A0A096N988_PAPAN Loading...

Neurexophilin and PC-esterase domain family member 2

AlphaFold DB , UniProt , Accession A0A096N988, Species PAPAN (Papio anubis, Olive baboon), Gene NXPE2, Length 559 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
1M53.3Low53.9Low217 Ų217143.2 Ų143.2100%1.06967%0.668SS**  0-19.40-156.3169.7-177.800113.6
2M49.2Very low54.3Low169 Ų169138.5 Ų138.583%0.83366%0.657SS**  trans-78.3-25.8175.2-85.4-173.4-80.600115.4I5M2-I5 PolarHBondContact O-N 3.21Å
3E50.9Low54.7Low168 Ų168137.8 Ų137.879%0.78566%0.658SS**Hα-helixtrans-70.1-36.7-178.1-105.9175.7157.900114.5I5 F6E3-I5 VanDerWaalsContact C-N 3.28Å; E3-I5 PolarHBondContact O-N 3.22Å; E3-F6 PolarHBondContact O-N 2.82Å
4K50.3Low55Low182 Ų182135.1 Ų135.179%0.79164%0.642SS**Hα-helixtrans-70-23.9178.8-81.2-173.5175.7-179.30113.2
5I54.2Low55.4Low101 Ų101134.3 Ų134.352%0.51865%0.653SS.*Hα-helixtrans-79.5-31.3-179-64.2172.6000110.9M2 E3 R9M2-I5 PolarHBondContact O-N 3.21Å; E3-I5 VanDerWaalsContact C-N 3.28Å; E3-I5 PolarHBondContact O-N 3.22Å; I5-R9 PolarHBondContact O-N 2.74Å
6F52.7Low56.4Low156 Ų156131.6 Ų131.668%0.68464%0.643SS**Hα-helixtrans-73.2-40.8-178.5-141.3-95.2000112.5E3 R9 I10E3-F6 PolarHBondContact O-N 2.82Å; F6-R9 PolarHBondContact O-N 2.87Å; F6-I10 HydrophobicContact CD1-CD1 3.97Å; F6-I10 HydrophobicContact CE1-CD1 4.13Å; F6-I10 PolarHBondContact O-N 3.39Å
7I56.6Low57Low113 Ų113128.4 Ų128.458%0.57964%0.642SS**Hα-helixtrans-67.8-37.6177.8-63.8173.8000111.2L11I7-L11 HydrophobicContact CG2-CD1 4.01Å; I7-L11 PolarHBondContact O-N 2.79Å
8H56.3Low57.8Low136 Ų136127.8 Ų127.863%0.6364%0.64SS**Hα-helixtrans-69-36.2179.9-152.664.7000112.5T12H8-T12 WeakPolarHBondContact O-CG2 3.21Å; H8-T12 PolarHBondContact O-N 3.07Å; H8-T12 PolarHBondContact O-OG1 2.83Å
9R57.2Low58.5Low191 Ų191122.9 Ų122.972%0.72162%0.622SS**Hα-helixtrans-70.1-32.9177.4-93.9-175.2172.2-174-1.6114.4I5 F6 T12I5-R9 PolarHBondContact O-N 2.74Å; F6-R9 PolarHBondContact O-N 2.87Å; R9-T12 WeakPolarHBondContact CA-OG1 3.49Å; R9-T12 PolarHBondContact O-OG1 3.22Å
10I58.3Low59.1Low82 Ų82121.3 Ų121.342%0.42161%0.607SS.*Hα-helixtrans-72.3-37.6178.1-68171.5000110.9F6 T12 L13F6-I10 HydrophobicContact CD1-CD1 3.97Å; F6-I10 HydrophobicContact CE1-CD1 4.13Å; F6-I10 PolarHBondContact O-N 3.39Å; I10-T12 VanDerWaalsContact C-N 3.34Å; I10-T12 PolarHBondContact O-N 3.07Å; I10-L13 PolarHBondContact O-N 2.9Å
11L54.2Low59.7Low60 Ų60123.1 Ų123.131%0.31461%0.612SS.*Hα-helixtrans-68.4-31.5178-82.9154.4000112.5I7 L13 F14 R20I7-L11 HydrophobicContact CG2-CD1 4.01Å; I7-L11 PolarHBondContact O-N 2.79Å; L11-L13 VanDerWaalsContact C-N 3.28Å; L11-L13 PolarHBondContact O-N 3.18Å; L11-F14 PolarHBondContact O-N 3.16Å; L11-R20 HydrophobicContact CD2-CB 4.43Å; L11-R20 HydrophobicContact CD2-CG 3.91Å; L11-R20 PolarHBondContact O-NE 3.4Å; L11-R20 PolarHBondContact O-NH2 3.06Å
12T57.9Low60.7Low87 Ų87117.7 Ų117.753%0.53459%0.586SS.*THydrogen-bonded Turntrans-70.5-16178.845.40000115H8 R9 I10 F14H8-T12 WeakPolarHBondContact O-CG2 3.21Å; H8-T12 PolarHBondContact O-N 3.07Å; H8-T12 PolarHBondContact O-OG1 2.83Å; R9-T12 WeakPolarHBondContact CA-OG1 3.49Å; R9-T12 PolarHBondContact O-OG1 3.22Å; I10-T12 VanDerWaalsContact C-N 3.34Å; I10-T12 PolarHBondContact O-N 3.07Å; T12-F14 VanDerWaalsContact C-N 3.3Å; T12-F14 PolarHBondContact O-N 3.17Å
13L59.4Low62.1Low130 Ų130112.8 Ų112.868%0.68156%0.563SS**THydrogen-bonded Turntrans-78.7-11.7178-77.2159.8000113.8I10 L11I10-L13 PolarHBondContact O-N 2.9Å; L11-L13 VanDerWaalsContact C-N 3.28Å; L11-L13 PolarHBondContact O-N 3.18Å
14F59.9Low63.2Low99 Ų99109.5 Ų109.543%0.43455%0.551SS.*  trans-130.696.4-179.7-60.9-80.9000110L11 T12 N16 A19 R20L11-F14 PolarHBondContact O-N 3.16Å; T12-F14 VanDerWaalsContact C-N 3.3Å; T12-F14 PolarHBondContact O-N 3.17Å; F14-N16 VanDerWaalsContact C-N 3.29Å; F14-N16 PolarHBondContact O-N 2.89Å; F14-A19 HydrophobicContact CB-CB 4.48Å; F14-R20 HydrophobicContact CB-CG 4.43Å; F14-R20 PolarHBondContact O-NE 3.43Å
15P60.3Low64.4Low123 Ų123106.2 Ų106.280%0.79954%0.54SS*.  trans-77.6-13-174.528.2-32.3000113.5
16N71.1Confident65.7Low92 Ų92106.3 Ų106.349%0.49254%0.541SS..  trans-85.9122.2179.6-168-21.3000111.1F14 I18 A19 R20F14-N16 VanDerWaalsContact C-N 3.29Å; F14-N16 PolarHBondContact O-N 2.89Å; N16-I18 PolarHBondContact O-N 3.41Å; N16-I18 PolarHBondContact OD1-N 3.1Å; N16-I18 VanDerWaalsContact OD1-N 3.14Å; N16-A19 HydrophobicContact CB-CB 4.21Å; N16-A19 WeakPolarHBondContact O-CB 3.48Å; N16-A19 PolarHBondContact O-N 2.84Å; N16-R20 PolarHBondContact O-N 2.85Å; N16-R20 VanDerWaalsContact O-N 3.17Å
17A67.7Low67.1Low77 Ų77102.8 Ų102.864%0.63653%0.528SS*.Hα-helixtrans-58.2-31-179.600000113.1K21A17-K21 PolarHBondContact O-N 3.48Å; A17-K21 VanDerWaalsContact O-N 3.15Å
18I70.4Confident68.1Low117 Ų117104.7 Ų104.760%0.653%0.532SS*.Hα-helixtrans-69.2-41.6177.3-61.6174000110.6N16 R20 K21 L22N16-I18 PolarHBondContact O-N 3.41Å; N16-I18 PolarHBondContact OD1-N 3.1Å; N16-I18 VanDerWaalsContact OD1-N 3.14Å; I18-R20 PolarHBondContact O-N 2.94Å; I18-K21 PolarHBondContact O-N 2.84Å; I18-L22 HydrophobicContact CG2-CD1 4Å; I18-L22 PolarHBondContact O-N 3.37Å
19A70.6Confident69.2Low35 Ų35102.3 Ų102.329%0.28952%0.523SS..Hα-helixtrans-66.5-38178.500000111.9F14 N16 L22 L23F14-A19 HydrophobicContact CB-CB 4.48Å; N16-A19 HydrophobicContact CB-CB 4.21Å; N16-A19 WeakPolarHBondContact O-CB 3.48Å; N16-A19 PolarHBondContact O-N 2.84Å; A19-L22 PolarHBondContact O-N 2.83Å; A19-L23 WeakPolarHBondContact O-CB 3.42Å; A19-L23 PolarHBondContact O-N 2.92Å
