A0A096NUT4_PAPAN Loading...

Protein kintoun

Required for cytoplasmic pre-assembly of axonemal dyneins, thereby playing a central role in motility in cilia and flagella. Involved in pre-assembly of dynein arm complexes in the cytoplasm before intraflagellar transport loads them for the ciliary compartment.

AlphaFold DB , UniProt , Accession A0A096NUT4, Species PAPAN (Papio anubis, Olive baboon), Gene DNAAF2, Length 839 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
1M31.5Very low39.3Very low244 Ų244126.8 Ų126.8100%1.20275%0.75SS**  0117.50-74.1174.8169.500107.5
2A29.1Very low40.5Very low107 Ų107121.9 Ų121.988%0.88472%0.718SS**  trans-70.9134.2178.200000109.9A4A2-A4 PolarHBondContact O-N 2.84Å
3K30.2Very low42.1Very low201 Ų201120.9 Ų120.987%0.87471%0.706SS**  trans-79114.3176.1-161.8179.4-175.8-173.20106.8E5K3-E5 PolarHBondContact O-N 2.88Å
4A30.3Very low43.7Very low98 Ų98122.3 Ų122.381%0.8171%0.709SS**  trans-65.4117178.500000109.4A2 A6A2-A4 PolarHBondContact O-N 2.84Å; A4-A6 PolarHBondContact O-N 3.19Å
5E33.8Very low45.9Very low190 Ų190117.5 Ų117.589%0.88868%0.679SS**  trans-67.8128.1169-68.6177.8152.800108.4K3 S7K3-E5 PolarHBondContact O-N 2.88Å; E5-S7 PolarHBondContact O-N 3.21Å; E5-S7 VanDerWaalsContact O-N 3.11Å
6A33.7Very low48.1Very low97 Ų97113.3 Ų113.380%0.80266%0.659SS**  trans-77.795.9173.700000107.8A4 S8A4-A6 PolarHBondContact O-N 3.19Å; A6-S8 PolarHBondContact O-N 3Å; A6-S8 VanDerWaalsContact O-N 3.1Å
7S36.9Very low50.3Low101 Ų101110.1 Ų110.171%0.70666%0.656SS**  trans-44.8117.7172.656.90000109.6E5E5-S7 PolarHBondContact O-N 3.21Å; E5-S7 VanDerWaalsContact O-N 3.11Å
8S46.3Very low52.4Low54 Ų54111.6 Ų111.638%0.37866%0.655SS.*  trans-79.9145.3-168.870.90000110.4A6 L10 E11A6-S8 PolarHBondContact O-N 3Å; A6-S8 VanDerWaalsContact O-N 3.1Å; S8-L10 PolarHBondContact O-N 3.4Å; S8-E11 PolarHBondContact N-OE1 2.84Å; S8-E11 PolarHBondContact O-N 3.47Å; S8-E11 PolarHBondContact OG-OE1 3.19Å
9S53.8Low54.1Low108 Ų108109.6 Ų109.676%0.75564%0.639SS**THydrogen-bonded Turntrans-72.916.8175.860.90000113.9
10L53.3Low55.7Low65 Ų65106.3 Ų106.334%0.3462%0.62SS.*THydrogen-bonded Turntrans-110.9-17.1-177-62.6174.1000112.2S8 D12 L13 V20S8-L10 PolarHBondContact O-N 3.4Å; L10-D12 PolarHBondContact O-N 3.17Å; L10-L13 HydrophobicContact CD2-CD1 4.17Å; L10-L13 PolarHBondContact O-N 3.01Å; L10-V20 HydrophobicContact CD1-CG1 4.26Å
11E53.5Low57.2Low130 Ų130107.7 Ų107.761%0.60762%0.621SS**G310 helixtrans-61.2-19.8172.8-72.6153.9-131.700113S8 L13S8-E11 PolarHBondContact N-OE1 2.84Å; S8-E11 PolarHBondContact O-N 3.47Å; S8-E11 PolarHBondContact OG-OE1 3.19Å; E11-L13 VanDerWaalsContact C-N 3.33Å
12D53.8Low60Low68 Ų68103.6 Ų103.636%0.36459%0.592SS.*G310 helixtrans-81-4.2179.9-85.9-31.3000114L10L10-D12 PolarHBondContact O-N 3.17Å
13L61.6Low62.8Low109 Ų109102.1 Ų102.157%0.57157%0.568SS**G310 helixtrans-103.18.2-172.6-70.5173.9000114.8L10 E11 L15L10-L13 HydrophobicContact CD2-CD1 4.17Å; L10-L13 PolarHBondContact O-N 3.01Å; E11-L13 VanDerWaalsContact C-N 3.33Å; L13-L15 HydrophobicContact CB-CD1 3.76Å; L13-L15 HydrophobicContact CB-CG 3.67Å; L13-L15 HydrophobicContact CD1-CD1 3.93Å; L13-L15 PolarHBondContact O-N 2.82Å; L13-L15 VanDerWaalsContact O-N 3.08Å
14D63.8Low65.6Low140 Ų14095.5 Ų95.575%0.74955%0.545SS*.THydrogen-bonded Turntrans51.627.9-176.3-61.4-30.1000113.8
15L76.3Confident68.6Low50 Ų5093.9 Ų93.926%0.26253%0.528SS..  trans-78.4135.6-179.4-62.9170.5000111.4L13 E19 V20 L23L13-L15 HydrophobicContact CB-CD1 3.76Å; L13-L15 HydrophobicContact CB-CG 3.67Å; L13-L15 HydrophobicContact CD1-CD1 3.93Å; L13-L15 PolarHBondContact O-N 2.82Å; L13-L15 VanDerWaalsContact O-N 3.08Å; L15-E19 HydrophobicContact CB-CB 4.24Å; L15-E19 HydrophobicContact CD2-CB 4.09Å; L15-V20 HydrophobicContact CB-CG2 3.67Å; L15-V20 HydrophobicContact CD1-CG2 4.07Å; L15-L23 HydrophobicContact CD1-CD1 3.86Å; L15-L23 HydrophobicContact CD2-CD1 4.34Å
16S82.5Confident71.3Confident50 Ų5086.2 Ų86.235%0.3550%0.497SS..  trans-62.4155.9165.265.80000111.4E18 E19 V20S16-E18 PolarHBondContact O-N 3.26Å; S16-E19 VanDerWaalsContact CB-OE2 3.26Å; S16-E19 WeakPolarHBondContact CB-OE2 3.24Å; S16-E19 PolarHBondContact N-OE2 2.82Å; S16-E19 PolarHBondContact O-N 2.78Å; S16-E19 VanDerWaalsContact OG-CD 3.27Å; S16-E19 VanDerWaalsContact OG-CG 3.24Å; S16-E19 WeakPolarHBondContact OG-CG 3.24Å; S16-E19 PolarHBondContact OG-N 2.96Å; S16-E19 PolarHBondContact OG-OE2 2.87Å; S16-V20 PolarHBondContact O-N 2.95Å
17G84.9Confident74Confident59 Ų5986 Ų8661%0.60848%0.478SS*.Hα-helixtrans-56.9-33.717600000112.9Q21G17-Q21 WeakPolarHBondContact O-CB 3.25Å; G17-Q21 PolarHBondContact O-N 2.68Å
18E87.6Confident76.7Confident138 Ų13887.9 Ų87.965%0.64548%0.476SS*.Hα-helixtrans-68.7-38.3175.8-61.8-176-178.400112.6S16 Q21 R22S16-E18 PolarHBondContact O-N 3.26Å; E18-Q21 PolarHBondContact O-N 2.83Å; E18-R22 WeakPolarHBondContact O-CB 3.37Å; E18-R22 VanDerWaalsContact O-CG 3.27Å; E18-R22 WeakPolarHBondContact O-CG 3.46Å; E18-R22 PolarHBondContact O-N 3.23Å; E18-R22 PolarHBondContact O-NE 2.73Å
19E84.8Confident79.1Confident74 Ų7488.6 Ų88.635%0.34648%0.475SS..Hα-helixtrans-69-42.7174-72.1163123.900111.7L15 S16 Q21 R22 L23L15-E19 HydrophobicContact CB-CB 4.24Å; L15-E19 HydrophobicContact CD2-CB 4.09Å; S16-E19 VanDerWaalsContact CB-OE2 3.26Å; S16-E19 WeakPolarHBondContact CB-OE2 3.24Å; S16-E19 PolarHBondContact N-OE2 2.82Å; S16-E19 PolarHBondContact O-N 2.78Å; S16-E19 VanDerWaalsContact OG-CD 3.27Å; S16-E19 VanDerWaalsContact OG-CG 3.24Å; S16-E19 WeakPolarHBondContact OG-CG 3.24Å; S16-E19 PolarHBondContact OG-N 2.96Å; S16-E19 PolarHBondContact OG-OE2 2.87Å; E19-Q21 VanDerWaalsContact C-N 3.28Å; E19-Q21 PolarHBondContact O-N 2.9Å; E19-R22 PolarHBondContact O-N 2.81Å; E19-L23 WeakPolarHBondContact O-CB 3.42Å; E19-L23 WeakPolarHBondContact O-CG 3.48Å; E19-L23 PolarHBondContact O-N 2.91Å
20V86Confident81Confident42 Ų4288.1 Ų88.126%0.25547%0.47SS..Hα-helixtrans-58.8-42.8173.6176.80000110.3L10 L15 S16 T24L10-V20 HydrophobicContact CD1-CG1 4.26Å; L15-V20 HydrophobicContact CB-CG2 3.67Å; L15-V20 HydrophobicContact CD1-CG2 4.07Å; S16-V20 PolarHBondContact O-N 2.95Å; V20-T24 WeakPolarHBondContact O-CB 3.29Å; V20-T24 PolarHBondContact O-N 2.82Å; V20-T24 PolarHBondContact O-OG1 2.86Å
21Q87.8Confident83Confident137 Ų13791.7 Ų91.764%0.6448%0.483SS*.Hα-helixtrans-68.3-42.6177.6-171.9173.22.600112.5G17 E18 E19 T24 S25G17-Q21 WeakPolarHBondContact O-CB 3.25Å; G17-Q21 PolarHBondContact O-N 2.68Å; E18-Q21 PolarHBondContact O-N 2.83Å; E19-Q21 VanDerWaalsContact C-N 3.28Å; E19-Q21 PolarHBondContact O-N 2.9Å; Q21-T24 PolarHBondContact O-N 2.9Å; Q21-S25 WeakPolarHBondContact O-CB 3.36Å; Q21-S25 PolarHBondContact O-N 3.31Å; Q21-S25 PolarHBondContact O-OG 2.8Å
22R90.6Very high85Confident158 Ų15888.4 Ų88.460%0.59647%0.466SS*.Hα-helixtrans-62.4-48.8176.3-78.9-176.5-71.4173.6-2.8111.7E18 E19 S25 A26E18-R22 WeakPolarHBondContact O-CB 3.37Å; E18-R22 VanDerWaalsContact O-CG 3.27Å; E18-R22 WeakPolarHBondContact O-CG 3.46Å; E18-R22 PolarHBondContact O-N 3.23Å; E18-R22 PolarHBondContact O-NE 2.73Å; E19-R22 PolarHBondContact O-N 2.81Å; R22-S25 PolarHBondContact O-N 3.24Å; R22-A26 WeakPolarHBondContact O-CB 3.32Å; R22-A26 PolarHBondContact O-N 2.82Å
23L88.1Confident86.9Confident75 Ų7592.1 Ų92.139%0.39348%0.475SS..Hα-helixtrans-61-46175.3-73168.2000111.4L15 E19 S25 A26 F27L15-L23 HydrophobicContact CD1-CD1 3.86Å; L15-L23 HydrophobicContact CD2-CD1 4.34Å; E19-L23 WeakPolarHBondContact O-CB 3.42Å; E19-L23 WeakPolarHBondContact O-CG 3.48Å; E19-L23 PolarHBondContact O-N 2.91Å; L23-S25 PolarHBondContact O-N 3.22Å; L23-A26 PolarHBondContact O-N 2.82Å; L23-F27 HydrophobicContact CD2-CE2 4.38Å; L23-F27 VanDerWaalsContact O-CD2 3.24Å; L23-F27 WeakPolarHBondContact O-CD2 3.19Å; L23-F27 PolarHBondContact O-N 2.85Å
24T89.4Confident88.5Confident62 Ų6295.1 Ų95.138%0.3848%0.479SS..Hα-helixtrans-59.7-36.3177.7-62.40000112V20 Q21 Q28V20-T24 WeakPolarHBondContact O-CB 3.29Å; V20-T24 PolarHBondContact O-N 2.82Å; V20-T24 PolarHBondContact O-OG1 2.86Å; Q21-T24 PolarHBondContact O-N 2.9Å; T24-Q28 WeakPolarHBondContact O-CG 3.41Å; T24-Q28 PolarHBondContact O-N 3.25Å; T24-Q28 PolarHBondContact O-NE2 2.77Å
25S91.7Very high90Very high65 Ų6592.9 Ų92.946%0.45547%0.465SS..Hα-helixtrans-73.9-43.6176.5-53.80000111.8Q21 R22 L23 F27 Q28 D29Q21-S25 WeakPolarHBondContact O-CB 3.36Å; Q21-S25 PolarHBondContact O-N 3.31Å; Q21-S25 PolarHBondContact O-OG 2.8Å; R22-S25 PolarHBondContact O-N 3.24Å; L23-S25 PolarHBondContact O-N 3.22Å; S25-F27 PolarHBondContact O-N 3.04Å; S25-Q28 WeakPolarHBondContact O-CB 3.39Å; S25-Q28 PolarHBondContact O-N 2.81Å; S25-D29 PolarHBondContact O-N 2.62Å
26A90.9Very high90.8Very high29 Ų2995.2 Ų95.224%0.2447%0.474CS..Hα-helixtrans-60.4-42.7175.800000111.9R22 L23 Q28 D29 F32R22-A26 WeakPolarHBondContact O-CB 3.32Å; R22-A26 PolarHBondContact O-N 2.82Å; L23-A26 PolarHBondContact O-N 2.82Å; A26-Q28 PolarHBondContact O-N 2.86Å; A26-D29 PolarHBondContact O-N 3.19Å; A26-D29 VanDerWaalsContact O-N 3.07Å; A26-F32 VanDerWaalsContact C-CD1 3.5Å; A26-F32 HydrophobicContact CB-CD1 3.89Å; A26-F32 HydrophobicContact CB-CD2 4.24Å; A26-F32 HydrophobicContact CB-CE1 3.91Å; A26-F32 HydrophobicContact CB-CE2 4.26Å; A26-F32 HydrophobicContact CB-CG 4.06Å; A26-F32 HydrophobicContact CB-CZ 4.11Å; A26-F32 WeakPolarHBondContact O-CB 3.4Å; A26-F32 WeakPolarHBondContact O-CD1 3.18Å
27F91.3Very high91.2Very high91 Ų9195.8 Ų95.840%0.39948%0.477SS..THydrogen-bonded Turntrans-70.8-8.9175.8-78.5-67.2000114.5L23 S25 F32 R33 F36L23-F27 HydrophobicContact CD2-CE2 4.38Å; L23-F27 VanDerWaalsContact O-CD2 3.24Å; L23-F27 WeakPolarHBondContact O-CD2 3.19Å; L23-F27 PolarHBondContact O-N 2.85Å; S25-F27 PolarHBondContact O-N 3.04Å; F27-F32 HydrophobicContact CD1-CD1 4.34Å; F27-F32 HydrophobicContact CD1-CE1 4.01Å; F27-F32 HydrophobicContact CD2-CE1 4.48Å; F27-F32 AromaticContact CE1-CE1 3.87Å; F27-F32 HydrophobicContact CE1-CE1 3.87Å; F27-F32 HydrophobicContact CE2-CE1 4.35Å; F27-F32 HydrophobicContact CG-CE1 4.31Å; F27-F32 HydrophobicContact CZ-CE1 4.04Å; F27-R33 HydrophobicContact CD1-CG 4.39Å; F27-R33 WeakPolarHBondContact O-CD 3.4Å; F27-R33 WeakPolarHBondContact O-CG 3.31Å; F27-F36 HydrophobicContact CE1-CD1 4.01Å; F27-F36 HydrophobicContact CE1-CE1 4.16Å; F27-F36 HydrophobicContact CE1-CG 4.31Å; F27-F36 HydrophobicContact CZ-CD1 4.45Å; F27-F36 HydrophobicContact CZ-CE1 4.25Å; F27-F36 HydrophobicContact CZ-CE2 4.43Å; F27-F36 HydrophobicContact CZ-CZ 4.24Å
28Q93.3Very high91.5Very high142 Ų14296.9 Ų96.966%0.66447%0.466SS*.THydrogen-bonded Turntrans-82.8-25.7167.7-71.8168.940.500112.4T24 S25 A26 P30T24-Q28 WeakPolarHBondContact O-CG 3.41Å; T24-Q28 PolarHBondContact O-N 3.25Å; T24-Q28 PolarHBondContact O-NE2 2.77Å; S25-Q28 WeakPolarHBondContact O-CB 3.39Å; S25-Q28 PolarHBondContact O-N 2.81Å; A26-Q28 PolarHBondContact O-N 2.86Å; Q28-P30 WeakPolarHBondContact O-CD 3.5Å
29D95.6Very high91.6Very high68 Ų6896.7 Ų96.736%0.36446%0.461SS..  trans-70.7119.4175.3171.625.9000111.1S25 A26 K31 F32 R33S25-D29 PolarHBondContact O-N 2.62Å; A26-D29 PolarHBondContact O-N 3.19Å; A26-D29 VanDerWaalsContact O-N 3.07Å; D29-K31 PolarHBondContact O-N 3.11Å; D29-K31 WeakPolarHBondContact OD1-CB 3.47Å; D29-K31 PolarHBondContact OD1-N 3.24Å; D29-K31 WeakPolarHBondContact OD2-CB 3.31Å; D29-F32 HydrophobicContact CB-CB 3.97Å; D29-F32 PolarHBondContact O-N 2.62Å; D29-F32 WeakPolarHBondContact OD2-CB 3.43Å; D29-F32 PolarHBondContact OD2-N 2.88Å; D29-R33 WeakPolarHBondContact O-CG 3.5Å; D29-R33 PolarHBondContact O-N 3.13Å
30P94.9Very high91.8Very high99 Ų9995 Ų9564%0.64346%0.46SS*.Hα-helixtrans-63.7-27.2175.727.2-35.6000113.3Q28 R34Q28-P30 WeakPolarHBondContact O-CD 3.5Å; P30-R34 WeakPolarHBondContact O-CB 3.13Å; P30-R34 PolarHBondContact O-N 3.42Å
31K94.8Very high92Very high139 Ų13999.3 Ų99.360%0.60448%0.477SS*.Hα-helixtrans-71.2-51.9176.8-175.5-169175.7-171.10110.5D29 R33 R34 M35D29-K31 PolarHBondContact O-N 3.11Å; D29-K31 WeakPolarHBondContact OD1-CB 3.47Å; D29-K31 PolarHBondContact OD1-N 3.24Å; D29-K31 WeakPolarHBondContact OD2-CB 3.31Å; K31-R33 VanDerWaalsContact C-N 3.34Å; K31-R33 PolarHBondContact O-N 3.18Å; K31-R34 PolarHBondContact O-N 2.64Å; K31-R34 VanDerWaalsContact O-N 3.13Å; K31-M35 HydrophobicContact CG-CE 4.17Å; K31-M35 HydrophobicContact CG-SD 4.28Å; K31-M35 WeakPolarHBondContact O-CG 3.46Å; K31-M35 PolarHBondContact O-N 2.81Å
32F95.1Very high92Very high61 Ų6197.6 Ų97.627%0.26847%0.469SS..Hα-helixtrans-52.8-50.4172.9179.1-94.7000111.6A26 F27 D29 R34 M35 F36A26-F32 VanDerWaalsContact C-CD1 3.5Å; A26-F32 HydrophobicContact CB-CD1 3.89Å; A26-F32 HydrophobicContact CB-CD2 4.24Å; A26-F32 HydrophobicContact CB-CE1 3.91Å; A26-F32 HydrophobicContact CB-CE2 4.26Å; A26-F32 HydrophobicContact CB-CG 4.06Å; A26-F32 HydrophobicContact CB-CZ 4.11Å; A26-F32 WeakPolarHBondContact O-CB 3.4Å; A26-F32 WeakPolarHBondContact O-CD1 3.18Å; F27-F32 HydrophobicContact CD1-CD1 4.34Å; F27-F32 HydrophobicContact CD1-CE1 4.01Å; F27-F32 HydrophobicContact CD2-CE1 4.48Å; F27-F32 AromaticContact CE1-CE1 3.87Å; F27-F32 HydrophobicContact CE1-CE1 3.87Å; F27-F32 HydrophobicContact CE2-CE1 4.35Å; F27-F32 HydrophobicContact CG-CE1 4.31Å; F27-F32 HydrophobicContact CZ-CE1 4.04Å; D29-F32 HydrophobicContact CB-CB 3.97Å; D29-F32 PolarHBondContact O-N 2.62Å; D29-F32 WeakPolarHBondContact OD2-CB 3.43Å; D29-F32 PolarHBondContact OD2-N 2.88Å; F32-R34 VanDerWaalsContact C-N 3.3Å; F32-R34 PolarHBondContact O-N 3.1Å; F32-M35 PolarHBondContact O-N 2.77Å; F32-F36 HydrophobicContact CE1-CB 4.34Å; F32-F36 HydrophobicContact CZ-CD2 4.32Å; F32-F36 VanDerWaalsContact O-CB 3.31Å; F32-F36 WeakPolarHBondContact O-CB 3.42Å; F32-F36 PolarHBondContact O-N 3.29Å
33R93.5Very high91.7Very high147 Ų14794.5 Ų94.556%0.55546%0.464SS*.Hα-helixtrans-53.8-44.8175.8-80.2175.145.1169.2-4.5113F27 D29 K31 S37F27-R33 HydrophobicContact CD1-CG 4.39Å; F27-R33 WeakPolarHBondContact O-CD 3.4Å; F27-R33 WeakPolarHBondContact O-CG 3.31Å; D29-R33 WeakPolarHBondContact O-CG 3.5Å; D29-R33 PolarHBondContact O-N 3.13Å; K31-R33 VanDerWaalsContact C-N 3.34Å; K31-R33 PolarHBondContact O-N 3.18Å; R33-S37 WeakPolarHBondContact O-CB 3.27Å; R33-S37 PolarHBondContact O-N 3.48Å; R33-S37 PolarHBondContact O-OG 2.72Å; R33-S37 VanDerWaalsContact O-OG 3.06Å
34R96.3Very high91.4Very high172 Ų17296.3 Ų96.365%0.64948%0.478SS*.Hα-helixtrans-63.2-48.6178.5179.7-179.3174.1175.80.7111.4P30 K31 F32 S37 Q38P30-R34 WeakPolarHBondContact O-CB 3.13Å; P30-R34 PolarHBondContact O-N 3.42Å; K31-R34 PolarHBondContact O-N 2.64Å; K31-R34 VanDerWaalsContact O-N 3.13Å; F32-R34 VanDerWaalsContact C-N 3.3Å; F32-R34 PolarHBondContact O-N 3.1Å; R34-S37 PolarHBondContact O-N 3.28Å; R34-Q38 WeakPolarHBondContact O-CG 3.34Å; R34-Q38 PolarHBondContact O-N 3.47Å
35M94.7Very high91.4Very high93 Ų9396.1 Ų96.146%0.45848%0.475SS..Hα-helixtrans-64-41.4179.6-63.7-176-52.100111.4K31 F32 Q38 Y39K31-M35 HydrophobicContact CG-CE 4.17Å; K31-M35 HydrophobicContact CG-SD 4.28Å; K31-M35 WeakPolarHBondContact O-CG 3.46Å; K31-M35 PolarHBondContact O-N 2.81Å; F32-M35 PolarHBondContact O-N 2.77Å; M35-Q38 PolarHBondContact O-N 2.59Å; M35-Y39 WeakPolarHBondContact O-CB 3.43Å; M35-Y39 PolarHBondContact O-N 3Å
36F93.1Very high91.2Very high99 Ų9997.1 Ų97.143%0.43448%0.48SS..Hα-helixtrans-63.1-40.7175.5-174.6-93.3000112.3F27 F32 A40F27-F36 HydrophobicContact CE1-CD1 4.01Å; F27-F36 HydrophobicContact CE1-CE1 4.16Å; F27-F36 HydrophobicContact CE1-CG 4.31Å; F27-F36 HydrophobicContact CZ-CD1 4.45Å; F27-F36 HydrophobicContact CZ-CE1 4.25Å; F27-F36 HydrophobicContact CZ-CE2 4.43Å; F27-F36 HydrophobicContact CZ-CZ 4.24Å; F32-F36 HydrophobicContact CE1-CB 4.34Å; F32-F36 HydrophobicContact CZ-CD2 4.32Å; F32-F36 VanDerWaalsContact O-CB 3.31Å; F32-F36 WeakPolarHBondContact O-CB 3.42Å; F32-F36 PolarHBondContact O-N 3.29Å; F36-A40 WeakPolarHBondContact O-CB 3.41Å; F36-A40 PolarHBondContact O-N 2.86Å
37S90.7Very high91.2Very high61 Ų61100.6 Ų100.643%0.42749%0.491SS..Hα-helixtrans-63.7-45.5172.8-66.90000112.2R33 R34 Y39 A40 E41R33-S37 WeakPolarHBondContact O-CB 3.27Å; R33-S37 PolarHBondContact O-N 3.48Å; R33-S37 PolarHBondContact O-OG 2.72Å; R33-S37 VanDerWaalsContact O-OG 3.06Å; R34-S37 PolarHBondContact O-N 3.28Å; S37-Y39 PolarHBondContact O-N 3.04Å; S37-A40 PolarHBondContact O-N 3.45Å; S37-E41 WeakPolarHBondContact O-CG 3.44Å; S37-E41 PolarHBondContact O-N 2.83Å
38Q92.6Very high91.1Very high82 Ų8297.6 Ų97.638%0.38348%0.479SS..Hα-helixtrans-61-44.3177-71.7176.4-60.900111.7R34 M35 A40 E41 E42R34-Q38 WeakPolarHBondContact O-CG 3.34Å; R34-Q38 PolarHBondContact O-N 3.47Å; M35-Q38 PolarHBondContact O-N 2.59Å; Q38-A40 PolarHBondContact O-N 2.86Å; Q38-E41 WeakPolarHBondContact O-CB 3.22Å; Q38-E41 PolarHBondContact O-N 2.87Å; Q38-E42 WeakPolarHBondContact O-CB 3.3Å; Q38-E42 WeakPolarHBondContact O-CG 3.32Å; Q38-E42 PolarHBondContact O-N 2.87Å
39Y89.8Confident90.9Very high134 Ų13495 Ų9553%0.52546%0.464SS..Hα-helixtrans-61.4-42.6174.7177.6-108.3000112.6M35 S37 E41 E42 L43M35-Y39 WeakPolarHBondContact O-CB 3.43Å; M35-Y39 PolarHBondContact O-N 3Å; S37-Y39 PolarHBondContact O-N 3.04Å; Y39-E41 PolarHBondContact O-N 2.75Å; Y39-E42 PolarHBondContact O-N 2.95Å; Y39-L43 HydrophobicContact CD1-CD1 4.1Å; Y39-L43 HydrophobicContact CE1-CD1 3.47Å; Y39-L43 VanDerWaalsContact CE1-CD1 3.47Å; Y39-L43 HydrophobicContact CE1-CG 4.23Å; Y39-L43 HydrophobicContact CE2-CD1 4.22Å; Y39-L43 HydrophobicContact CE2-CD2 4.4Å; Y39-L43 HydrophobicContact CE2-CG 4.18Å; Y39-L43 WeakPolarHBondContact O-CG 3.45Å; Y39-L43 PolarHBondContact O-N 2.83Å
40A88.1Confident90.6Very high40 Ų4099.2 Ų99.233%0.33147%0.474SS..Hα-helixtrans-65.1-37.5175.500000112.4F36 S37 Q38 T44F36-A40 WeakPolarHBondContact O-CB 3.41Å; F36-A40 PolarHBondContact O-N 2.86Å; S37-A40 PolarHBondContact O-N 3.45Å; Q38-A40 PolarHBondContact O-N 2.86Å; A40-T44 WeakPolarHBondContact O-CB 3.33Å; A40-T44 VanDerWaalsContact O-CG2 3.31Å; A40-T44 WeakPolarHBondContact O-CG2 3.4Å; A40-T44 PolarHBondContact O-N 2.81Å; A40-T44 PolarHBondContact O-OG1 2.79Å
41E89.1Confident90.5Very high132 Ų132102.2 Ų102.262%0.61747%0.473SS*.Hα-helixtrans-65.3-42.7172.1-73.6169.4-169.200111.4S37 Q38 Y39 L43 T44 N45S37-E41 WeakPolarHBondContact O-CG 3.44Å; S37-E41 PolarHBondContact O-N 2.83Å; Q38-E41 WeakPolarHBondContact O-CB 3.22Å; Q38-E41 PolarHBondContact O-N 2.87Å; Y39-E41 PolarHBondContact O-N 2.75Å; E41-L43 PolarHBondContact O-N 2.91Å; E41-T44 PolarHBondContact O-N 3.44Å; E41-T44 PolarHBondContact O-OG1 2.89Å; E41-N45 WeakPolarHBondContact O-CB 3.46Å; E41-N45 PolarHBondContact O-N 2.82Å
42E89.4Confident90.2Very high101 Ų101101.1 Ų101.147%0.47247%0.466SS..Hα-helixtrans-63-41.3177.5-78173.2-177.700112.8Q38 Y39 N48Q38-E42 WeakPolarHBondContact O-CB 3.3Å; Q38-E42 WeakPolarHBondContact O-CG 3.32Å; Q38-E42 PolarHBondContact O-N 2.87Å; Y39-E42 PolarHBondContact O-N 2.95Å; E42-N48 VanDerWaalsContact O-CB 3.3Å; E42-N48 WeakPolarHBondContact O-CB 3.4Å; E42-N48 PolarHBondContact O-ND2 2.9Å
43L83.3Confident90.1Very high93 Ų9399.8 Ų99.849%0.48746%0.46SS..Hα-helixtrans-71.2-34.5175.5-72.8-176.7000113.5Y39 E41Y39-L43 HydrophobicContact CD1-CD1 4.1Å; Y39-L43 HydrophobicContact CE1-CD1 3.47Å; Y39-L43 VanDerWaalsContact CE1-CD1 3.47Å; Y39-L43 HydrophobicContact CE1-CG 4.23Å; Y39-L43 HydrophobicContact CE2-CD1 4.22Å; Y39-L43 HydrophobicContact CE2-CD2 4.4Å; Y39-L43 HydrophobicContact CE2-CG 4.18Å; Y39-L43 WeakPolarHBondContact O-CG 3.45Å; Y39-L43 PolarHBondContact O-N 2.83Å; E41-L43 PolarHBondContact O-N 2.91Å
44T82.5Confident90Very high113 Ų11395.7 Ų95.769%0.69346%0.458SS*.Hα-helixtrans-85.2-14.3-17953.10000113.4A40 E41 P46A40-T44 WeakPolarHBondContact O-CB 3.33Å; A40-T44 VanDerWaalsContact O-CG2 3.31Å; A40-T44 WeakPolarHBondContact O-CG2 3.4Å; A40-T44 PolarHBondContact O-N 2.81Å; A40-T44 PolarHBondContact O-OG1 2.79Å; E41-T44 PolarHBondContact O-N 3.44Å; E41-T44 PolarHBondContact O-OG1 2.89Å; T44-P46 WeakPolarHBondContact O-CD 3.4Å
45N88.3Confident89.8Confident58 Ų5892.9 Ų92.931%0.3145%0.452SS..  trans-65.4119.1176.1-177.6-14.9000111.3E41 E47 N48 R49E41-N45 WeakPolarHBondContact O-CB 3.46Å; E41-N45 PolarHBondContact O-N 2.82Å; N45-E47 PolarHBondContact O-N 2.93Å; N45-E47 WeakPolarHBondContact OD1-CB 3.31Å; N45-E47 PolarHBondContact OD1-N 3.22Å; N45-N48 HydrophobicContact CB-CB 4.17Å; N45-N48 PolarHBondContact O-N 3.06Å; N45-R49 PolarHBondContact O-N 3Å
46P88.1Confident89.6Confident85 Ų8591.8 Ų91.855%0.55245%0.447SS*.Hα-helixtrans-65.7-22.8-178.327.9-36.2000113.6T44 R50T44-P46 WeakPolarHBondContact O-CD 3.4Å; P46-R50 WeakPolarHBondContact O-CB 3.41Å; P46-R50 PolarHBondContact O-N 3.23Å
47E91.3Very high89.4Confident102 Ų10289.2 Ų89.248%0.47744%0.44SS..Hα-helixtrans-75.6-42.7176-60.6-165.6160.900112.1N45 R50 R51N45-E47 PolarHBondContact O-N 2.93Å; N45-E47 WeakPolarHBondContact OD1-CB 3.31Å; N45-E47 PolarHBondContact OD1-N 3.22Å; E47-R50 PolarHBondContact O-N 2.79Å; E47-R51 WeakPolarHBondContact O-CG 3.28Å; E47-R51 PolarHBondContact O-N 2.87Å
48N89.6Confident89.4Confident29 Ų2988.5 Ų88.516%0.15544%0.437CS..Hα-helixtrans-61.7-49.2173.8-73-5.8000110E42 N45 R50 R51 Y52E42-N48 VanDerWaalsContact O-CB 3.3Å; E42-N48 WeakPolarHBondContact O-CB 3.4Å; E42-N48 PolarHBondContact O-ND2 2.9Å; N45-N48 HydrophobicContact CB-CB 4.17Å; N45-N48 PolarHBondContact O-N 3.06Å; N48-R50 VanDerWaalsContact C-N 3.28Å; N48-R50 PolarHBondContact O-N 3.22Å; N48-R51 WeakPolarHBondContact O-CA 3.22Å; N48-R51 WeakPolarHBondContact O-CB 3.32Å; N48-R51 PolarHBondContact O-N 3.4Å; N48-Y52 HydrophobicContact CB-CD2 4.39Å; N48-Y52 HydrophobicContact CB-CE2 3.93Å; N48-Y52 WeakPolarHBondContact O-CD2 3.46Å; N48-Y52 PolarHBondContact O-N 3.11Å
49R87.3Confident89.2Confident88 Ų8888.4 Ų88.433%0.33244%0.439SS..Hα-helixtrans-51.7-46.1173.4-177.9176.9176.3157.69112.3N45 R51 Y52 E53 H71 A198N45-R49 PolarHBondContact O-N 3Å; R49-R51 PolarHBondContact O-N 2.86Å; R49-Y52 PolarHBondContact O-N 3.46Å; R49-E53 HydrophobicContact CG-CG 4.42Å; R49-E53 WeakPolarHBondContact CG-OE1 3.34Å; R49-E53 IonicContact CZ-OE1 3.93Å; R49-E53 IonicContact NE-OE1 2.75Å; R49-E53 PolarHBondContact NE-OE1 2.97Å; R49-E53 IonicContact NH2-OE1 3.24Å; R49-E53 PolarHBondContact NH2-OE1 3.35Å; R49-E53 WeakPolarHBondContact O-CB 3.44Å; R49-E53 WeakPolarHBondContact O-CG 3.1Å; R49-E53 PolarHBondContact O-N 3.13Å; R49-H71 PolarHBondContact NH2-CD2 3.39Å; R49-H71 PolarHBondContact NH2-NE2 2.8Å; R49-A198 VanDerWaalsContact NH2-CB 3.3Å
50R90.5Very high89Confident155 Ų15582.7 Ų82.759%0.58542%0.417SS*.Hα-helixtrans-63-38.2177-171.5-171.2-59.6122.31.8112.6P46 E47 N48 A54P46-R50 WeakPolarHBondContact O-CB 3.41Å; P46-R50 PolarHBondContact O-N 3.23Å; E47-R50 PolarHBondContact O-N 2.79Å; N48-R50 VanDerWaalsContact C-N 3.28Å; N48-R50 PolarHBondContact O-N 3.22Å; R50-A54 VanDerWaalsContact O-CB 3.3Å; R50-A54 WeakPolarHBondContact O-CB 3.47Å; R50-A54 PolarHBondContact O-N 3.47Å
51R92Very high89Confident162 Ų16288.7 Ų88.761%0.61143%0.431SS*.Hα-helixtrans-64.9-49.6175.5-71.3174.3-176.51593.8111.1E47 N48 R49 E53 A54 E55E47-R51 WeakPolarHBondContact O-CG 3.28Å; E47-R51 PolarHBondContact O-N 2.87Å; N48-R51 WeakPolarHBondContact O-CA 3.22Å; N48-R51 WeakPolarHBondContact O-CB 3.32Å; N48-R51 PolarHBondContact O-N 3.4Å; R49-R51 PolarHBondContact O-N 2.86Å; R51-E53 PolarHBondContact O-N 3.4Å; R51-A54 PolarHBondContact O-N 3.12Å; R51-E55 WeakPolarHBondContact O-CB 3.29Å; R51-E55 PolarHBondContact O-N 3.13Å
52Y89.3Confident88.8Confident117 Ų11789.8 Ų89.846%0.45944%0.437SS..Hα-helixtrans-60.4-44176.8-62.7-55000112.2N48 R49 A54 E55 I56N48-Y52 HydrophobicContact CB-CD2 4.39Å; N48-Y52 HydrophobicContact CB-CE2 3.93Å; N48-Y52 WeakPolarHBondContact O-CD2 3.46Å; N48-Y52 PolarHBondContact O-N 3.11Å; R49-Y52 PolarHBondContact O-N 3.46Å; Y52-A54 VanDerWaalsContact C-N 3.35Å; Y52-A54 PolarHBondContact O-N 3.15Å; Y52-E55 PolarHBondContact O-N 3.47Å; Y52-I56 VanDerWaalsContact O-CG1 3.26Å; Y52-I56 WeakPolarHBondContact O-CG1 3.4Å; Y52-I56 PolarHBondContact O-N 2.82Å
53E92.4Very high88.5Confident32 Ų3291.9 Ų91.915%0.1544%0.44CS..Hα-helixtrans-62.3-40.7175.9-73.8175.8-17700111.5R49 R51 T57 F69 H71R49-E53 HydrophobicContact CG-CG 4.42Å; R49-E53 WeakPolarHBondContact CG-OE1 3.34Å; R49-E53 IonicContact CZ-OE1 3.93Å; R49-E53 IonicContact NE-OE1 2.75Å; R49-E53 PolarHBondContact NE-OE1 2.97Å; R49-E53 IonicContact NH2-OE1 3.24Å; R49-E53 PolarHBondContact NH2-OE1 3.35Å; R49-E53 WeakPolarHBondContact O-CB 3.44Å; R49-E53 WeakPolarHBondContact O-CG 3.1Å; R49-E53 PolarHBondContact O-N 3.13Å; R51-E53 PolarHBondContact O-N 3.4Å; E53-T57 WeakPolarHBondContact O-CB 3.42Å; E53-T57 PolarHBondContact O-N 2.99Å; E53-T57 PolarHBondContact O-OG1 2.89Å; E53-F69 HydrophobicContact CB-CD2 3.82Å; E53-F69 HydrophobicContact CB-CE2 3.74Å; E53-F69 HydrophobicContact CB-CG 4.39Å; E53-F69 HydrophobicContact CB-CZ 4.23Å; E53-F69 HydrophobicContact CG-CD1 4.06Å; E53-F69 HydrophobicContact CG-CD2 3.92Å; E53-F69 HydrophobicContact CG-CE1 4.08Å; E53-F69 HydrophobicContact CG-CE2 3.95Å; E53-F69 HydrophobicContact CG-CG 3.98Å; E53-F69 HydrophobicContact CG-CZ 4.02Å; E53-F69 WeakPolarHBondContact O-CE2 3.22Å; E53-H71 VanDerWaalsContact CD-NE2 3.26Å; E53-H71 IonicContact OE1-CD2 3.76Å; E53-H71 IonicContact OE1-CE1 3.6Å; E53-H71 IonicContact OE1-NE2 3.95Å; E53-H71 PolarHBondContact OE1-NE2 3.45Å; E53-H71 IonicContact OE2-CE1 2.77Å; E53-H71 PolarHBondContact OE2-CE1 2.98Å; E53-H71 IonicContact OE2-NE2 3.1Å; E53-H71 PolarHBondContact OE2-NE2 2.94Å
54A91.4Very high88.4Confident61 Ų6187.8 Ų87.850%0.50442%0.42SS..Hα-helixtrans-67.4-38.5176.500000113.3R50 R51 Y52 T57 A58R50-A54 VanDerWaalsContact O-CB 3.3Å; R50-A54 WeakPolarHBondContact O-CB 3.47Å; R50-A54 PolarHBondContact O-N 3.47Å; R51-A54 PolarHBondContact O-N 3.12Å; Y52-A54 VanDerWaalsContact C-N 3.35Å; Y52-A54 PolarHBondContact O-N 3.15Å; A54-T57 PolarHBondContact O-N 3.01Å; A54-A58 WeakPolarHBondContact O-CB 3.42Å; A54-A58 PolarHBondContact O-N 3.11Å
55E92.9Very high88.6Confident114 Ų11482.5 Ų82.553%0.53339%0.388SS..Hα-helixtrans-65.1-46.1175.4-175.4176.3-174.200111.4R51 Y52 T57 A58 L59R51-E55 WeakPolarHBondContact O-CB 3.29Å; R51-E55 PolarHBondContact O-N 3.13Å; Y52-E55 PolarHBondContact O-N 3.47Å; E55-T57 VanDerWaalsContact C-N 3.35Å; E55-T57 PolarHBondContact O-N 3.12Å; E55-A58 WeakPolarHBondContact O-CB 3.31Å; E55-A58 PolarHBondContact O-N 3.1Å; E55-A58 VanDerWaalsContact O-N 3.14Å; E55-L59 HydrophobicContact CG-CD1 4.19Å; E55-L59 WeakPolarHBondContact O-CG 3.37Å; E55-L59 PolarHBondContact O-N 3.13Å
56I89.1Confident88.6Confident70 Ų7082.7 Ų82.736%0.35939%0.387SS..Hα-helixtrans-60.1-45.1173.8-66.5164.1000110.7Y52 A58 L59 E60 F69Y52-I56 VanDerWaalsContact O-CG1 3.26Å; Y52-I56 WeakPolarHBondContact O-CG1 3.4Å; Y52-I56 PolarHBondContact O-N 2.82Å; I56-A58 VanDerWaalsContact C-N 3.29Å; I56-A58 PolarHBondContact O-N 2.7Å; I56-L59 PolarHBondContact O-N 2.57Å; I56-E60 HydrophobicContact CG2-CG 4.14Å; I56-E60 WeakPolarHBondContact O-CB 3.35Å; I56-E60 VanDerWaalsContact O-CG 3.23Å; I56-E60 WeakPolarHBondContact O-CG 3.37Å; I56-E60 PolarHBondContact O-N 3.17Å; I56-F69 HydrophobicContact CB-CZ 4.17Å; I56-F69 HydrophobicContact CD1-CZ 4.29Å; I56-F69 HydrophobicContact CG2-CE2 4.49Å; I56-F69 HydrophobicContact CG2-CZ 3.92Å
57T89.9Confident88.6Confident44 Ų4478.8 Ų78.827%0.2736%0.362SS..Hα-helixtrans-62.5-34.6176.3-70.30000112.1E53 A54 E55 R61 V67E53-T57 WeakPolarHBondContact O-CB 3.42Å; E53-T57 PolarHBondContact O-N 2.99Å; E53-T57 PolarHBondContact O-OG1 2.89Å; A54-T57 PolarHBondContact O-N 3.01Å; E55-T57 VanDerWaalsContact C-N 3.35Å; E55-T57 PolarHBondContact O-N 3.12Å; T57-R61 WeakPolarHBondContact O-CB 3.41Å; T57-R61 PolarHBondContact O-N 3.25Å; T57-R61 VanDerWaalsContact O-N 3.12Å; T57-V67 WeakPolarHBondContact CG2-O 3.06Å; T57-V67 PolarHBondContact OG1-O 3.38Å
58A90.1Very high88.6Confident46 Ų4679.4 Ų79.438%0.3836%0.359SS..Hα-helixtrans-68-51.7175.200000111.9A54 E55 I56 E60 R61 E62A54-A58 WeakPolarHBondContact O-CB 3.42Å; A54-A58 PolarHBondContact O-N 3.11Å; E55-A58 WeakPolarHBondContact O-CB 3.31Å; E55-A58 PolarHBondContact O-N 3.1Å; E55-A58 VanDerWaalsContact O-N 3.14Å; I56-A58 VanDerWaalsContact C-N 3.29Å; I56-A58 PolarHBondContact O-N 2.7Å; A58-E60 PolarHBondContact O-N 3.18Å; A58-R61 WeakPolarHBondContact O-CB 3.12Å; A58-R61 PolarHBondContact O-N 3.35Å; A58-R61 VanDerWaalsContact O-N 3.1Å; A58-E62 WeakPolarHBondContact O-CG 3.34Å; A58-E62 PolarHBondContact O-N 3.26Å
59L88.6Confident88.8Confident81 Ų8179.4 Ų79.442%0.42436%0.358SS..Hα-helixtrans-61.6-39.4-178.9-69.1169.8000113E55 I56 R63E55-L59 HydrophobicContact CG-CD1 4.19Å; E55-L59 WeakPolarHBondContact O-CG 3.37Å; E55-L59 PolarHBondContact O-N 3.13Å; I56-L59 PolarHBondContact O-N 2.57Å; L59-R63 WeakPolarHBondContact O-CG 3.43Å; L59-R63 PolarHBondContact O-N 2.83Å
60E86.4Confident89.1Confident13 Ų1375.2 Ų75.26%0.06134%0.343CS..Hα-helixtrans-74.3-30.8176.6-61.1-89.8-112.700111.1I56 A58 R63 G64 V65 V67 R202 Y226I56-E60 HydrophobicContact CG2-CG 4.14Å; I56-E60 WeakPolarHBondContact O-CB 3.35Å; I56-E60 VanDerWaalsContact O-CG 3.23Å; I56-E60 WeakPolarHBondContact O-CG 3.37Å; I56-E60 PolarHBondContact O-N 3.17Å; A58-E60 PolarHBondContact O-N 3.18Å; E60-R63 CarbonylContact O-C 3.56Å; E60-R63 WeakPolarHBondContact O-CA 3.39Å; E60-R63 WeakPolarHBondContact O-CB 3.34Å; E60-R63 PolarHBondContact O-N 3.15Å; E60-R63 VanDerWaalsContact O-N 3.14Å; E60-R63 IonicContact OE2-NH1 3.64Å; E60-R63 PolarHBondContact OE2-NH1 3.01Å; E60-G64 PolarHBondContact O-N 3.38Å; E60-V65 CarbonylContact C-O 3.44Å; E60-V65 WeakPolarHBondContact O-CA 3.3Å; E60-V65 WeakPolarHBondContact O-CB 3.47Å; E60-V65 PolarHBondContact O-N 2.84Å; E60-V65 VanDerWaalsContact O-O 3.11Å; E60-V67 HydrophobicContact CB-CB 4.31Å; E60-V67 HydrophobicContact CB-CG2 3.33Å; E60-V67 HydrophobicContact CG-CG2 3.77Å; E60-R202 IonicContact OE1-CZ 2.7Å; E60-R202 IonicContact OE1-NE 3.96Å; E60-R202 PolarHBondContact OE1-NE 2.94Å; E60-R202 IonicContact OE1-NH2 3.96Å; E60-R202 PolarHBondContact OE1-NH2 3.35Å; E60-Y226 PolarHBondContact OE2-OH 3.31Å
61R87.6Confident89.3Confident166 Ų16671 Ų7163%0.62633%0.329SS*.Hα-helixtrans-68.2-37.7174.6-172.7-174.5-179.2177.70.2112.3T57 A58 R63 G64 V65 L205T57-R61 WeakPolarHBondContact O-CB 3.41Å; T57-R61 PolarHBondContact O-N 3.25Å; T57-R61 VanDerWaalsContact O-N 3.12Å; A58-R61 WeakPolarHBondContact O-CB 3.12Å; A58-R61 PolarHBondContact O-N 3.35Å; A58-R61 VanDerWaalsContact O-N 3.1Å; R61-R63 PolarHBondContact O-N 2.78Å; R61-G64 PolarHBondContact O-N 3.39Å; R61-V65 VanDerWaalsContact CA-O 3.23Å; R61-V65 WeakPolarHBondContact CA-O 3.36Å; R61-V65 PolarHBondContact N-O 2.81Å; R61-L205 HydrophobicContact CG-CD1 3.96Å
62E84.3Confident89.4Confident156 Ų15663.8 Ų63.873%0.72930%0.303SS*.Hα-helixtrans-59.2-31.1170.6-72.8171.5-173.300111.9A58 G64A58-E62 WeakPolarHBondContact O-CG 3.34Å; A58-E62 PolarHBondContact O-N 3.26Å; E62-G64 PolarHBondContact O-N 3Å
63R83.1Confident89.8Confident144 Ų14463.5 Ų63.554%0.54331%0.306SS..THydrogen-bonded Turntrans-81.98.2173.3-61.6167.5178.6178.1-5.4113.9L59 E60 R61L59-R63 WeakPolarHBondContact O-CG 3.43Å; L59-R63 PolarHBondContact O-N 2.83Å; E60-R63 CarbonylContact O-C 3.56Å; E60-R63 WeakPolarHBondContact O-CA 3.39Å; E60-R63 WeakPolarHBondContact O-CB 3.34Å; E60-R63 PolarHBondContact O-N 3.15Å; E60-R63 VanDerWaalsContact O-N 3.14Å; E60-R63 IonicContact OE2-NH1 3.64Å; E60-R63 PolarHBondContact OE2-NH1 3.01Å; R61-R63 PolarHBondContact O-N 2.78Å
64G81.9Confident90Very high7 Ų764.9 Ų64.97%0.07232%0.318CS..THydrogen-bonded Turntrans86.414.9178.600000115.2E60 R61 E62 L205E60-G64 PolarHBondContact O-N 3.38Å; R61-G64 PolarHBondContact O-N 3.39Å; E62-G64 PolarHBondContact O-N 3Å; G64-L205 WeakPolarHBondContact O-CB 3.38Å; G64-L205 WeakPolarHBondContact O-CG 3.33Å; G64-L205 PolarHBondContact O-N 3.34Å
65V85.8Confident90.2Very high2 Ų262.6 Ų62.61%0.01230%0.3CS..EExtended strand (participates in β ladder)trans-125.1118.2-167.9-168.10000110.7E60 R61 V67 R202 Y230E60-V65 CarbonylContact C-O 3.44Å; E60-V65 WeakPolarHBondContact O-CA 3.3Å; E60-V65 WeakPolarHBondContact O-CB 3.47Å; E60-V65 PolarHBondContact O-N 2.84Å; E60-V65 VanDerWaalsContact O-O 3.11Å; R61-V65 VanDerWaalsContact CA-O 3.23Å; R61-V65 WeakPolarHBondContact CA-O 3.36Å; R61-V65 PolarHBondContact N-O 2.81Å; V65-V67 HydrophobicContact CG1-CG2 4.2Å; V65-V67 PolarHBondContact O-N 2.9Å; V65-R202 HydrophobicContact CG1-CB 4.01Å; V65-Y230 WeakPolarHBondContact CG2-OH 3.4Å
66E88.1Confident90.4Very high63 Ų6358.8 Ų58.829%0.29428%0.282SS..EExtended strand (participates in β ladder)trans-75.2127.9169.5-172.4178.1-172.500110.2R68 R202 T203 L205E66-R68 HydrophobicContact CG-CG 4.36Å; E66-R68 IonicContact OE1-CZ 3.75Å; E66-R68 IonicContact OE1-NE 3.85Å; E66-R68 PolarHBondContact OE1-NE 3.36Å; E66-R68 IonicContact OE1-NH2 2.78Å; E66-R68 PolarHBondContact OE1-NH2 2.79Å; E66-R68 IonicContact OE2-CZ 2.73Å; E66-R68 IonicContact OE2-NE 3.84Å; E66-R68 IonicContact OE2-NH2 3.61Å; E66-R68 PolarHBondContact OE2-NH2 2.7Å; E66-R202 WeakPolarHBondContact O-CA 3.11Å; E66-T203 PolarHBondContact N-O 2.7Å; E66-T203 PolarHBondContact O-N 2.85Å; E66-T203 PolarHBondContact O-OG1 3.5Å; E66-L205 HydrophobicContact CB-CD2 3.92Å
67V89.9Confident90.9Very high3 Ų355.4 Ų55.42%0.01827%0.265CS..EExtended strand (participates in β ladder)trans-119.6124.1179.2-179.30000110.6T57 E60 V65 F69 V200 L201 R202T57-V67 WeakPolarHBondContact CG2-O 3.06Å; T57-V67 PolarHBondContact OG1-O 3.38Å; E60-V67 HydrophobicContact CB-CB 4.31Å; E60-V67 HydrophobicContact CB-CG2 3.33Å; E60-V67 HydrophobicContact CG-CG2 3.77Å; V65-V67 HydrophobicContact CG1-CG2 4.2Å; V65-V67 PolarHBondContact O-N 2.9Å; V67-F69 HydrophobicContact CG1-CE2 4.15Å; V67-F69 HydrophobicContact CG1-CZ 4.36Å; V67-V200 HydrophobicContact CG1-CG1 3.42Å; V67-V200 VanDerWaalsContact CG1-CG1 3.42Å; V67-L201 WeakPolarHBondContact CA-O 3.47Å; V67-R202 HydrophobicContact CG2-CG 4.04Å
68R91.2Very high91.2Very high114 Ų11453.5 Ų53.543%0.4325%0.253SS..EExtended strand (participates in β ladder)trans-125.3129.2179.4-60-176.5-176.8166.37.1110.5E66 L97 L201E66-R68 HydrophobicContact CG-CG 4.36Å; E66-R68 IonicContact OE1-CZ 3.75Å; E66-R68 IonicContact OE1-NE 3.85Å; E66-R68 PolarHBondContact OE1-NE 3.36Å; E66-R68 IonicContact OE1-NH2 2.78Å; E66-R68 PolarHBondContact OE1-NH2 2.79Å; E66-R68 IonicContact OE2-CZ 2.73Å; E66-R68 IonicContact OE2-NE 3.84Å; E66-R68 IonicContact OE2-NH2 3.61Å; E66-R68 PolarHBondContact OE2-NH2 2.7Å; R68-L97 HydrophobicContact CB-CD1 4.34Å; R68-L201 HydrophobicContact CB-CB 4.48Å; R68-L201 PolarHBondContact N-O 3.28Å; R68-L201 PolarHBondContact O-N 2.83Å
69F92.6Very high91.5Very high30 Ų3053.4 Ų53.413%0.13224%0.243CC..EExtended strand (participates in β ladder)trans-90.1125.8176.9-65.2-92000110.4E53 I56 V67 H71 L97 A198 V200E53-F69 HydrophobicContact CB-CD2 3.82Å; E53-F69 HydrophobicContact CB-CE2 3.74Å; E53-F69 HydrophobicContact CB-CG 4.39Å; E53-F69 HydrophobicContact CB-CZ 4.23Å; E53-F69 HydrophobicContact CG-CD1 4.06Å; E53-F69 HydrophobicContact CG-CD2 3.92Å; E53-F69 HydrophobicContact CG-CE1 4.08Å; E53-F69 HydrophobicContact CG-CE2 3.95Å; E53-F69 HydrophobicContact CG-CG 3.98Å; E53-F69 HydrophobicContact CG-CZ 4.02Å; E53-F69 WeakPolarHBondContact O-CE2 3.22Å; I56-F69 HydrophobicContact CB-CZ 4.17Å; I56-F69 HydrophobicContact CD1-CZ 4.29Å; I56-F69 HydrophobicContact CG2-CE2 4.49Å; I56-F69 HydrophobicContact CG2-CZ 3.92Å; V67-F69 HydrophobicContact CG1-CE2 4.15Å; V67-F69 HydrophobicContact CG1-CZ 4.36Å; F69-H71 VanDerWaalsContact CB-CE1 3.47Å; F69-H71 WeakPolarHBondContact CB-CE1 3.38Å; F69-H71 PolarHBondContact O-ND1 3.28Å; F69-L97 WeakPolarHBondContact O-CD1 3.16Å; F69-A198 HydrophobicContact CB-CB 4.31Å; F69-A198 HydrophobicContact CD1-CB 4.47Å; F69-V200 HydrophobicContact CD1-CG2 3.83Å; F69-V200 HydrophobicContact CE1-CG1 4.41Å; F69-V200 HydrophobicContact CE1-CG2 3.69Å
70V94.1Very high91.9Very high0 Ų049.6 Ų49.60%022%0.223CC..EExtended strand (participates in β ladder)trans-102.889.4178.8-177.50000108.5P72 N95 L97 V98 V145 A198 A199 L201V70-P72 WeakPolarHBondContact O-CD 3.33Å; V70-N95 HydrophobicContact CG1-CB 3.76Å; V70-L97 HydrophobicContact CG2-CB 4.4Å; V70-L97 HydrophobicContact CG2-CD1 4.26Å; V70-V98 HydrophobicContact CG1-CG2 4.23Å; V70-V145 HydrophobicContact CG1-CB 4.4Å; V70-V145 HydrophobicContact CG1-CG1 4.01Å; V70-A198 WeakPolarHBondContact O-CA 3.34Å; V70-A199 HydrophobicContact CB-CB 4.44Å; V70-A199 PolarHBondContact N-O 2.81Å; V70-A199 PolarHBondContact O-N 2.85Å; V70-A199 VanDerWaalsContact O-N 3.12Å; V70-L201 HydrophobicContact CG2-CD1 3.5Å; V70-L201 VanDerWaalsContact CG2-CD1 3.5Å; V70-L201 HydrophobicContact CG2-CG 3.7Å
71H93.8Very high92.3Very high66 Ų6649 Ų4931%0.30622%0.221SC..PPolyproline II helixtrans-74.1121175.2-51.576.6000110.3R49 E53 F69 E73 N95R49-H71 PolarHBondContact NH2-CD2 3.39Å; R49-H71 PolarHBondContact NH2-NE2 2.8Å; E53-H71 VanDerWaalsContact CD-NE2 3.26Å; E53-H71 IonicContact OE1-CD2 3.76Å; E53-H71 IonicContact OE1-CE1 3.6Å; E53-H71 IonicContact OE1-NE2 3.95Å; E53-H71 PolarHBondContact OE1-NE2 3.45Å; E53-H71 IonicContact OE2-CE1 2.77Å; E53-H71 PolarHBondContact OE2-CE1 2.98Å; E53-H71 IonicContact OE2-NE2 3.1Å; E53-H71 PolarHBondContact OE2-NE2 2.94Å; F69-H71 VanDerWaalsContact CB-CE1 3.47Å; F69-H71 WeakPolarHBondContact CB-CE1 3.38Å; F69-H71 PolarHBondContact O-ND1 3.28Å; H71-E73 PolarHBondContact O-N 3.36Å; H71-N95 PolarHBondContact N-ND2 3.02Å; H71-N95 PolarHBondContact O-ND2 3.1Å
