.2Å; G218-T239 WeakPolarHBondContact CA-O 3.33Å; G218-T239 PolarHBondContact N-O 2.95Å
219V96Very high95Very high12 Ų1230.7 Ų30.77%0.07317%0.165CC..EExtended strand (participates in β ladder)trans-93.1139.2178176.80000110M196 H215 D217 K233 M234 F235 I241M196-V219 HydrophobicContact SD-CG1 4.5Å; H215-V219 HydrophobicContact CB-CB 4.45Å; H215-V219 WeakPolarHBondContact CB-O 3.42Å; H215-V219 PolarHBondContact CD2-O 3.37Å; H215-V219 PolarHBondContact N-O 3.3Å; D217-V219 VanDerWaalsContact C-N 3.27Å; D217-V219 HydrophobicContact CB-CG2 4.39Å; D217-V219 PolarHBondContact O-N 3.41Å; V219-K233 HydrophobicContact CG1-CD 4.1Å; V219-K233 HydrophobicContact CG1-CG 3.4Å; V219-M234 CarbonylContact C-O 3.24Å; V219-M234 WeakPolarHBondContact CA-O 3.5Å; V219-M234 WeakPolarHBondContact CG1-O 3.3Å; V219-F235 HydrophobicContact CG2-CD2 4.08Å; V219-I241 WeakPolarHBondContact O-CD1 3.45Å
220V96.3Very high95Very high0 Ų035.1 Ų35.10%018%0.181CC..EExtended strand (participates in β ladder)trans-102.1136160.9-179.60000108.6C212 T213 M234 A236 I241 I244 L253 T255C212-V220 HydrophobicContact CB-CG1 4.23Å; T213-V220 WeakPolarHBondContact O-CA 3.44Å; V220-M234 HydrophobicContact CB-CG 3.52Å; V220-M234 HydrophobicContact CB-SD 3.83Å; V220-M234 HydrophobicContact CG1-CG 4.24Å; V220-M234 HydrophobicContact CG1-SD 4.03Å; V220-M234 HydrophobicContact CG2-CG 4.38Å; V220-M234 HydrophobicContact CG2-SD 4.49Å; V220-M234 PolarHBondContact N-O 2.99Å; V220-M234 WeakPolarHBondContact O-CG 3.43Å; V220-M234 PolarHBondContact O-N 2.91Å; V220-A236 HydrophobicContact CG2-CB 4.01Å; V220-I241 HydrophobicContact CB-CD1 4.37Å; V220-I241 HydrophobicContact CG2-CD1 3.24Å; V220-I244 HydrophobicContact CB-CD1 4.4Å; V220-I244 HydrophobicContact CG1-CD1 3.96Å; V220-I244 HydrophobicContact CG2-CD1 3.68Å; V220-I244 HydrophobicContact CG2-CG1 4.46Å; V220-L253 HydrophobicContact CG1-CD2 4.47Å; V220-T255 HydrophobicContact CG2-CG2 3.81Å
221S95.7Very high95Very high0 Ų037.4 Ų37.40%020%0.195CC..EExtended strand (participates in β ladder)trans-122.8145.1171.363.60000111.2C212 T213 H215 W223 V232C212-S221 WeakPolarHBondContact CA-O 3.4Å; T213-S221 PolarHBondContact N-O 2.81Å; T213-S221 PolarHBondContact O-N 2.86Å; T213-S221 PolarHBondContact OG1-O 2.82Å; T213-S221 PolarHBondContact OG1-OG 3.38Å; H215-S221 PolarHBondContact NE2-OG 3.38Å; S221-W223 VanDerWaalsContact OG-CE2 3.3Å; S221-W223 WeakPolarHBondContact OG-CZ2 3.36Å; S221-W223 PolarHBondContact OG-NE1 3.05Å; S221-V232 CarbonylContact C-O 3.43Å; S221-V232 WeakPolarHBondContact CA-O 3.11Å
222M95.8Very high94.8Very high4 Ų438.5 Ų38.52%0.0220%0.201CC..EExtended strand (participates in β ladder)trans-108.2131.8179.2-59.4178.8-166.400110.1V210 I211 Y230 V231 V232 M234 L267 Y271 L411V210-M222 HydrophobicContact CG1-CB 3.85Å; I211-M222 CarbonylContact O-C 3.59Å; I211-M222 WeakPolarHBondContact O-CA 3.32Å; M222-Y230 CarbonylContact O-C 3.54Å; M222-Y230 WeakPolarHBondContact O-CA 3.38Å; M222-V231 PolarHBondContact O-N 3.48Å; M222-V232 HydrophobicContact CB-CB 4.15Å; M222-V232 HydrophobicContact CE-CG1 4.22Å; M222-V232 HydrophobicContact CG-CB 4.19Å; M222-V232 PolarHBondContact N-O 3.21Å; M222-V232 HydrophobicContact SD-CB 3.9Å; M222-V232 HydrophobicContact SD-CG1 4.12Å; M222-V232 HydrophobicContact SD-CG2 4.39Å; M222-M234 HydrophobicContact CE-SD 3.64Å; M222-L267 HydrophobicContact CE-CD2 3.22Å; M222-L267 HydrophobicContact SD-CD2 4.26Å; M222-Y271 HydrophobicContact CE-CD1 4.13Å; M222-Y271 HydrophobicContact CE-CE1 3.89Å; M222-Y271 HydrophobicContact SD-CE1 4.1Å; M222-L411 HydrophobicContact SD-CD2 4.16Å
223W96Very high94.7Very high3 Ų343.6 Ų43.61%0.01122%0.223CC..EExtended strand (participates in β ladder)trans-121.4140.1-172.4-57.995.8000111.4L178 I192 T194 V210 I211 T213 S221 Y230L178-W223 HydrophobicContact CD2-CB 3.67Å; L178-W223 HydrophobicContact CD2-CD2 4.3Å; L178-W223 HydrophobicContact CD2-CG 3.68Å; I192-W223 HydrophobicContact CG2-CE3 3.66Å; I192-W223 HydrophobicContact CG2-CH2 4.38Å; I192-W223 HydrophobicContact CG2-CZ3 3.5Å; I192-W223 VanDerWaalsContact CG2-CZ3 3.5Å; T194-W223 HydrophobicContact CG2-CH2 3.86Å; T194-W223 HydrophobicContact CG2-CZ2 3.4Å; V210-W223 WeakPolarHBondContact CG1-O 3.39Å; I211-W223 PolarHBondContact N-O 2.69Å; I211-W223 VanDerWaalsContact N-O 3.12Å; I211-W223 PolarHBondContact O-N 2.84Å; T213-W223 PolarHBondContact OG1-NE1 2.91Å; S221-W223 VanDerWaalsContact OG-CE2 3.3Å; S221-W223 WeakPolarHBondContact OG-CZ2 3.36Å; S221-W223 PolarHBondContact OG-NE1 3.05Å; W223-Y230 HydrophobicContact CH2-CD1 4.04Å; W223-Y230 HydrophobicContact CZ2-CD1 4.5Å
224V95.5Very high94.6Very high5 Ų544.1 Ų44.13%0.0323%0.226CC..  trans-123.7134.4173.9167.50000107.1V210 S226 E227 V231 I409V210-V224 HydrophobicContact CG1-CG2 4.48Å; V210-V224 HydrophobicContact CG2-CG2 3.95Å; V224-S226 PolarHBondContact O-N 3.06Å; V224-E227 PolarHBondContact O-N 3.37Å; V224-E227 VanDerWaalsContact O-N 3.12Å; V224-V231 HydrophobicContact CB-CG2 3.82Å; V224-V231 HydrophobicContact CG2-CG2 3.54Å; V224-I409 HydrophobicContact CG1-CG2 4.3Å; V224-I409 WeakPolarHBondContact CG1-O 3.36Å; V224-I409 HydrophobicContact CG2-CG2 4.3Å
225P95.7Very high94.5Very high4 Ų450.5 Ų50.53%0.02625%0.254CS..THydrogen-bonded Turntrans-64.4-22.9-176.923.4-32.8000113.7Y180 T190 E227 Y406 I409Y180-P225 HydrophobicContact CD1-CB 3.89Å; Y180-P225 HydrophobicContact CD1-CG 4.18Å; Y180-P225 HydrophobicContact CD2-CB 4.11Å; Y180-P225 HydrophobicContact CE1-CB 4Å; Y180-P225 HydrophobicContact CE1-CG 4.04Å; Y180-P225 HydrophobicContact CE2-CB 4.22Å; Y180-P225 HydrophobicContact CG-CB 3.95Å; T190-P225 WeakPolarHBondContact CG2-O 3.35Å; P225-E227 VanDerWaalsContact C-N 3.3Å; P225-E227 PolarHBondContact O-N 3.09Å; P225-Y406 HydrophobicContact CB-CD2 4.06Å; P225-Y406 HydrophobicContact CG-CD2 4.16Å; P225-I409 HydrophobicContact CG-CB 4.26Å; P225-I409 HydrophobicContact CG-CD1 3.79Å
226S93.4Very high94.5Very high63 Ų6350.5 Ų50.544%0.44125%0.254SS..THydrogen-bonded Turntrans-69.8-23.8176.3-52.80000113.7V224 T407V224-S226 PolarHBondContact O-N 3.06Å; S226-T407 WeakPolarHBondContact OG-CA 3.23Å
227E92.8Very high94.5Very high89 Ų8946.2 Ų46.242%0.41623%0.231SC..  trans-112.3139.5-176-65.3-173.2-170.400110.9I192 V224 P225 S229I192-E227 WeakPolarHBondContact CD1-O 3.42Å; V224-E227 PolarHBondContact O-N 3.37Å; V224-E227 VanDerWaalsContact O-N 3.12Å; P225-E227 VanDerWaalsContact C-N 3.3Å; P225-E227 PolarHBondContact O-N 3.09Å; E227-S229 VanDerWaalsContact C-N 3.35Å
228K91Very high94.6Very high187 Ų18745.3 Ų45.381%0.81323%0.231SC*.SBendtrans-81.2-18.3176.3-66.9-175.1179.8-179.50112.9I192I192-K228 WeakPolarHBondContact CG2-O 3.34Å
229S93.7Very high94.6Very high70 Ų7047.6 Ų47.649%0.4925%0.245SC..SBendtrans-101.5160.5175.548.90000110.4E227E227-S229 VanDerWaalsContact C-N 3.35Å
230Y94.1Very high94.6Very high96 Ų9648.4 Ų48.438%0.37625%0.252SS..  trans-63.9143.7168.353.7-96.6000109.7M196 M222 W223 K233M196-Y230 HydrophobicContact CE-CD1 4.25Å; M196-Y230 HydrophobicContact CE-CE1 4.05Å; M222-Y230 CarbonylContact O-C 3.54Å; M222-Y230 WeakPolarHBondContact O-CA 3.38Å; W223-Y230 HydrophobicContact CH2-CD1 4.04Å; W223-Y230 HydrophobicContact CZ2-CD1 4.5Å; Y230-K233 HydrophobicContact CD2-CB 3.65Å; Y230-K233 HydrophobicContact CE1-CD 4.33Å; Y230-K233 HydrophobicContact CE2-CB 3.46Å; Y230-K233 VanDerWaalsContact CE2-CB 3.46Å; Y230-K233 HydrophobicContact CE2-CD 4.04Å; Y230-K233 HydrophobicContact CE2-CG 4.3Å; Y230-K233 HydrophobicContact CG-CB 4.44Å
231V93.7Very high94.6Very high48 Ų4848.8 Ų48.829%0.29125%0.254SS..SBendtrans-82-38177.5-164.90000110.3M222 V224 L411M222-V231 PolarHBondContact O-N 3.48Å; V224-V231 HydrophobicContact CB-CG2 3.82Å; V224-V231 HydrophobicContact CG2-CG2 3.54Å; V231-L411 HydrophobicContact CB-CD1 3.96Å; V231-L411 HydrophobicContact CB-CG 4.4Å; V231-L411 HydrophobicContact CG1-CD1 3.28Å; V231-L411 HydrophobicContact CG1-CG 3.92Å
232V94Very high94.6Very high23 Ų2350.4 Ų50.414%0.13926%0.264CS..EExtended strand (participates in β ladder)trans-134.6140.6177.6172.20000109.1S221 M222 Y271 L411S221-V232 CarbonylContact C-O 3.43Å; S221-V232 WeakPolarHBondContact CA-O 3.11Å; M222-V232 HydrophobicContact CB-CB 4.15Å; M222-V232 HydrophobicContact CE-CG1 4.22Å; M222-V232 HydrophobicContact CG-CB 4.19Å; M222-V232 PolarHBondContact N-O 3.21Å; M222-V232 HydrophobicContact SD-CB 3.9Å; M222-V232 HydrophobicContact SD-CG1 4.12Å; M222-V232 HydrophobicContact SD-CG2 4.39Å; V232-Y271 HydrophobicContact CG1-CD1 4.08Å; V232-Y271 HydrophobicContact CG1-CE1 3.94Å; V232-Y271 HydrophobicContact CG1-CE2 4.5Å; V232-Y271 HydrophobicContact CG1-CG 4.41Å; V232-Y271 HydrophobicContact CG2-CE1 4.24Å; V232-Y271 HydrophobicContact CG2-CE2 4.22Å; V232-L411 HydrophobicContact CG2-CD1 3.61Å
233K94Very high94.6Very high108 Ų10850.5 Ų50.547%0.4727%0.266SS..EExtended strand (participates in β ladder)trans-128119.7171.1-174.1-179.2-176.8-176.90107.9M196 V219 Y230M196-K233 HydrophobicContact CE-CD 4.07Å; V219-K233 HydrophobicContact CG1-CD 4.1Å; V219-K233 HydrophobicContact CG1-CG 3.4Å; Y230-K233 HydrophobicContact CD2-CB 3.65Å; Y230-K233 HydrophobicContact CE1-CD 4.33Å; Y230-K233 HydrophobicContact CE2-CB 3.46Å; Y230-K233 VanDerWaalsContact CE2-CB 3.46Å; Y230-K233 HydrophobicContact CE2-CD 4.04Å; Y230-K233 HydrophobicContact CE2-CG 4.3Å; Y230-K233 HydrophobicContact CG-CB 4.44Å
234M94.8Very high94.7Very high11 Ų1150.8 Ų50.85%0.05427%0.267CS..EExtended strand (participates in β ladder)trans-120.7130.7-178.761.1-173-73.200109.5V219 V220 M222 A236 L253 W265V219-M234 CarbonylContact C-O 3.24Å; V219-M234 WeakPolarHBondContact CA-O 3.5Å; V219-M234 WeakPolarHBondContact CG1-O 3.3Å; V220-M234 HydrophobicContact CB-CG 3.52Å; V220-M234 HydrophobicContact CB-SD 3.83Å; V220-M234 HydrophobicContact CG1-CG 4.24Å; V220-M234 HydrophobicContact CG1-SD 4.03Å; V220-M234 HydrophobicContact CG2-CG 4.38Å; V220-M234 HydrophobicContact CG2-SD 4.49Å; V220-M234 PolarHBondContact N-O 2.99Å; V220-M234 WeakPolarHBondContact O-CG 3.43Å; V220-M234 PolarHBondContact O-N 2.91Å; M222-M234 HydrophobicContact CE-SD 3.64Å; M234-A236 PolarHBondContact O-N 2.88Å; M234-L253 HydrophobicContact CE-CD2 3.88Å; M234-L253 HydrophobicContact SD-CD2 4.01Å; M234-W265 HydrophobicContact CE-CB 3.91Å; M234-W265 HydrophobicContact CE-CD2 3.18Å; M234-W265 HydrophobicContact CE-CE3 3.5Å; M234-W265 HydrophobicContact CE-CG 3.35Å; M234-W265 HydrophobicContact CE-CH2 4.48Å; M234-W265 HydrophobicContact CE-CZ2 4.26Å; M234-W265 HydrophobicContact CE-CZ3 4.12Å
235F94.9Very high94.8Very high137 Ų13750.8 Ų50.860%0.60127%0.268SS*.EExtended strand (participates in β ladder)trans-85.8100.8175-178.2-102.6000108.6V219 H237V219-F235 HydrophobicContact CG2-CD2 4.08Å; F235-H237 WeakPolarHBondContact CE2-O 3.07Å; F235-H237 WeakPolarHBondContact CZ-O 3.12Å
236A94.5Very high94.8Very high0 Ų051.3 Ų51.30%027%0.271CS..  trans-90.7-48.6-170.300000112.1G218 V220 M234 I241 T255 K263 W265G218-A236 PolarHBondContact O-N 3.49Å; V220-A236 HydrophobicContact CG2-CB 4.01Å; M234-A236 PolarHBondContact O-N 2.88Å; A236-I241 HydrophobicContact CB-CD1 4.28Å; A236-T255 HydrophobicContact CB-CG2 4.32Å; A236-K263 WeakPolarHBondContact O-CD 3.47Å; A236-K263 PolarHBondContact O-NZ 2.79Å; A236-W265 VanDerWaalsContact CA-CZ2 3.41Å; A236-W265 HydrophobicContact CB-CH2 4.49Å; A236-W265 HydrophobicContact CB-CZ2 3.72Å
237H95Very high94.8Very high0 Ų048.8 Ų48.80%025%0.253CS..  trans-130154-175.8-67.5-87.8000110.7G218 F235 T239 T255 D259 K261G218-H237 CarbonylContact C-O 3.59Å; G218-H237 VanDerWaalsContact CA-O 3.23Å; G218-H237 WeakPolarHBondContact CA-O 3.42Å; G218-H237 PolarHBondContact O-N 3.2Å; F235-H237 WeakPolarHBondContact CE2-O 3.07Å; F235-H237 WeakPolarHBondContact CZ-O 3.12Å; H237-T239 WeakPolarHBondContact CB-O 3.45Å; H237-T239 PolarHBondContact O-N 3.11Å; H237-T255 WeakPolarHBondContact NE2-CB 3.42Å; H237-T255 PolarHBondContact NE2-O 3.1Å; H237-T255 PolarHBondContact NE2-OG1 2.79Å; H237-D259 IonicContact CE1-OD1 3.49Å; H237-D259 IonicContact CE1-OD2 3.94Å; H237-D259 IonicContact CG-OD2 2.88Å; H237-D259 IonicContact ND1-OD1 2.65Å; H237-D259 PolarHBondContact ND1-OD1 3.35Å; H237-D259 IonicContact ND1-OD2 3.78Å; H237-D259 PolarHBondContact ND1-OD2 2.85Å; H237-K261 PolarHBondContact CE1-O 2.54Å
238P95.2Very high94.9Very high92 Ų9249.3 Ų49.360%0.59726%0.255SS*.SBendtrans-74.9-10.8169.631.2-34.7000113.3D259P238-D259 WeakPolarHBondContact CD-OD2 3.36Å
239T95.2Very high94.9Very high48 Ų4844.6 Ų44.629%0.29424%0.242SC..SBendtrans-125.5170.5-178.660.20000110.5G218 H237 I241 V258 D259G218-T239 WeakPolarHBondContact CA-O 3.33Å; G218-T239 PolarHBondContact N-O 2.95Å; H237-T239 WeakPolarHBondContact CB-O 3.45Å; H237-T239 PolarHBondContact O-N 3.11Å; T239-I241 PolarHBondContact O-N 3.27Å; T239-V258 PolarHBondContact OG1-N 3Å; T239-D259 HydrophobicContact CG2-CB 4.23Å; T239-D259 WeakPolarHBondContact OG1-CB 3.17Å; T239-D259 PolarHBondContact OG1-N 3.31Å
240A95.3Very high94.8Very high28 Ų2841.5 Ų41.523%0.23122%0.222CC..  trans-52139.3178.400000112.7N216 G257 V258N216-A240 HydrophobicContact CB-CB 4.39Å; N216-A240 WeakPolarHBondContact O-CA 3.45Å; N216-A240 WeakPolarHBondContact O-CB 3.32Å; N216-A240 PolarHBondContact O-N 2.72Å; A240-G257 WeakPolarHBondContact O-CA 3.42Å; A240-V258 HydrophobicContact CB-CG2 4.16Å; A240-V258 WeakPolarHBondContact O-CG2 3.4Å; A240-V258 PolarHBondContact O-N 3.44Å
241I96.6Very high94.6Very high8 Ų837.7 Ų37.74%0.04121%0.209CC..EExtended strand (participates in β ladder)trans-79.8128.1176.5-60.3-177.5000108.7V201 H215 V219 V220 A236 T239 I244 C256V201-I241 HydrophobicContact CG1-CG2 4.37Å; V201-I241 WeakPolarHBondContact CG2-O 3.32Å; H215-I241 PolarHBondContact O-N 2.88Å; V219-I241 WeakPolarHBondContact O-CD1 3.45Å; V220-I241 HydrophobicContact CB-CD1 4.37Å; V220-I241 HydrophobicContact CG2-CD1 3.24Å; A236-I241 HydrophobicContact CB-CD1 4.28Å; T239-I241 PolarHBondContact O-N 3.27Å; I241-I244 HydrophobicContact CG2-CD1 3.98Å; I241-I244 HydrophobicContact CG2-CG1 3.58Å; I241-C256 WeakPolarHBondContact CA-O 3.24Å; I241-C256 WeakPolarHBondContact CG2-O 3.48Å
242T95.6Very high94.7Very high34 Ų3437.8 Ų37.821%0.20920%0.204CC..EExtended strand (participates in β ladder)trans-91.1-37.717955.60000112.3V201 C256 V258 S282 A283V201-T242 VanDerWaalsContact CG2-O 3.24Å; V201-T242 WeakPolarHBondContact CG2-O 3.22Å; T242-C256 PolarHBondContact N-O 3Å; T242-C256 WeakPolarHBondContact OG1-CB 3.32Å; T242-C256 PolarHBondContact OG1-O 3.34Å; T242-V258 HydrophobicContact CG2-CG2 3.6Å; T242-S282 WeakPolarHBondContact CG2-OG 3.23Å; T242-A283 WeakPolarHBondContact CB-O 2.77Å; T242-A283 PolarHBondContact OG1-O 2.6Å
243S96.2Very high94.8Very high7 Ų736.7 Ų36.75%0.04920%0.198CC..EExtended strand (participates in β ladder)trans-156.9151.6-179.4-174.80000111.6C256 I286S243-C256 PolarHBondContact O-N 3.34Å; S243-I286 PolarHBondContact OG-N 3.05Å
244I97Very high94.9Very high8 Ų831.5 Ų31.54%0.04118%0.175CC..EExtended strand (participates in β ladder)trans-135141.3175.3-53.7172.4000108.4V201 C203 G214 V220 I241 L253 A254 T255V201-I244 HydrophobicContact CG1-CB 4.13Å; V201-I244 HydrophobicContact CG1-CD1 4.02Å; V201-I244 HydrophobicContact CG1-CG1 3.7Å; C203-I244 WeakPolarHBondContact SG-CG2 3.39Å; G214-I244 VanDerWaalsContact CA-CD1 3.45Å; V220-I244 HydrophobicContact CB-CD1 4.4Å; V220-I244 HydrophobicContact CG1-CD1 3.96Å; V220-I244 HydrophobicContact CG2-CD1 3.68Å; V220-I244 HydrophobicContact CG2-CG1 4.46Å; I241-I244 HydrophobicContact CG2-CD1 3.98Å; I241-I244 HydrophobicContact CG2-CG1 3.58Å; I244-L253 HydrophobicContact CG2-CD1 3.69Å; I244-L253 HydrophobicContact CG2-CD2 4.12Å; I244-L253 HydrophobicContact CG2-CG 3.82Å; I244-A254 VanDerWaalsContact CA-O 3.29Å; I244-A254 WeakPolarHBondContact CA-O 3.09Å; I244-A254 WeakPolarHBondContact CG2-O 3.36Å; I244-T255 HydrophobicContact CG1-CG2 4.29Å; I244-T255 HydrophobicContact CG2-CG2 4.27Å
245A97.1Very high94.9Very high5 Ų531 Ų314%0.04117%0.173CC..EExtended strand (participates in β ladder)trans-135144.9168.900000109.8L253 A254 I286 F288A245-L253 WeakPolarHBondContact O-CA 3.18Å; A245-A254 PolarHBondContact N-O 2.78Å; A245-A254 PolarHBondContact O-N 3.4Å; A245-I286 HydrophobicContact CB-CB 4.23Å; A245-I286 HydrophobicContact CB-CG2 3.87Å; A245-F288 HydrophobicContact CB-CD2 3.66Å; A245-F288 HydrophobicContact CB-CE2 4.22Å; A245-F288 WeakPolarHBondContact O-CE2 3.33Å
246C96.1Very high94.9Very high15 Ų1524.5 Ų24.510%0.10114%0.144CC..EExtended strand (participates in β ladder)trans-109.4142.6172.5-167.30000109Q204 Y252 F288Q204-C246 WeakPolarHBondContact O-CB 3.38Å; C246-Y252 PolarHBondContact SG-O 3.15Å; C246-Y252 VanDerWaalsContact SG-O 3.38Å; C246-F288 WeakPolarHBondContact O-CD2 3.29Å
247D94.8Very high94.9Very high10 Ų1024.5 Ų24.55%0.05314%0.144CC..  trans-68.5154.3175.5178.338.7000111.4P206 T249 G250 Y252 F288P206-D247 WeakPolarHBondContact CG-O 3.43Å; D247-T249 PolarHBondContact O-N 2.57Å; D247-T249 WeakPolarHBondContact OD2-CB 2.97Å; D247-T249 WeakPolarHBondContact OD2-CG2 3.41Å; D247-T249 PolarHBondContact OD2-N 2.87Å; D247-T249 PolarHBondContact OD2-OG1 2.84Å; D247-G250 WeakPolarHBondContact O-CA 3.45Å; D247-G250 PolarHBondContact O-N 2.95Å; D247-Y252 HydrophobicContact CB-CD2 4.36Å; D247-Y252 PolarHBondContact N-O 2.64Å; D247-F288 HydrophobicContact CB-CD1 4.49Å; D247-F288 HydrophobicContact CB-CD2 4.38Å; D247-F288 HydrophobicContact CB-CE2 4.44Å; D247-F288 HydrophobicContact CB-CG 4.39Å
248Q93.1Very high94.9Very high101 Ų10128.4 Ų28.447%0.47217%0.168SC..THydrogen-bonded Turntrans-62.8-30-179.1-173.360.818.800112.2G250Q248-G250 PolarHBondContact O-N 3.45Å