20R71.6Confident70.3Confident90 Ų9098.3 Ų98.334%0.3452%0.516SS..Hα-helixtrans-63.9-40.6173.8-72.2-179.3179-179.64.8112.3L11 F14 N16 I18 L23 L24L11-R20 HydrophobicContact CD2-CB 4.43Å; L11-R20 HydrophobicContact CD2-CG 3.91Å; L11-R20 PolarHBondContact O-NE 3.4Å; L11-R20 PolarHBondContact O-NH2 3.06Å; F14-R20 HydrophobicContact CB-CG 4.43Å; F14-R20 PolarHBondContact O-NE 3.43Å; N16-R20 PolarHBondContact O-N 2.85Å; N16-R20 VanDerWaalsContact O-N 3.17Å; I18-R20 PolarHBondContact O-N 2.94Å; R20-L23 PolarHBondContact O-N 2.98Å; R20-L24 WeakPolarHBondContact O-CB 3.31Å; R20-L24 PolarHBondContact O-N 3.08Å
21K72Confident71.4Confident160 Ų16098.7 Ų98.770%0.69652%0.518SS*.Hα-helixtrans-67.5-39.8178.7-156.3175.1-175.2-1790111.5A17 I18 M25A17-K21 PolarHBondContact O-N 3.48Å; A17-K21 VanDerWaalsContact O-N 3.15Å; I18-K21 PolarHBondContact O-N 2.84Å; K21-M25 WeakPolarHBondContact O-CB 3.43Å; K21-M25 WeakPolarHBondContact O-CG 3.44Å; K21-M25 PolarHBondContact O-N 3.29Å
22L74.6Confident72.6Confident103 Ų103101.9 Ų101.954%0.53953%0.529SS..Hα-helixtrans-65.6-42.6174.1-79.2162.8000112.2I18 A19 M25 L26I18-L22 HydrophobicContact CG2-CD1 4Å; I18-L22 PolarHBondContact O-N 3.37Å; A19-L22 PolarHBondContact O-N 2.83Å; L22-M25 WeakPolarHBondContact O-CB 3.32Å; L22-M25 PolarHBondContact O-N 2.92Å; L22-L26 WeakPolarHBondContact O-CB 3.5Å; L22-L26 PolarHBondContact O-N 2.67Å
23L77.4Confident73.4Confident67 Ų67104.2 Ų104.235%0.35153%0.528SS..Hα-helixtrans-64.5-42.9177.7-171.672.7000111.8A19 R20 M25 L26 I27A19-L23 WeakPolarHBondContact O-CB 3.42Å; A19-L23 PolarHBondContact O-N 2.92Å; R20-L23 PolarHBondContact O-N 2.98Å; L23-M25 VanDerWaalsContact C-N 3.35Å; L23-L26 PolarHBondContact O-N 2.96Å; L23-I27 HydrophobicContact CG-CD1 4.15Å; L23-I27 VanDerWaalsContact O-CG1 3.32Å; L23-I27 WeakPolarHBondContact O-CG1 3.43Å; L23-I27 PolarHBondContact O-N 3.04Å
24L75.1Confident74.3Confident98 Ų98102.3 Ų102.351%0.51352%0.522SS..Hα-helixtrans-63-40.5175.3-84.1159.3000112.1R20 I27 F28R20-L24 WeakPolarHBondContact O-CB 3.31Å; R20-L24 PolarHBondContact O-N 3.08Å; L24-I27 PolarHBondContact O-N 3.48Å; L24-F28 WeakPolarHBondContact O-CB 3.44Å; L24-F28 PolarHBondContact O-N 3.45Å
25M75.7Confident75Confident114 Ų114103 Ų10356%0.56253%0.529SS*.Hα-helixtrans-61.2-44.5172.5-74.4-108.8-61.200111.4K21 L22 L23 I27 F28 I29K21-M25 WeakPolarHBondContact O-CB 3.43Å; K21-M25 WeakPolarHBondContact O-CG 3.44Å; K21-M25 PolarHBondContact O-N 3.29Å; L22-M25 WeakPolarHBondContact O-CB 3.32Å; L22-M25 PolarHBondContact O-N 2.92Å; L23-M25 VanDerWaalsContact C-N 3.35Å; M25-I27 PolarHBondContact O-N 3.31Å; M25-F28 PolarHBondContact O-N 2.77Å; M25-I29 WeakPolarHBondContact O-CB 3.37Å; M25-I29 WeakPolarHBondContact O-CD1 3.24Å; M25-I29 WeakPolarHBondContact O-CG1 3.18Å; M25-I29 PolarHBondContact O-N 3.06Å
26L80.4Confident75.4Confident103 Ų10399.6 Ų99.654%0.53950%0.501SS..Hα-helixtrans-63.5-41.6179.6-121147.7000111.9L22 L23 I29 L30L22-L26 WeakPolarHBondContact O-CB 3.5Å; L22-L26 PolarHBondContact O-N 2.67Å; L23-L26 PolarHBondContact O-N 2.96Å; L26-I29 PolarHBondContact O-N 3.17Å; L26-L30 HydrophobicContact CD2-CD1 4.4Å; L26-L30 WeakPolarHBondContact O-CB 3.28Å; L26-L30 PolarHBondContact O-N 3.45Å
27I81.8Confident75.3Confident82 Ų82100.9 Ų100.942%0.42151%0.507SS..Hα-helixtrans-64.4-42.9174.9-68.6166.7000110.6L23 L24 M25 I29 L30 I31L23-I27 HydrophobicContact CG-CD1 4.15Å; L23-I27 VanDerWaalsContact O-CG1 3.32Å; L23-I27 WeakPolarHBondContact O-CG1 3.43Å; L23-I27 PolarHBondContact O-N 3.04Å; L24-I27 PolarHBondContact O-N 3.48Å; M25-I27 PolarHBondContact O-N 3.31Å; I27-I29 PolarHBondContact O-N 3Å; I27-L30 PolarHBondContact O-N 3.03Å; I27-I31 HydrophobicContact CG2-CD1 3.72Å; I27-I31 HydrophobicContact CG2-CG1 4.37Å; I27-I31 WeakPolarHBondContact O-CB 3.41Å; I27-I31 VanDerWaalsContact O-CG1 3.29Å; I27-I31 WeakPolarHBondContact O-CG1 3.46Å; I27-I31 PolarHBondContact O-N 3.36Å
28F78.4Confident75.2Confident152 Ų152101.2 Ų101.267%0.66751%0.51SS*.Hα-helixtrans-62.8-41.4175.9-110.1-84.8000112.4L24 M25 L30 I31 F32L24-F28 WeakPolarHBondContact O-CB 3.44Å; L24-F28 PolarHBondContact O-N 3.45Å; M25-F28 PolarHBondContact O-N 2.77Å; F28-L30 VanDerWaalsContact C-N 3.35Å; F28-I31 PolarHBondContact O-N 3.25Å; F28-F32 WeakPolarHBondContact O-CB 3.4Å; F28-F32 PolarHBondContact O-N 3.36Å
29I80.1Confident74.9Confident86 Ų8698.6 Ų98.644%0.44150%0.502SS..Hα-helixtrans-63.2-44175.7-69.6164.7000109.8M25 L26 I27 F32 W33M25-I29 WeakPolarHBondContact O-CB 3.37Å; M25-I29 WeakPolarHBondContact O-CD1 3.24Å; M25-I29 WeakPolarHBondContact O-CG1 3.18Å; M25-I29 PolarHBondContact O-N 3.06Å; L26-I29 PolarHBondContact O-N 3.17Å; I27-I29 PolarHBondContact O-N 3Å; I29-F32 PolarHBondContact O-N 3.3Å; I29-W33 WeakPolarHBondContact O-CB 3.32Å; I29-W33 PolarHBondContact O-N 3.23Å
30L80.1Confident74.2Confident108 Ų108107.2 Ų107.257%0.56553%0.533SS*.Hα-helixtrans-65.1-44.2178.9-120.8135000112.2L26 I27 F28 F32 W33 V34L26-L30 HydrophobicContact CD2-CD1 4.4Å; L26-L30 WeakPolarHBondContact O-CB 3.28Å; L26-L30 PolarHBondContact O-N 3.45Å; I27-L30 PolarHBondContact O-N 3.03Å; F28-L30 VanDerWaalsContact C-N 3.35Å; L30-F32 VanDerWaalsContact C-N 3.35Å; L30-W33 PolarHBondContact O-N 3.46Å; L30-V34 VanDerWaalsContact O-CG2 3.3Å; L30-V34 WeakPolarHBondContact O-CG2 3.37Å; L30-V34 PolarHBondContact O-N 2.68Å