72P95.7Very high92.6Very high10 Ų1041.9 Ų41.97%0.06520%0.195CC..PPolyproline II helixtrans-75.4118.2-179.428.1-33.1000111.5V70 C93 V145 P196 E197V70-P72 WeakPolarHBondContact O-CD 3.33Å; P72-C93 HydrophobicContact CB-CB 3.73Å; P72-V145 HydrophobicContact CB-CG2 3.91Å; P72-P196 HydrophobicContact CG-CB 4.25Å; P72-E197 WeakPolarHBondContact CD-O 3.48Å; P72-E197 WeakPolarHBondContact CG-O 3.43Å
73E96.4Very high93Very high112 Ų11237.8 Ų37.852%0.52318%0.178SC..EExtended strand (participates in β ladder)trans-81.6128.1169.7-62.4-176.5147.900111H71 G75 C93 S94H71-E73 PolarHBondContact O-N 3.36Å; E73-G75 PolarHBondContact O-N 3.48Å; E73-G75 VanDerWaalsContact O-N 3.17Å; E73-C93 CarbonylContact O-C 3.6Å; E73-C93 WeakPolarHBondContact O-CA 3.29Å; E73-C93 VanDerWaalsContact O-CB 3.23Å; E73-C93 WeakPolarHBondContact O-CB 3.47Å; E73-S94 VanDerWaalsContact CB-O 3.27Å; E73-S94 WeakPolarHBondContact CB-O 3.48Å; E73-S94 WeakPolarHBondContact CG-O 3.37Å; E73-S94 PolarHBondContact N-O 3.14Å; E73-S94 PolarHBondContact O-N 3.3Å; E73-S94 PolarHBondContact OE2-OG 2.89Å; E73-S94 VanDerWaalsContact OE2-OG 3.05Å
74P96.9Very high93.3Very high61 Ų6132 Ų3240%0.39616%0.163SC..EExtended strand (participates in β ladder)trans-57.5112.2-179.5-33.540.4000116.3K191 Y192P74-K191 HydrophobicContact CB-CB 3.72Å; P74-Y192 HydrophobicContact CG-CD2 4.34Å; P74-Y192 HydrophobicContact CG-CG 4.32Å
75G96.1Very high93.6Very high13 Ų1333.5 Ų33.513%0.13417%0.171CC..EExtended strand (participates in β ladder)trans-94.9-88.8168.500000112.5E73 V92 K191E73-G75 PolarHBondContact O-N 3.48Å; E73-G75 VanDerWaalsContact O-N 3.17Å; G75-V92 WeakPolarHBondContact CA-O 3.38Å; G75-V92 PolarHBondContact N-O 3.44Å; G75-K191 CarbonylContact C-O 3.15Å; G75-K191 WeakPolarHBondContact O-CA 3.46Å; G75-K191 WeakPolarHBondContact O-CB 3.38Å
76H97.2Very high93.7Very high33 Ų3339 Ų3915%0.15319%0.191CC..EExtended strand (participates in β ladder)trans-148.3163.5178.460.9-95.3000111.9V92 D165 T187 K191H76-V92 PolarHBondContact N-O 2.86Å; H76-V92 VanDerWaalsContact N-O 3.08Å; H76-V92 PolarHBondContact O-N 2.96Å; H76-D165 IonicContact CD2-OD1 3.75Å; H76-D165 IonicContact CE1-OD1 3.11Å; H76-D165 IonicContact NE2-OD1 3.22Å; H76-D165 PolarHBondContact NE2-OD1 2.87Å; H76-D165 IonicContact NE2-OD2 3.44Å; H76-T187 HydrophobicContact CB-CG2 4.17Å; H76-K191 PolarHBondContact N-O 2.89Å
77V98.1Very high94Very high0 Ų038.4 Ų38.40%019%0.186CC..EExtended strand (participates in β ladder)trans-117.3126.6-176.7-1730000111.5F89 V90 N91 T187 L188 A190 Y192 K193V77-F89 HydrophobicContact CG1-CB 3.87Å; V77-F89 HydrophobicContact CG1-CD1 4.02Å; V77-F89 HydrophobicContact CG1-CG 4.43Å; V77-V90 WeakPolarHBondContact CA-O 3.37Å; V77-N91 VanDerWaalsContact CG2-OD1 3.23Å; V77-N91 WeakPolarHBondContact CG2-OD1 3.48Å; V77-T187 CarbonylContact O-C 3.6Å; V77-T187 WeakPolarHBondContact O-CA 3.28Å; V77-L188 HydrophobicContact CB-CB 4.38Å; V77-L188 HydrophobicContact CB-CD1 4.34Å; V77-L188 HydrophobicContact CG1-CD1 4.14Å; V77-L188 PolarHBondContact O-N 2.88Å; V77-A190 WeakPolarHBondContact CG2-O 3.01Å; V77-A190 PolarHBondContact N-O 3.37Å; V77-Y192 VanDerWaalsContact CG2-C 3.49Å; V77-Y192 VanDerWaalsContact CG2-CA 3.45Å; V77-K193 HydrophobicContact CG1-CB 3.98Å; V77-K193 HydrophobicContact CG2-CB 4.2Å
78L97.9Very high94.2Very high4 Ų438.3 Ų38.32%0.02119%0.185CC..EExtended strand (participates in β ladder)trans-89.7128.6168.3-53.9178.6000109.5F89 V90 V92 D165 L169 T187L78-F89 CarbonylContact O-C 3.55Å; L78-F89 VanDerWaalsContact O-CA 3.27Å; L78-F89 WeakPolarHBondContact O-CA 3.39Å; L78-V90 HydrophobicContact CB-CB 4.33Å; L78-V90 PolarHBondContact N-O 3.1Å; L78-V90 PolarHBondContact O-N 3.41Å; L78-V92 HydrophobicContact CD1-CG2 4.18Å; L78-V92 HydrophobicContact CG-CG2 4.27Å; L78-D165 HydrophobicContact CD1-CB 3.79Å; L78-D165 HydrophobicContact CD2-CB 4.28Å; L78-L169 HydrophobicContact CD1-CD1 4.43Å; L78-L169 HydrophobicContact CD1-CD2 4.32Å; L78-L169 HydrophobicContact CD1-CG 4.11Å; L78-T187 HydrophobicContact CD2-CG2 4.26Å
79R96.6Very high94.5Very high44 Ų4433.5 Ų33.517%0.16617%0.168CC..EExtended strand (participates in β ladder)trans-103.3122.1172.1-174.1-168.475.5-155.38.2110.6F89 A185 K186 L188 L291R79-F89 HydrophobicContact CB-CD1 4.02Å; R79-F89 HydrophobicContact CB-CE1 4.06Å; R79-F89 HydrophobicContact CG-CD1 3.93Å; R79-F89 HydrophobicContact CG-CE1 3.59Å; R79-F89 HydrophobicContact CG-CZ 4.18Å; R79-A185 WeakPolarHBondContact O-CA 3.22Å; R79-K186 PolarHBondContact N-O 2.98Å; R79-K186 PolarHBondContact O-N 3.05Å; R79-L188 HydrophobicContact CB-CD1 4.12Å; R79-L188 HydrophobicContact CB-CD2 3.94Å; R79-L188 HydrophobicContact CB-CG 4.05Å; R79-L291 HydrophobicContact CG-CD2 4.19Å
80T96.4Very high94.8Very high0 Ų032.1 Ų32.10%016%0.162CC..EExtended strand (participates in β ladder)trans-138.5-166.7177.1-175.40000110.1C88 L169 L180 D181 L291T80-C88 HydrophobicContact CG2-CB 3.89Å; T80-C88 PolarHBondContact N-O 2.91Å; T80-C88 PolarHBondContact O-N 2.76Å; T80-L169 HydrophobicContact CG2-CD2 4.1Å; T80-L180 HydrophobicContact CG2-CB 4.21Å; T80-L180 HydrophobicContact CG2-CD1 4.31Å; T80-L180 HydrophobicContact CG2-CD2 4.05Å; T80-L180 HydrophobicContact CG2-CG 4.43Å; T80-D181 WeakPolarHBondContact OG1-CA 3.26Å; T80-D181 WeakPolarHBondContact OG1-CB 3.48Å; T80-D181 PolarHBondContact OG1-N 3.46Å; T80-D181 VanDerWaalsContact OG1-N 3.11Å; T80-D181 PolarHBondContact OG1-O 2.97Å; T80-L291 WeakPolarHBondContact O-CD2 3.4Å
81S94.8Very high95Very high2 Ų232.1 Ų32.11%0.01416%0.162CC..EExtended strand (participates in β ladder)trans-124.4145.1171.547.80000111.5R86 L180 D181S81-R86 CarbonylContact C-O 3.27Å; S81-R86 WeakPolarHBondContact CA-O 3.45Å; S81-R86 VanDerWaalsContact CB-O 3.27Å; S81-R86 WeakPolarHBondContact CB-O 3.47Å; S81-L180 WeakPolarHBondContact O-CA 3.29Å; S81-D181 PolarHBondContact O-N 3.17Å; S81-D181 VanDerWaalsContact O-N 3.14Å; S81-D181 VanDerWaalsContact OG-CB 3.26Å; S81-D181 WeakPolarHBondContact OG-CB 3.5Å
82L94.3Very high95.2Very high16 Ų1629 Ų298%0.08415%0.147CC..EExtended strand (participates in β ladder)trans-94.3123.8177.3-166.367.5000109.4G84 T85 R86 C88 M140 Y142 V178 L180L82-G84 PolarHBondContact O-N 3.08Å; L82-T85 PolarHBondContact O-N 3.42Å; L82-T85 PolarHBondContact O-OG1 3.33Å; L82-R86 PolarHBondContact N-O 3.42Å; L82-R86 PolarHBondContact O-N 2.99Å; L82-C88 HydrophobicContact CB-CB 4.13Å; L82-M140 HydrophobicContact CD2-CB 4.16Å; L82-M140 HydrophobicContact CD2-CG 3.71Å; L82-Y142 HydrophobicContact CD1-CE2 4.39Å; L82-V178 HydrophobicContact CD1-CB 3.6Å; L82-V178 HydrophobicContact CD1-CG1 4.04Å; L82-V178 HydrophobicContact CD1-CG2 3.68Å; L82-L180 HydrophobicContact CD1-CD2 3.6Å
83D92.1Very high95.3Very high70 Ų7028.5 Ų28.537%0.37414%0.144SC..THydrogen-bonded Turntrans5028.4176.6-51.4-43.8000114.4T85 K179D83-T85 PolarHBondContact O-N 3.36Å; D83-T85 VanDerWaalsContact O-N 3.14Å; D83-K179 PolarHBondContact N-O 2.9Å; D83-K179 PolarHBondContact OD1-N 3.24Å
84G89.2Confident95.3Very high22 Ų2223.5 Ų23.523%0.22712%0.122CC..THydrogen-bonded Turntrans65.74.5-174.100000115.6L82 E288 P290L82-G84 PolarHBondContact O-N 3.08Å; G84-E288 VanDerWaalsContact O-CB 3.3Å; G84-E288 WeakPolarHBondContact O-CB 3.3Å; G84-P290 WeakPolarHBondContact O-CD 3.35Å
85T87.9Confident95.3Very high38 Ų3821.5 Ų21.523%0.23311%0.108CC..THydrogen-bonded Turntrans-105.3-51.7-172.657.50000113.8L82 D83L82-T85 PolarHBondContact O-N 3.42Å; L82-T85 PolarHBondContact O-OG1 3.33Å; D83-T85 PolarHBondContact O-N 3.36Å; D83-T85 VanDerWaalsContact O-N 3.14Å
86R89.3Confident95.4Very high119 Ų11924.3 Ų24.345%0.44913%0.13SC..EExtended strand (participates in β ladder)trans-117.3160.7-172.2-62.1-173.7-171.8-165.14110.7S81 L82 E130S81-R86 CarbonylContact C-O 3.27Å; S81-R86 WeakPolarHBondContact CA-O 3.45Å; S81-R86 VanDerWaalsContact CB-O 3.27Å; S81-R86 WeakPolarHBondContact CB-O 3.47Å; L82-R86 PolarHBondContact N-O 3.42Å; L82-R86 PolarHBondContact O-N 2.99Å; R86-E130 IonicContact CZ-OE1 2.75Å; R86-E130 IonicContact NH1-OE1 3.78Å; R86-E130 PolarHBondContact NH1-OE1 3.39Å; R86-E130 IonicContact NH1-OE2 3.7Å
87R92.8Very high95.2Very high50 Ų5026.8 Ų26.819%0.18914%0.143CC..EExtended strand (participates in β ladder)trans-75.2141.2172.4-69.7176.9-61.4178.20.6109.5F89 S137 Y139 M140 P290R87-F89 HydrophobicContact CB-CE2 4.28Å; R87-S137 PolarHBondContact NH2-O 2.93Å; R87-S137 PolarHBondContact NH2-OG 2.72Å; R87-Y139 VanDerWaalsContact O-CA 3.3Å; R87-Y139 WeakPolarHBondContact O-CA 3.29Å; R87-Y139 WeakPolarHBondContact O-CB 3.49Å; R87-M140 PolarHBondContact O-N 3.5Å; R87-P290 WeakPolarHBondContact CD-O 3.5Å; R87-P290 HydrophobicContact CG-CB 4.18Å; R87-P290 WeakPolarHBondContact CG-O 3.39Å
88C95.8Very high95Very high0 Ų027.3 Ų27.30%015%0.147CC..EExtended strand (participates in β ladder)trans-123.9143.6175.6-178.50000109.4T80 L82 M140 L180T80-C88 HydrophobicContact CG2-CB 3.89Å; T80-C88 PolarHBondContact N-O 2.91Å; T80-C88 PolarHBondContact O-N 2.76Å; L82-C88 HydrophobicContact CB-CB 4.13Å; C88-M140 CarbonylContact C-O 3.47Å; C88-M140 WeakPolarHBondContact CA-O 3.23Å; C88-L180 HydrophobicContact CB-CD2 4.24Å
89F97.4Very high94.8Very high14 Ų1429 Ų296%0.06117%0.165CC..EExtended strand (participates in β ladder)trans-126130170.6-58-96.2000108.5V77 L78 R79 R87 Y139 M140 V141 Y142 L188 K193V77-F89 HydrophobicContact CG1-CB 3.87Å; V77-F89 HydrophobicContact CG1-CD1 4.02Å; V77-F89 HydrophobicContact CG1-CG 4.43Å; L78-F89 CarbonylContact O-C 3.55Å; L78-F89 VanDerWaalsContact O-CA 3.27Å; L78-F89 WeakPolarHBondContact O-CA 3.39Å; R79-F89 HydrophobicContact CB-CD1 4.02Å; R79-F89 HydrophobicContact CB-CE1 4.06Å; R79-F89 HydrophobicContact CG-CD1 3.93Å; R79-F89 HydrophobicContact CG-CE1 3.59Å; R79-F89 HydrophobicContact CG-CZ 4.18Å; R87-F89 HydrophobicContact CB-CE2 4.28Å; F89-Y139 AromaticContact CD2-CD2 3.42Å; F89-Y139 HydrophobicContact CD2-CD2 3.42Å; F89-Y139 VanDerWaalsContact CD2-CD2 3.42Å; F89-Y139 HydrophobicContact CD2-CE2 4.1Å; F89-Y139 HydrophobicContact CD2-CG 4.03Å; F89-Y139 HydrophobicContact CE2-CD1 4.45Å; F89-Y139 AromaticContact CE2-CD2 3.45Å; F89-Y139 HydrophobicContact CE2-CD2 3.45Å; F89-Y139 VanDerWaalsContact CE2-CD2 3.45Å; F89-Y139 HydrophobicContact CE2-CE2 4.14Å; F89-Y139 AromaticContact CE2-CG 3.63Å; F89-Y139 HydrophobicContact CE2-CG 3.63Å; F89-M140 PolarHBondContact N-O 2.84Å; F89-V141 HydrophobicContact CB-CG2 4.41Å; F89-V141 CarbonylContact O-C 3.57Å; F89-V141 VanDerWaalsContact O-CA 3.28Å; F89-V141 WeakPolarHBondContact O-CA 3.49Å; F89-Y142 PolarHBondContact O-N 2.87Å; F89-L188 HydrophobicContact CD1-CD1 3.84Å; F89-L188 HydrophobicContact CE1-CD1 3.78Å; F89-K193 HydrophobicContact CB-CB 4.21Å; F89-K193 HydrophobicContact CB-CG 3.9Å; F89-K193 HydrophobicContact CD1-CG 4.07Å; F89-K193 HydrophobicContact CD2-CG 4.11Å; F89-K193 HydrophobicContact CG-CB 4.5Å; F89-K193 HydrophobicContact CG-CG 3.77Å
90V98.2Very high94.8Very high0 Ų029.4 Ų29.40%018%0.178CC..EExtended strand (participates in β ladder)trans-111.7112.5175.3-175.60000106.9V77 L78 Y142 V144 A168 L169 V172 L180V77-V90 WeakPolarHBondContact CA-O 3.37Å; L78-V90 HydrophobicContact CB-CB 4.33Å; L78-V90 PolarHBondContact N-O 3.1Å; L78-V90 PolarHBondContact O-N 3.41Å; V90-Y142 CarbonylContact C-O 3.5Å; V90-Y142 WeakPolarHBondContact CA-O 3.27Å; V90-V144 HydrophobicContact CG1-CG2 3.43Å; V90-V144 VanDerWaalsContact CG1-CG2 3.43Å; V90-A168 HydrophobicContact CG1-CB 4.43Å; V90-L169 HydrophobicContact CG2-CD2 4.1Å; V90-V172 HydrophobicContact CG1-CG2 4.26Å; V90-V172 HydrophobicContact CG2-CG2 4.36Å; V90-L180 HydrophobicContact CG2-CD1 4.28Å
91N98.1Very high94.7Very high0 Ų030.4 Ų30.40%018%0.184CC..EExtended strand (participates in β ladder)trans-82.8115.2175.7-61.7-40.3000108.3V77 V141 Y142 D143 V144 Y192 K193V77-N91 VanDerWaalsContact CG2-OD1 3.23Å; V77-N91 WeakPolarHBondContact CG2-OD1 3.48Å; N91-V141 WeakPolarHBondContact ND2-CG1 3.18Å; N91-Y142 PolarHBondContact N-O 2.94Å; N91-D143 WeakPolarHBondContact CB-OD1 3.27Å; N91-D143 PolarHBondContact ND2-OD1 3.11Å; N91-V144 PolarHBondContact O-N 3.14Å; N91-Y192 HydrophobicContact CB-CD2 3.89Å; N91-Y192 HydrophobicContact CB-CE2 3.77Å; N91-Y192 VanDerWaalsContact ND2-CE2 3.29Å; N91-Y192 WeakPolarHBondContact ND2-CE2 3.36Å; N91-Y192 VanDerWaalsContact ND2-CZ 3.27Å; N91-K193 PolarHBondContact ND2-O 2.73Å; N91-K193 WeakPolarHBondContact OD1-CB 3.3Å; N91-K193 PolarHBondContact OD1-N 2.91Å
92V98Very high94.7Very high0 Ų033 Ų330%020%0.203CC..EExtended strand (participates in β ladder)trans-89.4109.3172.4-179.60000107.3G75 H76 L78 F146 L151 L164 A168G75-V92 WeakPolarHBondContact CA-O 3.38Å; G75-V92 PolarHBondContact N-O 3.44Å; H76-V92 PolarHBondContact N-O 2.86Å; H76-V92 VanDerWaalsContact N-O 3.08Å; H76-V92 PolarHBondContact O-N 2.96Å; L78-V92 HydrophobicContact CD1-CG2 4.18Å; L78-V92 HydrophobicContact CG-CG2 4.27Å; V92-F146 HydrophobicContact CG1-CD2 3.98Å; V92-F146 HydrophobicContact CG1-CE2 3.99Å; V92-L151 HydrophobicContact CG1-CD1 4.4Å; V92-L164 HydrophobicContact CG1-CD2 4.15Å; V92-L164 HydrophobicContact CG1-CG 4.47Å; V92-A168 HydrophobicContact CG2-CB 3.99Å
93C97.8Very high94.5Very high0 Ų035.3 Ų35.30%022%0.22CC..EExtended strand (participates in β ladder)trans-120.7165.6-169.5-59.40000111.8P72 E73 V144 V145 F146P72-C93 HydrophobicContact CB-CB 3.73Å; E73-C93 CarbonylContact O-C 3.6Å; E73-C93 WeakPolarHBondContact O-CA 3.29Å; E73-C93 VanDerWaalsContact O-CB 3.23Å; E73-C93 WeakPolarHBondContact O-CB 3.47Å; C93-V144 PolarHBondContact N-O 2.87Å; C93-V145 HydrophobicContact CB-CG1 4.44Å; C93-V145 HydrophobicContact CB-CG2 4.27Å; C93-V145 WeakPolarHBondContact O-CA 3.32Å; C93-F146 PolarHBondContact O-N 2.88Å
94S97.3Very high94.2Very high8 Ų841.1 Ų41.16%0.05624%0.236CC..EExtended strand (participates in β ladder)trans-114149.7172.147.30000113.7E73 F146E73-S94 VanDerWaalsContact CB-O 3.27Å; E73-S94 WeakPolarHBondContact CB-O 3.48Å; E73-S94 WeakPolarHBondContact CG-O 3.37Å; E73-S94 PolarHBondContact N-O 3.14Å; E73-S94 PolarHBondContact O-N 3.3Å; E73-S94 PolarHBondContact OE2-OG 2.89Å; E73-S94 VanDerWaalsContact OE2-OG 3.05Å; S94-F146 CarbonylContact C-O 3.57Å; S94-F146 VanDerWaalsContact CA-O 3.24Å; S94-F146 WeakPolarHBondContact CA-O 3.35Å
95N97.1Very high93.6Very high19 Ų1945.4 Ų45.410%0.10226%0.26CS..  trans-156.8139.4160.8-172.6-72.8000109.8V70 H71 L97 V98 V145 F146 P148V70-N95 HydrophobicContact CG1-CB 3.76Å; H71-N95 PolarHBondContact N-ND2 3.02Å; H71-N95 PolarHBondContact O-ND2 3.1Å; N95-L97 VanDerWaalsContact C-N 3.27Å; N95-L97 PolarHBondContact O-N 2.98Å; N95-L97 VanDerWaalsContact OD1-CB 3.24Å; N95-L97 WeakPolarHBondContact OD1-CB 3.46Å; N95-L97 WeakPolarHBondContact OD1-CG 3.27Å; N95-L97 PolarHBondContact OD1-N 2.67Å; N95-V98 PolarHBondContact O-N 2.76Å; N95-V145 HydrophobicContact CB-CG1 3.51Å; N95-F146 PolarHBondContact N-O 3.08Å; N95-P148 WeakPolarHBondContact O-CD 3.34Å
96A96.3Very high92.6Very high72 Ų7244.7 Ų44.760%0.59526%0.26SS*.THydrogen-bonded Turntrans-71.7-13.7-176.600000114.9V98A96-V98 VanDerWaalsContact C-N 3.26Å; A96-V98 PolarHBondContact O-N 3.18Å
97L93.5Very high91Very high84 Ų8443.3 Ų43.344%0.4427%0.269SS..THydrogen-bonded Turntrans-76.3-13.3175.1-60.7174.2000113.1R68 F69 V70 N95R68-L97 HydrophobicContact CB-CD1 4.34Å; F69-L97 WeakPolarHBondContact O-CD1 3.16Å; V70-L97 HydrophobicContact CG2-CB 4.4Å; V70-L97 HydrophobicContact CG2-CD1 4.26Å; N95-L97 VanDerWaalsContact C-N 3.27Å; N95-L97 PolarHBondContact O-N 2.98Å; N95-L97 VanDerWaalsContact OD1-CB 3.24Å; N95-L97 WeakPolarHBondContact OD1-CB 3.46Å; N95-L97 WeakPolarHBondContact OD1-CG 3.27Å; N95-L97 PolarHBondContact OD1-N 2.67Å
98V94.6Very high89.1Confident12 Ų1248.4 Ų48.47%0.07330%0.3CS..SBendtrans-85.9140.7176-1780000109.4V70 N95 A96 P122 V145 H147V70-V98 HydrophobicContact CG1-CG2 4.23Å; N95-V98 PolarHBondContact O-N 2.76Å; A96-V98 VanDerWaalsContact C-N 3.26Å; A96-V98 PolarHBondContact O-N 3.18Å; V98-P122 HydrophobicContact CG1-CB 4.28Å; V98-P122 WeakPolarHBondContact CG1-O 3.37Å; V98-V145 HydrophobicContact CG2-CB 4.47Å; V98-V145 HydrophobicContact CG2-CG1 4.2Å; V98-H147 PolarHBondContact O-CD2 3.28Å
99G93.6Very high87Confident40 Ų4054.5 Ų54.541%0.41233%0.333SS..PPolyproline II helixtrans-57.8138.3-178.600000113.7P122 H147G99-P122 WeakPolarHBondContact O-CB 3.24Å; G99-P122 WeakPolarHBondContact O-CG 3.33Å; G99-H147 WeakPolarHBondContact O-CB 3.12Å
100A95.7Very high84.8Confident51 Ų5159.5 Ų59.542%0.42136%0.36SS..PPolyproline II helixtrans-61.9148.3179.200000112.7
101P95.4Very high82.3Confident21 Ų2169.9 Ų69.914%0.13640%0.399CS..PPolyproline II helixtrans-64139172.930.7-37000109.8W119 S120 L121 D149 A150 L153 F160P101-W119 HydrophobicContact CB-CE3 4.48Å; P101-W119 HydrophobicContact CB-CZ3 4.45Å; P101-S120 WeakPolarHBondContact CA-O 3.29Å; P101-L121 HydrophobicContact CB-CD2 3.69Å; P101-D149 HydrophobicContact CG-CB 4.12Å; P101-A150 HydrophobicContact CB-CB 4.26Å; P101-A150 HydrophobicContact CG-CB 4Å; P101-L153 HydrophobicContact CG-CD1 3.97Å; P101-F160 HydrophobicContact CB-CZ 4.38Å
102S94Very high80Confident58 Ų5873.7 Ų73.741%0.40644%0.439SS..EExtended strand (participates in β ladder)trans-132.1143.8175.554.30000110.9W119 S120S102-W119 CarbonylContact O-C 3.58Å; S102-W119 WeakPolarHBondContact O-CA 3.36Å; S102-S120 PolarHBondContact N-O 3.48Å; S102-S120 PolarHBondContact O-N 3.01Å
103S90.1Very high77.4Confident63 Ų6377.2 Ų77.244%0.44147%0.468SS..EExtended strand (participates in β ladder)trans-113.2135.9176.955.20000110.2H118S103-H118 CarbonylContact C-O 3.58Å; S103-H118 WeakPolarHBondContact CA-O 3.38Å
104R86.1Confident75Confident192 Ų19281.3 Ų81.373%0.72550%0.502SS*.EExtended strand (participates in β ladder)trans-114.9138.8167.1-63.8-175.9-179.7-168.2-1108.7S117 H118R104-S117 CarbonylContact O-C 3.57Å; R104-S117 WeakPolarHBondContact O-CA 3.34Å; R104-H118 PolarHBondContact N-O 3.45Å; R104-H118 PolarHBondContact O-N 2.91Å
105P76.9Confident72.9Confident112 Ų11287 Ų8773%0.72754%0.538SS*.EExtended strand (participates in β ladder)trans-55.8140.5167.5-20.732.4000109.9
106G66.3Low71.3Confident23 Ų2388 Ų8824%0.23755%0.553CS.*PPolyproline II helixtrans-59.2136.6161.100000109.4G116G106-G116 WeakPolarHBondContact CA-O 3.48Å; G106-G116 PolarHBondContact N-O 2.97Å
107S56.5Low70.4Confident90 Ų9088 Ų8863%0.62955%0.549SS*.PPolyproline II helixtrans-74.8129.9177.948.10000110.7D109 D110S107-D109 PolarHBondContact O-N 3.44Å; S107-D110 PolarHBondContact O-N 3.23Å
108D51.8Low70Confident157 Ų15789.9 Ų89.984%0.8456%0.555SS**THydrogen-bonded Turntrans-56.1-12.3178.9-79.4-42.2000115.3D110D108-D110 PolarHBondContact O-N 3.23Å
109D52.7Low69.8Low128 Ų12893.7 Ų93.768%0.68457%0.568SS**THydrogen-bonded Turntrans-70.6-16.7178.5-111.3-30.4000113.6S107 R111S107-D109 PolarHBondContact O-N 3.44Å; D109-R111 PolarHBondContact O-N 3.06Å; D109-R111 IonicContact OD1-NH1 2.81Å
110D50.1Low69.8Low119 Ų11995 Ų9564%0.63657%0.571SS**SBendtrans-80.470.6173.5-136.49.2000109.9S107 D108 G112 A113S107-D110 PolarHBondContact O-N 3.23Å; D108-D110 PolarHBondContact O-N 3.23Å; D110-G112 VanDerWaalsContact C-N 3.32Å; D110-G112 PolarHBondContact O-N 3.25Å; D110-A113 PolarHBondContact O-N 2.76Å; D110-A113 VanDerWaalsContact O-N 3.16Å
111R47.2Very low69.8Low218 Ų21893.5 Ų93.582%0.82356%0.556SS**THydrogen-bonded Turntrans-56.481.3-173.6-82.4-172.1-74.4-83.3-8.3113.6D109D109-R111 PolarHBondContact O-N 3.06Å; D109-R111 IonicContact OD1-NH1 2.81Å
112G48.3Very low69.9Low81 Ų8194.7 Ų94.784%0.83556%0.563SS**THydrogen-bonded Turntrans153.8-17.6174.900000114.9D110D110-G112 VanDerWaalsContact C-N 3.32Å; D110-G112 PolarHBondContact O-N 3.25Å
113A44.3Very low70Confident73 Ų7395.9 Ų95.960%0.60356%0.56SS**SBendtrans-84.7133.9174.600000111.1D110D110-A113 PolarHBondContact O-N 2.76Å; D110-A113 VanDerWaalsContact O-N 3.16Å
114A46.9Very low70.2Confident86 Ų8693.7 Ų93.771%0.71155%0.545SS*.  trans-59.5153.9167.400000110.3G116A114-G116 VanDerWaalsContact C-N 3.27Å; A114-G116 PolarHBondContact O-N 2.89Å
115P53.3Low70.6Confident127 Ų12785.4 Ų85.483%0.82551%0.514SS*.  trans-65.880.9-175.326.1-35.6000112.8
116G64.8Low71.2Confident40 Ų4080.5 Ų80.541%0.41248%0.484SS..PPolyproline II helixtrans-82.1149.517500000111.6G106 A114G106-G116 WeakPolarHBondContact CA-O 3.48Å; G106-G116 PolarHBondContact N-O 2.97Å; A114-G116 VanDerWaalsContact C-N 3.27Å; A114-G116 PolarHBondContact O-N 2.89Å
117S76.4Confident72.4Confident72 Ų7283.9 Ų83.950%0.50350%0.501SS..EExtended strand (participates in β ladder)trans-93.5121.7169.6-650000110R104 W119R104-S117 CarbonylContact O-C 3.57Å; R104-S117 WeakPolarHBondContact O-CA 3.34Å; S117-W119 VanDerWaalsContact O-CD1 3.28Å; S117-W119 PolarHBondContact O-N 3.27Å
118H85.1Confident74.1Confident125 Ų12580.9 Ų80.958%0.57949%0.485SS*.EExtended strand (participates in β ladder)trans-77122170.2-64.5-88.4000109.5S103 R104S103-H118 CarbonylContact C-O 3.58Å; S103-H118 WeakPolarHBondContact CA-O 3.38Å; R104-H118 PolarHBondContact N-O 3.45Å; R104-H118 PolarHBondContact O-N 2.91Å
119W90.4Very high76.1Confident92 Ų9275 Ų7535%0.34845%0.451SS..EExtended strand (participates in β ladder)trans-100129178.4-71.992.2000111.7P101 S102 S117 L121 L153 F160 M163P101-W119 HydrophobicContact CB-CE3 4.48Å; P101-W119 HydrophobicContact CB-CZ3 4.45Å; S102-W119 CarbonylContact O-C 3.58Å; S102-W119 WeakPolarHBondContact O-CA 3.36Å; S117-W119 VanDerWaalsContact O-CD1 3.28Å; S117-W119 PolarHBondContact O-N 3.27Å; W119-L121 HydrophobicContact CB-CD2 4.46Å; W119-L121 HydrophobicContact CB-CG 4.47Å; W119-L153 HydrophobicContact CH2-CD1 4.16Å; W119-L153 HydrophobicContact CZ3-CD1 4.12Å; W119-F160 HydrophobicContact CD2-CD2 4.24Å; W119-F160 AromaticContact CD2-CE2 3.73Å; W119-F160 HydrophobicContact CD2-CE2 3.73Å; W119-F160 AromaticContact CE2-CE2 3.94Å; W119-F160 AromaticContact CE3-CE2 3.64Å; W119-F160 HydrophobicContact CE3-CE2 3.64Å; W119-F160 HydrophobicContact CE3-CZ 4.49Å; W119-F160 HydrophobicContact CG-CE2 4.39Å; W119-F160 HydrophobicContact CH2-CD2 4.37Å; W119-F160 AromaticContact CH2-CE2 3.96Å; W119-F160 HydrophobicContact CH2-CE2 3.96Å; W119-F160 HydrophobicContact CZ2-CD2 4.1Å; W119-F160 HydrophobicContact CZ2-CE2 4.06Å; W119-F160 AromaticContact CZ3-CE2 3.76Å; W119-F160 HydrophobicContact CZ3-CE2 3.76Å; W119-M163 HydrophobicContact CB-CE 3.66Å; W119-M163 HydrophobicContact CB-SD 3.88Å; W119-M163 HydrophobicContact CD2-CE 4.07Å; W119-M163 HydrophobicContact CG-CE 3.46Å; W119-M163 VanDerWaalsContact CG-CE 3.46Å; W119-M163 HydrophobicContact CG-SD 3.99Å
120S93.9Very high78Confident67 Ų6772.7 Ų72.747%0.46944%0.436SS..EExtended strand (participates in β ladder)trans-96.5122.3163-177.10000108.5P101 S102P101-S120 WeakPolarHBondContact CA-O 3.29Å; S102-S120 PolarHBondContact N-O 3.48Å; S102-S120 PolarHBondContact O-N 3.01Å
121L95.9Very high79.9Confident19 Ų1969.1 Ų69.110%0.09941%0.413CS..  trans-120.788.1-179-59.3-179.5000109.4P101 W119 Y123 F146 F160 M163 L164 T167P101-L121 HydrophobicContact CB-CD2 3.69Å; W119-L121 HydrophobicContact CB-CD2 4.46Å; W119-L121 HydrophobicContact CB-CG 4.47Å; L121-Y123 WeakPolarHBondContact O-CD1 3.44Å; L121-F146 HydrophobicContact CB-CE1 4.33Å; L121-F160 HydrophobicContact CD2-CE2 4.2Å; L121-F160 HydrophobicContact CD2-CZ 3.67Å; L121-M163 HydrophobicContact CD1-CE 4.2Å; L121-M163 HydrophobicContact CD1-CG 4.37Å; L121-L164 HydrophobicContact CD1-CD1 4.08Å; L121-T167 HydrophobicContact CB-CG2 4.44Å; L121-T167 HydrophobicContact CD1-CG2 4.38Å
122P96.3Very high81.7Confident46 Ų4662.1 Ų62.130%0.29940%0.403SS..  trans-62.3139.6173.9-20.433.3000111V98 G99 F146V98-P122 HydrophobicContact CG1-CB 4.28Å; V98-P122 WeakPolarHBondContact CG1-O 3.37Å; G99-P122 WeakPolarHBondContact O-CB 3.24Å; G99-P122 WeakPolarHBondContact O-CG 3.33Å; P122-F146 WeakPolarHBondContact O-CD1 3.35Å
123Y96.4Very high82.9Confident83 Ų8359.1 Ų59.133%0.32537%0.372SS..EExtended strand (participates in β ladder)trans-141.8155.1177.961-97.8000111.8L121 L125 V144 V145 F146 T167 A171L121-Y123 WeakPolarHBondContact O-CD1 3.44Å; Y123-L125 HydrophobicContact CD2-CB 4.35Å; Y123-L125 HydrophobicContact CE2-CB 4.45Å; Y123-V144 HydrophobicContact CD2-CG1 4.33Å; Y123-V144 HydrophobicContact CG-CG1 4.27Å; Y123-V145 CarbonylContact C-O 3.52Å; Y123-V145 VanDerWaalsContact CA-O 3.25Å; Y123-V145 WeakPolarHBondContact CA-O 3.24Å; Y123-F146 HydrophobicContact CD1-CE1 4.26Å; Y123-F146 HydrophobicContact CG-CE1 4.37Å; Y123-T167 HydrophobicContact CD1-CG2 4.31Å; Y123-T167 HydrophobicContact CE1-CG2 4.33Å; Y123-A171 HydrophobicContact CD1-CB 4.5Å; Y123-A171 HydrophobicContact CD2-CB 4.07Å; Y123-A171 HydrophobicContact CE1-CB 3.97Å; Y123-A171 HydrophobicContact CE2-CB 3.49Å; Y123-A171 VanDerWaalsContact CE2-CB 3.49Å; Y123-A171 VanDerWaalsContact CZ-CB 3.43Å
124S94.9Very high84.1Confident18 Ų1866.6 Ų66.613%0.12638%0.384CS..EExtended strand (participates in β ladder)trans-108.7142.9162.6-1750000109V145S124-V145 PolarHBondContact N-O 3.42Å; S124-V145 PolarHBondContact O-N 2.83Å
125L93.8Very high84.7Confident17 Ų1768.8 Ų68.89%0.08938%0.384CS..EExtended strand (participates in β ladder)trans-128.8116.9-176.1-172.568.9000110.6Y123 V144 V172 Q175 F176Y123-L125 HydrophobicContact CD2-CB 4.35Å; Y123-L125 HydrophobicContact CE2-CB 4.45Å; L125-V144 HydrophobicContact CD1-CB 4.32Å; L125-V144 HydrophobicContact CD1-CG1 4.4Å; L125-V144 HydrophobicContact CD1-CG2 3.67Å; L125-V172 HydrophobicContact CD1-CG2 3.89Å; L125-Q175 HydrophobicContact CD2-CB 3.65Å; L125-Q175 VanDerWaalsContact CD2-CD 3.49Å; L125-Q175 HydrophobicContact CD2-CG 4.01Å; L125-Q175 VanDerWaalsContact CD2-OE1 3.27Å; L125-F176 HydrophobicContact CD1-CE2 4.33Å; L125-F176 HydrophobicContact CD2-CD2 4.05Å; L125-F176 HydrophobicContact CD2-CE2 3.31Å; L125-F176 HydrophobicContact CD2-CZ 3.84Å; L125-F176 HydrophobicContact CG-CE2 3.72Å; L125-F176 HydrophobicContact CG-CZ 4.02Å
126A89.4Confident85.2Confident10 Ų1066.6 Ų66.68%0.08337%0.372CS..PPolyproline II helixtrans-79.8151.2174.700000111.4D143 F176A126-D143 HydrophobicContact CB-CB 4.11Å; A126-D143 PolarHBondContact N-O 3.44Å; A126-D143 VanDerWaalsContact N-O 3.13Å; A126-F176 WeakPolarHBondContact O-CZ 3.17Å
127P91.8Very high85.6Confident94 Ų9465.2 Ų65.261%0.6136%0.356SS*.PPolyproline II helixtrans-53.1146.7169.4-25.535.1000112.6
128G92.8Very high86Confident27 Ų2766.6 Ų66.628%0.27835%0.35SS..PPolyproline II helixtrans-68.2133.3178.500000112.3V141 Y142G128-V141 CarbonylContact C-O 3.6Å; G128-V141 WeakPolarHBondContact CA-O 3.44Å; G128-Y142 VanDerWaalsContact CA-CD1 3.45Å
129R93.9Very high86.3Confident34 Ų3461.4 Ų61.413%0.12833%0.325CS..EExtended strand (participates in β ladder)trans-113.1128.6-178.8-57.8-167.9-59.1-70.89.9111Y131 M140 V141 D143 Y192 T195 E197R129-Y131 HydrophobicContact CB-CD2 4.39Å; R129-Y131 HydrophobicContact CB-CE2 3.8Å; R129-Y131 PolarHBondContact NE-OH 3.49Å; R129-M140 CarbonylContact O-C 3.16Å; R129-M140 WeakPolarHBondContact O-CA 3.48Å; R129-V141 PolarHBondContact N-O 2.86Å; R129-V141 PolarHBondContact O-N 2.73Å; R129-D143 IonicContact CZ-OD2 3.7Å; R129-D143 VanDerWaalsContact CZ-OD2 3.23Å; R129-D143 IonicContact NH1-OD2 3.15Å; R129-D143 PolarHBondContact NH1-OD2 3.1Å; R129-D143 IonicContact NH2-OD2 2.9Å; R129-D143 PolarHBondContact NH2-OD2 2.78Å; R129-Y192 PolarHBondContact NH2-OH 2.71Å; R129-T195 PolarHBondContact NH2-O 2.85Å; R129-E197 VanDerWaalsContact CD-CD 3.42Å; R129-E197 VanDerWaalsContact CD-OE1 3.28Å; R129-E197 WeakPolarHBondContact CD-OE1 3.36Å; R129-E197 WeakPolarHBondContact CD-OE2 3.34Å; R129-E197 IonicContact CZ-OE1 2.73Å; R129-E197 IonicContact CZ-OE2 3.18Å; R129-E197 IonicContact NE-OE1 2.88Å; R129-E197 PolarHBondContact NE-OE1 2.86Å; R129-E197 IonicContact NE-OE2 2.64Å; R129-E197 PolarHBondContact NE-OE2 2.85Å; R129-E197 IonicContact NH2-OE1 3Å
130E92.8Very high86.6Confident78 Ų7858.5 Ų58.536%0.36432%0.316SS..EExtended strand (participates in β ladder)trans-83.7136.4173.7-170.9159.4-121.400110.2R86 R138 M140R86-E130 IonicContact CZ-OE1 2.75Å; R86-E130 IonicContact NH1-OE1 3.78Å; R86-E130 PolarHBondContact NH1-OE1 3.39Å; R86-E130 IonicContact NH1-OE2 3.7Å; E130-R138 VanDerWaalsContact CD-CD 3.44Å; E130-R138 HydrophobicContact CG-CB 4.06Å; E130-R138 VanDerWaalsContact OE1-CB 3.27Å; E130-R138 WeakPolarHBondContact OE1-CB 3.28Å; E130-R138 WeakPolarHBondContact OE2-CD 3.4Å; E130-R138 IonicContact OE2-NH1 2.75Å; E130-R138 PolarHBondContact OE2-NH1 3.26Å; E130-M140 HydrophobicContact CB-SD 3.61Å; E130-M140 HydrophobicContact CG-SD 4.23Å
131Y89.8Confident86.7Confident44 Ų4455.3 Ų55.317%0.17329%0.294CS..EExtended strand (participates in β ladder)trans-129.4141.9176.2-72.9-87.6000111R129 R138 Y139 V141 T195 E197R129-Y131 HydrophobicContact CB-CD2 4.39Å; R129-Y131 HydrophobicContact CB-CE2 3.8Å; R129-Y131 PolarHBondContact NE-OH 3.49Å; Y131-R138 WeakPolarHBondContact O-CA 3.33Å; Y131-Y139 WeakPolarHBondContact CB-OH 3.16Å; Y131-Y139 HydrophobicContact CD2-CE2 4.16Å; Y131-Y139 HydrophobicContact CG-CE2 4.11Å; Y131-Y139 PolarHBondContact N-O 2.92Å; Y131-Y139 WeakPolarHBondContact O-CD1 3.29Å; Y131-Y139 WeakPolarHBondContact O-CE1 3.24Å; Y131-Y139 PolarHBondContact O-N 3.06Å; Y131-V141 HydrophobicContact CD2-CB 3.95Å; Y131-V141 HydrophobicContact CD2-CG2 3.48Å; Y131-V141 VanDerWaalsContact CD2-CG2 3.48Å; Y131-V141 HydrophobicContact CE2-CB 3.8Å; Y131-V141 HydrophobicContact CE2-CG1 4.36Å; Y131-V141 HydrophobicContact CE2-CG2 3.71Å; Y131-T195 PolarHBondContact OH-N 3.47Å; Y131-T195 VanDerWaalsContact OH-N 3.08Å; Y131-E197 PolarHBondContact OH-OE1 3.25Å
132A84.8Confident86.8Confident72 Ų7254.9 Ų54.960%0.59529%0.291SS*.  trans-65.9135.7167.900000111Y139A132-Y139 VanDerWaalsContact O-CE1 3.29Å; A132-Y139 WeakPolarHBondContact O-CE1 3.46Å
133G72.6Confident86.8Confident18 Ų1852.8 Ų52.819%0.18628%0.277CS..  trans-112.8169.6173.400000111.8N135 S137G133-N135 PolarHBondContact O-N 3.01Å; G133-S137 WeakPolarHBondContact CA-O 3.46Å; G133-S137 PolarHBondContact N-O 3.32Å; G133-S137 VanDerWaalsContact N-O 3.1Å
134R69.3Low86.9Confident230 Ų23048.8 Ų48.887%0.86826%0.261SS*.THydrogen-bonded Turntrans-54.4131.4176.5-64.3-173.4-179.4-165.5-1.2110.4S137R134-S137 PolarHBondContact O-OG 3.43Å
135N59.5Low87Confident131 Ų13148.1 Ų48.170%0.70126%0.257SS*.THydrogen-bonded Turntrans61.364.1179.1-48.324.8000112.1G133 S137G133-N135 PolarHBondContact O-N 3.01Å; N135-S137 PolarHBondContact O-N 2.92Å
136S64.2Low87.3Confident81 Ų8147.4 Ų47.457%0.56625%0.253SS*.THydrogen-bonded Turntrans48.418.7175.9580000116.8R138S136-R138 PolarHBondContact O-N 3.48Å
137S74.1Confident87.7Confident11 Ų1148.4 Ų48.48%0.07726%0.256CS..  trans-93.196.4-175.963.60000111.4R87 G133 R134 N135 A338R87-S137 PolarHBondContact NH2-O 2.93Å; R87-S137 PolarHBondContact NH2-OG 2.72Å; G133-S137 WeakPolarHBondContact CA-O 3.46Å; G133-S137 PolarHBondContact N-O 3.32Å; G133-S137 VanDerWaalsContact N-O 3.1Å; R134-S137 PolarHBondContact O-OG 3.43Å; N135-S137 PolarHBondContact O-N 2.92Å; S137-A338 WeakPolarHBondContact CB-O 3.21Å
138R85Confident88Confident101 Ų10145.9 Ų45.938%0.38124%0.239SC..  trans-65.8155178.8-52.7-167.3-174.8-177.4-1.5112.7E130 Y131 S136E130-R138 VanDerWaalsContact CD-CD 3.44Å; E130-R138 HydrophobicContact CG-CB 4.06Å; E130-R138 VanDerWaalsContact OE1-CB 3.27Å; E130-R138 WeakPolarHBondContact OE1-CB 3.28Å; E130-R138 WeakPolarHBondContact OE2-CD 3.4Å; E130-R138 IonicContact OE2-NH1 2.75Å; E130-R138 PolarHBondContact OE2-NH1 3.26Å; Y131-R138 WeakPolarHBondContact O-CA 3.33Å; S136-R138 PolarHBondContact O-N 3.48Å
139Y91.8Very high88.2Confident17 Ų1748.5 Ų48.57%0.06725%0.247CC..EExtended strand (participates in β ladder)trans-151.1148.9174.760.9-87.4000111.6R87 F89 Y131 A132 V141 K193R87-Y139 VanDerWaalsContact O-CA 3.3Å; R87-Y139 WeakPolarHBondContact O-CA 3.29Å; R87-Y139 WeakPolarHBondContact O-CB 3.49Å; F89-Y139 AromaticContact CD2-CD2 3.42Å; F89-Y139 HydrophobicContact CD2-CD2 3.42Å; F89-Y139 VanDerWaalsContact CD2-CD2 3.42Å; F89-Y139 HydrophobicContact CD2-CE2 4.1Å; F89-Y139 HydrophobicContact CD2-CG 4.03Å; F89-Y139 HydrophobicContact CE2-CD1 4.45Å; F89-Y139 AromaticContact CE2-CD2 3.45Å; F89-Y139 HydrophobicContact CE2-CD2 3.45Å; F89-Y139 VanDerWaalsContact CE2-CD2 3.45Å; F89-Y139 HydrophobicContact CE2-CE2 4.14Å; F89-Y139 AromaticContact CE2-CG 3.63Å; F89-Y139 HydrophobicContact CE2-CG 3.63Å; Y131-Y139 WeakPolarHBondContact CB-OH 3.16Å; Y131-Y139 HydrophobicContact CD2-CE2 4.16Å; Y131-Y139 HydrophobicContact CG-CE2 4.11Å; Y131-Y139 PolarHBondContact N-O 2.92Å; Y131-Y139 WeakPolarHBondContact O-CD1 3.29Å; Y131-Y139 WeakPolarHBondContact O-CE1 3.24Å; Y131-Y139 PolarHBondContact O-N 3.06Å; A132-Y139 VanDerWaalsContact O-CE1 3.29Å; A132-Y139 WeakPolarHBondContact O-CE1 3.46Å; Y139-V141 HydrophobicContact CD2-CG2 3.87Å; Y139-V141 HydrophobicContact CE2-CG2 3.69Å; Y139-K193 HydrophobicContact CE2-CD 4.31Å; Y139-K193 VanDerWaalsContact CE2-CE 3.41Å; Y139-K193 HydrophobicContact CE2-CG 4.13Å; Y139-K193 PolarHBondContact OH-NZ 2.86Å
140M95Very high88.4Confident31 Ų3147 Ų4715%0.15324%0.242CC..EExtended strand (participates in β ladder)trans-91.6147.7175-70.1-65-75.900111.5L82 R87 C88 F89 R129 E130 Y142L82-M140 HydrophobicContact CD2-CB 4.16Å; L82-M140 HydrophobicContact CD2-CG 3.71Å; R87-M140 PolarHBondContact O-N 3.5Å; C88-M140 CarbonylContact C-O 3.47Å; C88-M140 WeakPolarHBondContact CA-O 3.23Å; F89-M140 PolarHBondContact N-O 2.84Å; R129-M140 CarbonylContact O-C 3.16Å; R129-M140 WeakPolarHBondContact O-CA 3.48Å; E130-M140 HydrophobicContact CB-SD 3.61Å; E130-M140 HydrophobicContact CG-SD 4.23Å; M140-Y142 HydrophobicContact CB-CE2 4.27Å
141V97Very high88.6Confident0 Ų043.5 Ų43.50%023%0.225CC..EExtended strand (participates in β ladder)trans-126.3134.6173.21750000109.2F89 N91 G128 R129 Y131 Y139 K193F89-V141 HydrophobicContact CB-CG2 4.41Å; F89-V141 CarbonylContact O-C 3.57Å; F89-V141 VanDerWaalsContact O-CA 3.28Å; F89-V141 WeakPolarHBondContact O-CA 3.49Å; N91-V141 WeakPolarHBondContact ND2-CG1 3.18Å; G128-V141 CarbonylContact C-O 3.6Å; G128-V141 WeakPolarHBondContact CA-O 3.44Å; R129-V141 PolarHBondContact N-O 2.86Å; R129-V141 PolarHBondContact O-N 2.73Å; Y131-V141 HydrophobicContact CD2-CB 3.95Å; Y131-V141 HydrophobicContact CD2-CG2 3.48Å; Y131-V141 VanDerWaalsContact CD2-CG2 3.48Å; Y131-V141 HydrophobicContact CE2-CB 3.8Å; Y131-V141 HydrophobicContact CE2-CG1 4.36Å; Y131-V141 HydrophobicContact CE2-CG2 3.71Å; Y139-V141 HydrophobicContact CD2-CG2 3.87Å; Y139-V141 HydrophobicContact CE2-CG2 3.69Å; V141-K193 VanDerWaalsContact CG1-O 3.29Å; V141-K193 WeakPolarHBondContact CG1-O 3.49Å; V141-K193 HydrophobicContact CG2-CG 4.09Å
142Y97.5Very high88.9Confident10 Ų1042.6 Ų42.64%0.03923%0.227CC..EExtended strand (participates in β ladder)trans-122.5143.3168.7-64-87.8000109.8L82 F89 V90 N91 G128 M140 V172 F176L82-Y142 HydrophobicContact CD1-CE2 4.39Å; F89-Y142 PolarHBondContact O-N 2.87Å; V90-Y142 CarbonylContact C-O 3.5Å; V90-Y142 WeakPolarHBondContact CA-O 3.27Å; N91-Y142 PolarHBondContact N-O 2.94Å; G128-Y142 VanDerWaalsContact CA-CD1 3.45Å; M140-Y142 HydrophobicContact CB-CE2 4.27Å; Y142-V172 HydrophobicContact CD1-CG1 3.94Å; Y142-V172 HydrophobicContact CD1-CG2 4.36Å; Y142-V172 HydrophobicContact CD2-CG1 3.69Å; Y142-V172 HydrophobicContact CD2-CG2 4.44Å; Y142-V172 HydrophobicContact CE1-CG1 3.95Å; Y142-V172 HydrophobicContact CE2-CG1 3.72Å; Y142-V172 HydrophobicContact CG-CG1 3.79Å; Y142-V172 HydrophobicContact CG-CG2 3.99Å; Y142-F176 AromaticContact CD1-CD2 3.8Å; Y142-F176 HydrophobicContact CD1-CD2 3.8Å; Y142-F176 AromaticContact CD1-CE2 3.46Å; Y142-F176 HydrophobicContact CD1-CE2 3.46Å; Y142-F176 VanDerWaalsContact CD1-CE2 3.46Å; Y142-F176 HydrophobicContact CD1-CZ 4.28Å; Y142-F176 AromaticContact CE1-CD2 3.35Å; Y142-F176 HydrophobicContact CE1-CD2 3.35Å; Y142-F176 AromaticContact CE1-CE2 3.45Å; Y142-F176 HydrophobicContact CE1-CE2 3.45Å; Y142-F176 VanDerWaalsContact CE1-CE2 3.45Å; Y142-F176 HydrophobicContact CE1-CG 4.05Å; Y142-F176 HydrophobicContact CE1-CZ 4.24Å
143D97.5Very high89.4Confident1 Ų140.6 Ų40.61%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-109.4116.8173.9-59.4-49.2000110N91 A126 R129 Y192N91-D143 WeakPolarHBondContact CB-OD1 3.27Å; N91-D143 PolarHBondContact ND2-OD1 3.11Å; A126-D143 HydrophobicContact CB-CB 4.11Å; A126-D143 PolarHBondContact N-O 3.44Å; A126-D143 VanDerWaalsContact N-O 3.13Å; R129-D143 IonicContact CZ-OD2 3.7Å; R129-D143 VanDerWaalsContact CZ-OD2 3.23Å; R129-D143 IonicContact NH1-OD2 3.15Å; R129-D143 PolarHBondContact NH1-OD2 3.1Å; R129-D143 IonicContact NH2-OD2 2.9Å; R129-D143 PolarHBondContact NH2-OD2 2.78Å; D143-Y192 WeakPolarHBondContact OD1-CE2 3.31Å; D143-Y192 VanDerWaalsContact OD1-CZ 3.22Å; D143-Y192 PolarHBondContact OD1-OH 3.29Å; D143-Y192 PolarHBondContact OD2-OH 3.04Å