249T91.9Very high94.8Very high87 Ų8725.6 Ų25.653%0.53415%0.148SC..THydrogen-bonded Turntrans-73.4-15.1174.474.10000113.1D247 S251D247-T249 PolarHBondContact O-N 2.57Å; D247-T249 WeakPolarHBondContact OD2-CB 2.97Å; D247-T249 WeakPolarHBondContact OD2-CG2 3.41Å; D247-T249 PolarHBondContact OD2-N 2.87Å; D247-T249 PolarHBondContact OD2-OG1 2.84Å; T249-S251 PolarHBondContact O-N 3.43Å; T249-S251 WeakPolarHBondContact OG1-CB 3.46Å; T249-S251 PolarHBondContact OG1-N 3.45Å; T249-S251 PolarHBondContact OG1-OG 2.9Å; T249-S251 VanDerWaalsContact OG1-OG 3.1Å
250G91.5Very high94.6Very high6 Ų629.9 Ų29.96%0.06216%0.159CC..SBendtrans70.99-173.500000114.9N205 D247 Q248N205-G250 PolarHBondContact ND2-O 3.4Å; N205-G250 WeakPolarHBondContact OD1-CA 3.47Å; D247-G250 WeakPolarHBondContact O-CA 3.45Å; D247-G250 PolarHBondContact O-N 2.95Å; Q248-G250 PolarHBondContact O-N 3.45Å
251S91.1Very high94.4Very high15 Ų1532.2 Ų32.211%0.10516%0.163CC..SBendtrans-82.7-34.1-179.6-57.50000112.5T249 L267T249-S251 PolarHBondContact O-N 3.43Å; T249-S251 WeakPolarHBondContact OG1-CB 3.46Å; T249-S251 PolarHBondContact OG1-N 3.45Å; T249-S251 PolarHBondContact OG1-OG 2.9Å; T249-S251 VanDerWaalsContact OG1-OG 3.1Å; S251-L267 PolarHBondContact O-N 2.99Å
252Y94.2Very high94.2Very high50 Ų5031.8 Ų31.820%0.19616%0.162CC..EExtended strand (participates in β ladder)trans-118.2146.5-172.5-52.4-67.4000112.2C246 D247 W265 L274 H309C246-Y252 PolarHBondContact SG-O 3.15Å; C246-Y252 VanDerWaalsContact SG-O 3.38Å; D247-Y252 HydrophobicContact CB-CD2 4.36Å; D247-Y252 PolarHBondContact N-O 2.64Å; Y252-W265 VanDerWaalsContact CA-O 3.3Å; Y252-W265 WeakPolarHBondContact CA-O 3.42Å; Y252-L274 HydrophobicContact CD1-CD1 3.65Å; Y252-L274 HydrophobicContact CE1-CD1 3.6Å; Y252-H309 HydrophobicContact CD1-CB 4.33Å; Y252-H309 HydrophobicContact CE1-CB 4.25Å
253L96Very high94.1Very high0 Ų031.5 Ų31.50%016%0.157CC..EExtended strand (participates in β ladder)trans-127.7127.8172.8-177.2116.8000109C212 V220 M234 I244 A245 T255 I264 W265 L267C212-L253 HydrophobicContact CB-CD1 4.06Å; V220-L253 HydrophobicContact CG1-CD2 4.47Å; M234-L253 HydrophobicContact CE-CD2 3.88Å; M234-L253 HydrophobicContact SD-CD2 4.01Å; I244-L253 HydrophobicContact CG2-CD1 3.69Å; I244-L253 HydrophobicContact CG2-CD2 4.12Å; I244-L253 HydrophobicContact CG2-CG 3.82Å; A245-L253 WeakPolarHBondContact O-CA 3.18Å; L253-T255 HydrophobicContact CD2-CG2 3.42Å; L253-T255 VanDerWaalsContact CD2-CG2 3.42Å; L253-T255 HydrophobicContact CG-CG2 4.37Å; L253-I264 CarbonylContact O-C 3.54Å; L253-I264 WeakPolarHBondContact O-CA 3.47Å; L253-W265 HydrophobicContact CB-CB 4.32Å; L253-W265 HydrophobicContact CD2-CG 4.43Å; L253-W265 PolarHBondContact N-O 3.17Å; L253-W265 PolarHBondContact O-N 3.37Å; L253-L267 HydrophobicContact CB-CD1 4Å; L253-L267 HydrophobicContact CB-CD2 3.82Å; L253-L267 HydrophobicContact CB-CG 3.91Å; L253-L267 HydrophobicContact CD1-CD1 4.42Å; L253-L267 HydrophobicContact CD1-CD2 4.34Å
254A96Very high94Very high0 Ų031.2 Ų31.20%016%0.155CC..EExtended strand (participates in β ladder)trans-102.3132.4173.800000109.7I244 A245 L262 K263 I264 I286 F288 L294I244-A254 VanDerWaalsContact CA-O 3.29Å; I244-A254 WeakPolarHBondContact CA-O 3.09Å; I244-A254 WeakPolarHBondContact CG2-O 3.36Å; A245-A254 PolarHBondContact N-O 2.78Å; A245-A254 PolarHBondContact O-N 3.4Å; A254-L262 HydrophobicContact CB-CD1 4.14Å; A254-K263 CarbonylContact C-O 3.59Å; A254-K263 WeakPolarHBondContact CA-O 3.47Å; A254-I264 HydrophobicContact CB-CG1 4.35Å; A254-I286 HydrophobicContact CB-CG2 4.37Å; A254-F288 HydrophobicContact CB-CE2 3.49Å; A254-F288 VanDerWaalsContact CB-CE2 3.49Å; A254-F288 HydrophobicContact CB-CZ 3.76Å; A254-L294 HydrophobicContact CB-CD1 3.59Å
255T96.7Very high93.8Very high0 Ų031.4 Ų31.40%016%0.155CC..EExtended strand (participates in β ladder)trans-126.3135.7177.460.20000110V220 A236 H237 I244 L253 L262 K263 W265V220-T255 HydrophobicContact CG2-CG2 3.81Å; A236-T255 HydrophobicContact CB-CG2 4.32Å; H237-T255 WeakPolarHBondContact NE2-CB 3.42Å; H237-T255 PolarHBondContact NE2-O 3.1Å; H237-T255 PolarHBondContact NE2-OG1 2.79Å; I244-T255 HydrophobicContact CG1-CG2 4.29Å; I244-T255 HydrophobicContact CG2-CG2 4.27Å; L253-T255 HydrophobicContact CD2-CG2 3.42Å; L253-T255 VanDerWaalsContact CD2-CG2 3.42Å; L253-T255 HydrophobicContact CG-CG2 4.37Å; T255-L262 CarbonylContact O-C 3.55Å; T255-L262 WeakPolarHBondContact O-CA 3.39Å; T255-K263 PolarHBondContact N-O 2.99Å; T255-K263 PolarHBondContact O-N 3.44Å; T255-W265 PolarHBondContact OG1-NE1 3.29Å
256C94.9Very high93.6Very high0 Ų032.1 Ų32.10%016%0.159CC..EExtended strand (participates in β ladder)trans-114.8140.2165.4-76.80000110.7I241 T242 S243 K261 L262 A283 I286I241-C256 WeakPolarHBondContact CA-O 3.24Å; I241-C256 WeakPolarHBondContact CG2-O 3.48Å; T242-C256 PolarHBondContact N-O 3Å; T242-C256 WeakPolarHBondContact OG1-CB 3.32Å; T242-C256 PolarHBondContact OG1-O 3.34Å; S243-C256 PolarHBondContact O-N 3.34Å; C256-K261 WeakPolarHBondContact CA-O 3.25Å; C256-L262 VanDerWaalsContact SG-CD1 3.52Å; C256-A283 HydrophobicContact CB-CB 4.2Å; C256-I286 HydrophobicContact CB-CD1 3.59Å; C256-I286 HydrophobicContact CB-CG1 4.36Å; C256-I286 WeakPolarHBondContact SG-CD1 3.48Å
257G94.5Very high93.4Very high0 Ų032.1 Ų32.10%016%0.158CC..EExtended strand (participates in β ladder)trans-110.4168.617200000113A240 D259 R260 K261 S282A240-G257 WeakPolarHBondContact O-CA 3.42Å; G257-D259 VanDerWaalsContact C-OD1 3.32Å; G257-D259 VanDerWaalsContact CA-OD1 3.26Å; G257-D259 WeakPolarHBondContact CA-OD1 3.28Å; G257-D259 PolarHBondContact O-N 3.14Å; G257-R260 PolarHBondContact O-N 2.95Å; G257-K261 PolarHBondContact N-O 2.97Å; G257-S282 PolarHBondContact O-OG 3.33Å
258V94.8Very high92.9Very high82 Ų8238.7 Ų38.750%0.49718%0.182SC..THydrogen-bonded Turntrans-63.3-19.2167.8177.30000111.3T239 A240 T242 R260T239-V258 PolarHBondContact OG1-N 3Å; A240-V258 HydrophobicContact CB-CG2 4.16Å; A240-V258 WeakPolarHBondContact O-CG2 3.4Å; A240-V258 PolarHBondContact O-N 3.44Å; T242-V258 HydrophobicContact CG2-CG2 3.6Å; V258-R260 PolarHBondContact O-N 2.94Å
259D92.7Very high92.3Very high33 Ų3338.9 Ų38.918%0.17619%0.194CC..THydrogen-bonded Turntrans-64.9-2.2173.263.7-6.5000114.2H237 P238 T239 G257 K261H237-D259 IonicContact CE1-OD1 3.49Å; H237-D259 IonicContact CE1-OD2 3.94Å; H237-D259 IonicContact CG-OD2 2.88Å; H237-D259 IonicContact ND1-OD1 2.65Å; H237-D259 PolarHBondContact ND1-OD1 3.35Å; H237-D259 IonicContact ND1-OD2 3.78Å; H237-D259 PolarHBondContact ND1-OD2 2.85Å; P238-D259 WeakPolarHBondContact CD-OD2 3.36Å; T239-D259 HydrophobicContact CG2-CB 4.23Å; T239-D259 WeakPolarHBondContact OG1-CB 3.17Å; T239-D259 PolarHBondContact OG1-N 3.31Å; G257-D259 VanDerWaalsContact C-OD1 3.32Å; G257-D259 VanDerWaalsContact CA-OD1 3.26Å; G257-D259 WeakPolarHBondContact CA-OD1 3.28Å; G257-D259 PolarHBondContact O-N 3.14Å; D259-K261 PolarHBondContact O-N 3.31Å; D259-K261 PolarHBondContact OD1-N 2.69Å; D259-K261 VanDerWaalsContact OD1-N 3.09Å; D259-K261 WeakPolarHBondContact OD2-CD 3.33Å
260R91.2Very high91.4Very high139 Ų13937.3 Ų37.353%0.52519%0.186SC..SBendtrans62.232.9-176.9-47.2177.8-72.1-159.1-5112.2G257 V258 L279 S280G257-R260 PolarHBondContact O-N 2.95Å; V258-R260 PolarHBondContact O-N 2.94Å; R260-L279 HydrophobicContact CB-CB 4.44Å; R260-L279 WeakPolarHBondContact CB-O 3.49Å; R260-L279 WeakPolarHBondContact O-CB 3.5Å; R260-L279 PolarHBondContact O-N 3.41Å; R260-S280 WeakPolarHBondContact CD-O 3.49Å
261K91.2Very high91Very high76 Ų7640.2 Ų40.233%0.3320%0.196SC..EExtended strand (participates in β ladder)trans-113.1134.8173.5-64.1175.3168.4-157.60109.1H237 C256 G257 D259 E276 I277H237-K261 PolarHBondContact CE1-O 2.54Å; C256-K261 WeakPolarHBondContact CA-O 3.25Å; G257-K261 PolarHBondContact N-O 2.97Å; D259-K261 PolarHBondContact O-N 3.31Å; D259-K261 PolarHBondContact OD1-N 2.69Å; D259-K261 VanDerWaalsContact OD1-N 3.09Å; D259-K261 WeakPolarHBondContact OD2-CD 3.33Å; K261-E276 WeakPolarHBondContact CD-OE1 3.41Å; K261-E276 WeakPolarHBondContact CE-OE1 3.34Å; K261-E276 IonicContact NZ-OE1 3.6Å; K261-E276 PolarHBondContact NZ-OE1 2.77Å; K261-I277 WeakPolarHBondContact CA-O 3.28Å
262L92.7Very high90.7Very high0 Ų044.2 Ų44.20%022%0.216CC..EExtended strand (participates in β ladder)trans-98.2126.1163.6168.669.8000107.2A254 T255 C256 E276 I277 L279 I286 L294 L296 L305A254-L262 HydrophobicContact CB-CD1 4.14Å; T255-L262 CarbonylContact O-C 3.55Å; T255-L262 WeakPolarHBondContact O-CA 3.39Å; C256-L262 VanDerWaalsContact SG-CD1 3.52Å; L262-E276 CarbonylContact O-C 3.57Å; L262-E276 WeakPolarHBondContact O-CA 3.32Å; L262-I277 HydrophobicContact CB-CB 4.27Å; L262-I277 HydrophobicContact CD2-CB 4.48Å; L262-I277 HydrophobicContact CD2-CD1 4.02Å; L262-I277 PolarHBondContact N-O 3.08Å; L262-I277 PolarHBondContact O-N 2.89Å; L262-L279 HydrophobicContact CB-CD1 4.19Å; L262-L279 HydrophobicContact CB-CG 4.39Å; L262-I286 HydrophobicContact CD1-CD1 4.17Å; L262-L294 HydrophobicContact CD1-CD2 4.01Å; L262-L294 HydrophobicContact CD2-CD2 3.54Å; L262-L294 HydrophobicContact CG-CD2 4.41Å; L262-L296 HydrophobicContact CD1-CD2 4.27Å; L262-L296 HydrophobicContact CD2-CD1 3.95Å; L262-L296 HydrophobicContact CD2-CD2 4.14Å; L262-L305 HydrophobicContact CD2-CD1 3.74Å
263K92.7Very high90.4Very high28 Ų2844.7 Ų44.712%0.12223%0.225CC..EExtended strand (participates in β ladder)trans-120.5143.9174.3-69.7-178.1178.8-176.30110.5A236 A254 T255 W265 S275 E276A236-K263 WeakPolarHBondContact O-CD 3.47Å; A236-K263 PolarHBondContact O-NZ 2.79Å; A254-K263 CarbonylContact C-O 3.59Å; A254-K263 WeakPolarHBondContact CA-O 3.47Å; T255-K263 PolarHBondContact N-O 2.99Å; T255-K263 PolarHBondContact O-N 3.44Å; K263-W265 HydrophobicContact CB-CZ2 4.17Å; K263-W265 HydrophobicContact CD-CZ2 3.71Å; K263-S275 WeakPolarHBondContact CA-O 3.48Å; K263-E276 VanDerWaalsContact CE-OE2 3.32Å; K263-E276 WeakPolarHBondContact CE-OE2 3.5Å; K263-E276 HydrophobicContact CG-CB 4.36Å; K263-E276 HydrophobicContact CG-CG 4.12Å; K263-E276 IonicContact NZ-OE2 2.61Å
264I94.2Very high90Very high1 Ų147.6 Ų47.61%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-118.3137175.6-61.8169.3000109.2L253 A254 P273 L274 S275 P308 H309L253-I264 CarbonylContact O-C 3.54Å; L253-I264 WeakPolarHBondContact O-CA 3.47Å; A254-I264 HydrophobicContact CB-CG1 4.35Å; I264-P273 CarbonylContact O-C 3.6Å; I264-P273 WeakPolarHBondContact O-CA 3.4Å; I264-L274 HydrophobicContact CG2-CD1 4.49Å; I264-L274 PolarHBondContact O-N 3.28Å; I264-S275 WeakPolarHBondContact CB-OG 3.44Å; I264-S275 WeakPolarHBondContact CD1-OG 3.26Å; I264-S275 PolarHBondContact N-O 2.95Å; I264-S275 PolarHBondContact O-N 3.31Å; I264-P308 HydrophobicContact CD1-CB 3.23Å; I264-P308 HydrophobicContact CD1-CG 3.35Å; I264-P308 VanDerWaalsContact CD1-O 3.32Å; I264-P308 WeakPolarHBondContact CD1-O 3.24Å; I264-H309 HydrophobicContact CG2-CB 4.11Å
265W93.7Very high89.6Confident12 Ų1247.6 Ų47.65%0.04524%0.241CC..EExtended strand (participates in β ladder)trans-124.6142.4-170.6-5686.6000110.2M234 A236 Y252 L253 T255 K263 Y271 D272 P273M234-W265 HydrophobicContact CE-CB 3.91Å; M234-W265 HydrophobicContact CE-CD2 3.18Å; M234-W265 HydrophobicContact CE-CE3 3.5Å; M234-W265 HydrophobicContact CE-CG 3.35Å; M234-W265 HydrophobicContact CE-CH2 4.48Å; M234-W265 HydrophobicContact CE-CZ2 4.26Å; M234-W265 HydrophobicContact CE-CZ3 4.12Å; A236-W265 VanDerWaalsContact CA-CZ2 3.41Å; A236-W265 HydrophobicContact CB-CH2 4.49Å; A236-W265 HydrophobicContact CB-CZ2 3.72Å; Y252-W265 VanDerWaalsContact CA-O 3.3Å; Y252-W265 WeakPolarHBondContact CA-O 3.42Å; L253-W265 HydrophobicContact CB-CB 4.32Å; L253-W265 HydrophobicContact CD2-CG 4.43Å; L253-W265 PolarHBondContact N-O 3.17Å; L253-W265 PolarHBondContact O-N 3.37Å; T255-W265 PolarHBondContact OG1-NE1 3.29Å; K263-W265 HydrophobicContact CB-CZ2 4.17Å; K263-W265 HydrophobicContact CD-CZ2 3.71Å; W265-Y271 VanDerWaalsContact CZ3-O 3.26Å; W265-Y271 WeakPolarHBondContact CZ3-O 3.35Å; W265-D272 VanDerWaalsContact CE3-C 3.41Å; W265-P273 HydrophobicContact CD2-CB 4.33Å; W265-P273 HydrophobicContact CE3-CB 4.1Å; W265-P273 HydrophobicContact CH2-CB 3.98Å; W265-P273 HydrophobicContact CH2-CG 4.13Å; W265-P273 HydrophobicContact CZ2-CB 4.16Å; W265-P273 HydrophobicContact CZ3-CB 3.96Å; W265-P273 VanDerWaalsContact CZ3-CD 3.44Å; W265-P273 HydrophobicContact CZ3-CG 4.07Å
266D92.3Very high89.2Confident20 Ų2049.8 Ų49.811%0.10725%0.251CS..EExtended strand (participates in β ladder)trans-87.7121.1166.7-164.1-30.4000109.5R268 Y271 L274D266-R268 WeakPolarHBondContact OD1-CB 3.4Å; D266-R268 PolarHBondContact OD1-N 2.67Å; D266-R268 IonicContact OD1-NE 2.66Å; D266-R268 PolarHBondContact OD1-NE 3.01Å; D266-R268 IonicContact OD1-NH2 3.16Å; D266-R268 IonicContact OD2-CZ 3.75Å; D266-R268 IonicContact OD2-NE 2.99Å; D266-R268 IonicContact OD2-NH2 3.94Å; D266-R268 PolarHBondContact OD2-NH2 2.9Å; D266-R268 VanDerWaalsContact OD2-NH2 3.14Å; D266-Y271 WeakPolarHBondContact O-CA 3.29Å; D266-Y271 PolarHBondContact O-N 3.26Å; D266-L274 HydrophobicContact CB-CD1 3.99Å; D266-L274 HydrophobicContact CB-CD2 4.37Å; D266-L274 HydrophobicContact CB-CG 4.22Å
267L91.4Very high88.9Confident15 Ų1549.9 Ų49.98%0.07925%0.251CS..THydrogen-bonded Turntrans-81.9-12.7-179.8-67-179.3000113.7M222 S251 L253 Y271M222-L267 HydrophobicContact CE-CD2 3.22Å; M222-L267 HydrophobicContact SD-CD2 4.26Å; S251-L267 PolarHBondContact O-N 2.99Å; L253-L267 HydrophobicContact CB-CD1 4Å; L253-L267 HydrophobicContact CB-CD2 3.82Å; L253-L267 HydrophobicContact CB-CG 3.91Å; L253-L267 HydrophobicContact CD1-CD1 4.42Å; L253-L267 HydrophobicContact CD1-CD2 4.34Å; L267-Y271 HydrophobicContact CD2-CD1 4.4Å; L267-Y271 HydrophobicContact CD2-CE1 4.28Å; L267-Y271 WeakPolarHBondContact O-CE1 3.38Å
268R85.5Confident88.5Confident148 Ų14851.5 Ų51.556%0.55826%0.263SS*.THydrogen-bonded Turntrans-89.7-35.3-168.4-60.8172.3-62.1177.94.6113.9D266D266-R268 WeakPolarHBondContact OD1-CB 3.4Å; D266-R268 PolarHBondContact OD1-N 2.67Å; D266-R268 IonicContact OD1-NE 2.66Å; D266-R268 PolarHBondContact OD1-NE 3.01Å; D266-R268 IonicContact OD1-NH2 3.16Å; D266-R268 IonicContact OD2-CZ 3.75Å; D266-R268 IonicContact OD2-NE 2.99Å; D266-R268 IonicContact OD2-NH2 3.94Å; D266-R268 PolarHBondContact OD2-NH2 2.9Å; D266-R268 VanDerWaalsContact OD2-NH2 3.14Å
269S78.8Confident88.1Confident104 Ų10448.2 Ų48.273%0.72724%0.242SC*.THydrogen-bonded Turntrans-127.4-62.3-167.2-161.40000113.9
270S73.9Confident87.6Confident54 Ų5447.9 Ų47.938%0.37824%0.242SC..THydrogen-bonded Turntrans-105-21.9-165.157.40000114.7D272S270-D272 VanDerWaalsContact CB-OD2 3.3Å; S270-D272 WeakPolarHBondContact CB-OD2 3.47Å; S270-D272 PolarHBondContact O-N 3.06Å; S270-D272 VanDerWaalsContact O-N 3.09Å; S270-D272 PolarHBondContact OG-N 3.02Å
271Y82.5Confident87.4Confident67 Ų6745 Ų4526%0.26324%0.237SC..  trans5026.8-167-56.8-77.8000112.7M222 V232 W265 D266 L267M222-Y271 HydrophobicContact CE-CD1 4.13Å; M222-Y271 HydrophobicContact CE-CE1 3.89Å; M222-Y271 HydrophobicContact SD-CE1 4.1Å; V232-Y271 HydrophobicContact CG1-CD1 4.08Å; V232-Y271 HydrophobicContact CG1-CE1 3.94Å; V232-Y271 HydrophobicContact CG1-CE2 4.5Å; V232-Y271 HydrophobicContact CG1-CG 4.41Å; V232-Y271 HydrophobicContact CG2-CE1 4.24Å; V232-Y271 HydrophobicContact CG2-CE2 4.22Å; W265-Y271 VanDerWaalsContact CZ3-O 3.26Å; W265-Y271 WeakPolarHBondContact CZ3-O 3.35Å; D266-Y271 WeakPolarHBondContact O-CA 3.29Å; D266-Y271 PolarHBondContact O-N 3.26Å; L267-Y271 HydrophobicContact CD2-CD1 4.4Å; L267-Y271 HydrophobicContact CD2-CE1 4.28Å; L267-Y271 WeakPolarHBondContact O-CE1 3.38Å
272D85.1Confident87.3Confident99 Ų9942.7 Ų42.753%0.52923%0.23SC..  trans-92.4152.2175.8-71.1-33.2000109.8W265 S270 L274W265-D272 VanDerWaalsContact CE3-C 3.41Å; S270-D272 VanDerWaalsContact CB-OD2 3.3Å; S270-D272 WeakPolarHBondContact CB-OD2 3.47Å; S270-D272 PolarHBondContact O-N 3.06Å; S270-D272 VanDerWaalsContact O-N 3.09Å; S270-D272 PolarHBondContact OG-N 3.02Å; D272-L274 PolarHBondContact O-N 3.43Å
273P87.4Confident87.4Confident60 Ų6042.7 Ų42.739%0.3923%0.23SC..EExtended strand (participates in β ladder)trans-71.9119.4175.329.9-30.8000109.5I264 W265I264-P273 CarbonylContact O-C 3.6Å; I264-P273 WeakPolarHBondContact O-CA 3.4Å; W265-P273 HydrophobicContact CD2-CB 4.33Å; W265-P273 HydrophobicContact CE3-CB 4.1Å; W265-P273 HydrophobicContact CH2-CB 3.98Å; W265-P273 HydrophobicContact CH2-CG 4.13Å; W265-P273 HydrophobicContact CZ2-CB 4.16Å; W265-P273 HydrophobicContact CZ3-CB 3.96Å; W265-P273 VanDerWaalsContact CZ3-CD 3.44Å; W265-P273 HydrophobicContact CZ3-CG 4.07Å
274L87.6Confident87.4Confident61 Ų6143.5 Ų43.532%0.31924%0.239SC..EExtended strand (participates in β ladder)trans-72.7-45.6173.4-68.8173.5000111.4Y252 I264 D266 D272 H309Y252-L274 HydrophobicContact CD1-CD1 3.65Å; Y252-L274 HydrophobicContact CE1-CD1 3.6Å; I264-L274 HydrophobicContact CG2-CD1 4.49Å; I264-L274 PolarHBondContact O-N 3.28Å; D266-L274 HydrophobicContact CB-CD1 3.99Å; D266-L274 HydrophobicContact CB-CD2 4.37Å; D266-L274 HydrophobicContact CB-CG 4.22Å; D272-L274 PolarHBondContact O-N 3.43Å; L274-H309 HydrophobicContact CD1-CB 4.35Å
275S87.7Confident87.5Confident1 Ų143.6 Ų43.61%0.00724%0.24CC..EExtended strand (participates in β ladder)trans-138.5148.6-178.369.50000111.1K263 I264 P308 I311K263-S275 WeakPolarHBondContact CA-O 3.48Å; I264-S275 WeakPolarHBondContact CB-OG 3.44Å; I264-S275 WeakPolarHBondContact CD1-OG 3.26Å; I264-S275 PolarHBondContact N-O 2.95Å; I264-S275 PolarHBondContact O-N 3.31Å; S275-P308 WeakPolarHBondContact CB-O 3.3Å; S275-P308 PolarHBondContact OG-O 3.48Å; S275-I311 WeakPolarHBondContact CB-O 3.25Å