31I80.6Confident73.6Confident89 Ų89107 Ų10746%0.45654%0.539SS..Hα-helixtrans-63.4-43.3175.6-68.6168.9000110.3I27 F28 W33 V34 I35I27-I31 HydrophobicContact CG2-CD1 3.72Å; I27-I31 HydrophobicContact CG2-CG1 4.37Å; I27-I31 WeakPolarHBondContact O-CB 3.41Å; I27-I31 VanDerWaalsContact O-CG1 3.29Å; I27-I31 WeakPolarHBondContact O-CG1 3.46Å; I27-I31 PolarHBondContact O-N 3.36Å; F28-I31 PolarHBondContact O-N 3.25Å; I31-W33 VanDerWaalsContact C-N 3.32Å; I31-W33 PolarHBondContact O-N 2.75Å; I31-V34 PolarHBondContact O-N 3.1Å; I31-I35 HydrophobicContact CG2-CD1 3.65Å; I31-I35 HydrophobicContact CG2-CG1 4.32Å; I31-I35 WeakPolarHBondContact O-CB 3.49Å; I31-I35 VanDerWaalsContact O-CG1 3.28Å; I31-I35 WeakPolarHBondContact O-CG1 3.29Å; I31-I35 PolarHBondContact O-N 2.85Å
32F78.6Confident72.8Confident128 Ų128101.6 Ų101.656%0.56152%0.515SS*.Hα-helixtrans-59.7-42.4174.5180-94.3000111.4F28 I29 L30 I35 Y36F28-F32 WeakPolarHBondContact O-CB 3.4Å; F28-F32 PolarHBondContact O-N 3.36Å; I29-F32 PolarHBondContact O-N 3.3Å; L30-F32 VanDerWaalsContact C-N 3.35Å; F32-I35 PolarHBondContact O-N 3.08Å; F32-Y36 WeakPolarHBondContact O-CA 3.38Å; F32-Y36 WeakPolarHBondContact O-CB 3.44Å; F32-Y36 PolarHBondContact O-N 2.84Å
33W76.4Confident71.8Confident135 Ų135101.9 Ų101.951%0.51152%0.522SS..Hα-helixtrans-68.7-33.3177.3-90.6100.7000113.6I29 L30 I31 Y36 L37I29-W33 WeakPolarHBondContact O-CB 3.32Å; I29-W33 PolarHBondContact O-N 3.23Å; L30-W33 PolarHBondContact O-N 3.46Å; I31-W33 VanDerWaalsContact C-N 3.32Å; I31-W33 PolarHBondContact O-N 2.75Å; W33-Y36 AromaticContact CE3-CD1 3.81Å; W33-Y36 HydrophobicContact CE3-CD1 3.81Å; W33-Y36 HydrophobicContact CE3-CE1 4.38Å; W33-Y36 HydrophobicContact CH2-CE1 4.45Å; W33-Y36 AromaticContact CZ3-CD1 3.76Å; W33-Y36 HydrophobicContact CZ3-CD1 3.76Å; W33-Y36 AromaticContact CZ3-CE1 3.86Å; W33-Y36 HydrophobicContact CZ3-CE1 3.86Å; W33-L37 HydrophobicContact CE3-CD1 4.27Å; W33-L37 HydrophobicContact CE3-CG 4.26Å; W33-L37 WeakPolarHBondContact O-CB 3.25Å; W33-L37 VanDerWaalsContact O-CG 3.24Å; W33-L37 WeakPolarHBondContact O-CG 3.5Å; W33-L37 PolarHBondContact O-N 2.8Å
34V78.1Confident70.7Confident90 Ų90105.7 Ų105.755%0.54554%0.535SS..Hα-helixtrans-72.3-43.3174.9171.80000110.9L30 I31 Y36 L37 A38L30-V34 VanDerWaalsContact O-CG2 3.3Å; L30-V34 WeakPolarHBondContact O-CG2 3.37Å; L30-V34 PolarHBondContact O-N 2.68Å; I31-V34 PolarHBondContact O-N 3.1Å; V34-Y36 VanDerWaalsContact C-N 3.32Å; V34-L37 PolarHBondContact O-N 2.86Å; V34-A38 VanDerWaalsContact O-CB 3.24Å; V34-A38 WeakPolarHBondContact O-CB 3.49Å; V34-A38 PolarHBondContact O-N 2.58Å
35I74.4Confident69.4Low115 Ų115107 Ų10759%0.5954%0.537SS*.Hα-helixtrans-66.3-37.6174.5-67.3169.5000110.9I31 F32 S39I31-I35 HydrophobicContact CG2-CD1 3.65Å; I31-I35 HydrophobicContact CG2-CG1 4.32Å; I31-I35 WeakPolarHBondContact O-CB 3.49Å; I31-I35 VanDerWaalsContact O-CG1 3.28Å; I31-I35 WeakPolarHBondContact O-CG1 3.29Å; I31-I35 PolarHBondContact O-N 2.85Å; F32-I35 PolarHBondContact O-N 3.08Å; I35-S39 PolarHBondContact O-N 2.86Å
36Y68.2Low68.1Low51 Ų51106.3 Ų106.320%0.254%0.535CS..Hα-helixtrans-55.7-78.5167-173.2-104.9000105.5F32 W33 V34 A38 S39 H42 F45F32-Y36 WeakPolarHBondContact O-CA 3.38Å; F32-Y36 WeakPolarHBondContact O-CB 3.44Å; F32-Y36 PolarHBondContact O-N 2.84Å; W33-Y36 AromaticContact CE3-CD1 3.81Å; W33-Y36 HydrophobicContact CE3-CD1 3.81Å; W33-Y36 HydrophobicContact CE3-CE1 4.38Å; W33-Y36 HydrophobicContact CH2-CE1 4.45Å; W33-Y36 AromaticContact CZ3-CD1 3.76Å; W33-Y36 HydrophobicContact CZ3-CD1 3.76Å; W33-Y36 AromaticContact CZ3-CE1 3.86Å; W33-Y36 HydrophobicContact CZ3-CE1 3.86Å; V34-Y36 VanDerWaalsContact C-N 3.32Å; Y36-A38 PolarHBondContact O-N 2.86Å; Y36-S39 WeakPolarHBondContact O-CA 3.42Å; Y36-S39 WeakPolarHBondContact O-CB 3.36Å; Y36-S39 PolarHBondContact O-N 2.61Å; Y36-H42 AromaticContact CD1-CE1 3.3Å; Y36-H42 WeakPolarHBondContact CD1-CE1 3.39Å; Y36-H42 AromaticContact CD1-ND1 3.55Å; Y36-H42 AromaticContact CD2-CE1 3.47Å; Y36-H42 VanDerWaalsContact CD2-CE1 3.47Å; Y36-H42 WeakPolarHBondContact CD2-CE1 3.39Å; Y36-H42 AromaticContact CD2-ND1 3.61Å; Y36-H42 AromaticContact CE1-CE1 3.54Å; Y36-H42 AromaticContact CE1-ND1 3.25Å; Y36-H42 WeakPolarHBondContact CE1-ND1 3.35Å; Y36-H42 AromaticContact CE2-CE1 3.7Å; Y36-H42 AromaticContact CE2-ND1 3.32Å; Y36-H42 VanDerWaalsContact CE2-ND1 3.32Å; Y36-H42 WeakPolarHBondContact CE2-ND1 3.38Å; Y36-H42 AromaticContact CG-CE1 3.26Å; Y36-H42 AromaticContact CG-ND1 3.72Å; Y36-H42 AromaticContact CZ-CE1 3.74Å; Y36-H42 AromaticContact CZ-ND1 3.13Å; Y36-H42 PolarHBondContact O-CE1 2.74Å; Y36-H42 PolarHBondContact O-NE2 2.79Å; Y36-F45 HydrophobicContact CE2-CD1 4.45Å
37L69.3Low66.6Low119 Ų119108.1 Ų108.162%0.62354%0.539SS*.Hα-helixtrans-51.8-24.1-170.3-69.9166.5000116.5W33 V34 H42W33-L37 HydrophobicContact CE3-CD1 4.27Å; W33-L37 HydrophobicContact CE3-CG 4.26Å; W33-L37 WeakPolarHBondContact O-CB 3.25Å; W33-L37 VanDerWaalsContact O-CG 3.24Å; W33-L37 WeakPolarHBondContact O-CG 3.5Å; W33-L37 PolarHBondContact O-N 2.8Å; V34-L37 PolarHBondContact O-N 2.86Å; L37-H42 WeakPolarHBondContact CA-NE2 3.24Å; L37-H42 PolarHBondContact N-NE2 3.03Å
38A65.9Low64.8Low84 Ų84107.3 Ų107.369%0.69454%0.541SS*.Hα-helixtrans-82.6-15.2174.700000114.4V34 Y36V34-A38 VanDerWaalsContact O-CB 3.24Å; V34-A38 WeakPolarHBondContact O-CB 3.49Å; V34-A38 PolarHBondContact O-N 2.58Å; Y36-A38 PolarHBondContact O-N 2.86Å