144V97.5Very high90.5Very high0 Ų040.1 Ų40.10%020%0.2CC..EExtended strand (participates in β ladder)trans-107.6113.2172.9-161.60000107.7V90 N91 C93 Y123 L125 F146 A168 V172V90-V144 HydrophobicContact CG1-CG2 3.43Å; V90-V144 VanDerWaalsContact CG1-CG2 3.43Å; N91-V144 PolarHBondContact O-N 3.14Å; C93-V144 PolarHBondContact N-O 2.87Å; Y123-V144 HydrophobicContact CD2-CG1 4.33Å; Y123-V144 HydrophobicContact CG-CG1 4.27Å; L125-V144 HydrophobicContact CD1-CB 4.32Å; L125-V144 HydrophobicContact CD1-CG1 4.4Å; L125-V144 HydrophobicContact CD1-CG2 3.67Å; V144-F146 HydrophobicContact CB-CE2 3.97Å; V144-F146 HydrophobicContact CG1-CD2 4.25Å; V144-F146 HydrophobicContact CG1-CE1 4.46Å; V144-F146 HydrophobicContact CG1-CE2 3.48Å; V144-F146 VanDerWaalsContact CG1-CE2 3.48Å; V144-F146 HydrophobicContact CG1-CZ 3.61Å; V144-A168 HydrophobicContact CB-CB 4.25Å; V144-A168 HydrophobicContact CG1-CB 4.28Å; V144-A168 HydrophobicContact CG2-CB 4.07Å; V144-V172 HydrophobicContact CG2-CG2 4.15Å
145V98.1Very high91.7Very high4 Ų438.1 Ų38.12%0.02419%0.193CC..EExtended strand (participates in β ladder)trans-106.5117.8-174.1-165.60000109.2V70 P72 C93 N95 V98 Y123 S124V70-V145 HydrophobicContact CG1-CB 4.4Å; V70-V145 HydrophobicContact CG1-CG1 4.01Å; P72-V145 HydrophobicContact CB-CG2 3.91Å; C93-V145 HydrophobicContact CB-CG1 4.44Å; C93-V145 HydrophobicContact CB-CG2 4.27Å; C93-V145 WeakPolarHBondContact O-CA 3.32Å; N95-V145 HydrophobicContact CB-CG1 3.51Å; V98-V145 HydrophobicContact CG2-CB 4.47Å; V98-V145 HydrophobicContact CG2-CG1 4.2Å; Y123-V145 CarbonylContact C-O 3.52Å; Y123-V145 VanDerWaalsContact CA-O 3.25Å; Y123-V145 WeakPolarHBondContact CA-O 3.24Å; S124-V145 PolarHBondContact N-O 3.42Å; S124-V145 PolarHBondContact O-N 2.83Å
146F98.1Very high93.4Very high1 Ų139.8 Ų39.80%0.00419%0.189CC..EExtended strand (participates in β ladder)trans-106.7174.8175.8-61.8-89.4000110.6V92 C93 S94 N95 L121 P122 Y123 V144 A150 L151 L164 T167 A168V92-F146 HydrophobicContact CG1-CD2 3.98Å; V92-F146 HydrophobicContact CG1-CE2 3.99Å; C93-F146 PolarHBondContact O-N 2.88Å; S94-F146 CarbonylContact C-O 3.57Å; S94-F146 VanDerWaalsContact CA-O 3.24Å; S94-F146 WeakPolarHBondContact CA-O 3.35Å; N95-F146 PolarHBondContact N-O 3.08Å; L121-F146 HydrophobicContact CB-CE1 4.33Å; P122-F146 WeakPolarHBondContact O-CD1 3.35Å; Y123-F146 HydrophobicContact CD1-CE1 4.26Å; Y123-F146 HydrophobicContact CG-CE1 4.37Å; V144-F146 HydrophobicContact CB-CE2 3.97Å; V144-F146 HydrophobicContact CG1-CD2 4.25Å; V144-F146 HydrophobicContact CG1-CE1 4.46Å; V144-F146 HydrophobicContact CG1-CE2 3.48Å; V144-F146 VanDerWaalsContact CG1-CE2 3.48Å; V144-F146 HydrophobicContact CG1-CZ 3.61Å; F146-A150 HydrophobicContact CB-CB 4.12Å; F146-L151 HydrophobicContact CB-CD1 3.91Å; F146-L151 HydrophobicContact CD2-CD1 4.48Å; F146-L164 HydrophobicContact CD1-CD1 3.65Å; F146-L164 HydrophobicContact CD2-CD1 3.92Å; F146-L164 HydrophobicContact CE1-CD1 3.59Å; F146-L164 HydrophobicContact CE2-CD1 3.87Å; F146-L164 HydrophobicContact CE2-CG 4.31Å; F146-L164 HydrophobicContact CG-CD1 3.8Å; F146-L164 HydrophobicContact CZ-CD1 3.7Å; F146-L164 HydrophobicContact CZ-CG 4.4Å; F146-T167 HydrophobicContact CE1-CG2 4.29Å; F146-A168 HydrophobicContact CE2-CB 4.02Å; F146-A168 HydrophobicContact CZ-CB 4.03Å
147H98.1Very high94.8Very high32 Ų3240.9 Ų40.915%0.14819%0.185CC..  trans-67.4143.2166.7-168-107.2000111V98 G99 D149 A150V98-H147 PolarHBondContact O-CD2 3.28Å; G99-H147 WeakPolarHBondContact O-CB 3.12Å; H147-D149 IonicContact CE1-OD2 3.24Å; H147-D149 PolarHBondContact CE1-OD2 2.81Å; H147-D149 PolarHBondContact ND1-N 2.83Å; H147-D149 IonicContact ND1-OD2 3.64Å; H147-D149 PolarHBondContact ND1-OD2 2.91Å; H147-D149 PolarHBondContact O-N 3.17Å; H147-D149 VanDerWaalsContact O-N 3.09Å; H147-A150 WeakPolarHBondContact O-CB 3.35Å; H147-A150 PolarHBondContact O-N 2.93Å
148P98.1Very high95.7Very high41 Ų4145.9 Ų45.927%0.26621%0.207SC..Hα-helixtrans-50.1-33.1176.716.2-32.7000115N95 A150 L151 A152N95-P148 WeakPolarHBondContact O-CD 3.34Å; P148-A150 VanDerWaalsContact C-N 3.29Å; P148-A150 PolarHBondContact O-N 2.88Å; P148-L151 PolarHBondContact O-N 3.17Å; P148-A152 PolarHBondContact O-N 2.88Å
149D97.8Very high96Very high82 Ų8243.5 Ų43.544%0.43921%0.214SC..Hα-helixtrans-63.6-31.9177.5-66-28.6000113.5P101 H147 L151 A152 L153P101-D149 HydrophobicContact CG-CB 4.12Å; H147-D149 IonicContact CE1-OD2 3.24Å; H147-D149 PolarHBondContact CE1-OD2 2.81Å; H147-D149 PolarHBondContact ND1-N 2.83Å; H147-D149 IonicContact ND1-OD2 3.64Å; H147-D149 PolarHBondContact ND1-OD2 2.91Å; H147-D149 PolarHBondContact O-N 3.17Å; H147-D149 VanDerWaalsContact O-N 3.09Å; D149-L151 VanDerWaalsContact C-N 3.34Å; D149-A152 PolarHBondContact O-N 2.75Å; D149-L153 WeakPolarHBondContact O-CB 3.26Å; D149-L153 WeakPolarHBondContact O-CG 3.42Å; D149-L153 PolarHBondContact O-N 2.84Å
150A97.4Very high96.2Very high2 Ų243.4 Ų43.42%0.01721%0.214CC..Hα-helixtrans-65.7-41.2175.700000110.5P101 F146 H147 P148 A152 L153 A154 F160 L164P101-A150 HydrophobicContact CB-CB 4.26Å; P101-A150 HydrophobicContact CG-CB 4Å; F146-A150 HydrophobicContact CB-CB 4.12Å; H147-A150 WeakPolarHBondContact O-CB 3.35Å; H147-A150 PolarHBondContact O-N 2.93Å; P148-A150 VanDerWaalsContact C-N 3.29Å; P148-A150 PolarHBondContact O-N 2.88Å; A150-A152 VanDerWaalsContact C-N 3.35Å; A150-L153 PolarHBondContact O-N 3.08Å; A150-A154 WeakPolarHBondContact O-CB 3.47Å; A150-A154 PolarHBondContact O-N 3.2Å; A150-F160 HydrophobicContact CB-CE1 4.33Å; A150-F160 HydrophobicContact CB-CZ 4.43Å; A150-F160 VanDerWaalsContact O-CE1 3.26Å; A150-F160 WeakPolarHBondContact O-CE1 3.39Å; A150-L164 HydrophobicContact CB-CD1 4.18Å
151L96.9Very high96.2Very high4 Ų446.2 Ų46.22%0.02122%0.223CC..Hα-helixtrans-69.5-33.2174-80.571.9000111.5V92 F146 P148 D149 R155 L164V92-L151 HydrophobicContact CG1-CD1 4.4Å; F146-L151 HydrophobicContact CB-CD1 3.91Å; F146-L151 HydrophobicContact CD2-CD1 4.48Å; P148-L151 PolarHBondContact O-N 3.17Å; D149-L151 VanDerWaalsContact C-N 3.34Å; L151-R155 VanDerWaalsContact O-CG 3.24Å; L151-R155 WeakPolarHBondContact O-CG 3.18Å; L151-R155 PolarHBondContact O-N 2.68Å; L151-L164 HydrophobicContact CD1-CD2 4.35Å
152A96.7Very high96Very high25 Ų2551.9 Ų51.921%0.20725%0.249CC..Hα-helixtrans-66.4-40.4173.500000112.3P148 D149 A150 R155 R156P148-A152 PolarHBondContact O-N 2.88Å; D149-A152 PolarHBondContact O-N 2.75Å; A150-A152 VanDerWaalsContact C-N 3.35Å; A152-R155 PolarHBondContact O-N 2.63Å; A152-R156 PolarHBondContact O-N 3.27Å
153L95.3Very high95.9Very high31 Ų3154.2 Ų54.216%0.16226%0.261CS..Hα-helixtrans-64.9-45.7172.8-74.4165.4000111.5P101 W119 D149 A150 R155 R156 H157 F160P101-L153 HydrophobicContact CG-CD1 3.97Å; W119-L153 HydrophobicContact CH2-CD1 4.16Å; W119-L153 HydrophobicContact CZ3-CD1 4.12Å; D149-L153 WeakPolarHBondContact O-CB 3.26Å; D149-L153 WeakPolarHBondContact O-CG 3.42Å; D149-L153 PolarHBondContact O-N 2.84Å; A150-L153 PolarHBondContact O-N 3.08Å; L153-R155 PolarHBondContact O-N 2.87Å; L153-R156 PolarHBondContact O-N 3.08Å; L153-H157 PolarHBondContact O-N 3.26Å; L153-F160 HydrophobicContact CB-CD1 3.74Å; L153-F160 HydrophobicContact CB-CD2 4.28Å; L153-F160 HydrophobicContact CB-CE1 3.69Å; L153-F160 HydrophobicContact CB-CE2 4.22Å; L153-F160 HydrophobicContact CB-CG 4.06Å; L153-F160 HydrophobicContact CB-CZ 3.93Å; L153-F160 HydrophobicContact CD1-CE1 4.45Å; L153-F160 HydrophobicContact CD1-CE2 3.93Å; L153-F160 HydrophobicContact CD1-CZ 3.85Å
154A95.4Very high95.9Very high7 Ų754.1 Ų54.16%0.05826%0.261CS..Hα-helixtrans-62.3-27.2176.700000113.8A150 R156 F160 R161 L164A150-A154 WeakPolarHBondContact O-CB 3.47Å; A150-A154 PolarHBondContact O-N 3.2Å; A154-R156 VanDerWaalsContact C-N 3.35Å; A154-F160 HydrophobicContact CB-CD1 4.01Å; A154-F160 HydrophobicContact CB-CE1 4.48Å; A154-R161 HydrophobicContact CB-CB 3.93Å; A154-R161 HydrophobicContact CB-CG 4.22Å; A154-L164 HydrophobicContact CB-CD2 3.71Å
155R94.4Very high95.9Very high189 Ų18955 Ų5571%0.71327%0.266SS*.Hα-helixtrans-72.9-25.5172-72.6167.2-166.9167.97.6113.1L151 A152 L153L151-R155 VanDerWaalsContact O-CG 3.24Å; L151-R155 WeakPolarHBondContact O-CG 3.18Å; L151-R155 PolarHBondContact O-N 2.68Å; A152-R155 PolarHBondContact O-N 2.63Å; L153-R155 PolarHBondContact O-N 2.87Å
156R95.3Very high95.8Very high166 Ų16656.8 Ų56.863%0.62628%0.281SS*.Hα-helixtrans-95.5-33.9-178.2-67.4-171.9-64.2-1092.7113.5A152 L153 A154A152-R156 PolarHBondContact O-N 3.27Å; L153-R156 PolarHBondContact O-N 3.08Å; A154-R156 VanDerWaalsContact C-N 3.35Å
157H93.9Very high95.7Very high104 Ų10458.4 Ų58.448%0.48129%0.291SS..  trans-127.1115.5-172.4-53.2-77.2000110.9L153 G159 F160 R161L153-H157 PolarHBondContact O-N 3.26Å; H157-G159 PolarHBondContact O-N 3.3Å; H157-F160 HydrophobicContact CB-CB 3.92Å; H157-F160 PolarHBondContact O-N 3.39Å; H157-R161 PolarHBondContact O-N 3.21Å
158E93.6Very high95.7Very high115 Ų11556.9 Ų56.954%0.53728%0.284SS..Hα-helixtrans-65.9-39.1-177175.9153.4-13900113F160 R161 Q162E158-F160 VanDerWaalsContact C-N 3.31Å; E158-F160 PolarHBondContact O-N 2.81Å; E158-R161 WeakPolarHBondContact O-CB 3.39Å; E158-R161 PolarHBondContact O-N 3.06Å; E158-R161 VanDerWaalsContact O-N 3.1Å; E158-R161 IonicContact OE1-CZ 2.84Å; E158-R161 IonicContact OE1-NH2 3.83Å; E158-R161 PolarHBondContact OE1-NH2 2.85Å; E158-Q162 HydrophobicContact CG-CG 4.46Å; E158-Q162 WeakPolarHBondContact O-CG 3.46Å; E158-Q162 PolarHBondContact O-N 2.94Å
159G91.6Very high95.7Very high51 Ų5155.4 Ų55.453%0.52627%0.273SS..Hα-helixtrans-59.8-41.2174.100000112.5H157 R161 Q162 M163H157-G159 PolarHBondContact O-N 3.3Å; G159-R161 VanDerWaalsContact C-N 3.35Å; G159-R161 PolarHBondContact O-N 2.94Å; G159-Q162 PolarHBondContact O-N 3.19Å; G159-M163 PolarHBondContact O-N 3.13Å
160F94.3Very high95.6Very high15 Ų1555.8 Ų55.87%0.06627%0.273CS..Hα-helixtrans-64.6-38.8173.8-170.6-78.9000111.7P101 W119 L121 A150 L153 A154 H157 E158 M163 L164P101-F160 HydrophobicContact CB-CZ 4.38Å; W119-F160 HydrophobicContact CD2-CD2 4.24Å; W119-F160 AromaticContact CD2-CE2 3.73Å; W119-F160 HydrophobicContact CD2-CE2 3.73Å; W119-F160 AromaticContact CE2-CE2 3.94Å; W119-F160 AromaticContact CE3-CE2 3.64Å; W119-F160 HydrophobicContact CE3-CE2 3.64Å; W119-F160 HydrophobicContact CE3-CZ 4.49Å; W119-F160 HydrophobicContact CG-CE2 4.39Å; W119-F160 HydrophobicContact CH2-CD2 4.37Å; W119-F160 AromaticContact CH2-CE2 3.96Å; W119-F160 HydrophobicContact CH2-CE2 3.96Å; W119-F160 HydrophobicContact CZ2-CD2 4.1Å; W119-F160 HydrophobicContact CZ2-CE2 4.06Å; W119-F160 AromaticContact CZ3-CE2 3.76Å; W119-F160 HydrophobicContact CZ3-CE2 3.76Å; L121-F160 HydrophobicContact CD2-CE2 4.2Å; L121-F160 HydrophobicContact CD2-CZ 3.67Å; A150-F160 HydrophobicContact CB-CE1 4.33Å; A150-F160 HydrophobicContact CB-CZ 4.43Å; A150-F160 VanDerWaalsContact O-CE1 3.26Å; A150-F160 WeakPolarHBondContact O-CE1 3.39Å; L153-F160 HydrophobicContact CB-CD1 3.74Å; L153-F160 HydrophobicContact CB-CD2 4.28Å; L153-F160 HydrophobicContact CB-CE1 3.69Å; L153-F160 HydrophobicContact CB-CE2 4.22Å; L153-F160 HydrophobicContact CB-CG 4.06Å; L153-F160 HydrophobicContact CB-CZ 3.93Å; L153-F160 HydrophobicContact CD1-CE1 4.45Å; L153-F160 HydrophobicContact CD1-CE2 3.93Å; L153-F160 HydrophobicContact CD1-CZ 3.85Å; A154-F160 HydrophobicContact CB-CD1 4.01Å; A154-F160 HydrophobicContact CB-CE1 4.48Å; H157-F160 HydrophobicContact CB-CB 3.92Å; H157-F160 PolarHBondContact O-N 3.39Å; E158-F160 VanDerWaalsContact C-N 3.31Å; E158-F160 PolarHBondContact O-N 2.81Å; F160-M163 HydrophobicContact CD2-CE 3.39Å; F160-M163 HydrophobicContact CE2-CE 3.51Å; F160-M163 HydrophobicContact CG-CE 4Å; F160-M163 HydrophobicContact CZ-CE 4.2Å; F160-M163 PolarHBondContact O-N 2.98Å; F160-L164 HydrophobicContact CE1-CB 4.39Å; F160-L164 WeakPolarHBondContact O-CB 3.41Å; F160-L164 PolarHBondContact O-N 3.06Å
161R95.2Very high95.5Very high90 Ų9055.8 Ų55.834%0.3427%0.272SS..Hα-helixtrans-61.6-45174.3-174.7178.167.6-177.3-1.9112A154 H157 E158 G159 M163 L164 D165A154-R161 HydrophobicContact CB-CB 3.93Å; A154-R161 HydrophobicContact CB-CG 4.22Å; H157-R161 PolarHBondContact O-N 3.21Å; E158-R161 WeakPolarHBondContact O-CB 3.39Å; E158-R161 PolarHBondContact O-N 3.06Å; E158-R161 VanDerWaalsContact O-N 3.1Å; E158-R161 IonicContact OE1-CZ 2.84Å; E158-R161 IonicContact OE1-NH2 3.83Å; E158-R161 PolarHBondContact OE1-NH2 2.85Å; G159-R161 VanDerWaalsContact C-N 3.35Å; G159-R161 PolarHBondContact O-N 2.94Å; R161-M163 VanDerWaalsContact C-N 3.32Å; R161-M163 PolarHBondContact O-N 3.3Å; R161-L164 PolarHBondContact O-N 3.34Å; R161-D165 WeakPolarHBondContact O-CB 3.39Å; R161-D165 VanDerWaalsContact O-CG 3.28Å; R161-D165 PolarHBondContact O-N 3.44Å
162Q94.5Very high95.5Very high119 Ų11955.6 Ų55.656%0.55627%0.271SS*.Hα-helixtrans-62.2-41.6178.1-68.5175.816.800111.3E158 G159 A166E158-Q162 HydrophobicContact CG-CG 4.46Å; E158-Q162 WeakPolarHBondContact O-CG 3.46Å; E158-Q162 PolarHBondContact O-N 2.94Å; G159-Q162 PolarHBondContact O-N 3.19Å; Q162-A166 VanDerWaalsContact O-CB 3.29Å; Q162-A166 WeakPolarHBondContact O-CB 3.33Å; Q162-A166 PolarHBondContact O-N 3.07Å
163M94.8Very high95.4Very high59 Ų5955.9 Ų55.929%0.29127%0.269SS..Hα-helixtrans-61.8-48.7172.7178.5-179.870.100112W119 L121 G159 F160 R161 D165 A166 T167W119-M163 HydrophobicContact CB-CE 3.66Å; W119-M163 HydrophobicContact CB-SD 3.88Å; W119-M163 HydrophobicContact CD2-CE 4.07Å; W119-M163 HydrophobicContact CG-CE 3.46Å; W119-M163 VanDerWaalsContact CG-CE 3.46Å; W119-M163 HydrophobicContact CG-SD 3.99Å; L121-M163 HydrophobicContact CD1-CE 4.2Å; L121-M163 HydrophobicContact CD1-CG 4.37Å; G159-M163 PolarHBondContact O-N 3.13Å; F160-M163 HydrophobicContact CD2-CE 3.39Å; F160-M163 HydrophobicContact CE2-CE 3.51Å; F160-M163 HydrophobicContact CG-CE 4Å; F160-M163 HydrophobicContact CZ-CE 4.2Å; F160-M163 PolarHBondContact O-N 2.98Å; R161-M163 VanDerWaalsContact C-N 3.32Å; R161-M163 PolarHBondContact O-N 3.3Å; M163-D165 PolarHBondContact O-N 3.03Å; M163-A166 PolarHBondContact O-N 3.42Å; M163-T167 PolarHBondContact O-N 3.48Å; M163-T167 PolarHBondContact O-OG1 3.25Å; M163-T167 VanDerWaalsContact O-OG1 3.06Å
164L96.8Very high95.4Very high0 Ų060.8 Ų60.80%029%0.289CS..Hα-helixtrans-59.5-44.3177.7-174.570.4000111.9V92 L121 F146 A150 L151 A154 F160 R161 T167 A168V92-L164 HydrophobicContact CG1-CD2 4.15Å; V92-L164 HydrophobicContact CG1-CG 4.47Å; L121-L164 HydrophobicContact CD1-CD1 4.08Å; F146-L164 HydrophobicContact CD1-CD1 3.65Å; F146-L164 HydrophobicContact CD2-CD1 3.92Å; F146-L164 HydrophobicContact CE1-CD1 3.59Å; F146-L164 HydrophobicContact CE2-CD1 3.87Å; F146-L164 HydrophobicContact CE2-CG 4.31Å; F146-L164 HydrophobicContact CG-CD1 3.8Å; F146-L164 HydrophobicContact CZ-CD1 3.7Å; F146-L164 HydrophobicContact CZ-CG 4.4Å; A150-L164 HydrophobicContact CB-CD1 4.18Å; L151-L164 HydrophobicContact CD1-CD2 4.35Å; A154-L164 HydrophobicContact CB-CD2 3.71Å; F160-L164 HydrophobicContact CE1-CB 4.39Å; F160-L164 WeakPolarHBondContact O-CB 3.41Å; F160-L164 PolarHBondContact O-N 3.06Å; R161-L164 PolarHBondContact O-N 3.34Å; L164-T167 PolarHBondContact O-N 3.07Å; L164-A168 WeakPolarHBondContact O-CB 3.27Å; L164-A168 PolarHBondContact O-N 3.46Å
165D97.2Very high95.3Very high18 Ų1865.7 Ų65.710%0.09631%0.31CS..Hα-helixtrans-65.2-39.1176.9-74-15.9000111.5H76 L78 R161 M163 A168 L169H76-D165 IonicContact CD2-OD1 3.75Å; H76-D165 IonicContact CE1-OD1 3.11Å; H76-D165 IonicContact NE2-OD1 3.22Å; H76-D165 PolarHBondContact NE2-OD1 2.87Å; H76-D165 IonicContact NE2-OD2 3.44Å; L78-D165 HydrophobicContact CD1-CB 3.79Å; L78-D165 HydrophobicContact CD2-CB 4.28Å; R161-D165 WeakPolarHBondContact O-CB 3.39Å; R161-D165 VanDerWaalsContact O-CG 3.28Å; R161-D165 PolarHBondContact O-N 3.44Å; M163-D165 PolarHBondContact O-N 3.03Å; D165-A168 PolarHBondContact O-N 2.9Å; D165-L169 WeakPolarHBondContact O-CG 3.36Å; D165-L169 PolarHBondContact O-N 3.24Å; D165-L169 VanDerWaalsContact O-N 3.1Å
166A96.1Very high95.2Very high41 Ų4159.9 Ų59.934%0.33929%0.29SS..Hα-helixtrans-66.2-45.4174.700000112Q162 M163 A168 L169 E170Q162-A166 VanDerWaalsContact O-CB 3.29Å; Q162-A166 WeakPolarHBondContact O-CB 3.33Å; Q162-A166 PolarHBondContact O-N 3.07Å; M163-A166 PolarHBondContact O-N 3.42Å; A166-A168 VanDerWaalsContact C-N 3.31Å; A166-A168 PolarHBondContact O-N 2.93Å; A166-L169 PolarHBondContact O-N 3.3Å; A166-E170 WeakPolarHBondContact O-CB 3.47Å; A166-E170 PolarHBondContact O-N 3.43Å
167T97Very high95.1Very high36 Ų3655.5 Ų55.522%0.22130%0.296CS..Hα-helixtrans-60.2-39.9174.1-58.50000111.5L121 Y123 F146 M163 L164 E170 A171L121-T167 HydrophobicContact CB-CG2 4.44Å; L121-T167 HydrophobicContact CD1-CG2 4.38Å; Y123-T167 HydrophobicContact CD1-CG2 4.31Å; Y123-T167 HydrophobicContact CE1-CG2 4.33Å; F146-T167 HydrophobicContact CE1-CG2 4.29Å; M163-T167 PolarHBondContact O-N 3.48Å; M163-T167 PolarHBondContact O-OG1 3.25Å; M163-T167 VanDerWaalsContact O-OG1 3.06Å; L164-T167 PolarHBondContact O-N 3.07Å; T167-E170 PolarHBondContact O-N 2.86Å; T167-A171 VanDerWaalsContact O-CB 3.28Å; T167-A171 WeakPolarHBondContact O-CB 3.26Å; T167-A171 PolarHBondContact O-N 2.75Å
168A97.8Very high95.1Very high0 Ų051.9 Ų51.90%028%0.282CS..Hα-helixtrans-64.3-40176.900000112.8V90 V92 V144 F146 L164 D165 A166 V172V90-A168 HydrophobicContact CG1-CB 4.43Å; V92-A168 HydrophobicContact CG2-CB 3.99Å; V144-A168 HydrophobicContact CB-CB 4.25Å; V144-A168 HydrophobicContact CG1-CB 4.28Å; V144-A168 HydrophobicContact CG2-CB 4.07Å; F146-A168 HydrophobicContact CE2-CB 4.02Å; F146-A168 HydrophobicContact CZ-CB 4.03Å; L164-A168 WeakPolarHBondContact O-CB 3.27Å; L164-A168 PolarHBondContact O-N 3.46Å; D165-A168 PolarHBondContact O-N 2.9Å; A166-A168 VanDerWaalsContact C-N 3.31Å; A166-A168 PolarHBondContact O-N 2.93Å; A168-V172 WeakPolarHBondContact O-CG2 3.38Å
169L97.5Very high95.1Very high9 Ų953.8 Ų53.85%0.04729%0.288CS..Hα-helixtrans-68.7-45.1174.6-67.1168.6000111.3L78 T80 V90 D165 A166 A171 V172 E173 L180 R182 A185L78-L169 HydrophobicContact CD1-CD1 4.43Å; L78-L169 HydrophobicContact CD1-CD2 4.32Å; L78-L169 HydrophobicContact CD1-CG 4.11Å; T80-L169 HydrophobicContact CG2-CD2 4.1Å; V90-L169 HydrophobicContact CG2-CD2 4.1Å; D165-L169 WeakPolarHBondContact O-CG 3.36Å; D165-L169 PolarHBondContact O-N 3.24Å; D165-L169 VanDerWaalsContact O-N 3.1Å; A166-L169 PolarHBondContact O-N 3.3Å; L169-A171 PolarHBondContact O-N 2.69Å; L169-V172 PolarHBondContact O-N 3.26Å; L169-E173 WeakPolarHBondContact O-CG 3.47Å; L169-E173 PolarHBondContact O-N 3.06Å; L169-E173 VanDerWaalsContact O-N 3.14Å; L169-L180 HydrophobicContact CB-CD1 4.31Å; L169-L180 HydrophobicContact CD2-CD1 3.64Å; L169-R182 HydrophobicContact CD1-CG 4.41Å; L169-A185 HydrophobicContact CD1-CB 3.88Å
170E96.2Very high95.3Very high91 Ų9151.8 Ų51.843%0.42527%0.265SS..Hα-helixtrans-62.5-40.2178.9-175175.6145.200112.8A166 T167 V172 E173 K174 R182A166-E170 WeakPolarHBondContact O-CB 3.47Å; A166-E170 PolarHBondContact O-N 3.43Å; T167-E170 PolarHBondContact O-N 2.86Å; E170-V172 VanDerWaalsContact C-N 3.3Å; E170-V172 PolarHBondContact O-N 3.47Å; E170-E173 PolarHBondContact O-N 3.43Å; E170-K174 WeakPolarHBondContact O-CB 3.46Å; E170-K174 PolarHBondContact O-N 2.84Å; E170-R182 IonicContact OE2-NH1 3.08Å; E170-R182 IonicContact OE2-NH2 3.35Å
171A95.6Very high95.3Very high1 Ų151.6 Ų51.61%0.00827%0.265CS..Hα-helixtrans-55.5-45.3176.100000112Y123 T167 L169 Q175Y123-A171 HydrophobicContact CD1-CB 4.5Å; Y123-A171 HydrophobicContact CD2-CB 4.07Å; Y123-A171 HydrophobicContact CE1-CB 3.97Å; Y123-A171 HydrophobicContact CE2-CB 3.49Å; Y123-A171 VanDerWaalsContact CE2-CB 3.49Å; Y123-A171 VanDerWaalsContact CZ-CB 3.43Å; T167-A171 VanDerWaalsContact O-CB 3.28Å; T167-A171 WeakPolarHBondContact O-CB 3.26Å; T167-A171 PolarHBondContact O-N 2.75Å; L169-A171 PolarHBondContact O-N 2.69Å; A171-Q175 VanDerWaalsContact O-CB 3.27Å; A171-Q175 WeakPolarHBondContact O-CB 3.35Å; A171-Q175 PolarHBondContact O-N 3.44Å
172V96.6Very high95.2Very high0 Ų052.7 Ų52.70%027%0.269CS..Hα-helixtrans-64.6-48.5177.6174.80000111.2V90 L125 Y142 V144 A168 L169 E170 F176 V178 L180V90-V172 HydrophobicContact CG1-CG2 4.26Å; V90-V172 HydrophobicContact CG2-CG2 4.36Å; L125-V172 HydrophobicContact CD1-CG2 3.89Å; Y142-V172 HydrophobicContact CD1-CG1 3.94Å; Y142-V172 HydrophobicContact CD1-CG2 4.36Å; Y142-V172 HydrophobicContact CD2-CG1 3.69Å; Y142-V172 HydrophobicContact CD2-CG2 4.44Å; Y142-V172 HydrophobicContact CE1-CG1 3.95Å; Y142-V172 HydrophobicContact CE2-CG1 3.72Å; Y142-V172 HydrophobicContact CG-CG1 3.79Å; Y142-V172 HydrophobicContact CG-CG2 3.99Å; V144-V172 HydrophobicContact CG2-CG2 4.15Å; A168-V172 WeakPolarHBondContact O-CG2 3.38Å; L169-V172 PolarHBondContact O-N 3.26Å; E170-V172 VanDerWaalsContact C-N 3.3Å; E170-V172 PolarHBondContact O-N 3.47Å; V172-F176 HydrophobicContact CG1-CD2 4.13Å; V172-F176 WeakPolarHBondContact O-CD2 3.4Å; V172-F176 PolarHBondContact O-N 2.85Å; V172-F176 VanDerWaalsContact O-N 3.16Å; V172-V178 HydrophobicContact CG1-CG2 3.98Å; V172-L180 HydrophobicContact CB-CD1 3.96Å; V172-L180 HydrophobicContact CG1-CD1 3.86Å; V172-L180 HydrophobicContact CG1-CG 4.48Å
173E95.3Very high95Very high32 Ų3251.2 Ų51.215%0.1526%0.258CS..Hα-helixtrans-61.5-46.6179.7-66.5179.3134.800111.7L169 E170 G177 V178 L180 R182L169-E173 WeakPolarHBondContact O-CG 3.47Å; L169-E173 PolarHBondContact O-N 3.06Å; L169-E173 VanDerWaalsContact O-N 3.14Å; E170-E173 PolarHBondContact O-N 3.43Å; E173-G177 VanDerWaalsContact O-CA 3.31Å; E173-G177 WeakPolarHBondContact O-CA 3.3Å; E173-G177 PolarHBondContact O-N 3.22Å; E173-V178 VanDerWaalsContact CA-O 3.29Å; E173-V178 WeakPolarHBondContact CA-O 3.28Å; E173-V178 VanDerWaalsContact CB-O 3.3Å; E173-V178 WeakPolarHBondContact CB-O 3.42Å; E173-V178 WeakPolarHBondContact CG-O 3.49Å; E173-V178 PolarHBondContact O-N 3.4Å; E173-L180 HydrophobicContact CG-CB 4.03Å; E173-L180 HydrophobicContact CG-CD1 4.12Å; E173-L180 HydrophobicContact CG-CG 3.76Å; E173-L180 WeakPolarHBondContact OE1-CA 3.49Å; E173-L180 WeakPolarHBondContact OE1-CB 3.46Å; E173-L180 PolarHBondContact OE1-N 3.3Å; E173-R182 IonicContact OE1-NE 2.77Å; E173-R182 IonicContact OE2-CZ 2.62Å; E173-R182 IonicContact OE2-NE 2.73Å; E173-R182 PolarHBondContact OE2-NE 2.92Å; E173-R182 IonicContact OE2-NH2 3.78Å; E173-R182 PolarHBondContact OE2-NH2 3.44Å
174K94.2Very high95Very high134 Ų13448.6 Ų48.658%0.58325%0.246SC*.Hα-helixtrans-69.6-40-176.4-175.5176.7-178.7175.70113.5E170E170-K174 WeakPolarHBondContact O-CB 3.46Å; E170-K174 PolarHBondContact O-N 2.84Å
175Q93.4Very high94.9Very high109 Ų10949.9 Ų49.951%0.50926%0.256SS..Hα-helixtrans-80.9-33.2-176.3-175167.3-32.600112.8L125 A171L125-Q175 HydrophobicContact CD2-CB 3.65Å; L125-Q175 VanDerWaalsContact CD2-CD 3.49Å; L125-Q175 HydrophobicContact CD2-CG 4.01Å; L125-Q175 VanDerWaalsContact CD2-OE1 3.27Å; A171-Q175 VanDerWaalsContact O-CB 3.27Å; A171-Q175 WeakPolarHBondContact O-CB 3.35Å; A171-Q175 PolarHBondContact O-N 3.44Å
176F93.5Very high94.7Very high68 Ų6852.5 Ų52.530%0.29827%0.267SS..Hα-helixtrans-105.9-5-176.7-57.1-63.6000114.5L125 A126 Y142 V172 V178L125-F176 HydrophobicContact CD1-CE2 4.33Å; L125-F176 HydrophobicContact CD2-CD2 4.05Å; L125-F176 HydrophobicContact CD2-CE2 3.31Å; L125-F176 HydrophobicContact CD2-CZ 3.84Å; L125-F176 HydrophobicContact CG-CE2 3.72Å; L125-F176 HydrophobicContact CG-CZ 4.02Å; A126-F176 WeakPolarHBondContact O-CZ 3.17Å; Y142-F176 AromaticContact CD1-CD2 3.8Å; Y142-F176 HydrophobicContact CD1-CD2 3.8Å; Y142-F176 AromaticContact CD1-CE2 3.46Å; Y142-F176 HydrophobicContact CD1-CE2 3.46Å; Y142-F176 VanDerWaalsContact CD1-CE2 3.46Å; Y142-F176 HydrophobicContact CD1-CZ 4.28Å; Y142-F176 AromaticContact CE1-CD2 3.35Å; Y142-F176 HydrophobicContact CE1-CD2 3.35Å; Y142-F176 AromaticContact CE1-CE2 3.45Å; Y142-F176 HydrophobicContact CE1-CE2 3.45Å; Y142-F176 VanDerWaalsContact CE1-CE2 3.45Å; Y142-F176 HydrophobicContact CE1-CG 4.05Å; Y142-F176 HydrophobicContact CE1-CZ 4.24Å; V172-F176 HydrophobicContact CG1-CD2 4.13Å; V172-F176 WeakPolarHBondContact O-CD2 3.4Å; V172-F176 PolarHBondContact O-N 2.85Å; V172-F176 VanDerWaalsContact O-N 3.16Å; F176-V178 VanDerWaalsContact C-N 3.28Å; F176-V178 HydrophobicContact CB-CG1 4.15Å; F176-V178 HydrophobicContact CB-CG2 4.25Å; F176-V178 PolarHBondContact O-N 2.84Å
177G92.4Very high94.7Very high73 Ų7353.9 Ų53.975%0.75327%0.271SS*.THydrogen-bonded Turntrans69.523.8179.500000114E173E173-G177 VanDerWaalsContact O-CA 3.31Å; E173-G177 WeakPolarHBondContact O-CA 3.3Å; E173-G177 PolarHBondContact O-N 3.22Å
178V93.7Very high94.6Very high28 Ų2854.5 Ų54.517%0.1727%0.273CS..  trans-101.7161.6-177.1-61.20000111.5L82 V172 E173 F176L82-V178 HydrophobicContact CD1-CB 3.6Å; L82-V178 HydrophobicContact CD1-CG1 4.04Å; L82-V178 HydrophobicContact CD1-CG2 3.68Å; V172-V178 HydrophobicContact CG1-CG2 3.98Å; E173-V178 VanDerWaalsContact CA-O 3.29Å; E173-V178 WeakPolarHBondContact CA-O 3.28Å; E173-V178 VanDerWaalsContact CB-O 3.3Å; E173-V178 WeakPolarHBondContact CB-O 3.42Å; E173-V178 WeakPolarHBondContact CG-O 3.49Å; E173-V178 PolarHBondContact O-N 3.4Å; F176-V178 VanDerWaalsContact C-N 3.28Å; F176-V178 HydrophobicContact CB-CG1 4.15Å; F176-V178 HydrophobicContact CB-CG2 4.25Å; F176-V178 PolarHBondContact O-N 2.84Å
179K94.4Very high94.3Very high155 Ų15564.9 Ų64.967%0.67432%0.318SS*.  trans-110.9125175.6-170.2172.8-175.8174.20111.4D83D83-K179 PolarHBondContact N-O 2.9Å; D83-K179 PolarHBondContact OD1-N 3.24Å
180L95.4Very high94.1Very high9 Ų966.7 Ų66.75%0.04733%0.334CS..BIsolated β-bridgetrans-103.9145.4176-60.1-177.4000111.2T80 S81 L82 C88 V90 L169 V172 E173 R182T80-L180 HydrophobicContact CG2-CB 4.21Å; T80-L180 HydrophobicContact CG2-CD1 4.31Å; T80-L180 HydrophobicContact CG2-CD2 4.05Å; T80-L180 HydrophobicContact CG2-CG 4.43Å; S81-L180 WeakPolarHBondContact O-CA 3.29Å; L82-L180 HydrophobicContact CD1-CD2 3.6Å; C88-L180 HydrophobicContact CB-CD2 4.24Å; V90-L180 HydrophobicContact CG2-CD1 4.28Å; L169-L180 HydrophobicContact CB-CD1 4.31Å; L169-L180 HydrophobicContact CD2-CD1 3.64Å; V172-L180 HydrophobicContact CB-CD1 3.96Å; V172-L180 HydrophobicContact CG1-CD1 3.86Å; V172-L180 HydrophobicContact CG1-CG 4.48Å; E173-L180 HydrophobicContact CG-CB 4.03Å; E173-L180 HydrophobicContact CG-CD1 4.12Å; E173-L180 HydrophobicContact CG-CG 3.76Å; E173-L180 WeakPolarHBondContact OE1-CA 3.49Å; E173-L180 WeakPolarHBondContact OE1-CB 3.46Å; E173-L180 PolarHBondContact OE1-N 3.3Å; L180-R182 VanDerWaalsContact C-N 3.28Å; L180-R182 PolarHBondContact O-N 3.35Å
181D94.4Very high94.1Very high11 Ų1169.3 Ų69.36%0.05934%0.344CS..  trans-77.480.5172.6-172.9-10.9000109.9T80 S81 R183 N184 A185 T251 Y316T80-D181 WeakPolarHBondContact OG1-CA 3.26Å; T80-D181 WeakPolarHBondContact OG1-CB 3.48Å; T80-D181 PolarHBondContact OG1-N 3.46Å; T80-D181 VanDerWaalsContact OG1-N 3.11Å; T80-D181 PolarHBondContact OG1-O 2.97Å; S81-D181 PolarHBondContact O-N 3.17Å; S81-D181 VanDerWaalsContact O-N 3.14Å; S81-D181 VanDerWaalsContact OG-CB 3.26Å; S81-D181 WeakPolarHBondContact OG-CB 3.5Å; D181-R183 VanDerWaalsContact C-N 3.3Å; D181-R183 PolarHBondContact O-N 3.41Å; D181-R183 PolarHBondContact OD1-N 2.89Å; D181-N184 PolarHBondContact O-N 3.26Å; D181-N184 WeakPolarHBondContact OD1-CB 3.27Å; D181-N184 PolarHBondContact OD1-N 2.67Å; D181-N184 PolarHBondContact OD1-ND2 3.14Å; D181-N184 VanDerWaalsContact OD2-CB 3.31Å; D181-N184 WeakPolarHBondContact OD2-CB 3.19Å; D181-N184 PolarHBondContact OD2-ND2 3.29Å; D181-A185 PolarHBondContact O-N 3.42Å; D181-A185 VanDerWaalsContact O-N 3.08Å; D181-T251 PolarHBondContact OD1-OG1 3.43Å; D181-T251 WeakPolarHBondContact OD2-CG2 3.38Å; D181-Y316 WeakPolarHBondContact OD2-CE1 3.43Å
182R92.6Very high94.1Very high113 Ų11370.8 Ų70.843%0.42635%0.35SS..THydrogen-bonded Turntrans-57.1-41178.6-64.7-171.6-178-159.23.8111.7L169 E170 E173 L180 N184 A185L169-R182 HydrophobicContact CD1-CG 4.41Å; E170-R182 IonicContact OE2-NH1 3.08Å; E170-R182 IonicContact OE2-NH2 3.35Å; E173-R182 IonicContact OE1-NE 2.77Å; E173-R182 IonicContact OE2-CZ 2.62Å; E173-R182 IonicContact OE2-NE 2.73Å; E173-R182 PolarHBondContact OE2-NE 2.92Å; E173-R182 IonicContact OE2-NH2 3.78Å; E173-R182 PolarHBondContact OE2-NH2 3.44Å; L180-R182 VanDerWaalsContact C-N 3.28Å; L180-R182 PolarHBondContact O-N 3.35Å; R182-N184 PolarHBondContact O-N 2.77Å; R182-A185 WeakPolarHBondContact O-CB 3.34Å; R182-A185 PolarHBondContact O-N 3.42Å
183R90.9Very high94.1Very high88 Ų8873.7 Ų73.733%0.33236%0.362SS..THydrogen-bonded Turntrans-63.6-38.4-179.1-178176.4-179.5138.67.4112.6D181 P248 A249 D315D181-R183 VanDerWaalsContact C-N 3.3Å; D181-R183 PolarHBondContact O-N 3.41Å; D181-R183 PolarHBondContact OD1-N 2.89Å; R183-P248 HydrophobicContact CB-CB 4.31Å; R183-P248 HydrophobicContact CB-CG 4.36Å; R183-P248 HydrophobicContact CG-CG 4.29Å; R183-P248 PolarHBondContact NH1-O 3.43Å; R183-A249 VanDerWaalsContact CD-O 3.22Å; R183-A249 WeakPolarHBondContact CD-O 3.23Å; R183-A249 PolarHBondContact NH1-O 2.89Å; R183-A249 VanDerWaalsContact NH1-O 3.13Å; R183-D315 IonicContact CZ-OD1 3.96Å; R183-D315 IonicContact CZ-OD2 3.92Å; R183-D315 VanDerWaalsContact NE-CG 3.3Å; R183-D315 IonicContact NE-OD1 3.01Å; R183-D315 IonicContact NE-OD2 2.85Å; R183-D315 PolarHBondContact NE-OD2 2.87Å; R183-D315 VanDerWaalsContact NE-OD2 3.1Å; R183-D315 IonicContact NH2-OD1 3.28Å; R183-D315 IonicContact NH2-OD2 3.69Å; R183-D315 PolarHBondContact NH2-OD2 2.93Å
184N93.3Very high93.9Very high4 Ų473.6 Ų73.62%0.02137%0.37CS..THydrogen-bonded Turntrans-97.87.4-179.9-65.8-59.7000114.8D181 R182 K186 T251 L291 P314 D315D181-N184 PolarHBondContact O-N 3.26Å; D181-N184 WeakPolarHBondContact OD1-CB 3.27Å; D181-N184 PolarHBondContact OD1-N 2.67Å; D181-N184 PolarHBondContact OD1-ND2 3.14Å; D181-N184 VanDerWaalsContact OD2-CB 3.31Å; D181-N184 WeakPolarHBondContact OD2-CB 3.19Å; D181-N184 PolarHBondContact OD2-ND2 3.29Å; R182-N184 PolarHBondContact O-N 2.77Å; N184-K186 PolarHBondContact O-N 2.9Å; N184-T251 PolarHBondContact ND2-OG1 2.83Å; N184-L291 HydrophobicContact CB-CD1 3.42Å; N184-L291 VanDerWaalsContact CB-CD1 3.42Å; N184-P314 HydrophobicContact CB-CB 3.98Å; N184-P314 VanDerWaalsContact CG-CB 3.46Å; N184-P314 VanDerWaalsContact OD1-CA 3.29Å; N184-P314 WeakPolarHBondContact OD1-CA 3.36Å; N184-P314 WeakPolarHBondContact OD1-CB 3.49Å; N184-D315 PolarHBondContact ND2-O 3.27Å; N184-D315 PolarHBondContact OD1-N 3.28Å
185A94.6Very high93.7Very high27 Ų2771.2 Ų71.222%0.22337%0.367CS..  trans-57.5128.717200000110.5R79 L169 D181 R182R79-A185 WeakPolarHBondContact O-CA 3.22Å; L169-A185 HydrophobicContact CD1-CB 3.88Å; D181-A185 PolarHBondContact O-N 3.42Å; D181-A185 VanDerWaalsContact O-N 3.08Å; R182-A185 WeakPolarHBondContact O-CB 3.34Å; R182-A185 PolarHBondContact O-N 3.42Å
186K94.4Very high93.5Very high73 Ų7368.7 Ų68.732%0.31736%0.36SS..EExtended strand (participates in β ladder)trans-137.6121.7-178.4-72.3175.5-174.5171.80111.4R79 N184R79-K186 PolarHBondContact N-O 2.98Å; R79-K186 PolarHBondContact O-N 3.05Å; N184-K186 PolarHBondContact O-N 2.9Å
187T95.6Very high93.3Very high70 Ų7069.8 Ų69.843%0.42937%0.366SS..EExtended strand (participates in β ladder)trans-59.4135.3171.8-34.80000110.6H76 V77 L78H76-T187 HydrophobicContact CB-CG2 4.17Å; V77-T187 CarbonylContact O-C 3.6Å; V77-T187 WeakPolarHBondContact O-CA 3.28Å; L78-T187 HydrophobicContact CD2-CG2 4.26Å
188L94.6Very high93.2Very high49 Ų4967.5 Ų67.526%0.25734%0.34SS..  trans-99.7161.4177.5-57.6-176.5000111.1V77 R79 F89 A190V77-L188 HydrophobicContact CB-CB 4.38Å; V77-L188 HydrophobicContact CB-CD1 4.34Å; V77-L188 HydrophobicContact CG1-CD1 4.14Å; V77-L188 PolarHBondContact O-N 2.88Å; R79-L188 HydrophobicContact CB-CD1 4.12Å; R79-L188 HydrophobicContact CB-CD2 3.94Å; R79-L188 HydrophobicContact CB-CG 4.05Å; F89-L188 HydrophobicContact CD1-CD1 3.84Å; F89-L188 HydrophobicContact CE1-CD1 3.78Å; L188-A190 PolarHBondContact O-N 2.92Å
189K92.3Very high93Very high219 Ų21967.1 Ų67.195%0.95234%0.34SS*.SBendtrans-71.8-12.9170.7-62-171176.7-170.30113.6
190A93.5Very high92.8Very high47 Ų4762.5 Ų62.539%0.38832%0.324SS..  trans-79.6142.7175.800000109.9V77 L188V77-A190 WeakPolarHBondContact CG2-O 3.01Å; V77-A190 PolarHBondContact N-O 3.37Å; L188-A190 PolarHBondContact O-N 2.92Å
191K94.9Very high92.4Very high145 Ų14565.3 Ų65.363%0.6334%0.339SS*.SBendtrans-81.7-25.1176.9-61.6-172.7177.8-177.10113.6P74 G75 H76P74-K191 HydrophobicContact CB-CB 3.72Å; G75-K191 CarbonylContact C-O 3.15Å; G75-K191 WeakPolarHBondContact O-CA 3.46Å; G75-K191 WeakPolarHBondContact O-CB 3.38Å; H76-K191 PolarHBondContact N-O 2.89Å
192Y96.5Very high92Very high32 Ų3268.5 Ų68.513%0.12535%0.35CS..  trans-151.7157.5-178.7-164.3-95.5000110.7P74 V77 N91 R129 D143 G194 T195 P196P74-Y192 HydrophobicContact CG-CD2 4.34Å; P74-Y192 HydrophobicContact CG-CG 4.32Å; V77-Y192 VanDerWaalsContact CG2-C 3.49Å; V77-Y192 VanDerWaalsContact CG2-CA 3.45Å; N91-Y192 HydrophobicContact CB-CD2 3.89Å; N91-Y192 HydrophobicContact CB-CE2 3.77Å; N91-Y192 VanDerWaalsContact ND2-CE2 3.29Å; N91-Y192 WeakPolarHBondContact ND2-CE2 3.36Å; N91-Y192 VanDerWaalsContact ND2-CZ 3.27Å; R129-Y192 PolarHBondContact NH2-OH 2.71Å; D143-Y192 WeakPolarHBondContact OD1-CE2 3.31Å; D143-Y192 VanDerWaalsContact OD1-CZ 3.22Å; D143-Y192 PolarHBondContact OD1-OH 3.29Å; D143-Y192 PolarHBondContact OD2-OH 3.04Å; Y192-G194 WeakPolarHBondContact CD1-O 3.33Å; Y192-T195 PolarHBondContact OH-O 2.78Å; Y192-P196 HydrophobicContact CD1-CG 3.88Å; Y192-P196 HydrophobicContact CE1-CB 4.31Å; Y192-P196 HydrophobicContact CE1-CG 3.69Å; Y192-P196 HydrophobicContact CG-CG 4.39Å; Y192-P196 WeakPolarHBondContact OH-CA 3.36Å
193K95.1Very high91.6Very high61 Ų6166.3 Ų66.327%0.26535%0.35SS..  trans-136126177.9-177.360.6173.6132.50110.3V77 F89 N91 Y139 V141V77-K193 HydrophobicContact CG1-CB 3.98Å; V77-K193 HydrophobicContact CG2-CB 4.2Å; F89-K193 HydrophobicContact CB-CB 4.21Å; F89-K193 HydrophobicContact CB-CG 3.9Å; F89-K193 HydrophobicContact CD1-CG 4.07Å; F89-K193 HydrophobicContact CD2-CG 4.11Å; F89-K193 HydrophobicContact CG-CB 4.5Å; F89-K193 HydrophobicContact CG-CG 3.77Å; N91-K193 PolarHBondContact ND2-O 2.73Å; N91-K193 WeakPolarHBondContact OD1-CB 3.3Å; N91-K193 PolarHBondContact OD1-N 2.91Å; Y139-K193 HydrophobicContact CE2-CD 4.31Å; Y139-K193 VanDerWaalsContact CE2-CE 3.41Å; Y139-K193 HydrophobicContact CE2-CG 4.13Å; Y139-K193 PolarHBondContact OH-NZ 2.86Å; V141-K193 VanDerWaalsContact CG1-O 3.29Å; V141-K193 WeakPolarHBondContact CG1-O 3.49Å; V141-K193 HydrophobicContact CG2-CG 4.09Å
194G91.8Very high91.3Very high30 Ų3065.6 Ų65.631%0.30936%0.357SS..SBendtrans92.8-158.8-173.400000111.2Y192Y192-G194 WeakPolarHBondContact CD1-O 3.33Å
195T89.7Confident90.8Very high85 Ų8567.4 Ų67.452%0.52137%0.366SS..  trans-104131.4176.7-54.40000109.7R129 Y131 Y192 E197R129-T195 PolarHBondContact NH2-O 2.85Å; Y131-T195 PolarHBondContact OH-N 3.47Å; Y131-T195 VanDerWaalsContact OH-N 3.08Å; Y192-T195 PolarHBondContact OH-O 2.78Å; T195-E197 PolarHBondContact O-N 3.29Å
196P90.1Very high89.7Confident56 Ų5672.3 Ų72.336%0.36440%0.395SS..  trans-65116.2174.4-23.835000112.7P72 Y192P72-P196 HydrophobicContact CG-CB 4.25Å; Y192-P196 HydrophobicContact CD1-CG 3.88Å; Y192-P196 HydrophobicContact CE1-CB 4.31Å; Y192-P196 HydrophobicContact CE1-CG 3.69Å; Y192-P196 HydrophobicContact CG-CG 4.39Å; Y192-P196 WeakPolarHBondContact OH-CA 3.36Å
197E88.3Confident88.1Confident91 Ų9172.6 Ų72.643%0.42542%0.42SS..  trans-115.2142.2176-73162.3-129.200109P72 R129 Y131 T195P72-E197 WeakPolarHBondContact CD-O 3.48Å; P72-E197 WeakPolarHBondContact CG-O 3.43Å; R129-E197 VanDerWaalsContact CD-CD 3.42Å; R129-E197 VanDerWaalsContact CD-OE1 3.28Å; R129-E197 WeakPolarHBondContact CD-OE1 3.36Å; R129-E197 WeakPolarHBondContact CD-OE2 3.34Å; R129-E197 IonicContact CZ-OE1 2.73Å; R129-E197 IonicContact CZ-OE2 3.18Å; R129-E197 IonicContact NE-OE1 2.88Å; R129-E197 PolarHBondContact NE-OE1 2.86Å; R129-E197 IonicContact NE-OE2 2.64Å; R129-E197 PolarHBondContact NE-OE2 2.85Å; R129-E197 IonicContact NH2-OE1 3Å; Y131-E197 PolarHBondContact OH-OE1 3.25Å; T195-E197 PolarHBondContact O-N 3.29Å
198A90.4Very high85.9Confident24 Ų2472.5 Ų72.520%0.19842%0.419CS..  trans-87.4130.1-178.200000110.6R49 F69 V70R49-A198 VanDerWaalsContact NH2-CB 3.3Å; F69-A198 HydrophobicContact CB-CB 4.31Å; F69-A198 HydrophobicContact CD1-CB 4.47Å; V70-A198 WeakPolarHBondContact O-CA 3.34Å
199A91.1Very high83.5Confident21 Ų2177 Ų7717%0.17444%0.442CS..EExtended strand (participates in β ladder)trans-76.1143.4169.100000109.7V70V70-A199 HydrophobicContact CB-CB 4.44Å; V70-A199 PolarHBondContact N-O 2.81Å; V70-A199 PolarHBondContact O-N 2.85Å; V70-A199 VanDerWaalsContact O-N 3.12Å
200V89.9Confident81.4Confident57 Ų5772 Ų7235%0.34543%0.425SS..EExtended strand (participates in β ladder)trans-104.6113.7-177.6-171.70000109.7V67 F69 R202V67-V200 HydrophobicContact CG1-CG1 3.42Å; V67-V200 VanDerWaalsContact CG1-CG1 3.42Å; F69-V200 HydrophobicContact CD1-CG2 3.83Å; F69-V200 HydrophobicContact CE1-CG1 4.41Å; F69-V200 HydrophobicContact CE1-CG2 3.69Å; V200-R202 HydrophobicContact CG1-CG 4.24Å
201L85.9Confident78.7Confident69 Ų6972.9 Ų72.936%0.36143%0.431SS..EExtended strand (participates in β ladder)trans-87.7128.5169.4-63.4178.7000109V67 R68 V70V67-L201 WeakPolarHBondContact CA-O 3.47Å; R68-L201 HydrophobicContact CB-CB 4.48Å; R68-L201 PolarHBondContact N-O 3.28Å; R68-L201 PolarHBondContact O-N 2.83Å; V70-L201 HydrophobicContact CG2-CD1 3.5Å; V70-L201 VanDerWaalsContact CG2-CD1 3.5Å; V70-L201 HydrophobicContact CG2-CG 3.7Å