276E89.3Confident87.6Confident46 Ų4643.5 Ų43.522%0.21524%0.24CC..EExtended strand (participates in β ladder)trans-128.1130.6171.6-176.3171150.300106.9K261 L262 K263 T316K261-E276 WeakPolarHBondContact CD-OE1 3.41Å; K261-E276 WeakPolarHBondContact CE-OE1 3.34Å; K261-E276 IonicContact NZ-OE1 3.6Å; K261-E276 PolarHBondContact NZ-OE1 2.77Å; L262-E276 CarbonylContact O-C 3.57Å; L262-E276 WeakPolarHBondContact O-CA 3.32Å; K263-E276 VanDerWaalsContact CE-OE2 3.32Å; K263-E276 WeakPolarHBondContact CE-OE2 3.5Å; K263-E276 HydrophobicContact CG-CB 4.36Å; K263-E276 HydrophobicContact CG-CG 4.12Å; K263-E276 IonicContact NZ-OE2 2.61Å; E276-T316 HydrophobicContact CB-CG2 4.39Å; E276-T316 HydrophobicContact CG-CG2 4.44Å; E276-T316 WeakPolarHBondContact O-CG2 3.23Å
277I87.5Confident87.8Confident1 Ų144 Ų441%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-129.8123.8-177.8-57.6171.3000107K261 L262 L279 L305 P308 I311 I319 L332K261-I277 WeakPolarHBondContact CA-O 3.28Å; L262-I277 HydrophobicContact CB-CB 4.27Å; L262-I277 HydrophobicContact CD2-CB 4.48Å; L262-I277 HydrophobicContact CD2-CD1 4.02Å; L262-I277 PolarHBondContact N-O 3.08Å; L262-I277 PolarHBondContact O-N 2.89Å; I277-L279 HydrophobicContact CG2-CD2 4.39Å; I277-L305 HydrophobicContact CD1-CD1 4.05Å; I277-P308 HydrophobicContact CD1-CB 4.37Å; I277-I311 HydrophobicContact CD1-CD1 3.69Å; I277-I311 HydrophobicContact CG1-CD1 4.47Å; I277-I319 HydrophobicContact CG2-CD1 4.09Å; I277-L332 HydrophobicContact CG2-CD1 4.39Å; I277-L332 HydrophobicContact CG2-CD2 4.37Å
278S86.6Confident88Confident34 Ų3444.2 Ų44.224%0.23824%0.243CC..EExtended strand (participates in β ladder)trans-85.8129.2177.370.60000110.4T316 F320S278-T316 PolarHBondContact OG-O 2.91Å; S278-F320 WeakPolarHBondContact OG-CE2 3.23Å
279L86.5Confident88.5Confident13 Ų1337.4 Ų37.47%0.06822%0.218CC..  trans-103.7150.5-178.8-55.6176.3000110R260 L262 I277 I281 A283 L296 L332R260-L279 HydrophobicContact CB-CB 4.44Å; R260-L279 WeakPolarHBondContact CB-O 3.49Å; R260-L279 WeakPolarHBondContact O-CB 3.5Å; R260-L279 PolarHBondContact O-N 3.41Å; L262-L279 HydrophobicContact CB-CD1 4.19Å; L262-L279 HydrophobicContact CB-CG 4.39Å; I277-L279 HydrophobicContact CG2-CD2 4.39Å; L279-I281 VanDerWaalsContact C-N 3.31Å; L279-I281 VanDerWaalsContact CB-O 3.22Å; L279-I281 WeakPolarHBondContact CB-O 3.39Å; L279-A283 HydrophobicContact CD1-CB 4.1Å; L279-L296 HydrophobicContact CD2-CD1 4.08Å; L279-L332 HydrophobicContact CD2-CD1 3.83Å; L279-L332 HydrophobicContact CD2-CD2 4.28Å; L279-L332 HydrophobicContact CD2-CG 4.49Å
280S82.4Confident89.2Confident26 Ų2634.8 Ų34.818%0.18220%0.195CC..SBendtrans-66.8-37173.6560000111.9R260 R330R260-S280 WeakPolarHBondContact CD-O 3.49Å; S280-R330 PolarHBondContact OG-O 3.24Å
281I86.6Confident90.1Very high78 Ų7836.1 Ų36.140%0.419%0.193SC..SBendtrans-133.4145.5-178.3-58171.9000107.4L279 A283 A298 A299L279-I281 VanDerWaalsContact C-N 3.31Å; L279-I281 VanDerWaalsContact CB-O 3.22Å; L279-I281 WeakPolarHBondContact CB-O 3.39Å; I281-A283 PolarHBondContact O-N 3.1Å; I281-A298 HydrophobicContact CB-CB 4.3Å; I281-A298 HydrophobicContact CG2-CB 4.36Å; I281-A299 HydrophobicContact CD1-CB 4.24Å
282S90.1Very high90.5Very high28 Ų2833.5 Ų33.520%0.19619%0.187CC..  trans-65.3130.1174.9178.80000109.5T242 G257 S284T242-S282 WeakPolarHBondContact CG2-OG 3.23Å; G257-S282 PolarHBondContact O-OG 3.33Å; S282-S284 PolarHBondContact O-N 2.95Å
283A93Very high90.9Very high0 Ų029.2 Ų29.20%016%0.164CC..  trans-68.9129.4177.600000109.9T242 C256 L279 I281 I286 L296 G297T242-A283 WeakPolarHBondContact CB-O 2.77Å; T242-A283 PolarHBondContact OG1-O 2.6Å; C256-A283 HydrophobicContact CB-CB 4.2Å; L279-A283 HydrophobicContact CD1-CB 4.1Å; I281-A283 PolarHBondContact O-N 3.1Å; A283-I286 HydrophobicContact CB-CG1 4.47Å; A283-L296 HydrophobicContact CB-CD2 4.43Å; A283-G297 CarbonylContact C-O 3.57Å; A283-G297 VanDerWaalsContact CA-O 3.28Å; A283-G297 WeakPolarHBondContact CA-O 3.49Å
284S93.7Very high91.3Very high45 Ų4526.4 Ų26.432%0.31515%0.146SC..SBendtrans-73.8-38173.658.50000111.1S282 G297 V345S282-S284 PolarHBondContact O-N 2.95Å; S284-G297 PolarHBondContact N-O 3.13Å; S284-G297 PolarHBondContact OG-O 2.79Å; S284-G297 VanDerWaalsContact OG-O 3.08Å; S284-V345 PolarHBondContact OG-O 3.31Å
285T95.6Very high91.7Very high4 Ų423.5 Ų23.53%0.02513%0.13CC..EExtended strand (participates in β ladder)trans-144.7153.1-17952.90000112.7G297 H346T285-G297 PolarHBondContact N-O 3.36Å; T285-G297 PolarHBondContact O-N 3.39Å; T285-H346 WeakPolarHBondContact CG2-O 3.41Å
286I96.2Very high92.1Very high9 Ų923.6 Ų23.65%0.04613%0.131CC..EExtended strand (participates in β ladder)trans-137.9143179.6-50166.7000108.2S243 A245 A254 C256 L262 A283 L294 A295 L296S243-I286 PolarHBondContact OG-N 3.05Å; A245-I286 HydrophobicContact CB-CB 4.23Å; A245-I286 HydrophobicContact CB-CG2 3.87Å; A254-I286 HydrophobicContact CB-CG2 4.37Å; C256-I286 HydrophobicContact CB-CD1 3.59Å; C256-I286 HydrophobicContact CB-CG1 4.36Å; C256-I286 WeakPolarHBondContact SG-CD1 3.48Å; L262-I286 HydrophobicContact CD1-CD1 4.17Å; A283-I286 HydrophobicContact CB-CG1 4.47Å; I286-L294 HydrophobicContact CG2-CD1 3.46Å; I286-L294 VanDerWaalsContact CG2-CD1 3.46Å; I286-L294 HydrophobicContact CG2-CD2 4.17Å; I286-L294 HydrophobicContact CG2-CG 3.79Å; I286-A295 VanDerWaalsContact CA-O 3.25Å; I286-A295 WeakPolarHBondContact CA-O 3.49Å; I286-L296 HydrophobicContact CB-CD2 4.35Å; I286-L296 HydrophobicContact CD1-CD2 4.45Å; I286-L296 HydrophobicContact CG1-CD2 3.8Å; I286-L296 HydrophobicContact CG2-CD2 3.95Å
287N97Very high92.3Very high30 Ų3021.4 Ų21.416%0.1612%0.121CC..EExtended strand (participates in β ladder)trans-145.9141.8170.7-167.5-116000110.9A295 V348 F350N287-A295 PolarHBondContact N-O 3.39Å; N287-A295 PolarHBondContact O-N 3.04Å; N287-V348 VanDerWaalsContact CB-O 3.32Å; N287-V348 WeakPolarHBondContact CB-O 3.45Å; N287-F350 HydrophobicContact CB-CD2 4.42Å; N287-F350 WeakPolarHBondContact O-CE2 3.41Å; N287-F350 WeakPolarHBondContact OD1-CD2 3.47Å; N287-F350 PolarHBondContact OD1-N 2.73Å
288F96.1Very high92.4Very high21 Ų2122 Ų229%0.09213%0.125CC..EExtended strand (participates in β ladder)trans-91.9141.7170.2-84.8-73.9000109.9A245 C246 D247 A254 L293 L294 P308A245-F288 HydrophobicContact CB-CD2 3.66Å; A245-F288 HydrophobicContact CB-CE2 4.22Å; A245-F288 WeakPolarHBondContact O-CE2 3.33Å; C246-F288 WeakPolarHBondContact O-CD2 3.29Å; D247-F288 HydrophobicContact CB-CD1 4.49Å; D247-F288 HydrophobicContact CB-CD2 4.38Å; D247-F288 HydrophobicContact CB-CE2 4.44Å; D247-F288 HydrophobicContact CB-CG 4.39Å; A254-F288 HydrophobicContact CB-CE2 3.49Å; A254-F288 VanDerWaalsContact CB-CE2 3.49Å; A254-F288 HydrophobicContact CB-CZ 3.76Å; F288-L293 WeakPolarHBondContact CA-O 3.39Å; F288-L294 HydrophobicContact CD1-CB 4.23Å; F288-L294 HydrophobicContact CD1-CD1 3.66Å; F288-L294 HydrophobicContact CD2-CD1 3.8Å; F288-L294 HydrophobicContact CE1-CB 4.08Å; F288-L294 HydrophobicContact CE1-CD1 3.39Å; F288-L294 HydrophobicContact CE1-CG 4.37Å; F288-L294 HydrophobicContact CE2-CD1 3.55Å; F288-L294 HydrophobicContact CG-CD1 3.87Å; F288-L294 HydrophobicContact CZ-CD1 3.35Å; F288-P308 HydrophobicContact CE1-CG 4.5Å
289S95.7Very high92.6Very high4 Ų422.5 Ų22.53%0.02813%0.132CC..  trans-85.1168.9169.776.40000110.9K291 G292 L293 S373S289-K291 PolarHBondContact O-N 3.32Å; S289-K291 PolarHBondContact OG-N 3.33Å; S289-G292 PolarHBondContact O-N 3.44Å; S289-G292 PolarHBondContact OG-N 3.23Å; S289-L293 WeakPolarHBondContact CB-O 3.44Å; S289-L293 PolarHBondContact N-O 3.19Å; S289-L293 WeakPolarHBondContact OG-CA 3.18Å; S289-L293 VanDerWaalsContact OG-CB 3.3Å; S289-L293 WeakPolarHBondContact OG-CB 3.18Å; S289-L293 PolarHBondContact OG-N 3.01Å; S289-L293 PolarHBondContact OG-O 3.28Å; S289-S373 WeakPolarHBondContact CB-O 3.46Å; S289-S373 PolarHBondContact OG-O 2.92Å
290Q92.9Very high92.8Very high50 Ų5023.8 Ų23.823%0.23414%0.139CC..THydrogen-bonded Turntrans-63.5-30.6178.4-70.6175.7-36.700112.5S373 E375Q290-S373 PolarHBondContact N-O 2.88Å; Q290-E375 HydrophobicContact CB-CB 4.3Å
291K91.9Very high93.1Very high81 Ų8123.7 Ų23.735%0.35214%0.137SC..THydrogen-bonded Turntrans-92.96.8179.1-54.7-151.484-176.80114.3P40 S289 S373 A374 E375P40-K291 HydrophobicContact CB-CD 4.21Å; P40-K291 VanDerWaalsContact CG-NZ 3.34Å; S289-K291 PolarHBondContact O-N 3.32Å; S289-K291 PolarHBondContact OG-N 3.33Å; K291-S373 PolarHBondContact N-O 3.42Å; K291-A374 WeakPolarHBondContact CD-O 3.26Å; K291-A374 WeakPolarHBondContact CG-O 3.49Å; K291-E375 WeakPolarHBondContact CE-OE2 3.41Å
292G91.5Very high93.5Very high12 Ų1220 Ų2012%0.12412%0.118CC..SBendtrans88.64.4175.700000116S289S289-G292 PolarHBondContact O-N 3.44Å; S289-G292 PolarHBondContact OG-N 3.23Å
293L94.3Very high93.5Very high10 Ų1019.2 Ų19.25%0.05211%0.111CC..  trans-63.4141.3163.9-71.2142.6000110.4F288 S289 V304 L305 R306 Y336 F350 G372F288-L293 WeakPolarHBondContact CA-O 3.39Å; S289-L293 WeakPolarHBondContact CB-O 3.44Å; S289-L293 PolarHBondContact N-O 3.19Å; S289-L293 WeakPolarHBondContact OG-CA 3.18Å; S289-L293 VanDerWaalsContact OG-CB 3.3Å; S289-L293 WeakPolarHBondContact OG-CB 3.18Å; S289-L293 PolarHBondContact OG-N 3.01Å; S289-L293 PolarHBondContact OG-O 3.28Å; L293-V304 HydrophobicContact CB-CG1 3.92Å; L293-V304 HydrophobicContact CD2-CG1 3.72Å; L293-V304 HydrophobicContact CG-CG1 4.38Å; L293-L305 WeakPolarHBondContact CA-O 3.35Å; L293-R306 HydrophobicContact CD2-CB 3.85Å; L293-R306 HydrophobicContact CD2-CG 4.24Å; L293-Y336 HydrophobicContact CD1-CE1 4.39Å; L293-Y336 HydrophobicContact CD2-CD1 3.52Å; L293-Y336 HydrophobicContact CD2-CE1 3.85Å; L293-Y336 HydrophobicContact CD2-CG 3.87Å; L293-F350 HydrophobicContact CB-CZ 4.34Å; L293-G372 VanDerWaalsContact CD1-C 3.45Å; L293-G372 WeakPolarHBondContact CD1-O 3.38Å
294L95.4Very high93.5Very high0 Ų019.2 Ų19.20%011%0.112CC..EExtended strand (participates in β ladder)trans-113.9117.2-179.4-174.795.4000109.8A254 L262 I286 F288 L296 V304 L305 P308A254-L294 HydrophobicContact CB-CD1 3.59Å; L262-L294 HydrophobicContact CD1-CD2 4.01Å; L262-L294 HydrophobicContact CD2-CD2 3.54Å; L262-L294 HydrophobicContact CG-CD2 4.41Å; I286-L294 HydrophobicContact CG2-CD1 3.46Å; I286-L294 VanDerWaalsContact CG2-CD1 3.46Å; I286-L294 HydrophobicContact CG2-CD2 4.17Å; I286-L294 HydrophobicContact CG2-CG 3.79Å; F288-L294 HydrophobicContact CD1-CB 4.23Å; F288-L294 HydrophobicContact CD1-CD1 3.66Å; F288-L294 HydrophobicContact CD2-CD1 3.8Å; F288-L294 HydrophobicContact CE1-CB 4.08Å; F288-L294 HydrophobicContact CE1-CD1 3.39Å; F288-L294 HydrophobicContact CE1-CG 4.37Å; F288-L294 HydrophobicContact CE2-CD1 3.55Å; F288-L294 HydrophobicContact CG-CD1 3.87Å; F288-L294 HydrophobicContact CZ-CD1 3.35Å; L294-L296 HydrophobicContact CD2-CD2 3.72Å; L294-L296 HydrophobicContact CD2-CG 4.14Å; L294-L296 HydrophobicContact CG-CD2 4.36Å; L294-V304 CarbonylContact O-C 3.58Å; L294-V304 WeakPolarHBondContact O-CA 3.46Å; L294-L305 HydrophobicContact CB-CB 4.45Å; L294-L305 HydrophobicContact CD2-CD1 4.29Å; L294-L305 PolarHBondContact N-O 3Å; L294-L305 PolarHBondContact O-N 3.03Å; L294-P308 HydrophobicContact CB-CG 3.96Å; L294-P308 HydrophobicContact CD2-CG 4.36Å
295A96.2Very high93.4Very high0 Ų017.4 Ų17.40%010%0.098CC..EExtended strand (participates in β ladder)trans-91138.9172.100000111I286 N287 Q303 V304 V348 F350 L357I286-A295 VanDerWaalsContact CA-O 3.25Å; I286-A295 WeakPolarHBondContact CA-O 3.49Å; N287-A295 PolarHBondContact N-O 3.39Å; N287-A295 PolarHBondContact O-N 3.04Å; A295-Q303 CarbonylContact C-O 3.56Å; A295-Q303 WeakPolarHBondContact CA-O 3.29Å; A295-V304 HydrophobicContact CB-CG2 4.32Å; A295-V348 HydrophobicContact CB-CG1 3.63Å; A295-F350 HydrophobicContact CB-CD2 4.39Å; A295-F350 HydrophobicContact CB-CE2 3.46Å; A295-F350 VanDerWaalsContact CB-CE2 3.46Å; A295-F350 HydrophobicContact CB-CZ 3.58Å; A295-L357 HydrophobicContact CB-CD1 3.98Å; A295-L357 HydrophobicContact CB-CD2 3.8Å
296L94.8Very high93.1Very high4 Ų423.2 Ų23.22%0.02112%0.12CC..EExtended strand (participates in β ladder)trans-123.9120.9178.4-59.3174.5000108.7L262 L279 A283 I286 L294 V302 Q303 L305L262-L296 HydrophobicContact CD1-CD2 4.27Å; L262-L296 HydrophobicContact CD2-CD1 3.95Å; L262-L296 HydrophobicContact CD2-CD2 4.14Å; L279-L296 HydrophobicContact CD2-CD1 4.08Å; A283-L296 HydrophobicContact CB-CD2 4.43Å; I286-L296 HydrophobicContact CB-CD2 4.35Å; I286-L296 HydrophobicContact CD1-CD2 4.45Å; I286-L296 HydrophobicContact CG1-CD2 3.8Å; I286-L296 HydrophobicContact CG2-CD2 3.95Å; L294-L296 HydrophobicContact CD2-CD2 3.72Å; L294-L296 HydrophobicContact CD2-CG 4.14Å; L294-L296 HydrophobicContact CG-CD2 4.36Å; L296-V302 CarbonylContact O-C 3.6Å; L296-V302 WeakPolarHBondContact O-CA 3.33Å; L296-Q303 PolarHBondContact N-O 3.15Å; L296-Q303 PolarHBondContact O-N 3.29Å; L296-L305 HydrophobicContact CD1-CD1 3.75Å; L296-L305 HydrophobicContact CD1-CG 4.24Å
297G93.6Very high92.7Very high0 Ų026 Ų260%013%0.134CC..EExtended strand (participates in β ladder)trans-97.7122.5168.200000110A283 S284 T285A283-G297 CarbonylContact C-O 3.57Å; A283-G297 VanDerWaalsContact CA-O 3.28Å; A283-G297 WeakPolarHBondContact CA-O 3.49Å; S284-G297 PolarHBondContact N-O 3.13Å; S284-G297 PolarHBondContact OG-O 2.79Å; S284-G297 VanDerWaalsContact OG-O 3.08Å; T285-G297 PolarHBondContact N-O 3.36Å; T285-G297 PolarHBondContact O-N 3.39Å
298A90.8Very high92.2Very high12 Ų1224.5 Ų24.510%0.09913%0.127CC..EExtended strand (participates in β ladder)trans-138.9115.3176.600000110.1I281 N300 T301I281-A298 HydrophobicContact CB-CB 4.3Å; I281-A298 HydrophobicContact CG2-CB 4.36Å; A298-N300 PolarHBondContact O-N 3.13Å; A298-T301 PolarHBondContact N-O 2.86Å; A298-T301 PolarHBondContact O-N 2.79Å; A298-T301 VanDerWaalsContact O-O 3.11Å; A298-T301 PolarHBondContact O-OG1 2.9Å
299A89.7Confident91.7Very high45 Ų4526.2 Ų26.237%0.37214%0.135SC..THydrogen-bonded Turntrans46.7-114.8-173.900000111.1I281 P344 V345I281-A299 HydrophobicContact CD1-CB 4.24Å; A299-P344 CarbonylContact O-C 3.56Å; A299-P344 WeakPolarHBondContact O-CA 3.46Å; A299-V345 PolarHBondContact O-N 2.82Å
300N91Very high91.1Very high41 Ų4129.9 Ų29.922%0.21916%0.161CC..THydrogen-bonded Turntrans-97.17.4-179.2-70.924.2000113.6A298 Y340 A341 V342 P344A298-N300 PolarHBondContact O-N 3.13Å; N300-Y340 HydrophobicContact CB-CD2 4.27Å; N300-Y340 HydrophobicContact CB-CE2 3.66Å; N300-Y340 PolarHBondContact ND2-OH 3.46Å; N300-Y340 CarbonylContact O-C 3.59Å; N300-A341 WeakPolarHBondContact CB-O 3.33Å; N300-A341 PolarHBondContact O-N 3.44Å; N300-V342 PolarHBondContact ND2-O 2.74Å; N300-P344 VanDerWaalsContact OD1-CA 3.24Å; N300-P344 WeakPolarHBondContact OD1-CA 3.44Å; N300-P344 WeakPolarHBondContact OD1-CG 3.44Å
301T89.8Confident90.3Very high23 Ų2329.3 Ų29.314%0.14116%0.159CC..EExtended strand (participates in β ladder)trans-116135.7-179.657.80000111.5A298 H339 Y340A298-T301 PolarHBondContact N-O 2.86Å; A298-T301 PolarHBondContact O-N 2.79Å; A298-T301 VanDerWaalsContact O-O 3.11Å; A298-T301 PolarHBondContact O-OG1 2.9Å; T301-H339 WeakPolarHBondContact CA-O 3.36Å; T301-Y340 HydrophobicContact CG2-CD2 4.14Å
302V93.2Very high89.2Confident2 Ų228.2 Ų28.21%0.01216%0.16CC..EExtended strand (participates in β ladder)trans-108.9126.5168.2-177.20000107.6L296 H339 V345 L357 V359L296-V302 CarbonylContact O-C 3.6Å; L296-V302 WeakPolarHBondContact O-CA 3.33Å; V302-H339 HydrophobicContact CB-CB 4.4Å; V302-H339 PolarHBondContact N-O 2.96Å; V302-H339 PolarHBondContact O-N 2.97Å; V302-V345 HydrophobicContact CG2-CG1 4.25Å; V302-V345 HydrophobicContact CG2-CG2 3.71Å; V302-L357 HydrophobicContact CG1-CD2 3.7Å; V302-V359 HydrophobicContact CG1-CG2 4.36Å; V302-V359 HydrophobicContact CG2-CG1 3.82Å; V302-V359 HydrophobicContact CG2-CG2 3.96Å
303Q91.4Very high88.1Confident10 Ų1031.1 Ų31.15%0.04718%0.176CC..EExtended strand (participates in β ladder)trans-123.1139.3178.3-66.7175.98.700109A295 L296 V331 L332 L337A295-Q303 CarbonylContact C-O 3.56Å; A295-Q303 WeakPolarHBondContact CA-O 3.29Å; L296-Q303 PolarHBondContact N-O 3.15Å; L296-Q303 PolarHBondContact O-N 3.29Å; Q303-V331 HydrophobicContact CG-CG1 4.35Å; Q303-L332 VanDerWaalsContact OE1-CD1 3.26Å; Q303-L332 VanDerWaalsContact OE1-CG 3.24Å; Q303-L337 CarbonylContact C-O 3.55Å; Q303-L337 WeakPolarHBondContact CA-O 3.5Å
304V93.6Very high86.3Confident1 Ų135 Ų351%0.00621%0.205CC..EExtended strand (participates in β ladder)trans-114.3131.8174.6-174.50000108.3L293 L294 A295 Y336 L337 F350 L357L293-V304 HydrophobicContact CB-CG1 3.92Å; L293-V304 HydrophobicContact CD2-CG1 3.72Å; L293-V304 HydrophobicContact CG-CG1 4.38Å; L294-V304 CarbonylContact O-C 3.58Å; L294-V304 WeakPolarHBondContact O-CA 3.46Å; A295-V304 HydrophobicContact CB-CG2 4.32Å; V304-Y336 HydrophobicContact CB-CD1 4.42Å; V304-Y336 HydrophobicContact CG1-CD1 4.1Å; V304-Y336 WeakPolarHBondContact O-CB 3.22Å; V304-Y336 PolarHBondContact O-N 3.12Å; V304-L337 HydrophobicContact CB-CB 4.09Å; V304-L337 HydrophobicContact CG2-CB 4.22Å; V304-L337 HydrophobicContact CG2-CD2 4.35Å; V304-L337 PolarHBondContact N-O 3.38Å; V304-L337 PolarHBondContact O-N 3.43Å; V304-F350 HydrophobicContact CG1-CZ 4.19Å; V304-L357 HydrophobicContact CG2-CD2 4.01Å