39S64.1Low63.1Low62 Ų62104.9 Ų104.943%0.43453%0.534SS..SBendtrans-76.1123.1177.3-178.80000110.9I35 Y36 D41 H42I35-S39 PolarHBondContact O-N 2.86Å; Y36-S39 WeakPolarHBondContact O-CA 3.42Å; Y36-S39 WeakPolarHBondContact O-CB 3.36Å; Y36-S39 PolarHBondContact O-N 2.61Å; S39-D41 PolarHBondContact O-N 2.02Å; S39-H42 PolarHBondContact O-CD2 2.78Å; S39-H42 PolarHBondContact O-NE2 2.82Å
40K56Low61.2Low215 Ų215107 Ų10794%0.93554%0.542SS*.THydrogen-bonded Turntrans-71.212.2-171.8-130.5179.3-176.3-178.70115.4
41D57.9Low59.3Low87 Ų87106.8 Ų106.847%0.46554%0.541SS..THydrogen-bonded Turntrans-135.129.6-167.1-124.4-8.4000114.3S39 T43 K44S39-D41 PolarHBondContact O-N 2.02Å; D41-T43 VanDerWaalsContact C-N 3.27Å; D41-T43 PolarHBondContact O-N 2.57Å; D41-K44 PolarHBondContact O-N 2.93Å; D41-K44 IonicContact OD2-NZ 2.63Å
42H54.9Low57.3Low45 Ų45110 Ų11021%0.20855%0.554CS.*Hα-helixtrans-55.4-34.3-179.2-78.6-54.9000116.6Y36 L37 S39 K44 F45 L46Y36-H42 AromaticContact CD1-CE1 3.3Å; Y36-H42 WeakPolarHBondContact CD1-CE1 3.39Å; Y36-H42 AromaticContact CD1-ND1 3.55Å; Y36-H42 AromaticContact CD2-CE1 3.47Å; Y36-H42 VanDerWaalsContact CD2-CE1 3.47Å; Y36-H42 WeakPolarHBondContact CD2-CE1 3.39Å; Y36-H42 AromaticContact CD2-ND1 3.61Å; Y36-H42 AromaticContact CE1-CE1 3.54Å; Y36-H42 AromaticContact CE1-ND1 3.25Å; Y36-H42 WeakPolarHBondContact CE1-ND1 3.35Å; Y36-H42 AromaticContact CE2-CE1 3.7Å; Y36-H42 AromaticContact CE2-ND1 3.32Å; Y36-H42 VanDerWaalsContact CE2-ND1 3.32Å; Y36-H42 WeakPolarHBondContact CE2-ND1 3.38Å; Y36-H42 AromaticContact CG-CE1 3.26Å; Y36-H42 AromaticContact CG-ND1 3.72Å; Y36-H42 AromaticContact CZ-CE1 3.74Å; Y36-H42 AromaticContact CZ-ND1 3.13Å; Y36-H42 PolarHBondContact O-CE1 2.74Å; Y36-H42 PolarHBondContact O-NE2 2.79Å; L37-H42 WeakPolarHBondContact CA-NE2 3.24Å; L37-H42 PolarHBondContact N-NE2 3.03Å; S39-H42 PolarHBondContact O-CD2 2.78Å; S39-H42 PolarHBondContact O-NE2 2.82Å; H42-K44 VanDerWaalsContact C-N 3.27Å; H42-K44 PolarHBondContact O-N 3.34Å; H42-F45 PolarHBondContact O-N 2.58Å; H42-L46 PolarHBondContact O-N 2.83Å
43T55.2Low55.4Low110 Ų110110.5 Ų110.568%0.67556%0.561SS**Hα-helixtrans-68.7-26.8-176.338.80000112D41D41-T43 VanDerWaalsContact C-N 3.27Å; D41-T43 PolarHBondContact O-N 2.57Å
44K53.2Low53.2Low146 Ų146109.1 Ų109.164%0.63557%0.568SS**Hα-helixtrans-77-32177.2-89.7178.3-177.9162.10114.1D41 H42 S48D41-K44 PolarHBondContact O-N 2.93Å; D41-K44 IonicContact OD2-NZ 2.63Å; H42-K44 VanDerWaalsContact C-N 3.27Å; H42-K44 PolarHBondContact O-N 3.34Å; K44-S48 PolarHBondContact O-N 2.8Å
45F48.4Very low51.4Low127 Ų127111.7 Ų111.756%0.55758%0.578SS**Hα-helixtrans-77.1-37.7-178.1-165-95.5000112.4Y36 H42 S48 L49Y36-F45 HydrophobicContact CE2-CD1 4.45Å; H42-F45 PolarHBondContact O-N 2.58Å; F45-S48 PolarHBondContact O-N 2.8Å; F45-L49 PolarHBondContact O-N 2.93Å; F45-L49 VanDerWaalsContact O-N 3.16Å
46L48.4Very low49.7Very low98 Ų98113.7 Ų113.751%0.51359%0.59SS.*Hα-helixtrans-63.4-41.5173.7-100.2149.9000111.8H42 S48 L49 E50H42-L46 PolarHBondContact O-N 2.83Å; L46-S48 VanDerWaalsContact C-N 3.27Å; L46-S48 PolarHBondContact O-N 2.84Å; L46-L49 PolarHBondContact O-N 3.01Å; L46-E50 WeakPolarHBondContact O-CB 3.35Å; L46-E50 PolarHBondContact O-N 2.83Å
47F48.5Very low48.1Very low142 Ų142120.9 Ų120.962%0.62363%0.625SS**Hα-helixtrans-62.2-31.3174.1-108.6-85.2000113.5N51F47-N51 WeakPolarHBondContact O-CB 3.34Å; F47-N51 PolarHBondContact O-N 3.42Å; F47-N51 PolarHBondContact O-ND2 2.98Å; F47-N51 VanDerWaalsContact O-ND2 3.08Å
48S43.6Very low46.1Very low65 Ų65118.6 Ų118.646%0.45563%0.63SS.*Hα-helixtrans-77-30.8177.8-174.80000113K44 F45 L46 H52K44-S48 PolarHBondContact O-N 2.8Å; F45-S48 PolarHBondContact O-N 2.8Å; L46-S48 VanDerWaalsContact C-N 3.27Å; L46-S48 PolarHBondContact O-N 2.84Å; S48-H52 PolarHBondContact O-CD2 2.82Å
49L43Very low44.4Very low101 Ų101122.7 Ų122.753%0.52964%0.641SS.*Hα-helixtrans-81.7-36.3-179.8-15777.1000111.5F45 L46 H52F45-L49 PolarHBondContact O-N 2.93Å; F45-L49 VanDerWaalsContact O-N 3.16Å; L46-L49 PolarHBondContact O-N 3.01Å; L49-H52 PolarHBondContact O-N 2.67Å
50E41.2Very low43.1Very low129 Ų129127 Ų12760%0.60366%0.657SS**Hα-helixtrans-68.6-37.8178.1-151.7162.1-161.200111.4L46 H52 I53 T54L46-E50 WeakPolarHBondContact O-CB 3.35Å; L46-E50 PolarHBondContact O-N 2.83Å; E50-H52 VanDerWaalsContact C-N 3.32Å; E50-H52 PolarHBondContact O-N 3.15Å; E50-I53 PolarHBondContact O-N 3.4Å; E50-T54 PolarHBondContact O-N 2.87Å; E50-T54 PolarHBondContact O-OG1 3.49Å; E50-T54 VanDerWaalsContact O-OG1 3.08Å
51N39.3Very low42.1Very low104 Ų104126 Ų12656%0.55665%0.653SS**Hα-helixtrans-70.1-20.8176.6-79.4-27.1000114.9F47F47-N51 WeakPolarHBondContact O-CB 3.34Å; F47-N51 PolarHBondContact O-N 3.42Å; F47-N51 PolarHBondContact O-ND2 2.98Å; F47-N51 VanDerWaalsContact O-ND2 3.08Å
52H38.5Very low40.7Very low157 Ų157132 Ų13273%0.72768%0.675SS**Hα-helixtrans-89-17.6178.2-94.3-68.4000113.8S48 L49 E50S48-H52 PolarHBondContact O-CD2 2.82Å; L49-H52 PolarHBondContact O-N 2.67Å; E50-H52 VanDerWaalsContact C-N 3.32Å; E50-H52 PolarHBondContact O-N 3.15Å
53I38Very low39.5Very low138 Ų138139.5 Ų139.571%0.70871%0.707SS**Hα-helixtrans-97-20.3-178.7-62.8174.7000111.8E50 L55E50-I53 PolarHBondContact O-N 3.4Å; I53-L55 PolarHBondContact O-N 2.97Å
54T31.9Very low38.3Very low106 Ų106138.5 Ų138.565%0.6571%0.705SS**SBendtrans-93.545.4175.650.70000114.1E50E50-T54 PolarHBondContact O-N 2.87Å; E50-T54 PolarHBondContact O-OG1 3.49Å; E50-T54 VanDerWaalsContact O-OG1 3.08Å
55L39.4Very low37.2Very low144 Ų144137 Ų13775%0.75471%0.713SS**SBendtrans-130.270.3170.6-146.5116.1000111.1I53I53-L55 PolarHBondContact O-N 2.97Å