202R85.7Confident76.3Confident77 Ų7771.3 Ų71.329%0.29142%0.422SS..EExtended strand (participates in β ladder)trans-118.9126.3174.2-61.7-168.5162.175.9-1109.2E60 V65 E66 V67 V200E60-R202 IonicContact OE1-CZ 2.7Å; E60-R202 IonicContact OE1-NE 3.96Å; E60-R202 PolarHBondContact OE1-NE 2.94Å; E60-R202 IonicContact OE1-NH2 3.96Å; E60-R202 PolarHBondContact OE1-NH2 3.35Å; V65-R202 HydrophobicContact CG1-CB 4.01Å; E66-R202 WeakPolarHBondContact O-CA 3.11Å; V67-R202 HydrophobicContact CG2-CG 4.04Å; V200-R202 HydrophobicContact CG1-CG 4.24Å
203T85Confident73.5Confident67 Ų6773.8 Ų73.841%0.41144%0.441SS..EExtended strand (participates in β ladder)trans-134.1123.7179.642.50000109.9E66E66-T203 PolarHBondContact N-O 2.7Å; E66-T203 PolarHBondContact O-N 2.85Å; E66-T203 PolarHBondContact O-OG1 3.5Å
204P84.7Confident70.7Confident74 Ų7480.9 Ų80.948%0.48148%0.476SS..EExtended strand (participates in β ladder)trans-56.3140.8175.4-25.134.7000111.9Y230P204-Y230 HydrophobicContact CG-CD1 4.5Å
205L82.4Confident68.5Low41 Ų4182.9 Ų82.922%0.21550%0.497CS..PPolyproline II helixtrans-69.6128.8178.7-72.2173.4000111R61 G64 E66 G207 V208R61-L205 HydrophobicContact CG-CD1 3.96Å; G64-L205 WeakPolarHBondContact O-CB 3.38Å; G64-L205 WeakPolarHBondContact O-CG 3.33Å; G64-L205 PolarHBondContact O-N 3.34Å; E66-L205 HydrophobicContact CB-CD2 3.92Å; L205-G207 PolarHBondContact O-N 3.04Å; L205-V208 HydrophobicContact CB-CB 4.48Å; L205-V208 HydrophobicContact CB-CG2 3.91Å; L205-V208 PolarHBondContact O-N 3.29Å; L205-V208 VanDerWaalsContact O-N 3.12Å
206P72.8Confident65.9Low130 Ų13085.1 Ų85.184%0.84450%0.501SS*.THydrogen-bonded Turntrans-56.4128.6174.4-25.334.5000111.7
207G60.7Low63.7Low80 Ų8088.1 Ų88.183%0.82552%0.52SS*.THydrogen-bonded Turntrans92.7-11.9-178.900000115.1L205 I209L205-G207 PolarHBondContact O-N 3.04Å; G207-I209 PolarHBondContact O-N 2.83Å
208V49.5Very low61.4Low68 Ų6890.1 Ų90.141%0.41253%0.53SS..  trans-8695.4167-175.80000108.3L205 L210L205-V208 HydrophobicContact CB-CB 4.48Å; L205-V208 HydrophobicContact CB-CG2 3.91Å; L205-V208 PolarHBondContact O-N 3.29Å; L205-V208 VanDerWaalsContact O-N 3.12Å; V208-L210 HydrophobicContact CG1-CD2 4.49Å; V208-L210 PolarHBondContact O-N 3.25Å
209I42.8Very low59.5Low144 Ų14491.2 Ų91.274%0.73854%0.543SS*.  trans-69.7114.5165-45.8179.7000106.3G207 A211G207-I209 PolarHBondContact O-N 2.83Å; I209-A211 HydrophobicContact CB-CB 4.37Å; I209-A211 HydrophobicContact CG2-CB 3.56Å; I209-A211 PolarHBondContact O-N 3.48Å
210L48.9Very low57.6Low114 Ų11496.9 Ų96.960%0.59758%0.578SS**  trans-73.149.7164.4-71.5172.8000110.4V208 Y230V208-L210 HydrophobicContact CG1-CD2 4.49Å; V208-L210 PolarHBondContact O-N 3.25Å; L210-Y230 HydrophobicContact CD1-CD2 4.05Å; L210-Y230 HydrophobicContact CD1-CE2 4.06Å
211A37.6Very low55.5Low64 Ų64100.8 Ų100.853%0.52960%0.597SS.*  trans-93.2120162.800000106.1I209I209-A211 HydrophobicContact CB-CB 4.37Å; I209-A211 HydrophobicContact CG2-CB 3.56Å; I209-A211 PolarHBondContact O-N 3.48Å
212R44.1Very low53.8Low113 Ų113102.9 Ų102.943%0.42661%0.614SS.*  trans-45.8131.8156.5-174.1-174.5-129.2161.97.9107.2E214 Q218 D223R212-E214 PolarHBondContact O-N 3.25Å; R212-E214 VanDerWaalsContact O-N 3.08Å; R212-Q218 VanDerWaalsContact NH1-CD 3.25Å; R212-D223 IonicContact NH2-OD2 3.21Å; R212-D223 PolarHBondContact NH2-OD2 2.88Å
213P37.1Very low52.2Low83 Ų83104.8 Ų104.854%0.53963%0.63SS.*  trans-52.9121.6171.1-23.533.3000108.6G215 E216P213-G215 VanDerWaalsContact C-N 3.3Å; P213-G215 PolarHBondContact O-N 3.49Å; P213-E216 PolarHBondContact O-N 2.89Å
214E35.8Very low50.4Low210 Ų210111.2 Ų111.298%0.98165%0.653SS**THydrogen-bonded Turntrans-64.894.8174.3-78.1-168.8134.300108.2R212R212-E214 PolarHBondContact O-N 3.25Å; R212-E214 VanDerWaalsContact O-N 3.08Å
215G45.3Very low48.8Very low73 Ų73113 Ų11375%0.75366%0.664SS**THydrogen-bonded Turntrans154.9-16.1-177.700000116.7P213P213-G215 VanDerWaalsContact C-N 3.3Å; P213-G215 PolarHBondContact O-N 3.49Å
216E36.3Very low47.2Very low131 Ų131114.1 Ų114.161%0.61267%0.666SS**PPolyproline II helixtrans-82.3126.8177.3-72.6-170150.300112.4P213P213-E216 PolarHBondContact O-N 2.89Å
217P42.7Very low46.3Very low119 Ų119113.1 Ų113.177%0.77366%0.659SS**PPolyproline II helixtrans-62.4139.2171.7-19.331.8000111G219P217-G219 PolarHBondContact O-N 2.97Å; P217-G219 VanDerWaalsContact O-N 3.15Å
218Q39.7Very low46Very low134 Ų134115.3 Ų115.363%0.62664%0.644SS**PPolyproline II helixtrans-56.2120.3167.1-67.9-94.721.800108.7R212R212-Q218 VanDerWaalsContact NH1-CD 3.25Å
219G52.5Low45.9Very low46 Ų46120.9 Ų120.947%0.47467%0.665SS.*PPolyproline II helixtrans-63.3161.2170.300000111.3P217 L221P217-G219 PolarHBondContact O-N 2.97Å; P217-G219 VanDerWaalsContact O-N 3.15Å; G219-L221 PolarHBondContact O-N 3.49Å; G219-L221 VanDerWaalsContact O-N 3.14Å
220P49.9Very low46.2Very low140 Ų140117.8 Ų117.891%0.90965%0.645SS**SBendtrans-70.3-5.3179.229.7-35.8000113.9
221L47.1Very low45.9Very low140 Ų140117.3 Ų117.373%0.73365%0.649SS**SBendtrans-106.4135.5172.2-62.5176.6000109G219G219-L221 PolarHBondContact O-N 3.49Å; G219-L221 VanDerWaalsContact O-N 3.14Å
222P49.4Very low45.8Very low112 Ų112118.9 Ų118.973%0.72766%0.661SS**PPolyproline II helixtrans-62139.1171.527.3-33.4000109.8F224P222-F224 PolarHBondContact O-N 3.3Å; P222-F224 VanDerWaalsContact O-N 3.17Å
223D52.4Low45.4Very low117 Ų117119.8 Ų119.863%0.62668%0.68SS**PPolyproline II helixtrans-50.2124.1171.1-70.6-47.5000109R212 P225R212-D223 IonicContact NH2-OD2 3.21Å; R212-D223 PolarHBondContact NH2-OD2 2.88Å; D223-P225 WeakPolarHBondContact O-CD 3.31Å
224F46.2Very low45.4Very low202 Ų202120.9 Ų120.989%0.88669%0.687SS**PPolyproline II helixtrans-54.7119.4-177.8-132.2-83.8000108P222 Y226P222-F224 PolarHBondContact O-N 3.3Å; P222-F224 VanDerWaalsContact O-N 3.17Å; F224-Y226 PolarHBondContact O-N 2.93Å
225P52.6Low45.3Very low111 Ų111113.5 Ų113.572%0.72167%0.667SS**  trans-66.1103-166.723.6-33.4000109.4D223D223-P225 WeakPolarHBondContact O-CD 3.31Å
226Y48.8Very low44.8Very low66 Ų66116.5 Ų116.526%0.25967%0.673SS.*  trans-56.9123.4172.5177.3-100.6000107.1E60 F224 Y228 Y230E60-Y226 PolarHBondContact OE2-OH 3.31Å; F224-Y226 PolarHBondContact O-N 2.93Å; Y226-Y228 VanDerWaalsContact CD1-O 3.23Å; Y226-Y228 WeakPolarHBondContact CD1-O 3.24Å; Y226-Y228 WeakPolarHBondContact CE1-O 3.44Å; Y226-Y228 PolarHBondContact O-N 2.83Å; Y226-Y230 HydrophobicContact CE1-CE2 4.01Å; Y226-Y230 AromaticContact CE1-CZ 4Å; Y226-Y230 WeakPolarHBondContact CE1-OH 3.49Å; Y226-Y230 PolarHBondContact OH-OH 2.98Å; Y226-Y230 VanDerWaalsContact OH-OH 3.11Å
227P53Low44.6Very low108 Ų108121.8 Ų121.870%0.70169%0.688SS**SBendtrans-67.3-1.2-160.322.4-33.4000114.9
228Y53.4Low44Very low126 Ų126120 Ų12049%0.49468%0.683SS.*  trans-128.894.9175.9-62.9-85.5000110.3Y226 Y230Y226-Y228 VanDerWaalsContact CD1-O 3.23Å; Y226-Y228 WeakPolarHBondContact CD1-O 3.24Å; Y226-Y228 WeakPolarHBondContact CE1-O 3.44Å; Y226-Y228 PolarHBondContact O-N 2.83Å; Y228-Y230 PolarHBondContact O-N 2.6Å
229Q49.4Very low44Very low185 Ų185119 Ų11986%0.86469%0.688SS**  trans-61.4122156-70.1-179.3-1.700107.5P231Q229-P231 WeakPolarHBondContact O-CD 3.47Å; Q229-P231 VanDerWaalsContact O-N 3.13Å
230Y47.7Very low43Very low80 Ų80121.3 Ų121.331%0.31470%0.697SS.*  trans-63.4113.8174.2-67.7-76.7000108.4V65 P204 L210 Y226 Y228 A232V65-Y230 WeakPolarHBondContact CG2-OH 3.4Å; P204-Y230 HydrophobicContact CG-CD1 4.5Å; L210-Y230 HydrophobicContact CD1-CD2 4.05Å; L210-Y230 HydrophobicContact CD1-CE2 4.06Å; Y226-Y230 HydrophobicContact CE1-CE2 4.01Å; Y226-Y230 AromaticContact CE1-CZ 4Å; Y226-Y230 WeakPolarHBondContact CE1-OH 3.49Å; Y226-Y230 PolarHBondContact OH-OH 2.98Å; Y226-Y230 VanDerWaalsContact OH-OH 3.11Å; Y228-Y230 PolarHBondContact O-N 2.6Å; Y230-A232 PolarHBondContact O-N 3.21Å
231P42.5Very low42.2Very low104 Ų104120 Ų12068%0.67569%0.689SS**  trans-61.3130.3171.926.7-32.5000107.4Q229 T233Q229-P231 WeakPolarHBondContact O-CD 3.47Å; Q229-P231 VanDerWaalsContact O-N 3.13Å; P231-T233 PolarHBondContact O-N 2.86Å
232A36.9Very low42.1Very low96 Ų96119.4 Ų119.479%0.79369%0.693SS**  trans-49.2130.1171.100000108.5Y230 P234Y230-A232 PolarHBondContact O-N 3.21Å; A232-P234 WeakPolarHBondContact O-CD 3.49Å
233T34.4Very low41.6Very low132 Ų132123.2 Ų123.281%0.8170%0.701SS**  trans-41.6113.9-170.3-46.30000110.2P231 G235P231-T233 PolarHBondContact O-N 2.86Å; T233-G235 PolarHBondContact O-N 3.16Å
234P36.5Very low40.8Very low107 Ų107121.6 Ų121.670%0.69570%0.704SS**  trans-57.4110.8179.4-26.134.8000108.4A232A232-P234 WeakPolarHBondContact O-CD 3.49Å
235G34.9Very low40.6Very low55 Ų55117 Ų11757%0.56770%0.704SS**  trans-53.4143.1178.500000109.2T233 R237T233-G235 PolarHBondContact O-N 3.16Å; G235-R237 PolarHBondContact O-N 2.72Å
236P33.6Very low40.2Very low136 Ų136119.2 Ų119.288%0.88371%0.709SS**  trans-54.2101.7-171.520.3-32.7000110.5A238P236-A238 PolarHBondContact O-N 2.93Å; P236-A238 VanDerWaalsContact O-N 3.12Å
237R32.6Very low40.2Very low241 Ų241124.6 Ų124.691%0.90974%0.736SS**  trans-72.5112-176.3-162.6175.7-168.9178.73.7106.8G235G235-R237 PolarHBondContact O-N 2.72Å
238A30Very low40.6Very low83 Ų83122.9 Ų122.969%0.68673%0.725SS**PPolyproline II helixtrans-47.8132.4-176.700000110.5P236 S240P236-A238 PolarHBondContact O-N 2.93Å; P236-A238 VanDerWaalsContact O-N 3.12Å; A238-S240 PolarHBondContact O-N 2.83Å
239P39.7Very low41.9Very low112 Ų112120.6 Ų120.673%0.72773%0.732SS**PPolyproline II helixtrans-60.5128.4175.325.5-32.5000108.8
240S32.8Very low43.7Very low94 Ų94113.6 Ų113.666%0.65770%0.702SS**PPolyproline II helixtrans-58.1141.7164.746.50000108.9A238A238-S240 PolarHBondContact O-N 2.83Å
241P32.7Very low45.9Very low114 Ų114111.5 Ų111.574%0.7470%0.698SS**PPolyproline II helixtrans-53.3143.6177.4-25.534.1000111.4E243P241-E243 PolarHBondContact O-N 2.82Å; P241-E243 VanDerWaalsContact O-N 3.15Å
242P44.1Very low48.3Very low126 Ų126112.4 Ų112.482%0.81869%0.693SS**PPolyproline II helixtrans-63.1118.117426.4-32.8000109.1A244P242-A244 PolarHBondContact O-N 2.86Å
243E39Very low51.1Low192 Ų192108 Ų10890%0.89766%0.656SS**PPolyproline II helixtrans-64.6122.2172.1-169.4167.4174.700108.3P241 A245P241-E243 PolarHBondContact O-N 2.82Å; P241-E243 VanDerWaalsContact O-N 3.15Å; E243-A245 PolarHBondContact O-N 3.5Å
244A36.1Very low54Low84 Ų84109 Ų10969%0.69465%0.645SS**PPolyproline II helixtrans-58.1126.9-167.500000111.1P242 L246P242-A244 PolarHBondContact O-N 2.86Å; A244-L246 PolarHBondContact O-N 3.15Å
245A42.5Very low56.8Low106 Ų106108.5 Ų108.588%0.87663%0.63SS**  trans-72.173.7-175.900000112.2E243 Q247E243-A245 PolarHBondContact O-N 3.5Å; A245-Q247 PolarHBondContact O-N 3.02Å
246L44.1Very low59.7Low156 Ų156108.5 Ų108.582%0.81762%0.622SS**  trans-55.7136.1155.8-71.2171.5000108A244A244-L246 PolarHBondContact O-N 3.15Å
247Q48.4Very low62.8Low180 Ų180104.5 Ų104.584%0.84160%0.595SS**  trans-45.9120.3172.8-71.6-69.3-15.100108.2A245 A249A245-Q247 PolarHBondContact O-N 3.02Å; Q247-A249 PolarHBondContact O-N 2.81Å
248P60.7Low65.8Low72 Ų7296.8 Ų96.847%0.46857%0.574SS.*PPolyproline II helixtrans-56.9139.7-165.720.7-32.5000109R183R183-P248 HydrophobicContact CB-CB 4.31Å; R183-P248 HydrophobicContact CB-CG 4.36Å; R183-P248 HydrophobicContact CG-CG 4.29Å; R183-P248 PolarHBondContact NH1-O 3.43Å
249A80.4Confident68.9Low77 Ų7797.7 Ų97.764%0.63656%0.564SS**PPolyproline II helixtrans-66.5159.8170.700000110.2R183 Q247 T251R183-A249 VanDerWaalsContact CD-O 3.22Å; R183-A249 WeakPolarHBondContact CD-O 3.23Å; R183-A249 PolarHBondContact NH1-O 2.89Å; R183-A249 VanDerWaalsContact NH1-O 3.13Å; Q247-A249 PolarHBondContact O-N 2.81Å; A249-T251 PolarHBondContact O-N 3.01Å
250P88.1Confident71.3Confident38 Ų3898.4 Ų98.425%0.24755%0.552CS.*PPolyproline II helixtrans-59.5139.5175.3-2535.7000109.5E252 R317P250-E252 PolarHBondContact O-N 3.06Å; P250-E252 VanDerWaalsContact O-N 3.17Å; P250-R317 HydrophobicContact CB-CB 3.68Å; P250-R317 HydrophobicContact CG-CB 4.36Å
251T93.1Very high73.8Confident36 Ų3697.6 Ų97.622%0.22154%0.538CS..BIsolated β-bridgetrans-67.2122.8-172.5-56.40000109.1D181 N184 A249 P253 D315 Y316 R317D181-T251 PolarHBondContact OD1-OG1 3.43Å; D181-T251 WeakPolarHBondContact OD2-CG2 3.38Å; N184-T251 PolarHBondContact ND2-OG1 2.83Å; A249-T251 PolarHBondContact O-N 3.01Å; T251-P253 WeakPolarHBondContact O-CD 3.42Å; T251-D315 PolarHBondContact N-O 3.41Å; T251-Y316 HydrophobicContact CG2-CD1 4.23Å; T251-Y316 HydrophobicContact CG2-CE1 4.09Å; T251-Y316 VanDerWaalsContact O-CA 3.28Å; T251-Y316 WeakPolarHBondContact O-CA 3.5Å; T251-Y316 WeakPolarHBondContact O-CD1 3.32Å; T251-R317 PolarHBondContact O-N 2.86Å; T251-R317 VanDerWaalsContact O-N 3.15Å
252E94.1Very high76.1Confident123 Ų12399.6 Ų99.658%0.57554%0.537SS*.PPolyproline II helixtrans-76.7119.4174.9-171.9170.1-169.800109.4P250 R317 L318P250-E252 PolarHBondContact O-N 3.06Å; P250-E252 VanDerWaalsContact O-N 3.17Å; E252-R317 WeakPolarHBondContact CA-O 3.29Å; E252-L318 HydrophobicContact CG-CD1 3.96Å; E252-L318 WeakPolarHBondContact OE1-CD1 3.41Å
253P94.9Very high77.7Confident3 Ų397.6 Ų97.62%0.01952%0.523CS..PPolyproline II helixtrans-75.1139.9179.831.6-33.9000110.4T251 I287 E288 L289 L309 R317 L318T251-P253 WeakPolarHBondContact O-CD 3.42Å; P253-I287 HydrophobicContact CB-CG2 3.75Å; P253-I287 HydrophobicContact CG-CG2 3.71Å; P253-E288 WeakPolarHBondContact CB-O 3.32Å; P253-L289 HydrophobicContact CB-CD2 3.67Å; P253-L289 HydrophobicContact CG-CD2 4.12Å; P253-L309 HydrophobicContact CG-CD2 4.4Å; P253-R317 WeakPolarHBondContact CD-O 3.38Å; P253-L318 HydrophobicContact CG-CB 3.99Å
254R95Very high79.6Confident153 Ų15391.6 Ų91.658%0.57750%0.497SS*.PPolyproline II helixtrans-63.4138.3175.4-176.7177176.4177.7-1.1109.8E288R254-E288 HydrophobicContact CB-CB 4.31Å; R254-E288 HydrophobicContact CB-CG 4.34Å; R254-E288 WeakPolarHBondContact O-CB 3.44Å; R254-E288 PolarHBondContact O-N 3.29Å
255Y96.1Very high81.7Confident97 Ų9794.8 Ų94.838%0.3850%0.501SS..EExtended strand (participates in β ladder)trans-139.4167.9179.567.3-88.7000112.5V257 T286 L318 L320Y255-V257 HydrophobicContact CD2-CG2 4.16Å; Y255-V257 HydrophobicContact CE2-CG2 4.26Å; Y255-T286 CarbonylContact C-O 3.52Å; Y255-T286 WeakPolarHBondContact CA-O 3.35Å; Y255-T286 WeakPolarHBondContact CB-O 3.5Å; Y255-L318 HydrophobicContact CD1-CD1 3.53Å; Y255-L318 HydrophobicContact CD1-CD2 4Å; Y255-L318 HydrophobicContact CD1-CG 4.43Å; Y255-L318 HydrophobicContact CE1-CD1 3.58Å; Y255-L318 HydrophobicContact CG-CD1 4.47Å; Y255-L318 HydrophobicContact CG-CD2 4.2Å; Y255-L320 HydrophobicContact CD2-CD1 4.28Å; Y255-L320 HydrophobicContact CD2-CD2 3.97Å; Y255-L320 HydrophobicContact CE2-CD1 3.48Å; Y255-L320 VanDerWaalsContact CE2-CD1 3.48Å; Y255-L320 HydrophobicContact CE2-CD2 4.03Å; Y255-L320 HydrophobicContact CE2-CG 4.36Å
256S96.7Very high83.6Confident55 Ų5594 Ų9439%0.38548%0.479SS..EExtended strand (participates in β ladder)trans-137.9152.7166.665.10000110.2V285 T286S256-V285 CarbonylContact O-C 3.44Å; S256-V285 WeakPolarHBondContact O-CA 3.11Å; S256-T286 PolarHBondContact N-O 3.05Å; S256-T286 PolarHBondContact O-N 3.06Å
257V96.8Very high85.2Confident52 Ų5289.4 Ų89.432%0.31546%0.456SS..EExtended strand (participates in β ladder)trans-124.1113.5175.4-175.80000107.9Y255 L283 V285 L320Y255-V257 HydrophobicContact CD2-CG2 4.16Å; Y255-V257 HydrophobicContact CE2-CG2 4.26Å; V257-L283 HydrophobicContact CG1-CD2 4.38Å; V257-V285 HydrophobicContact CG1-CG2 4.36Å; V257-V285 HydrophobicContact CG2-CG1 4.38Å; V257-V285 HydrophobicContact CG2-CG2 4.25Å; V257-L320 HydrophobicContact CG2-CD1 4.46Å; V257-L320 HydrophobicContact CG2-CD2 3.83Å
258V96.6Very high86.7Confident80 Ų8087.8 Ų87.849%0.48544%0.443SS..EExtended strand (participates in β ladder)trans-105.1129.3178.4-178.90000108.9V284V258-V284 HydrophobicContact CB-CB 4.4Å; V258-V284 PolarHBondContact N-O 3.24Å; V258-V284 PolarHBondContact O-N 2.91Å
259Q94.1Very high87.8Confident102 Ų10290.9 Ų90.948%0.47745%0.445SS..EExtended strand (participates in β ladder)trans-84.1131.7173.1-59.8-174.317.900109P280 L283Q259-P280 HydrophobicContact CB-CB 3.97Å; Q259-P280 HydrophobicContact CB-CG 4.11Å; Q259-P280 HydrophobicContact CG-CG 4.19Å; Q259-L283 HydrophobicContact CB-CD2 4.5Å; Q259-L283 HydrophobicContact CG-CD2 3.92Å
260R91Very high87.6Confident126 Ų12694.2 Ų94.248%0.47546%0.463SS..EExtended strand (participates in β ladder)trans-120.9127.3-177.5-172.1161.383.5158.37.9111.3H281 E282 V284R260-H281 PolarHBondContact O-N 2.92Å; R260-H281 VanDerWaalsContact O-N 3.11Å; R260-E282 HydrophobicContact CB-CB 4.37Å; R260-E282 IonicContact CZ-OE2 2.78Å; R260-E282 PolarHBondContact N-O 3.48Å; R260-E282 IonicContact NE-OE2 2.67Å; R260-E282 PolarHBondContact NE-OE2 3.22Å; R260-E282 IonicContact NH2-OE1 2.73Å; R260-E282 IonicContact NH2-OE2 3.23Å; R260-E282 PolarHBondContact NH2-OE2 3.22Å; R260-E282 PolarHBondContact O-N 2.84Å; R260-V284 HydrophobicContact CB-CG2 4.4Å
261H85.9Confident87.2Confident77 Ų7794.8 Ų94.836%0.35647%0.467SS..  trans-110.5149.6166.2-75.2-89.2000109.7S277 V279 P280 H281H261-S277 PolarHBondContact CE1-O 3.09Å; H261-V279 PolarHBondContact CE1-O 3.42Å; H261-V279 VanDerWaalsContact CE1-O 3.23Å; H261-P280 WeakPolarHBondContact CE1-CA 3.31Å; H261-P280 WeakPolarHBondContact NE2-CA 3.41Å; H261-H281 AromaticContact ND1-CD2 3.64Å
262H80.5Confident86.3Confident156 Ų156105.2 Ų105.272%0.72250%0.503SS*.  trans-87.3137154.1-165.961.3000106.7
263V77.8Confident85.4Confident85 Ų85105.9 Ų105.952%0.51551%0.51SS..  trans-116.4113-177.2163.10000106.7Y268V263-Y268 HydrophobicContact CG1-CD2 4.41Å; V263-Y268 HydrophobicContact CG1-CE2 3.76Å
264D78.2Confident84.1Confident65 Ų65106.9 Ų106.935%0.34852%0.517SS..  trans-93.8140.8163.3-167-13.8000108.5Q266 D267 Y268D264-Q266 HydrophobicContact CB-CB 4.41Å; D264-Q266 PolarHBondContact O-N 3.38Å; D264-Q266 VanDerWaalsContact O-N 3.13Å; D264-Q266 WeakPolarHBondContact OD1-CG 3.22Å; D264-Q266 PolarHBondContact OD1-N 3.46Å; D264-Q266 VanDerWaalsContact OD1-N 3.13Å; D264-Q266 WeakPolarHBondContact OD2-CG 3.48Å; D264-Q266 PolarHBondContact OD2-NE2 2.86Å; D264-D267 PolarHBondContact N-OD2 3.33Å; D264-D267 VanDerWaalsContact N-OD2 3.12Å; D264-D267 WeakPolarHBondContact O-CB 3.24Å; D264-D267 PolarHBondContact O-N 3.11Å; D264-Y268 WeakPolarHBondContact O-CD2 3.46Å
265L81.8Confident82.8Confident151 Ų151103.3 Ų103.379%0.79152%0.521SS*.G310 helixtrans-59.3-21.2171.1-66.5171.6000111.7D267 Y268L265-D267 VanDerWaalsContact C-N 3.31Å; L265-Y268 PolarHBondContact O-N 3.28Å
266Q82.3Confident81.6Confident89 Ų89101.9 Ų101.942%0.41652%0.523SS..G310 helixtrans-67.3-27.7173.6-56.1-167.173.700113.5D264 Y268 R269 S274D264-Q266 HydrophobicContact CB-CB 4.41Å; D264-Q266 PolarHBondContact O-N 3.38Å; D264-Q266 VanDerWaalsContact O-N 3.13Å; D264-Q266 WeakPolarHBondContact OD1-CG 3.22Å; D264-Q266 PolarHBondContact OD1-N 3.46Å; D264-Q266 VanDerWaalsContact OD1-N 3.13Å; D264-Q266 WeakPolarHBondContact OD2-CG 3.48Å; D264-Q266 PolarHBondContact OD2-NE2 2.86Å; Q266-Y268 PolarHBondContact O-N 3.33Å; Q266-R269 VanDerWaalsContact CD-NH2 3.33Å; Q266-R269 VanDerWaalsContact CG-NH2 3.29Å; Q266-S274 PolarHBondContact O-OG 2.86Å
267D76.6Confident80.5Confident61 Ų61101.3 Ų101.333%0.32652%0.519SS..G310 helixtrans-71.2-14.2-179.5-58.1-36.9000112.5D264 L265 S274D264-D267 PolarHBondContact N-OD2 3.33Å; D264-D267 VanDerWaalsContact N-OD2 3.12Å; D264-D267 WeakPolarHBondContact O-CB 3.24Å; D264-D267 PolarHBondContact O-N 3.11Å; L265-D267 VanDerWaalsContact C-N 3.31Å; D267-S274 WeakPolarHBondContact O-CB 3.27Å
268Y79.6Confident79.7Confident145 Ų145104.5 Ų104.557%0.56954%0.541SS*.G310 helixtrans-111.216.1-174.7-66.1-95.8000113.4V263 D264 L265 Q266V263-Y268 HydrophobicContact CG1-CD2 4.41Å; V263-Y268 HydrophobicContact CG1-CE2 3.76Å; D264-Y268 WeakPolarHBondContact O-CD2 3.46Å; L265-Y268 PolarHBondContact O-N 3.28Å; Q266-Y268 PolarHBondContact O-N 3.33Å
269R84.8Confident79.3Confident137 Ų137102.1 Ų102.152%0.51753%0.527SS..SBendtrans-71.7152.3169.4-61172.8179.8149.2-2.2110.1Q266 S271 S274Q266-R269 VanDerWaalsContact CD-NH2 3.33Å; Q266-R269 VanDerWaalsContact CG-NH2 3.29Å; R269-S271 PolarHBondContact O-N 2.9Å; R269-S274 WeakPolarHBondContact O-CB 3.38Å
270C76.7Confident79.1Confident148 Ų14897.3 Ų97.3100%150%0.504SS*.SBendtrans-7858.1173-600000111.9
271S78.3Confident79.1Confident49 Ų4996 Ų9634%0.34350%0.503SS..SBendtrans-127158.2177.764.90000111.9R269 D273 S274R269-S271 PolarHBondContact O-N 2.9Å; S271-D273 WeakPolarHBondContact CB-OD1 3.25Å; S271-D273 PolarHBondContact O-N 2.85Å; S271-D273 PolarHBondContact OG-OD1 3.03Å; S271-S274 PolarHBondContact O-N 2.92Å; S271-S274 VanDerWaalsContact O-N 3.15Å; S271-S274 PolarHBondContact OG-OG 2.85Å; S271-S274 VanDerWaalsContact OG-OG 3.12Å
272R74.8Confident79.5Confident256 Ų25694.8 Ų94.897%0.96650%0.497SS*.THydrogen-bonded Turntrans-71.5-15.9-170.1-160.6178.770.7177.71.6113.8
273D75.2Confident80.2Confident136 Ų13687.3 Ų87.373%0.72746%0.463SS*.THydrogen-bonded Turntrans-94.3-19.2174.954.8-24.9000113.2S271 A275S271-D273 WeakPolarHBondContact CB-OD1 3.25Å; S271-D273 PolarHBondContact O-N 2.85Å; S271-D273 PolarHBondContact OG-OD1 3.03Å; D273-A275 PolarHBondContact O-N 3.16Å; D273-A275 VanDerWaalsContact O-N 3.11Å
274S68.3Low81.1Confident24 Ų2484.4 Ų84.417%0.16845%0.445CS..  trans-82.681.9173.8-72.40000110.8Q266 D267 R269 S271Q266-S274 PolarHBondContact O-OG 2.86Å; D267-S274 WeakPolarHBondContact O-CB 3.27Å; R269-S274 WeakPolarHBondContact O-CB 3.38Å; S271-S274 PolarHBondContact O-N 2.92Å; S271-S274 VanDerWaalsContact O-N 3.15Å; S271-S274 PolarHBondContact OG-OG 2.85Å; S271-S274 VanDerWaalsContact OG-OG 3.12Å
275A66.6Low82Confident79 Ų7981.3 Ų81.365%0.65343%0.429SS*.  trans-132.4103.117100000109.5D273 S277D273-A275 PolarHBondContact O-N 3.16Å; D273-A275 VanDerWaalsContact O-N 3.11Å; A275-S277 PolarHBondContact O-N 3.13Å
276P70.4Confident82.7Confident66 Ų6675.1 Ų75.143%0.42940%0.397SS..  trans-61.5135.2178.523.7-31.9000110.4
277S74.5Confident83.4Confident44 Ų4470.9 Ų70.931%0.30838%0.378SS..  trans-55.8132.9-178.9168.60000111.1H261 A275 V279H261-S277 PolarHBondContact CE1-O 3.09Å; A275-S277 PolarHBondContact O-N 3.13Å; S277-V279 PolarHBondContact O-N 2.81Å; S277-V279 PolarHBondContact OG-N 3.36Å; S277-V279 PolarHBondContact OG-O 3.12Å
278P80.6Confident84.3Confident118 Ų11869.5 Ų69.577%0.76637%0.369SS*.SBendtrans-74.90172.333.2-36.7000113.1
279V86.6Confident85Confident31 Ų3162.7 Ų62.719%0.18834%0.342CS..SBendtrans-108123.9176.4-178.20000108.9H261 S277 Y324 V348 L350H261-V279 PolarHBondContact CE1-O 3.42Å; H261-V279 VanDerWaalsContact CE1-O 3.23Å; S277-V279 PolarHBondContact O-N 2.81Å; S277-V279 PolarHBondContact OG-N 3.36Å; S277-V279 PolarHBondContact OG-O 3.12Å; V279-Y324 HydrophobicContact CB-CE1 4.46Å; V279-Y324 HydrophobicContact CG1-CD1 3.82Å; V279-Y324 HydrophobicContact CG1-CE1 3.98Å; V279-Y324 HydrophobicContact CG1-CG 4.44Å; V279-Y324 HydrophobicContact CG2-CE1 4.27Å; V279-V348 HydrophobicContact CG1-CG1 3.62Å; V279-L350 HydrophobicContact CB-CD2 3.83Å; V279-L350 HydrophobicContact CG1-CD2 3.77Å
280P90.5Very high85.4Confident0 Ų056.2 Ų56.20%032%0.318CS..  trans-60.6150.1177.724.4-32.8000112.1Q259 H261 L283 Y324 V348Q259-P280 HydrophobicContact CB-CB 3.97Å; Q259-P280 HydrophobicContact CB-CG 4.11Å; Q259-P280 HydrophobicContact CG-CG 4.19Å; H261-P280 WeakPolarHBondContact CE1-CA 3.31Å; H261-P280 WeakPolarHBondContact NE2-CA 3.41Å; P280-L283 HydrophobicContact CG-CD2 4.22Å; P280-Y324 VanDerWaalsContact CD-CE2 3.44Å; P280-Y324 VanDerWaalsContact CD-CZ 3.5Å; P280-Y324 HydrophobicContact CG-CD2 3.67Å; P280-Y324 HydrophobicContact CG-CE2 3.48Å; P280-Y324 VanDerWaalsContact CG-CE2 3.48Å; P280-Y324 HydrophobicContact CG-CG 4.44Å; P280-V348 HydrophobicContact CG-CG2 4.39Å; P280-V348 WeakPolarHBondContact O-CB 3.32Å; P280-V348 WeakPolarHBondContact O-CG2 3.24Å
281H90.4Very high86.2Confident98 Ų9849.6 Ų49.645%0.45427%0.273SS..SBendtrans-74.1-33.3175.2-71.2-88.7000111.6R260 H261 P347 V348R260-H281 PolarHBondContact O-N 2.92Å; R260-H281 VanDerWaalsContact O-N 3.11Å; H261-H281 AromaticContact ND1-CD2 3.64Å; H281-P347 WeakPolarHBondContact O-CA 3.26Å; H281-V348 PolarHBondContact O-N 2.88Å
282E94.3Very high86.8Confident52 Ų5247.3 Ų47.324%0.24326%0.257CS..EExtended strand (participates in β ladder)trans-146.5151.6-176.8-59.5175.715900111.6R260 T345 L346R260-E282 HydrophobicContact CB-CB 4.37Å; R260-E282 IonicContact CZ-OE2 2.78Å; R260-E282 PolarHBondContact N-O 3.48Å; R260-E282 IonicContact NE-OE2 2.67Å; R260-E282 PolarHBondContact NE-OE2 3.22Å; R260-E282 IonicContact NH2-OE1 2.73Å; R260-E282 IonicContact NH2-OE2 3.23Å; R260-E282 PolarHBondContact NH2-OE2 3.22Å; R260-E282 PolarHBondContact O-N 2.84Å; E282-T345 HydrophobicContact CB-CG2 4.38Å; E282-L346 CarbonylContact C-O 3.5Å; E282-L346 VanDerWaalsContact CA-O 3.31Å; E282-L346 WeakPolarHBondContact CA-O 3.46Å
283L95.5Very high87.4Confident0 Ų043.9 Ų43.90%024%0.244CC..EExtended strand (participates in β ladder)trans-105.8131.4165.9-60.5179.6000109.4V257 Q259 P280 L322 P323 Y324 V326 T345 L346 V348V257-L283 HydrophobicContact CG1-CD2 4.38Å; Q259-L283 HydrophobicContact CB-CD2 4.5Å; Q259-L283 HydrophobicContact CG-CD2 3.92Å; P280-L283 HydrophobicContact CG-CD2 4.22Å; L283-L322 HydrophobicContact CD1-CB 4.12Å; L283-L322 HydrophobicContact CD1-CD2 4.38Å; L283-P323 HydrophobicContact CD1-CG 4.05Å; L283-P323 HydrophobicContact CD2-CG 4.24Å; L283-Y324 HydrophobicContact CD2-CD2 4.25Å; L283-V326 HydrophobicContact CD1-CG1 3.94Å; L283-V326 HydrophobicContact CG-CG1 4.48Å; L283-T345 CarbonylContact O-C 3.56Å; L283-T345 WeakPolarHBondContact O-CA 3.45Å; L283-L346 PolarHBondContact N-O 3.23Å; L283-L346 PolarHBondContact O-N 2.86Å; L283-V348 HydrophobicContact CD1-CG2 4.48Å; L283-V348 HydrophobicContact CD2-CG2 4.46Å; L283-V348 HydrophobicContact CG-CG2 3.89Å
284V96.9Very high88Confident23 Ų2339.4 Ų39.414%0.13922%0.223CC..EExtended strand (participates in β ladder)trans-109.5102.2172.5-175.80000108.2V258 R260 V343 V344 T345V258-V284 HydrophobicContact CB-CB 4.4Å; V258-V284 PolarHBondContact N-O 3.24Å; V258-V284 PolarHBondContact O-N 2.91Å; R260-V284 HydrophobicContact CB-CG2 4.4Å; V284-V343 HydrophobicContact CG1-CG1 3.73Å; V284-V344 CarbonylContact C-O 3.54Å; V284-V344 WeakPolarHBondContact CA-O 3.45Å; V284-T345 HydrophobicContact CG2-CG2 4.3Å
285V97.4Very high88.9Confident0 Ų040.2 Ų40.20%023%0.231CC..EExtended strand (participates in β ladder)trans-91.1119.7176.3-1730000108.6S256 V257 I287 L307 L320 L322 V343 V344 L346S256-V285 CarbonylContact O-C 3.44Å; S256-V285 WeakPolarHBondContact O-CA 3.11Å; V257-V285 HydrophobicContact CG1-CG2 4.36Å; V257-V285 HydrophobicContact CG2-CG1 4.38Å; V257-V285 HydrophobicContact CG2-CG2 4.25Å; V285-I287 HydrophobicContact CG1-CD1 4.37Å; V285-I287 HydrophobicContact CG1-CG1 4.01Å; V285-L307 HydrophobicContact CB-CD1 4.34Å; V285-L307 HydrophobicContact CG1-CD1 4.29Å; V285-L307 HydrophobicContact CG2-CD1 4.22Å; V285-L320 HydrophobicContact CG1-CD2 3.73Å; V285-L320 HydrophobicContact CG2-CD2 4.43Å; V285-L322 HydrophobicContact CG2-CD2 3.94Å; V285-V343 CarbonylContact O-C 3.57Å; V285-V343 WeakPolarHBondContact O-CA 3.39Å; V285-V344 HydrophobicContact CB-CB 4.37Å; V285-V344 PolarHBondContact N-O 3.21Å; V285-V344 PolarHBondContact O-N 3.13Å; V285-L346 HydrophobicContact CG2-CD1 4.36Å
286T96.9Very high89.9Confident22 Ų2241.1 Ų41.114%0.13524%0.239CC..EExtended strand (participates in β ladder)trans-108.2127.8173.5-57.70000109.1Y255 S256 Q341 V343Y255-T286 CarbonylContact C-O 3.52Å; Y255-T286 WeakPolarHBondContact CA-O 3.35Å; Y255-T286 WeakPolarHBondContact CB-O 3.5Å; S256-T286 PolarHBondContact N-O 3.05Å; S256-T286 PolarHBondContact O-N 3.06Å; T286-Q341 HydrophobicContact CG2-CB 4.3Å; T286-Q341 HydrophobicContact CG2-CG 4.25Å; T286-V343 HydrophobicContact CG2-CG2 4.24Å
287I96.9Very high90.5Very high0 Ų042.8 Ų42.80%024%0.241CC..EExtended strand (participates in β ladder)trans-121121.5-178.4-49.6171.1000108.8P253 V285 L289 L307 L309 L318 Q341 L342P253-I287 HydrophobicContact CB-CG2 3.75Å; P253-I287 HydrophobicContact CG-CG2 3.71Å; V285-I287 HydrophobicContact CG1-CD1 4.37Å; V285-I287 HydrophobicContact CG1-CG1 4.01Å; I287-L289 HydrophobicContact CG2-CD1 4.47Å; I287-L289 HydrophobicContact CG2-CD2 3.93Å; I287-L289 HydrophobicContact CG2-CG 4.05Å; I287-L307 HydrophobicContact CD1-CD2 4.1Å; I287-L309 HydrophobicContact CD1-CD2 4.22Å; I287-L309 HydrophobicContact CG2-CD2 4.14Å; I287-L318 HydrophobicContact CD1-CD2 3.8Å; I287-L318 HydrophobicContact CG1-CD2 4.12Å; I287-L318 HydrophobicContact CG2-CD2 4.35Å; I287-Q341 WeakPolarHBondContact O-CA 3.46Å; I287-L342 HydrophobicContact CB-CB 4.43Å; I287-L342 HydrophobicContact CD1-CD2 4.46Å; I287-L342 PolarHBondContact N-O 2.96Å; I287-L342 PolarHBondContact O-N 2.96Å
288E95.7Very high91.3Very high32 Ų3241.8 Ų41.815%0.1524%0.235CC..EExtended strand (participates in β ladder)trans-78.3121177-57.5-61.9153.200110G84 P253 R254 P290 Q341G84-E288 VanDerWaalsContact O-CB 3.3Å; G84-E288 WeakPolarHBondContact O-CB 3.3Å; P253-E288 WeakPolarHBondContact CB-O 3.32Å; R254-E288 HydrophobicContact CB-CB 4.31Å; R254-E288 HydrophobicContact CB-CG 4.34Å; R254-E288 WeakPolarHBondContact O-CB 3.44Å; R254-E288 PolarHBondContact O-N 3.29Å; E288-P290 VanDerWaalsContact C-CD 3.43Å; E288-Q341 VanDerWaalsContact OE1-CD 3.3Å; E288-Q341 PolarHBondContact OE1-NE2 3.2Å; E288-Q341 WeakPolarHBondContact OE2-CG 3.39Å; E288-Q341 PolarHBondContact OE2-NE2 3.47Å
289L94.6Very high91.9Very high1 Ų138.7 Ų38.71%0.00522%0.219CC..  trans-132.356.9-175.1-61.8170.4000110.7P253 I287 L291 L292 L309 Y316 F335 R340 L342P253-L289 HydrophobicContact CB-CD2 3.67Å; P253-L289 HydrophobicContact CG-CD2 4.12Å; I287-L289 HydrophobicContact CG2-CD1 4.47Å; I287-L289 HydrophobicContact CG2-CD2 3.93Å; I287-L289 HydrophobicContact CG2-CG 4.05Å; L289-L291 PolarHBondContact O-N 3Å; L289-L292 HydrophobicContact CB-CB 4.16Å; L289-L292 HydrophobicContact CB-CD1 4.04Å; L289-L292 HydrophobicContact CD1-CD1 3.91Å; L289-L292 HydrophobicContact CD2-CD1 4.21Å; L289-L292 HydrophobicContact CG-CD1 4.28Å; L289-L292 PolarHBondContact O-N 2.96Å; L289-L309 HydrophobicContact CD1-CD2 4.07Å; L289-L309 HydrophobicContact CD2-CD2 3.84Å; L289-Y316 HydrophobicContact CB-CE2 4.37Å; L289-Y316 HydrophobicContact CD2-CD2 3.63Å; L289-Y316 HydrophobicContact CD2-CE2 3.92Å; L289-Y316 HydrophobicContact CD2-CG 4.29Å; L289-F335 HydrophobicContact CB-CE2 4.32Å; L289-F335 HydrophobicContact CD1-CE2 4.28Å; L289-R340 CarbonylContact C-O 3.35Å; L289-R340 VanDerWaalsContact C-O 3.32Å; L289-R340 WeakPolarHBondContact CA-O 3.45Å; L289-R340 PolarHBondContact N-O 2.91Å; L289-L342 HydrophobicContact CD1-CB 3.67Å; L289-L342 HydrophobicContact CD1-CD2 4.36Å
290P92.6Very high92.3Very high2 Ų239.8 Ų39.81%0.01322%0.224CC..THydrogen-bonded Turntrans-53.5-31.2-168.518.4-32.9000115.1G84 R87 E288G84-P290 WeakPolarHBondContact O-CD 3.35Å; R87-P290 WeakPolarHBondContact CD-O 3.5Å; R87-P290 HydrophobicContact CG-CB 4.18Å; R87-P290 WeakPolarHBondContact CG-O 3.39Å; E288-P290 VanDerWaalsContact C-CD 3.43Å
291L92.9Very high92.6Very high9 Ų945.6 Ų45.65%0.04725%0.251CS..THydrogen-bonded Turntrans-88.1-12.6-178.7-65.5177.4000114.6R79 T80 N184 L289 P314 Y316R79-L291 HydrophobicContact CG-CD2 4.19Å; T80-L291 WeakPolarHBondContact O-CD2 3.4Å; N184-L291 HydrophobicContact CB-CD1 3.42Å; N184-L291 VanDerWaalsContact CB-CD1 3.42Å; L289-L291 PolarHBondContact O-N 3Å; L291-P314 HydrophobicContact CB-CB 4.09Å; L291-P314 HydrophobicContact CB-CG 3.85Å; L291-P314 HydrophobicContact CD1-CB 4.49Å; L291-Y316 HydrophobicContact CB-CE2 4.47Å; L291-Y316 WeakPolarHBondContact CB-OH 3.35Å
292L91.1Very high92.8Very high1 Ų142 Ų421%0.00524%0.236CC..  trans-80.2132.7179.6-89.6168.1000112.3L289 Q297 A298 P314 Y316 F335 R340L289-L292 HydrophobicContact CB-CB 4.16Å; L289-L292 HydrophobicContact CB-CD1 4.04Å; L289-L292 HydrophobicContact CD1-CD1 3.91Å; L289-L292 HydrophobicContact CD2-CD1 4.21Å; L289-L292 HydrophobicContact CG-CD1 4.28Å; L289-L292 PolarHBondContact O-N 2.96Å; L292-Q297 HydrophobicContact CD2-CB 3.73Å; L292-A298 HydrophobicContact CD1-CB 4.11Å; L292-P314 HydrophobicContact CD2-CG 4.21Å; L292-P314 HydrophobicContact CG-CG 3.77Å; L292-Y316 HydrophobicContact CD1-CD2 4.08Å; L292-Y316 HydrophobicContact CD1-CE2 4.38Å; L292-Y316 HydrophobicContact CG-CD2 4.43Å; L292-Y316 HydrophobicContact CG-CE2 4.38Å; L292-F335 HydrophobicContact CB-CE2 4.39Å; L292-F335 HydrophobicContact CB-CZ 4.2Å; L292-R340 WeakPolarHBondContact O-CD 3.44Å; L292-R340 PolarHBondContact O-NH1 3.35Å
293R87.1Confident92.7Very high184 Ų18444.3 Ų44.369%0.69425%0.254SS*.SBendtrans-82.4-32.4177.6-74.2-172.6174.8-172.5-1.8112.9R340R293-R340 VanDerWaalsContact CA-NH1 3.31Å; R293-R340 PolarHBondContact O-NH1 2.85Å
294S88.1Confident92.4Very high42 Ų4245.9 Ų45.929%0.29427%0.27SS..SBendtrans-159.3161.1-178.252.80000109.6A296S294-A296 PolarHBondContact O-N 2.84Å
295A87.5Confident92.3Very high41 Ų4150 Ų5034%0.33929%0.286SS..G310 helixtrans-66.2-14.4175.600000114.7Q297 A298 F335A295-Q297 PolarHBondContact O-N 3.11Å; A295-A298 PolarHBondContact O-N 3.23Å; A295-A298 VanDerWaalsContact O-O 3.13Å; A295-F335 HydrophobicContact CB-CB 3.84Å; A295-F335 HydrophobicContact CB-CG 4.17Å
296A87.8Confident92.2Very high97 Ų9753.6 Ų53.680%0.80231%0.305SS*.G310 helixtrans-61.1-9.2-175.500000115.3S294S294-A296 PolarHBondContact O-N 2.84Å
297Q82.1Confident92.2Very high102 Ų10252.6 Ų52.648%0.47730%0.298SS..G310 helixtrans-106.9-0.7177.7-68.5173.9-31.900112.9L292 A295 S311 K313L292-Q297 HydrophobicContact CD2-CB 3.73Å; A295-Q297 PolarHBondContact O-N 3.11Å; Q297-S311 VanDerWaalsContact O-CA 3.32Å; Q297-S311 WeakPolarHBondContact O-CA 3.3Å; Q297-S311 WeakPolarHBondContact O-CB 3.48Å; Q297-S311 PolarHBondContact O-OG 2.93Å; Q297-K313 PolarHBondContact OE1-O 3.36Å
298A91.6Very high92.2Very high23 Ų2353.2 Ų53.219%0.1930%0.303CS..EExtended strand (participates in β ladder)trans-115.7125.3179.200000110.6L292 A295 L309 D310L292-A298 HydrophobicContact CD1-CB 4.11Å; A295-A298 PolarHBondContact O-N 3.23Å; A295-A298 VanDerWaalsContact O-O 3.13Å; A298-L309 HydrophobicContact CB-CD1 4.12Å; A298-D310 CarbonylContact C-O 3.57Å; A298-D310 VanDerWaalsContact CA-O 3.29Å; A298-D310 WeakPolarHBondContact CA-O 3.32Å
299A93.9Very high92.3Very high52 Ų5251.7 Ų51.743%0.4330%0.296SS..EExtended strand (participates in β ladder)trans-88127.8166.400000108.4L309 D310A299-L309 WeakPolarHBondContact O-CA 3.32Å; A299-D310 PolarHBondContact N-O 3.47Å; A299-D310 PolarHBondContact O-N 2.9Å
300L95.3Very high92.3Very high54 Ų5453.6 Ų53.628%0.28331%0.306SS..EExtended strand (participates in β ladder)trans-116.6122.8174.5176.673.2000107.8L307 C308 L309 A333 L342 V344L300-L307 HydrophobicContact CD1-CD1 4.18Å; L300-L307 HydrophobicContact CD1-CD2 4Å; L300-L307 HydrophobicContact CD1-CG 3.95Å; L300-C308 WeakPolarHBondContact CA-O 3.49Å; L300-L309 HydrophobicContact CB-CD1 4.04Å; L300-L309 HydrophobicContact CD1-CD1 3.96Å; L300-A333 HydrophobicContact CD2-CB 3.78Å; L300-L342 HydrophobicContact CD2-CD2 4.46Å; L300-V344 HydrophobicContact CD1-CG2 4.34Å; L300-V344 HydrophobicContact CD2-CG1 3.99Å; L300-V344 HydrophobicContact CD2-CG2 3.71Å
301E95.3Very high92.4Very high123 Ų12353.8 Ų53.858%0.57531%0.307SS*.EExtended strand (participates in β ladder)trans-122.9138.2175.5-67.6171.6-177.300108.5C308E301-C308 HydrophobicContact CB-CB 4.21Å; E301-C308 PolarHBondContact N-O 2.75Å; E301-C308 PolarHBondContact O-N 3.11Å
302V95.3Very high92.1Very high22 Ų2263.9 Ų63.913%0.13334%0.344CS..EExtended strand (participates in β ladder)trans-131.8132.7176.5-177.60000107.5L306 L307 L322 V326 D328 L346V302-L306 CarbonylContact C-O 3.59Å; V302-L306 WeakPolarHBondContact CA-O 3.47Å; V302-L307 HydrophobicContact CG2-CB 4.43Å; V302-L307 HydrophobicContact CG2-CD1 4.12Å; V302-L307 HydrophobicContact CG2-CG 4.12Å; V302-L322 HydrophobicContact CG1-CD1 4.49Å; V302-V326 HydrophobicContact CG1-CG2 3.63Å; V302-D328 HydrophobicContact CB-CB 4.28Å; V302-D328 HydrophobicContact CG1-CB 4.26Å; V302-L346 HydrophobicContact CG1-CD1 4.15Å; V302-L346 HydrophobicContact CG1-CD2 4.18Å; V302-L346 HydrophobicContact CG2-CD1 4.42Å; V302-L346 HydrophobicContact CG2-CD2 4.22Å
303T92Very high91.9Very high100 Ų10071 Ų7161%0.61338%0.375SS*.EExtended strand (participates in β ladder)trans-149.4105.7-177.4-52.60000110K305 L306T303-K305 PolarHBondContact O-N 3.49Å; T303-L306 PolarHBondContact N-O 2.79Å; T303-L306 PolarHBondContact O-N 2.86Å
304G89.8Confident92.1Very high33 Ų3362.4 Ų62.434%0.3434%0.343SS..THydrogen-bonded Turntrans61.8-89177.600000113.3P325 V326G304-P325 CarbonylContact O-C 3.51Å; G304-P325 WeakPolarHBondContact O-CA 3.24Å; G304-V326 WeakPolarHBondContact O-CG2 3.32Å; G304-V326 PolarHBondContact O-N 3.26Å
305K94.6Very high92.4Very high111 Ų11162.6 Ų62.648%0.48334%0.341SS..THydrogen-bonded Turntrans-115.11.7176.3-70.8-161.7176.7-151.90114.2T303 S321 L322 P323 P325T303-K305 PolarHBondContact O-N 3.49Å; K305-S321 CarbonylContact O-C 3.53Å; K305-L322 WeakPolarHBondContact O-CB 3.47Å; K305-L322 PolarHBondContact O-N 2.73Å; K305-P323 PolarHBondContact NZ-O 2.82Å; K305-P325 HydrophobicContact CG-CB 4.23Å