305L91.4Very high84.5Confident6 Ų639 Ų393%0.03123%0.226CC..EExtended strand (participates in β ladder)trans-109.4135.9176.2-62.5177.1000109.6L262 I277 L293 L294 L296 P308 L332L262-L305 HydrophobicContact CD2-CD1 3.74Å; I277-L305 HydrophobicContact CD1-CD1 4.05Å; L293-L305 WeakPolarHBondContact CA-O 3.35Å; L294-L305 HydrophobicContact CB-CB 4.45Å; L294-L305 HydrophobicContact CD2-CD1 4.29Å; L294-L305 PolarHBondContact N-O 3Å; L294-L305 PolarHBondContact O-N 3.03Å; L296-L305 HydrophobicContact CD1-CD1 3.75Å; L296-L305 HydrophobicContact CD1-CG 4.24Å; L305-P308 HydrophobicContact CB-CB 4.17Å; L305-P308 HydrophobicContact CD1-CB 4.34Å; L305-L332 HydrophobicContact CD1-CD1 4.32Å; L305-L332 HydrophobicContact CD2-CD1 3.89Å
306R89.5Confident82.5Confident127 Ų12740.8 Ų40.848%0.47924%0.237SC..SBendtrans-95.3133.8171.2-173.9173.6178.4172.90.5108.9L293 Y336L293-R306 HydrophobicContact CD2-CB 3.85Å; L293-R306 HydrophobicContact CD2-CG 4.24Å; R306-Y336 HydrophobicContact CB-CD2 4.29Å; R306-Y336 HydrophobicContact CB-CG 4.36Å
307D86.8Confident80.1Confident66 Ų6645.2 Ų45.235%0.35327%0.268SS..SBendtrans43.957176.6-58.4-43.1000115.1H309 S310D307-H309 PolarHBondContact O-N 2.83Å; D307-H309 IonicContact OD1-CE1 3.58Å; D307-S310 PolarHBondContact O-N 2.83Å
308P86.1Confident78Confident0 Ų053.3 Ų53.30%030%0.303CS..G310 helixtrans-71-12.4-170.634.3-40.4000113I264 S275 I277 F288 L294 L305 S310I264-P308 HydrophobicContact CD1-CB 3.23Å; I264-P308 HydrophobicContact CD1-CG 3.35Å; I264-P308 VanDerWaalsContact CD1-O 3.32Å; I264-P308 WeakPolarHBondContact CD1-O 3.24Å; S275-P308 WeakPolarHBondContact CB-O 3.3Å; S275-P308 PolarHBondContact OG-O 3.48Å; I277-P308 HydrophobicContact CD1-CB 4.37Å; F288-P308 HydrophobicContact CE1-CG 4.5Å; L294-P308 HydrophobicContact CB-CG 3.96Å; L294-P308 HydrophobicContact CD2-CG 4.36Å; L305-P308 HydrophobicContact CB-CB 4.17Å; L305-P308 HydrophobicContact CD1-CB 4.34Å; P308-S310 VanDerWaalsContact C-N 3.34Å
309H85.3Confident76.2Confident56 Ų5653.2 Ų53.226%0.25930%0.301SS..G310 helixtrans-75.1-21174.561.2-84.8000113Y252 I264 L274 D307 I311Y252-H309 HydrophobicContact CD1-CB 4.33Å; Y252-H309 HydrophobicContact CE1-CB 4.25Å; I264-H309 HydrophobicContact CG2-CB 4.11Å; L274-H309 HydrophobicContact CD1-CB 4.35Å; D307-H309 PolarHBondContact O-N 2.83Å; D307-H309 IonicContact OD1-CE1 3.58Å; H309-I311 VanDerWaalsContact C-N 3.31Å
310S83Confident74.3Confident82 Ų8255.2 Ų55.257%0.57330%0.302SS*.G310 helixtrans-80.1-13.3179.2-55.30000113.1D307 P308 P312D307-S310 PolarHBondContact O-N 2.83Å; P308-S310 VanDerWaalsContact C-N 3.34Å; S310-P312 VanDerWaalsContact O-CD 3.26Å; S310-P312 WeakPolarHBondContact O-CD 3.39Å
311I75.9Confident72.2Confident37 Ų3758.9 Ų58.919%0.1932%0.318CS..SBendtrans-77.5113-176.7-59.9166.9000108.9S275 I277 H309S275-I311 WeakPolarHBondContact CB-O 3.25Å; I277-I311 HydrophobicContact CD1-CD1 3.69Å; I277-I311 HydrophobicContact CG1-CD1 4.47Å; H309-I311 VanDerWaalsContact C-N 3.31Å
312P70.7Confident69.9Low58 Ų5863.3 Ų63.338%0.37734%0.339SS..  trans-68.2148.2178.428-33.3000110.7S310 S314 N315S310-P312 VanDerWaalsContact O-CD 3.26Å; S310-P312 WeakPolarHBondContact O-CD 3.39Å; P312-S314 PolarHBondContact O-N 2.79Å; P312-N315 HydrophobicContact CG-CB 4.49Å; P312-N315 PolarHBondContact O-N 2.87Å; P312-N315 VanDerWaalsContact O-N 3.16Å
313P66.8Low67.6Low73 Ų7365.6 Ų65.647%0.47435%0.351SS..G310 helixtrans-61.5-20.5-175.923.5-33.3000113.8N315 T316P313-N315 VanDerWaalsContact C-N 3.34Å; P313-N315 PolarHBondContact O-N 2.96Å; P313-T316 WeakPolarHBondContact O-CG2 3.33Å; P313-T316 PolarHBondContact O-OG1 2.91Å
314S57.7Low65Low92 Ų9267.6 Ų67.664%0.64337%0.366SS*.G310 helixtrans-72.5-18.9179.2570000114.7P312 T316P312-S314 PolarHBondContact O-N 2.79Å; S314-T316 VanDerWaalsContact C-N 3.32Å; S314-T316 PolarHBondContact O-N 2.8Å
315N57.9Low62.5Low84 Ų8473.3 Ų73.345%0.44940%0.403SS..G310 helixtrans-91.915-176.2-90.1-9000114.3P312 P313 S317P312-N315 HydrophobicContact CG-CB 4.49Å; P312-N315 PolarHBondContact O-N 2.87Å; P312-N315 VanDerWaalsContact O-N 3.16Å; P313-N315 VanDerWaalsContact C-N 3.34Å; P313-N315 PolarHBondContact O-N 2.96Å; N315-S317 PolarHBondContact O-N 3.45Å; N315-S317 VanDerWaalsContact O-N 3.14Å
316T52.7Low60Low38 Ų3880.2 Ų80.223%0.23344%0.44CS..THydrogen-bonded Turntrans-58.1-26.7-175.325.30000115.3E276 S278 P313 S314E276-T316 HydrophobicContact CB-CG2 4.39Å; E276-T316 HydrophobicContact CG-CG2 4.44Å; E276-T316 WeakPolarHBondContact O-CG2 3.23Å; S278-T316 PolarHBondContact OG-O 2.91Å; P313-T316 WeakPolarHBondContact O-CG2 3.33Å; P313-T316 PolarHBondContact O-OG1 2.91Å; S314-T316 VanDerWaalsContact C-N 3.32Å; S314-T316 PolarHBondContact O-N 2.8Å
317S45.7Very low57.8Low97 Ų9776.2 Ų76.268%0.67843%0.43SS*.THydrogen-bonded Turntrans-92.7-17-167.452.90000115.6N315N315-S317 PolarHBondContact O-N 3.45Å; N315-S317 VanDerWaalsContact O-N 3.14Å
318K48.8Very low55.9Low169 Ų16980.7 Ų80.774%0.73545%0.453SS*.SBendtrans-88.50.8-174.6-76.8-172175.4-1750115F320K318-F320 VanDerWaalsContact C-N 3.29Å; K318-F320 PolarHBondContact O-N 3.04Å
319I52.8Low54.7Low11 Ų1185.5 Ų85.56%0.05647%0.472CS..  trans-86.6-1.3-166.3-50173.5000112.5I277 L332 S333I277-I319 HydrophobicContact CG2-CD1 4.09Å; I319-L332 HydrophobicContact CB-CD2 4.24Å; I319-L332 HydrophobicContact CG2-CB 3.49Å; I319-L332 VanDerWaalsContact CG2-CB 3.49Å; I319-L332 HydrophobicContact CG2-CD2 3.41Å; I319-L332 VanDerWaalsContact CG2-CD2 3.41Å; I319-L332 HydrophobicContact CG2-CG 4Å; I319-S333 WeakPolarHBondContact CA-OG 3.42Å; I319-S333 PolarHBondContact O-N 2.87Å
320F49.8Very low53.7Low87 Ų8791.2 Ų91.238%0.38249%0.491SS..BIsolated β-bridgetrans-106.189.5-177.4-65.2-73000112.1S278 K318S278-F320 WeakPolarHBondContact OG-CE2 3.23Å; K318-F320 VanDerWaalsContact C-N 3.29Å; K318-F320 PolarHBondContact O-N 3.04Å
321E47.6Very low52.9Low118 Ų11888.7 Ų88.755%0.55147%0.472SS*.  trans-114.7136.2158-74.4-168.5167.400110.2I323E321-I323 HydrophobicContact CB-CG1 4.44Å; E321-I323 PolarHBondContact O-N 3.09Å; E321-I323 VanDerWaalsContact O-N 3.11Å
322I41.1Very low52.7Low116 Ų11687.3 Ų87.360%0.59547%0.465SS*.  trans-74.896.3171.7-62.8166.6000105.8S324I322-S324 PolarHBondContact O-N 3.29Å
323I45.2Very low52.5Low49 Ų4985.7 Ų85.725%0.25146%0.455SS..  trans-85.4111176.3-54.2175.5000108V51 E321V51-I323 HydrophobicContact CG2-CB 4.35Å; V51-I323 HydrophobicContact CG2-CG2 3.52Å; E321-I323 HydrophobicContact CB-CG1 4.44Å; E321-I323 PolarHBondContact O-N 3.09Å; E321-I323 VanDerWaalsContact O-N 3.11Å
324S37.2Very low52.9Low53 Ų5387.6 Ų87.637%0.37146%0.461SS..  trans93.6131.9176.278.20000118.2I322 N326I322-S324 PolarHBondContact O-N 3.29Å; S324-N326 VanDerWaalsContact C-N 3.25Å; S324-N326 PolarHBondContact O-N 3.35Å
325P40.7Very low54Low120 Ų12083.5 Ų83.578%0.77943%0.433SS*.THydrogen-bonded Turntrans-70.4-12.1-172.726.5-34.2000115.1
326N38Very low55.5Low151 Ų15180.6 Ų80.681%0.80742%0.416SS*.THydrogen-bonded Turntrans-114.95.6-172.7-67.4-21.4000113.8S324S324-N326 VanDerWaalsContact C-N 3.25Å; S324-N326 PolarHBondContact O-N 3.35Å
327V43.2Very low57.2Low44 Ų4479 Ų7927%0.26741%0.405SS..  trans-138.295.1-178.6178.20000106.9R329V327-R329 HydrophobicContact CG1-CB 3.81Å; V327-R329 HydrophobicContact CG1-CG 3.26Å; V327-R329 VanDerWaalsContact CG1-CZ 3.42Å; V327-R329 PolarHBondContact O-N 3.4Å
328N48.5Very low59.2Low159 Ų15976 Ų7685%0.8539%0.385SS*.  trans-65.758.7173.9-76.5-22.4000111.3
329R61.2Low61.1Low101 Ų10169.7 Ų69.738%0.38136%0.358SS..  trans-105.7119.5179-73.9176.3-161.3157.55.6108.8V327 V331V327-R329 HydrophobicContact CG1-CB 3.81Å; V327-R329 HydrophobicContact CG1-CG 3.26Å; V327-R329 VanDerWaalsContact CG1-CZ 3.42Å; V327-R329 PolarHBondContact O-N 3.4Å; R329-V331 HydrophobicContact CB-CG2 3.93Å; R329-V331 PolarHBondContact O-N 3.4Å
330R62.5Low62.9Low177 Ų17773.9 Ų73.967%0.66837%0.374SS*.  trans-83.688.5170.3-67.1-177.8178.8173.4-0.8108.7S280S280-R330 PolarHBondContact OG-O 3.24Å
331V66.3Low64.8Low28 Ų2870 Ų7017%0.1736%0.357CS..  trans-98.7152176-172.70000108.9Q303 R329 S333 A335Q303-V331 HydrophobicContact CG-CG1 4.35Å; R329-V331 HydrophobicContact CB-CG2 3.93Å; R329-V331 PolarHBondContact O-N 3.4Å; V331-S333 PolarHBondContact O-N 3.01Å; V331-A335 HydrophobicContact CG1-CB 4.25Å
332L73.2Confident66.7Low8 Ų869.5 Ų69.54%0.04236%0.362CS..BIsolated β-bridgetrans-69.1127.6170.7-62.9171.6000109.1I277 L279 Q303 L305 I319 N334 A335I277-L332 HydrophobicContact CG2-CD1 4.39Å; I277-L332 HydrophobicContact CG2-CD2 4.37Å; L279-L332 HydrophobicContact CD2-CD1 3.83Å; L279-L332 HydrophobicContact CD2-CD2 4.28Å; L279-L332 HydrophobicContact CD2-CG 4.49Å; Q303-L332 VanDerWaalsContact OE1-CD1 3.26Å; Q303-L332 VanDerWaalsContact OE1-CG 3.24Å; L305-L332 HydrophobicContact CD1-CD1 4.32Å; L305-L332 HydrophobicContact CD2-CD1 3.89Å; I319-L332 HydrophobicContact CB-CD2 4.24Å; I319-L332 HydrophobicContact CG2-CB 3.49Å; I319-L332 VanDerWaalsContact CG2-CB 3.49Å; I319-L332 HydrophobicContact CG2-CD2 3.41Å; I319-L332 VanDerWaalsContact CG2-CD2 3.41Å; I319-L332 HydrophobicContact CG2-CG 4Å; L332-N334 PolarHBondContact O-N 2.83Å; L332-A335 HydrophobicContact CB-CB 4.36Å; L332-A335 VanDerWaalsContact O-CB 3.28Å; L332-A335 WeakPolarHBondContact O-CB 3.4Å; L332-A335 PolarHBondContact O-N 2.89Å; L332-A335 VanDerWaalsContact O-N 3.09Å
333S66Low69.2Low25 Ų2568.9 Ų68.918%0.17535%0.353CS..THydrogen-bonded Turntrans-53.7-39.7-179.863.90000112.5I319 V331 A335I319-S333 WeakPolarHBondContact CA-OG 3.42Å; I319-S333 PolarHBondContact O-N 2.87Å; V331-S333 PolarHBondContact O-N 3.01Å; S333-A335 VanDerWaalsContact C-N 3.29Å; S333-A335 PolarHBondContact O-N 3.22Å
334N75.4Confident71.5Confident113 Ų11369.3 Ų69.360%0.60436%0.359SS*.THydrogen-bonded Turntrans-94.122.6-175.9-61.113.7000112.5L332 Y336L332-N334 PolarHBondContact O-N 2.83Å; N334-Y336 PolarHBondContact O-N 3.1Å
335A81.5Confident74.3Confident5 Ų567.1 Ų67.14%0.04134%0.344CS..  trans-68.5124.7174.600000110.1K45 V331 L332 S333 L337K45-A335 PolarHBondContact NZ-O 3.16Å; V331-A335 HydrophobicContact CG1-CB 4.25Å; L332-A335 HydrophobicContact CB-CB 4.36Å; L332-A335 VanDerWaalsContact O-CB 3.28Å; L332-A335 WeakPolarHBondContact O-CB 3.4Å; L332-A335 PolarHBondContact O-N 2.89Å; L332-A335 VanDerWaalsContact O-N 3.09Å; S333-A335 VanDerWaalsContact C-N 3.29Å; S333-A335 PolarHBondContact O-N 3.22Å; A335-L337 VanDerWaalsContact C-N 3.3Å; A335-L337 PolarHBondContact O-N 3.34Å
336Y87.4Confident76.9Confident23 Ų2365 Ų659%0.0932%0.323CS..SBendtrans-58.7-45.6174.1176.6-110.3000110.8L43 L293 V304 R306 N334 P371L43-Y336 HydrophobicContact CB-CE1 4.32Å; L43-Y336 HydrophobicContact CB-CE2 3.74Å; L43-Y336 VanDerWaalsContact CB-OH 3.28Å; L43-Y336 WeakPolarHBondContact CB-OH 3.2Å; L43-Y336 PolarHBondContact N-OH 3.4Å; L43-Y336 VanDerWaalsContact O-CE2 3.29Å; L43-Y336 WeakPolarHBondContact O-CE2 3.06Å; L293-Y336 HydrophobicContact CD1-CE1 4.39Å; L293-Y336 HydrophobicContact CD2-CD1 3.52Å; L293-Y336 HydrophobicContact CD2-CE1 3.85Å; L293-Y336 HydrophobicContact CD2-CG 3.87Å; V304-Y336 HydrophobicContact CB-CD1 4.42Å; V304-Y336 HydrophobicContact CG1-CD1 4.1Å; V304-Y336 WeakPolarHBondContact O-CB 3.22Å; V304-Y336 PolarHBondContact O-N 3.12Å; R306-Y336 HydrophobicContact CB-CD2 4.29Å; R306-Y336 HydrophobicContact CB-CG 4.36Å; N334-Y336 PolarHBondContact O-N 3.1Å; Y336-P371 VanDerWaalsContact CE1-O 3.28Å; Y336-P371 WeakPolarHBondContact CE1-O 3.46Å; Y336-P371 PolarHBondContact OH-O 2.79Å
337L88.8Confident79.6Confident4 Ų458.3 Ų58.32%0.02129%0.287CS..EExtended strand (participates in β ladder)trans-140.5140.8175.2-177.973.1000109L43 M57 Q303 V304 A335 L369 C370L43-L337 HydrophobicContact CD2-CD1 4.32Å; M57-L337 HydrophobicContact CE-CD1 3.66Å; M57-L337 HydrophobicContact CE-CD2 4.47Å; M57-L337 HydrophobicContact SD-CD1 4.12Å; Q303-L337 CarbonylContact C-O 3.55Å; Q303-L337 WeakPolarHBondContact CA-O 3.5Å; V304-L337 HydrophobicContact CB-CB 4.09Å; V304-L337 HydrophobicContact CG2-CB 4.22Å; V304-L337 HydrophobicContact CG2-CD2 4.35Å; V304-L337 PolarHBondContact N-O 3.38Å; V304-L337 PolarHBondContact O-N 3.43Å; A335-L337 VanDerWaalsContact C-N 3.3Å; A335-L337 PolarHBondContact O-N 3.34Å; L337-L369 WeakPolarHBondContact CD2-O 3.35Å; L337-C370 HydrophobicContact CD2-CB 4.28Å
338S88.3Confident82.2Confident36 Ų3656.3 Ų56.325%0.25228%0.275SS..EExtended strand (participates in β ladder)trans-129.1129.1170.375.90000110.1
339H89.7Confident84.5Confident35 Ų3550 Ų5016%0.16224%0.239CC..EExtended strand (participates in β ladder)trans-128.4138-179.2-178.7-104000110.2Q54 T301 V302 I368Q54-H339 WeakPolarHBondContact CG-CD2 3.38Å; T301-H339 WeakPolarHBondContact CA-O 3.36Å; V302-H339 HydrophobicContact CB-CB 4.4Å; V302-H339 PolarHBondContact N-O 2.96Å; V302-H339 PolarHBondContact O-N 2.97Å; H339-I368 HydrophobicContact CB-CD1 3.85Å
340Y89.7Confident86.2Confident99 Ų9945.8 Ų45.839%0.38822%0.224SC..EExtended strand (participates in β ladder)trans-101.6114.9174.5-178.8-94.8000109.2N300 T301N300-Y340 HydrophobicContact CB-CD2 4.27Å; N300-Y340 HydrophobicContact CB-CE2 3.66Å; N300-Y340 PolarHBondContact ND2-OH 3.46Å; N300-Y340 CarbonylContact O-C 3.59Å; T301-Y340 HydrophobicContact CG2-CD2 4.14Å
341A89.1Confident87.8Confident5 Ų537.4 Ų37.44%0.04119%0.193CC..  trans-84.1140.2171.200000109.8N300 Y343 V345N300-A341 WeakPolarHBondContact CB-O 3.33Å; N300-A341 PolarHBondContact O-N 3.44Å; A341-Y343 WeakPolarHBondContact CB-O 3.4Å; A341-Y343 PolarHBondContact O-N 3.19Å; A341-V345 HydrophobicContact CB-CG2 3.75Å
342V88.9Confident89.1Confident108 Ų10837.1 Ų37.166%0.65519%0.191SC*.SBendtrans-61.6-37177.5179.60000111.1N300N300-V342 PolarHBondContact ND2-O 2.74Å
343Y92.6Very high90.2Very high103 Ų10338.5 Ų38.540%0.40420%0.196SC..SBendtrans-113157.5-178.8-60.2-76.3000111.4A341 V345 A363A341-Y343 WeakPolarHBondContact CB-O 3.4Å; A341-Y343 PolarHBondContact O-N 3.19Å; Y343-V345 PolarHBondContact O-N 2.83Å; Y343-A363 HydrophobicContact CD1-CB 3.78Å; Y343-A363 HydrophobicContact CD2-CB 3.61Å; Y343-A363 HydrophobicContact CE1-CB 3.79Å; Y343-A363 HydrophobicContact CE2-CB 3.62Å; Y343-A363 HydrophobicContact CG-CB 3.68Å
344P94Very high91.5Very high58 Ų5838.4 Ų38.438%0.37719%0.193SC..  trans-57.3135.5175.9-23.532.6000112.2A299 N300 S361 S362A299-P344 CarbonylContact O-C 3.56Å; A299-P344 WeakPolarHBondContact O-CA 3.46Å; N300-P344 VanDerWaalsContact OD1-CA 3.24Å; N300-P344 WeakPolarHBondContact OD1-CA 3.44Å; N300-P344 WeakPolarHBondContact OD1-CG 3.44Å; P344-S361 CarbonylContact O-C 3.57Å; P344-S361 VanDerWaalsContact O-CA 3.22Å; P344-S361 WeakPolarHBondContact O-CA 3.37Å; P344-S362 PolarHBondContact O-N 3.04Å; P344-S362 PolarHBondContact O-OG 2.99Å
345V94.9Very high92.5Very high7 Ų735.3 Ų35.34%0.04218%0.176CC..EExtended strand (participates in β ladder)trans-86123.3-179179.40000109.6S284 A299 V302 A341 Y343 V348 V359S284-V345 PolarHBondContact OG-O 3.31Å; A299-V345 PolarHBondContact O-N 2.82Å; V302-V345 HydrophobicContact CG2-CG1 4.25Å; V302-V345 HydrophobicContact CG2-CG2 3.71Å; A341-V345 HydrophobicContact CB-CG2 3.75Å; Y343-V345 PolarHBondContact O-N 2.83Å; V345-V348 HydrophobicContact CG1-CG2 3.52Å; V345-V359 HydrophobicContact CB-CG1 4.31Å; V345-V359 HydrophobicContact CG1-CG1 3.7Å; V345-V359 HydrophobicContact CG2-CG1 3.71Å
346H94.9Very high93.1Very high76 Ų7635.1 Ų35.135%0.35217%0.174SC..EExtended strand (participates in β ladder)trans-106.2-31.2179-171.7-89.3000112.7P78 T285 G360P78-H346 HydrophobicContact CB-CB 3.73Å; T285-H346 WeakPolarHBondContact CG2-O 3.41Å; H346-G360 PolarHBondContact N-O 3.31Å
347H95.9Very high93.6Very high10 Ų1034 Ų345%0.04617%0.17CC..EExtended strand (participates in β ladder)trans-144.4144.8-179.9-153.3-115.4000111.7I81 G360I81-H347 PolarHBondContact O-CE1 2.95Å; I81-H347 PolarHBondContact O-ND1 3.46Å; H347-G360 PolarHBondContact N-O 2.82Å; H347-G360 VanDerWaalsContact N-O 3.08Å; H347-G360 PolarHBondContact O-N 3.25Å
348V96.7Very high94Very high2 Ų233.8 Ų33.81%0.01217%0.169CC..EExtended strand (participates in β ladder)trans-136.3129177.5-179.90000108.3N287 A295 V345 L357 G358N287-V348 VanDerWaalsContact CB-O 3.32Å; N287-V348 WeakPolarHBondContact CB-O 3.45Å; A295-V348 HydrophobicContact CB-CG1 3.63Å; V345-V348 HydrophobicContact CG1-CG2 3.52Å; V348-L357 HydrophobicContact CG1-CD1 3.31Å; V348-L357 HydrophobicContact CG1-CD2 3.89Å; V348-L357 HydrophobicContact CG1-CG 3.8Å; V348-G358 WeakPolarHBondContact CA-O 3.41Å
349R97.1Very high94.4Very high26 Ų2632.1 Ų32.110%0.09816%0.157CC..EExtended strand (participates in β ladder)trans-141.9128.2179-85.8-96.1165.679.212109.7I81 D82 Y83 K123 E161 G358I81-R349 PolarHBondContact O-NH1 2.86Å; D82-R349 VanDerWaalsContact CG-NH1 3.34Å; D82-R349 IonicContact OD1-CZ 2.92Å; D82-R349 IonicContact OD1-NH1 2.67Å; D82-R349 PolarHBondContact OD1-NH1 2.86Å; Y83-R349 HydrophobicContact CD2-CB 4.05Å; Y83-R349 HydrophobicContact CE2-CB 4.35Å; Y83-R349 WeakPolarHBondContact CE2-O 2.89Å; K123-R349 VanDerWaalsContact NZ-NH1 3.13Å; E161-R349 IonicContact OE1-NH2 2.76Å; E161-R349 PolarHBondContact OE1-NH2 3.4Å; R349-G358 PolarHBondContact N-O 2.77Å; R349-G358 WeakPolarHBondContact O-CA 2.91Å; R349-G358 PolarHBondContact O-N 2.84Å
350F97.3Very high94.7Very high13 Ų1330.4 Ų30.46%0.05715%0.149CC..EExtended strand (participates in β ladder)trans-70.3144168.5-75.5-76.7000110.5N287 L293 A295 V304 L357 C370 S373N287-F350 HydrophobicContact CB-CD2 4.42Å; N287-F350 WeakPolarHBondContact O-CE2 3.41Å; N287-F350 WeakPolarHBondContact OD1-CD2 3.47Å; N287-F350 PolarHBondContact OD1-N 2.73Å; L293-F350 HydrophobicContact CB-CZ 4.34Å; A295-F350 HydrophobicContact CB-CD2 4.39Å; A295-F350 HydrophobicContact CB-CE2 3.46Å; A295-F350 VanDerWaalsContact CB-CE2 3.46Å; A295-F350 HydrophobicContact CB-CZ 3.58Å; V304-F350 HydrophobicContact CG1-CZ 4.19Å; F350-L357 HydrophobicContact CB-CD1 4.5Å; F350-L357 HydrophobicContact CD1-CB 4.23Å; F350-L357 HydrophobicContact CD1-CD1 3.64Å; F350-L357 HydrophobicContact CD1-CG 4.47Å; F350-L357 HydrophobicContact CD2-CD1 4.03Å; F350-L357 HydrophobicContact CE1-CB 4.2Å; F350-L357 HydrophobicContact CE1-CD1 3.74Å; F350-L357 HydrophobicContact CE1-CD2 4.36Å; F350-L357 HydrophobicContact CE1-CG 4.33Å; F350-L357 HydrophobicContact CE2-CD1 4.15Å; F350-L357 HydrophobicContact CG-CD1 3.8Å; F350-L357 HydrophobicContact CZ-CD1 4.02Å; F350-C370 HydrophobicContact CE1-CB 4.29Å; F350-S373 VanDerWaalsContact CD1-CB 3.48Å; F350-S373 VanDerWaalsContact CE1-CB 3.47Å