56N38.8Very low36.4Very low157 Ų157139.2 Ų139.284%0.8472%0.724SS**SBendtrans-177.84.9143.2-106.8-12.6000118
57Q34.5Very low35.5Very low203 Ų203140.2 Ų140.295%0.94974%0.739SS**SBendtrans-141.5107.8177.4-73.7-176.6-22.200111.3
58G28Very low35.1Very low71 Ų71142.8 Ų142.873%0.73275%0.753SS**  trans150.372.2168.200000114.7
59N30.5Very low34.6Very low170 Ų170143.2 Ų143.291%0.90976%0.761SS**  trans-138.667.8156.3-101.5-14.6000109.3
60I36.1Very low34.2Very low151 Ų151145 Ų14577%0.77478%0.778SS**SBendtrans-137.2114.2160.9-68.8-176.1000106.4
61F34.2Very low34Very low196 Ų196146.3 Ų146.386%0.8679%0.789SS**  trans68.3104.2177.6-71.8-78.9000119.2
62K29.2Very low33.8Very low212 Ų212146.4 Ų146.492%0.92280%0.797SS**  -167.7136.7115.8-108.5169.3-177.8176.90114
63K29.3Very low33.9Very low202 Ų202144.7 Ų144.788%0.87880%0.8SS**  trans-22.8132.9169.4-94.9167.2166.3175.90117.1
64S29.9Very low34.3Very low90 Ų90142.3 Ų142.363%0.62980%0.801SS**  trans-45.6130.2158.3165.80000113.1
65S29.6Very low35.2Very low115 Ų115139.8 Ų139.880%0.80479%0.785SS**  trans-130.9112.2147.157.30000107.1
66H32.7Very low36Very low172 Ų172135.6 Ų135.680%0.79677%0.768SS**  trans-66132.7-178.1-71.9-57.1000112.4
67S29.5Very low37.3Very low119 Ų119131.4 Ų131.483%0.83275%0.749SS**  trans-126114.7147.446.80000107.5A69S67-A69 PolarHBondContact O-N 2.89Å
68E39.5Very low39.5Very low196 Ų196129.1 Ų129.192%0.91674%0.736SS**  trans-70.3106.8-178.6-71.8175.3152.400110
69A34.4Very low42.3Very low75 Ų75130.7 Ų130.762%0.6272%0.724SS**  trans-97.2148.8152.800000108S67 L71S67-A69 PolarHBondContact O-N 2.89Å; A69-L71 PolarHBondContact O-N 2.93Å
70P34.5Very low45.1Very low137 Ų137122.9 Ų122.989%0.8968%0.683SS**  trans-65.4103.1-174.8-12.726.8000109.8C72P70-C72 PolarHBondContact O-N 3.3Å
71L36.6Very low47.9Very low157 Ų157119.6 Ų119.682%0.82266%0.664SS**  trans-63.8122.8166.8-85.9145000107.4A69A69-L71 PolarHBondContact O-N 2.93Å
72C34.8Very low50.8Low106 Ų106114.4 Ų114.472%0.71665%0.645SS**  trans-42.7131.8154.7-65.60000107.6P70 A74P70-C72 PolarHBondContact O-N 3.3Å; C72-A74 PolarHBondContact O-N 2.83Å
73P39.6Very low54Low122 Ų122108.2 Ų108.279%0.79262%0.616SS**  trans-59108.6-170.821.5-30.4000108.6V75P73-V75 PolarHBondContact O-N 2.86Å
74A46.5Very low57.2Low88 Ų8899 Ų9973%0.72758%0.576SS**  trans-63.298.1165.600000105.1C72 S76C72-A74 PolarHBondContact O-N 2.83Å; A74-S76 PolarHBondContact O-N 2.98Å
75V52.6Low60.4Low52 Ų52100.2 Ų100.232%0.31557%0.57SS.*  trans-35.5110.9168.9161.80000108.4P73 E79P73-V75 PolarHBondContact O-N 2.86Å; V75-E79 HydrophobicContact CG1-CB 3.71Å; V75-E79 HydrophobicContact CG1-CG 3.58Å; V75-E79 VanDerWaalsContact CG1-OE2 3.29Å; V75-E79 WeakPolarHBondContact CG1-OE2 3.49Å; V75-E79 WeakPolarHBondContact CG2-OE2 3.29Å
76S56.2Low63.6Low57 Ų5798.6 Ų98.640%0.39955%0.552SS.*  trans-59.9153.3-173.871.60000110.1A74 K78 E79A74-S76 PolarHBondContact O-N 2.98Å; S76-K78 PolarHBondContact O-N 2.76Å; S76-E79 PolarHBondContact O-N 3.24Å
77P65.2Low66.7Low69 Ų6991 Ų9145%0.44852%0.518SS..Hα-helixtrans-47.9-33.4175.9-27.334000112.6E79 T80 E81 H250P77-E79 PolarHBondContact O-N 2.76Å; P77-T80 PolarHBondContact O-N 2.95Å; P77-E81 WeakPolarHBondContact O-CG 3.15Å; P77-E81 PolarHBondContact O-N 3.48Å; P77-H250 WeakPolarHBondContact CB-NE2 3.41Å; P77-H250 VanDerWaalsContact CG-NE2 3.29Å; P77-H250 WeakPolarHBondContact CG-NE2 3.25Å
78K80.1Confident69.9Low155 Ų15587 Ų8767%0.67449%0.486SS*.Hα-helixtrans-60.3-37.5176.9-166.5176.6-177.9-179.60113.9S76 L82S76-K78 PolarHBondContact O-N 2.76Å; K78-L82 HydrophobicContact CG-CD1 4.26Å; K78-L82 WeakPolarHBondContact O-CB 3.49Å; K78-L82 WeakPolarHBondContact O-CG 3.24Å; K78-L82 PolarHBondContact O-N 3.07Å
79E86.7Confident72.7Confident103 Ų10381.9 Ų81.948%0.48146%0.462SS..Hα-helixtrans-75.5-34.9-178169.3-174166.800112V75 S76 P77 L82 R83V75-E79 HydrophobicContact CG1-CB 3.71Å; V75-E79 HydrophobicContact CG1-CG 3.58Å; V75-E79 VanDerWaalsContact CG1-OE2 3.29Å; V75-E79 WeakPolarHBondContact CG1-OE2 3.49Å; V75-E79 WeakPolarHBondContact CG2-OE2 3.29Å; S76-E79 PolarHBondContact O-N 3.24Å; P77-E79 PolarHBondContact O-N 2.76Å; E79-L82 PolarHBondContact O-N 2.93Å; E79-R83 WeakPolarHBondContact O-CB 3.14Å; E79-R83 PolarHBondContact O-N 2.74Å
80T90.4Very high75.7Confident7 Ų783.9 Ų83.94%0.04346%0.457CS..Hα-helixtrans-65.6-41.7170.9-71.60000111.9P77 L82 R83 I84 I467 K471P77-T80 PolarHBondContact O-N 2.95Å; T80-L82 PolarHBondContact O-N 2.84Å; T80-R83 PolarHBondContact O-N 3.18Å; T80-I84 HydrophobicContact CG2-CD1 3.86Å; T80-I84 HydrophobicContact CG2-CG1 4.44Å; T80-I84 VanDerWaalsContact O-CG1 3.26Å; T80-I84 WeakPolarHBondContact O-CG1 3.48Å; T80-I84 PolarHBondContact O-N 2.89Å; T80-I467 HydrophobicContact CG2-CG2 4.28Å; T80-K471 PolarHBondContact OG1-NZ 2.04Å
81E93.4Very high78.7Confident82 Ų8277.6 Ų77.638%0.38342%0.416SS..Hα-helixtrans-61.2-43173.5-65.1-43.1128.900112.4P77 I84 K85 R464P77-E81 WeakPolarHBondContact O-CG 3.15Å; P77-E81 PolarHBondContact O-N 3.48Å; E81-I84 PolarHBondContact O-N 3.18Å; E81-K85 WeakPolarHBondContact O-CB 3.31Å; E81-K85 PolarHBondContact O-N 2.9Å; E81-R464 IonicContact OE1-CZ 2.69Å; E81-R464 IonicContact OE1-NH1 3.37Å; E81-R464 PolarHBondContact OE1-NH1 3.46Å; E81-R464 IonicContact OE1-NH2 2.66Å; E81-R464 PolarHBondContact OE1-NH2 2.83Å; E81-R464 IonicContact OE2-CZ 3.65Å; E81-R464 IonicContact OE2-NH2 3.42Å; E81-R464 PolarHBondContact OE2-NH2 2.9Å