306L96.1Very high92.7Very high75 Ų7560.8 Ų60.839%0.39333%0.326SS..EExtended strand (participates in β ladder)trans-108.9132.5-177.1-173.864.1000110.4V302 T303V302-L306 CarbonylContact C-O 3.59Å; V302-L306 WeakPolarHBondContact CA-O 3.47Å; T303-L306 PolarHBondContact N-O 2.79Å; T303-L306 PolarHBondContact O-N 2.86Å
307L96.8Very high93.1Very high0 Ų061.8 Ų61.80%031%0.309CS..EExtended strand (participates in β ladder)trans-114.1125.5166.4179.3152.9000109V285 I287 L300 V302 L318 L320 L322 V344 L346V285-L307 HydrophobicContact CB-CD1 4.34Å; V285-L307 HydrophobicContact CG1-CD1 4.29Å; V285-L307 HydrophobicContact CG2-CD1 4.22Å; I287-L307 HydrophobicContact CD1-CD2 4.1Å; L300-L307 HydrophobicContact CD1-CD1 4.18Å; L300-L307 HydrophobicContact CD1-CD2 4Å; L300-L307 HydrophobicContact CD1-CG 3.95Å; V302-L307 HydrophobicContact CG2-CB 4.43Å; V302-L307 HydrophobicContact CG2-CD1 4.12Å; V302-L307 HydrophobicContact CG2-CG 4.12Å; L307-L318 HydrophobicContact CD2-CD2 4.2Å; L307-L320 HydrophobicContact CB-CB 4.29Å; L307-L320 HydrophobicContact CD2-CB 4.34Å; L307-L320 PolarHBondContact N-O 3.08Å; L307-L320 PolarHBondContact O-N 2.88Å; L307-L322 HydrophobicContact CB-CD1 4.37Å; L307-L322 HydrophobicContact CB-CD2 4.36Å; L307-L322 HydrophobicContact CB-CG 4.38Å; L307-V344 HydrophobicContact CD1-CG1 4.48Å; L307-L346 HydrophobicContact CD1-CD1 4.07Å
308C96.4Very high93.8Very high13 Ų1356.9 Ų56.99%0.08829%0.286CS..EExtended strand (participates in β ladder)trans-117.3129.8179.3-72.90000110L300 E301 L318 R319L300-C308 WeakPolarHBondContact CA-O 3.49Å; E301-C308 HydrophobicContact CB-CB 4.21Å; E301-C308 PolarHBondContact N-O 2.75Å; E301-C308 PolarHBondContact O-N 3.11Å; C308-L318 WeakPolarHBondContact CA-O 3.4Å; C308-R319 WeakPolarHBondContact SG-CD 3.3Å
309L96.7Very high94Very high1 Ų161.1 Ų61.11%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-121.4131.3167.9-16778000109P253 I287 L289 A298 A299 L300 R317 L318 R319 L342P253-L309 HydrophobicContact CG-CD2 4.4Å; I287-L309 HydrophobicContact CD1-CD2 4.22Å; I287-L309 HydrophobicContact CG2-CD2 4.14Å; L289-L309 HydrophobicContact CD1-CD2 4.07Å; L289-L309 HydrophobicContact CD2-CD2 3.84Å; A298-L309 HydrophobicContact CB-CD1 4.12Å; A299-L309 WeakPolarHBondContact O-CA 3.32Å; L300-L309 HydrophobicContact CB-CD1 4.04Å; L300-L309 HydrophobicContact CD1-CD1 3.96Å; L309-R317 CarbonylContact O-C 3.59Å; L309-R317 WeakPolarHBondContact O-CA 3.07Å; L309-L318 HydrophobicContact CB-CB 3.94Å; L309-L318 PolarHBondContact N-O 2.82Å; L309-L318 PolarHBondContact O-N 3.46Å; L309-R319 PolarHBondContact O-NH1 2.81Å; L309-L342 HydrophobicContact CD1-CD2 3.66Å
310D95.5Very high94.1Very high41 Ų4159.1 Ų59.122%0.21928%0.279CS..EExtended strand (participates in β ladder)trans-130.2135.4168-74.2-91000110A298 A299 Y316 R317 R319A298-D310 CarbonylContact C-O 3.57Å; A298-D310 VanDerWaalsContact CA-O 3.29Å; A298-D310 WeakPolarHBondContact CA-O 3.32Å; A299-D310 PolarHBondContact N-O 3.47Å; A299-D310 PolarHBondContact O-N 2.9Å; D310-Y316 CarbonylContact C-O 3.52Å; D310-Y316 WeakPolarHBondContact CA-O 3.43Å; D310-R317 IonicContact OD1-CZ 3.95Å; D310-R317 VanDerWaalsContact OD1-CZ 3.24Å; D310-R317 IonicContact OD1-NE 2.68Å; D310-R317 PolarHBondContact OD1-NE 2.9Å; D310-R317 IonicContact OD1-NH2 3.16Å; D310-R317 PolarHBondContact OD1-NH2 2.97Å; D310-R319 IonicContact OD1-NH1 2.92Å; D310-R319 IonicContact OD1-NH2 3.06Å; D310-R319 IonicContact OD2-CZ 3.91Å; D310-R319 IonicContact OD2-NH1 3.14Å; D310-R319 PolarHBondContact OD2-NH1 3.47Å; D310-R319 IonicContact OD2-NH2 3.94Å; D310-R319 PolarHBondContact OD2-NH2 3Å
311S94.2Very high94.2Very high5 Ų561.2 Ų61.24%0.03530%0.298CS..EExtended strand (participates in β ladder)trans-134.5141.71691660000108.8Q297 P314 D315 Y316Q297-S311 VanDerWaalsContact O-CA 3.32Å; Q297-S311 WeakPolarHBondContact O-CA 3.3Å; Q297-S311 WeakPolarHBondContact O-CB 3.48Å; Q297-S311 PolarHBondContact O-OG 2.93Å; S311-P314 CarbonylContact C-O 3.54Å; S311-P314 VanDerWaalsContact CB-O 3.3Å; S311-P314 WeakPolarHBondContact CB-O 3.37Å; S311-P314 VanDerWaalsContact O-O 3.06Å; S311-P314 PolarHBondContact OG-O 2.98Å; S311-D315 VanDerWaalsContact O-CA 3.27Å; S311-D315 WeakPolarHBondContact O-CA 3.45Å; S311-Y316 PolarHBondContact N-O 2.8Å; S311-Y316 PolarHBondContact O-N 2.87Å
312R87.4Confident94.2Very high221 Ų22155.6 Ų55.683%0.83427%0.272SS*.EExtended strand (participates in β ladder)trans-93.7-28.6-177.9-62.8-168.9-175.3-156.83.2114.4P314R312-P314 CarbonylContact C-O 3.57Å; R312-P314 VanDerWaalsContact C-O 3.27Å; R312-P314 PolarHBondContact N-O 2.99Å
313K87.5Confident94.1Very high150 Ų15057.5 Ų57.565%0.65229%0.285SS*.THydrogen-bonded Turntrans-149.789-176.6-67.8-173.7-179.8177.40111.1Q297Q297-K313 PolarHBondContact OE1-O 3.36Å
314P90.9Very high94.2Very high4 Ų455.6 Ų55.63%0.02627%0.267CS..THydrogen-bonded Turncis-62.2154.11.629.1-39.4000113.9N184 L291 L292 S311 R312 Y316N184-P314 HydrophobicContact CB-CB 3.98Å; N184-P314 VanDerWaalsContact CG-CB 3.46Å; N184-P314 VanDerWaalsContact OD1-CA 3.29Å; N184-P314 WeakPolarHBondContact OD1-CA 3.36Å; N184-P314 WeakPolarHBondContact OD1-CB 3.49Å; L291-P314 HydrophobicContact CB-CB 4.09Å; L291-P314 HydrophobicContact CB-CG 3.85Å; L291-P314 HydrophobicContact CD1-CB 4.49Å; L292-P314 HydrophobicContact CD2-CG 4.21Å; L292-P314 HydrophobicContact CG-CG 3.77Å; S311-P314 CarbonylContact C-O 3.54Å; S311-P314 VanDerWaalsContact CB-O 3.3Å; S311-P314 WeakPolarHBondContact CB-O 3.37Å; S311-P314 VanDerWaalsContact O-O 3.06Å; S311-P314 PolarHBondContact OG-O 2.98Å; R312-P314 CarbonylContact C-O 3.57Å; R312-P314 VanDerWaalsContact C-O 3.27Å; R312-P314 PolarHBondContact N-O 2.99Å; P314-Y316 HydrophobicContact CB-CD2 4.07Å; P314-Y316 HydrophobicContact CB-CE1 4.49Å; P314-Y316 HydrophobicContact CB-CE2 3.86Å; P314-Y316 HydrophobicContact CB-CG 4.49Å; P314-Y316 HydrophobicContact CG-CD2 3.53Å; P314-Y316 HydrophobicContact CG-CE2 3.26Å; P314-Y316 HydrophobicContact CG-CG 4.39Å; P314-Y316 PolarHBondContact O-N 2.82Å
315D93.1Very high94.3Very high46 Ų4656.2 Ų56.225%0.24627%0.265CS..EExtended strand (participates in β ladder)trans-80.193.1175-153.4-31.1000109R183 N184 T251 S311R183-D315 IonicContact CZ-OD1 3.96Å; R183-D315 IonicContact CZ-OD2 3.92Å; R183-D315 VanDerWaalsContact NE-CG 3.3Å; R183-D315 IonicContact NE-OD1 3.01Å; R183-D315 IonicContact NE-OD2 2.85Å; R183-D315 PolarHBondContact NE-OD2 2.87Å; R183-D315 VanDerWaalsContact NE-OD2 3.1Å; R183-D315 IonicContact NH2-OD1 3.28Å; R183-D315 IonicContact NH2-OD2 3.69Å; R183-D315 PolarHBondContact NH2-OD2 2.93Å; N184-D315 PolarHBondContact ND2-O 3.27Å; N184-D315 PolarHBondContact OD1-N 3.28Å; T251-D315 PolarHBondContact N-O 3.41Å; S311-D315 VanDerWaalsContact O-CA 3.27Å; S311-D315 WeakPolarHBondContact O-CA 3.45Å
316Y95.3Very high94.3Very high4 Ų451.1 Ų51.12%0.01624%0.243CC..EExtended strand (participates in β ladder)trans-119.6139.9178-69.2-46.4000109.7D181 T251 L289 L291 L292 D310 S311 P314D181-Y316 WeakPolarHBondContact OD2-CE1 3.43Å; T251-Y316 HydrophobicContact CG2-CD1 4.23Å; T251-Y316 HydrophobicContact CG2-CE1 4.09Å; T251-Y316 VanDerWaalsContact O-CA 3.28Å; T251-Y316 WeakPolarHBondContact O-CA 3.5Å; T251-Y316 WeakPolarHBondContact O-CD1 3.32Å; L289-Y316 HydrophobicContact CB-CE2 4.37Å; L289-Y316 HydrophobicContact CD2-CD2 3.63Å; L289-Y316 HydrophobicContact CD2-CE2 3.92Å; L289-Y316 HydrophobicContact CD2-CG 4.29Å; L291-Y316 HydrophobicContact CB-CE2 4.47Å; L291-Y316 WeakPolarHBondContact CB-OH 3.35Å; L292-Y316 HydrophobicContact CD1-CD2 4.08Å; L292-Y316 HydrophobicContact CD1-CE2 4.38Å; L292-Y316 HydrophobicContact CG-CD2 4.43Å; L292-Y316 HydrophobicContact CG-CE2 4.38Å; D310-Y316 CarbonylContact C-O 3.52Å; D310-Y316 WeakPolarHBondContact CA-O 3.43Å; S311-Y316 PolarHBondContact N-O 2.8Å; S311-Y316 PolarHBondContact O-N 2.87Å; P314-Y316 HydrophobicContact CB-CD2 4.07Å; P314-Y316 HydrophobicContact CB-CE1 4.49Å; P314-Y316 HydrophobicContact CB-CE2 3.86Å; P314-Y316 HydrophobicContact CB-CG 4.49Å; P314-Y316 HydrophobicContact CG-CD2 3.53Å; P314-Y316 HydrophobicContact CG-CE2 3.26Å; P314-Y316 HydrophobicContact CG-CG 4.39Å; P314-Y316 PolarHBondContact O-N 2.82Å
317R95.7Very high94.2Very high117 Ų11749.8 Ų49.844%0.44224%0.236SC..EExtended strand (participates in β ladder)trans-137.4129.8171.4-179.5165.3-77.4164.5-1.8110.6P250 T251 E252 P253 L309 D310 R319P250-R317 HydrophobicContact CB-CB 3.68Å; P250-R317 HydrophobicContact CG-CB 4.36Å; T251-R317 PolarHBondContact O-N 2.86Å; T251-R317 VanDerWaalsContact O-N 3.15Å; E252-R317 WeakPolarHBondContact CA-O 3.29Å; P253-R317 WeakPolarHBondContact CD-O 3.38Å; L309-R317 CarbonylContact O-C 3.59Å; L309-R317 WeakPolarHBondContact O-CA 3.07Å; D310-R317 IonicContact OD1-CZ 3.95Å; D310-R317 VanDerWaalsContact OD1-CZ 3.24Å; D310-R317 IonicContact OD1-NE 2.68Å; D310-R317 PolarHBondContact OD1-NE 2.9Å; D310-R317 IonicContact OD1-NH2 3.16Å; D310-R317 PolarHBondContact OD1-NH2 2.97Å; R317-R319 HydrophobicContact CG-CG 4.49Å
318L96.1Very high93.8Very high0 Ų054.4 Ų54.40%026%0.261CS..EExtended strand (participates in β ladder)trans-126.1141.1169.1-174.662.2000109.7E252 P253 Y255 I287 L307 C308 L309 L320E252-L318 HydrophobicContact CG-CD1 3.96Å; E252-L318 WeakPolarHBondContact OE1-CD1 3.41Å; P253-L318 HydrophobicContact CG-CB 3.99Å; Y255-L318 HydrophobicContact CD1-CD1 3.53Å; Y255-L318 HydrophobicContact CD1-CD2 4Å; Y255-L318 HydrophobicContact CD1-CG 4.43Å; Y255-L318 HydrophobicContact CE1-CD1 3.58Å; Y255-L318 HydrophobicContact CG-CD1 4.47Å; Y255-L318 HydrophobicContact CG-CD2 4.2Å; I287-L318 HydrophobicContact CD1-CD2 3.8Å; I287-L318 HydrophobicContact CG1-CD2 4.12Å; I287-L318 HydrophobicContact CG2-CD2 4.35Å; L307-L318 HydrophobicContact CD2-CD2 4.2Å; C308-L318 WeakPolarHBondContact CA-O 3.4Å; L309-L318 HydrophobicContact CB-CB 3.94Å; L309-L318 PolarHBondContact N-O 2.82Å; L309-L318 PolarHBondContact O-N 3.46Å; L318-L320 HydrophobicContact CD2-CB 4.36Å; L318-L320 HydrophobicContact CG-CB 4.22Å
319R96.6Very high93.5Very high111 Ų11157.1 Ų57.142%0.41929%0.291SS..EExtended strand (participates in β ladder)trans-136.193.8173.9-65-62.6-176.5-103.811.2108C308 L309 D310 R317C308-R319 WeakPolarHBondContact SG-CD 3.3Å; L309-R319 PolarHBondContact O-NH1 2.81Å; D310-R319 IonicContact OD1-NH1 2.92Å; D310-R319 IonicContact OD1-NH2 3.06Å; D310-R319 IonicContact OD2-CZ 3.91Å; D310-R319 IonicContact OD2-NH1 3.14Å; D310-R319 PolarHBondContact OD2-NH1 3.47Å; D310-R319 IonicContact OD2-NH2 3.94Å; D310-R319 PolarHBondContact OD2-NH2 3Å; R317-R319 HydrophobicContact CG-CG 4.49Å
320L96Very high93.3Very high10 Ų1065.4 Ų65.45%0.05232%0.323CS..EExtended strand (participates in β ladder)trans-109.3116.9-169.4172.658.9000111.2Y255 V257 V285 L307 L318 L322Y255-L320 HydrophobicContact CD2-CD1 4.28Å; Y255-L320 HydrophobicContact CD2-CD2 3.97Å; Y255-L320 HydrophobicContact CE2-CD1 3.48Å; Y255-L320 VanDerWaalsContact CE2-CD1 3.48Å; Y255-L320 HydrophobicContact CE2-CD2 4.03Å; Y255-L320 HydrophobicContact CE2-CG 4.36Å; V257-L320 HydrophobicContact CG2-CD1 4.46Å; V257-L320 HydrophobicContact CG2-CD2 3.83Å; V285-L320 HydrophobicContact CG1-CD2 3.73Å; V285-L320 HydrophobicContact CG2-CD2 4.43Å; L307-L320 HydrophobicContact CB-CB 4.29Å; L307-L320 HydrophobicContact CD2-CB 4.34Å; L307-L320 PolarHBondContact N-O 3.08Å; L307-L320 PolarHBondContact O-N 2.88Å; L318-L320 HydrophobicContact CD2-CB 4.36Å; L318-L320 HydrophobicContact CG-CB 4.22Å; L320-L322 HydrophobicContact CD2-CD2 4.02Å; L320-L322 HydrophobicContact CG-CD2 4.11Å; L320-L322 PolarHBondContact O-N 2.78Å
321S96.5Very high93.1Very high98 Ų9865.1 Ų65.169%0.68533%0.329SS*.EExtended strand (participates in β ladder)trans-78.1112.9167.6-61.90000110.3K305K305-S321 CarbonylContact O-C 3.53Å
322L95.4Very high93.1Very high6 Ų670.8 Ų70.83%0.03135%0.353CS..  trans-76.4143.7176.7-57.8174.4000110.8L283 V285 V302 K305 L307 L320 Y324 V326 L346L283-L322 HydrophobicContact CD1-CB 4.12Å; L283-L322 HydrophobicContact CD1-CD2 4.38Å; V285-L322 HydrophobicContact CG2-CD2 3.94Å; V302-L322 HydrophobicContact CG1-CD1 4.49Å; K305-L322 WeakPolarHBondContact O-CB 3.47Å; K305-L322 PolarHBondContact O-N 2.73Å; L307-L322 HydrophobicContact CB-CD1 4.37Å; L307-L322 HydrophobicContact CB-CD2 4.36Å; L307-L322 HydrophobicContact CB-CG 4.38Å; L320-L322 HydrophobicContact CD2-CD2 4.02Å; L320-L322 HydrophobicContact CG-CD2 4.11Å; L320-L322 PolarHBondContact O-N 2.78Å; L322-Y324 PolarHBondContact O-N 2.82Å; L322-V326 HydrophobicContact CD1-CG1 4.09Å; L322-V326 HydrophobicContact CD1-CG2 3.73Å; L322-L346 HydrophobicContact CD1-CD1 3.81Å
323P94.1Very high93.5Very high62 Ų6262.9 Ų62.940%0.40334%0.335SS..SBendtrans-63.5-40.1-178.721.8-31.8000112.9L283 K305L283-P323 HydrophobicContact CD1-CG 4.05Å; L283-P323 HydrophobicContact CD2-CG 4.24Å; K305-P323 PolarHBondContact NZ-O 2.82Å
324Y92.9Very high93.9Very high59 Ų5961.3 Ų61.323%0.23133%0.329CS..SBendtrans-114.9153.2-177.1-58.9-83000111.1V279 P280 L283 L322 V348V279-Y324 HydrophobicContact CB-CE1 4.46Å; V279-Y324 HydrophobicContact CG1-CD1 3.82Å; V279-Y324 HydrophobicContact CG1-CE1 3.98Å; V279-Y324 HydrophobicContact CG1-CG 4.44Å; V279-Y324 HydrophobicContact CG2-CE1 4.27Å; P280-Y324 VanDerWaalsContact CD-CE2 3.44Å; P280-Y324 VanDerWaalsContact CD-CZ 3.5Å; P280-Y324 HydrophobicContact CG-CD2 3.67Å; P280-Y324 HydrophobicContact CG-CE2 3.48Å; P280-Y324 VanDerWaalsContact CG-CE2 3.48Å; P280-Y324 HydrophobicContact CG-CG 4.44Å; L283-Y324 HydrophobicContact CD2-CD2 4.25Å; L322-Y324 PolarHBondContact O-N 2.82Å; Y324-V348 HydrophobicContact CG-CG1 4.2Å
325P93.5Very high94.1Very high46 Ų4662.8 Ų62.830%0.29934%0.336SS..  trans-67.1138.8169.531.4-32.4000109.4G304 K305 V348 V349G304-P325 CarbonylContact O-C 3.51Å; G304-P325 WeakPolarHBondContact O-CA 3.24Å; K305-P325 HydrophobicContact CG-CB 4.23Å; P325-V348 WeakPolarHBondContact O-CA 3.4Å; P325-V349 HydrophobicContact CB-CB 4.49Å; P325-V349 HydrophobicContact CG-CB 4.35Å; P325-V349 PolarHBondContact O-N 2.83Å
326V94.5Very high93.9Very high5 Ų563.7 Ų63.73%0.0334%0.341CS..BIsolated β-bridgetrans-118.8155.1-178.7-63.60000112.1L283 V302 G304 L322 D328 L346 P347 V348L283-V326 HydrophobicContact CD1-CG1 3.94Å; L283-V326 HydrophobicContact CG-CG1 4.48Å; V302-V326 HydrophobicContact CG1-CG2 3.63Å; G304-V326 WeakPolarHBondContact O-CG2 3.32Å; G304-V326 PolarHBondContact O-N 3.26Å; L322-V326 HydrophobicContact CD1-CG1 4.09Å; L322-V326 HydrophobicContact CD1-CG2 3.73Å; V326-D328 PolarHBondContact O-N 3.27Å; V326-L346 HydrophobicContact CB-CB 3.98Å; V326-L346 HydrophobicContact CG1-CB 3.8Å; V326-L346 HydrophobicContact CG2-CB 4.3Å; V326-L346 HydrophobicContact CG2-CD1 4.29Å; V326-P347 CarbonylContact C-O 3.49Å; V326-P347 WeakPolarHBondContact CA-O 3.42Å; V326-P347 VanDerWaalsContact CB-O 3.31Å; V326-P347 WeakPolarHBondContact CB-O 3.32Å; V326-V348 HydrophobicContact CG1-CG2 4.44Å
327D92.4Very high93.5Very high47 Ų4770.1 Ų70.125%0.25137%0.368SS..  trans-85.4100.6170.2-174.8-29.9000107.9G329 R330 G331 P347 V349D327-G329 PolarHBondContact OD1-N 2.88Å; D327-R330 HydrophobicContact CB-CB 4.37Å; D327-R330 PolarHBondContact OD1-N 3.24Å; D327-R330 VanDerWaalsContact OD2-CD 3.25Å; D327-R330 WeakPolarHBondContact OD2-CD 3.39Å; D327-R330 IonicContact OD2-NH1 3.83Å; D327-G331 PolarHBondContact O-N 3.1Å; D327-P347 HydrophobicContact CB-CB 4.38Å; D327-P347 PolarHBondContact N-O 3.35Å; D327-V349 HydrophobicContact CB-CG2 4.03Å
328D89.8Confident93Very high97 Ų9766 Ų6652%0.51936%0.36SS..SBendtrans-68.2-34.8179.356.3-51.7000112V302 V326 R330 G331V302-D328 HydrophobicContact CB-CB 4.28Å; V302-D328 HydrophobicContact CG1-CB 4.26Å; V326-D328 PolarHBondContact O-N 3.27Å; D328-R330 VanDerWaalsContact C-N 3.3Å; D328-R330 PolarHBondContact O-N 2.8Å; D328-G331 PolarHBondContact O-N 2.59Å
329G90.1Very high92.4Very high70 Ų7073.7 Ų73.772%0.72239%0.389SS*.THydrogen-bonded Turntrans-66.5-27.9177.100000114.1D327D327-G329 PolarHBondContact OD1-N 2.88Å
330R91.7Very high92.1Very high175 Ų17570.5 Ų70.566%0.6638%0.377SS*.THydrogen-bonded Turntrans-100.36.1174.8-66.4179.356.1-1370.2113.8D327 D328 P347D327-R330 HydrophobicContact CB-CB 4.37Å; D327-R330 PolarHBondContact OD1-N 3.24Å; D327-R330 VanDerWaalsContact OD2-CD 3.25Å; D327-R330 WeakPolarHBondContact OD2-CD 3.39Å; D327-R330 IonicContact OD2-NH1 3.83Å; D328-R330 VanDerWaalsContact C-N 3.3Å; D328-R330 PolarHBondContact O-N 2.8Å; R330-P347 HydrophobicContact CB-CG 3.97Å
331G92.4Very high91.9Very high34 Ų3470.8 Ų70.835%0.35138%0.378SS..  trans-65.4148.7175.300000113.4D327 D328 T345D327-G331 PolarHBondContact O-N 3.1Å; D328-G331 PolarHBondContact O-N 2.59Å; G331-T345 WeakPolarHBondContact CA-O 3.37Å
332K94.4Very high91.9Very high125 Ų12566.5 Ų66.554%0.54335%0.347SS..EExtended strand (participates in β ladder)trans-131.4120.5178.9-173.2-176.5-176.6-176.90110.9V344 T345K332-V344 CarbonylContact O-C 3.57Å; K332-V344 WeakPolarHBondContact O-CA 3.44Å; K332-T345 PolarHBondContact N-O 2.83Å; K332-T345 PolarHBondContact O-N 3Å
333A95.4Very high91.9Very high54 Ų5468.1 Ų68.145%0.44636%0.357SS..EExtended strand (participates in β ladder)trans-110.5138.517600000112.1L300 L342 V343 V344L300-A333 HydrophobicContact CD2-CB 3.78Å; A333-L342 HydrophobicContact CB-CD1 4.35Å; A333-V343 CarbonylContact C-O 3.57Å; A333-V343 WeakPolarHBondContact CA-O 3.49Å; A333-V344 HydrophobicContact CB-CG1 4.37Å; A333-V344 HydrophobicContact CB-CG2 4.36Å
334Q95Very high92.1Very high117 Ų11765.2 Ų65.255%0.54734%0.339SS..EExtended strand (participates in β ladder)trans-139.3129.1177.2-66.7-167.8-25.700111.4V343Q334-V343 PolarHBondContact N-O 2.99Å; Q334-V343 PolarHBondContact O-N 3.35Å
335F94.7Very high92.3Very high35 Ų3563.8 Ų63.815%0.15434%0.336CS..EExtended strand (participates in β ladder)trans-100.6109.7176.6-177-98000111.9L289 L292 A295 K337 Q341 L342L289-F335 HydrophobicContact CB-CE2 4.32Å; L289-F335 HydrophobicContact CD1-CE2 4.28Å; L292-F335 HydrophobicContact CB-CE2 4.39Å; L292-F335 HydrophobicContact CB-CZ 4.2Å; A295-F335 HydrophobicContact CB-CB 3.84Å; A295-F335 HydrophobicContact CB-CG 4.17Å; F335-K337 HydrophobicContact CD1-CG 3.9Å; F335-K337 HydrophobicContact CE1-CG 4.03Å; F335-K337 PolarHBondContact O-N 2.78Å; F335-Q341 CarbonylContact C-O 3.57Å; F335-Q341 WeakPolarHBondContact CA-O 3.45Å; F335-Q341 WeakPolarHBondContact CD2-O 3.15Å; F335-L342 HydrophobicContact CB-CD1 4.26Å; F335-L342 HydrophobicContact CD2-CB 4.2Å
336N90Very high92.4Very high66 Ų6661.7 Ų61.735%0.35332%0.322SS..EExtended strand (participates in β ladder)trans-76.5105.7173.9-172.5-35.3000110.1A338 R339 R340 Q341N336-A338 VanDerWaalsContact C-N 3.32Å; N336-A338 PolarHBondContact O-N 3.12Å; N336-A338 PolarHBondContact OD1-N 2.92Å; N336-R339 HydrophobicContact CB-CB 4.28Å; N336-R339 PolarHBondContact OD1-N 2.75Å; N336-R340 VanDerWaalsContact O-CA 3.31Å; N336-R340 WeakPolarHBondContact O-CA 3.48Å; N336-R340 PolarHBondContact O-N 2.76Å; N336-Q341 PolarHBondContact N-O 3.36Å; N336-Q341 PolarHBondContact O-N 2.91Å
337K87.4Confident92.4Very high138 Ų13862 Ų6260%0.633%0.325SS*.THydrogen-bonded Turntrans-68-25.4-178.9-65.6176.7-176.41710114.2F335 R340F335-K337 HydrophobicContact CD1-CG 3.9Å; F335-K337 HydrophobicContact CE1-CG 4.03Å; F335-K337 PolarHBondContact O-N 2.78Å; K337-R340 PolarHBondContact O-NE 3.2Å; K337-R340 PolarHBondContact O-NH1 2.9Å; K337-R340 PolarHBondContact O-NH2 3.21Å
338A83.3Confident92.5Very high32 Ų3260.6 Ų60.626%0.26432%0.317SS..THydrogen-bonded Turntrans-78.2-55.2178.300000109.8S137 N336 R340S137-A338 WeakPolarHBondContact CB-O 3.21Å; N336-A338 VanDerWaalsContact C-N 3.32Å; N336-A338 PolarHBondContact O-N 3.12Å; N336-A338 PolarHBondContact OD1-N 2.92Å; A338-R340 VanDerWaalsContact C-N 3.29Å; A338-R340 PolarHBondContact O-N 2.87Å
339R84.3Confident92.6Very high160 Ų16059.1 Ų59.160%0.60431%0.312SS*.THydrogen-bonded Turntrans-74.1-12179.2-64.8-178.158.4158.5-1.6114.7N336 Q341N336-R339 HydrophobicContact CB-CB 4.28Å; N336-R339 PolarHBondContact OD1-N 2.75Å; R339-Q341 VanDerWaalsContact C-N 3.3Å; R339-Q341 HydrophobicContact CB-CB 4.38Å; R339-Q341 HydrophobicContact CB-CG 4.2Å; R339-Q341 VanDerWaalsContact CZ-OE1 3.22Å; R339-Q341 VanDerWaalsContact NH2-OE1 3.11Å; R339-Q341 PolarHBondContact O-N 2.9Å
340R89.6Confident92.3Very high44 Ų4460.3 Ų60.317%0.16630%0.301CS..THydrogen-bonded Turntrans60.435.5-175.4-58-75.9159.3-147.3-12.1113.5L289 L292 R293 N336 K337 A338L289-R340 CarbonylContact C-O 3.35Å; L289-R340 VanDerWaalsContact C-O 3.32Å; L289-R340 WeakPolarHBondContact CA-O 3.45Å; L289-R340 PolarHBondContact N-O 2.91Å; L292-R340 WeakPolarHBondContact O-CD 3.44Å; L292-R340 PolarHBondContact O-NH1 3.35Å; R293-R340 VanDerWaalsContact CA-NH1 3.31Å; R293-R340 PolarHBondContact O-NH1 2.85Å; N336-R340 VanDerWaalsContact O-CA 3.31Å; N336-R340 WeakPolarHBondContact O-CA 3.48Å; N336-R340 PolarHBondContact O-N 2.76Å; K337-R340 PolarHBondContact O-NE 3.2Å; K337-R340 PolarHBondContact O-NH1 2.9Å; K337-R340 PolarHBondContact O-NH2 3.21Å; A338-R340 VanDerWaalsContact C-N 3.29Å; A338-R340 PolarHBondContact O-N 2.87Å
341Q93.1Very high91.2Very high16 Ų1656.9 Ų56.98%0.07530%0.302CS..EExtended strand (participates in β ladder)trans-116.1139.2-173.7-76.1166-1.500111.4T286 I287 E288 F335 N336 R339T286-Q341 HydrophobicContact CG2-CB 4.3Å; T286-Q341 HydrophobicContact CG2-CG 4.25Å; I287-Q341 WeakPolarHBondContact O-CA 3.46Å; E288-Q341 VanDerWaalsContact OE1-CD 3.3Å; E288-Q341 PolarHBondContact OE1-NE2 3.2Å; E288-Q341 WeakPolarHBondContact OE2-CG 3.39Å; E288-Q341 PolarHBondContact OE2-NE2 3.47Å; F335-Q341 CarbonylContact C-O 3.57Å; F335-Q341 WeakPolarHBondContact CA-O 3.45Å; F335-Q341 WeakPolarHBondContact CD2-O 3.15Å; N336-Q341 PolarHBondContact N-O 3.36Å; N336-Q341 PolarHBondContact O-N 2.91Å; R339-Q341 VanDerWaalsContact C-N 3.3Å; R339-Q341 HydrophobicContact CB-CB 4.38Å; R339-Q341 HydrophobicContact CB-CG 4.2Å; R339-Q341 VanDerWaalsContact CZ-OE1 3.22Å; R339-Q341 VanDerWaalsContact NH2-OE1 3.11Å; R339-Q341 PolarHBondContact O-N 2.9Å
342L95.5Very high89.8Confident8 Ų859.8 Ų59.84%0.04232%0.322CS..EExtended strand (participates in β ladder)trans-98.5117.3164.5179.762.8000108.5I287 L289 L300 L309 A333 F335 V344I287-L342 HydrophobicContact CB-CB 4.43Å; I287-L342 HydrophobicContact CD1-CD2 4.46Å; I287-L342 PolarHBondContact N-O 2.96Å; I287-L342 PolarHBondContact O-N 2.96Å; L289-L342 HydrophobicContact CD1-CB 3.67Å; L289-L342 HydrophobicContact CD1-CD2 4.36Å; L300-L342 HydrophobicContact CD2-CD2 4.46Å; L309-L342 HydrophobicContact CD1-CD2 3.66Å; A333-L342 HydrophobicContact CB-CD1 4.35Å; F335-L342 HydrophobicContact CB-CD1 4.26Å; F335-L342 HydrophobicContact CD2-CB 4.2Å; L342-V344 HydrophobicContact CD2-CG2 4.35Å; L342-V344 HydrophobicContact CG-CG2 4Å
343V96.7Very high88Confident40 Ų4058.1 Ų58.124%0.24233%0.332CS..EExtended strand (participates in β ladder)trans-104.6124.3175.5-177.10000108.1V284 V285 T286 A333 Q334V284-V343 HydrophobicContact CG1-CG1 3.73Å; V285-V343 CarbonylContact O-C 3.57Å; V285-V343 WeakPolarHBondContact O-CA 3.39Å; T286-V343 HydrophobicContact CG2-CG2 4.24Å; A333-V343 CarbonylContact C-O 3.57Å; A333-V343 WeakPolarHBondContact CA-O 3.49Å; Q334-V343 PolarHBondContact N-O 2.99Å; Q334-V343 PolarHBondContact O-N 3.35Å
344V96.9Very high85.5Confident2 Ų266.3 Ų66.31%0.01235%0.351CS..EExtended strand (participates in β ladder)trans-120114.9179.9-1650000108.5V284 V285 L300 L307 K332 A333 L342 L346V284-V344 CarbonylContact C-O 3.54Å; V284-V344 WeakPolarHBondContact CA-O 3.45Å; V285-V344 HydrophobicContact CB-CB 4.37Å; V285-V344 PolarHBondContact N-O 3.21Å; V285-V344 PolarHBondContact O-N 3.13Å; L300-V344 HydrophobicContact CD1-CG2 4.34Å; L300-V344 HydrophobicContact CD2-CG1 3.99Å; L300-V344 HydrophobicContact CD2-CG2 3.71Å; L307-V344 HydrophobicContact CD1-CG1 4.48Å; K332-V344 CarbonylContact O-C 3.57Å; K332-V344 WeakPolarHBondContact O-CA 3.44Å; A333-V344 HydrophobicContact CB-CG1 4.37Å; A333-V344 HydrophobicContact CB-CG2 4.36Å; L342-V344 HydrophobicContact CD2-CG2 4.35Å; L342-V344 HydrophobicContact CG-CG2 4Å; V344-L346 HydrophobicContact CG1-CD1 4.17Å; V344-L346 HydrophobicContact CG1-CD2 3.7Å; V344-L346 HydrophobicContact CG1-CG 3.84Å
345T96.7Very high83Confident28 Ų2872.2 Ų72.217%0.17237%0.368CS..EExtended strand (participates in β ladder)trans-99.7123.2174.9-55.30000108.8E282 L283 V284 G331 K332E282-T345 HydrophobicContact CB-CG2 4.38Å; L283-T345 CarbonylContact O-C 3.56Å; L283-T345 WeakPolarHBondContact O-CA 3.45Å; V284-T345 HydrophobicContact CG2-CG2 4.3Å; G331-T345 WeakPolarHBondContact CA-O 3.37Å; K332-T345 PolarHBondContact N-O 2.83Å; K332-T345 PolarHBondContact O-N 3Å
346L96.3Very high80.2Confident2 Ų276.4 Ų76.41%0.0139%0.392CS..EExtended strand (participates in β ladder)trans-128.6111.4-171-61.6172.3000109.5E282 L283 V285 V302 L307 L322 V326 V344E282-L346 CarbonylContact C-O 3.5Å; E282-L346 VanDerWaalsContact CA-O 3.31Å; E282-L346 WeakPolarHBondContact CA-O 3.46Å; L283-L346 PolarHBondContact N-O 3.23Å; L283-L346 PolarHBondContact O-N 2.86Å; V285-L346 HydrophobicContact CG2-CD1 4.36Å; V302-L346 HydrophobicContact CG1-CD1 4.15Å; V302-L346 HydrophobicContact CG1-CD2 4.18Å; V302-L346 HydrophobicContact CG2-CD1 4.42Å; V302-L346 HydrophobicContact CG2-CD2 4.22Å; L307-L346 HydrophobicContact CD1-CD1 4.07Å; L322-L346 HydrophobicContact CD1-CD1 3.81Å; V326-L346 HydrophobicContact CB-CB 3.98Å; V326-L346 HydrophobicContact CG1-CB 3.8Å; V326-L346 HydrophobicContact CG2-CB 4.3Å; V326-L346 HydrophobicContact CG2-CD1 4.29Å; V344-L346 HydrophobicContact CG1-CD1 4.17Å; V344-L346 HydrophobicContact CG1-CD2 3.7Å; V344-L346 HydrophobicContact CG1-CG 3.84Å
347P95.2Very high78.1Confident13 Ų1379.7 Ų79.78%0.08442%0.417CS..EExtended strand (participates in β ladder)trans-61.7138.2174.2-21.634.2000111.1H281 V326 D327 R330H281-P347 WeakPolarHBondContact O-CA 3.26Å; V326-P347 CarbonylContact C-O 3.49Å; V326-P347 WeakPolarHBondContact CA-O 3.42Å; V326-P347 VanDerWaalsContact CB-O 3.31Å; V326-P347 WeakPolarHBondContact CB-O 3.32Å; D327-P347 HydrophobicContact CB-CB 4.38Å; D327-P347 PolarHBondContact N-O 3.35Å; R330-P347 HydrophobicContact CB-CG 3.97Å
348V94.9Very high76.1Confident16 Ų1676.8 Ų76.810%0.09742%0.419CS..BIsolated β-bridgetrans-86134.3178.8172.80000110V279 P280 H281 L283 Y324 P325 V326 L350V279-V348 HydrophobicContact CG1-CG1 3.62Å; P280-V348 HydrophobicContact CG-CG2 4.39Å; P280-V348 WeakPolarHBondContact O-CB 3.32Å; P280-V348 WeakPolarHBondContact O-CG2 3.24Å; H281-V348 PolarHBondContact O-N 2.88Å; L283-V348 HydrophobicContact CD1-CG2 4.48Å; L283-V348 HydrophobicContact CD2-CG2 4.46Å; L283-V348 HydrophobicContact CG-CG2 3.89Å; Y324-V348 HydrophobicContact CG-CG1 4.2Å; P325-V348 WeakPolarHBondContact O-CA 3.4Å; V326-V348 HydrophobicContact CG1-CG2 4.44Å; V348-L350 PolarHBondContact O-N 2.82Å
349V91.6Very high74.1Confident67 Ų6782.2 Ų82.241%0.40645%0.448SS..  trans-79.7107.9172.2179.80000108.3P325 D327P325-V349 HydrophobicContact CB-CB 4.49Å; P325-V349 HydrophobicContact CG-CB 4.35Å; P325-V349 PolarHBondContact O-N 2.83Å; D327-V349 HydrophobicContact CB-CG2 4.03Å
350L83.7Confident71.9Confident95 Ų9579.7 Ų79.750%0.49746%0.462SS..PPolyproline II helixtrans-62.5132.1167.4-66.9175.9000108.9V279 V348 A352V279-L350 HydrophobicContact CB-CD2 3.83Å; V279-L350 HydrophobicContact CG1-CD2 3.77Å; V348-L350 PolarHBondContact O-N 2.82Å; L350-A352 PolarHBondContact O-N 3.09Å
351P68.8Low69.3Low103 Ų10380.8 Ų80.867%0.66949%0.487SS*.PPolyproline II helixtrans-55.2126.1169.7-21.832.5000108.8A353P351-A353 PolarHBondContact O-N 2.83Å
352A62.8Low66.6Low94 Ų9484.8 Ų84.878%0.77752%0.523SS*.PPolyproline II helixtrans-54.9118.5173.500000108.1L350 R354L350-A352 PolarHBondContact O-N 3.09Å; A352-R354 PolarHBondContact O-N 3.27Å
353A56.6Low63.6Low90 Ų9091 Ų9174%0.74456%0.561SS**PPolyproline II helixtrans-51.1127.917600000107.8P351 R355P351-A353 PolarHBondContact O-N 2.83Å; A353-R355 PolarHBondContact O-N 3.48Å
354R41.8Very low60.6Low227 Ų22794.1 Ų94.186%0.85759%0.59SS**  trans-57.7104.7179.2-72.1-175.8177.9-175.9-0.1107.6A352 D356A352-R354 PolarHBondContact O-N 3.27Å; R354-D356 PolarHBondContact O-N 2.83Å
355R42.2Very low57.5Low241 Ų24198.3 Ų98.391%0.90963%0.626SS**  trans-7290.9161.9-74.2-176.3176.5164.4-1105.3A353 P357A353-R355 PolarHBondContact O-N 3.48Å; R355-P357 VanDerWaalsContact O-CD 3.24Å; R355-P357 WeakPolarHBondContact O-CD 3.38Å; R355-P357 VanDerWaalsContact O-N 3.15Å
356D36.9Very low54.3Low122 Ų122101.9 Ų101.965%0.65266%0.658SS**  trans-56.9117172.7-69.2-36.2000108R354 A358R354-D356 PolarHBondContact O-N 2.83Å; D356-A358 HydrophobicContact CB-CB 4.31Å; D356-A358 PolarHBondContact O-N 2.91Å
357P46.3Very low51.1Low135 Ų135108.2 Ų108.288%0.87770%0.697SS**  trans-79.668.5-179.933.2-33.1000108.7R355R355-P357 VanDerWaalsContact O-CD 3.24Å; R355-P357 WeakPolarHBondContact O-CD 3.38Å; R355-P357 VanDerWaalsContact O-N 3.15Å
358A44.3Very low49.1Very low78 Ų78112.5 Ų112.565%0.64572%0.724SS**  trans-138.516.6-164.900000115.5D356D356-A358 HydrophobicContact CB-CB 4.31Å; D356-A358 PolarHBondContact O-N 2.91Å
359V41.2Very low45.9Very low145 Ų145119.7 Ų119.788%0.87976%0.757SS**  trans-140.969.5159.1-164.40000110.5
360A38.8Very low42.8Very low108 Ų108124.1 Ų124.189%0.89377%0.773SS**  trans-137.664.7170.500000109.7
361G35.9Very low40.2Very low66 Ų66123.6 Ų123.668%0.6878%0.778SS**  trans-172.8122.8-18000000110.8
362A36Very low38.3Very low101 Ų101126.6 Ų126.684%0.83579%0.787SS**  trans62123.4-161.200000113
363V32.8Very low36.9Very low138 Ų138129.3 Ų129.384%0.83679%0.789SS**  cis-124.3130.826.9-177.80000111.7
364A32.9Very low36.4Very low105 Ų105131.1 Ų131.187%0.86879%0.793SS**  trans-136.991.7166.500000109.1
365A31.8Very low36Very low91 Ų91126 Ų12675%0.75279%0.791SS**  trans-165.991.717200000111.6
366A29.9Very low35.4Very low102 Ų102117.8 Ų117.884%0.84378%0.782SS**  trans167.7127.514400000110.3
367T28.3Very low35.1Very low136 Ų136117.4 Ų117.483%0.83479%0.785SS**  trans-113.3-170171.549.80000109
368P52.7Low34.5Very low102 Ų102118.6 Ų118.666%0.66278%0.783SS**  -117.5-156.9-90.337.2-18.6000112.6
369E28Very low33.8Very low168 Ų168118.4 Ų118.479%0.78579%0.789SS**  trans74.4149.6179.1-42.3-69.9114.100114.3
370E27.4Very low33.1Very low159 Ų159121 Ų12174%0.74379%0.792SS**  cis-158.3154.85.7-146.7-167124.400112.3
371S29.3Very low32.6Very low85 Ų85120 Ų12059%0.59478%0.783SS**  trans77.3121.8139.275.20000125.1
372L28.9Very low32.4Very low166 Ų166122.9 Ų122.987%0.86979%0.791SS**  trans92.8114.2130.6-69.8163.2000124.3
373D33.5Very low32Very low151 Ų151122 Ų12281%0.80778%0.784SS**  trans-75176152.7-43.3-75.3000111.9
374P46.5Very low32.1Very low128 Ų128120.6 Ų120.683%0.83178%0.78SS**  -142.8177.870.841.5-24000113.1
375S32.1Very low32Very low118 Ų118121.3 Ų121.383%0.82577%0.774SS**  cis-149.1-174.33.654.60000107.2
376G28.8Very low31.7Very low69 Ų69124.1 Ų124.171%0.71177%0.771SS**  cis161.7179.713.400000107.9
377T32.5Very low31.6Very low115 Ų115127.5 Ų127.571%0.70677%0.77SS**  cis-163.2139.2-6.2-66.40000107.6
378D32.3Very low31.6Very low159 Ų159124.3 Ų124.385%0.8576%0.764SS**  trans46.8138.9167.3-55.4-18.6000121.2
379G29.5Very low30.4Very low74 Ų74128.8 Ų128.876%0.76378%0.776SS**  cis148.2131.1-5.600000112.6
380Q27.2Very low30.4Very low201 Ų201125.1 Ų125.194%0.93977%0.774SS**  trans-154.4128.5151-162.3147.19.100112.8
381A29Very low30.3Very low86 Ų86121 Ų12171%0.71177%0.774SS**  trans-82.7172.8177.100000111.1
382C30.9Very low31.1Very low126 Ų126122.9 Ų122.985%0.85178%0.784SS**  cis-167.2-165.90.2-134.10000109.5
383A28.3Very low31.1Very low82 Ų82120 Ų12068%0.67878%0.784SS**  trans92.395.9166.400000115.4
384S34.9Very low30.9Very low109 Ų109116.2 Ų116.276%0.76278%0.781SS**  92.1140.270.966.60000111.8
385V29.4Very low30Very low121 Ų121116.3 Ų116.373%0.73379%0.785SS**  cis-165.7160.67.7119.90000108
386H27Very low29.9Very low149 Ų149122.3 Ų122.369%0.6979%0.789SS**  trans13.1155.3154.9-63.2-123.2000120.6
387E28Very low30Very low174 Ų174123.4 Ų123.481%0.81379%0.792SS**  cis-159.2170.18.3-124.3153.4-153.200105.4
388G26.6Very low29.9Very low69 Ų69127.1 Ų127.171%0.71180%0.801SS**  cis124.986.947.100000110.4
389E27.6Very low29.8Very low196 Ų196127.6 Ų127.692%0.91680%0.804SS**  trans64155.4144.7-136.6170.2128.300124.4
390A27.9Very low29.7Very low91 Ų91127.2 Ų127.275%0.75280%0.8SS**  trans84124.3152.600000122.2
391G27.1Very low29.7Very low71 Ų71121 Ų12173%0.73279%0.79SS**  trans-86.7-151.8149.600000110.9
392P45.4Very low29.9Very low125 Ų125128 Ų12881%0.81280%0.798SS**  cis-138.3-169.912.942.6-23.4000115.1
393A29.3Very low29.8Very low105 Ų105127.6 Ų127.687%0.86879%0.787SS**  trans45.1142.3153.700000121.4
394G27.5Very low29.9Very low73 Ų73129.4 Ų129.475%0.75379%0.79SS**  cis143.7133.7-1.600000111.4
395S28.7Very low29.6Very low129 Ų129130 Ų13090%0.90280%0.795SS**  trans-171.7152.5162.250.20000115.2
396R29.6Very low29.6Very low244 Ų244130.6 Ų130.692%0.92180%0.798SS**  trans-49.8166.1-177.4-65.6166.8163.6171.1-7.2120
397A31.6Very low29.6Very low93 Ų93128.3 Ų128.377%0.76981%0.805SS**  trans119.6103.415100000111.5
398E29.5Very low29.4Very low193 Ų193123.6 Ų123.690%0.90280%0.803SS**  74.2117.481.5-85.1-158.816000115.6
399D30Very low29.5Very low169 Ų169125.1 Ų125.190%0.90481%0.809SS**  trans71.9146.3143.4-156.231.3000122.2
400G28.5Very low29.6Very low66 Ų66120.6 Ų120.668%0.6881%0.805SS**  trans71.5119.3169.900000116.2
401G28Very low29.6Very low71 Ų71121 Ų12173%0.73280%0.802SS**  cis114.5129.27.700000111.8
402R31.8Very low29.8Very low232 Ų232123.7 Ų123.788%0.87581%0.81SS**  trans67.8159.8167.8-71.2-151.3171.5155.42.8118.2
403D30.1Very low28.9Very low117 Ų117121 Ų12163%0.62680%0.804SS**  cis-170.1158.2-34.4-115.2-34.8000107.2
404T30.3Very low28.9Very low121 Ų121122.6 Ų122.674%0.74280%0.803SS**  trans49129.7152.456.30000122
405S28Very low28.7Very low122 Ų122125.2 Ų125.285%0.85381%0.805SS**  178.9160.2128.4310000111.5
406V28.3Very low28.6Very low132 Ų132125 Ų12580%0.880%0.798SS**  cis-170.9140.6-41.3122.90000108.1
407A27.2Very low28.5Very low101 Ų101120.5 Ų120.584%0.83580%0.798SS**  trans49.1165.2152.900000124.4
408G25.4Very low28.2Very low75 Ų75119.2 Ų119.277%0.77379%0.793SS**  trans100.2101.815700000114.9
409A28.3Very low28.2Very low101 Ų101117.7 Ų117.784%0.83579%0.791SS**  cis87.8122.335.500000115.6
410A28.4Very low28.6Very low101 Ų101115.9 Ų115.984%0.83579%0.788SS**  trans66.6153164.700000118.4
411S28.8Very low28.5Very low99 Ų99121.9 Ų121.969%0.69280%0.796SS**  cis-174.8152.5-19.752.70000111.1
412S30.8Very low28.4Very low129 Ų129125.4 Ų125.490%0.90280%0.803SS**  trans66.8146.6157.4-52.80000118.9
413G26.6Very low28.1Very low67 Ų67118 Ų11869%0.69179%0.791SS**  cis171.2167.4-8.600000113.5
414V28.7Very low28.1Very low140 Ų140118 Ų11885%0.84880%0.801SS**  trans62.4122.9157.5-166.70000118
415T24.4Very low28.8Very low128 Ų128118 Ų11879%0.78580%0.802SS**  -172.5169.285.3-45.60000111.4
416T26.6Very low29.7Very low125 Ų125118 Ų11877%0.76780%0.8SS**  trans-116.2-172.3-162.246.20000116.4
417V27Very low29.6Very low149 Ų149116.9 Ų116.990%0.90380%0.804SS**  trans95.3134.7171.7-172.30000114.7
418G25.3Very low29.5Very low65 Ų65115.9 Ų115.967%0.6780%0.804SS**  cis-179.8167.5-3.600000112.2
419D30.2Very low29.7Very low161 Ų161117.7 Ų117.786%0.86181%0.812SS**  trans-67.8168.5-173.4-56.7-92.4000116.4
420P38.6Very low29.6Very low131 Ų131116.7 Ų116.785%0.85181%0.811SS**  -145168.390.538.2-21.5000117.1
421K26.7Very low29.6Very low192 Ų192120 Ų12084%0.83581%0.809SS**  trans-112.2138.5-178.9167.3-171.3176.9-177.50111.9
422V25.9Very low29.4Very low146 Ų146124.6 Ų124.689%0.88582%0.82SS**  trans-142.6154.8164.6-177.30000109.5
423A24.3Very low29.1Very low76 Ų76128.6 Ų128.663%0.62882%0.815SS**  trans-136.8148.1-169.600000115.4
424S29.7Very low29.3Very low118 Ų118132.3 Ų132.383%0.82582%0.824SS**  trans62.6169156.6-53.40000118.2
425P45.8Very low29.4Very low119 Ų119131.1 Ų131.177%0.77382%0.819SS**  cis-126.2-150.4-2.645.5-27.7000111
426P47Very low29.8Very low123 Ų123134.6 Ų134.680%0.79982%0.823SS**  cis-132.7-170.5-8.341.6-21.8000116.1
427A26.3Very low30.2Very low108 Ų108134.7 Ų134.789%0.89383%0.826SS**  trans-101.8168.4-175.800000114.7
428G25.2Very low30.1Very low80 Ų80131.3 Ų131.383%0.82582%0.822SS**  trans-152.9149.6169.100000110.7
429A29.9Very low30.3Very low114 Ų114136.3 Ų136.394%0.94283%0.827SS**  trans-107.3165.8-16500000114.5
430G25.6Very low30.2Very low80 Ų80136.7 Ų136.783%0.82582%0.824SS**  trans162128.3167.400000113.4
431E27.9Very low29.7Very low171 Ų171137 Ų13780%0.79982%0.819SS**  trans-84.3151.2178.4-59170.594.900112.4
432E24.5Very low29.7Very low194 Ų194134.6 Ų134.691%0.90781%0.814SS**  -155.1150.5129.8-153.2165.6165.900111.3
433R25.4Very low29.8Very low214 Ų214132.4 Ų132.481%0.80881%0.805SS**  trans-104.3145.3-175.1-60177.8-177.6-178.40.3111
434V29.3Very low29.9Very low144 Ų144135.5 Ų135.587%0.87382%0.816SS**  trans-117.8130.3170.1-1800000109.7
435P32.3Very low29.8Very low116 Ų116138.6 Ų138.675%0.75382%0.818SS**PPolyproline II helixtrans-91.5160.7-175.335.9-35.5000114.1