351C96Very high95Very high2 Ų226.1 Ų26.11%0.01413%0.134CC..PPolyproline II helixtrans-76.5130.2168.6-171.50000109.5Y83 G87 W104 E354 V356Y83-C351 HydrophobicContact CD1-CB 4.2Å; Y83-C351 HydrophobicContact CD2-CB 4.41Å; Y83-C351 HydrophobicContact CE1-CB 4Å; Y83-C351 HydrophobicContact CE2-CB 4.21Å; Y83-C351 HydrophobicContact CG-CB 4.42Å; G87-C351 PolarHBondContact O-SG 3.41Å; W104-C351 HydrophobicContact CZ2-CB 4.38Å; W104-C351 WeakPolarHBondContact CZ2-SG 3.48Å; C351-E354 VanDerWaalsContact O-O 3.12Å; C351-V356 HydrophobicContact CB-CB 4Å; C351-V356 PolarHBondContact N-O 3Å
352P94.8Very high95.3Very high22 Ų2228.2 Ų28.214%0.14315%0.148CC..THydrogen-bonded Turntrans-61.3140.4168.5-2334.2000111.5R85 E354R85-P352 WeakPolarHBondContact O-CB 3.43Å; P352-E354 PolarHBondContact O-N 3.14Å
353Y94.4Very high95.5Very high36 Ų3624.1 Ų24.114%0.14113%0.125CC..THydrogen-bonded Turntrans62-0.2173.9-46.5-65.9000117.3R85 A374 Y378 E383 P385R85-Y353 WeakPolarHBondContact O-CE2 3.5Å; Y353-A374 VanDerWaalsContact C-CB 3.43Å; Y353-Y378 VanDerWaalsContact CD1-CB 3.44Å; Y353-Y378 VanDerWaalsContact CE1-CB 3.5Å; Y353-E383 HydrophobicContact CE2-CB 3.89Å; Y353-E383 WeakPolarHBondContact OH-CB 3.19Å; Y353-P385 HydrophobicContact CD2-CG 3.97Å; Y353-P385 HydrophobicContact CG-CG 4.25Å
354E94.5Very high95.6Very high24 Ų2419.2 Ų19.211%0.11211%0.107CC..SBendtrans-133.1144.4175-57.1-151.3154.400112K68 W104 M105 C351 P352 V356 A374K68-E354 WeakPolarHBondContact CD-OE2 3.43Å; K68-E354 WeakPolarHBondContact CE-OE2 3.3Å; K68-E354 IonicContact NZ-OE1 3.81Å; K68-E354 PolarHBondContact NZ-OE1 2.86Å; K68-E354 IonicContact NZ-OE2 3.88Å; K68-E354 PolarHBondContact NZ-OE2 2.88Å; W104-E354 HydrophobicContact CH2-CB 4.33Å; W104-E354 HydrophobicContact CH2-CG 4.49Å; W104-E354 WeakPolarHBondContact CH2-OE2 3.29Å; W104-E354 HydrophobicContact CZ2-CG 4.42Å; W104-E354 WeakPolarHBondContact CZ2-OE2 3.48Å; M105-E354 VanDerWaalsContact SD-OE1 3.42Å; C351-E354 VanDerWaalsContact O-O 3.12Å; P352-E354 PolarHBondContact O-N 3.14Å; E354-V356 HydrophobicContact CB-CG2 4.44Å; E354-V356 PolarHBondContact O-N 3.23Å; E354-A374 VanDerWaalsContact O-CB 3.24Å; E354-A374 WeakPolarHBondContact O-CB 3.46Å
355D95.3Very high95.7Very high48 Ų4816.7 Ų16.726%0.2579%0.09SC..SBendtrans-7657.5-176.1-81.5-12.4000113.4C370 G372 S373 A374D355-C370 CarbonylContact C-O 3.59Å; D355-C370 WeakPolarHBondContact CB-O 3.49Å; D355-C370 PolarHBondContact O-N 2.73Å; D355-G372 PolarHBondContact OD1-N 3Å; D355-G372 PolarHBondContact OD2-N 3.48Å; D355-S373 WeakPolarHBondContact CA-OG 3.43Å; D355-S373 PolarHBondContact OD1-N 2.92Å; D355-A374 PolarHBondContact OD1-N 2.95Å
356V95.9Very high95.7Very high0 Ų016.9 Ų16.90%09%0.092CC..EExtended strand (participates in β ladder)trans-132.2138-172.7177.10000110.3K68 W104 C351 E354 S367 I368 L369K68-V356 HydrophobicContact CB-CG2 3.97Å; K68-V356 HydrophobicContact CD-CG2 4.11Å; W104-V356 HydrophobicContact CH2-CB 4.34Å; W104-V356 HydrophobicContact CH2-CG1 4.48Å; W104-V356 HydrophobicContact CH2-CG2 4Å; W104-V356 HydrophobicContact CZ3-CG2 4.32Å; C351-V356 HydrophobicContact CB-CB 4Å; C351-V356 PolarHBondContact N-O 3Å; E354-V356 HydrophobicContact CB-CG2 4.44Å; E354-V356 PolarHBondContact O-N 3.23Å; V356-S367 WeakPolarHBondContact CG1-OG 3.45Å; V356-I368 WeakPolarHBondContact CA-O 3.39Å; V356-L369 HydrophobicContact CG2-CD2 4.33Å
357L97.1Very high95.7Very high0 Ų013.3 Ų13.30%08%0.075CC..EExtended strand (participates in β ladder)trans-113.3116.6171.8-176.761000109.4A295 V302 V304 V348 F350 V359 I368 C370A295-L357 HydrophobicContact CB-CD1 3.98Å; A295-L357 HydrophobicContact CB-CD2 3.8Å; V302-L357 HydrophobicContact CG1-CD2 3.7Å; V304-L357 HydrophobicContact CG2-CD2 4.01Å; V348-L357 HydrophobicContact CG1-CD1 3.31Å; V348-L357 HydrophobicContact CG1-CD2 3.89Å; V348-L357 HydrophobicContact CG1-CG 3.8Å; F350-L357 HydrophobicContact CB-CD1 4.5Å; F350-L357 HydrophobicContact CD1-CB 4.23Å; F350-L357 HydrophobicContact CD1-CD1 3.64Å; F350-L357 HydrophobicContact CD1-CG 4.47Å; F350-L357 HydrophobicContact CD2-CD1 4.03Å; F350-L357 HydrophobicContact CE1-CB 4.2Å; F350-L357 HydrophobicContact CE1-CD1 3.74Å; F350-L357 HydrophobicContact CE1-CD2 4.36Å; F350-L357 HydrophobicContact CE1-CG 4.33Å; F350-L357 HydrophobicContact CE2-CD1 4.15Å; F350-L357 HydrophobicContact CG-CD1 3.8Å; F350-L357 HydrophobicContact CZ-CD1 4.02Å; L357-V359 HydrophobicContact CD2-CG2 4.49Å; L357-V359 HydrophobicContact CG-CG2 4.21Å; L357-I368 HydrophobicContact CB-CD1 4.42Å; L357-I368 HydrophobicContact CB-CG1 3.79Å; L357-I368 HydrophobicContact CD2-CD1 4.14Å; L357-I368 HydrophobicContact CD2-CG1 4.42Å; L357-I368 HydrophobicContact CG-CG1 4.37Å; L357-I368 PolarHBondContact N-O 2.8Å; L357-I368 WeakPolarHBondContact O-CG1 3.49Å; L357-I368 PolarHBondContact O-N 3.07Å; L357-C370 HydrophobicContact CB-CB 4.24Å
358G96.9Very high95.7Very high0 Ų012.9 Ų12.90%07%0.073CC..EExtended strand (participates in β ladder)trans-81.6127.9171.300000110.7V348 R349V348-G358 WeakPolarHBondContact CA-O 3.41Å; R349-G358 PolarHBondContact N-O 2.77Å; R349-G358 WeakPolarHBondContact O-CA 2.91Å; R349-G358 PolarHBondContact O-N 2.84Å
359V97Very high95.7Very high0 Ų013.1 Ų13.10%07%0.074CC..EExtended strand (participates in β ladder)trans-122.4114.1-179.2178.30000108.7V302 V345 L357 I365 S366 I368V302-V359 HydrophobicContact CG1-CG2 4.36Å; V302-V359 HydrophobicContact CG2-CG1 3.82Å; V302-V359 HydrophobicContact CG2-CG2 3.96Å; V345-V359 HydrophobicContact CB-CG1 4.31Å; V345-V359 HydrophobicContact CG1-CG1 3.7Å; V345-V359 HydrophobicContact CG2-CG1 3.71Å; L357-V359 HydrophobicContact CD2-CG2 4.49Å; L357-V359 HydrophobicContact CG-CG2 4.21Å; V359-I365 WeakPolarHBondContact O-CA 3.45Å; V359-S366 WeakPolarHBondContact CB-O 3.43Å; V359-S366 WeakPolarHBondContact CB-OG 3.38Å; V359-S366 PolarHBondContact N-O 3.5Å; V359-S366 PolarHBondContact O-N 3.42Å; V359-S366 PolarHBondContact O-OG 3.35Å; V359-I368 HydrophobicContact CG2-CD1 4.24Å; V359-I368 HydrophobicContact CG2-CG1 4.4Å
360G96.5Very high95.6Very high0 Ų011.9 Ų11.90%07%0.07CC..EExtended strand (participates in β ladder)trans-88.9119.2174.100000110H346 H347H346-G360 PolarHBondContact N-O 3.31Å; H347-G360 PolarHBondContact N-O 2.82Å; H347-G360 VanDerWaalsContact N-O 3.08Å; H347-G360 PolarHBondContact O-N 3.25Å
361S95.9Very high95.5Very high8 Ų812.1 Ų12.16%0.0567%0.073CC..EExtended strand (participates in β ladder)trans-114.3173.2-178.175.60000111.5Y79 P344 A363 G364Y79-S361 PolarHBondContact N-O 3.16Å; P344-S361 CarbonylContact O-C 3.57Å; P344-S361 VanDerWaalsContact O-CA 3.22Å; P344-S361 WeakPolarHBondContact O-CA 3.37Å; S361-A363 PolarHBondContact O-N 3.46Å; S361-G364 WeakPolarHBondContact CA-O 3.05Å; S361-G364 PolarHBondContact N-O 3.01Å; S361-G364 PolarHBondContact OG-N 3.14Å; S361-G364 PolarHBondContact OG-O 3.47Å
362S94.7Very high95.3Very high49 Ų4912.4 Ų12.434%0.3438%0.076SC..THydrogen-bonded Turntrans-61.9-23.5176.7-61.90000114.6G77 P344G77-S362 VanDerWaalsContact CA-O 3.26Å; G77-S362 WeakPolarHBondContact CA-O 3.44Å; P344-S362 PolarHBondContact O-N 3.04Å; P344-S362 PolarHBondContact O-OG 2.99Å
363A93.7Very high95.3Very high22 Ų2211.4 Ų11.418%0.1827%0.07CC..THydrogen-bonded Turntrans-127.428.1-175.300000112.8L74 Y343 S361L74-A363 PolarHBondContact N-O 2.85Å; L74-A363 CarbonylContact O-C 3.56Å; L74-A363 WeakPolarHBondContact O-CA 3.44Å; Y343-A363 HydrophobicContact CD1-CB 3.78Å; Y343-A363 HydrophobicContact CD2-CB 3.61Å; Y343-A363 HydrophobicContact CE1-CB 3.79Å; Y343-A363 HydrophobicContact CE2-CB 3.62Å; Y343-A363 HydrophobicContact CG-CB 3.68Å; S361-A363 PolarHBondContact O-N 3.46Å
364G94.2Very high95.2Very high1 Ų19.9 Ų9.91%0.016%0.064CC..EExtended strand (participates in β ladder)trans134.8-154.9174.800000113.4V72 S361V72-G364 CarbonylContact O-C 3.59Å; V72-G364 VanDerWaalsContact O-CA 3.25Å; V72-G364 WeakPolarHBondContact O-CA 3.47Å; S361-G364 WeakPolarHBondContact CA-O 3.05Å; S361-G364 PolarHBondContact N-O 3.01Å; S361-G364 PolarHBondContact OG-N 3.14Å; S361-G364 PolarHBondContact OG-O 3.47Å
365I95.5Very high95.1Very high4 Ų411.9 Ų11.92%0.0217%0.074CC..EExtended strand (participates in β ladder)trans-127.7135.7-170.2-57.8177.1000109D71 V72 Y79 I81 L92 V359D71-I365 CarbonylContact C-O 3.57Å; D71-I365 WeakPolarHBondContact CA-O 3.43Å; V72-I365 PolarHBondContact N-O 3.45Å; V72-I365 PolarHBondContact O-N 2.78Å; Y79-I365 HydrophobicContact CG-CG1 4.48Å; I81-I365 HydrophobicContact CD1-CB 4.13Å; I81-I365 HydrophobicContact CD1-CD1 3.96Å; I81-I365 HydrophobicContact CD1-CG1 3.77Å; I81-I365 HydrophobicContact CD1-CG2 3.47Å; I81-I365 VanDerWaalsContact CD1-CG2 3.47Å; I81-I365 HydrophobicContact CG1-CD1 4.09Å; I81-I365 HydrophobicContact CG1-CG1 4.25Å; L92-I365 HydrophobicContact CB-CD1 3.41Å; L92-I365 VanDerWaalsContact CB-CD1 3.41Å; L92-I365 HydrophobicContact CD1-CD1 4.11Å; L92-I365 HydrophobicContact CD2-CD1 3.56Å; L92-I365 HydrophobicContact CG-CD1 3.87Å; V359-I365 WeakPolarHBondContact O-CA 3.45Å
366S95.4Very high94.9Very high12 Ų1211 Ų118%0.0847%0.07CC..EExtended strand (participates in β ladder)trans-120126.2171.152.20000109.5D71 V359D71-S366 WeakPolarHBondContact OD1-CA 3.33Å; D71-S366 WeakPolarHBondContact OD1-CB 3.33Å; V359-S366 WeakPolarHBondContact CB-O 3.43Å; V359-S366 WeakPolarHBondContact CB-OG 3.38Å; V359-S366 PolarHBondContact N-O 3.5Å; V359-S366 PolarHBondContact O-N 3.42Å; V359-S366 PolarHBondContact O-OG 3.35Å
367S96Very high94.7Very high0 Ų012.7 Ų12.70%08%0.079CC..EExtended strand (participates in β ladder)trans-96.9116.6170.4177.20000108K68 R69 F70 V356K68-S367 WeakPolarHBondContact O-CB 3.43Å; K68-S367 PolarHBondContact O-OG 3.03Å; R69-S367 WeakPolarHBondContact CA-O 3.14Å; R69-S367 WeakPolarHBondContact CG-O 3.48Å; F70-S367 PolarHBondContact N-O 2.82Å; F70-S367 PolarHBondContact O-N 2.92Å; V356-S367 WeakPolarHBondContact CG1-OG 3.45Å
368I95.6Very high94.5Very high1 Ų116.8 Ų16.81%0.00510%0.095CC..EExtended strand (participates in β ladder)trans-115.5150.1-178.471.1174.2000110.9Q54 H339 V356 L357 V359Q54-I368 HydrophobicContact CG-CB 4.49Å; H339-I368 HydrophobicContact CB-CD1 3.85Å; V356-I368 WeakPolarHBondContact CA-O 3.39Å; L357-I368 HydrophobicContact CB-CD1 4.42Å; L357-I368 HydrophobicContact CB-CG1 3.79Å; L357-I368 HydrophobicContact CD2-CD1 4.14Å; L357-I368 HydrophobicContact CD2-CG1 4.42Å; L357-I368 HydrophobicContact CG-CG1 4.37Å; L357-I368 PolarHBondContact N-O 2.8Å; L357-I368 WeakPolarHBondContact O-CG1 3.49Å; L357-I368 PolarHBondContact O-N 3.07Å; V359-I368 HydrophobicContact CG2-CD1 4.24Å; V359-I368 HydrophobicContact CG2-CG1 4.4Å
369L96.1Very high94.3Very high7 Ų721 Ų214%0.03712%0.118CC..EExtended strand (participates in β ladder)trans-78.3134.9177.5-58.1178.7000109.7Q54 M57 V58 S65 K68 R69 L337 V356Q54-L369 PolarHBondContact NE2-O 2.94Å; M57-L369 HydrophobicContact CE-CB 4.38Å; M57-L369 WeakPolarHBondContact CE-O 3.24Å; V58-L369 HydrophobicContact CG2-CD1 4.08Å; S65-L369 WeakPolarHBondContact O-CD2 3.32Å; K68-L369 HydrophobicContact CB-CD2 4.3Å; R69-L369 HydrophobicContact CB-CG 4.25Å; L337-L369 WeakPolarHBondContact CD2-O 3.35Å; V356-L369 HydrophobicContact CG2-CD2 4.33Å
370C95.3Very high94.1Very high0 Ų023 Ų230%013%0.134CC..  trans-138.587.8174.7-167.80000109.1L337 F350 D355 L357 G372 S373L337-C370 HydrophobicContact CD2-CB 4.28Å; F350-C370 HydrophobicContact CE1-CB 4.29Å; D355-C370 CarbonylContact C-O 3.59Å; D355-C370 WeakPolarHBondContact CB-O 3.49Å; D355-C370 PolarHBondContact O-N 2.73Å; L357-C370 HydrophobicContact CB-CB 4.24Å; C370-G372 PolarHBondContact O-N 3.48Å; C370-S373 WeakPolarHBondContact O-CB 3.44Å; C370-S373 PolarHBondContact O-N 2.91Å; C370-S373 PolarHBondContact O-OG 2.92Å
371P94.5Very high93.8Very high19 Ų1928.9 Ų28.912%0.12317%0.165CC..THydrogen-bonded Turntrans-55.4137.2-179.5-25.434.6000111.6L43 M57 Y336 S373L43-P371 HydrophobicContact CB-CB 4.36Å; L43-P371 HydrophobicContact CB-CG 4.46Å; M57-P371 HydrophobicContact SD-CG 4.25Å; Y336-P371 VanDerWaalsContact CE1-O 3.28Å; Y336-P371 WeakPolarHBondContact CE1-O 3.46Å; Y336-P371 PolarHBondContact OH-O 2.79Å; P371-S373 VanDerWaalsContact C-N 3.35Å
372G92.3Very high93.5Very high8 Ų831.8 Ų31.88%0.08218%0.178CC..THydrogen-bonded Turntrans78.410.9176.900000115.9G41 L293 D355 C370G41-G372 WeakPolarHBondContact O-CA 3.5Å; G41-G372 PolarHBondContact O-N 3.37Å; L293-G372 VanDerWaalsContact CD1-C 3.45Å; L293-G372 WeakPolarHBondContact CD1-O 3.38Å; D355-G372 PolarHBondContact OD1-N 3Å; D355-G372 PolarHBondContact OD2-N 3.48Å; C370-G372 PolarHBondContact O-N 3.48Å
373S94.8Very high93.3Very high1 Ų129.6 Ų29.61%0.00716%0.162CC..  trans-80-33.1179.855.90000113.4S289 Q290 K291 F350 D355 C370 P371S289-S373 WeakPolarHBondContact CB-O 3.46Å; S289-S373 PolarHBondContact OG-O 2.92Å; Q290-S373 PolarHBondContact N-O 2.88Å; K291-S373 PolarHBondContact N-O 3.42Å; F350-S373 VanDerWaalsContact CD1-CB 3.48Å; F350-S373 VanDerWaalsContact CE1-CB 3.47Å; D355-S373 WeakPolarHBondContact CA-OG 3.43Å; D355-S373 PolarHBondContact OD1-N 2.92Å; C370-S373 WeakPolarHBondContact O-CB 3.44Å; C370-S373 PolarHBondContact O-N 2.91Å; C370-S373 PolarHBondContact O-OG 2.92Å; P371-S373 VanDerWaalsContact C-N 3.35Å
374A93.1Very high93.3Very high3 Ų329.8 Ų29.83%0.02516%0.16CC..SBendtrans-108.1157.8-174.500000113.7K291 Y353 E354 D355 P376K291-A374 WeakPolarHBondContact CD-O 3.26Å; K291-A374 WeakPolarHBondContact CG-O 3.49Å; Y353-A374 VanDerWaalsContact C-CB 3.43Å; E354-A374 VanDerWaalsContact O-CB 3.24Å; E354-A374 WeakPolarHBondContact O-CB 3.46Å; D355-A374 PolarHBondContact OD1-N 2.95Å; A374-P376 VanDerWaalsContact O-CD 3.31Å; A374-P376 WeakPolarHBondContact O-CD 3.26Å
375E91.5Very high93.2Very high67 Ų6730.1 Ų30.131%0.31316%0.162SC..  trans-78.2115.5172.3-172.757.5-147.900109.2Q290 K291 N377Q290-E375 HydrophobicContact CB-CB 4.3Å; K291-E375 WeakPolarHBondContact CE-OE2 3.41Å; E375-N377 VanDerWaalsContact C-N 3.32Å; E375-N377 PolarHBondContact O-N 2.85Å
376P91Very high93Very high28 Ų2835.7 Ų35.718%0.18219%0.186CC..SBendtrans-72.8-26.8-174.729.5-37.1000112.9V38 P40 A374V38-P376 HydrophobicContact CB-CB 3.95Å; V38-P376 HydrophobicContact CG1-CB 3.6Å; P40-P376 HydrophobicContact CB-CG 4.13Å; A374-P376 VanDerWaalsContact O-CD 3.31Å; A374-P376 WeakPolarHBondContact O-CD 3.26Å
377N92.7Very high92.9Very high37 Ų3735.8 Ų35.820%0.19819%0.188CC..SBendtrans-102.586.1-176.7-58.8-69.4000110.1H36 V38 E375H36-N377 WeakPolarHBondContact CB-ND2 3.33Å; H36-N377 VanDerWaalsContact ND1-CB 3.32Å; H36-N377 WeakPolarHBondContact ND1-CB 3.41Å; V38-N377 PolarHBondContact N-OD1 3.18Å; V38-N377 PolarHBondContact O-ND2 2.93Å; E375-N377 VanDerWaalsContact C-N 3.32Å; E375-N377 PolarHBondContact O-N 2.85Å
378Y92.3Very high92.7Very high85 Ų8541.8 Ų41.833%0.33322%0.22SC..  trans-75.8145.2177.862.4-88.7000112.2Y353 A380 E383 P385 F386Y353-Y378 VanDerWaalsContact CD1-CB 3.44Å; Y353-Y378 VanDerWaalsContact CE1-CB 3.5Å; Y378-A380 HydrophobicContact CD2-CB 4.44Å; Y378-A380 HydrophobicContact CE2-CB 4.18Å; Y378-A380 PolarHBondContact O-N 3.13Å; Y378-E383 WeakPolarHBondContact CD2-O 3.32Å; Y378-P385 HydrophobicContact CD1-CG 4.29Å; Y378-P385 HydrophobicContact CE1-CG 4.43Å; Y378-P385 HydrophobicContact CG-CG 4.35Å; Y378-F386 HydrophobicContact CE1-CE2 4.32Å; Y378-F386 WeakPolarHBondContact OH-CD2 3.35Å
379D92.2Very high92.5Very high89 Ų8948.8 Ų48.848%0.47625%0.251SS..  trans-81.6106.9166.9-176.9-5.5000109.3L381 E382 E383D379-L381 PolarHBondContact O-N 2.99Å; D379-L381 VanDerWaalsContact O-N 3.16Å; D379-L381 WeakPolarHBondContact OD1-CB 3.49Å; D379-L381 PolarHBondContact OD1-N 3.32Å; D379-E382 HydrophobicContact CB-CB 4.16Å; D379-E382 PolarHBondContact O-N 2.58Å; D379-E383 PolarHBondContact O-N 3.2Å; D379-E383 VanDerWaalsContact O-O 3.04Å
380A91.8Very high92.4Very high42 Ų4257 Ų5735%0.34728%0.281SS..THydrogen-bonded Turntrans-56.8-31.6-179.300000112.9Y378 Y391Y378-A380 HydrophobicContact CD2-CB 4.44Å; Y378-A380 HydrophobicContact CE2-CB 4.18Å; Y378-A380 PolarHBondContact O-N 3.13Å; A380-Y391 PolarHBondContact O-OH 3.3Å
381L90.9Very high92.4Very high123 Ų12360 Ų6064%0.64429%0.293SS*.THydrogen-bonded Turntrans-72.3-29.9179-67.2176000112.6D379 Y391D379-L381 PolarHBondContact O-N 2.99Å; D379-L381 VanDerWaalsContact O-N 3.16Å; D379-L381 WeakPolarHBondContact OD1-CB 3.49Å; D379-L381 PolarHBondContact OD1-N 3.32Å; L381-Y391 WeakPolarHBondContact CA-OH 3.48Å
382E90.2Very high92.3Very high69 Ų6962.2 Ų62.232%0.32230%0.299SS..THydrogen-bonded Turntrans-80.3-65.7174.3-164.6-169.9157.600109.5R85 Y165 D379 R399R85-E382 IonicContact CZ-OE1 3.75Å; R85-E382 IonicContact NH2-OE1 3.23Å; R85-E382 PolarHBondContact NH2-OE1 2.79Å; Y165-E382 PolarHBondContact OH-OE1 2.98Å; D379-E382 HydrophobicContact CB-CB 4.16Å; D379-E382 PolarHBondContact O-N 2.58Å; E382-R399 PolarHBondContact O-NH2 3.12Å