82L95.1Very high81.5Confident86 Ų8673.5 Ų73.545%0.4540%0.395SS..Hα-helixtrans-60.5-46.8176.8-74.2167.4000111.1K78 E79 T80 I84 K85 D86K78-L82 HydrophobicContact CG-CD1 4.26Å; K78-L82 WeakPolarHBondContact O-CB 3.49Å; K78-L82 WeakPolarHBondContact O-CG 3.24Å; K78-L82 PolarHBondContact O-N 3.07Å; E79-L82 PolarHBondContact O-N 2.93Å; T80-L82 PolarHBondContact O-N 2.84Å; L82-I84 VanDerWaalsContact C-N 3.34Å; L82-I84 PolarHBondContact O-N 3.26Å; L82-K85 WeakPolarHBondContact O-CB 3.26Å; L82-K85 PolarHBondContact O-N 2.84Å; L82-K85 VanDerWaalsContact O-N 3.13Å; L82-D86 VanDerWaalsContact O-CG 3.26Å; L82-D86 PolarHBondContact O-N 3.02Å
83R96.3Very high84.4Confident82 Ų8275.7 Ų75.731%0.30939%0.394SS..Hα-helixtrans-64.2-37.9178.1-170.4172.3175.3-154.9-4.9112.6E79 T80 K85 D86 I87 I467E79-R83 WeakPolarHBondContact O-CB 3.14Å; E79-R83 PolarHBondContact O-N 2.74Å; T80-R83 PolarHBondContact O-N 3.18Å; R83-K85 VanDerWaalsContact C-N 3.34Å; R83-D86 PolarHBondContact O-N 2.89Å; R83-I87 HydrophobicContact CG-CD1 4.2Å; R83-I87 VanDerWaalsContact O-CG1 3.28Å; R83-I87 WeakPolarHBondContact O-CG1 3.44Å; R83-I87 PolarHBondContact O-N 2.85Å; R83-I87 VanDerWaalsContact O-N 3.1Å; R83-I467 HydrophobicContact CB-CD1 4.25Å; R83-I467 HydrophobicContact CG-CD1 4.02Å
84I97Very high87Confident8 Ų875.3 Ų75.34%0.04138%0.382CS..Hα-helixtrans-61.2-47173-69.7164.7000109.7T80 E81 L82 D86 I87 M88 N460 I463 R464 I467T80-I84 HydrophobicContact CG2-CD1 3.86Å; T80-I84 HydrophobicContact CG2-CG1 4.44Å; T80-I84 VanDerWaalsContact O-CG1 3.26Å; T80-I84 WeakPolarHBondContact O-CG1 3.48Å; T80-I84 PolarHBondContact O-N 2.89Å; E81-I84 PolarHBondContact O-N 3.18Å; L82-I84 VanDerWaalsContact C-N 3.34Å; L82-I84 PolarHBondContact O-N 3.26Å; I84-D86 PolarHBondContact O-N 2.86Å; I84-I87 PolarHBondContact O-N 2.85Å; I84-M88 HydrophobicContact CG2-CG 4.29Å; I84-M88 WeakPolarHBondContact O-CB 3.01Å; I84-M88 VanDerWaalsContact O-CG 3.25Å; I84-M88 WeakPolarHBondContact O-CG 2.93Å; I84-M88 PolarHBondContact O-N 3.5Å; I84-N460 HydrophobicContact CG2-CB 3.94Å; I84-I463 HydrophobicContact CB-CG2 4.39Å; I84-I463 HydrophobicContact CG1-CG2 3.89Å; I84-I463 HydrophobicContact CG2-CG2 4.48Å; I84-R464 HydrophobicContact CD1-CB 3.78Å; I84-R464 HydrophobicContact CD1-CG 4.22Å; I84-I467 HydrophobicContact CG1-CD1 3.87Å
85K96.8Very high89.4Confident117 Ų11772 Ų7251%0.50935%0.351SS..Hα-helixtrans-59.7-45.7178.4-175.9-178168.8-173.50111.8E81 L82 R83 I87 M88 E89E81-K85 WeakPolarHBondContact O-CB 3.31Å; E81-K85 PolarHBondContact O-N 2.9Å; L82-K85 WeakPolarHBondContact O-CB 3.26Å; L82-K85 PolarHBondContact O-N 2.84Å; L82-K85 VanDerWaalsContact O-N 3.13Å; R83-K85 VanDerWaalsContact C-N 3.34Å; K85-I87 VanDerWaalsContact C-N 3.34Å; K85-I87 PolarHBondContact O-N 3.18Å; K85-M88 WeakPolarHBondContact O-CB 3.23Å; K85-M88 PolarHBondContact O-N 2.87Å; K85-E89 WeakPolarHBondContact CE-OE1 3.25Å; K85-E89 IonicContact NZ-OE1 3.92Å; K85-E89 WeakPolarHBondContact O-CG 3.45Å; K85-E89 PolarHBondContact O-N 3.33Å
86D97.2Very high91.5Very high81 Ų8171.3 Ų71.343%0.43335%0.349SS..Hα-helixtrans-62.1-40.7178.8-65.7-13000112L82 R83 I84 K90L82-D86 VanDerWaalsContact O-CG 3.26Å; L82-D86 PolarHBondContact O-N 3.02Å; R83-D86 PolarHBondContact O-N 2.89Å; I84-D86 PolarHBondContact O-N 2.86Å; D86-K90 WeakPolarHBondContact O-CG 3.44Å; D86-K90 PolarHBondContact O-N 3.35Å; D86-K90 VanDerWaalsContact O-N 3.16Å
87I97.8Very high93.4Very high13 Ų1373.7 Ų73.77%0.06736%0.363CS..Hα-helixtrans-66.6-42.8175.7-66.6167.4000110.3R83 I84 K85 K90 L91 I463 I467 I513 I517R83-I87 HydrophobicContact CG-CD1 4.2Å; R83-I87 VanDerWaalsContact O-CG1 3.28Å; R83-I87 WeakPolarHBondContact O-CG1 3.44Å; R83-I87 PolarHBondContact O-N 2.85Å; R83-I87 VanDerWaalsContact O-N 3.1Å; I84-I87 PolarHBondContact O-N 2.85Å; K85-I87 VanDerWaalsContact C-N 3.34Å; K85-I87 PolarHBondContact O-N 3.18Å; I87-K90 PolarHBondContact O-N 3.39Å; I87-L91 HydrophobicContact CG2-CD1 3.93Å; I87-L91 HydrophobicContact CG2-CG 4.46Å; I87-L91 VanDerWaalsContact O-CG 3.3Å; I87-L91 WeakPolarHBondContact O-CG 3.19Å; I87-L91 PolarHBondContact O-N 2.78Å; I87-I463 HydrophobicContact CB-CD1 4.28Å; I87-I463 HydrophobicContact CB-CG2 4.33Å; I87-I463 HydrophobicContact CD1-CG2 3.67Å; I87-I463 HydrophobicContact CG2-CD1 3.64Å; I87-I463 HydrophobicContact CG2-CG1 4.12Å; I87-I463 HydrophobicContact CG2-CG2 4.29Å; I87-I467 HydrophobicContact CD1-CD1 4.46Å; I87-I513 HydrophobicContact CG2-CG1 4.41Å; I87-I517 HydrophobicContact CD1-CD1 4.21Å; I87-I517 HydrophobicContact CD1-CG1 4.17Å
88M97.6Very high94.9Very high34 Ų3473.5 Ų73.517%0.16735%0.353CS..Hα-helixtrans-58.5-49.2176.2-74.5-67.1-5500111.7I84 K85 K90 L91 D92 I459 N460 I463I84-M88 HydrophobicContact CG2-CG 4.29Å; I84-M88 WeakPolarHBondContact O-CB 3.01Å; I84-M88 VanDerWaalsContact O-CG 3.25Å; I84-M88 WeakPolarHBondContact O-CG 2.93Å; I84-M88 PolarHBondContact O-N 3.5Å; K85-M88 WeakPolarHBondContact O-CB 3.23Å; K85-M88 PolarHBondContact O-N 2.87Å; M88-K90 VanDerWaalsContact C-N 3.33Å; M88-K90 PolarHBondContact O-N 3.2Å; M88-L91 PolarHBondContact O-N 2.82Å; M88-L91 VanDerWaalsContact O-N 3.1Å; M88-D92 PolarHBondContact O-N 3.22Å; M88-I459 HydrophobicContact CE-CG2 3.89Å; M88-I459 HydrophobicContact SD-CG2 3.22Å; M88-I459 WeakPolarHBondContact SD-CG2 3.48Å; M88-N460 HydrophobicContact SD-CB 4.37Å; M88-I463 HydrophobicContact CG-CD1 4.24Å; M88-I463 HydrophobicContact SD-CD1 3.91Å