436K33.3Very low28.9Very low201 Ų201138.1 Ų138.187%0.87482%0.823SS**PPolyproline II helixtrans-78.3157160.2-60178177-177.40110.4
437P34.3Very low27.7Very low127 Ų127136.1 Ų136.183%0.82583%0.826SS**PPolyproline II helixtrans-102.5142148.533.3-25.1000111.6
438G24.7Very low27.9Very low78 Ų78137 Ų13780%0.80483%0.825SS**  trans-112.5-176163.800000110.6
439E28.9Very low29.3Very low169 Ų169138.8 Ų138.879%0.7982%0.822SS**  trans-89.1-175.1-166.8-52.4169.2120.700114.6
440Q29.1Very low29.8Very low169 Ų169139.4 Ų139.479%0.7982%0.816SS**  trans80.4137.8156.4-70.9167.644.900117.5
441D27.9Very low29.9Very low139 Ų139139 Ų13974%0.74381%0.812SS**  cis-169.1-179.2-8.2-156.3-6.3000112.3
442L26.3Very low30Very low140 Ų140136.2 Ų136.273%0.73381%0.812SS**  trans91.897.1157.8-55.5-176.9000123.5
443S27.9Very low30.2Very low100 Ų100132.5 Ų132.570%0.69980%0.802SS**  32.6138.1124.266.40000125.1
444T25.8Very low30.2Very low141 Ų141131.2 Ų131.287%0.86581%0.805SS**  -171.8155.2127-74.40000111.6
445H28.1Very low30.4Very low184 Ų184131 Ų13185%0.85280%0.795SS**  trans-95.2164.6-163.8-75.2-93.7000118.7
446A26.5Very low30.7Very low108 Ų108131.5 Ų131.589%0.89380%0.798SS**  trans95.3130.1138.400000121.6
447G23.5Very low30.5Very low82 Ų82126.2 Ų126.285%0.84579%0.787SS**  trans166.9116.2164.500000113.8
448S29.3Very low31.4Very low127 Ų127126.6 Ų126.689%0.88879%0.789SS**  trans-118.5164.7176-91.40000111.9
449P56.1Low31.5Very low117 Ų117126.6 Ų126.676%0.7679%0.789SS**  trans-107-177.8-153.341.9-38.1000115.5
450P39.7Very low31.4Very low126 Ų126122.2 Ų122.282%0.81879%0.789SS**  trans-112.2162160.136.7-26000114.7
451G27.4Very low31.4Very low72 Ų72122.8 Ų122.874%0.74279%0.792SS**  trans-81.1-153.8179.100000114.8
452S29.8Very low31.3Very low113 Ų113122.1 Ų122.179%0.7979%0.788SS**  cis-172.6163.510.4340000108.4
453V28.3Very low31.4Very low115 Ų115120.4 Ų120.470%0.69779%0.788SS**  159.514396.6153.70000111.9
454E26.4Very low32.4Very low187 Ų187121.6 Ų121.687%0.87479%0.793SS**  trans51.7144.1153.3-71.9170.3111.800127.4
455E33.4Very low32.4Very low140 Ų140119.6 Ų119.665%0.65479%0.792SS**  trans-112.4171.2164.5-163-150.7142.600108.5S457E455-S457 WeakPolarHBondContact OE1-CB 3.32Å; E455-S457 PolarHBondContact OE1-N 3.31Å; E455-S457 PolarHBondContact OE1-OG 2.94Å
456P37.3Very low32.3Very low126 Ų126114.4 Ų114.482%0.81879%0.787SS**  -152.8155.1111.136.5-18.4000118.2
457S29.5Very low32.3Very low91 Ų91113.4 Ų113.464%0.63679%0.788SS**  trans-93-158.4165.6-71.90000110.7E455E455-S457 WeakPolarHBondContact OE1-CB 3.32Å; E455-S457 PolarHBondContact OE1-N 3.31Å; E455-S457 PolarHBondContact OE1-OG 2.94Å
458P54.5Low32.3Very low134 Ų134113.2 Ų113.287%0.8779%0.786SS**  cis-148.2-171.40.546.1-25.5000118.6
459G24.9Very low32.2Very low79 Ų79113.3 Ų113.381%0.81479%0.787SS**  trans167.9148.815600000110.3
460G28.7Very low30.7Very low77 Ų77115.6 Ų115.679%0.79479%0.791SS**  cis145.6130.3-2.100000109.3
461E27.3Very low29.9Very low180 Ų180114.7 Ų114.784%0.84179%0.787SS**  cis-125.5-153.86.1-54.5-177.4119.300109.9
462N27Very low29.7Very low125 Ų125117.6 Ų117.667%0.66879%0.79SS**  cis-153.4-1790.7-150.6-60.8000110.1
463S28.8Very low29.4Very low105 Ų105116.8 Ų116.873%0.73479%0.785SS**  trans-141.5-144.1-169.1-35.60000110.1
464P47.4Very low29Very low124 Ų124116.7 Ų116.781%0.80579%0.788SS**  cis-112.5-166-14.746.2-32.5000111
465A25.7Very low28.8Very low100 Ų100119.7 Ų119.783%0.82679%0.791SS**  cis-151.8168.63.100000108.8
466G26.2Very low28.2Very low74 Ų74116.3 Ų116.376%0.76379%0.794SS**  cis-179.3159.4-7.800000111.3
467G26.1Very low27.6Very low88 Ų88118.4 Ų118.491%0.90780%0.797SS**  trans70.7114.2170.100000116.5
468G25.1Very low27.3Very low77 Ų77118.6 Ų118.679%0.79480%0.804SS**  cis130.6138.31.400000112
469S26.5Very low25.8Very low130 Ų130123.5 Ų123.591%0.90981%0.805SS**  trans101.6116.6171.1-153.60000117.6
470L24.7Very low25.7Very low164 Ų164127.8 Ų127.886%0.85980%0.804SS**  trans-126.8140.9164.5-114.3163.6000105.5
471C23.5Very low25.5Very low108 Ų108129.2 Ų129.273%0.7380%0.802SS**  trans149.4137.3145-85.40000113.9
472T23.4Very low25.4Very low132 Ų132131.2 Ų131.281%0.8180%0.803SS**  trans58.2151.4148.551.50000120.1
473S21.9Very low25.4Very low97 Ų97130.1 Ų130.168%0.67881%0.812SS**  cis-167.9164.8-2154.20000108.8
474C20.3Very low25.2Very low113 Ų113128.6 Ų128.676%0.76481%0.813SS**  trans36.7133.8147.7-64.10000123.1
475R22.1Very low24.3Very low250 Ų250133.2 Ų133.294%0.94381%0.814SS**  trans58.9107148.8-66.2179.2168.9-140.2-2.1116.2
476G21.6Very low24.2Very low68 Ų68135.4 Ų135.470%0.70181%0.807SS**  110.5176.865.200000110.4
477L23.9Very low24.1Very low171 Ų171137.2 Ų137.290%0.89581%0.808SS**  trans73.9103.4-172.2-47.3179.4000112.8
478A22.9Very low24.2Very low94 Ų94136.9 Ų136.978%0.77780%0.797SS**  7312762.100000113
479W22.9Very low24.2Very low237 Ų237145.2 Ų145.290%0.89880%0.804SS**  trans-116.1124.9164.3-178.3-86.1000107.5
480E23.6Very low24.1Very low170 Ų170142.5 Ų142.579%0.79480%0.797SS**  trans-85.3165.5-174-71.2-171.5137.700113.6
481S24.2Very low24.2Very low106 Ų106141.6 Ų141.674%0.74179%0.793SS**  trans-61.5158.5-174.6-65.70000116
482Y25Very low24.2Very low222 Ų222143 Ų14387%0.87180%0.798SS**  trans-119.6163.7137.4-75.3-73.7000110.9
483A28.1Very low24.2Very low102 Ų102139.6 Ų139.684%0.84379%0.789SS**  trans-87.7146.5-151.500000116.3
484G25.3Very low24.4Very low74 Ų74141.8 Ų141.876%0.76380%0.799SS**  104.7117105.100000119.9
485R26.8Very low24.6Very low220 Ų220144 Ų14483%0.8380%0.798SS**  trans116.7121.4130.7-164.8178.2-96.9-89.65118
486E24.1Very low24.7Very low147 Ų147137.2 Ų137.269%0.68778%0.784SS**  trans61.5108.8150.9-74170.6128.800124
487S24.9Very low24.8Very low112 Ų112145.5 Ų145.578%0.78379%0.794SS**  86126105.3-152.20000122.5
488A26.6Very low24.9Very low80 Ų80140.6 Ų140.666%0.66178%0.778SS**  trans84.1119.9138.900000123.5
489R26.4Very low24.9Very low252 Ų252144.5 Ų144.595%0.95178%0.781SS**  trans70.7149.7136.3-68.4179.7179.3-126.92.9121.6
490G24.7Very low25.1Very low73 Ų73138.7 Ų138.775%0.75378%0.776SS**  trans94.7111.8161.300000112.9
491D25.5Very low25.1Very low146 Ų146140.2 Ų140.278%0.78178%0.783SS**  cis85.6129.337.6-16222.1000114.6
492T24.1Very low25.1Very low136 Ų136138.7 Ų138.783%0.83479%0.785SS**  trans53.8147.8177.846.70000118.2
493G24.3Very low25.1Very low61 Ų61138.5 Ų138.563%0.62979%0.788SS**  cis155.7167.9-1.300000109.9
494V25.8Very low24.9Very low144 Ų144143.9 Ų143.987%0.87379%0.787SS**  trans67.4151161.71780000116
495E24.7Very low24.9Very low160 Ų160146.5 Ų146.575%0.74879%0.792SS**  cis-177.9167.1-32.3-156.2-174.3-158.700106.7
496T23.4Very low25.1Very low107 Ų107143.8 Ų143.866%0.65679%0.789SS**  trans71.9112.6148.8-52.80000121.6
497R24.1Very low25.4Very low241 Ų241142.7 Ų142.791%0.90979%0.794SS**  30.6150.4121.1-97.9179.3166.2152.5-5.9120.5
498A24.8Very low25.6Very low68 Ų68143.2 Ų143.256%0.56280%0.798SS**  cis-165.7176.75.800000112
499E23.6Very low25.8Very low177 Ų177144 Ų14483%0.82781%0.805SS**  trans61.6118.5150.8-73.1157.2-162.100119.4
500S26.5Very low25.9Very low115 Ų115144 Ų14480%0.80481%0.805SS**  83.5112.962.3-770000115
501E25.1Very low26.3Very low201 Ų201145 Ų14594%0.93981%0.806SS**  -179.9148.1126.2-104.2-162.6160.800115.2
502G23.7Very low26.6Very low75 Ų75147.1 Ų147.177%0.77381%0.814SS**  trans80.6125.1155.100000118
503K25Very low26.7Very low217 Ų217144.3 Ų144.394%0.94381%0.812SS**  cis-165.6154.930.1-101.4177.4174.2174.60111.7
504R23.2Very low27Very low215 Ų215144.6 Ų144.681%0.81181%0.814SS**  trans-96.5133.3175.1-170.9-172.9-158.8-168.65.3110.9
505C25.6Very low27.7Very low130 Ų130144 Ų14488%0.87881%0.813SS**  trans-140.6132.2156.9-94.70000108.6
506E30.1Very low28.1Very low162 Ų162139.6 Ų139.676%0.75781%0.811SS**  trans-82.5155.8-179.5-59.1-176146.600112.2
507P30.6Very low28.8Very low124 Ų124141.1 Ų141.181%0.80582%0.82SS**  trans-123.7138.1152.334.7-23.3000112.6
508S30Very low29.5Very low123 Ų123139.5 Ų139.586%0.8682%0.82SS**  trans-86.7156.2171.9550000112.6
509A31.1Very low30.6Very low98 Ų98141.8 Ų141.881%0.8183%0.832SS**  trans-47.1141.3-164.500000119
510R29Very low32.2Very low251 Ų251135.9 Ų135.995%0.94782%0.818SS**  -148136.9128.7-113.7176.4-176.5-175.80.8111.1
511A33.1Very low34.6Very low94 Ų94138.9 Ų138.978%0.77782%0.82SS**  trans-90.8139.9-169.600000113.2
512M30.7Very low37.3Very low191 Ų191131.1 Ų131.194%0.94179%0.787SS**  trans-156.189135.9-87.8-51.8-78.400107
513G26.8Very low40.4Very low77 Ų77131.4 Ų131.479%0.79477%0.77SS**  trans-86.3114.7-178.100000112.1
514G31Very low43.4Very low66 Ų66123.3 Ų123.368%0.6874%0.74SS**  trans-78.7138.7148.400000108.6G516G514-G516 PolarHBondContact O-N 3.07Å
515P39.3Very low46.6Very low131 Ų131113.1 Ų113.185%0.85170%0.702SS**  trans-73.491.1-178.929.5-33.6000110.5T517P515-T517 PolarHBondContact O-N 3.44Å
516G33.3Very low49.6Very low68 Ų68110.7 Ų110.770%0.70168%0.684SS**  trans-64.2113162.400000109.1G514 K518G514-G516 PolarHBondContact O-N 3.07Å; G516-K518 PolarHBondContact O-N 3.38Å; G516-K518 VanDerWaalsContact O-N 3.13Å
517T37.2Very low52.4Low140 Ų140104 Ų10486%0.85965%0.654SS**  trans-62113.2173.135.20000109.1P515 S519P515-T517 PolarHBondContact O-N 3.44Å; T517-S519 PolarHBondContact O-N 3.31Å; T517-S519 VanDerWaalsContact O-N 3.12Å
518K40.4Very low55.3Low207 Ų207102.2 Ų102.290%0.964%0.637SS**  trans-63.2113.7172.1-65.5-178.6177.9-177.60107.9G516 G520G516-K518 PolarHBondContact O-N 3.38Å; G516-K518 VanDerWaalsContact O-N 3.13Å; K518-G520 PolarHBondContact O-N 3.24Å
519S47.1Very low58.3Low115 Ų11596.9 Ų96.980%0.80460%0.599SS**  trans-63.7103.6167.3178.30000108.2T517T517-S519 PolarHBondContact O-N 3.31Å; T517-S519 VanDerWaalsContact O-N 3.12Å
520G58.2Low61.2Low53 Ų5396.8 Ų96.855%0.54659%0.586SS.*PPolyproline II helixtrans-64.3152.6169.500000111K518K518-G520 PolarHBondContact O-N 3.24Å
521E75.8Confident64.3Low178 Ų17886.1 Ų86.183%0.83255%0.546SS*.PPolyproline II helixtrans-63.6143.8167.7-68.3178.7155.900109.6L523E521-L523 PolarHBondContact O-N 3.46Å
522P81.8Confident67.1Low38 Ų3886.4 Ų86.425%0.24754%0.535CS..PPolyproline II helixtrans-69.9132.7-177.229.7-34.7000110.9V569P522-V569 WeakPolarHBondContact CA-O 3.23Å; P522-V569 HydrophobicContact CB-CG1 4.19Å
523L88.4Confident70Confident82 Ų8283.7 Ų83.743%0.42952%0.518SS..BIsolated β-bridgetrans-86.7149.2-178.6-60.7176.2000111.8E521 P525 L568 V569 Y570 S571E521-L523 PolarHBondContact O-N 3.46Å; L523-P525 WeakPolarHBondContact O-CD 3.43Å; L523-L568 HydrophobicContact CD1-CD1 4.12Å; L523-L568 HydrophobicContact CD1-CD2 4.11Å; L523-V569 PolarHBondContact N-O 2.82Å; L523-Y570 HydrophobicContact CB-CD1 3.87Å; L523-Y570 HydrophobicContact CB-CE1 3.94Å; L523-Y570 HydrophobicContact CD1-CE1 4.44Å; L523-Y570 VanDerWaalsContact O-CA 3.23Å; L523-Y570 WeakPolarHBondContact O-CA 3.41Å; L523-Y570 WeakPolarHBondContact O-CD1 3.5Å; L523-S571 PolarHBondContact O-N 2.89Å
524C88.6Confident73.2Confident46 Ų4685.8 Ų85.831%0.31151%0.507SS..PPolyproline II helixtrans-72.4121.9166.2-1250000109.4Y615 V617C524-Y615 VanDerWaalsContact SG-CZ 3.51Å; C524-Y615 PolarHBondContact SG-OH 3.43Å; C524-V617 HydrophobicContact CB-CG2 3.6Å; C524-V617 VanDerWaalsContact SG-CG2 3.54Å; C524-V617 PolarHBondContact SG-N 3.42Å; C524-V617 VanDerWaalsContact SG-N 3.39Å
525P90.9Very high76.3Confident2 Ų283.8 Ų83.81%0.01348%0.482CS..PPolyproline II helixtrans-78.7150.3176.832.2-33.2000111.3L523 L527 I540 V542 F563 Y570 F572 Y615L523-P525 WeakPolarHBondContact O-CD 3.43Å; P525-L527 PolarHBondContact O-N 2.82Å; P525-I540 HydrophobicContact CB-CG2 4.07Å; P525-I540 HydrophobicContact CG-CG2 4.41Å; P525-V542 HydrophobicContact CB-CG2 3.57Å; P525-F563 HydrophobicContact CB-CE1 4.42Å; P525-F563 HydrophobicContact CB-CZ 3.93Å; P525-F563 HydrophobicContact CG-CE1 4.1Å; P525-F563 HydrophobicContact CG-CZ 4.12Å; P525-Y570 HydrophobicContact CB-CD1 3.7Å; P525-Y570 HydrophobicContact CB-CE1 4.32Å; P525-Y570 HydrophobicContact CB-CG 4.28Å; P525-Y570 HydrophobicContact CG-CD1 4.44Å; P525-F572 HydrophobicContact CG-CD1 3.63Å; P525-F572 HydrophobicContact CG-CE1 4.28Å; P525-Y615 PolarHBondContact O-OH 2.88Å
526P88.1Confident78.9Confident78 Ų7877.6 Ų77.651%0.50644%0.441SS..  trans-60115.6170-23.234.6000110.7Q541P526-Q541 HydrophobicContact CB-CB 4.41Å; P526-Q541 PolarHBondContact O-N 3.49Å
527L89.6Confident81.9Confident22 Ų2276.2 Ų76.212%0.11542%0.42CS..EExtended strand (participates in β ladder)trans-121133.8-175179.467.1000110.6P525 L538 I540 F572 L574 W613 Y615P525-L527 PolarHBondContact O-N 2.82Å; L527-L538 HydrophobicContact CD1-CB 3.98Å; L527-L538 HydrophobicContact CD1-CD2 4.38Å; L527-L538 HydrophobicContact CD2-CD2 4.48Å; L527-I540 HydrophobicContact CD1-CG1 3.82Å; L527-F572 HydrophobicContact CD2-CD2 4.33Å; L527-F572 HydrophobicContact CD2-CE2 4.2Å; L527-F572 HydrophobicContact CD2-CZ 4.38Å; L527-L574 HydrophobicContact CD2-CD1 4.46Å; L527-L574 HydrophobicContact CD2-CD2 3.88Å; L527-L574 HydrophobicContact CD2-CG 4.46Å; L527-W613 HydrophobicContact CD2-CZ3 4.13Å; L527-Y615 HydrophobicContact CB-CE2 3.91Å; L527-Y615 HydrophobicContact CD2-CD2 3.53Å; L527-Y615 HydrophobicContact CD2-CE2 3.34Å; L527-Y615 HydrophobicContact CD2-CG 4.46Å; L527-Y615 HydrophobicContact CG-CE2 4.25Å
528L90.9Very high84.7Confident86 Ų8669.6 Ų69.645%0.4538%0.379SS..EExtended strand (participates in β ladder)trans-113.8132.2164.9-66.8167.3000108.7L538 L539L528-L538 WeakPolarHBondContact O-CA 3.47Å; L528-L539 HydrophobicContact CB-CB 4.32Å; L528-L539 HydrophobicContact CD1-CD2 4.26Å; L528-L539 PolarHBondContact N-O 2.73Å; L528-L539 PolarHBondContact O-N 3.2Å
529C93.3Very high87.3Confident11 Ų1161.7 Ų61.77%0.07435%0.346CS..EExtended strand (participates in β ladder)trans-113.9113176.1-172.30000109L538 W613 F627C529-L538 HydrophobicContact CB-CD2 3.92Å; C529-L538 VanDerWaalsContact SG-CD2 3.52Å; C529-W613 HydrophobicContact CB-CD2 3.98Å; C529-W613 HydrophobicContact CB-CE3 4.02Å; C529-W613 HydrophobicContact CB-CH2 3.5Å; C529-W613 HydrophobicContact CB-CZ2 3.45Å; C529-W613 VanDerWaalsContact CB-CZ2 3.45Å; C529-W613 HydrophobicContact CB-CZ3 3.77Å; C529-F627 HydrophobicContact CB-CE1 4.3Å
530N92.4Very high89.5Confident97 Ų9756.2 Ų56.252%0.51931%0.308SS..EExtended strand (participates in β ladder)trans-105.6161.1173.1-64.6-24.9000109.3L536 T537N530-L536 CarbonylContact O-C 3.54Å; N530-L536 WeakPolarHBondContact O-CA 3.38Å; N530-T537 PolarHBondContact N-O 3Å; N530-T537 PolarHBondContact O-N 2.85Å
531Q94.3Very high91.1Very high26 Ų2658.7 Ų58.712%0.12131%0.305CS..EExtended strand (participates in β ladder)trans-142.7143.3178.962.3166.5-23.700113.3L536 W610 F627Q531-L536 HydrophobicContact CB-CD2 3.5Å; Q531-L536 VanDerWaalsContact CB-CD2 3.5Å; Q531-W610 PolarHBondContact NE2-O 3.42Å; Q531-F627 HydrophobicContact CB-CD1 4.43Å; Q531-F627 HydrophobicContact CB-CE1 4.11Å; Q531-F627 HydrophobicContact CG-CD1 3.78Å; Q531-F627 HydrophobicContact CG-CE1 3.97Å; Q531-F627 HydrophobicContact CG-CG 4.21Å; Q531-F627 VanDerWaalsContact NE2-CB 3.25Å
532D91.5Very high91.8Very high101 Ų10150.3 Ų50.354%0.5427%0.266SS..  trans-108.3-173.7161.8-73.9-43.2000109.3E534 T535 K602D532-E534 VanDerWaalsContact C-N 3.25Å; D532-E534 PolarHBondContact O-N 2.98Å; D532-T535 PolarHBondContact N-O 2.69Å; D532-K602 PolarHBondContact O-NZ 3.08Å
533K91.9Very high92.2Very high134 Ų13452 Ų5258%0.58328%0.277SS*.SBendtrans-66-27.1-179.9-68.1178.3-179.8173.60113.2H607 G608K533-H607 CarbonylContact O-C 3.32Å; K533-H607 WeakPolarHBondContact O-CA 3.22Å; K533-G608 PolarHBondContact O-N 2.86Å
534E93.7Very high92.2Very high120 Ų12056.1 Ų56.156%0.56129%0.287SS*.SBendtrans-118.7-15.7-171-54.5-172.9171.100113.3D532 K602D532-E534 VanDerWaalsContact C-N 3.25Å; D532-E534 PolarHBondContact O-N 2.98Å; E534-K602 WeakPolarHBondContact O-CB 3.27Å; E534-K602 PolarHBondContact O-N 2.82Å
535T94.9Very high92.3Very high25 Ų2554.5 Ų54.515%0.15328%0.275CS..EExtended strand (participates in β ladder)trans-140.5159.7-175.365.50000112.9D532 E599 L600D532-T535 PolarHBondContact N-O 2.69Å; T535-E599 HydrophobicContact CG2-CG 4.29Å; T535-E599 WeakPolarHBondContact CG2-OE1 3.08Å; T535-L600 CarbonylContact C-O 3.56Å; T535-L600 VanDerWaalsContact CA-O 3.32Å; T535-L600 WeakPolarHBondContact CA-O 2.99Å
536L95.6Very high92.3Very high0 Ų057.4 Ų57.40%029%0.289CS..EExtended strand (participates in β ladder)trans-109.8135.1163.3-56.7-178.3000109.1N530 Q531 F576 L582 E599 L600 W610 F627N530-L536 CarbonylContact O-C 3.54Å; N530-L536 WeakPolarHBondContact O-CA 3.38Å; Q531-L536 HydrophobicContact CB-CD2 3.5Å; Q531-L536 VanDerWaalsContact CB-CD2 3.5Å; L536-F576 HydrophobicContact CD1-CD1 4.43Å; L536-F576 HydrophobicContact CD1-CE1 3.51Å; L536-F576 HydrophobicContact CD1-CE2 4.42Å; L536-F576 HydrophobicContact CD1-CZ 3.5Å; L536-L582 HydrophobicContact CD1-CD2 4.01Å; L536-E599 WeakPolarHBondContact O-CA 3.44Å; L536-L600 HydrophobicContact CB-CB 4.32Å; L536-L600 PolarHBondContact N-O 3.29Å; L536-L600 PolarHBondContact O-N 2.87Å; L536-W610 HydrophobicContact CD1-CE3 4.14Å; L536-W610 HydrophobicContact CD1-CH2 4.47Å; L536-W610 HydrophobicContact CD1-CZ3 3.71Å; L536-W610 HydrophobicContact CD2-CE3 4.15Å; L536-W610 HydrophobicContact CD2-CZ3 4.41Å; L536-W610 HydrophobicContact CG-CZ3 4.33Å; L536-F627 HydrophobicContact CD2-CZ 4.04Å
537T95.8Very high92.3Very high40 Ų4057.4 Ų57.425%0.24529%0.289CS..EExtended strand (participates in β ladder)trans-110.9112.2174.7-63.10000110.1N530 V597N530-T537 PolarHBondContact N-O 3Å; N530-T537 PolarHBondContact O-N 2.85Å; T537-V597 HydrophobicContact CG2-CG1 3.78Å
538L95.1Very high92.2Very high0 Ų063.7 Ų63.70%032%0.317CS..EExtended strand (participates in β ladder)trans-94119.2176.8-58.2-178.4000110.1L527 L528 C529 Y559 F572 L574 V597 I598 L600L527-L538 HydrophobicContact CD1-CB 3.98Å; L527-L538 HydrophobicContact CD1-CD2 4.38Å; L527-L538 HydrophobicContact CD2-CD2 4.48Å; L528-L538 WeakPolarHBondContact O-CA 3.47Å; C529-L538 HydrophobicContact CB-CD2 3.92Å; C529-L538 VanDerWaalsContact SG-CD2 3.52Å; L538-Y559 HydrophobicContact CD1-CD1 3.94Å; L538-Y559 HydrophobicContact CD1-CE1 4.12Å; L538-F572 HydrophobicContact CD1-CE2 4.43Å; L538-F572 HydrophobicContact CD1-CZ 4.32Å; L538-L574 HydrophobicContact CD1-CD1 3.46Å; L538-L574 VanDerWaalsContact CD1-CD1 3.46Å; L538-L574 HydrophobicContact CD2-CD1 3.63Å; L538-L574 HydrophobicContact CG-CD1 4.19Å; L538-V597 CarbonylContact O-C 3.57Å; L538-V597 VanDerWaalsContact O-CA 3.29Å; L538-V597 WeakPolarHBondContact O-CA 3.34Å; L538-I598 HydrophobicContact CB-CB 4.12Å; L538-I598 WeakPolarHBondContact CB-O 3.43Å; L538-I598 HydrophobicContact CD1-CB 4.33Å; L538-I598 HydrophobicContact CD1-CG2 4.39Å; L538-I598 PolarHBondContact N-O 3.02Å; L538-I598 PolarHBondContact O-N 3.26Å; L538-L600 HydrophobicContact CD1-CD1 3.73Å; L538-L600 HydrophobicContact CD1-CG 4.22Å; L538-L600 HydrophobicContact CG-CD1 4.32Å
539L94.8Very high92.3Very high42 Ų4261 Ų6122%0.2231%0.306CS..EExtended strand (participates in β ladder)trans-107.2109.8174.5173.161.8000110.2L528 Q541 N595 V597L528-L539 HydrophobicContact CB-CB 4.32Å; L528-L539 HydrophobicContact CD1-CD2 4.26Å; L528-L539 PolarHBondContact N-O 2.73Å; L528-L539 PolarHBondContact O-N 3.2Å; L539-Q541 HydrophobicContact CD2-CG 4.49Å; L539-Q541 HydrophobicContact CG-CG 4.15Å; L539-N595 HydrophobicContact CD1-CB 4.12Å; L539-N595 WeakPolarHBondContact CD1-ND2 3.33Å; L539-V597 HydrophobicContact CD1-CG2 4.03Å
540I94.2Very high92.1Very high0 Ų062.1 Ų62.10%031%0.311CS..EExtended strand (participates in β ladder)trans-96.1111.1179.2-60.4164000108.5P525 L527 V542 I545 L561 F563 F572 N595 A596 I598P525-I540 HydrophobicContact CB-CG2 4.07Å; P525-I540 HydrophobicContact CG-CG2 4.41Å; L527-I540 HydrophobicContact CD1-CG1 3.82Å; I540-V542 VanDerWaalsContact C-N 3.3Å; I540-V542 HydrophobicContact CG2-CB 4.23Å; I540-V542 HydrophobicContact CG2-CG2 3.98Å; I540-V542 PolarHBondContact O-N 3.49Å; I540-V542 VanDerWaalsContact O-N 3.13Å; I540-I545 HydrophobicContact CG2-CD1 4.33Å; I540-L561 HydrophobicContact CD1-CD2 3.48Å; I540-L561 VanDerWaalsContact CD1-CD2 3.48Å; I540-F563 HydrophobicContact CD1-CE1 4.39Å; I540-F563 HydrophobicContact CG2-CE1 4.05Å; I540-F563 HydrophobicContact CG2-CZ 3.66Å; I540-F572 HydrophobicContact CD1-CE1 3.76Å; I540-F572 HydrophobicContact CD1-CZ 4.19Å; I540-F572 HydrophobicContact CG1-CE1 4.13Å; I540-N595 CarbonylContact O-C 3.48Å; I540-N595 VanDerWaalsContact O-CA 3.24Å; I540-N595 WeakPolarHBondContact O-CA 3.12Å; I540-N595 VanDerWaalsContact O-CB 3.32Å; I540-N595 WeakPolarHBondContact O-CB 3.27Å; I540-A596 HydrophobicContact CB-CB 4.36Å; I540-A596 HydrophobicContact CD1-CB 4.43Å; I540-A596 PolarHBondContact N-O 2.86Å; I540-A596 PolarHBondContact O-N 2.97Å; I540-I598 HydrophobicContact CD1-CD1 3.73Å; I540-I598 HydrophobicContact CD1-CG1 4.32Å
541Q90.8Very high92Very high104 Ų10463.9 Ų63.949%0.48632%0.316SS..  trans-90.859.2-176.2-61.4-172.8-8.800112P526 L539P526-Q541 HydrophobicContact CB-CB 4.41Å; P526-Q541 PolarHBondContact O-N 3.49Å; L539-Q541 HydrophobicContact CD2-CG 4.49Å; L539-Q541 HydrophobicContact CG-CG 4.15Å
542V91.1Very high91.8Very high3 Ų364.6 Ų64.62%0.01833%0.33CS..  trans-119.5124.1176.2-179.40000110.2P525 I540 I545 F563 T565 Y570 N594P525-V542 HydrophobicContact CB-CG2 3.57Å; I540-V542 VanDerWaalsContact C-N 3.3Å; I540-V542 HydrophobicContact CG2-CB 4.23Å; I540-V542 HydrophobicContact CG2-CG2 3.98Å; I540-V542 PolarHBondContact O-N 3.49Å; I540-V542 VanDerWaalsContact O-N 3.13Å; V542-I545 HydrophobicContact CB-CD1 4.27Å; V542-I545 HydrophobicContact CB-CG1 4.22Å; V542-I545 HydrophobicContact CG1-CG1 4.26Å; V542-I545 WeakPolarHBondContact O-CD1 3.34Å; V542-I545 WeakPolarHBondContact O-CG1 3.43Å; V542-F563 HydrophobicContact CB-CE2 4.13Å; V542-F563 HydrophobicContact CB-CZ 4.29Å; V542-F563 HydrophobicContact CG1-CE2 4.04Å; V542-F563 HydrophobicContact CG2-CE2 4.36Å; V542-F563 HydrophobicContact CG2-CZ 4.12Å; V542-T565 HydrophobicContact CG1-CG2 3.49Å; V542-T565 VanDerWaalsContact CG1-CG2 3.49Å; V542-Y570 HydrophobicContact CG1-CD2 4.25Å; V542-Y570 HydrophobicContact CG1-CE2 3.73Å; V542-Y570 HydrophobicContact CG2-CD1 4.47Å; V542-Y570 HydrophobicContact CG2-CE1 4.22Å; V542-N594 CarbonylContact C-O 3.51Å; V542-N594 CarbonylContact O-C 3.51Å
543P90.2Very high91.9Very high73 Ų7364 Ų6447%0.47433%0.327SS..THydrogen-bonded Turntrans-79.7155177.533-35.6000112.4I545 T565P543-I545 VanDerWaalsContact C-N 3.32Å; P543-I545 PolarHBondContact O-N 2.88Å; P543-T565 WeakPolarHBondContact O-CG2 3.41Å
544R88.9Confident91.9Very high168 Ų16859.9 Ų59.963%0.63431%0.311SS*.THydrogen-bonded Turntrans55.639.6176.5-48.7-177.2-168.3166.27.1114.4Q546 T565 S593R544-Q546 PolarHBondContact O-N 3.17Å; R544-T565 WeakPolarHBondContact O-CA 3.23Å; R544-S593 PolarHBondContact N-O 3.01Å
545I91.5Very high91.9Very high12 Ų1256.7 Ų56.76%0.06230%0.298CS..  trans-58.4132.2168.2-63.8168.6000108.5I540 V542 P543 P547 L550 F563 I591 A596I540-I545 HydrophobicContact CG2-CD1 4.33Å; V542-I545 HydrophobicContact CB-CD1 4.27Å; V542-I545 HydrophobicContact CB-CG1 4.22Å; V542-I545 HydrophobicContact CG1-CG1 4.26Å; V542-I545 WeakPolarHBondContact O-CD1 3.34Å; V542-I545 WeakPolarHBondContact O-CG1 3.43Å; P543-I545 VanDerWaalsContact C-N 3.32Å; P543-I545 PolarHBondContact O-N 2.88Å; I545-P547 VanDerWaalsContact O-CD 3.32Å; I545-P547 WeakPolarHBondContact O-CD 3.43Å; I545-L550 HydrophobicContact CG2-CD1 4.39Å; I545-F563 HydrophobicContact CB-CD2 4.45Å; I545-F563 HydrophobicContact CD1-CD2 4.45Å; I545-F563 HydrophobicContact CD1-CE2 4.08Å; I545-F563 HydrophobicContact CD1-CZ 4.48Å; I545-F563 HydrophobicContact CG1-CD2 3.95Å; I545-F563 HydrophobicContact CG1-CE2 3.76Å; I545-F563 HydrophobicContact CG2-CB 4.42Å; I545-F563 HydrophobicContact CG2-CD2 3.91Å; I545-F563 HydrophobicContact CG2-CG 4.35Å; I545-I591 HydrophobicContact CB-CG2 4.21Å; I545-I591 HydrophobicContact CG2-CG2 4.36Å; I545-A596 HydrophobicContact CD1-CB 3.57Å
546Q90.2Very high91.7Very high64 Ų6457.9 Ų57.930%0.29931%0.306SS..  trans-83.3111.5173.2-63.5-167.542.800109.4R544 Q548 S549 S564 T565R544-Q546 PolarHBondContact O-N 3.17Å; Q546-Q548 VanDerWaalsContact C-N 3.28Å; Q546-Q548 PolarHBondContact O-N 3.24Å; Q546-S549 WeakPolarHBondContact O-CB 3.28Å; Q546-S549 PolarHBondContact O-N 3.12Å; Q546-S549 PolarHBondContact O-OG 3.44Å; Q546-S564 WeakPolarHBondContact CB-O 3.45Å; Q546-S564 PolarHBondContact N-O 3.4Å; Q546-T565 PolarHBondContact NE2-O 3.14Å
547P88Confident91.5Very high78 Ų7860.7 Ų60.751%0.50632%0.321SS..G310 helixtrans-56.4-40.5-175-28.437.8000113.5I545 S549 L550 I591I545-P547 VanDerWaalsContact O-CD 3.32Å; I545-P547 WeakPolarHBondContact O-CD 3.43Å; P547-S549 PolarHBondContact O-N 2.82Å; P547-S549 VanDerWaalsContact O-N 3.14Å; P547-L550 WeakPolarHBondContact O-CB 3.31Å; P547-L550 PolarHBondContact O-N 2.88Å; P547-I591 HydrophobicContact CB-CD1 3.84Å; P547-I591 HydrophobicContact CG-CD1 4.12Å
548Q88.1Confident91.4Very high153 Ų15362 Ų6272%0.71532%0.321SS*.G310 helixtrans-66.8-9.3178.268.3-81.94.800115.1Q546Q546-Q548 VanDerWaalsContact C-N 3.28Å; Q546-Q548 PolarHBondContact O-N 3.24Å
549S91.4Very high91.4Very high31 Ų3162 Ų6222%0.21732%0.321CS..G310 helixtrans-95-9.1178.273.70000113.6Q546 P547 Q551 S564Q546-S549 WeakPolarHBondContact O-CB 3.28Å; Q546-S549 PolarHBondContact O-N 3.12Å; Q546-S549 PolarHBondContact O-OG 3.44Å; P547-S549 PolarHBondContact O-N 2.82Å; P547-S549 VanDerWaalsContact O-N 3.14Å; S549-Q551 PolarHBondContact O-N 3.36Å; S549-S564 WeakPolarHBondContact CB-OG 3.27Å; S549-S564 PolarHBondContact OG-N 2.81Å; S549-S564 PolarHBondContact OG-O 2.88Å; S549-S564 PolarHBondContact OG-OG 2.93Å
550L90.1Very high91.3Very high34 Ų3463.6 Ų63.618%0.17833%0.326CS..  trans-82.3114.1-167.5-163.4152.3000110I545 P547 L561 R562 F563 I589 I591I545-L550 HydrophobicContact CG2-CD1 4.39Å; P547-L550 WeakPolarHBondContact O-CB 3.31Å; P547-L550 PolarHBondContact O-N 2.88Å; L550-L561 HydrophobicContact CD2-CD1 3.5Å; L550-L561 HydrophobicContact CG-CD1 3.97Å; L550-R562 WeakPolarHBondContact CA-O 3.43Å; L550-F563 HydrophobicContact CB-CB 4.32Å; L550-F563 HydrophobicContact CG-CB 4.28Å; L550-I589 HydrophobicContact CD1-CG2 4.15Å; L550-I589 HydrophobicContact CD2-CD1 3.57Å; L550-I589 HydrophobicContact CD2-CG2 4.37Å; L550-I591 HydrophobicContact CD1-CD1 3.81Å; L550-I591 HydrophobicContact CD1-CG1 4.42Å
551Q89.8Confident91.3Very high134 Ų13463.6 Ų63.663%0.62633%0.326SS*.EExtended strand (participates in β ladder)trans-122.9108.9-178.2-173.8175.919.300109S549 R562S549-Q551 PolarHBondContact O-N 3.36Å; Q551-R562 PolarHBondContact N-O 2.64Å; Q551-R562 PolarHBondContact O-N 3.39Å
552G91.4Very high91.5Very high41 Ų4164.6 Ų64.642%0.42333%0.326SS..EExtended strand (participates in β ladder)trans-100.2143.7172.200000111.7K560G552-K560 CarbonylContact C-O 3.56Å; G552-K560 WeakPolarHBondContact CA-O 3.49Å
553D91.9Very high91.6Very high88 Ų8864.6 Ų64.647%0.47133%0.326SS..EExtended strand (participates in β ladder)trans-130.7120.7172.9-174.310.9000107.6W558 Y559 K560D553-W558 HydrophobicContact CB-CZ3 4.15Å; D553-W558 WeakPolarHBondContact OD2-CH2 3.36Å; D553-Y559 WeakPolarHBondContact O-CD2 3.36Å; D553-K560 HydrophobicContact CB-CB 4.32Å; D553-K560 PolarHBondContact N-O 3.36Å; D553-K560 PolarHBondContact O-N 3Å
554L93.1Very high91.7Very high47 Ų4762.3 Ų62.325%0.24631%0.311CS..EExtended strand (participates in β ladder)trans-117.7129.1-167176.765.6000110.7Y559 L582 T585 P587 L600L554-Y559 HydrophobicContact CB-CD2 4.03Å; L554-Y559 HydrophobicContact CB-CE2 4.35Å; L554-Y559 HydrophobicContact CD1-CD2 3.8Å; L554-Y559 HydrophobicContact CD1-CG 4.47Å; L554-L582 HydrophobicContact CD1-CB 4.3Å; L554-L582 HydrophobicContact CD1-CD1 3.6Å; L554-T585 WeakPolarHBondContact CD2-O 3.48Å; L554-P587 HydrophobicContact CD2-CG 4.15Å; L554-L600 HydrophobicContact CD1-CD2 4.32Å
555N92.5Very high91.8Very high54 Ų5455 Ų5529%0.28929%0.286SS..EExtended strand (participates in β ladder)trans-130.4153.1174.8-171.8-84000109.6L557 W558N555-L557 PolarHBondContact O-N 3.14Å; N555-L557 PolarHBondContact OD1-N 3.43Å; N555-L557 VanDerWaalsContact OD1-N 3.08Å; N555-W558 CarbonylContact C-O 3.57Å; N555-W558 WeakPolarHBondContact CA-O 3.21Å; N555-W558 HydrophobicContact CB-CD2 3.4Å; N555-W558 HydrophobicContact CB-CE3 3.9Å; N555-W558 HydrophobicContact CB-CG 3.76Å; N555-W558 HydrophobicContact CB-CH2 4.08Å; N555-W558 HydrophobicContact CB-CZ2 3.62Å; N555-W558 HydrophobicContact CB-CZ3 4.21Å; N555-W558 WeakPolarHBondContact CB-O 3.21Å; N555-W558 VanDerWaalsContact CG-NE1 3.28Å; N555-W558 PolarHBondContact N-O 3.4Å; N555-W558 PolarHBondContact O-N 2.99Å; N555-W558 PolarHBondContact OD1-NE1 3.43Å
556P91.6Very high91.4Very high49 Ų4960.4 Ų60.432%0.31831%0.31SS..THydrogen-bonded Turntrans-54-23.4174.4-30.437.3000115.4K581 L582 T584P556-K581 CarbonylContact O-C 3.53Å; P556-K581 WeakPolarHBondContact O-CA 3.39Å; P556-L582 PolarHBondContact O-N 3.38Å; P556-T584 HydrophobicContact CG-CG2 4.35Å
557L92.1Very high91.1Very high59 Ų5964.2 Ų64.231%0.30933%0.333SS..THydrogen-bonded Turntrans-113.3-5.1-179.9-64.3177.8000114.9N555 F576 K581N555-L557 PolarHBondContact O-N 3.14Å; N555-L557 PolarHBondContact OD1-N 3.43Å; N555-L557 VanDerWaalsContact OD1-N 3.08Å; L557-F576 PolarHBondContact O-N 2.81Å; L557-K581 HydrophobicContact CD2-CG 3.97Å
558W93.1Very high91.2Very high67 Ų6764.4 Ų64.425%0.25433%0.329SS..EExtended strand (participates in β ladder)trans-157.3154.8-17755.4-98.6000112.8D553 N555 K560 F573 L574 Q575D553-W558 HydrophobicContact CB-CZ3 4.15Å; D553-W558 WeakPolarHBondContact OD2-CH2 3.36Å; N555-W558 CarbonylContact C-O 3.57Å; N555-W558 WeakPolarHBondContact CA-O 3.21Å; N555-W558 HydrophobicContact CB-CD2 3.4Å; N555-W558 HydrophobicContact CB-CE3 3.9Å; N555-W558 HydrophobicContact CB-CG 3.76Å; N555-W558 HydrophobicContact CB-CH2 4.08Å; N555-W558 HydrophobicContact CB-CZ2 3.62Å; N555-W558 HydrophobicContact CB-CZ3 4.21Å; N555-W558 WeakPolarHBondContact CB-O 3.21Å; N555-W558 VanDerWaalsContact CG-NE1 3.28Å; N555-W558 PolarHBondContact N-O 3.4Å; N555-W558 PolarHBondContact O-N 2.99Å; N555-W558 PolarHBondContact OD1-NE1 3.43Å; W558-K560 HydrophobicContact CE3-CB 4.25Å; W558-K560 HydrophobicContact CZ3-CB 4.07Å; W558-F573 HydrophobicContact CB-CE1 3.82Å; W558-F573 HydrophobicContact CB-CE2 4.29Å; W558-F573 HydrophobicContact CB-CZ 3.58Å; W558-F573 AromaticContact CD2-CE2 3.79Å; W558-F573 HydrophobicContact CD2-CE2 3.79Å; W558-F573 AromaticContact CD2-CZ 3.6Å; W558-F573 HydrophobicContact CD2-CZ 3.6Å; W558-F573 AromaticContact CE3-CE2 3.57Å; W558-F573 HydrophobicContact CE3-CE2 3.57Å; W558-F573 AromaticContact CE3-CZ 3.9Å; W558-F573 HydrophobicContact CE3-CZ 3.9Å; W558-F573 HydrophobicContact CG-CE1 4.19Å; W558-F573 HydrophobicContact CG-CE2 4.14Å; W558-F573 AromaticContact CG-CZ 3.49Å; W558-F573 HydrophobicContact CG-CZ 3.49Å; W558-F573 VanDerWaalsContact CG-CZ 3.49Å; W558-F573 HydrophobicContact CZ3-CE2 4.2Å; W558-L574 CarbonylContact C-O 3.6Å; W558-L574 WeakPolarHBondContact CA-O 3.35Å; W558-L574 WeakPolarHBondContact CB-O 3.41Å; W558-Q575 HydrophobicContact CB-CB 4.49Å
559Y94.6Very high91.4Very high1 Ų159.4 Ų59.40%0.00431%0.309CS..EExtended strand (participates in β ladder)trans-132.3125.2172.8-179.9-113.8000109.9L538 D553 L554 L561 F572 L574 P587 I598 L600L538-Y559 HydrophobicContact CD1-CD1 3.94Å; L538-Y559 HydrophobicContact CD1-CE1 4.12Å; D553-Y559 WeakPolarHBondContact O-CD2 3.36Å; L554-Y559 HydrophobicContact CB-CD2 4.03Å; L554-Y559 HydrophobicContact CB-CE2 4.35Å; L554-Y559 HydrophobicContact CD1-CD2 3.8Å; L554-Y559 HydrophobicContact CD1-CG 4.47Å; Y559-L561 HydrophobicContact CE1-CB 4.01Å; Y559-L561 HydrophobicContact CE1-CD1 4.37Å; Y559-L561 WeakPolarHBondContact OH-CD1 3.18Å; Y559-F572 HydrophobicContact CD1-CE2 4.12Å; Y559-F572 HydrophobicContact CD1-CZ 4.5Å; Y559-F572 HydrophobicContact CE1-CE2 4.42Å; Y559-F572 HydrophobicContact CE1-CZ 4.36Å; Y559-L574 HydrophobicContact CD1-CD1 4.25Å; Y559-L574 PolarHBondContact N-O 2.96Å; Y559-L574 PolarHBondContact O-N 3.45Å; Y559-P587 HydrophobicContact CE2-CG 3.74Å; Y559-I598 HydrophobicContact CE1-CD1 4.23Å; Y559-I598 HydrophobicContact CE1-CG2 4.19Å; Y559-L600 HydrophobicContact CD1-CD1 3.98Å; Y559-L600 HydrophobicContact CD1-CD2 4.23Å; Y559-L600 HydrophobicContact CD2-CD2 4.05Å; Y559-L600 HydrophobicContact CE1-CD2 4.31Å; Y559-L600 HydrophobicContact CE2-CD2 4.14Å; Y559-L600 HydrophobicContact CG-CD1 3.97Å; Y559-L600 HydrophobicContact CG-CD2 4.08Å
560K93.4Very high91.5Very high75 Ų7559.5 Ų59.533%0.32631%0.305SS..EExtended strand (participates in β ladder)trans-111.2132.1177.4-173.2174.3-172.8165.50109.5G552 D553 W558 F572 F573G552-K560 CarbonylContact C-O 3.56Å; G552-K560 WeakPolarHBondContact CA-O 3.49Å; D553-K560 HydrophobicContact CB-CB 4.32Å; D553-K560 PolarHBondContact N-O 3.36Å; D553-K560 PolarHBondContact O-N 3Å; W558-K560 HydrophobicContact CE3-CB 4.25Å; W558-K560 HydrophobicContact CZ3-CB 4.07Å; K560-F572 WeakPolarHBondContact CA-O 3.4Å; K560-F573 HydrophobicContact CB-CD2 3.75Å; K560-F573 HydrophobicContact CB-CE2 4.11Å; K560-F573 HydrophobicContact CD-CD2 4Å; K560-F573 HydrophobicContact CD-CE2 4.4Å; K560-F573 HydrophobicContact CG-CD2 3.93Å
561L94Very high91.7Very high0 Ų058.1 Ų58.10%030%0.298CS..EExtended strand (participates in β ladder)trans-128136.5174.8-170.476.7000111.2I540 L550 Y559 F563 S571 F572 I598I540-L561 HydrophobicContact CD1-CD2 3.48Å; I540-L561 VanDerWaalsContact CD1-CD2 3.48Å; L550-L561 HydrophobicContact CD2-CD1 3.5Å; L550-L561 HydrophobicContact CG-CD1 3.97Å; Y559-L561 HydrophobicContact CE1-CB 4.01Å; Y559-L561 HydrophobicContact CE1-CD1 4.37Å; Y559-L561 WeakPolarHBondContact OH-CD1 3.18Å; L561-F563 HydrophobicContact CD2-CD1 3.72Å; L561-F563 HydrophobicContact CD2-CE1 4.01Å; L561-F563 HydrophobicContact CG-CD1 4.22Å; L561-S571 CarbonylContact O-C 3.58Å; L561-S571 VanDerWaalsContact O-CA 3.3Å; L561-S571 WeakPolarHBondContact O-CA 3.39Å; L561-F572 HydrophobicContact CB-CD1 4.15Å; L561-F572 HydrophobicContact CB-CE1 3.65Å; L561-F572 HydrophobicContact CB-CE2 4.02Å; L561-F572 HydrophobicContact CB-CZ 3.58Å; L561-F572 HydrophobicContact CD2-CD1 4.48Å; L561-F572 HydrophobicContact CD2-CE1 3.53Å; L561-F572 HydrophobicContact CD2-CZ 3.84Å; L561-F572 HydrophobicContact CG-CE1 4.2Å; L561-F572 HydrophobicContact CG-CZ 4.35Å; L561-F572 PolarHBondContact N-O 2.92Å; L561-F572 PolarHBondContact O-N 2.93Å; L561-I598 HydrophobicContact CD1-CD1 4.03Å; L561-I598 HydrophobicContact CD2-CD1 3.47Å; L561-I598 VanDerWaalsContact CD2-CD1 3.47Å; L561-I598 HydrophobicContact CG-CD1 4.32Å
562R93.5Very high91.9Very high126 Ų12651.7 Ų51.748%0.47527%0.268SS..EExtended strand (participates in β ladder)trans-126.3140168.3-167.4-179.7-173.3172.63.6110.3L550 Q551 V569 Y570L550-R562 WeakPolarHBondContact CA-O 3.43Å; Q551-R562 PolarHBondContact N-O 2.64Å; Q551-R562 PolarHBondContact O-N 3.39Å; R562-V569 HydrophobicContact CG-CG1 4.43Å; R562-Y570 WeakPolarHBondContact CA-O 3.49Å; R562-Y570 WeakPolarHBondContact CG-O 3.5Å
563F93.9Very high92Very high3 Ų350.7 Ų50.71%0.01325%0.252CS..EExtended strand (participates in β ladder)trans-155.6172.2173.163-88.3000110.9P525 I540 V542 I545 L550 L561 Y570P525-F563 HydrophobicContact CB-CE1 4.42Å; P525-F563 HydrophobicContact CB-CZ 3.93Å; P525-F563 HydrophobicContact CG-CE1 4.1Å; P525-F563 HydrophobicContact CG-CZ 4.12Å; I540-F563 HydrophobicContact CD1-CE1 4.39Å; I540-F563 HydrophobicContact CG2-CE1 4.05Å; I540-F563 HydrophobicContact CG2-CZ 3.66Å; V542-F563 HydrophobicContact CB-CE2 4.13Å; V542-F563 HydrophobicContact CB-CZ 4.29Å; V542-F563 HydrophobicContact CG1-CE2 4.04Å; V542-F563 HydrophobicContact CG2-CE2 4.36Å; V542-F563 HydrophobicContact CG2-CZ 4.12Å; I545-F563 HydrophobicContact CB-CD2 4.45Å; I545-F563 HydrophobicContact CD1-CD2 4.45Å; I545-F563 HydrophobicContact CD1-CE2 4.08Å; I545-F563 HydrophobicContact CD1-CZ 4.48Å; I545-F563 HydrophobicContact CG1-CD2 3.95Å; I545-F563 HydrophobicContact CG1-CE2 3.76Å; I545-F563 HydrophobicContact CG2-CB 4.42Å; I545-F563 HydrophobicContact CG2-CD2 3.91Å; I545-F563 HydrophobicContact CG2-CG 4.35Å; L550-F563 HydrophobicContact CB-CB 4.32Å; L550-F563 HydrophobicContact CG-CB 4.28Å; L561-F563 HydrophobicContact CD2-CD1 3.72Å; L561-F563 HydrophobicContact CD2-CE1 4.01Å; L561-F563 HydrophobicContact CG-CD1 4.22Å; F563-Y570 HydrophobicContact CD2-CD2 4.18Å; F563-Y570 AromaticContact CE2-CD2 3.59Å; F563-Y570 HydrophobicContact CE2-CD2 3.59Å; F563-Y570 HydrophobicContact CE2-CE2 4.46Å; F563-Y570 AromaticContact CE2-CG 3.79Å; F563-Y570 HydrophobicContact CE2-CG 3.79Å; F563-Y570 VanDerWaalsContact CZ-CB 3.49Å; F563-Y570 HydrophobicContact CZ-CD2 4.13Å; F563-Y570 AromaticContact CZ-CG 3.83Å; F563-Y570 HydrophobicContact CZ-CG 3.83Å; F563-Y570 PolarHBondContact N-O 3.02Å; F563-Y570 PolarHBondContact O-N 3.39Å
564S92.4Very high92.1Very high25 Ų2546.5 Ų46.518%0.17523%0.23CC..EExtended strand (participates in β ladder)trans-132153.8173.362.50000113.1Q546 S549 L568Q546-S564 WeakPolarHBondContact CB-O 3.45Å; Q546-S564 PolarHBondContact N-O 3.4Å; S549-S564 WeakPolarHBondContact CB-OG 3.27Å; S549-S564 PolarHBondContact OG-N 2.81Å; S549-S564 PolarHBondContact OG-O 2.88Å; S549-S564 PolarHBondContact OG-OG 2.93Å; S564-L568 CarbonylContact C-O 3.59Å; S564-L568 WeakPolarHBondContact CA-O 3.43Å