383E91Very high92.4Very high3 Ų367 Ų671%0.01432%0.319CS..  trans-140.7126.6-179.6-70.9-69.7175.500110.7R85 Y353 Y378 D379 R395 R399R85-E383 WeakPolarHBondContact CD-OE1 3.3Å; R85-E383 HydrophobicContact CG-CG 3.95Å; R85-E383 WeakPolarHBondContact CG-OE1 3.4Å; R85-E383 IonicContact CZ-OE1 3.14Å; R85-E383 IonicContact NE-OE1 3.93Å; R85-E383 PolarHBondContact NE-OE1 2.87Å; Y353-E383 HydrophobicContact CE2-CB 3.89Å; Y353-E383 WeakPolarHBondContact OH-CB 3.19Å; Y378-E383 WeakPolarHBondContact CD2-O 3.32Å; D379-E383 PolarHBondContact O-N 3.2Å; D379-E383 VanDerWaalsContact O-O 3.04Å; E383-R395 IonicContact OE2-CZ 3.4Å; E383-R395 IonicContact OE2-NH1 3.54Å; E383-R395 PolarHBondContact OE2-NH1 3.28Å; E383-R399 IonicContact OE1-CZ 2.72Å; E383-R399 IonicContact OE1-NH1 2.75Å; E383-R399 PolarHBondContact OE1-NH1 3.29Å; E383-R399 IonicContact OE1-NH2 3.23Å; E383-R399 PolarHBondContact OE1-NH2 3.44Å; E383-R399 IonicContact OE2-CZ 3.16Å; E383-R399 IonicContact OE2-NH1 2.78Å; E383-R399 IonicContact OE2-NH2 3.06Å; E383-R399 PolarHBondContact OE2-NH2 3.44Å
384N92.7Very high92.4Very high27 Ų2771.6 Ų71.614%0.14434%0.341CS..  trans-116.2115.9177.3-176.3-3.4000109.6F386 A387 Y391N384-F386 PolarHBondContact O-N 2.97Å; N384-F386 WeakPolarHBondContact OD1-CA 3.17Å; N384-F386 PolarHBondContact OD1-N 3.38Å; N384-A387 HydrophobicContact CB-CB 4.24Å; N384-A387 WeakPolarHBondContact O-CB 3.49Å; N384-A387 PolarHBondContact O-N 2.86Å; N384-Y391 HydrophobicContact CB-CD1 4.4Å; N384-Y391 HydrophobicContact CB-CE1 3.8Å
385P92Very high92.5Very high8 Ų872.5 Ų72.55%0.05234%0.343CS..THydrogen-bonded Turntrans-61.8-28173.8-22.333.2000113.5N86 Y353 Y378N86-P385 WeakPolarHBondContact O-CB 3.48Å; N86-P385 WeakPolarHBondContact O-CG 3.19Å; Y353-P385 HydrophobicContact CD2-CG 3.97Å; Y353-P385 HydrophobicContact CG-CG 4.25Å; Y378-P385 HydrophobicContact CD1-CG 4.29Å; Y378-P385 HydrophobicContact CE1-CG 4.43Å; Y378-P385 HydrophobicContact CG-CG 4.35Å
386F91.8Very high92.5Very high120 Ų12071.7 Ų71.753%0.52634%0.339SS..THydrogen-bonded Turntrans-104.231-176.8-52.4-74.9000112.4Y378 N384 N388Y378-F386 HydrophobicContact CE1-CE2 4.32Å; Y378-F386 WeakPolarHBondContact OH-CD2 3.35Å; N384-F386 PolarHBondContact O-N 2.97Å; N384-F386 WeakPolarHBondContact OD1-CA 3.17Å; N384-F386 PolarHBondContact OD1-N 3.38Å; F386-N388 PolarHBondContact O-N 2.96Å
387A91.9Very high92.8Very high15 Ų1574.5 Ų74.512%0.12436%0.356CS..  trans-65.6120.6-176.400000113.5N384 Y391 R392N384-A387 HydrophobicContact CB-CB 4.24Å; N384-A387 WeakPolarHBondContact O-CB 3.49Å; N384-A387 PolarHBondContact O-N 2.86Å; A387-Y391 HydrophobicContact CB-CD1 3.68Å; A387-Y391 HydrophobicContact CB-CE1 4.37Å; A387-R392 HydrophobicContact CB-CG 3.67Å
388N92.6Very high92.9Very high126 Ų12678.2 Ų78.267%0.67437%0.37SS*.  trans-68.7160.2169.9-71.5-12.4000112F386 R390 Y391 R392F386-N388 PolarHBondContact O-N 2.96Å; N388-R390 VanDerWaalsContact C-N 3.33Å; N388-R390 PolarHBondContact O-N 3.2Å; N388-Y391 WeakPolarHBondContact O-CB 3.3Å; N388-Y391 PolarHBondContact O-N 3.26Å; N388-Y391 VanDerWaalsContact O-N 3.09Å; N388-R392 WeakPolarHBondContact O-CG 3.45Å; N388-R392 PolarHBondContact O-N 2.86Å
389K91.8Very high93Very high147 Ų14776.2 Ų76.264%0.63936%0.362SS*.Hα-helixtrans-53.5-45.9-179.7-172.7178.1179.7179.80113.2R392 Q393K389-R392 PolarHBondContact O-N 2.94Å; K389-Q393 WeakPolarHBondContact O-CG 3.06Å; K389-Q393 PolarHBondContact O-N 3.46Å; K389-Q393 VanDerWaalsContact O-N 3.15Å
390R94.7Very high93.2Very high181 Ų18176 Ų7668%0.68336%0.361SS*.Hα-helixtrans-60.5-46.2177.1-179.1178.8173.5174.11.1111.9N388 R392 Q393 E394N388-R390 VanDerWaalsContact C-N 3.33Å; N388-R390 PolarHBondContact O-N 3.2Å; R390-R392 VanDerWaalsContact C-N 3.3Å; R390-R392 PolarHBondContact O-N 3.25Å; R390-Q393 PolarHBondContact O-N 3.25Å; R390-E394 IonicContact CZ-OE1 3.54Å; R390-E394 IonicContact NE-OE1 3.62Å; R390-E394 PolarHBondContact NE-OE1 2.86Å; R390-E394 IonicContact NH2-OE1 3.33Å; R390-E394 PolarHBondContact NH2-OE1 3.04Å; R390-E394 PolarHBondContact O-N 2.94Å
391Y93.9Very high93.4Very high61 Ų6180.4 Ų80.424%0.23938%0.378CS..Hα-helixtrans-59.1-42.2177.7-175.4-100.2000111.7A380 L381 N384 A387 N388 Q393 E394 R395A380-Y391 PolarHBondContact O-OH 3.3Å; L381-Y391 WeakPolarHBondContact CA-OH 3.48Å; N384-Y391 HydrophobicContact CB-CD1 4.4Å; N384-Y391 HydrophobicContact CB-CE1 3.8Å; A387-Y391 HydrophobicContact CB-CD1 3.68Å; A387-Y391 HydrophobicContact CB-CE1 4.37Å; N388-Y391 WeakPolarHBondContact O-CB 3.3Å; N388-Y391 PolarHBondContact O-N 3.26Å; N388-Y391 VanDerWaalsContact O-N 3.09Å; Y391-Q393 PolarHBondContact O-N 2.89Å; Y391-E394 PolarHBondContact O-N 2.68Å; Y391-R395 HydrophobicContact CE1-CB 4.46Å; Y391-R395 WeakPolarHBondContact O-CB 3.4Å; Y391-R395 PolarHBondContact O-N 3.16Å
392R93Very high93.7Very high66 Ų6679.6 Ų79.625%0.24937%0.374CS..Hα-helixtrans-61.9-42.4177.7-67.4-172.7-71.2156.3-8.2112.7E128 A387 N388 K389 R390 E396E128-R392 WeakPolarHBondContact OE1-CD 3.4Å; E128-R392 IonicContact OE1-CZ 2.83Å; E128-R392 VanDerWaalsContact OE1-CZ 3.25Å; E128-R392 IonicContact OE1-NE 3.25Å; E128-R392 PolarHBondContact OE1-NE 3.43Å; E128-R392 IonicContact OE1-NH1 2.77Å; E128-R392 PolarHBondContact OE1-NH1 3.16Å; A387-R392 HydrophobicContact CB-CG 3.67Å; N388-R392 WeakPolarHBondContact O-CG 3.45Å; N388-R392 PolarHBondContact O-N 2.86Å; K389-R392 PolarHBondContact O-N 2.94Å; R390-R392 VanDerWaalsContact C-N 3.3Å; R390-R392 PolarHBondContact O-N 3.25Å; R392-E396 WeakPolarHBondContact O-CB 3.44Å; R392-E396 PolarHBondContact O-N 3.09Å
393Q94Very high94Very high108 Ų10878.8 Ų78.851%0.50537%0.369SS..Hα-helixtrans-64-48.6177.2-69.5172.3-25.400111.6K389 R390 Y391 R395 E396 V397K389-Q393 WeakPolarHBondContact O-CG 3.06Å; K389-Q393 PolarHBondContact O-N 3.46Å; K389-Q393 VanDerWaalsContact O-N 3.15Å; R390-Q393 PolarHBondContact O-N 3.25Å; Y391-Q393 PolarHBondContact O-N 2.89Å; Q393-R395 VanDerWaalsContact C-N 3.35Å; Q393-R395 PolarHBondContact O-N 3.2Å; Q393-E396 PolarHBondContact O-N 3.09Å; Q393-V397 WeakPolarHBondContact O-CG2 3.44Å; Q393-V397 PolarHBondContact O-N 3.45Å; Q393-V397 VanDerWaalsContact O-N 3.15Å
394E95Very high94.2Very high99 Ų9981.8 Ų81.846%0.46339%0.385SS..Hα-helixtrans-63.4-41.9178.4-69.8175-176.200111.5R390 Y391 V397 K398R390-E394 IonicContact CZ-OE1 3.54Å; R390-E394 IonicContact NE-OE1 3.62Å; R390-E394 PolarHBondContact NE-OE1 2.86Å; R390-E394 IonicContact NH2-OE1 3.33Å; R390-E394 PolarHBondContact NH2-OE1 3.04Å; R390-E394 PolarHBondContact O-N 2.94Å; Y391-E394 PolarHBondContact O-N 2.68Å; E394-V397 PolarHBondContact O-N 3.01Å; E394-K398 WeakPolarHBondContact O-CB 3.08Å; E394-K398 PolarHBondContact O-N 2.81Å
395R94.5Very high94.3Very high22 Ų2283.1 Ų83.18%0.08340%0.395CS..Hα-helixtrans-62.6-42176.9-177.8-179.869.3172.2-4112.2E383 Y391 Q393 K398 R399E383-R395 IonicContact OE2-CZ 3.4Å; E383-R395 IonicContact OE2-NH1 3.54Å; E383-R395 PolarHBondContact OE2-NH1 3.28Å; Y391-R395 HydrophobicContact CE1-CB 4.46Å; Y391-R395 WeakPolarHBondContact O-CB 3.4Å; Y391-R395 PolarHBondContact O-N 3.16Å; Q393-R395 VanDerWaalsContact C-N 3.35Å; Q393-R395 PolarHBondContact O-N 3.2Å; R395-K398 PolarHBondContact O-N 2.87Å; R395-R399 WeakPolarHBondContact O-CB 3.18Å; R395-R399 WeakPolarHBondContact O-CG 3.33Å; R395-R399 PolarHBondContact O-N 3.37Å
396E93.3Very high94.4Very high49 Ų4986.8 Ų86.823%0.22941%0.408CS..Hα-helixtrans-59.9-52176.1173.7178.3-152.900111.2H126 Q127 R392 Q393 K398 R399 L400H126-E396 IonicContact CD2-OE1 3.45Å; H126-E396 PolarHBondContact CD2-OE1 3.12Å; H126-E396 IonicContact NE2-OE1 3.03Å; H126-E396 PolarHBondContact NE2-OE1 3.18Å; Q127-E396 PolarHBondContact NE2-OE1 3.48Å; Q127-E396 PolarHBondContact NE2-OE2 2.68Å; R392-E396 WeakPolarHBondContact O-CB 3.44Å; R392-E396 PolarHBondContact O-N 3.09Å; Q393-E396 PolarHBondContact O-N 3.09Å; E396-K398 VanDerWaalsContact C-N 3.27Å; E396-K398 PolarHBondContact O-N 3.13Å; E396-R399 PolarHBondContact O-N 3.33Å; E396-L400 WeakPolarHBondContact O-CB 3.45Å; E396-L400 PolarHBondContact O-N 3.49Å
397V95.8Very high94.4Very high87 Ų8784.8 Ų84.853%0.52741%0.406SS..Hα-helixtrans-58.2-44.2179.3174.90000110.1Q393 E394 L400 L401Q393-V397 WeakPolarHBondContact O-CG2 3.44Å; Q393-V397 PolarHBondContact O-N 3.45Å; Q393-V397 VanDerWaalsContact O-N 3.15Å; E394-V397 PolarHBondContact O-N 3.01Å; V397-L400 PolarHBondContact O-N 3.42Å; V397-L401 HydrophobicContact CG1-CD1 4.21Å; V397-L401 WeakPolarHBondContact O-CG 3.46Å; V397-L401 PolarHBondContact O-N 2.87Å
398K95.4Very high94.5Very high116 Ų11688.7 Ų88.750%0.50442%0.423SS..Hα-helixtrans-59.9-47.9177-173.4178.4178.9-1740112.2E394 R395 E396 L400 L401 D402E394-K398 WeakPolarHBondContact O-CB 3.08Å; E394-K398 PolarHBondContact O-N 2.81Å; R395-K398 PolarHBondContact O-N 2.87Å; E396-K398 VanDerWaalsContact C-N 3.27Å; E396-K398 PolarHBondContact O-N 3.13Å; K398-L400 VanDerWaalsContact C-N 3.27Å; K398-L400 PolarHBondContact O-N 2.85Å; K398-L401 PolarHBondContact O-N 2.75Å; K398-D402 WeakPolarHBondContact O-CB 3.45Å; K398-D402 PolarHBondContact O-N 2.85Å
399R95.1Very high94.6Very high42 Ų4282.8 Ų82.816%0.15839%0.391CS..Hα-helixtrans-61.9-35.9178-75.8-177.9-173.8-179.65112.8F167 E382 E383 R395 E396 D402 K403F167-R399 HydrophobicContact CE2-CB 3.9Å; F167-R399 WeakPolarHBondContact CE2-O 3.46Å; F167-R399 HydrophobicContact CZ-CB 3.77Å; E382-R399 PolarHBondContact O-NH2 3.12Å; E383-R399 IonicContact OE1-CZ 2.72Å; E383-R399 IonicContact OE1-NH1 2.75Å; E383-R399 PolarHBondContact OE1-NH1 3.29Å; E383-R399 IonicContact OE1-NH2 3.23Å; E383-R399 PolarHBondContact OE1-NH2 3.44Å; E383-R399 IonicContact OE2-CZ 3.16Å; E383-R399 IonicContact OE2-NH1 2.78Å; E383-R399 IonicContact OE2-NH2 3.06Å; E383-R399 PolarHBondContact OE2-NH2 3.44Å; R395-R399 WeakPolarHBondContact O-CB 3.18Å; R395-R399 WeakPolarHBondContact O-CG 3.33Å; R395-R399 PolarHBondContact O-N 3.37Å; E396-R399 PolarHBondContact O-N 3.33Å; R399-D402 CarbonylContact O-C 3.47Å; R399-D402 PolarHBondContact O-N 3.44Å; R399-K403 PolarHBondContact O-N 3.37Å
400L95.5Very high94.7Very high86 Ų8676.7 Ų76.745%0.4537%0.367SS..Hα-helixtrans-69.6-36.9178.4-170.7140.5000111.6F167 E396 V397 K398 K403F167-L400 HydrophobicContact CZ-CB 4.36Å; E396-L400 WeakPolarHBondContact O-CB 3.45Å; E396-L400 PolarHBondContact O-N 3.49Å; V397-L400 PolarHBondContact O-N 3.42Å; K398-L400 VanDerWaalsContact C-N 3.27Å; K398-L400 PolarHBondContact O-N 2.85Å; L400-K403 VanDerWaalsContact O-CB 3.25Å; L400-K403 WeakPolarHBondContact O-CB 3.38Å; L400-K403 PolarHBondContact O-N 3.3Å
401L97Very high94.4Very high134 Ų13470.5 Ų70.570%0.70235%0.347SS*.Hα-helixtrans-68.9-39.7172.6-68.1173.4000112.3V397 K398 K403V397-L401 HydrophobicContact CG1-CD1 4.21Å; V397-L401 WeakPolarHBondContact O-CG 3.46Å; V397-L401 PolarHBondContact O-N 2.87Å; K398-L401 PolarHBondContact O-N 2.75Å; L401-K403 PolarHBondContact O-N 3.27Å
402D96.1Very high94Very high106 Ų10674.7 Ų74.757%0.56737%0.367SS*.THydrogen-bonded Turntrans-84.310.3178.9-67.3-21.3000113K398 R399 I404K398-D402 WeakPolarHBondContact O-CB 3.45Å; K398-D402 PolarHBondContact O-N 2.85Å; R399-D402 CarbonylContact O-C 3.47Å; R399-D402 PolarHBondContact O-N 3.44Å; D402-I404 PolarHBondContact O-N 3.29Å
403K96Very high93.4Very high51 Ų5176.3 Ų76.322%0.22239%0.386CS..PPolyproline II helixtrans-57.9123.5-176.5176.1-173.2169.6-164.40111H166 F167 D182 S184 R399 L400 L401H166-K403 WeakPolarHBondContact O-CE 3.42Å; F167-K403 HydrophobicContact CB-CD 4.26Å; F167-K403 HydrophobicContact CD2-CB 4.31Å; F167-K403 HydrophobicContact CD2-CD 4.37Å; F167-K403 HydrophobicContact CD2-CG 4.03Å; F167-K403 HydrophobicContact CG-CD 4.5Å; D182-K403 VanDerWaalsContact CG-NZ 3.27Å; D182-K403 IonicContact OD1-NZ 2.73Å; D182-K403 PolarHBondContact OD1-NZ 3.28Å; D182-K403 VanDerWaalsContact OD1-NZ 3.15Å; D182-K403 IonicContact OD2-NZ 2.96Å; D182-K403 PolarHBondContact OD2-NZ 2.89Å; S184-K403 PolarHBondContact OG-NZ 2.87Å; R399-K403 PolarHBondContact O-N 3.37Å; L400-K403 VanDerWaalsContact O-CB 3.25Å; L400-K403 WeakPolarHBondContact O-CB 3.38Å; L400-K403 PolarHBondContact O-N 3.3Å; L401-K403 PolarHBondContact O-N 3.27Å
404I94.9Very high92.8Very high66 Ų6675.6 Ų75.634%0.33838%0.384SS..PPolyproline II helixtrans-83.4125.3179.1-54.5177.3000109.2Y165 H166 D402 M408Y165-I404 PolarHBondContact O-N 2.86Å; H166-I404 WeakPolarHBondContact CA-O 3.39Å; H166-I404 VanDerWaalsContact CE1-CG2 3.48Å; H166-I404 WeakPolarHBondContact CE1-CG2 3.35Å; H166-I404 PolarHBondContact ND1-O 3.14Å; D402-I404 PolarHBondContact O-N 3.29Å; I404-M408 HydrophobicContact CG2-CB 3.92Å; I404-M408 HydrophobicContact CG2-CG 4.45Å; I404-M408 HydrophobicContact CG2-SD 3.84Å
405P94.9Very high92.2Very high55 Ų5576.5 Ų76.536%0.35740%0.397SS..PPolyproline II helixtrans-65145.8179.426.9-34.2000111.6T407 M408P405-T407 PolarHBondContact O-N 2.91Å; P405-T407 VanDerWaalsContact O-N 3.09Å; P405-M408 HydrophobicContact CG-CE 3.68Å; P405-M408 HydrophobicContact CG-CG 3.94Å; P405-M408 HydrophobicContact CG-SD 3.76Å; P405-M408 WeakPolarHBondContact O-CB 3.33Å; P405-M408 PolarHBondContact O-N 3.41Å
406Y94.4Very high91.6Very high86 Ų8679.2 Ų79.234%0.33743%0.431SS..G310 helixtrans-59-25-178.472.2-90.5000113.5V189 P225 M408 I409V189-Y406 HydrophobicContact CG1-CD1 3.46Å; V189-Y406 VanDerWaalsContact CG1-CD1 3.46Å; V189-Y406 HydrophobicContact CG1-CD2 3.68Å; V189-Y406 HydrophobicContact CG1-CE1 3.3Å; V189-Y406 HydrophobicContact CG1-CE2 3.52Å; V189-Y406 HydrophobicContact CG1-CG 3.65Å; V189-Y406 HydrophobicContact CG2-CD1 4.45Å; P225-Y406 HydrophobicContact CB-CD2 4.06Å; P225-Y406 HydrophobicContact CG-CD2 4.16Å; Y406-M408 PolarHBondContact O-N 3.49Å; Y406-I409 WeakPolarHBondContact O-CB 3.11Å; Y406-I409 PolarHBondContact O-N 3.24Å; Y406-I409 VanDerWaalsContact O-N 3.13Å
407T93.4Very high91.2Very high77 Ų7783.4 Ų83.447%0.47245%0.451SS..G310 helixtrans-64.8-18.4178.157.20000113.2S226 P405S226-T407 WeakPolarHBondContact OG-CA 3.23Å; P405-T407 PolarHBondContact O-N 2.91Å; P405-T407 VanDerWaalsContact O-N 3.09Å
408M93.7Very high90.7Very high97 Ų9784 Ų8448%0.47846%0.455SS..G310 helixtrans-87.9-3.5177.6-67.6-179-17500113.5I404 P405 Y406 S410 V415I404-M408 HydrophobicContact CG2-CB 3.92Å; I404-M408 HydrophobicContact CG2-CG 4.45Å; I404-M408 HydrophobicContact CG2-SD 3.84Å; P405-M408 HydrophobicContact CG-CE 3.68Å; P405-M408 HydrophobicContact CG-CG 3.94Å; P405-M408 HydrophobicContact CG-SD 3.76Å; P405-M408 WeakPolarHBondContact O-CB 3.33Å; P405-M408 PolarHBondContact O-N 3.41Å; Y406-M408 PolarHBondContact O-N 3.49Å; M408-S410 PolarHBondContact O-N 3.26Å; M408-V415 HydrophobicContact SD-CG2 4.48Å
409I94.9Very high90.2Very high3 Ų386.7 Ų86.72%0.01546%0.462CS..  trans-72.2123.5174-64.1170.4000108.2L163 H166 L168 V210 V224 P225 Y406L163-I409 HydrophobicContact CD1-CD1 3.96Å; H166-I409 VanDerWaalsContact CE1-CG1 3.47Å; H166-I409 WeakPolarHBondContact CE1-CG1 3.44Å; H166-I409 WeakPolarHBondContact NE2-CG1 2.99Å; L168-I409 HydrophobicContact CD1-CD1 3.92Å; V210-I409 HydrophobicContact CG2-CG2 4.16Å; V224-I409 HydrophobicContact CG1-CG2 4.3Å; V224-I409 WeakPolarHBondContact CG1-O 3.36Å; V224-I409 HydrophobicContact CG2-CG2 4.3Å; P225-I409 HydrophobicContact CG-CB 4.26Å; P225-I409 HydrophobicContact CG-CD1 3.79Å; Y406-I409 WeakPolarHBondContact O-CB 3.11Å; Y406-I409 PolarHBondContact O-N 3.24Å; Y406-I409 VanDerWaalsContact O-N 3.13Å
410S92.6Very high89.9Confident18 Ų1894.5 Ų94.513%0.12649%0.491CS..  trans-160157.6-178.953.70000111M408 K412 I414M408-S410 PolarHBondContact O-N 3.26Å; S410-K412 VanDerWaalsContact C-N 3.29Å; S410-K412 WeakPolarHBondContact CB-O 3.4Å; S410-K412 PolarHBondContact O-N 3.25Å; S410-K412 PolarHBondContact OG-O 3.37Å; S410-I414 VanDerWaalsContact CB-CD1 3.49Å; S410-I414 WeakPolarHBondContact OG-CD1 3.37Å; S410-I414 WeakPolarHBondContact OG-CG1 3.43Å
411L89Confident89.6Confident52 Ų5297.1 Ų97.127%0.27250%0.501SS..SBendtrans-61.5-38.5178.5-72.9174.6000112.7V210 M222 V231 V232V210-L411 HydrophobicContact CG1-CD2 4.21Å; V210-L411 HydrophobicContact CG2-CD2 4.23Å; M222-L411 HydrophobicContact SD-CD2 4.16Å; V231-L411 HydrophobicContact CB-CD1 3.96Å; V231-L411 HydrophobicContact CB-CG 4.4Å; V231-L411 HydrophobicContact CG1-CD1 3.28Å; V231-L411 HydrophobicContact CG1-CG 3.92Å; V232-L411 HydrophobicContact CG2-CD1 3.61Å
412K84.8Confident89.3Confident149 Ų14994.1 Ų94.165%0.64849%0.486SS*.SBendtrans-114.6142.3174.1-67.1-177178.9178.60109S410 I414S410-K412 VanDerWaalsContact C-N 3.29Å; S410-K412 WeakPolarHBondContact CB-O 3.4Å; S410-K412 PolarHBondContact O-N 3.25Å; S410-K412 PolarHBondContact OG-O 3.37Å; K412-I414 PolarHBondContact O-N 3.5Å; K412-I414 VanDerWaalsContact O-N 3.1Å
413P81.3Confident89Confident100 Ų10093.4 Ų93.465%0.64948%0.481SS*.  trans-62.6114.7178.625.5-32.9000110V415P413-V415 VanDerWaalsContact C-N 3.3Å
414I82.1Confident88.8Confident92 Ų9295.9 Ų95.947%0.47250%0.496SS..  trans-73.3-27.7179.9-64.9161.1000110.9S410 K412 G416 E417S410-I414 VanDerWaalsContact CB-CD1 3.49Å; S410-I414 WeakPolarHBondContact OG-CD1 3.37Å; S410-I414 WeakPolarHBondContact OG-CG1 3.43Å; K412-I414 PolarHBondContact O-N 3.5Å; K412-I414 VanDerWaalsContact O-N 3.1Å; I414-G416 PolarHBondContact O-N 3.25Å; I414-G416 VanDerWaalsContact O-N 3.16Å; I414-E417 PolarHBondContact O-N 3.36Å
415V82Confident88.6Confident119 Ų11997.5 Ų97.572%0.72150%0.502SS*.THydrogen-bonded Turntrans-67115.1-173.2-1760000110.5M408 P413M408-V415 HydrophobicContact SD-CG2 4.48Å; P413-V415 VanDerWaalsContact C-N 3.3Å
416G81.1Confident88.4Confident79 Ų7999.9 Ų99.981%0.81451%0.509SS*.THydrogen-bonded Turntrans99.4-12.1178.100000114.7I414I414-G416 PolarHBondContact O-N 3.25Å; I414-G416 VanDerWaalsContact O-N 3.16Å
417E85.4Confident88.2Confident137 Ų137104.2 Ų104.264%0.6453%0.525SS*.PPolyproline II helixtrans-85.5134170.8-67.2-166.216600110.6I414I414-E417 PolarHBondContact O-N 3.36Å