89E97.1Very high95.5Very high89 Ų8971.6 Ų71.642%0.41636%0.357SS..Hα-helixtrans-60.5-41.4-180-73.3178.7-179.900112K85 L91 D92 Q93K85-E89 WeakPolarHBondContact CE-OE1 3.25Å; K85-E89 IonicContact NZ-OE1 3.92Å; K85-E89 WeakPolarHBondContact O-CG 3.45Å; K85-E89 PolarHBondContact O-N 3.33Å; E89-L91 VanDerWaalsContact C-N 3.34Å; E89-L91 PolarHBondContact O-N 3.47Å; E89-D92 PolarHBondContact O-N 2.6Å; E89-Q93 VanDerWaalsContact O-CG 3.26Å; E89-Q93 WeakPolarHBondContact O-CG 3.28Å; E89-Q93 PolarHBondContact O-N 3.21Å
90K97.3Very high95.8Very high116 Ų11668.2 Ų68.250%0.50434%0.34SS..Hα-helixtrans-62.3-40.5174.4-73.1174.8-176.4177.80112.3D86 I87 M88 Q94D86-K90 WeakPolarHBondContact O-CG 3.44Å; D86-K90 PolarHBondContact O-N 3.35Å; D86-K90 VanDerWaalsContact O-N 3.16Å; I87-K90 PolarHBondContact O-N 3.39Å; M88-K90 VanDerWaalsContact C-N 3.33Å; M88-K90 PolarHBondContact O-N 3.2Å; K90-Q94 WeakPolarHBondContact O-CG 3.38Å; K90-Q94 PolarHBondContact O-N 3.01Å
91L97.5Very high95.6Very high6 Ų674 Ų743%0.03138%0.376CS..Hα-helixtrans-69.6-40.9178.4-68.7170000111.5I87 M88 E89 Q93 Q94 I95 W204 I463 I509 I513I87-L91 HydrophobicContact CG2-CD1 3.93Å; I87-L91 HydrophobicContact CG2-CG 4.46Å; I87-L91 VanDerWaalsContact O-CG 3.3Å; I87-L91 WeakPolarHBondContact O-CG 3.19Å; I87-L91 PolarHBondContact O-N 2.78Å; M88-L91 PolarHBondContact O-N 2.82Å; M88-L91 VanDerWaalsContact O-N 3.1Å; E89-L91 VanDerWaalsContact C-N 3.34Å; E89-L91 PolarHBondContact O-N 3.47Å; L91-Q93 VanDerWaalsContact C-N 3.31Å; L91-Q93 PolarHBondContact O-N 3.03Å; L91-Q94 PolarHBondContact O-N 3.18Å; L91-Q94 VanDerWaalsContact O-N 3.13Å; L91-I95 PolarHBondContact O-N 3.39Å; L91-W204 HydrophobicContact CB-CH2 3.9Å; L91-W204 HydrophobicContact CB-CZ2 3.65Å; L91-W204 HydrophobicContact CD1-CH2 3.88Å; L91-W204 HydrophobicContact CD1-CZ2 4.39Å; L91-W204 HydrophobicContact CG-CH2 4.43Å; L91-I463 HydrophobicContact CD1-CD1 4.31Å; L91-I509 HydrophobicContact CD1-CG2 4.17Å; L91-I509 HydrophobicContact CD2-CG2 4Å; L91-I513 HydrophobicContact CD1-CD1 3.79Å; L91-I513 HydrophobicContact CD1-CG1 4.09Å
92D96.6Very high95.5Very high71 Ų7175.1 Ų75.138%0.3838%0.381SS..Hα-helixtrans-63.7-36.5176.2-71.6-24.5000111.9M88 E89 Q94 I95 W204M88-D92 PolarHBondContact O-N 3.22Å; E89-D92 PolarHBondContact O-N 2.6Å; D92-Q94 VanDerWaalsContact C-N 3.34Å; D92-I95 CarbonylContact O-C 3.59Å; D92-I95 VanDerWaalsContact O-C 3.26Å; D92-I95 PolarHBondContact O-N 3.08Å; D92-W204 PolarHBondContact OD1-NE1 3.4Å
93Q95.4Very high95.4Very high151 Ų15172.7 Ų72.771%0.70637%0.369SS*.Hα-helixtrans-65-36.9172.4-73.217112.300112.5E89 L91E89-Q93 VanDerWaalsContact O-CG 3.26Å; E89-Q93 WeakPolarHBondContact O-CG 3.28Å; E89-Q93 PolarHBondContact O-N 3.21Å; L91-Q93 VanDerWaalsContact C-N 3.31Å; L91-Q93 PolarHBondContact O-N 3.03Å
94Q94.8Very high95.3Very high115 Ų11571.8 Ų71.854%0.53737%0.371SS..Hα-helixtrans-75.1-25.4177-71.1174.931.100112.8K90 L91 D92 P96K90-Q94 WeakPolarHBondContact O-CG 3.38Å; K90-Q94 PolarHBondContact O-N 3.01Å; L91-Q94 PolarHBondContact O-N 3.18Å; L91-Q94 VanDerWaalsContact O-N 3.13Å; D92-Q94 VanDerWaalsContact C-N 3.34Å; Q94-P96 VanDerWaalsContact O-CD 3.29Å; Q94-P96 WeakPolarHBondContact O-CD 3.37Å
95I97Very high95.2Very high17 Ų1773.3 Ų73.39%0.08738%0.381CS..SBendtrans-121.969.4-177.3-51.9152.8000109.1L91 D92 V200 W204 F505 I509L91-I95 PolarHBondContact O-N 3.39Å; D92-I95 CarbonylContact O-C 3.59Å; D92-I95 VanDerWaalsContact O-C 3.26Å; D92-I95 PolarHBondContact O-N 3.08Å; I95-V200 HydrophobicContact CG2-CG1 4.01Å; I95-W204 HydrophobicContact CB-CG 4.18Å; I95-W204 HydrophobicContact CD1-CD2 3.67Å; I95-W204 HydrophobicContact CD1-CE3 3.88Å; I95-W204 HydrophobicContact CD1-CG 4.05Å; I95-W204 HydrophobicContact CD1-CH2 4.4Å; I95-W204 HydrophobicContact CD1-CZ2 4.26Å; I95-W204 HydrophobicContact CD1-CZ3 4.25Å; I95-W204 HydrophobicContact CG2-CB 3.7Å; I95-W204 HydrophobicContact CG2-CG 3.76Å; I95-F505 HydrophobicContact CD1-CE2 4.27Å; I95-F505 HydrophobicContact CD1-CZ 3.86Å; I95-F505 HydrophobicContact CG1-CZ 4.4Å; I95-F505 HydrophobicContact CG2-CZ 4.4Å; I95-I509 HydrophobicContact CD1-CD1 3.84Å; I95-I509 HydrophobicContact CD1-CG1 4.34Å
96P95.9Very high95.2Very high39 Ų3967.9 Ų67.925%0.25336%0.357SS..  trans-64.3154.7-176.226.5-35.2000111.8Q94 R98 S201Q94-P96 VanDerWaalsContact O-CD 3.29Å; Q94-P96 WeakPolarHBondContact O-CD 3.37Å; P96-R98 PolarHBondContact O-N 2.85Å; P96-S201 PolarHBondContact O-OG 3.01Å
97P96.4Very high95.2Very high107 Ų10764.2 Ų64.270%0.69534%0.338SS*.  trans-55.5125.8169.4-2736.1000112S201P97-S201 VanDerWaalsContact CA-OG 3.23Å; P97-S201 WeakPolarHBondContact CA-OG 2.92Å
98R96.1Very high95.2Very high64 Ų6463.8 Ų63.824%0.24234%0.336CS..  trans-127.268.7177.2-61.7-60.3-175.6-165-3.3110.3P96 Y145 E198 S201P96-R98 PolarHBondContact O-N 2.85Å; R98-Y145 HydrophobicContact CG-CE2 4.36Å; R98-E198 HydrophobicContact CB-CG 4.25Å; R98-S201 PolarHBondContact N-OG 2.81Å
99P93.3Very high95.1Very high116 Ų11662.5 Ų62.575%0.75333%0.33SS*.  trans-64.8148.3175.330.1-34.8000110