565T90.4Very high92.2Very high15 Ų1547.4 Ų47.49%0.09223%0.233CC..  trans-100.2-162.3164.463.40000108.9V542 P543 R544 Q546 D567 L568 Y570V542-T565 HydrophobicContact CG1-CG2 3.49Å; V542-T565 VanDerWaalsContact CG1-CG2 3.49Å; P543-T565 WeakPolarHBondContact O-CG2 3.41Å; R544-T565 WeakPolarHBondContact O-CA 3.23Å; Q546-T565 PolarHBondContact NE2-O 3.14Å; T565-D567 VanDerWaalsContact C-N 3.35Å; T565-L568 PolarHBondContact N-O 3.06Å; T565-L568 PolarHBondContact OG1-N 2.97Å; T565-L568 PolarHBondContact OG1-O 3.14Å; T565-Y570 HydrophobicContact CG2-CD2 4.22Å; T565-Y570 HydrophobicContact CG2-CE2 3.73Å
566Q83.4Confident92.2Very high124 Ų12445 Ų4558%0.57922%0.22SC*.SBendtrans-65.2-37178-70.8175.3-4200112.6
567D84.3Confident92.2Very high145 Ų14543 Ų4378%0.77521%0.208SC*.SBendtrans-123.4-14.2-169.6-52.1-67.9000114.1T565T565-D567 VanDerWaalsContact C-N 3.35Å
568L90.7Very high92Very high81 Ų8144.7 Ų44.742%0.42422%0.222SC..  trans-130.6146.5-172.2-62.9172.9000112.2L523 S564 T565 Y570L523-L568 HydrophobicContact CD1-CD1 4.12Å; L523-L568 HydrophobicContact CD1-CD2 4.11Å; S564-L568 CarbonylContact C-O 3.59Å; S564-L568 WeakPolarHBondContact CA-O 3.43Å; T565-L568 PolarHBondContact N-O 3.06Å; T565-L568 PolarHBondContact OG1-N 2.97Å; T565-L568 PolarHBondContact OG1-O 3.14Å; L568-Y570 HydrophobicContact CB-CD2 4.47Å; L568-Y570 HydrophobicContact CB-CE2 3.75Å; L568-Y570 WeakPolarHBondContact CD1-OH 3.1Å
569V92.4Very high91.8Very high49 Ų4947.3 Ų47.330%0.29724%0.237SC..EExtended strand (participates in β ladder)trans-105.2137170.7-176.80000108.3P522 L523 R562P522-V569 WeakPolarHBondContact CA-O 3.23Å; P522-V569 HydrophobicContact CB-CG1 4.19Å; L523-V569 PolarHBondContact N-O 2.82Å; R562-V569 HydrophobicContact CG-CG1 4.43Å
570Y93.6Very high91.7Very high32 Ų3248.2 Ų48.213%0.12524%0.242CC..EExtended strand (participates in β ladder)trans-118.4147.2178-67-89.2000110.6L523 P525 V542 R562 F563 T565 L568L523-Y570 HydrophobicContact CB-CD1 3.87Å; L523-Y570 HydrophobicContact CB-CE1 3.94Å; L523-Y570 HydrophobicContact CD1-CE1 4.44Å; L523-Y570 VanDerWaalsContact O-CA 3.23Å; L523-Y570 WeakPolarHBondContact O-CA 3.41Å; L523-Y570 WeakPolarHBondContact O-CD1 3.5Å; P525-Y570 HydrophobicContact CB-CD1 3.7Å; P525-Y570 HydrophobicContact CB-CE1 4.32Å; P525-Y570 HydrophobicContact CB-CG 4.28Å; P525-Y570 HydrophobicContact CG-CD1 4.44Å; V542-Y570 HydrophobicContact CG1-CD2 4.25Å; V542-Y570 HydrophobicContact CG1-CE2 3.73Å; V542-Y570 HydrophobicContact CG2-CD1 4.47Å; V542-Y570 HydrophobicContact CG2-CE1 4.22Å; R562-Y570 WeakPolarHBondContact CA-O 3.49Å; R562-Y570 WeakPolarHBondContact CG-O 3.5Å; F563-Y570 HydrophobicContact CD2-CD2 4.18Å; F563-Y570 AromaticContact CE2-CD2 3.59Å; F563-Y570 HydrophobicContact CE2-CD2 3.59Å; F563-Y570 HydrophobicContact CE2-CE2 4.46Å; F563-Y570 AromaticContact CE2-CG 3.79Å; F563-Y570 HydrophobicContact CE2-CG 3.79Å; F563-Y570 VanDerWaalsContact CZ-CB 3.49Å; F563-Y570 HydrophobicContact CZ-CD2 4.13Å; F563-Y570 AromaticContact CZ-CG 3.83Å; F563-Y570 HydrophobicContact CZ-CG 3.83Å; F563-Y570 PolarHBondContact N-O 3.02Å; F563-Y570 PolarHBondContact O-N 3.39Å; T565-Y570 HydrophobicContact CG2-CD2 4.22Å; T565-Y570 HydrophobicContact CG2-CE2 3.73Å; L568-Y570 HydrophobicContact CB-CD2 4.47Å; L568-Y570 HydrophobicContact CB-CE2 3.75Å; L568-Y570 WeakPolarHBondContact CD1-OH 3.1Å
571S93.4Very high91.7Very high5 Ų549 Ų494%0.03525%0.245CC..EExtended strand (participates in β ladder)trans-147141.8173.2-176.80000109.2L523 L561L523-S571 PolarHBondContact O-N 2.89Å; L561-S571 CarbonylContact O-C 3.58Å; L561-S571 VanDerWaalsContact O-CA 3.3Å; L561-S571 WeakPolarHBondContact O-CA 3.39Å
572F94Very high91.6Very high0 Ų049.1 Ų49.10%025%0.246CC..EExtended strand (participates in β ladder)trans-142.4160.4163.168-99.6000112.1P525 L527 L538 I540 Y559 K560 L561 L574 Y615 G616P525-F572 HydrophobicContact CG-CD1 3.63Å; P525-F572 HydrophobicContact CG-CE1 4.28Å; L527-F572 HydrophobicContact CD2-CD2 4.33Å; L527-F572 HydrophobicContact CD2-CE2 4.2Å; L527-F572 HydrophobicContact CD2-CZ 4.38Å; L538-F572 HydrophobicContact CD1-CE2 4.43Å; L538-F572 HydrophobicContact CD1-CZ 4.32Å; I540-F572 HydrophobicContact CD1-CE1 3.76Å; I540-F572 HydrophobicContact CD1-CZ 4.19Å; I540-F572 HydrophobicContact CG1-CE1 4.13Å; Y559-F572 HydrophobicContact CD1-CE2 4.12Å; Y559-F572 HydrophobicContact CD1-CZ 4.5Å; Y559-F572 HydrophobicContact CE1-CE2 4.42Å; Y559-F572 HydrophobicContact CE1-CZ 4.36Å; K560-F572 WeakPolarHBondContact CA-O 3.4Å; L561-F572 HydrophobicContact CB-CD1 4.15Å; L561-F572 HydrophobicContact CB-CE1 3.65Å; L561-F572 HydrophobicContact CB-CE2 4.02Å; L561-F572 HydrophobicContact CB-CZ 3.58Å; L561-F572 HydrophobicContact CD2-CD1 4.48Å; L561-F572 HydrophobicContact CD2-CE1 3.53Å; L561-F572 HydrophobicContact CD2-CZ 3.84Å; L561-F572 HydrophobicContact CG-CE1 4.2Å; L561-F572 HydrophobicContact CG-CZ 4.35Å; L561-F572 PolarHBondContact N-O 2.92Å; L561-F572 PolarHBondContact O-N 2.93Å; F572-L574 HydrophobicContact CD2-CD1 4.39Å; F572-L574 HydrophobicContact CD2-CG 3.92Å; F572-L574 HydrophobicContact CE2-CD1 3.75Å; F572-L574 HydrophobicContact CE2-CG 3.79Å; F572-Y615 HydrophobicContact CB-CD2 4.32Å; F572-Y615 HydrophobicContact CB-CE2 3.51Å; F572-Y615 HydrophobicContact CD2-CD2 4.45Å; F572-Y615 HydrophobicContact CD2-CE2 4.09Å; F572-Y615 AromaticContact CG-CE2 3.85Å; F572-Y615 HydrophobicContact CG-CE2 3.85Å; F572-G616 CarbonylContact C-O 3.57Å; F572-G616 VanDerWaalsContact CA-O 3.29Å; F572-G616 WeakPolarHBondContact CA-O 3.4Å
573F93.7Very high91.6Very high19 Ų1944.2 Ų44.28%0.08323%0.231CC..EExtended strand (participates in β ladder)trans-124.2128.7172-161.5-100000108.4W558 K560 Q575 Y615 G616 N619 L622W558-F573 HydrophobicContact CB-CE1 3.82Å; W558-F573 HydrophobicContact CB-CE2 4.29Å; W558-F573 HydrophobicContact CB-CZ 3.58Å; W558-F573 AromaticContact CD2-CE2 3.79Å; W558-F573 HydrophobicContact CD2-CE2 3.79Å; W558-F573 AromaticContact CD2-CZ 3.6Å; W558-F573 HydrophobicContact CD2-CZ 3.6Å; W558-F573 AromaticContact CE3-CE2 3.57Å; W558-F573 HydrophobicContact CE3-CE2 3.57Å; W558-F573 AromaticContact CE3-CZ 3.9Å; W558-F573 HydrophobicContact CE3-CZ 3.9Å; W558-F573 HydrophobicContact CG-CE1 4.19Å; W558-F573 HydrophobicContact CG-CE2 4.14Å; W558-F573 AromaticContact CG-CZ 3.49Å; W558-F573 HydrophobicContact CG-CZ 3.49Å; W558-F573 VanDerWaalsContact CG-CZ 3.49Å; W558-F573 HydrophobicContact CZ3-CE2 4.2Å; K560-F573 HydrophobicContact CB-CD2 3.75Å; K560-F573 HydrophobicContact CB-CE2 4.11Å; K560-F573 HydrophobicContact CD-CD2 4Å; K560-F573 HydrophobicContact CD-CE2 4.4Å; K560-F573 HydrophobicContact CG-CD2 3.93Å; F573-Q575 HydrophobicContact CD1-CB 4.41Å; F573-Q575 HydrophobicContact CE1-CB 4.15Å; F573-Y615 WeakPolarHBondContact O-CA 3.42Å; F573-G616 PolarHBondContact N-O 3.1Å; F573-G616 PolarHBondContact O-N 2.95Å; F573-G616 VanDerWaalsContact O-N 3.1Å; F573-N619 HydrophobicContact CE1-CB 4.48Å; F573-L622 HydrophobicContact CD1-CD1 4.47Å; F573-L622 HydrophobicContact CD1-CD2 4.19Å
574L94.1Very high91.3Very high0 Ų049.9 Ų49.90%027%0.266CS..EExtended strand (participates in β ladder)trans-106.2137168-68.8171.3000108.7L527 L538 W558 Y559 F572 F576 W613 Y614 Y615L527-L574 HydrophobicContact CD2-CD1 4.46Å; L527-L574 HydrophobicContact CD2-CD2 3.88Å; L527-L574 HydrophobicContact CD2-CG 4.46Å; L538-L574 HydrophobicContact CD1-CD1 3.46Å; L538-L574 VanDerWaalsContact CD1-CD1 3.46Å; L538-L574 HydrophobicContact CD2-CD1 3.63Å; L538-L574 HydrophobicContact CG-CD1 4.19Å; W558-L574 CarbonylContact C-O 3.6Å; W558-L574 WeakPolarHBondContact CA-O 3.35Å; W558-L574 WeakPolarHBondContact CB-O 3.41Å; Y559-L574 HydrophobicContact CD1-CD1 4.25Å; Y559-L574 PolarHBondContact N-O 2.96Å; Y559-L574 PolarHBondContact O-N 3.45Å; F572-L574 HydrophobicContact CD2-CD1 4.39Å; F572-L574 HydrophobicContact CD2-CG 3.92Å; F572-L574 HydrophobicContact CE2-CD1 3.75Å; F572-L574 HydrophobicContact CE2-CG 3.79Å; L574-F576 HydrophobicContact CB-CE2 4.08Å; L574-F576 HydrophobicContact CB-CZ 4Å; L574-F576 HydrophobicContact CD1-CZ 4.34Å; L574-W613 HydrophobicContact CD2-CE3 3.47Å; L574-W613 VanDerWaalsContact CD2-CE3 3.47Å; L574-W613 HydrophobicContact CD2-CZ3 3.49Å; L574-W613 VanDerWaalsContact CD2-CZ3 3.49Å; L574-Y614 CarbonylContact C-O 3.56Å; L574-Y614 WeakPolarHBondContact CA-O 3.47Å; L574-Y615 HydrophobicContact CD2-CD2 3.73Å; L574-Y615 HydrophobicContact CD2-CG 4.4Å
575Q94Very high91.1Very high67 Ų6752.7 Ų52.731%0.31328%0.282SS..EExtended strand (participates in β ladder)trans-131.4148.2171.2179.2174.2-3.600110W558 F573 Y614 N619 L622W558-Q575 HydrophobicContact CB-CB 4.49Å; F573-Q575 HydrophobicContact CD1-CB 4.41Å; F573-Q575 HydrophobicContact CE1-CB 4.15Å; Q575-Y614 PolarHBondContact N-O 3.37Å; Q575-Y614 WeakPolarHBondContact O-CB 3.21Å; Q575-Y614 PolarHBondContact O-N 2.88Å; Q575-N619 PolarHBondContact OE1-OD1 2.88Å; Q575-L622 HydrophobicContact CB-CD1 4.04Å
576F93.7Very high91Very high3 Ų360.1 Ų60.11%0.01332%0.316CS..  trans-124157.9-179.2-53.7-77.9000110.5L536 L557 L574 N580 L582 W610 W613L536-F576 HydrophobicContact CD1-CD1 4.43Å; L536-F576 HydrophobicContact CD1-CE1 3.51Å; L536-F576 HydrophobicContact CD1-CE2 4.42Å; L536-F576 HydrophobicContact CD1-CZ 3.5Å; L557-F576 PolarHBondContact O-N 2.81Å; L574-F576 HydrophobicContact CB-CE2 4.08Å; L574-F576 HydrophobicContact CB-CZ 4Å; L574-F576 HydrophobicContact CD1-CZ 4.34Å; F576-N580 HydrophobicContact CB-CB 4.07Å; F576-N580 WeakPolarHBondContact CB-O 3.49Å; F576-L582 HydrophobicContact CD2-CD1 4.22Å; F576-L582 HydrophobicContact CD2-CG 4.29Å; F576-L582 HydrophobicContact CE2-CD1 3.72Å; F576-L582 HydrophobicContact CE2-CD2 4.44Å; F576-L582 HydrophobicContact CE2-CG 4.14Å; F576-W610 HydrophobicContact CB-CZ3 4.17Å; F576-W610 AromaticContact CD1-CE3 3.76Å; F576-W610 HydrophobicContact CD1-CE3 3.76Å; F576-W610 AromaticContact CD1-CZ3 3.48Å; F576-W610 HydrophobicContact CD1-CZ3 3.48Å; F576-W610 VanDerWaalsContact CD1-CZ3 3.48Å; F576-W610 HydrophobicContact CD2-CZ3 4.28Å; F576-W610 HydrophobicContact CE1-CE3 4.22Å; F576-W610 AromaticContact CE1-CZ3 3.89Å; F576-W610 HydrophobicContact CE1-CZ3 3.89Å; F576-W610 HydrophobicContact CG-CE3 4.32Å; F576-W610 AromaticContact CG-CZ3 3.69Å; F576-W610 HydrophobicContact CG-CZ3 3.69Å; F576-W610 HydrophobicContact CZ-CZ3 4.46Å; F576-W613 HydrophobicContact CD1-CB 3.92Å; F576-W613 HydrophobicContact CE1-CB 3.82Å
577A90.7Very high91.4Very high8 Ų855.7 Ų55.77%0.06630%0.298CS..  trans-60151.5174.400000111.2E579 N580A577-E579 HydrophobicContact CB-CG 4.21Å; A577-E579 PolarHBondContact O-N 2.84Å; A577-N580 PolarHBondContact O-N 2.9Å
578P88.4Confident91.8Very high94 Ų9453.4 Ų53.461%0.6129%0.289SS*.THydrogen-bonded Turntrans-54.6-26.2-175.2-28.536.5000116.4K581P578-K581 WeakPolarHBondContact O-CE 3.28Å
579E89.1Confident91.9Very high121 Ų12152.8 Ų52.857%0.56529%0.285SS*.THydrogen-bonded Turntrans-80.2-19.6175.757.4-91.8-145.200114.2A577 S606A577-E579 HydrophobicContact CB-CG 4.21Å; A577-E579 PolarHBondContact O-N 2.84Å; E579-S606 PolarHBondContact O-OG 2.75Å
580N92Very high91.8Very high20 Ų2054.2 Ų54.211%0.10730%0.297CS..SBendtrans-102.986-174-71.7-26.2000110.1F576 A577 W610F576-N580 HydrophobicContact CB-CB 4.07Å; F576-N580 WeakPolarHBondContact CB-O 3.49Å; A577-N580 PolarHBondContact O-N 2.9Å; N580-W610 HydrophobicContact CB-CD2 3.62Å; N580-W610 HydrophobicContact CB-CE3 3.74Å; N580-W610 HydrophobicContact CB-CG 4.1Å; N580-W610 HydrophobicContact CB-CH2 4.08Å; N580-W610 HydrophobicContact CB-CZ2 4.01Å; N580-W610 HydrophobicContact CB-CZ3 3.95Å; N580-W610 VanDerWaalsContact OD1-CD1 3.28Å
581K93.3Very high91.6Very high92 Ų9255.6 Ų55.640%0.431%0.306SS..PPolyproline II helixtrans-98.2137.6-173-67.8170.7-173.7166.90113.2P556 L557 P578 S603 S606 W610P556-K581 CarbonylContact O-C 3.53Å; P556-K581 WeakPolarHBondContact O-CA 3.39Å; L557-K581 HydrophobicContact CD2-CG 3.97Å; P578-K581 WeakPolarHBondContact O-CE 3.28Å; K581-S603 PolarHBondContact O-N 3.25Å; K581-S606 PolarHBondContact N-OG 3.45Å; K581-W610 WeakPolarHBondContact O-CH2 3.49Å; K581-W610 WeakPolarHBondContact O-CZ2 3.05Å
582L93.5Very high91.5Very high3 Ų358.2 Ų58.22%0.01633%0.325CS..BIsolated β-bridgetrans-79.8148.6165.2-63.8179.8000110.9L536 L554 P556 F576 L600 W610L536-L582 HydrophobicContact CD1-CD2 4.01Å; L554-L582 HydrophobicContact CD1-CB 4.3Å; L554-L582 HydrophobicContact CD1-CD1 3.6Å; P556-L582 PolarHBondContact O-N 3.38Å; F576-L582 HydrophobicContact CD2-CD1 4.22Å; F576-L582 HydrophobicContact CD2-CG 4.29Å; F576-L582 HydrophobicContact CE2-CD1 3.72Å; F576-L582 HydrophobicContact CE2-CD2 4.44Å; F576-L582 HydrophobicContact CE2-CG 4.14Å; L582-L600 HydrophobicContact CD1-CD1 3.96Å; L582-L600 HydrophobicContact CD2-CB 3.96Å; L582-L600 HydrophobicContact CD2-CD1 4.44Å; L582-W610 HydrophobicContact CD2-CH2 3.83Å; L582-W610 HydrophobicContact CD2-CZ3 4.22Å; L582-W610 HydrophobicContact CG-CH2 4.39Å
583S92.2Very high91Very high23 Ų2362 Ų6216%0.16135%0.351CS..PPolyproline II helixtrans-66.7155.7166.2-176.20000110.3T585 A601S583-T585 PolarHBondContact O-N 3.38Å; S583-T585 PolarHBondContact OG-N 3.03Å; S583-T585 PolarHBondContact OG-OG1 3.4Å; S583-A601 WeakPolarHBondContact CB-O 3.43Å; S583-A601 PolarHBondContact N-O 3.03Å
584T88Confident90.7Very high122 Ų12266.1 Ų66.175%0.74837%0.374SS*.SBendtrans-81.19.4169.559.10000113.1P556P556-T584 HydrophobicContact CG-CG2 4.35Å
585T88.3Confident90.6Very high83 Ų8368.3 Ų68.351%0.50939%0.386SS..SBendtrans-68.4137.3174.4-51.60000110.3L554 S583L554-T585 WeakPolarHBondContact CD2-O 3.48Å; S583-T585 PolarHBondContact O-N 3.38Å; S583-T585 PolarHBondContact OG-N 3.03Å; S583-T585 PolarHBondContact OG-OG1 3.4Å
586E87.6Confident90.5Very high171 Ų17165.1 Ų65.180%0.79937%0.371SS*.PPolyproline II helixtrans-58.4136.6177.3-67.5-173.3169.600111.5
587P91.6Very high90.6Very high32 Ų3267.2 Ų67.221%0.20838%0.384CS..PPolyproline II helixtrans-60.3137.9177.9-24.735.1000112.4L554 Y559 I589 I598 E599 L600L554-P587 HydrophobicContact CD2-CG 4.15Å; Y559-P587 HydrophobicContact CE2-CG 3.74Å; P587-I589 HydrophobicContact CB-CD1 4.43Å; P587-I589 HydrophobicContact CB-CG1 4.19Å; P587-I598 HydrophobicContact CB-CG2 3.77Å; P587-E599 WeakPolarHBondContact CA-O 3.47Å; P587-L600 HydrophobicContact CB-CD2 3.75Å; P587-L600 HydrophobicContact CG-CD2 3.63Å
588V92.9Very high90.8Very high97 Ų9766.9 Ų66.959%0.58838%0.381SS*.EExtended strand (participates in β ladder)trans-84.6120.2171.5-175.30000108.4I598 E599V588-I598 WeakPolarHBondContact O-CA 3.48Å; V588-E599 HydrophobicContact CB-CB 4.17Å; V588-E599 PolarHBondContact N-O 2.75Å; V588-E599 VanDerWaalsContact N-O 3.08Å; V588-E599 PolarHBondContact O-N 2.76Å
589I93.1Very high91.1Very high67 Ų6766.2 Ų66.234%0.34437%0.37SS..EExtended strand (participates in β ladder)trans-118.8123.5-171.9-54-174.1000110.3L550 P587 I591 I598L550-I589 HydrophobicContact CD1-CG2 4.15Å; L550-I589 HydrophobicContact CD2-CD1 3.57Å; L550-I589 HydrophobicContact CD2-CG2 4.37Å; P587-I589 HydrophobicContact CB-CD1 4.43Å; P587-I589 HydrophobicContact CB-CG1 4.19Å; I589-I591 HydrophobicContact CG2-CD1 4.39Å; I589-I591 HydrophobicContact CG2-CG1 4.03Å; I589-I598 HydrophobicContact CD1-CD1 4.46Å; I589-I598 HydrophobicContact CG1-CG1 4.13Å; I589-I598 HydrophobicContact CG1-CG2 4.2Å; I589-I598 HydrophobicContact CG2-CG1 4.15Å
590S91.1Very high91.5Very high79 Ų7960.6 Ų60.655%0.55234%0.343SS*.EExtended strand (participates in β ladder)trans-121.5123.4176.4-175.80000110.1A596 V597S590-A596 CarbonylContact O-C 3.43Å; S590-A596 WeakPolarHBondContact O-CA 3.33Å; S590-V597 PolarHBondContact N-O 2.89Å; S590-V597 PolarHBondContact O-N 2.92Å
591I90Very high91.6Very high61 Ų6161.2 Ų61.231%0.31335%0.351SS..EExtended strand (participates in β ladder)trans-116.2127.7-175.5-51.6175.7000109.8I545 P547 L550 I589 A596I545-I591 HydrophobicContact CB-CG2 4.21Å; I545-I591 HydrophobicContact CG2-CG2 4.36Å; P547-I591 HydrophobicContact CB-CD1 3.84Å; P547-I591 HydrophobicContact CG-CD1 4.12Å; L550-I591 HydrophobicContact CD1-CD1 3.81Å; L550-I591 HydrophobicContact CD1-CG1 4.42Å; I589-I591 HydrophobicContact CG2-CD1 4.39Å; I589-I591 HydrophobicContact CG2-CG1 4.03Å; I591-A596 HydrophobicContact CG1-CB 4.32Å
592S89.8Confident91.8Very high60 Ų6057 Ų5742%0.4233%0.333SS..  trans-110.8173.6175.3176.60000110.3N594 N595S592-N594 PolarHBondContact O-N 3.41Å; S592-N595 WeakPolarHBondContact CA-O 3.32Å; S592-N595 WeakPolarHBondContact CB-O 3.35Å; S592-N595 VanDerWaalsContact CB-OD1 3.3Å; S592-N595 WeakPolarHBondContact CB-OD1 3.1Å; S592-N595 PolarHBondContact N-O 2.88Å; S592-N595 PolarHBondContact OG-OD1 3.35Å
593S83.9Confident91.8Very high79 Ų7957.3 Ų57.355%0.55234%0.336SS*.SBendtrans-63-23.5176.164.50000113.3R544R544-S593 PolarHBondContact N-O 3.01Å
594N87.8Confident91.7Very high107 Ų10760.8 Ų60.857%0.57236%0.357SS*.SBendtrans-118.7-14.7-167.5-60.7-5.4000114.3V542 S592V542-N594 CarbonylContact C-O 3.51Å; V542-N594 CarbonylContact O-C 3.51Å; S592-N594 PolarHBondContact O-N 3.41Å
595N91.8Very high91.8Very high45 Ų4562.6 Ų62.624%0.24136%0.357CS..  trans-162.8164.9-172.565.1-59.1000111.2L539 I540 S592L539-N595 HydrophobicContact CD1-CB 4.12Å; L539-N595 WeakPolarHBondContact CD1-ND2 3.33Å; I540-N595 CarbonylContact O-C 3.48Å; I540-N595 VanDerWaalsContact O-CA 3.24Å; I540-N595 WeakPolarHBondContact O-CA 3.12Å; I540-N595 VanDerWaalsContact O-CB 3.32Å; I540-N595 WeakPolarHBondContact O-CB 3.27Å; S592-N595 WeakPolarHBondContact CA-O 3.32Å; S592-N595 WeakPolarHBondContact CB-O 3.35Å; S592-N595 VanDerWaalsContact CB-OD1 3.3Å; S592-N595 WeakPolarHBondContact CB-OD1 3.1Å; S592-N595 PolarHBondContact N-O 2.88Å; S592-N595 PolarHBondContact OG-OD1 3.35Å
596A92.3Very high92Very high1 Ų159.1 Ų59.11%0.00834%0.337CS..EExtended strand (participates in β ladder)trans-122.3149.9163.300000110.7I540 I545 S590 I591I540-A596 HydrophobicContact CB-CB 4.36Å; I540-A596 HydrophobicContact CD1-CB 4.43Å; I540-A596 PolarHBondContact N-O 2.86Å; I540-A596 PolarHBondContact O-N 2.97Å; I545-A596 HydrophobicContact CD1-CB 3.57Å; S590-A596 CarbonylContact O-C 3.43Å; S590-A596 WeakPolarHBondContact O-CA 3.33Å; I591-A596 HydrophobicContact CG1-CB 4.32Å
597V95.4Very high92.2Very high47 Ų4755.1 Ų55.129%0.28532%0.318SS..EExtended strand (participates in β ladder)trans-119.4130.7172.2-177.30000107.8T537 L538 L539 S590T537-V597 HydrophobicContact CG2-CG1 3.78Å; L538-V597 CarbonylContact O-C 3.57Å; L538-V597 VanDerWaalsContact O-CA 3.29Å; L538-V597 WeakPolarHBondContact O-CA 3.34Å; L539-V597 HydrophobicContact CD1-CG2 4.03Å; S590-V597 PolarHBondContact N-O 2.89Å; S590-V597 PolarHBondContact O-N 2.92Å
598I94.9Very high92Very high0 Ų054.8 Ų54.80%032%0.32CS..EExtended strand (participates in β ladder)trans-125.3124.2176.1-57.5177.8000108.2L538 I540 Y559 L561 P587 V588 I589 L600L538-I598 HydrophobicContact CB-CB 4.12Å; L538-I598 WeakPolarHBondContact CB-O 3.43Å; L538-I598 HydrophobicContact CD1-CB 4.33Å; L538-I598 HydrophobicContact CD1-CG2 4.39Å; L538-I598 PolarHBondContact N-O 3.02Å; L538-I598 PolarHBondContact O-N 3.26Å; I540-I598 HydrophobicContact CD1-CD1 3.73Å; I540-I598 HydrophobicContact CD1-CG1 4.32Å; Y559-I598 HydrophobicContact CE1-CD1 4.23Å; Y559-I598 HydrophobicContact CE1-CG2 4.19Å; L561-I598 HydrophobicContact CD1-CD1 4.03Å; L561-I598 HydrophobicContact CD2-CD1 3.47Å; L561-I598 VanDerWaalsContact CD2-CD1 3.47Å; L561-I598 HydrophobicContact CG-CD1 4.32Å; P587-I598 HydrophobicContact CB-CG2 3.77Å; V588-I598 WeakPolarHBondContact O-CA 3.48Å; I589-I598 HydrophobicContact CD1-CD1 4.46Å; I589-I598 HydrophobicContact CG1-CG1 4.13Å; I589-I598 HydrophobicContact CG1-CG2 4.2Å; I589-I598 HydrophobicContact CG2-CG1 4.15Å; I598-L600 HydrophobicContact CG2-CD2 4.04Å; I598-L600 HydrophobicContact CG2-CG 4.42Å
599E95.7Very high91.9Very high81 Ų8155 Ų5538%0.37931%0.314SS..EExtended strand (participates in β ladder)trans-102.6124.2176.3-166.1175.4-179.900109.4T535 L536 P587 V588T535-E599 HydrophobicContact CG2-CG 4.29Å; T535-E599 WeakPolarHBondContact CG2-OE1 3.08Å; L536-E599 WeakPolarHBondContact O-CA 3.44Å; P587-E599 WeakPolarHBondContact CA-O 3.47Å; V588-E599 HydrophobicContact CB-CB 4.17Å; V588-E599 PolarHBondContact N-O 2.75Å; V588-E599 VanDerWaalsContact N-O 3.08Å; V588-E599 PolarHBondContact O-N 2.76Å
600L95.8Very high91.9Very high2 Ų252 Ų521%0.0130%0.299CS..EExtended strand (participates in β ladder)trans-111.4121176.7-56.4175.7000108.6T535 L536 L538 L554 Y559 L582 P587 I598T535-L600 CarbonylContact C-O 3.56Å; T535-L600 VanDerWaalsContact CA-O 3.32Å; T535-L600 WeakPolarHBondContact CA-O 2.99Å; L536-L600 HydrophobicContact CB-CB 4.32Å; L536-L600 PolarHBondContact N-O 3.29Å; L536-L600 PolarHBondContact O-N 2.87Å; L538-L600 HydrophobicContact CD1-CD1 3.73Å; L538-L600 HydrophobicContact CD1-CG 4.22Å; L538-L600 HydrophobicContact CG-CD1 4.32Å; L554-L600 HydrophobicContact CD1-CD2 4.32Å; Y559-L600 HydrophobicContact CD1-CD1 3.98Å; Y559-L600 HydrophobicContact CD1-CD2 4.23Å; Y559-L600 HydrophobicContact CD2-CD2 4.05Å; Y559-L600 HydrophobicContact CE1-CD2 4.31Å; Y559-L600 HydrophobicContact CE2-CD2 4.14Å; Y559-L600 HydrophobicContact CG-CD1 3.97Å; Y559-L600 HydrophobicContact CG-CD2 4.08Å; L582-L600 HydrophobicContact CD1-CD1 3.96Å; L582-L600 HydrophobicContact CD2-CB 3.96Å; L582-L600 HydrophobicContact CD2-CD1 4.44Å; P587-L600 HydrophobicContact CB-CD2 3.75Å; P587-L600 HydrophobicContact CG-CD2 3.63Å; I598-L600 HydrophobicContact CG2-CD2 4.04Å; I598-L600 HydrophobicContact CG2-CG 4.42Å
601A95.1Very high91.9Very high33 Ų3352.7 Ų52.727%0.27329%0.289SS..EExtended strand (participates in β ladder)trans-72.4137.6173.700000110.7S583S583-A601 WeakPolarHBondContact CB-O 3.43Å; S583-A601 PolarHBondContact N-O 3.03Å
602K96.2Very high92Very high4 Ų451.2 Ų51.22%0.01728%0.281CS..BIsolated β-bridgetrans-76.1155.8169.4-63178170.1174.50109.3D532 E534 G608 W610D532-K602 PolarHBondContact O-NZ 3.08Å; E534-K602 WeakPolarHBondContact O-CB 3.27Å; E534-K602 PolarHBondContact O-N 2.82Å; K602-G608 PolarHBondContact NZ-O 3.22Å; K602-W610 HydrophobicContact CB-CZ2 4.01Å; K602-W610 HydrophobicContact CD-CD2 4.46Å; K602-W610 HydrophobicContact CD-CZ2 3.8Å; K602-W610 HydrophobicContact CG-CH2 4.05Å; K602-W610 HydrophobicContact CG-CZ2 3.57Å
603S94.2Very high92.2Very high10 Ų1049.3 Ų49.37%0.0727%0.265CS..PPolyproline II helixtrans-74148.6170.692.90000109.6K581 E605 S606 H607K581-S603 PolarHBondContact O-N 3.25Å; S603-E605 WeakPolarHBondContact CB-OE2 3.47Å; S603-E605 PolarHBondContact O-N 2.88Å; S603-E605 VanDerWaalsContact O-N 3.1Å; S603-E605 PolarHBondContact OG-OE2 2.97Å; S603-S606 CarbonylContact O-C 3.56Å; S603-S606 WeakPolarHBondContact O-CA 3.44Å; S603-S606 PolarHBondContact O-N 2.8Å; S603-H607 PolarHBondContact O-CD2 2.96Å; S603-H607 PolarHBondContact O-N 3.25Å
604P90.9Very high92.6Very high95 Ų9548.1 Ų48.162%0.61725%0.249SC*.G310 helixtrans-56.7-28.7-177.8-27.536.5000114.3S606P604-S606 VanDerWaalsContact C-N 3.31Å
605E90Very high92.9Very high160 Ų16044.3 Ų44.375%0.74823%0.226SC*.G310 helixtrans-77-17.5177.5-46.981-178.500113.2S603S603-E605 WeakPolarHBondContact CB-OE2 3.47Å; S603-E605 PolarHBondContact O-N 2.88Å; S603-E605 VanDerWaalsContact O-N 3.1Å; S603-E605 PolarHBondContact OG-OE2 2.97Å
606S91.2Very high92.8Very high11 Ų1142.4 Ų42.48%0.07722%0.217CC..G310 helixtrans-113.619.8179.7-61.50000112.3E579 K581 S603 P604 W610E579-S606 PolarHBondContact O-OG 2.75Å; K581-S606 PolarHBondContact N-OG 3.45Å; S603-S606 CarbonylContact O-C 3.56Å; S603-S606 WeakPolarHBondContact O-CA 3.44Å; S603-S606 PolarHBondContact O-N 2.8Å; P604-S606 VanDerWaalsContact C-N 3.31Å; S606-W610 PolarHBondContact O-NE1 3.11Å
607H91.9Very high92.5Very high87 Ų8744.1 Ų44.140%0.40323%0.228SC..  trans-63.9140.1170.7-78.3-165.7000111.4K533 S603K533-H607 CarbonylContact O-C 3.32Å; K533-H607 WeakPolarHBondContact O-CA 3.22Å; S603-H607 PolarHBondContact O-CD2 2.96Å; S603-H607 PolarHBondContact O-N 3.25Å
608G88.4Confident92Very high25 Ų2545.1 Ų45.126%0.25823%0.231SC..SBendtrans130.4-177.4-173.200000112.3K533 K602K533-G608 PolarHBondContact O-N 2.86Å; K602-G608 PolarHBondContact NZ-O 3.22Å
609H91.3Very high91.3Very high100 Ų10049.3 Ų49.346%0.46325%0.254SS..  trans-91.1122.1175.8-62.5-74.8000109.7
610W93.3Very high90.6Very high6 Ų652.9 Ų52.92%0.02328%0.275CS..  trans-79.6150.3179.2-60.4-7.7000110.2Q531 L536 F576 N580 K581 L582 K602 S606 F627 N629Q531-W610 PolarHBondContact NE2-O 3.42Å; L536-W610 HydrophobicContact CD1-CE3 4.14Å; L536-W610 HydrophobicContact CD1-CH2 4.47Å; L536-W610 HydrophobicContact CD1-CZ3 3.71Å; L536-W610 HydrophobicContact CD2-CE3 4.15Å; L536-W610 HydrophobicContact CD2-CZ3 4.41Å; L536-W610 HydrophobicContact CG-CZ3 4.33Å; F576-W610 HydrophobicContact CB-CZ3 4.17Å; F576-W610 AromaticContact CD1-CE3 3.76Å; F576-W610 HydrophobicContact CD1-CE3 3.76Å; F576-W610 AromaticContact CD1-CZ3 3.48Å; F576-W610 HydrophobicContact CD1-CZ3 3.48Å; F576-W610 VanDerWaalsContact CD1-CZ3 3.48Å; F576-W610 HydrophobicContact CD2-CZ3 4.28Å; F576-W610 HydrophobicContact CE1-CE3 4.22Å; F576-W610 AromaticContact CE1-CZ3 3.89Å; F576-W610 HydrophobicContact CE1-CZ3 3.89Å; F576-W610 HydrophobicContact CG-CE3 4.32Å; F576-W610 AromaticContact CG-CZ3 3.69Å; F576-W610 HydrophobicContact CG-CZ3 3.69Å; F576-W610 HydrophobicContact CZ-CZ3 4.46Å; N580-W610 HydrophobicContact CB-CD2 3.62Å; N580-W610 HydrophobicContact CB-CE3 3.74Å; N580-W610 HydrophobicContact CB-CG 4.1Å; N580-W610 HydrophobicContact CB-CH2 4.08Å; N580-W610 HydrophobicContact CB-CZ2 4.01Å; N580-W610 HydrophobicContact CB-CZ3 3.95Å; N580-W610 VanDerWaalsContact OD1-CD1 3.28Å; K581-W610 WeakPolarHBondContact O-CH2 3.49Å; K581-W610 WeakPolarHBondContact O-CZ2 3.05Å; L582-W610 HydrophobicContact CD2-CH2 3.83Å; L582-W610 HydrophobicContact CD2-CZ3 4.22Å; L582-W610 HydrophobicContact CG-CH2 4.39Å; K602-W610 HydrophobicContact CB-CZ2 4.01Å; K602-W610 HydrophobicContact CD-CD2 4.46Å; K602-W610 HydrophobicContact CD-CZ2 3.8Å; K602-W610 HydrophobicContact CG-CH2 4.05Å; K602-W610 HydrophobicContact CG-CZ2 3.57Å; S606-W610 PolarHBondContact O-NE1 3.11Å; W610-F627 HydrophobicContact CB-CD2 4.14Å; W610-F627 HydrophobicContact CB-CE2 3.98Å; W610-F627 VanDerWaalsContact O-CD2 3.31Å; W610-F627 WeakPolarHBondContact O-CD2 3.4Å; W610-N629 PolarHBondContact O-ND2 2.96Å
611R90.5Very high90Very high92 Ų9255.4 Ų55.435%0.34729%0.293SS..SBendtrans-75.2-49.8-179.5-165.6-174.1176.5-104.93.2112.1F627 N632 E635R611-F627 PolarHBondContact O-N 3.39Å; R611-N632 WeakPolarHBondContact CG-OD1 3.47Å; R611-N632 PolarHBondContact NE-OD1 2.7Å; R611-N632 PolarHBondContact O-ND2 3.44Å; R611-E635 IonicContact CZ-OE2 3.29Å; R611-E635 IonicContact NE-OE2 2.68Å; R611-E635 IonicContact NH2-OE1 3.54Å; R611-E635 PolarHBondContact NH2-OE1 3.48Å; R611-E635 IonicContact NH2-OE2 3.51Å; R611-E635 PolarHBondContact NH2-OE2 3.15Å
612E91.9Very high89.7Confident31 Ų3156 Ų5615%0.14529%0.292CS..EExtended strand (participates in β ladder)trans-144.7161.5-166.166.2-148.5-156.600112.3Y614 R625 L626E612-Y614 HydrophobicContact CG-CE2 4.43Å; E612-Y614 PolarHBondContact OE1-OH 3.33Å; E612-R625 CarbonylContact C-O 3.6Å; E612-R625 WeakPolarHBondContact CA-O 3.49Å; E612-L626 HydrophobicContact CB-CD2 3.82Å
613W93.8Very high89.4Confident19 Ų1960.9 Ų60.97%0.07231%0.314CS..EExtended strand (participates in β ladder)trans-149.9155.3175.259.3-69.6000109.6L527 C529 L574 F576 Y615 R625 F627L527-W613 HydrophobicContact CD2-CZ3 4.13Å; C529-W613 HydrophobicContact CB-CD2 3.98Å; C529-W613 HydrophobicContact CB-CE3 4.02Å; C529-W613 HydrophobicContact CB-CH2 3.5Å; C529-W613 HydrophobicContact CB-CZ2 3.45Å; C529-W613 VanDerWaalsContact CB-CZ2 3.45Å; C529-W613 HydrophobicContact CB-CZ3 3.77Å; L574-W613 HydrophobicContact CD2-CE3 3.47Å; L574-W613 VanDerWaalsContact CD2-CE3 3.47Å; L574-W613 HydrophobicContact CD2-CZ3 3.49Å; L574-W613 VanDerWaalsContact CD2-CZ3 3.49Å; F576-W613 HydrophobicContact CD1-CB 3.92Å; F576-W613 HydrophobicContact CE1-CB 3.82Å; W613-Y615 VanDerWaalsContact CZ3-CB 3.5Å; W613-Y615 HydrophobicContact CZ3-CD2 4.16Å; W613-Y615 AromaticContact CZ3-CG 3.91Å; W613-Y615 HydrophobicContact CZ3-CG 3.91Å; W613-R625 HydrophobicContact CD2-CB 3.92Å; W613-R625 VanDerWaalsContact CE2-CB 3.42Å; W613-R625 HydrophobicContact CG-CB 4.2Å; W613-R625 HydrophobicContact CH2-CG 4.37Å; W613-R625 HydrophobicContact CZ2-CB 3.76Å; W613-R625 HydrophobicContact CZ2-CG 4Å; W613-R625 PolarHBondContact N-O 2.8Å; W613-R625 PolarHBondContact O-N 2.68Å; W613-F627 HydrophobicContact CB-CE2 3.88Å; W613-F627 HydrophobicContact CB-CZ 4.09Å; W613-F627 AromaticContact CD1-CD2 3.62Å; W613-F627 AromaticContact CD1-CE1 3.78Å; W613-F627 AromaticContact CD1-CE2 3.33Å; W613-F627 AromaticContact CD1-CG 3.98Å; W613-F627 AromaticContact CD1-CZ 3.42Å; W613-F627 VanDerWaalsContact CD1-CZ 3.42Å; W613-F627 HydrophobicContact CG-CD2 4.5Å; W613-F627 HydrophobicContact CG-CE1 4.41Å; W613-F627 AromaticContact CG-CE2 3.82Å; W613-F627 HydrophobicContact CG-CE2 3.82Å; W613-F627 AromaticContact CG-CZ 3.78Å; W613-F627 HydrophobicContact CG-CZ 3.78Å; W613-F627 AromaticContact NE1-CE1 3.89Å
614Y93.1Very high89.3Confident55 Ų5565.6 Ų65.622%0.21634%0.336CS..EExtended strand (participates in β ladder)trans-116.3137.9-177.3-61.6-81.4000110.3L574 Q575 E612 E623 E624L574-Y614 CarbonylContact C-O 3.56Å; L574-Y614 WeakPolarHBondContact CA-O 3.47Å; Q575-Y614 PolarHBondContact N-O 3.37Å; Q575-Y614 WeakPolarHBondContact O-CB 3.21Å; Q575-Y614 PolarHBondContact O-N 2.88Å; E612-Y614 HydrophobicContact CG-CE2 4.43Å; E612-Y614 PolarHBondContact OE1-OH 3.33Å; Y614-E623 WeakPolarHBondContact CA-O 3.41Å; Y614-E624 HydrophobicContact CD1-CB 3.98Å; Y614-E624 HydrophobicContact CD1-CG 4.3Å; Y614-E624 HydrophobicContact CE1-CB 3.65Å; Y614-E624 HydrophobicContact CE1-CG 3.64Å; Y614-E624 VanDerWaalsContact CE1-OE1 3.32Å; Y614-E624 WeakPolarHBondContact CE1-OE1 3.23Å; Y614-E624 PolarHBondContact OH-OE1 2.82Å
615Y92.6Very high89.3Confident27 Ų2766.8 Ų66.811%0.10633%0.328CS..EExtended strand (participates in β ladder)trans-143.8136-172.3170.8-103.6000113.3C524 P525 L527 F572 F573 L574 W613 L622 E623C524-Y615 VanDerWaalsContact SG-CZ 3.51Å; C524-Y615 PolarHBondContact SG-OH 3.43Å; P525-Y615 PolarHBondContact O-OH 2.88Å; L527-Y615 HydrophobicContact CB-CE2 3.91Å; L527-Y615 HydrophobicContact CD2-CD2 3.53Å; L527-Y615 HydrophobicContact CD2-CE2 3.34Å; L527-Y615 HydrophobicContact CD2-CG 4.46Å; L527-Y615 HydrophobicContact CG-CE2 4.25Å; F572-Y615 HydrophobicContact CB-CD2 4.32Å; F572-Y615 HydrophobicContact CB-CE2 3.51Å; F572-Y615 HydrophobicContact CD2-CD2 4.45Å; F572-Y615 HydrophobicContact CD2-CE2 4.09Å; F572-Y615 AromaticContact CG-CE2 3.85Å; F572-Y615 HydrophobicContact CG-CE2 3.85Å; F573-Y615 WeakPolarHBondContact O-CA 3.42Å; L574-Y615 HydrophobicContact CD2-CD2 3.73Å; L574-Y615 HydrophobicContact CD2-CG 4.4Å; W613-Y615 VanDerWaalsContact CZ3-CB 3.5Å; W613-Y615 HydrophobicContact CZ3-CD2 4.16Å; W613-Y615 AromaticContact CZ3-CG 3.91Å; W613-Y615 HydrophobicContact CZ3-CG 3.91Å; Y615-L622 WeakPolarHBondContact O-CA 3.36Å; Y615-E623 PolarHBondContact N-O 3.06Å; Y615-E623 PolarHBondContact O-N 3.14Å
616G90.1Very high89.4Confident5 Ų563.3 Ų63.35%0.05231%0.314CS..EExtended strand (participates in β ladder)trans-170.2178-179.300000113.6F572 F573 S621F572-G616 CarbonylContact C-O 3.57Å; F572-G616 VanDerWaalsContact CA-O 3.29Å; F572-G616 WeakPolarHBondContact CA-O 3.4Å; F573-G616 PolarHBondContact N-O 3.1Å; F573-G616 PolarHBondContact O-N 2.95Å; F573-G616 VanDerWaalsContact O-N 3.1Å; G616-S621 WeakPolarHBondContact CA-O 3.43Å
617V86.4Confident89.3Confident37 Ų3763.2 Ų63.222%0.22431%0.312CS..SBendtrans-68.1-42.5176.1-177.20000110.2C524 S621C524-V617 HydrophobicContact CB-CG2 3.6Å; C524-V617 VanDerWaalsContact SG-CG2 3.54Å; C524-V617 PolarHBondContact SG-N 3.42Å; C524-V617 VanDerWaalsContact SG-N 3.39Å; V617-S621 PolarHBondContact N-OG 3.32Å; V617-S621 VanDerWaalsContact N-OG 3.15Å
618N84.1Confident89Confident67 Ų6765.7 Ų65.736%0.35833%0.333SS..SBendtrans-141.2172.2178.3-64.3-60000110D620 S621N618-D620 PolarHBondContact O-N 3.31Å; N618-D620 VanDerWaalsContact O-N 3.13Å; N618-S621 PolarHBondContact N-OG 2.65Å; N618-S621 PolarHBondContact O-N 2.82Å; N618-S621 PolarHBondContact O-OG 2.98Å
619N81.1Confident88.8Confident88 Ų8865.5 Ų65.547%0.47133%0.326SS..G310 helixtrans-54-29.3178-167.171.1000114.2F573 Q575 S621 L622F573-N619 HydrophobicContact CE1-CB 4.48Å; Q575-N619 PolarHBondContact OE1-OD1 2.88Å; N619-S621 VanDerWaalsContact C-N 3.3Å; N619-S621 PolarHBondContact O-N 2.85Å; N619-L622 WeakPolarHBondContact O-CG 3.46Å
620D80.2Confident88.5Confident156 Ų15668.1 Ų68.183%0.83434%0.339SS*.G310 helixtrans-86.11.5-178.5-44.2-56000113.7N618N618-D620 PolarHBondContact O-N 3.31Å; N618-D620 VanDerWaalsContact O-N 3.13Å
621S83.9Confident88Confident55 Ų5574.9 Ų74.939%0.38537%0.37SS..G310 helixtrans-131.130.6-172.758.60000112.6G616 V617 N618 N619G616-S621 WeakPolarHBondContact CA-O 3.43Å; V617-S621 PolarHBondContact N-OG 3.32Å; V617-S621 VanDerWaalsContact N-OG 3.15Å; N618-S621 PolarHBondContact N-OG 2.65Å; N618-S621 PolarHBondContact O-N 2.82Å; N618-S621 PolarHBondContact O-OG 2.98Å; N619-S621 VanDerWaalsContact C-N 3.3Å; N619-S621 PolarHBondContact O-N 2.85Å
622L89.4Confident87.8Confident47 Ų4771.1 Ų71.125%0.24636%0.357CS..PPolyproline II helixtrans-80.1120.8-176.4-68.3175.8000111.9F573 Q575 Y615 N619F573-L622 HydrophobicContact CD1-CD1 4.47Å; F573-L622 HydrophobicContact CD1-CD2 4.19Å; Q575-L622 HydrophobicContact CB-CD1 4.04Å; Y615-L622 WeakPolarHBondContact O-CA 3.36Å; N619-L622 WeakPolarHBondContact O-CG 3.46Å
623E89.7Confident87.5Confident105 Ų10572.6 Ų72.649%0.49137%0.368SS..EExtended strand (participates in β ladder)trans-91.8137.8165.9-65.3179.9178.700110Y614 Y615 R625Y614-E623 WeakPolarHBondContact CA-O 3.41Å; Y615-E623 PolarHBondContact N-O 3.06Å; Y615-E623 PolarHBondContact O-N 3.14Å; E623-R625 IonicContact OE2-CZ 3.59Å; E623-R625 IonicContact OE2-NE 2.68Å; E623-R625 IonicContact OE2-NH2 3.2Å; E623-R625 PolarHBondContact OE2-NH2 3.18Å
624E92.5Very high87Confident110 Ų11075.3 Ų75.351%0.51438%0.384SS..EExtended strand (participates in β ladder)trans-73.5138.7169.7-172.8167.2-10200111.1Y614Y614-E624 HydrophobicContact CD1-CB 3.98Å; Y614-E624 HydrophobicContact CD1-CG 4.3Å; Y614-E624 HydrophobicContact CE1-CB 3.65Å; Y614-E624 HydrophobicContact CE1-CG 3.64Å; Y614-E624 VanDerWaalsContact CE1-OE1 3.32Å; Y614-E624 WeakPolarHBondContact CE1-OE1 3.23Å; Y614-E624 PolarHBondContact OH-OE1 2.82Å
625R91Very high86.6Confident120 Ų12077.6 Ų77.645%0.45340%0.397SS..EExtended strand (participates in β ladder)trans-137.2124.3176.6-63.5-65.6177.6150.6-5.4109.2E612 W613 E623E612-R625 CarbonylContact C-O 3.6Å; E612-R625 WeakPolarHBondContact CA-O 3.49Å; W613-R625 HydrophobicContact CD2-CB 3.92Å; W613-R625 VanDerWaalsContact CE2-CB 3.42Å; W613-R625 HydrophobicContact CG-CB 4.2Å; W613-R625 HydrophobicContact CH2-CG 4.37Å; W613-R625 HydrophobicContact CZ2-CB 3.76Å; W613-R625 HydrophobicContact CZ2-CG 4Å; W613-R625 PolarHBondContact N-O 2.8Å; W613-R625 PolarHBondContact O-N 2.68Å; E623-R625 IonicContact OE2-CZ 3.59Å; E623-R625 IonicContact OE2-NE 2.68Å; E623-R625 IonicContact OE2-NH2 3.2Å; E623-R625 PolarHBondContact OE2-NH2 3.18Å
626L90.6Very high86.2Confident86 Ų8682.5 Ų82.545%0.4542%0.419SS..EExtended strand (participates in β ladder)trans-80.2143.6170.9-59.6-175.9000110.2E612E612-L626 HydrophobicContact CB-CD2 3.82Å
627F90.6Very high85.8Confident10 Ų1086 Ų864%0.04444%0.436CS..  trans-78.5149.5166.7-73.9-77.1000110.6C529 Q531 L536 W610 R611 W613 N629 N632C529-F627 HydrophobicContact CB-CE1 4.3Å; Q531-F627 HydrophobicContact CB-CD1 4.43Å; Q531-F627 HydrophobicContact CB-CE1 4.11Å; Q531-F627 HydrophobicContact CG-CD1 3.78Å; Q531-F627 HydrophobicContact CG-CE1 3.97Å; Q531-F627 HydrophobicContact CG-CG 4.21Å; Q531-F627 VanDerWaalsContact NE2-CB 3.25Å; L536-F627 HydrophobicContact CD2-CZ 4.04Å; W610-F627 HydrophobicContact CB-CD2 4.14Å; W610-F627 HydrophobicContact CB-CE2 3.98Å; W610-F627 VanDerWaalsContact O-CD2 3.31Å; W610-F627 WeakPolarHBondContact O-CD2 3.4Å; R611-F627 PolarHBondContact O-N 3.39Å; W613-F627 HydrophobicContact CB-CE2 3.88Å; W613-F627 HydrophobicContact CB-CZ 4.09Å; W613-F627 AromaticContact CD1-CD2 3.62Å; W613-F627 AromaticContact CD1-CE1 3.78Å; W613-F627 AromaticContact CD1-CE2 3.33Å; W613-F627 AromaticContact CD1-CG 3.98Å; W613-F627 AromaticContact CD1-CZ 3.42Å; W613-F627 VanDerWaalsContact CD1-CZ 3.42Å; W613-F627 HydrophobicContact CG-CD2 4.5Å; W613-F627 HydrophobicContact CG-CE1 4.41Å; W613-F627 AromaticContact CG-CE2 3.82Å; W613-F627 HydrophobicContact CG-CE2 3.82Å; W613-F627 AromaticContact CG-CZ 3.78Å; W613-F627 HydrophobicContact CG-CZ 3.78Å; W613-F627 AromaticContact NE1-CE1 3.89Å; F627-N629 PolarHBondContact O-N 2.94Å; F627-N629 VanDerWaalsContact O-N 3.09Å; F627-N632 PolarHBondContact O-ND2 2.84Å
628V85.2Confident85.4Confident139 Ų13989.9 Ų89.984%0.84245%0.451SS*.  trans-77.297.1170.7-174.40000108.4V633V628-V633 HydrophobicContact CG1-CG2 4.2Å