418V84.9Confident87.8Confident99 Ų99106.8 Ų106.860%0.653%0.531SS*.PPolyproline II helixtrans-91.6130.5172-1720000108.1R420 L423V418-R420 PolarHBondContact O-N 2.96Å; V418-L423 HydrophobicContact CB-CD1 4.26Å; V418-L423 HydrophobicContact CB-CG 4.42Å; V418-L423 HydrophobicContact CG1-CD1 4.07Å; V418-L423 HydrophobicContact CG1-CD2 3.98Å; V418-L423 HydrophobicContact CG1-CG 3.68Å
419R86.2Confident87.6Confident173 Ų173108.5 Ų108.565%0.65354%0.536SS*.PPolyproline II helixtrans-63.2132.6175.9-62.5-179.4-177.6-176.71.6109.2E421 D422 L423R419-E421 PolarHBondContact O-N 2.94Å; R419-D422 HydrophobicContact CB-CB 4.43Å; R419-D422 PolarHBondContact O-N 3.49Å; R419-L423 PolarHBondContact O-N 2.83Å
420R87.3Confident87.4Confident205 Ų205114.5 Ų114.577%0.77456%0.562SS**Hα-helixtrans-62.6-32.3-178.2-165.7-176.1-73.7137.5-5.1111.7V418 L423 L424V418-R420 PolarHBondContact O-N 2.96Å; R420-L423 PolarHBondContact O-N 3.25Å; R420-L424 WeakPolarHBondContact O-CG 3.35Å; R420-L424 PolarHBondContact O-N 3.36Å
421E89.9Confident87Confident141 Ų141118.8 Ų118.866%0.65958%0.578SS**Hα-helixtrans-62.6-49.6177.2-65.8172.8-178.800111.1R419 L423 L424 E425R419-E421 PolarHBondContact O-N 2.94Å; E421-L423 VanDerWaalsContact C-N 3.29Å; E421-L423 PolarHBondContact O-N 3.15Å; E421-L424 WeakPolarHBondContact O-CB 3.38Å; E421-L424 PolarHBondContact O-N 3.08Å; E421-E425 PolarHBondContact O-N 2.93Å
422D90.7Very high86.9Confident72 Ų72118.3 Ų118.339%0.38558%0.582SS.*Hα-helixtrans-58-41.6177.4-57.2-13.2000111.6R419 L424 E425 E426R419-D422 HydrophobicContact CB-CB 4.43Å; R419-D422 PolarHBondContact O-N 3.49Å; D422-L424 PolarHBondContact O-N 3.35Å; D422-E425 PolarHBondContact O-N 3.32Å; D422-E426 WeakPolarHBondContact O-CG 3.45Å; D422-E426 PolarHBondContact O-N 3.44Å
423L90.3Very high87.1Confident91 Ų91115.3 Ų115.348%0.47659%0.585SS.*Hα-helixtrans-63.2-40.1175.5-74.1172.8000112.6V418 R419 R420 E421 W427V418-L423 HydrophobicContact CB-CD1 4.26Å; V418-L423 HydrophobicContact CB-CG 4.42Å; V418-L423 HydrophobicContact CG1-CD1 4.07Å; V418-L423 HydrophobicContact CG1-CD2 3.98Å; V418-L423 HydrophobicContact CG1-CG 3.68Å; R419-L423 PolarHBondContact O-N 2.83Å; R420-L423 PolarHBondContact O-N 3.25Å; E421-L423 VanDerWaalsContact C-N 3.29Å; E421-L423 PolarHBondContact O-N 3.15Å; L423-W427 VanDerWaalsContact O-CB 3.3Å; L423-W427 WeakPolarHBondContact O-CB 3.47Å; L423-W427 PolarHBondContact O-N 3.24Å
424L91.6Very high87.4Confident102 Ų102117.8 Ų117.853%0.53459%0.592SS.*Hα-helixtrans-67.8-42.3177.1-71.9170.7000110.8R420 E421 D422 W427 E428R420-L424 WeakPolarHBondContact O-CG 3.35Å; R420-L424 PolarHBondContact O-N 3.36Å; E421-L424 WeakPolarHBondContact O-CB 3.38Å; E421-L424 PolarHBondContact O-N 3.08Å; D422-L424 PolarHBondContact O-N 3.35Å; L424-W427 WeakPolarHBondContact O-CB 3.42Å; L424-W427 PolarHBondContact O-N 3.44Å; L424-E428 WeakPolarHBondContact O-CB 3.49Å; L424-E428 WeakPolarHBondContact O-CG 3.41Å; L424-E428 PolarHBondContact O-N 2.91Å
425E90.1Very high87.3Confident100 Ų100118.9 Ų118.947%0.46760%0.599SS.*Hα-helixtrans-63.2-44.4176.4-73-168.1-175.100112.4E421 D422 W427 E428 K429E421-E425 PolarHBondContact O-N 2.93Å; D422-E425 PolarHBondContact O-N 3.32Å; E425-W427 VanDerWaalsContact C-N 3.27Å; E425-W427 PolarHBondContact O-N 2.85Å; E425-E428 PolarHBondContact O-N 3.36Å; E425-K429 WeakPolarHBondContact O-CB 3.49Å; E425-K429 VanDerWaalsContact O-CG 3.24Å; E425-K429 WeakPolarHBondContact O-CG 3.3Å; E425-K429 PolarHBondContact O-N 2.81Å; E425-K429 IonicContact OE2-NZ 3.79Å
426E91.8Very high87Confident105 Ų105115 Ų11549%0.49158%0.582SS.*Hα-helixtrans-61.2-40.2174.6-77.7-168.9176.400111.6D422 K429 K430D422-E426 WeakPolarHBondContact O-CG 3.45Å; D422-E426 PolarHBondContact O-N 3.44Å; E426-K429 PolarHBondContact O-N 3.01Å; E426-K430 WeakPolarHBondContact O-CB 3.3Å; E426-K430 WeakPolarHBondContact O-CG 3.24Å; E426-K430 PolarHBondContact O-N 2.87Å
427W88.8Confident86.4Confident178 Ų178120 Ų12067%0.67459%0.585SS**Hα-helixtrans-65.4-43.2176.7-167.5-92.3000111.8L423 L424 E425 K430 K431L423-W427 VanDerWaalsContact O-CB 3.3Å; L423-W427 WeakPolarHBondContact O-CB 3.47Å; L423-W427 PolarHBondContact O-N 3.24Å; L424-W427 WeakPolarHBondContact O-CB 3.42Å; L424-W427 PolarHBondContact O-N 3.44Å; E425-W427 VanDerWaalsContact C-N 3.27Å; E425-W427 PolarHBondContact O-N 2.85Å; W427-K430 PolarHBondContact O-N 3.48Å; W427-K431 VanDerWaalsContact O-CB 3.3Å; W427-K431 WeakPolarHBondContact O-CB 3.46Å; W427-K431 PolarHBondContact O-N 3.36Å
428E86.7Confident85.4Confident130 Ų130118.3 Ų118.361%0.60758%0.579SS**Hα-helixtrans-62.8-42.7174.9-76.4-174.6175.300111.6L424 E425 K431 A432L424-E428 WeakPolarHBondContact O-CB 3.49Å; L424-E428 WeakPolarHBondContact O-CG 3.41Å; L424-E428 PolarHBondContact O-N 2.91Å; E425-E428 PolarHBondContact O-N 3.36Å; E428-K431 PolarHBondContact O-N 2.89Å; E428-A432 VanDerWaalsContact O-CB 3.24Å; E428-A432 WeakPolarHBondContact O-CB 3.09Å; E428-A432 PolarHBondContact O-N 2.95Å
429K88.5Confident84.5Confident134 Ų134118.4 Ų118.458%0.58358%0.582SS**Hα-helixtrans-60.5-45.9174.5-74.2166.6-173.2160.90111.4E425 E426 A432 A433E425-K429 WeakPolarHBondContact O-CB 3.49Å; E425-K429 VanDerWaalsContact O-CG 3.24Å; E425-K429 WeakPolarHBondContact O-CG 3.3Å; E425-K429 PolarHBondContact O-N 2.81Å; E425-K429 IonicContact OE2-NZ 3.79Å; E426-K429 PolarHBondContact O-N 3.01Å; K429-A432 PolarHBondContact O-N 3.4Å; K429-A433 WeakPolarHBondContact O-CB 3.44Å; K429-A433 PolarHBondContact O-N 2.84Å
430K89.7Confident83.4Confident128 Ų128119.8 Ų119.856%0.55759%0.592SS**Hα-helixtrans-62.4-43.7175.5-76.6174.6-178.5167.80111.8E426 W427 A433 L434E426-K430 WeakPolarHBondContact O-CB 3.3Å; E426-K430 WeakPolarHBondContact O-CG 3.24Å; E426-K430 PolarHBondContact O-N 2.87Å; W427-K430 PolarHBondContact O-N 3.48Å; K430-A433 PolarHBondContact O-N 3.06Å; K430-L434 WeakPolarHBondContact O-CG 3.34Å; K430-L434 PolarHBondContact O-N 3.03Å; K430-L434 VanDerWaalsContact O-N 3.08Å
431K85.5Confident82.2Confident108 Ų108115.6 Ų115.647%0.4759%0.589SS.*Hα-helixtrans-63.6-44.2177.9-171178.4179.6-177.70111.4W427 E428 L434 L435W427-K431 VanDerWaalsContact O-CB 3.3Å; W427-K431 WeakPolarHBondContact O-CB 3.46Å; W427-K431 PolarHBondContact O-N 3.36Å; E428-K431 PolarHBondContact O-N 2.89Å; K431-L434 PolarHBondContact O-N 3.3Å; K431-L435 HydrophobicContact CG-CD1 3.92Å; K431-L435 WeakPolarHBondContact O-CB 3.36Å; K431-L435 PolarHBondContact O-N 2.94Å
432A86.8Confident80.8Confident42 Ų42115.8 Ų115.835%0.34760%0.595SS.*Hα-helixtrans-66.8-34.9177.300000112.4E428 K429 G436E428-A432 VanDerWaalsContact O-CB 3.24Å; E428-A432 WeakPolarHBondContact O-CB 3.09Å; E428-A432 PolarHBondContact O-N 2.95Å; K429-A432 PolarHBondContact O-N 3.4Å; A432-G436 CarbonylContact O-C 3.47Å; A432-G436 VanDerWaalsContact O-C 3.24Å; A432-G436 WeakPolarHBondContact O-CA 3.24Å; A432-G436 PolarHBondContact O-N 2.79Å
433A88.3Confident79.1Confident87 Ų87118 Ų11872%0.71961%0.611SS**Hα-helixtrans-67.2-37.9174.800000112.4K429 K430K429-A433 WeakPolarHBondContact O-CB 3.44Å; K429-A433 PolarHBondContact O-N 2.84Å; K430-A433 PolarHBondContact O-N 3.06Å
434L87.9Confident77.4Confident151 Ų151119 Ų11979%0.79162%0.623SS**Hα-helixtrans-79.4-41.1-179.3-71.7172.9000113.5K430 K431K430-L434 WeakPolarHBondContact O-CG 3.34Å; K430-L434 PolarHBondContact O-N 3.03Å; K430-L434 VanDerWaalsContact O-N 3.08Å; K431-L434 PolarHBondContact O-N 3.3Å
435L80Confident75.8Confident116 Ų116119.4 Ų119.461%0.60763%0.63SS**Hα-helixtrans-104.6-0.5-172.1-64.8169.8000113.3K431 I438K431-L435 HydrophobicContact CG-CD1 3.92Å; K431-L435 WeakPolarHBondContact O-CB 3.36Å; K431-L435 PolarHBondContact O-N 2.94Å; L435-I438 HydrophobicContact CB-CD1 4.23Å; L435-I438 HydrophobicContact CB-CG1 4.34Å; L435-I438 HydrophobicContact CD1-CD1 4.12Å
436G75Confident74Confident37 Ų37121.9 Ų121.938%0.38165%0.645SS.*  trans71.2176.1-166.200000112.1A432 I438A432-G436 CarbonylContact O-C 3.47Å; A432-G436 VanDerWaalsContact O-C 3.24Å; A432-G436 WeakPolarHBondContact O-CA 3.24Å; A432-G436 PolarHBondContact O-N 2.79Å; G436-I438 PolarHBondContact O-N 2.94Å
437Q69.3Low71.9Confident184 Ų184125.7 Ų125.786%0.8666%0.66SS**  trans-69.398.1171.1-72.1-176.35.800108.9P439Q437-P439 VanDerWaalsContact O-CD 3.31Å; Q437-P439 WeakPolarHBondContact O-CD 3.31Å
438I64.4Low70.1Confident101 Ų101127.8 Ų127.852%0.51867%0.667SS.*  trans-62.8118.1170.2-54.7167.8000106L435 G436 K440L435-I438 HydrophobicContact CB-CD1 4.23Å; L435-I438 HydrophobicContact CB-CG1 4.34Å; L435-I438 HydrophobicContact CD1-CD1 4.12Å; G436-I438 PolarHBondContact O-N 2.94Å; I438-K440 PolarHBondContact O-N 3.12Å; I438-K440 VanDerWaalsContact O-N 3.12Å
439P65.7Low68.3Low102 Ų102129.3 Ų129.366%0.66268%0.68SS**  trans-55.6126.1175.521.3-30.1000107.5Q437 V441Q437-P439 VanDerWaalsContact O-CD 3.31Å; Q437-P439 WeakPolarHBondContact O-CD 3.31Å; P439-V441 PolarHBondContact O-N 2.75Å
440K63.6Low66.4Low202 Ų202131.4 Ų131.488%0.87869%0.689SS**  trans-61.994.2174.3-76.5-177.7178.5178.80107I438 D442I438-K440 PolarHBondContact O-N 3.12Å; I438-K440 VanDerWaalsContact O-N 3.12Å; K440-D442 PolarHBondContact O-N 3.24Å
441V62.3Low64.5Low117 Ų117134.3 Ų134.371%0.70971%0.705SS**  trans-69.5113.5168.6-178.30000104.9P439 T443P439-V441 PolarHBondContact O-N 2.75Å; V441-T443 PolarHBondContact O-N 2.77Å
442D59.7Low62.4Low144 Ų144139.8 Ų139.877%0.7773%0.728SS**  trans-53.5106.7172.8-72.9-29.8000107.4K440 P444K440-D442 PolarHBondContact O-N 3.24Å; D442-P444 WeakPolarHBondContact O-CD 3.39Å; D442-P444 VanDerWaalsContact O-N 3.11Å
443T54.5Low60.7Low120 Ų120141 Ų14174%0.73675%0.746SS**  trans-59.6121.4178.6490000106.9V441 T445V441-T443 PolarHBondContact O-N 2.77Å; T443-T445 PolarHBondContact O-N 2.85Å
444P54.7Low59Low112 Ų112149.1 Ų149.173%0.72776%0.758SS**  trans-59118.6177.723.2-31.4000107D442 I446D442-P444 WeakPolarHBondContact O-CD 3.39Å; D442-P444 VanDerWaalsContact O-N 3.11Å; P444-I446 PolarHBondContact O-N 2.99Å
445T57.9Low57.4Low110 Ų110146.4 Ų146.468%0.67575%0.751SS**  trans-55.6110176.451.70000107.1T443 K447T443-T445 PolarHBondContact O-N 2.85Å; T445-K447 PolarHBondContact O-N 2.79Å
446I52.1Low56.4Low152 Ų152149.6 Ų149.678%0.77976%0.76SS**  trans-60104.8176-62.2170.7000105.5P444 R448P444-I446 PolarHBondContact O-N 2.99Å; I446-R448 PolarHBondContact O-N 2.87Å
447K48.4Very low55.7Low184 Ų184151.5 Ų151.580%0.877%0.766SS**  trans-65.987.3169.1-69.7-179.6-177.6174.20105.8T445 N449T445-K447 PolarHBondContact O-N 2.79Å; K447-N449 PolarHBondContact O-N 3.04Å; K447-N449 VanDerWaalsContact O-N 3.08Å
448R51.2Low55.5Low222 Ų222144.4 Ų144.484%0.83874%0.742SS**  trans-53.9119.4162.4-77.8-177.2136.5170.2-4.6105.8I446 K450I446-R448 PolarHBondContact O-N 2.87Å; R448-K450 PolarHBondContact O-N 3.16Å
449N48.5Very low55.4Low163 Ų163149.9 Ų149.987%0.87276%0.756SS**  trans-50.9113.2178.1-79-20.1000107.9K447 Q451K447-N449 PolarHBondContact O-N 3.04Å; K447-N449 VanDerWaalsContact O-N 3.08Å; N449-Q451 PolarHBondContact O-N 2.89Å
450K49.6Very low55.4Low178 Ų178149.8 Ų149.877%0.77475%0.749SS**  trans-64.5119-175.1-68.5179.1178.1179.40108.1R448 K452R448-K450 PolarHBondContact O-N 3.16Å; K450-K452 PolarHBondContact O-N 3.36Å
451Q48.7Very low55.5Low189 Ų189145.2 Ų145.288%0.88373%0.73SS**  trans-55.5135148.8-80.1177.5-28.200108.1N449 G453N449-Q451 PolarHBondContact O-N 2.89Å; Q451-G453 PolarHBondContact O-N 2.92Å
452K41.7Very low55.8Low222 Ų222141.7 Ų141.797%0.96571%0.714SS**SBendtrans-65.5109.6-169.2-139176.1-175.9-179.60109.6K450K450-K452 PolarHBondContact O-N 3.36Å
453G52.3Low56.5Low69 Ų69141.9 Ų141.971%0.71171%0.707SS**  trans-179.9125.8175.300000112.9Q451 S455Q451-G453 PolarHBondContact O-N 2.92Å; G453-S455 PolarHBondContact O-N 3.29Å
454R51.3Low57.6Low257 Ų257142.5 Ų142.597%0.9770%0.7SS**  trans-45.8124.6-177.2-74.7167164.1170.3-5.5113.6
455S55.6Low58.5Low94 Ų94142.8 Ų142.866%0.65769%0.692SS**  trans-145.7130145.269.40000111.9G453 P457G453-S455 PolarHBondContact O-N 3.29Å; S455-P457 VanDerWaalsContact C-N 3.35Å; S455-P457 WeakPolarHBondContact O-CD 3.34Å
456K57.8Low59.4Low183 Ų183142.4 Ų142.480%0.79669%0.686SS**THydrogen-bonded Turntrans-53.3-24.8178.7-72.8172.9174.1175.80116.8G458 R459 I460K456-G458 PolarHBondContact O-N 2.95Å; K456-R459 PolarHBondContact O-N 3.47Å; K456-I460 PolarHBondContact O-N 3.27Å
457P60.3Low60.5Low77 Ų77138.9 Ų138.950%0.567%0.667SS.*Hα-helixtrans-60.8-39.9-176.2-23.633.1000113.8S455 R459 I460 E461S455-P457 VanDerWaalsContact C-N 3.35Å; S455-P457 WeakPolarHBondContact O-CD 3.34Å; P457-R459 PolarHBondContact O-N 3.2Å; P457-I460 PolarHBondContact O-N 3.03Å; P457-I460 VanDerWaalsContact O-N 3.09Å; P457-E461 PolarHBondContact O-N 3.42Å
458G64.4Low61.7Low34 Ų34135.2 Ų135.235%0.35165%0.653SS.*Hα-helixtrans-64.9-26.3-177.800000114.2K456 A462K456-G458 PolarHBondContact O-N 2.95Å; G458-A462 VanDerWaalsContact O-CB 3.29Å; G458-A462 WeakPolarHBondContact O-CB 3.49Å; G458-A462 PolarHBondContact O-N 3.09Å
459R64.1Low62.8Low217 Ų217130.7 Ų130.782%0.81964%0.639SS**Hα-helixtrans-79.2-30.8177-148.4175.1-174.7178.31.2111.3K456 P457 K463K456-R459 PolarHBondContact O-N 3.47Å; P457-R459 PolarHBondContact O-N 3.2Å; R459-K463 WeakPolarHBondContact O-CB 3.29Å; R459-K463 PolarHBondContact O-N 3.22Å; R459-K463 VanDerWaalsContact O-N 3.11Å
460I64.6Low64Low100 Ų100129.2 Ų129.251%0.51363%0.627SS.*Hα-helixtrans-72.3-42.7173.6-61.8171000109.8K456 P457 K463 K464K456-I460 PolarHBondContact O-N 3.27Å; P457-I460 PolarHBondContact O-N 3.03Å; P457-I460 VanDerWaalsContact O-N 3.09Å; I460-K463 PolarHBondContact O-N 3.34Å; I460-K464 WeakPolarHBondContact O-CG 3.4Å; I460-K464 PolarHBondContact O-N 2.83Å
461E65.6Low65.1Low106 Ų106129.1 Ų129.150%0.49562%0.622SS.*Hα-helixtrans-63.5-46.2175.8-146.677-136.300111.7P457 K463 K464 Q465P457-E461 PolarHBondContact O-N 3.42Å; E461-K463 VanDerWaalsContact C-N 3.28Å; E461-K463 PolarHBondContact O-N 3.08Å; E461-K464 PolarHBondContact O-N 2.93Å; E461-K464 VanDerWaalsContact O-N 3.16Å; E461-Q465 WeakPolarHBondContact O-CG 3.24Å; E461-Q465 PolarHBondContact O-N 3.18Å
462A69.6Low66.2Low43 Ų43125.5 Ų125.536%0.35560%0.604SS.*Hα-helixtrans-61.5-36.9175.700000111.9G458 Q465 N466G458-A462 VanDerWaalsContact O-CB 3.29Å; G458-A462 WeakPolarHBondContact O-CB 3.49Å; G458-A462 PolarHBondContact O-N 3.09Å; A462-Q465 PolarHBondContact O-N 3.47Å; A462-N466 WeakPolarHBondContact O-CB 3.43Å; A462-N466 PolarHBondContact O-N 3.13Å
463K74.3Confident67.7Low147 Ų147119.3 Ų119.364%0.63958%0.579SS**Hα-helixtrans-66.9-41174.9-163173.8-175.9-179.80111.6R459 I460 E461 N466 I467R459-K463 WeakPolarHBondContact O-CB 3.29Å; R459-K463 PolarHBondContact O-N 3.22Å; R459-K463 VanDerWaalsContact O-N 3.11Å; I460-K463 PolarHBondContact O-N 3.34Å; E461-K463 VanDerWaalsContact C-N 3.28Å; E461-K463 PolarHBondContact O-N 3.08Å; K463-N466 PolarHBondContact O-N 3.15Å; K463-I467 HydrophobicContact CG-CD1 4.21Å; K463-I467 WeakPolarHBondContact O-CD1 3.33Å; K463-I467 VanDerWaalsContact O-CG1 3.24Å; K463-I467 WeakPolarHBondContact O-CG1 3.44Å; K463-I467 PolarHBondContact O-N 2.85Å
464K76.1Confident68.7Low133 Ų133122.1 Ų122.158%0.57857%0.572SS**Hα-helixtrans-62.9-41.5173.5-73.6-179.2179.7-1800112I460 E461 I467 H468I460-K464 WeakPolarHBondContact O-CG 3.4Å; I460-K464 PolarHBondContact O-N 2.83Å; E461-K464 PolarHBondContact O-N 2.93Å; E461-K464 VanDerWaalsContact O-N 3.16Å; K464-I467 PolarHBondContact O-N 3.18Å; K464-H468 WeakPolarHBondContact O-CB 3.48Å; K464-H468 PolarHBondContact O-N 3.48Å
465Q75.2Confident69.8Low119 Ų119114 Ų11456%0.55655%0.551SS**Hα-helixtrans-66.1-42.2177.5-72.4-178.6-1.600112.2E461 A462 H468 F469E461-Q465 WeakPolarHBondContact O-CG 3.24Å; E461-Q465 PolarHBondContact O-N 3.18Å; A462-Q465 PolarHBondContact O-N 3.47Å; Q465-H468 PolarHBondContact O-N 2.74Å; Q465-F469 WeakPolarHBondContact O-CB 3.43Å; Q465-F469 PolarHBondContact O-N 3.2Å
466N77Confident70.7Confident102 Ų102113.5 Ų113.555%0.54554%0.54SS..Hα-helixtrans-63.8-44.8175.7-75.41.4000111.8A462 K463 H468 F469 E470A462-N466 WeakPolarHBondContact O-CB 3.43Å; A462-N466 PolarHBondContact O-N 3.13Å; K463-N466 PolarHBondContact O-N 3.15Å; N466-H468 VanDerWaalsContact C-N 3.29Å; N466-H468 PolarHBondContact O-N 3.49Å; N466-F469 PolarHBondContact O-N 2.99Å; N466-E470 WeakPolarHBondContact O-CB 3.35Å; N466-E470 WeakPolarHBondContact O-CG 3.49Å; N466-E470 PolarHBondContact O-N 2.84Å
467I73.9Confident71.5Confident77 Ų77112.5 Ų112.540%0.39554%0.536SS..Hα-helixtrans-61.3-40.1175.8-67.3164.5000110.8K463 K464 R471K463-I467 HydrophobicContact CG-CD1 4.21Å; K463-I467 WeakPolarHBondContact O-CD1 3.33Å; K463-I467 VanDerWaalsContact O-CG1 3.24Å; K463-I467 WeakPolarHBondContact O-CG1 3.44Å; K463-I467 PolarHBondContact O-N 2.85Å; K464-I467 PolarHBondContact O-N 3.18Å; I467-R471 WeakPolarHBondContact O-CG 3.22Å; I467-R471 PolarHBondContact O-N 2.95Å
468H73.2Confident72.2Confident108 Ų108114.2 Ų114.250%0.554%0.537SS..Hα-helixtrans-67.2-40.7177.2-168.610.6000112K464 Q465 N466 R471 K472K464-H468 WeakPolarHBondContact O-CB 3.48Å; K464-H468 PolarHBondContact O-N 3.48Å; Q465-H468 PolarHBondContact O-N 2.74Å; N466-H468 VanDerWaalsContact C-N 3.29Å; N466-H468 PolarHBondContact O-N 3.49Å; H468-R471 PolarHBondContact O-N 3.38Å; H468-K472 PolarHBondContact O-N 3.49Å
469F76.1Confident72.7Confident126 Ų126115.3 Ų115.355%0.55354%0.543SS*.Hα-helixtrans-65.3-43.4177.2-173.4-97.3000111.8Q465 N466 R471 K472 M473Q465-F469 WeakPolarHBondContact O-CB 3.43Å; Q465-F469 PolarHBondContact O-N 3.2Å; N466-F469 PolarHBondContact O-N 2.99Å; F469-R471 PolarHBondContact O-N 3.28Å; F469-K472 PolarHBondContact O-N 3.03Å; F469-M473 HydrophobicContact CD1-CG 4.15Å; F469-M473 HydrophobicContact CE1-CE 4.38Å; F469-M473 HydrophobicContact CE1-CG 3.74Å; F469-M473 HydrophobicContact CE2-CE 4.01Å; F469-M473 HydrophobicContact CZ-CE 3.7Å; F469-M473 HydrophobicContact CZ-CG 4.01Å; F469-M473 PolarHBondContact O-N 2.93Å