629N84.9Confident85.2Confident21 Ų2193.2 Ų93.211%0.11247%0.465CS..  trans-133.1167.1174.268.930.7000109.7W610 F627 E631 N632 V633W610-N629 PolarHBondContact O-ND2 2.96Å; F627-N629 PolarHBondContact O-N 2.94Å; F627-N629 VanDerWaalsContact O-N 3.09Å; N629-E631 VanDerWaalsContact C-N 3.31Å; N629-E631 PolarHBondContact O-N 3.1Å; N629-E631 PolarHBondContact OD1-N 2.94Å; N629-N632 PolarHBondContact ND2-ND2 2.86Å; N629-N632 VanDerWaalsContact OD1-CB 3.27Å; N629-N632 WeakPolarHBondContact OD1-CB 3.34Å; N629-N632 VanDerWaalsContact OD1-CG 3.28Å; N629-N632 PolarHBondContact OD1-N 3.14Å; N629-N632 PolarHBondContact OD1-ND2 3.38Å; N629-V633 WeakPolarHBondContact O-CB 3.41Å; N629-V633 VanDerWaalsContact O-CG2 3.27Å; N629-V633 WeakPolarHBondContact O-CG2 3.4Å; N629-V633 PolarHBondContact O-N 3.46Å
630E83.4Confident84.7Confident155 Ų15593 Ų9372%0.72447%0.467SS*.Hα-helixtrans-60.6-39.2-175.7-179.1170.9-177.400112.6N634E630-N634 WeakPolarHBondContact CG-ND2 3.48Å; E630-N634 VanDerWaalsContact O-CB 3.28Å; E630-N634 WeakPolarHBondContact O-CB 3.23Å; E630-N634 PolarHBondContact O-N 3.49Å; E630-N634 PolarHBondContact O-ND2 2.83Å
631E82.4Confident84Confident148 Ų14891.7 Ų91.769%0.69246%0.459SS*.Hα-helixtrans-66.1-50.7-178.5-64.5176.7178.100111.7N629 V633 N634 E635N629-E631 VanDerWaalsContact C-N 3.31Å; N629-E631 PolarHBondContact O-N 3.1Å; N629-E631 PolarHBondContact OD1-N 2.94Å; E631-V633 VanDerWaalsContact C-N 3.34Å; E631-V633 PolarHBondContact O-N 3.48Å; E631-N634 PolarHBondContact O-N 3.12Å; E631-E635 WeakPolarHBondContact O-CB 3.42Å; E631-E635 PolarHBondContact O-N 2.94Å
632N87.7Confident82.7Confident12 Ų1293 Ų936%0.06447%0.468CS..Hα-helixtrans-64-37177.5-72-18.6000112.4R611 F627 N629 F636R611-N632 WeakPolarHBondContact CG-OD1 3.47Å; R611-N632 PolarHBondContact NE-OD1 2.7Å; R611-N632 PolarHBondContact O-ND2 3.44Å; F627-N632 PolarHBondContact O-ND2 2.84Å; N629-N632 PolarHBondContact ND2-ND2 2.86Å; N629-N632 VanDerWaalsContact OD1-CB 3.27Å; N629-N632 WeakPolarHBondContact OD1-CB 3.34Å; N629-N632 VanDerWaalsContact OD1-CG 3.28Å; N629-N632 PolarHBondContact OD1-N 3.14Å; N629-N632 PolarHBondContact OD1-ND2 3.38Å; N632-F636 WeakPolarHBondContact O-CB 3.3Å; N632-F636 PolarHBondContact O-N 2.85Å
633V85.9Confident80.4Confident63 Ų6394.1 Ų94.138%0.38248%0.48SS..Hα-helixtrans-69.4-42.2177.3170.50000110.6V628 N629 E631 L637V628-V633 HydrophobicContact CG1-CG2 4.2Å; N629-V633 WeakPolarHBondContact O-CB 3.41Å; N629-V633 VanDerWaalsContact O-CG2 3.27Å; N629-V633 WeakPolarHBondContact O-CG2 3.4Å; N629-V633 PolarHBondContact O-N 3.46Å; E631-V633 VanDerWaalsContact C-N 3.34Å; E631-V633 PolarHBondContact O-N 3.48Å; V633-L637 HydrophobicContact CG1-CD1 3.95Å; V633-L637 HydrophobicContact CG1-CG 4.46Å; V633-L637 WeakPolarHBondContact O-CB 3.36Å; V633-L637 VanDerWaalsContact O-CG 3.22Å; V633-L637 WeakPolarHBondContact O-CG 3.48Å; V633-L637 PolarHBondContact O-N 3.37Å
634N82.4Confident78.2Confident76 Ų7694.1 Ų94.141%0.40649%0.489SS..Hα-helixtrans-67.1-41.9175.7-70.9-20.4000111.5E630 E631 F636 L637 E638E630-N634 WeakPolarHBondContact CG-ND2 3.48Å; E630-N634 VanDerWaalsContact O-CB 3.28Å; E630-N634 WeakPolarHBondContact O-CB 3.23Å; E630-N634 PolarHBondContact O-N 3.49Å; E630-N634 PolarHBondContact O-ND2 2.83Å; E631-N634 PolarHBondContact O-N 3.12Å; N634-F636 PolarHBondContact O-N 3.3Å; N634-L637 PolarHBondContact O-N 3.23Å; N634-E638 WeakPolarHBondContact O-CB 3.29Å; N634-E638 WeakPolarHBondContact O-CG 3.47Å; N634-E638 PolarHBondContact O-N 3.17Å
635E85.3Confident75.7Confident103 Ų10397.4 Ų97.448%0.48150%0.502SS..Hα-helixtrans-58.6-47.2175.1-173178.4-17300111.3R611 E631 E638 E639R611-E635 IonicContact CZ-OE2 3.29Å; R611-E635 IonicContact NE-OE2 2.68Å; R611-E635 IonicContact NH2-OE1 3.54Å; R611-E635 PolarHBondContact NH2-OE1 3.48Å; R611-E635 IonicContact NH2-OE2 3.51Å; R611-E635 PolarHBondContact NH2-OE2 3.15Å; E631-E635 WeakPolarHBondContact O-CB 3.42Å; E631-E635 PolarHBondContact O-N 2.94Å; E635-E638 PolarHBondContact O-N 3.03Å; E635-E639 PolarHBondContact O-N 3.13Å
636F83.1Confident73.3Confident129 Ų129100.9 Ų100.957%0.56652%0.52SS*.Hα-helixtrans-62.5-42.3175.4176.9-99.1000112.8N632 N634 E639 V640N632-F636 WeakPolarHBondContact O-CB 3.3Å; N632-F636 PolarHBondContact O-N 2.85Å; N634-F636 PolarHBondContact O-N 3.3Å; F636-E639 PolarHBondContact O-N 2.74Å; F636-V640 HydrophobicContact CD1-CG2 4.42Å; F636-V640 HydrophobicContact CE1-CG2 4.01Å; F636-V640 HydrophobicContact CE2-CG2 4.1Å; F636-V640 HydrophobicContact CZ-CG2 3.84Å; F636-V640 WeakPolarHBondContact O-CB 3.32Å; F636-V640 VanDerWaalsContact O-CG2 3.28Å; F636-V640 WeakPolarHBondContact O-CG2 3.05Å; F636-V640 PolarHBondContact O-N 3.14Å
637L81.3Confident70.6Confident80 Ų80103.5 Ų103.542%0.41953%0.53SS..Hα-helixtrans-64.9-42.9176.5-73.3171.2000111.3V633 N634 V640 L641V633-L637 HydrophobicContact CG1-CD1 3.95Å; V633-L637 HydrophobicContact CG1-CG 4.46Å; V633-L637 WeakPolarHBondContact O-CB 3.36Å; V633-L637 VanDerWaalsContact O-CG 3.22Å; V633-L637 WeakPolarHBondContact O-CG 3.48Å; V633-L637 PolarHBondContact O-N 3.37Å; N634-L637 PolarHBondContact O-N 3.23Å; L637-V640 PolarHBondContact O-N 3.01Å; L637-L641 VanDerWaalsContact O-CB 3.27Å; L637-L641 WeakPolarHBondContact O-CB 3.08Å; L637-L641 WeakPolarHBondContact O-CD1 3.36Å; L637-L641 WeakPolarHBondContact O-CG 3.41Å; L637-L641 PolarHBondContact O-N 3.48Å
638E79.3Confident67.7Low117 Ų117108.4 Ų108.455%0.54756%0.564SS.*Hα-helixtrans-65.7-36.6175.7-70.6-62.214900111.9N634 E635 L641 S642N634-E638 WeakPolarHBondContact O-CB 3.29Å; N634-E638 WeakPolarHBondContact O-CG 3.47Å; N634-E638 PolarHBondContact O-N 3.17Å; E635-E638 PolarHBondContact O-N 3.03Å; E638-L641 PolarHBondContact O-N 3.43Å; E638-S642 WeakPolarHBondContact O-CA 3.5Å; E638-S642 WeakPolarHBondContact O-CB 3.44Å; E638-S642 PolarHBondContact O-N 2.84Å; E638-S642 PolarHBondContact O-OG 3.21Å
639E78.3Confident65.3Low138 Ų138109 Ų10965%0.64556%0.56SS**Hα-helixtrans-62.7-45.8173.3-171.8-174168.200111.8E635 F636 L641 S643E635-E639 PolarHBondContact O-N 3.13Å; F636-E639 PolarHBondContact O-N 2.74Å; E639-L641 VanDerWaalsContact C-N 3.32Å; E639-L641 PolarHBondContact O-N 3.31Å; E639-S643 PolarHBondContact O-N 3.01Å; E639-S643 PolarHBondContact O-OG 3.12Å
640V72.6Confident62.7Low83 Ų83112.8 Ų112.850%0.50359%0.588SS.*Hα-helixtrans-66.4-32.3177.7170.90000112.1F636 L637 S643F636-V640 HydrophobicContact CD1-CG2 4.42Å; F636-V640 HydrophobicContact CE1-CG2 4.01Å; F636-V640 HydrophobicContact CE2-CG2 4.1Å; F636-V640 HydrophobicContact CZ-CG2 3.84Å; F636-V640 WeakPolarHBondContact O-CB 3.32Å; F636-V640 VanDerWaalsContact O-CG2 3.28Å; F636-V640 WeakPolarHBondContact O-CG2 3.05Å; F636-V640 PolarHBondContact O-N 3.14Å; L637-V640 PolarHBondContact O-N 3.01Å; V640-S643 PolarHBondContact O-OG 3.21Å
641L65.3Low61Low129 Ų129112.7 Ų112.768%0.67559%0.592SS**Hα-helixtrans-88.9-27.8-179.9-67.1170000113.5L637 E638 E639L637-L641 VanDerWaalsContact O-CB 3.27Å; L637-L641 WeakPolarHBondContact O-CB 3.08Å; L637-L641 WeakPolarHBondContact O-CD1 3.36Å; L637-L641 WeakPolarHBondContact O-CG 3.41Å; L637-L641 PolarHBondContact O-N 3.48Å; E638-L641 PolarHBondContact O-N 3.43Å; E639-L641 VanDerWaalsContact C-N 3.32Å; E639-L641 PolarHBondContact O-N 3.31Å
642S55.2Low58.8Low82 Ų82111.6 Ų111.657%0.57360%0.595SS**Hα-helixtrans-88-6.4-177.1-62.90000114.2E638 P644E638-S642 WeakPolarHBondContact O-CA 3.5Å; E638-S642 WeakPolarHBondContact O-CB 3.44Å; E638-S642 PolarHBondContact O-N 2.84Å; E638-S642 PolarHBondContact O-OG 3.21Å; S642-P644 WeakPolarHBondContact O-CD 3.22Å
643S41.3Very low56.4Low70 Ų70116.3 Ų116.349%0.4963%0.626SS.*SBendtrans-89.4100.6178.742.80000111.2E639 V640 F645E639-S643 PolarHBondContact O-N 3.01Å; E639-S643 PolarHBondContact O-OG 3.12Å; V640-S643 PolarHBondContact O-OG 3.21Å; S643-F645 PolarHBondContact O-N 3.13Å; S643-F645 VanDerWaalsContact O-N 3.14Å
644P44.7Very low54.2Low106 Ų106117.4 Ų117.469%0.68864%0.635SS**  trans-69.6117.3178.628.8-35.1000109.9S642 K646S642-P644 WeakPolarHBondContact O-CD 3.22Å; P644-K646 VanDerWaalsContact C-N 3.29Å; P644-K646 PolarHBondContact O-N 3.14Å
645F39.1Very low52.2Low178 Ų178120.4 Ų120.478%0.78165%0.651SS**  trans-56.985.3171.6-109.2-104.1000111.4S643 Q647S643-F645 PolarHBondContact O-N 3.13Å; S643-F645 VanDerWaalsContact O-N 3.14Å; F645-Q647 HydrophobicContact CD1-CG 4.12Å; F645-Q647 PolarHBondContact O-N 3.22Å
646K39.8Very low50.5Low194 Ų194120.3 Ų120.384%0.84365%0.652SS**  trans-77.973165-76.3-172.6178.1177.30109.4P644 C648P644-K646 VanDerWaalsContact C-N 3.29Å; P644-K646 PolarHBondContact O-N 3.14Å; K646-C648 PolarHBondContact O-N 3.47Å
647Q35Very low48.8Very low140 Ų140119.7 Ų119.765%0.65465%0.651SS**  trans-65.781.9159.6-88.4178.1-9.100109.5F645 M649F645-Q647 HydrophobicContact CD1-CG 4.12Å; F645-Q647 PolarHBondContact O-N 3.22Å; Q647-M649 VanDerWaalsContact C-N 3.35Å; Q647-M649 PolarHBondContact O-N 2.98Å
648C28.8Very low47.2Very low113 Ų113119.6 Ų119.676%0.76465%0.653SS**  trans-76.894.8154.8-166.20000107K646 S650K646-C648 PolarHBondContact O-N 3.47Å; C648-S650 PolarHBondContact O-N 2.87Å
649M35.6Very low46Very low151 Ų151119.6 Ų119.674%0.74466%0.657SS**  trans-67.482.6168.5-79.6-86.7-176.700109.2Q647 L651Q647-M649 VanDerWaalsContact C-N 3.35Å; Q647-M649 PolarHBondContact O-N 2.98Å; M649-L651 PolarHBondContact O-N 2.84Å; M649-L651 VanDerWaalsContact O-N 3.12Å
650S29.6Very low44.3Very low101 Ų101119.4 Ų119.471%0.70666%0.656SS**  trans-75.593.716459.70000108.6C648C648-S650 PolarHBondContact O-N 2.87Å
651L48Very low42.9Very low153 Ų153120 Ų12080%0.80166%0.659SS**  trans-61.3134.3173-79.5160.5000110.4M649M649-L651 PolarHBondContact O-N 2.84Å; M649-L651 VanDerWaalsContact O-N 3.12Å
652T35.7Very low42.4Very low125 Ų125117.2 Ų117.277%0.76765%0.648SS**SBendtrans79.1121178.5-18.30000115.7
653P37.4Very low41.9Very low111 Ų111121.5 Ų121.572%0.72166%0.664SS**  trans-71.9153.9170.531.4-34.7000111.3
654P39.7Very low42Very low87 Ų87125.8 Ų125.857%0.56568%0.682SS**  trans-64.6142.8175.228.2-34.6000111I656P654-I656 PolarHBondContact O-N 2.82Å; P654-I656 VanDerWaalsContact O-N 3.17Å
655L42.1Very low41.7Very low139 Ų139126.5 Ų126.573%0.72867%0.674SS**  trans-74.1108.1175.1-154.186.5000109.2
656I49.9Very low42.1Very low101 Ų101123.1 Ų123.152%0.51866%0.663SS.*EExtended strand (participates in β ladder)trans-98.8111.3179-62173.2000108.2P654 V658 I668P654-I656 PolarHBondContact O-N 2.82Å; P654-I656 VanDerWaalsContact O-N 3.17Å; I656-V658 HydrophobicContact CG2-CG2 4.38Å; I656-I668 HydrophobicContact CG2-CG2 3.41Å; I656-I668 VanDerWaalsContact CG2-CG2 3.41Å
657E46.1Very low42.1Very low116 Ų116118.9 Ų118.954%0.54265%0.646SS.*EExtended strand (participates in β ladder)trans-97.9115.8170.4-76.1-173.2147.200109.8N669E657-N669 PolarHBondContact N-O 3.08Å; E657-N669 PolarHBondContact O-N 2.9Å
658V47.4Very low43.1Very low77 Ų77117 Ų11747%0.46764%0.64SS.*EExtended strand (participates in β ladder)trans-88.7107170.8-177.30000107.6I656 V661 I666 I668I656-V658 HydrophobicContact CG2-CG2 4.38Å; V658-V661 HydrophobicContact CG1-CG2 3.67Å; V658-I666 HydrophobicContact CG1-CG2 4.43Å; V658-I668 HydrophobicContact CG2-CG1 4.39Å
659L53.7Low43.7Very low117 Ų117115.4 Ų115.461%0.61362%0.624SS**EExtended strand (participates in β ladder)trans-81.2-33.4-172.8-66.3172.5000112.3E667 N669L659-E667 PolarHBondContact N-O 2.61Å; L659-N669 HydrophobicContact CD1-CB 4.27Å
660Q43.4Very low44.2Very low134 Ų134111.5 Ų111.563%0.62662%0.615SS**EExtended strand (participates in β ladder)trans-157.2144.4175.7-153.117110.700112.6E667Q660-E667 PolarHBondContact O-N 3.46Å
661V42.7Very low44.8Very low95 Ų95114.4 Ų114.458%0.57662%0.615SS**EExtended strand (participates in β ladder)trans-126.1130.3171.2175.80000108.1V658 I666V658-V661 HydrophobicContact CG1-CG2 3.67Å; V661-I666 HydrophobicContact CG1-CG1 4.18Å; V661-I666 HydrophobicContact CG2-CG1 4.38Å; V661-I666 HydrophobicContact CG2-CG2 4.3Å
662T54.8Low44.7Very low72 Ų72114.8 Ų114.844%0.44262%0.617SS.*EExtended strand (participates in β ladder)trans-140.6158.9169.257.40000108.8N664 K665T662-N664 PolarHBondContact O-N 2.82Å; T662-K665 PolarHBondContact N-O 3.48Å; T662-K665 CarbonylContact O-C 3.57Å; T662-K665 PolarHBondContact O-N 3.15Å; T662-K665 VanDerWaalsContact O-O 3.04Å; T662-K665 PolarHBondContact OG1-N 2.89Å; T662-K665 PolarHBondContact OG1-O 3.12Å; T662-K665 VanDerWaalsContact OG1-O 3.12Å
663D45Very low44.9Very low171 Ų171117.7 Ų117.791%0.91462%0.622SS**THydrogen-bonded Turntrans-50.9-25.3-174.9-55.1-15.3000114.4
664N44.2Very low45Very low160 Ų160121 Ų12186%0.85663%0.628SS**THydrogen-bonded Turntrans-115.6-1.9-176.3-63.316.6000114.4T662T662-N664 PolarHBondContact O-N 2.82Å
665K38Very low44.5Very low122 Ų122122.7 Ų122.753%0.5364%0.64SS.*EExtended strand (participates in β ladder)trans-160.8137.6176.3-158.3-173-174.9-165.70112.8T662 E667T662-K665 PolarHBondContact N-O 3.48Å; T662-K665 CarbonylContact O-C 3.57Å; T662-K665 PolarHBondContact O-N 3.15Å; T662-K665 VanDerWaalsContact O-O 3.04Å; T662-K665 PolarHBondContact OG1-N 2.89Å; T662-K665 PolarHBondContact OG1-O 3.12Å; T662-K665 VanDerWaalsContact OG1-O 3.12Å; K665-E667 WeakPolarHBondContact CE-OE1 3.49Å; K665-E667 IonicContact NZ-OE1 2.59Å; K665-E667 PolarHBondContact NZ-OE1 2.87Å
666I47.9Very low43.9Very low107 Ų107119.3 Ų119.355%0.54964%0.639SS.*EExtended strand (participates in β ladder)trans-116.4134.7166.8-59.7175.4000107.7V658 V661 I668V658-I666 HydrophobicContact CG1-CG2 4.43Å; V661-I666 HydrophobicContact CG1-CG1 4.18Å; V661-I666 HydrophobicContact CG2-CG1 4.38Å; V661-I666 HydrophobicContact CG2-CG2 4.3Å; I666-I668 HydrophobicContact CG2-CD1 4.08Å; I666-I668 HydrophobicContact CG2-CG1 3.76Å
667E40Very low43Very low104 Ų104122.2 Ų122.249%0.48666%0.655SS.*EExtended strand (participates in β ladder)trans-126.6115.3178.5-158.1159.4-106.600109.9L659 Q660 K665L659-E667 PolarHBondContact N-O 2.61Å; Q660-E667 PolarHBondContact O-N 3.46Å; K665-E667 WeakPolarHBondContact CE-OE1 3.49Å; K665-E667 IonicContact NZ-OE1 2.59Å; K665-E667 PolarHBondContact NZ-OE1 2.87Å
668I55.8Low42.3Very low101 Ų101122.1 Ų122.152%0.51867%0.668SS.*EExtended strand (participates in β ladder)trans-116.2131.2-171.2-52.6-176.8000108.7I656 V658 I666I656-I668 HydrophobicContact CG2-CG2 3.41Å; I656-I668 VanDerWaalsContact CG2-CG2 3.41Å; V658-I668 HydrophobicContact CG2-CG1 4.39Å; I666-I668 HydrophobicContact CG2-CD1 4.08Å; I666-I668 HydrophobicContact CG2-CG1 3.76Å
669N41.5Very low41.7Very low80 Ų80125.6 Ų125.643%0.42868%0.684SS.*EExtended strand (participates in β ladder)trans-107.8119.5171-1642.7000109.7E657 L659E657-N669 PolarHBondContact N-O 3.08Å; E657-N669 PolarHBondContact O-N 2.9Å; L659-N669 HydrophobicContact CD1-CB 4.27Å
670A45Very low40.5Very low68 Ų68129.3 Ų129.356%0.56270%0.698SS**EExtended strand (participates in β ladder)trans-115106.9176.100000108.9
671K42.6Very low39.9Very low162 Ų162130.7 Ų130.770%0.70471%0.709SS**  trans-85.9116170.1-82.3-178.3176.1173.10109.4Q673K671-Q673 PolarHBondContact O-N 3.36Å
672L45.7Very low39.2Very low161 Ų161135.4 Ų135.484%0.84372%0.724SS**  trans-67.5122.6162-120.9106.3000108.3
673Q40.4Very low37.8Very low187 Ų187135.2 Ų135.287%0.87474%0.737SS**  trans-93.595.6172.2-171.4169.73.700108.4K671 C675K671-Q673 PolarHBondContact O-N 3.36Å; Q673-C675 PolarHBondContact O-N 2.98Å; Q673-C675 VanDerWaalsContact O-N 3.09Å
674E39.4Very low37Very low181 Ų181136.5 Ų136.585%0.84673%0.734SS**  trans-63.6109.7171.9-70.4-176.6155.900109.5G676E674-G676 PolarHBondContact O-N 3.18Å
675C29.9Very low36.2Very low121 Ų121136.8 Ų136.882%0.81873%0.73SS**  trans-84.890.7172-153.60000108.9Q673 N677Q673-C675 PolarHBondContact O-N 2.98Å; Q673-C675 VanDerWaalsContact O-N 3.09Å; C675-N677 PolarHBondContact O-N 3.04Å
676G28.1Very low35.6Very low68 Ų68139.1 Ų139.170%0.70174%0.743SS**  trans-67.8119.3167.800000110.2E674 S678E674-G676 PolarHBondContact O-N 3.18Å; G676-S678 PolarHBondContact O-N 2.84Å
677N32Very low34.7Very low162 Ų162144.4 Ų144.487%0.86676%0.756SS**  trans-65.2131.6165.5-71.1-47000109.3C675C675-N677 PolarHBondContact O-N 3.04Å
678S30.6Very low33.9Very low115 Ų115144.9 Ų144.980%0.80477%0.766SS**  trans-149.2123.4157.4-168.30000110.5G676G676-S678 PolarHBondContact O-N 2.84Å
679D34.3Very low32.5Very low150 Ų150146 Ų14680%0.80277%0.773SS**  trans-62.7149.3178.2-60.2-77.7000113L681D679-L681 PolarHBondContact O-N 3.13Å
680Q29.4Very low31.8Very low194 Ų194149.6 Ų149.691%0.90779%0.787SS**  trans-94.481.9166.7-169.7172.287.400110.2
681L30.2Very low30.9Very low163 Ų163153.8 Ų153.885%0.85380%0.795SS**  trans-123.5126.6160.4-81.9177.1000110.9D679 G683D679-L681 PolarHBondContact O-N 3.13Å; L681-G683 PolarHBondContact O-N 3.25Å
682Q28.2Very low30.1Very low195 Ų195150.3 Ų150.391%0.91179%0.792SS**  trans-76.5117.1-178-72.3178-15.600111.7
683G26.4Very low29.1Very low68 Ų68152.7 Ų152.770%0.70179%0.789SS**  trans63.2118.3131.400000119.9L681L681-G683 PolarHBondContact O-N 3.25Å
684K28.3Very low28.5Very low197 Ų197150.2 Ų150.286%0.85778%0.781SS**  -163.3170105.5-105.9171.6-178.5-175.60112.5
685E26.9Very low27.8Very low167 Ų167146.7 Ų146.778%0.7877%0.772SS**  trans-55.1162.6177.9-60.7128.8136.200112
686E25.9Very low27.7Very low170 Ų170147.4 Ų147.479%0.79476%0.764SS**  cis-166.9146.341.6-153.1-176.3151.700113.8
687R27.2Very low27.8Very low218 Ų218151.7 Ų151.782%0.82376%0.763SS**  trans22.7129.3151.9-71.6-177.3176.8-164.70.1124.8
688V25Very low27.7Very low114 Ų114150.9 Ų150.969%0.69175%0.754SS**  89.5113.9122.8171.10000120.5
689N24.7Very low27.5Very low126 Ų126153.8 Ų153.867%0.67475%0.749SS**  trans48.2158.2138.7-55.812.8000120.3
690E27.2Very low27.3Very low155 Ų155152.8 Ų152.872%0.72474%0.742SS**  cis-158158.123.4-148.6126.3-122.200111
691E25.9Very low27.2Very low155 Ų155152.3 Ų152.372%0.72474%0.74SS**  trans27143150.5-105.7-179.6147.700122.2
692S25.6Very low27Very low90 Ų90153 Ų15363%0.62974%0.738SS**  cis-168157.726-220000112.4
693R26Very low27Very low211 Ų211148.9 Ų148.980%0.79673%0.729SS**  33.2144.3125.2-62.2-177.3169.6173-1.1120.4
694L26.8Very low26.9Very low134 Ų134153.5 Ų153.570%0.70274%0.738SS**  cis-172.9150.97.2-114.6170.1000111.2
695T24.4Very low26.8Very low107 Ų107150 Ų15066%0.65673%0.734SS**  trans44.4121.1147.744.70000125.1
696E27.7Very low26.8Very low137 Ų137147.7 Ų147.764%0.6474%0.735SS**  93.4112.1109.4-165.7163.2-152.300123
697K31.6Very low26.8Very low158 Ų158145.6 Ų145.669%0.68773%0.734SS**  trans64.3163.4144.2-74.4173.8-166.7159.40119
698E28.5Very low26.7Very low144 Ų144141 Ų14167%0.67373%0.731SS**  cis-162.8176.413.8-137.3172.4-161.900113.4
699Y26.6Very low26.8Very low177 Ų177142.3 Ų142.369%0.69473%0.734SS**  trans53125.2165.6-78.3-100.4000119.6
700I31.1Very low26.8Very low129 Ų129141.6 Ų141.666%0.66274%0.739SS**  69.8117.260-65.3171.3000112.9
701E27.3Very low26.8Very low184 Ų184141.7 Ų141.786%0.8674%0.744SS**  -178.517698.3-151.3155.5-154.200112.6
702H26.1Very low26.9Very low178 Ų178139.3 Ų139.382%0.82475%0.745SS**  trans-91.5170.1-166.4-87.8-98.6000116.3
703C28.5Very low27Very low107 Ų107140.1 Ų140.172%0.72375%0.751SS**  trans-48.1159.7177.4-45.80000116.4
704N23.9Very low26.9Very low166 Ų166137.7 Ų137.789%0.88875%0.752SS**  trans-157.6162.6133.6-102.5-38.1000114.2
705T25.9Very low26.8Very low124 Ų124135.4 Ų135.476%0.76175%0.752SS**  trans-82.8152.3-166.952.50000115.9
706S26.7Very low26.9Very low117 Ų117136.5 Ų136.582%0.81876%0.759SS**  174.8163.6120.144.30000114.6
707T25.2Very low27Very low126 Ų126139.2 Ų139.277%0.77377%0.768SS**  trans-49.7154173.546.60000114
708T26.2Very low26.8Very low123 Ų123135.1 Ų135.176%0.75576%0.764SS**  -178.1171.276.2-43.90000109.5
709D26.1Very low26.6Very low141 Ų141136 Ų13675%0.75477%0.772SS**  trans-64154.6-170.3-45.3-87.2000117.6
710S26.6Very low26.6Very low110 Ų110134 Ų13477%0.76977%0.769SS**  144.8111.3122.8-63.60000114.9
711D26Very low26.3Very low157 Ų157135.3 Ų135.384%0.8478%0.776SS**  trans51.4154.1133.1-78-23.9000125.7
712S27.3Very low26.2Very low105 Ų105130.9 Ų130.973%0.73476%0.759SS**  trans72.4111.3173.969.50000115.7
713S28.1Very low26Very low108 Ų108128.5 Ų128.576%0.75576%0.762SS**  cis83141.73892.10000115
714I25Very low25.9Very low159 Ų159132.2 Ų132.282%0.81577%0.766SS**  trans98.896.1-172.7-59.1163.3000111.7
715A24.5Very low26Very low87 Ų87127.3 Ų127.372%0.71976%0.755SS**  cis84.6155.439.800000115.7
716V26.9Very low26.2Very low130 Ų130127.2 Ų127.279%0.78876%0.759SS**  trans83.3135.9170.2178.40000116
717K29.1Very low26.2Very low193 Ų193127.5 Ų127.584%0.83976%0.756SS**  cis-170.6169.1-19.8-99-164.4-176.3177.60106.5
718A27.1Very low26.1Very low73 Ų73128 Ų12860%0.60376%0.759SS**  cis-177.8-174.5-18.200000108.8
719L24.3Very low25.9Very low162 Ų162127.4 Ų127.485%0.84876%0.758SS**  trans108.1107.5163.4-64.8156.1000112.9
720Q26Very low25.8Very low134 Ų134129 Ų12963%0.62676%0.759SS**  cis74.711817.7-157.7-174.98.800117.2D722Q720-D722 WeakPolarHBondContact CG-OD1 3.46Å; Q720-D722 PolarHBondContact NE2-OD1 2.91Å; Q720-D722 PolarHBondContact NE2-OD2 3.17Å
721I25.8Very low25.7Very low158 Ų158131.4 Ų131.481%0.8176%0.758SS**  trans-165.4114.6134.2-85.9144.4000103.3
722D24Very low25.5Very low91 Ų91131.2 Ų131.249%0.48775%0.752SS.*  85.4120.752.5-8314.9000115.6Q720Q720-D722 WeakPolarHBondContact CG-OD1 3.46Å; Q720-D722 PolarHBondContact NE2-OD1 2.91Å; Q720-D722 PolarHBondContact NE2-OD2 3.17Å
723S22.7Very low25.3Very low127 Ų127133.9 Ų133.989%0.88875%0.753SS**  trans-155.5148.8132.2-141.40000112.4
724F27.6Very low25.1Very low185 Ų185133.1 Ų133.181%0.81175%0.747SS**  trans-97.1173-167.5-74.7-113000111.9
725G25.9Very low25.1Very low64 Ų64133.1 Ų133.166%0.6675%0.748SS**  cis148.8-178.1-1.900000112.5
726S28.9Very low25Very low122 Ų122135.5 Ų135.585%0.85375%0.749SS**  trans72.8151.3164.2-89.60000120.2
727V26Very low24.8Very low122 Ų122134.6 Ų134.674%0.73974%0.744SS**  cis-168.1147.2-17.3107.60000107.8
728T24.9Very low24.7Very low138 Ų138129.8 Ų129.885%0.84773%0.734SS**  -163165.188.244.20000113.1
729C22Very low24.5Very low109 Ų109134.2 Ų134.274%0.73674%0.742SS**  trans-130.2-171.4-164.6-162.70000113.9
730F23.3Very low24.5Very low174 Ų174134 Ų13476%0.76374%0.739SS**  trans83.5142.4175.1-59.5-77.2000116.4
731Q24.2Very low24.4Very low162 Ų162134 Ų13476%0.75774%0.742SS**  cis-159.2126.1-0.4-138.7152.77.900106.6
732Q22.8Very low24.5Very low152 Ų152134.3 Ų134.371%0.7174%0.744SS**  62124.182.3-167.4161-4.100117.4
733E22.4Very low24.4Very low162 Ų162133.6 Ų133.676%0.75776%0.759SS**  trans67.8150.7162.7-77.5160.6-151.300119
734S23.4Very low24.5Very low91 Ų91137 Ų13764%0.63676%0.757SS**  cis-169.6172.9-1054.50000111.9
735L24.9Very low24.3Very low160 Ų160132.4 Ų132.484%0.83875%0.748SS**  trans66.9168.9161.6-56.6171.7000119.8
736D22.6Very low24.2Very low137 Ų137138.1 Ų138.173%0.73376%0.758SS**  -169.8162.3-53.8-165.89.3000109
737V23.9Very low24.1Very low111 Ų111140.1 Ų140.167%0.67375%0.754SS**  trans70.5117.9158.8-167.30000122.1
738S25.1Very low24.1Very low91 Ų91140 Ų14064%0.63676%0.756SS**  trans96.6115.8137.8-83.30000126
739Q24.6Very low24Very low167 Ų167141.5 Ų141.578%0.7875%0.753SS**  42.6118.8116.6-54.7-178.813.500120.9
740M22.6Very low24.1Very low158 Ų158142.1 Ų142.178%0.77876%0.759SS**  175.6136.4100.8-99.1-153.4163.500115.6
741I24Very low24.1Very low134 Ų134143.2 Ų143.269%0.68776%0.763SS**  trans48.1109132.4-54.6-175.5000121.1
742L28.4Very low24Very low163 Ų163144.8 Ų144.885%0.85377%0.773SS**  12109129.7-161.782.8000119.1
743G22.8Very low24Very low77 Ų77146.5 Ų146.579%0.79478%0.781SS**  trans-127115.4165.600000112.5
744K24.1Very low24Very low197 Ų197143 Ų14386%0.85777%0.774SS**  trans-80.8147.1164.7-71.6177.2176.9174.90109.4
745S23.3Very low23.9Very low90 Ų90146.3 Ų146.363%0.62978%0.78SS**  139.4132.5121.7-165.20000115.6
746Q23.1Very low23.8Very low184 Ų184147.9 Ų147.986%0.8678%0.78SS**  trans71.7142.1146.9-79.2167.357.800122.2
747Q26.8Very low23.9Very low164 Ų164148 Ų14877%0.76678%0.779SS**  trans-67.1170.6165.5-67.2-144.7-58.900112.5
748P26Very low23.8Very low120 Ų120150.8 Ų150.878%0.77978%0.782SS**  -121.3139.8125.334.7-29.6000112.8
749E23.7Very low23.6Very low168 Ų168153 Ų15379%0.78578%0.782SS**  trans-71.3147.8157.8-65.5-176.5139.700109.8
750S25Very low23.7Very low123 Ų123154.4 Ų154.486%0.8679%0.786SS**  trans-142.6140.815160.70000110.4
751K23.5Very low23.8Very low197 Ų197152.3 Ų152.386%0.85779%0.787SS**  trans-93.4138.4-175-63.6164.5175.9169.80110
752M21.4Very low23.8Very low194 Ų194150.6 Ų150.696%0.95679%0.793SS**  trans-159143135.8-136.3153.6162.700114.2
753Q21.8Very low23.5Very low188 Ų188150 Ų15088%0.87980%0.796SS**  trans-70.7174.3165-73.7160.7-35.500110.7
754S22.2Very low23.5Very low88 Ų88151.4 Ų151.462%0.61579%0.793SS**  cis-167173.7-19.8-178.80000106.4
755E21.6Very low23.5Very low162 Ų162147.1 Ų147.176%0.75779%0.788SS**  trans67.7109.4153.9-83.2142.7-114.400123.6
756F22.7Very low23.8Very low192 Ų192149.3 Ų149.384%0.84279%0.792SS**  64.4134.5105.3-107.2-66000123.9
757I24.8Very low24Very low140 Ų140148.9 Ų148.972%0.71879%0.79SS**  trans74.1114.5158.3-41.5170.4000118.5
758K22.4Very low24.1Very low170 Ų170148.6 Ų148.674%0.73979%0.789SS**  162.814696.4-139.9155.2-171.4-88.80115.5
759E21.7Very low24.2Very low136 Ų136151 Ų15164%0.63679%0.787SS**  trans14.1127.8155.4-68.4173.8124.100125.8
760K25.4Very low24.4Very low197 Ų197149.5 Ų149.586%0.85778%0.784SS**  31.7123.7116.5-61177.9176.3177.40121.7
761S24.2Very low24.5Very low114 Ų114150 Ų15080%0.79778%0.777SS**  -168.8121.5125.954.20000108.3
762A24.7Very low24.7Very low99 Ų99149 Ų14982%0.81878%0.78SS**  83.4112.852.600000114.3
763T22.6Very low25Very low151 Ų151146.9 Ų146.993%0.92677%0.773SS**  trans-133.8137.5156.9-54.50000107.1
764C22Very low25.1Very low106 Ų106146.7 Ų146.772%0.71677%0.772SS**  trans-151147.5-167.8-1740000112.2
765S24.8Very low25.2Very low107 Ų107147 Ų14775%0.74877%0.774SS**  trans-173.4107.1157.444.40000106
766N29.6Very low25.3Very low136 Ų136146 Ų14673%0.72777%0.773SS**  73.9142.175.2-68.7-3000111.6
767E27.5Very low25.6Very low174 Ų174143.7 Ų143.781%0.81377%0.768SS**  cis-137.8136.736.4-67.8161.6161.700112.1
768E28.6Very low25.6Very low158 Ų158141.8 Ų141.874%0.73876%0.763SS**  71.4113101.3-59.1-155123.500116.1
769K29Very low25.9Very low172 Ų172141.5 Ų141.575%0.74876%0.764SS**  69.7144.488.4-77.1-175.3176.11790114.1
770D27.2Very low26.2Very low135 Ų135143 Ų14372%0.72277%0.771SS**  cis-155-175.136.8-132.3-34.7000115.6
771N27.4Very low26.3Very low134 Ų134141 Ų14172%0.71776%0.762SS**  trans-92.9169.2-169.5-58.3-94.4000115.7
772L26.9Very low26.5Very low176 Ų176142.8 Ų142.892%0.92176%0.758SS**  trans-157.3152.3144.7-109.6163.8000112.8
773N27.2Very low26.6Very low150 Ų150143.9 Ų143.980%0.80276%0.755SS**  trans-117.3157.7-170.6-78.5-34.7000112.8
774E23.6Very low26.8Very low183 Ų183144.2 Ų144.286%0.85575%0.751SS**  trans-176.9122.9142-100.8170.2176.100106.3
775S25.4Very low27Very low94 Ų94142.4 Ų142.466%0.65775%0.75SS**  72.3123.951.198.90000111.8
776I24.4Very low27.1Very low143 Ų143144 Ų14473%0.73375%0.75SS**  -172.7150.952.6-111.1152.5000111.9
777I27.8Very low27Very low142 Ų142145 Ų14573%0.72875%0.75SS**  trans14.8148.5145.8-14.5163.4000119.1
778T24.4Very low27.1Very low100 Ų100143.4 Ų143.461%0.61375%0.746SS**  cis-174.7155.641.9-25.70000115.3
779E28.8Very low27Very low165 Ų165140.7 Ų140.777%0.77175%0.745SS**  trans51.8158.7145.6-77.9163.1-174.100121.9
780E27.9Very low26.9Very low167 Ų167137.6 Ų137.678%0.7875%0.745SS**  cis-154.6177.55.3-134.3172.5-170.700113.6
781K29.1Very low26.9Very low156 Ų156138.2 Ų138.268%0.67875%0.747SS**  trans-54.3165.9-178-87.8169.2146.2-129.70121.9
782E27.1Very low26.9Very low151 Ų151138.5 Ų138.571%0.70675%0.748SS**  trans66.1151.2147.3-79.3163-150.200117.4
783T27.9Very low26.9Very low121 Ų121136.9 Ų136.974%0.74274%0.74SS**  cis-140.7158.14.548.80000112.3
784D25.6Very low26.9Very low159 Ų159138.1 Ų138.185%0.8574%0.738SS**  13.4148.2128-153.115.3000121.8
785G26.3Very low27Very low67 Ų67136.3 Ų136.369%0.69174%0.74SS**  trans140.181.8164.800000119.9
786D28.5Very low27.1Very low142 Ų142137.5 Ų137.576%0.75974%0.744SS**  trans18.9134.8140.7-72.2-23.2000125.2
787H27.4Very low27.2Very low156 Ų156135 Ų13572%0.72274%0.735SS**  trans64.2123134-79-97.7000124.3
788L28Very low27.2Very low141 Ų141137.5 Ų137.574%0.73874%0.743SS**  trans76.7104.4133.9-66.7170.1000122
789S27.3Very low27.4Very low100 Ų100139.3 Ų139.370%0.69975%0.749SS**  46.9122.1129.664.80000121.3
790S27Very low27.5Very low107 Ų107139.4 Ų139.475%0.74875%0.753SS**  176.915496.458.40000115.3
791L26.9Very low28Very low148 Ų148137.4 Ų137.478%0.77575%0.754SS**  trans55.5105.6143.5-70.4165000122.5
792L26.6Very low28.1Very low141 Ų141133.6 Ų133.674%0.73876%0.76SS**  64.4114120.2-121.590.2000120.8
793N27.9Very low28.6Very low142 Ų142136.8 Ų136.876%0.75977%0.772SS**  156.3145.1127.3-83.1-51.3000109.4
794K27.5Very low29.1Very low175 Ų175139.1 Ų139.176%0.76178%0.78SS**  cis-175.4110.9-11.7169.8-177.1-179.7179.60107.8
795T26.2Very low29.9Very low145 Ų145134 Ų13489%0.8976%0.757SS**  trans-142.9123.4166.2-45.20000111.7V797T795-V797 PolarHBondContact O-N 3.09Å
796T25.7Very low31Very low119 Ų119137 Ų13773%0.7376%0.755SS**  trans-78.8113.9-174.7-55.10000112.3
797V26.6Very low32.5Very low90 Ų90137.1 Ų137.155%0.54575%0.749SS.*  28.9126.1122.1-175.70000119.4T795T795-V797 PolarHBondContact O-N 3.09Å
798H28.1Very low34Very low196 Ų196135.5 Ų135.591%0.90774%0.742SS**  trans-134.4146.1131.5-92.5-77.4000109.8
799N29.3Very low35.6Very low138 Ų138132.2 Ų132.274%0.73873%0.727SS**  trans-94.9154.8-159.3-63.6-65.6000115.4
800I31.3Very low37.1Very low166 Ų166130.2 Ų130.285%0.85171%0.709SS**  trans-132.8141.4153.6-63.4-177.4000106.8
801P37.4Very low38.6Very low125 Ų125133.9 Ų133.981%0.81272%0.717SS**  trans-97.5145.3-15335.5-35.6000117.2
802G31.9Very low39.9Very low77 Ų77135.5 Ų135.579%0.79472%0.72SS**  80.999.2128.700000119.8
803F36.5Very low41.8Very low217 Ų217133.8 Ų133.895%0.95271%0.712SS**PPolyproline II helixtrans-94.3136.8148.4-85.6-87.7000109.4S805F803-S805 PolarHBondContact O-N 3.41Å
804D40.1Very low43.3Very low171 Ų171129.5 Ų129.591%0.91470%0.701SS**PPolyproline II helixtrans-65130.2-178.9-77.1-49.6000112.5
805S42.6Very low44.6Very low52 Ų52124 Ų12436%0.36469%0.685SS.*PPolyproline II helixtrans-101.4120.6175.766.20000110.4F803 K807F803-S805 PolarHBondContact O-N 3.41Å; S805-K807 PolarHBondContact O-N 3.5Å
806I49.3Very low46.1Very low129 Ų129121 Ų12166%0.66267%0.666SS**EExtended strand (participates in β ladder)trans-66.7130.7175.9-59.4174.1000109V818 I819I806-V818 WeakPolarHBondContact O-CA 3.34Å; I806-I819 PolarHBondContact O-N 2.59Å; I806-I819 VanDerWaalsContact O-N 3.14Å
807K59.9Low47.4Very low145 Ų145122.1 Ų122.163%0.6366%0.663SS**EExtended strand (participates in β ladder)trans-112.9118.5177-59.8-174.1-178.9173.30108.6S805 V816 Q817 V818S805-K807 PolarHBondContact O-N 3.5Å; K807-V816 HydrophobicContact CB-CG1 3.89Å; K807-V816 HydrophobicContact CD-CG1 4.37Å; K807-V816 HydrophobicContact CG-CG1 4.47Å; K807-Q817 WeakPolarHBondContact CA-O 3.37Å; K807-V818 HydrophobicContact CG-CG2 4.23Å
808E57.9Low48.7Very low121 Ų121121.1 Ų121.157%0.56566%0.657SS**EExtended strand (participates in β ladder)trans-102.1127.1173.4-174.2168.4-160.900108.9V816 Q817 I819E808-V816 CarbonylContact O-C 3.56Å; E808-V816 WeakPolarHBondContact O-CA 3.38Å; E808-Q817 PolarHBondContact N-O 2.88Å; E808-Q817 PolarHBondContact O-N 3.48Å; E808-I819 WeakPolarHBondContact OE2-CD1 3.44Å
809T62.2Low50Low72 Ų72115 Ų11544%0.44263%0.63SS.*EExtended strand (participates in β ladder)trans-107120179.2-54.30000109.4M811 S815 V816T809-M811 PolarHBondContact O-N 3.22Å; T809-S815 CarbonylContact C-O 3.55Å; T809-S815 WeakPolarHBondContact CA-O 3.3Å; T809-V816 HydrophobicContact CG2-CG2 4.02Å
810N59.3Low50.9Low58 Ų58116.2 Ų116.231%0.3163%0.629SS.*  trans-67.6117.1174.8178.7-2.2000110Q812 D813 G814 S815N810-Q812 PolarHBondContact O-N 3.37Å; N810-Q812 VanDerWaalsContact O-N 3.13Å; N810-Q812 PolarHBondContact OD1-N 3.21Å; N810-D813 VanDerWaalsContact CB-OD1 3.3Å; N810-D813 WeakPolarHBondContact CB-OD1 3.43Å; N810-D813 PolarHBondContact ND2-OD1 3.4Å; N810-D813 PolarHBondContact ND2-OD2 2.96Å; N810-G814 WeakPolarHBondContact O-CA 3.48Å; N810-G814 PolarHBondContact O-N 3.37Å; N810-S815 PolarHBondContact N-O 3.24Å
811M58.1Low51.6Low185 Ų185115.2 Ų115.291%0.91163%0.625SS**THydrogen-bonded Turntrans-67.6-8.6-176.4-69.1-79-173.500114.5T809T809-M811 PolarHBondContact O-N 3.22Å
812Q52.8Low51.6Low182 Ų182117.3 Ų117.385%0.8562%0.624SS**THydrogen-bonded Turntrans-103.5-28.2-174.7-68.814911.900113.7N810N810-Q812 PolarHBondContact O-N 3.37Å; N810-Q812 VanDerWaalsContact O-N 3.13Å; N810-Q812 PolarHBondContact OD1-N 3.21Å
813D66.4Low51.9Low105 Ų105120 Ų12056%0.56163%0.625SS**THydrogen-bonded Turntrans-125.7-5.9179.463.922.5000114.1N810 S815N810-D813 VanDerWaalsContact CB-OD1 3.3Å; N810-D813 WeakPolarHBondContact CB-OD1 3.43Å; N810-D813 PolarHBondContact ND2-OD1 3.4Å; N810-D813 PolarHBondContact ND2-OD2 2.96Å; D813-S815 PolarHBondContact O-N 3.01Å; D813-S815 WeakPolarHBondContact OD1-CB 3.22Å; D813-S815 PolarHBondContact OD1-N 3.32Å; D813-S815 PolarHBondContact OD1-OG 3.12Å; D813-S815 PolarHBondContact OD2-OG 3.03Å
814G61.4Low51.8Low51 Ų51116.4 Ų116.453%0.52662%0.62SS.*  trans73.97.1-18000000114.7N810N810-G814 WeakPolarHBondContact O-CA 3.48Å; N810-G814 PolarHBondContact O-N 3.37Å
815S54.1Low51.5Low60 Ų60115.8 Ų115.842%0.4262%0.617SS.*  trans-71.4139.8178.3650000111.6T809 N810 D813T809-S815 CarbonylContact C-O 3.55Å; T809-S815 WeakPolarHBondContact CA-O 3.3Å; N810-S815 PolarHBondContact N-O 3.24Å; D813-S815 PolarHBondContact O-N 3.01Å; D813-S815 WeakPolarHBondContact OD1-CB 3.22Å; D813-S815 PolarHBondContact OD1-N 3.32Å; D813-S815 PolarHBondContact OD1-OG 3.12Å; D813-S815 PolarHBondContact OD2-OG 3.03Å
816V57.8Low50.8Low83 Ų83119.4 Ų119.450%0.50364%0.641SS.*EExtended strand (participates in β ladder)trans-111.7117.8-178.1-172.70000109.4K807 E808 T809K807-V816 HydrophobicContact CB-CG1 3.89Å; K807-V816 HydrophobicContact CD-CG1 4.37Å; K807-V816 HydrophobicContact CG-CG1 4.47Å; E808-V816 CarbonylContact O-C 3.56Å; E808-V816 WeakPolarHBondContact O-CA 3.38Å; T809-V816 HydrophobicContact CG2-CG2 4.02Å
817Q52.4Low50.2Low142 Ų142117.2 Ų117.266%0.66464%0.643SS**EExtended strand (participates in β ladder)trans-108140.5177.7-158.7167.580.600110.1K807 E808K807-Q817 WeakPolarHBondContact CA-O 3.37Å; E808-Q817 PolarHBondContact N-O 2.88Å; E808-Q817 PolarHBondContact O-N 3.48Å
818V54.2Low48.6Very low68 Ų68120.8 Ų120.841%0.41266%0.658SS.*EExtended strand (participates in β ladder)trans-111.1106.3-174.9-1720000108.9I806 K807I806-V818 WeakPolarHBondContact O-CA 3.34Å; K807-V818 HydrophobicContact CG-CG2 4.23Å
819I55.2Low47.8Very low69 Ų69122.5 Ų122.535%0.35467%0.671SS.*EExtended strand (participates in β ladder)trans-93.6126.9-176.8-56176000108.4I806 E808I806-I819 PolarHBondContact O-N 2.59Å; I806-I819 VanDerWaalsContact O-N 3.14Å; E808-I819 WeakPolarHBondContact OE2-CD1 3.44Å
820K47.5Very low46.1Very low162 Ų162129.2 Ų129.270%0.70470%0.695SS**  trans-114-22.4-179.7-67.5-169.4175.2-173.70114
821D46.2Very low45.3Very low146 Ų146135.2 Ų135.278%0.78172%0.721SS**  trans-118.8117.4-177.8-50-47.2000108.6
822H37.9Very low43.9Very low168 Ų168134 Ų13478%0.77872%0.718SS**  trans-109.5119.4-179.563.5-82.6000110.7
823V37.4Very low43.5Very low135 Ų135129.6 Ų129.682%0.81871%0.707SS**  trans-132.7111.9169.7-1790000107.8
824T34.3Very low42.2Very low140 Ų140131.6 Ų131.686%0.85972%0.718SS**  trans-96.8123.2174.235.90000109.9
825N33.6Very low40.7Very low158 Ų158137.6 Ų137.685%0.84574%0.736SS**  trans-104.5129.4-179.6-125.1-26.6000109.8
826C28.1Very low39.7Very low128 Ų128144.5 Ų144.587%0.86576%0.755SS**  trans-142138.7164.4600000109.6
827A36.8Very low38.6Very low84 Ų84147.3 Ų147.369%0.69477%0.767SS**  trans-116.9134.6-154.800000113.7
828F27.5Very low37.6Very low219 Ų219148.8 Ų148.896%0.96178%0.779SS**  trans-150145.9153.3-77.2-68.7000110.4
829N39.8Very low36.6Very low157 Ų157156.9 Ų156.984%0.8482%0.819SS**  trans-110.8140.7176.7-101.5-36.2000109.3
830F27Very low35.7Very low214 Ų214161.3 Ų161.394%0.93984%0.843SS**  trans-141.8129161.1-116.2-86.9000111.4
831Q42.1Very low35Very low184 Ų184161.2 Ų161.286%0.8685%0.85SS**  trans-94.3136.5172.3-67.5172.7-3100109
832N29Very low34.4Very low158 Ų158162.1 Ų162.185%0.84585%0.854SS**  trans-145.5140.3141.2-150.6-13.1000111.2
833S43.8Very low34.2Very low90 Ų90161.7 Ų161.763%0.62986%0.858SS**  trans-95.2161.3-179.1500000110.8
834L39.5Very low34Very low148 Ų148163.4 Ų163.478%0.77586%0.861SS**  trans76.194.5173.9-48165.4000115.3
835L30.9Very low34Very low176 Ų176164.9 Ų164.992%0.92186%0.861SS**  -160.1108.3109.4-106.9144.5000110.1
836Y32.4Very low34Very low205 Ų205165.4 Ų165.480%0.80486%0.862SS**  trans-85.7173171.7-86.9-95.4000110.7
837D34.4Very low34.5Very low142 Ų142168.3 Ų168.376%0.75986%0.862SS**  trans75.4100.3167.3-51.7-23.2000116.1
838L31Very low34.3Very low174 Ų174175.3 Ų175.391%0.91188%0.876SS**  -171.3136.1100.1-91.6158.7000111.6
839D34Very low34.9Very low237 Ų237171.4 Ų171.4100%1.26787%0.868SS**  trans-65.40158.6-87.2-45000111.4

Retrieved 839 of 839 residues in 902.9 ms (Link to these results)

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