470E73.8Confident73.2Confident132 Ų132109.1 Ų109.162%0.61753%0.526SS*.Hα-helixtrans-59.9-43.5174.2-76.9176.5175.700111.5N466 K472 M473 F474N466-E470 WeakPolarHBondContact O-CB 3.35Å; N466-E470 WeakPolarHBondContact O-CG 3.49Å; N466-E470 PolarHBondContact O-N 2.84Å; E470-K472 PolarHBondContact O-N 3.47Å; E470-M473 PolarHBondContact O-N 3.21Å; E470-F474 WeakPolarHBondContact O-CB 3.27Å; E470-F474 PolarHBondContact O-N 3.11Å
471R71.6Confident73.7Confident177 Ų177106.1 Ų106.167%0.66852%0.519SS*.Hα-helixtrans-61.6-42.8174-76.1-180176.6-175-1.5112.4I467 H468 F469 F474 T475I467-R471 WeakPolarHBondContact O-CG 3.22Å; I467-R471 PolarHBondContact O-N 2.95Å; H468-R471 PolarHBondContact O-N 3.38Å; F469-R471 PolarHBondContact O-N 3.28Å; R471-F474 PolarHBondContact O-N 3.27Å; R471-T475 PolarHBondContact O-N 3.04Å; R471-T475 PolarHBondContact O-OG1 3.42Å
472K71.3Confident73.9Confident113 Ų113105.2 Ų105.249%0.49152%0.52SS..Hα-helixtrans-62.8-45.6175.6-80.9-175177.1179.20111.2H468 F469 E470 F474 T475 I476H468-K472 PolarHBondContact O-N 3.49Å; F469-K472 PolarHBondContact O-N 3.03Å; E470-K472 PolarHBondContact O-N 3.47Å; K472-F474 VanDerWaalsContact C-N 3.35Å; K472-F474 PolarHBondContact O-N 2.89Å; K472-T475 PolarHBondContact O-N 3.47Å; K472-I476 WeakPolarHBondContact O-CG1 3.37Å; K472-I476 PolarHBondContact O-N 2.94Å
473M73.6Confident73.8Confident91 Ų91111.3 Ų111.345%0.44853%0.534SS..Hα-helixtrans-65-38.1178.6-79.4-62.3148.400112.6F469 E470 I476 K477F469-M473 HydrophobicContact CD1-CG 4.15Å; F469-M473 HydrophobicContact CE1-CE 4.38Å; F469-M473 HydrophobicContact CE1-CG 3.74Å; F469-M473 HydrophobicContact CE2-CE 4.01Å; F469-M473 HydrophobicContact CZ-CE 3.7Å; F469-M473 HydrophobicContact CZ-CG 4.01Å; F469-M473 PolarHBondContact O-N 2.93Å; E470-M473 PolarHBondContact O-N 3.21Å; M473-I476 HydrophobicContact CE-CD1 4.24Å; M473-I476 PolarHBondContact O-N 3.25Å; M473-K477 VanDerWaalsContact O-CB 3.27Å; M473-K477 WeakPolarHBondContact O-CB 3.33Å; M473-K477 PolarHBondContact O-N 3.41Å
474F73.1Confident73.6Confident129 Ų129109.6 Ų109.657%0.56653%0.529SS*.Hα-helixtrans-60.4-46.4173.2-172.5-95.1000111.5E470 R471 K472 I476 K477 E478E470-F474 WeakPolarHBondContact O-CB 3.27Å; E470-F474 PolarHBondContact O-N 3.11Å; R471-F474 PolarHBondContact O-N 3.27Å; K472-F474 VanDerWaalsContact C-N 3.35Å; K472-F474 PolarHBondContact O-N 2.89Å; F474-I476 PolarHBondContact O-N 3.06Å; F474-K477 PolarHBondContact O-N 3.28Å; F474-E478 HydrophobicContact CD1-CG 4.41Å; F474-E478 VanDerWaalsContact CE1-CD 3.42Å; F474-E478 HydrophobicContact CE1-CG 4.02Å; F474-E478 VanDerWaalsContact CE1-OE1 3.22Å; F474-E478 WeakPolarHBondContact CE1-OE1 3.45Å; F474-E478 HydrophobicContact CZ-CG 4.35Å; F474-E478 PolarHBondContact O-N 3.24Å
475T74.7Confident73.2Confident86 Ų86106.1 Ų106.153%0.52853%0.525SS..Hα-helixtrans-64-41.5179-44.60000112R471 K472 E478 A479R471-T475 PolarHBondContact O-N 3.04Å; R471-T475 PolarHBondContact O-OG1 3.42Å; K472-T475 PolarHBondContact O-N 3.47Å; T475-E478 PolarHBondContact O-N 3.48Å; T475-A479 WeakPolarHBondContact O-CB 3.39Å; T475-A479 PolarHBondContact O-N 3.46Å
476I74.4Confident72.9Confident83 Ų83106 Ų10643%0.42652%0.524SS..Hα-helixtrans-65.6-40.7176.2-68.9166.9000110.7K472 M473 F474 A479 L480K472-I476 WeakPolarHBondContact O-CG1 3.37Å; K472-I476 PolarHBondContact O-N 2.94Å; M473-I476 HydrophobicContact CE-CD1 4.24Å; M473-I476 PolarHBondContact O-N 3.25Å; F474-I476 PolarHBondContact O-N 3.06Å; I476-A479 PolarHBondContact O-N 2.86Å; I476-L480 HydrophobicContact CG2-CD1 3.73Å; I476-L480 HydrophobicContact CG2-CG 4.28Å; I476-L480 WeakPolarHBondContact O-CB 3.43Å; I476-L480 WeakPolarHBondContact O-CG 3.33Å; I476-L480 PolarHBondContact O-N 2.89Å
477K74.8Confident72.5Confident163 Ų163106.2 Ų106.271%0.70952%0.522SS*.Hα-helixtrans-65.9-39.2178.5-168.9174.9-177177.50112M473 F474 G481M473-K477 VanDerWaalsContact O-CB 3.27Å; M473-K477 WeakPolarHBondContact O-CB 3.33Å; M473-K477 PolarHBondContact O-N 3.41Å; F474-K477 PolarHBondContact O-N 3.28Å; K477-G481 PolarHBondContact O-N 3.33Å
478E74.1Confident72.3Confident113 Ų113108.9 Ų108.953%0.52853%0.53SS..Hα-helixtrans-62.2-46.7171.2-76-172.1149.800111.3F474 T475 L480 G481 V482F474-E478 HydrophobicContact CD1-CG 4.41Å; F474-E478 VanDerWaalsContact CE1-CD 3.42Å; F474-E478 HydrophobicContact CE1-CG 4.02Å; F474-E478 VanDerWaalsContact CE1-OE1 3.22Å; F474-E478 WeakPolarHBondContact CE1-OE1 3.45Å; F474-E478 HydrophobicContact CZ-CG 4.35Å; F474-E478 PolarHBondContact O-N 3.24Å; T475-E478 PolarHBondContact O-N 3.48Å; E478-L480 PolarHBondContact O-N 3.46Å; E478-G481 PolarHBondContact O-N 2.85Å; E478-V482 WeakPolarHBondContact O-CG2 3.39Å; E478-V482 PolarHBondContact O-N 2.83Å
479A75.4Confident71.9Confident57 Ų57109.4 Ų109.447%0.47154%0.536SS..Hα-helixtrans-63.6-38.7178.800000113.1T475 I476 R483T475-A479 WeakPolarHBondContact O-CB 3.39Å; T475-A479 PolarHBondContact O-N 3.46Å; I476-A479 PolarHBondContact O-N 2.86Å; A479-R483 PolarHBondContact O-N 3.11Å; A479-R483 VanDerWaalsContact O-N 3.15Å
480L74.3Confident71.3Confident87 Ų87112.5 Ų112.546%0.45554%0.544SS..Hα-helixtrans-70-40.4174.5-75.9169.3000111.8I476 E478 V482 R483 E484I476-L480 HydrophobicContact CG2-CD1 3.73Å; I476-L480 HydrophobicContact CG2-CG 4.28Å; I476-L480 WeakPolarHBondContact O-CB 3.43Å; I476-L480 WeakPolarHBondContact O-CG 3.33Å; I476-L480 PolarHBondContact O-N 2.89Å; E478-L480 PolarHBondContact O-N 3.46Å; L480-V482 VanDerWaalsContact C-N 3.29Å; L480-V482 PolarHBondContact O-N 3.4Å; L480-R483 CarbonylContact O-C 3.59Å; L480-R483 PolarHBondContact O-N 3.15Å; L480-R483 VanDerWaalsContact O-N 3.11Å; L480-E484 PolarHBondContact O-N 3.06Å
481G76.2Confident70.7Confident36 Ų36114.1 Ų114.137%0.37155%0.545SS..Hα-helixtrans-61.6-37.3175.400000112.6K477 E478 A485K477-G481 PolarHBondContact O-N 3.33Å; E478-G481 PolarHBondContact O-N 2.85Å; G481-A485 VanDerWaalsContact O-CB 3.31Å; G481-A485 WeakPolarHBondContact O-CB 3.4Å; G481-A485 PolarHBondContact O-N 2.8Å
482V70.2Confident70.2Confident87 Ų87113 Ų11353%0.52755%0.545SS..Hα-helixtrans-64.8-43.3172.21740000110.9E478 L480 A485 E486E478-V482 WeakPolarHBondContact O-CG2 3.39Å; E478-V482 PolarHBondContact O-N 2.83Å; L480-V482 VanDerWaalsContact C-N 3.29Å; L480-V482 PolarHBondContact O-N 3.4Å; V482-A485 PolarHBondContact O-N 2.92Å; V482-E486 WeakPolarHBondContact O-CG 3.45Å; V482-E486 PolarHBondContact O-N 3.35Å
483R65.7Low69.6Low172 Ų172111.6 Ų111.665%0.64955%0.546SS*.Hα-helixtrans-65.3-42.2176.4-79.2-176.7171.6175.4-1.9113.3A479 L480 A485 E486 E487A479-R483 PolarHBondContact O-N 3.11Å; A479-R483 VanDerWaalsContact O-N 3.15Å; L480-R483 CarbonylContact O-C 3.59Å; L480-R483 PolarHBondContact O-N 3.15Å; L480-R483 VanDerWaalsContact O-N 3.11Å; R483-A485 VanDerWaalsContact C-N 3.31Å; R483-A485 PolarHBondContact O-N 3.4Å; R483-E486 PolarHBondContact O-N 2.86Å; R483-E487 PolarHBondContact O-N 2.84Å
484E70.6Confident68.4Low111 Ų111110.5 Ų110.552%0.51955%0.547SS..Hα-helixtrans-65.7-35.8176-75.5-175.7-175.600111.8L480 K488L480-E484 PolarHBondContact O-N 3.06Å; E484-K488 VanDerWaalsContact O-CB 3.32Å; E484-K488 WeakPolarHBondContact O-CB 3.4Å; E484-K488 VanDerWaalsContact O-CG 3.27Å; E484-K488 WeakPolarHBondContact O-CG 3.4Å; E484-K488 PolarHBondContact O-N 3.48Å
485A69Low67.3Low60 Ų60113.7 Ų113.750%0.49656%0.556SS.*Hα-helixtrans-66.1-42.2172.900000111.5G481 V482 R483 K488 L489G481-A485 VanDerWaalsContact O-CB 3.31Å; G481-A485 WeakPolarHBondContact O-CB 3.4Å; G481-A485 PolarHBondContact O-N 2.8Å; V482-A485 PolarHBondContact O-N 2.92Å; R483-A485 VanDerWaalsContact C-N 3.31Å; R483-A485 PolarHBondContact O-N 3.4Å; A485-K488 PolarHBondContact O-N 2.98Å; A485-L489 WeakPolarHBondContact O-CB 3.27Å; A485-L489 PolarHBondContact O-N 3.28Å
486E68.7Low66.1Low115 Ų115117.4 Ų117.454%0.53757%0.565SS.*Hα-helixtrans-63.9-41.7173.9-76.8-176.5166.300112.4V482 R483 L489 R490V482-E486 WeakPolarHBondContact O-CG 3.45Å; V482-E486 PolarHBondContact O-N 3.35Å; R483-E486 PolarHBondContact O-N 2.86Å; E486-L489 WeakPolarHBondContact O-CB 3.33Å; E486-L489 PolarHBondContact O-N 3.44Å; E486-R490 WeakPolarHBondContact O-CG 3.44Å; E486-R490 PolarHBondContact O-N 2.88Å
487E67.1Low64.7Low108 Ų108119.8 Ų119.851%0.50558%0.579SS.*Hα-helixtrans-67.8-40.6176-81.7-167.3168.600112.5R483 L489 R490 R491R483-E487 PolarHBondContact O-N 2.84Å; E487-L489 VanDerWaalsContact C-N 3.29Å; E487-L489 PolarHBondContact O-N 2.95Å; E487-R490 PolarHBondContact O-N 3.23Å; E487-R491 WeakPolarHBondContact O-CB 3.36Å; E487-R491 WeakPolarHBondContact O-CG 3.32Å; E487-R491 PolarHBondContact O-N 3.33Å
488K69.4Low63.3Low132 Ų132117.5 Ų117.557%0.57458%0.578SS**Hα-helixtrans-63.4-36.9173.1-77.8173.9-177.9169.80111.3E484 A485 K492E484-K488 VanDerWaalsContact O-CB 3.32Å; E484-K488 WeakPolarHBondContact O-CB 3.4Å; E484-K488 VanDerWaalsContact O-CG 3.27Å; E484-K488 WeakPolarHBondContact O-CG 3.4Å; E484-K488 PolarHBondContact O-N 3.48Å; A485-K488 PolarHBondContact O-N 2.98Å; K488-K492 WeakPolarHBondContact O-CB 3.41Å; K488-K492 WeakPolarHBondContact O-CG 3.31Å; K488-K492 PolarHBondContact O-N 3.47Å
489L65.1Low61.7Low120 Ų120118.8 Ų118.863%0.62859%0.589SS**Hα-helixtrans-64.4-46.1172.8-155.486.4000110.7A485 E486 E487 R491 K492 V493A485-L489 WeakPolarHBondContact O-CB 3.27Å; A485-L489 PolarHBondContact O-N 3.28Å; E486-L489 WeakPolarHBondContact O-CB 3.33Å; E486-L489 PolarHBondContact O-N 3.44Å; E487-L489 VanDerWaalsContact C-N 3.29Å; E487-L489 PolarHBondContact O-N 2.95Å; L489-R491 PolarHBondContact O-N 3.27Å; L489-K492 PolarHBondContact O-N 2.89Å; L489-V493 WeakPolarHBondContact O-CG2 3.48Å; L489-V493 PolarHBondContact O-N 2.83Å
490R64.1Low59.9Low191 Ų191123 Ų12372%0.72160%0.603SS**Hα-helixtrans-61.7-41.9176.4-76.5-179.7177.8-136.91.2113E486 E487 V493 S494E486-R490 WeakPolarHBondContact O-CG 3.44Å; E486-R490 PolarHBondContact O-N 2.88Å; E487-R490 PolarHBondContact O-N 3.23Å; R490-V493 PolarHBondContact O-N 3.48Å; R490-S494 PolarHBondContact O-N 2.97Å
491R62.2Low58Low165 Ų165126.9 Ų126.962%0.62362%0.623SS**Hα-helixtrans-68-34.3176.2-72.8-178.8-175.3167.76.8112.7E487 L489 V493 S494 Y495E487-R491 WeakPolarHBondContact O-CB 3.36Å; E487-R491 WeakPolarHBondContact O-CG 3.32Å; E487-R491 PolarHBondContact O-N 3.33Å; L489-R491 PolarHBondContact O-N 3.27Å; R491-V493 VanDerWaalsContact C-N 3.32Å; R491-S494 PolarHBondContact O-N 3.03Å; R491-S494 PolarHBondContact O-OG 3.39Å; R491-Y495 PolarHBondContact O-N 2.93Å; R491-Y495 VanDerWaalsContact O-N 3.08Å
492K59.6Low55.9Low154 Ų154129.8 Ų129.867%0.6764%0.637SS**Hα-helixtrans-67.8-32.7171.8-78.7-178.8177.2-1750112.3K488 L489 K496K488-K492 WeakPolarHBondContact O-CB 3.41Å; K488-K492 WeakPolarHBondContact O-CG 3.31Å; K488-K492 PolarHBondContact O-N 3.47Å; L489-K492 PolarHBondContact O-N 2.89Å; K492-K496 PolarHBondContact O-N 2.94Å
493V58.4Low54.4Low84 Ų84132.1 Ų132.151%0.50965%0.652SS.*Hα-helixtrans-72.8-35.9173.5174.90000111.3L489 R490 R491L489-V493 WeakPolarHBondContact O-CG2 3.48Å; L489-V493 PolarHBondContact O-N 2.83Å; R490-V493 PolarHBondContact O-N 3.48Å; R491-V493 VanDerWaalsContact C-N 3.32Å
494S48.6Very low52.8Low67 Ų67132 Ų13247%0.46966%0.663SS.*Hα-helixtrans-72.4-31.6177.572.90000113.6R490 R491R490-S494 PolarHBondContact O-N 2.97Å; R491-S494 PolarHBondContact O-N 3.03Å; R491-S494 PolarHBondContact O-OG 3.39Å
495Y51.7Low51Low196 Ų196132 Ų13277%0.76968%0.676SS**Hα-helixtrans-78.1-20.9176.4-100-86.2000114.1R491 N497R491-Y495 PolarHBondContact O-N 2.93Å; R491-Y495 VanDerWaalsContact O-N 3.08Å; Y495-N497 VanDerWaalsContact C-N 3.34Å
496K48.5Very low49.4Very low165 Ų165140.3 Ų140.372%0.71769%0.694SS**Hα-helixtrans-79.4-14.5173.5-85.3-171.8170.4-169.10113.9K492K492-K496 PolarHBondContact O-N 2.94Å
497N44.3Very low48.1Very low133 Ų133141.1 Ų141.171%0.71171%0.71SS**THydrogen-bonded Turntrans-94.811.6-177.2-74.1-5000114.6Y495Y495-N497 VanDerWaalsContact C-N 3.34Å
498V47Very low46.5Very low115 Ų115141 Ų14170%0.69772%0.721SS**SBendtrans-112.7-13.4-179.1-178.80000113.4
499N38.9Very low44.7Very low139 Ų139144.2 Ų144.274%0.74374%0.738SS**SBendtrans-118.70.2-174.1-80.84.5000117.3
500D37.8Very low43.5Very low145 Ų145143.2 Ų143.278%0.77575%0.747SS**  trans-12076.2179-68.2-28.8000111.6
501I35.2Very low42.1Very low169 Ų169142.5 Ų142.587%0.86776%0.757SS**  trans-100.882.6153.6-59.2172.6000106.4
502S32.1Very low40.8Very low97 Ų97140.7 Ų140.768%0.67876%0.763SS**SBendtrans176.6136.814347.40000110.7
503T38Very low39.6Very low137 Ų137139.8 Ų139.884%0.8477%0.771SS**  trans84.7116.8169.272.80000118.4
504L33.3Very low38.4Very low169 Ų169146 Ų14689%0.88579%0.791SS**  trans-57.7138.7169.6-73.876.6000111.6
505S33.1Very low37.6Very low111 Ų111152.1 Ų152.178%0.77681%0.809SS**  -179.2126.5115.6540000114.1
506R34.6Very low36.6Very low235 Ų235152.3 Ų152.389%0.88781%0.814SS**  trans67.2130.4149.9-65.6-177.8175.4-178.2-0.8121.5
507P41.4Very low35.9Very low132 Ų132153.2 Ų153.286%0.85783%0.826SS**  trans-93.8120.5168.635.4-25.9000110.8
508S33.9Very low35.3Very low106 Ų106150.6 Ų150.674%0.74182%0.823SS**  trans-163.1140.1158.9470000108.7
509E31.6Very low34.6Very low198 Ų198154.4 Ų154.493%0.92583%0.83SS**SBendtrans88.962176.8-53.8-173.2148.400118.2
510A39.6Very low34.3Very low100 Ų100159.2 Ų159.283%0.82684%0.838SS**  trans-150.510.9152.300000115.2
511L34.8Very low34Very low176 Ų176162.8 Ų162.892%0.92184%0.84SS**SBendtrans-9817.7-177.3-93.1165.8000114.8
512V34.4Very low34.1Very low126 Ų126160.4 Ų160.476%0.76483%0.834SS**  trans-137.491174.7-173.60000106.8
513T34.6Very low34.1Very low135 Ų135163.1 Ų163.183%0.82884%0.84SS**  -171.250.4114.832.90000110.6K515T513-K515 VanDerWaalsContact C-N 3.3Å; T513-K515 PolarHBondContact O-N 3.24Å
514K32.1Very low34.1Very low214 Ų214161.4 Ų161.493%0.9383%0.83SS**  trans-84.176.9154.5-85.5-173.9177.9176.90108.9
515K33Very low34.5Very low197 Ų197158.5 Ų158.586%0.85783%0.831SS**  trans177.884162.2-104.8168.5-176.5-178.80109.4T513T513-K515 VanDerWaalsContact C-N 3.3Å; T513-K515 PolarHBondContact O-N 3.24Å
516K30.8Very low34.8Very low199 Ų199160.8 Ų160.887%0.86583%0.833SS**  trans-174.167.4149.4-103168.8-174.5-178.60108.6A518K516-A518 PolarHBondContact O-N 3.08Å
517L33.2Very low35Very low184 Ų184156.5 Ų156.596%0.96383%0.828SS**  trans-66.879.7146.6-96.2154.2000105.9K519L517-K519 PolarHBondContact O-N 3.01Å; L517-K519 VanDerWaalsContact O-N 3.13Å
518A32.4Very low35.3Very low78 Ų78156.4 Ų156.465%0.64583%0.825SS**  trans-66.9109.1169.700000106.7K516 R520K516-A518 PolarHBondContact O-N 3.08Å; A518-R520 VanDerWaalsContact C-N 3.35Å; A518-R520 PolarHBondContact O-N 3Å
519K31.2Very low35.4Very low195 Ų195158.8 Ų158.885%0.84883%0.828SS**  trans-41.696.4162-71.7171.8173.9175.70109.4L517 R521L517-K519 PolarHBondContact O-N 3.01Å; L517-K519 VanDerWaalsContact O-N 3.13Å; K519-R521 VanDerWaalsContact C-N 3.3Å; K519-R521 PolarHBondContact O-N 3.28Å; K519-R521 VanDerWaalsContact O-N 3.15Å
520R33.9Very low35.9Very low241 Ų241156.5 Ų156.591%0.90982%0.821SS**  trans-79.690.9158.9-94.4-175.1162.3-176.8-4.2106.9A518 T522A518-R520 VanDerWaalsContact C-N 3.35Å; A518-R520 PolarHBondContact O-N 3Å; R520-T522 PolarHBondContact O-N 2.82Å
521R30.4Very low35.8Very low219 Ų219157.4 Ų157.483%0.82682%0.818SS**  trans-57.1108.3162.6-75177.6160.7173.9-6.2107.8K519 N523K519-R521 VanDerWaalsContact C-N 3.3Å; K519-R521 PolarHBondContact O-N 3.28Å; K519-R521 VanDerWaalsContact O-N 3.15Å; R521-N523 PolarHBondContact O-N 3.49Å
522T38.4Very low36.2Very low120 Ų120154.7 Ų154.774%0.73681%0.811SS**  trans-81.9106.7158.348.70000106.9R520 T524R520-T522 PolarHBondContact O-N 2.82Å; T522-T524 PolarHBondContact O-N 3.46Å
523N31.9Very low36.3Very low153 Ų153158.5 Ų158.582%0.81882%0.817SS**  trans-63.6103.6171.9-69.8-20.3000108.9R521R521-N523 PolarHBondContact O-N 3.49Å
524T37.5Very low36.4Very low102 Ų102161.6 Ų161.663%0.62682%0.822SS**  trans-110.9135.8159.839.80000108.4T522 L526T522-T524 PolarHBondContact O-N 3.46Å; T524-L526 PolarHBondContact O-N 3.41Å
525A40.6Very low37.2Very low108 Ų108161.5 Ų161.589%0.89384%0.839SS**THydrogen-bonded Turntrans-69.435.7-165.100000116.4
526L40.2Very low37.4Very low158 Ų158159.7 Ų159.783%0.82784%0.838SS**THydrogen-bonded Turntrans-125.6-1.5-179.1-98.5157.1000114.6T524T524-L526 PolarHBondContact O-N 3.41Å
527D40Very low37.7Very low146 Ų146157.6 Ų157.678%0.78184%0.837SS**  trans-95.822.8-179.1-80-8.9000114.6
528V46.5Very low38Very low130 Ų130156.2 Ų156.279%0.78883%0.83SS**SBendtrans-92.4-0.8-176.7178.20000113.8
529L35.7Very low38.3Very low155 Ų155160.8 Ų160.881%0.81284%0.841SS**SBendtrans-122.319-165.8-70.7177.8000118.6
530I42.7Very low38.7Very low151 Ų151158.6 Ų158.677%0.77484%0.84SS**  trans-143.8117.2169.3-52.5177000110.7
531P38.2Very low39.1Very low119 Ų119153.1 Ų153.177%0.77384%0.836SS**  trans-82.9123.7166.632.6-26.5000108.7
532P42.2Very low39.7Very low119 Ų119148.4 Ų148.477%0.77384%0.836SS**  trans-81.6136.2171.231.7-28.8000110
533K36.5Very low39.8Very low205 Ų205150.6 Ų150.689%0.89184%0.844SS**  trans-45.4140.6-178.5-73173.6170.5179.30113.9
534E37.7Very low40.4Very low200 Ų200150.4 Ų150.494%0.93585%0.846SS**  trans-61.7126.3168.9-64.2178.1164.800110.7
535V47.5Very low40.7Very low212 Ų212154.8 Ų154.8100%1.28587%0.866SS**  trans-136.70155.7-178.60000106.8

Retrieved 535 of 535 residues in 140.3 ms (Link to these results)

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