100F93.4Very high94.9Very high32 Ų3262.5 Ų62.514%0.1434%0.337CS..  trans-141150.1177.669.6-78000109.9V103 T106 E198 E282 E283 L286F100-V103 HydrophobicContact CE2-CG2 4.35Å; F100-T106 HydrophobicContact CB-CG2 4.33Å; F100-T106 HydrophobicContact CD2-CG2 3.73Å; F100-T106 HydrophobicContact CE2-CG2 4.14Å; F100-T106 HydrophobicContact CG-CG2 3.94Å; F100-E198 HydrophobicContact CB-CB 4.49Å; F100-E198 HydrophobicContact CB-CG 4.08Å; F100-E198 HydrophobicContact CD1-CB 3.65Å; F100-E198 HydrophobicContact CD1-CG 4.18Å; F100-E198 HydrophobicContact CE1-CB 4.16Å; F100-E198 HydrophobicContact CG-CB 4.2Å; F100-E198 HydrophobicContact CG-CG 4.31Å; F100-E282 HydrophobicContact CE2-CB 4.48Å; F100-E282 HydrophobicContact CZ-CB 4.46Å; F100-E283 HydrophobicContact CE1-CG 3.79Å; F100-E283 HydrophobicContact CZ-CG 4.19Å; F100-L286 HydrophobicContact CD1-CD1 4.46Å; F100-L286 HydrophobicContact CE1-CD1 3.59Å; F100-L286 HydrophobicContact CE1-CG 4.43Å; F100-L286 HydrophobicContact CE2-CD1 4.26Å; F100-L286 HydrophobicContact CE2-CD2 4.37Å; F100-L286 HydrophobicContact CE2-CG 4.39Å; F100-L286 HydrophobicContact CZ-CD1 3.48Å; F100-L286 VanDerWaalsContact CZ-CD1 3.48Å; F100-L286 HydrophobicContact CZ-CD2 4.28Å; F100-L286 HydrophobicContact CZ-CG 3.82Å
101T86.8Confident94.9Very high129 Ų12960.9 Ų60.979%0.79133%0.331SS*.SBendtrans-97.2-29-17850.70000112.6
102H90.9Very high94.8Very high104 Ų10461.1 Ų61.148%0.48133%0.333SS..SBendtrans-147.2142.2-178.6-164.6-89.7000110.7N104 T105H102-N104 VanDerWaalsContact CE1-CG 3.45Å; H102-N104 PolarHBondContact CE1-ND2 2.85Å; H102-N104 WeakPolarHBondContact ND1-CB 3.47Å; H102-N104 VanDerWaalsContact ND1-CG 3.29Å; H102-N104 PolarHBondContact ND1-N 2.59Å; H102-N104 VanDerWaalsContact ND1-N 3.17Å; H102-N104 PolarHBondContact O-N 3.05Å; H102-T105 PolarHBondContact O-N 2.85Å; H102-T105 PolarHBondContact O-OG1 3.08Å
103V92.1Very high94.8Very high35 Ų3560.8 Ų60.821%0.21233%0.334CS..G310 helixtrans-54-31.3-179.61770000111.9F100 T105 T106 H138 S285 L286F100-V103 HydrophobicContact CE2-CG2 4.35Å; V103-T105 PolarHBondContact O-N 3.3Å; V103-T105 VanDerWaalsContact O-N 3.08Å; V103-T106 WeakPolarHBondContact O-CB 3.11Å; V103-T106 PolarHBondContact O-N 3.48Å; V103-T106 PolarHBondContact O-OG1 2.71Å; V103-H138 PolarHBondContact O-CD2 2.84Å; V103-S285 WeakPolarHBondContact CG2-OG 3.48Å; V103-L286 HydrophobicContact CB-CD2 4.48Å; V103-L286 HydrophobicContact CG1-CD2 3.95Å; V103-L286 HydrophobicContact CG2-CD2 4.14Å
104N94.7Very high94.8Very high64 Ų6454.2 Ų54.234%0.34231%0.305SS..G310 helixtrans-60.5-21.5179.5-67.8-1.5000114.7H102 T106 D137 H138 L139H102-N104 VanDerWaalsContact CE1-CG 3.45Å; H102-N104 PolarHBondContact CE1-ND2 2.85Å; H102-N104 WeakPolarHBondContact ND1-CB 3.47Å; H102-N104 VanDerWaalsContact ND1-CG 3.29Å; H102-N104 PolarHBondContact ND1-N 2.59Å; H102-N104 VanDerWaalsContact ND1-N 3.17Å; H102-N104 PolarHBondContact O-N 3.05Å; N104-T106 VanDerWaalsContact C-N 3.32Å; N104-D137 WeakPolarHBondContact O-CB 3.4Å; N104-H138 HydrophobicContact CB-CB 4.28Å; N104-H138 PolarHBondContact O-N 2.6Å; N104-L139 HydrophobicContact CB-CD2 4.19Å; N104-L139 HydrophobicContact CB-CG 4.21Å
105T94.7Very high94.8Very high40 Ų4052.3 Ų52.325%0.24530%0.302CS..G310 helixtrans-86.9-4.4176.867.70000112.8H102 V103H102-T105 PolarHBondContact O-N 2.85Å; H102-T105 PolarHBondContact O-OG1 3.08Å; V103-T105 PolarHBondContact O-N 3.3Å; V103-T105 VanDerWaalsContact O-N 3.08Å
106T96.9Very high94.7Very high2 Ų252.7 Ų52.71%0.01230%0.304CS..SBendtrans-87.3164.5178.671.90000111.8F100 V103 N104 S108 D137 H138 E198 L286F100-T106 HydrophobicContact CB-CG2 4.33Å; F100-T106 HydrophobicContact CD2-CG2 3.73Å; F100-T106 HydrophobicContact CE2-CG2 4.14Å; F100-T106 HydrophobicContact CG-CG2 3.94Å; V103-T106 WeakPolarHBondContact O-CB 3.11Å; V103-T106 PolarHBondContact O-N 3.48Å; V103-T106 PolarHBondContact O-OG1 2.71Å; N104-T106 VanDerWaalsContact C-N 3.32Å; T106-S108 PolarHBondContact O-N 2.99Å; T106-D137 VanDerWaalsContact O-CA 3.25Å; T106-D137 WeakPolarHBondContact O-CA 3.48Å; T106-H138 PolarHBondContact O-CD2 3.41Å; T106-H138 VanDerWaalsContact O-CD2 3.29Å; T106-E198 WeakPolarHBondContact CA-OE1 3.47Å; T106-E198 HydrophobicContact CG2-CB 3.97Å; T106-E198 HydrophobicContact CG2-CG 3.88Å; T106-L286 HydrophobicContact CG2-CD1 4.36Å; T106-L286 HydrophobicContact CG2-CD2 3.91Å
107T97.7Very high94.6Very high4 Ų453.9 Ų53.93%0.02531%0.308CS..BIsolated β-bridgetrans-60.1126-175.8-54.90000112.3V135 K143 D148 L193T107-V135 HydrophobicContact CG2-CB 3.87Å; T107-V135 HydrophobicContact CG2-CG1 4.1Å; T107-K143 VanDerWaalsContact OG1-CD 3.24Å; T107-K143 WeakPolarHBondContact OG1-CD 3.34Å; T107-K143 PolarHBondContact OG1-NZ 3.18Å; T107-D148 VanDerWaalsContact CB-OD1 3.25Å; T107-D148 WeakPolarHBondContact CB-OD1 3.48Å; T107-D148 PolarHBondContact OG1-OD1 3.05Å; T107-D148 PolarHBondContact OG1-OD2 3.33Å; T107-L193 HydrophobicContact CG2-CD1 4.14Å; T107-L193 HydrophobicContact CG2-CD2 3.91Å; T107-L193 WeakPolarHBondContact O-CD2 3.47Å
108S96.6Very high94.5Very high4 Ų455.5 Ų55.53%0.02831%0.31CS..  trans-105.4113.9177.7-170.60000110.8T106 T110 H111 S112 R136 D137 H138T106-S108 PolarHBondContact O-N 2.99Å; S108-T110 PolarHBondContact O-N 3.35Å; S108-H111 PolarHBondContact O-N 3.13Å; S108-H111 PolarHBondContact OG-ND1 3.17Å; S108-S112 WeakPolarHBondContact O-CB 3.5Å; S108-S112 PolarHBondContact O-N 3.44Å; S108-S112 PolarHBondContact O-OG 2.87Å; S108-R136 PolarHBondContact N-O 3.25Å; S108-D137 VanDerWaalsContact CB-C 3.49Å; S108-D137 WeakPolarHBondContact CB-O 3.4Å; S108-H138 PolarHBondContact OG-ND1 2.89Å
109A95.7Very high94.3Very high7 Ų757.2 Ų57.26%0.05833%0.33CS..THydrogen-bonded Turntrans-58.6-3217400000113L193 V294 M296A109-L193 HydrophobicContact CB-CB 4.3Å; A109-L193 HydrophobicContact CB-CD2 4.14Å; A109-V294 HydrophobicContact CB-CB 3.77Å; A109-V294 HydrophobicContact CB-CG1 3.55Å; A109-M296 HydrophobicContact CB-CG 3.8Å
110T94Very high94.2Very high90 Ų9057 Ų5755%0.55232%0.319SS*.THydrogen-bonded Turntrans-76.1-33.5-177.3-64.50000113.1S108 K298S108-T110 PolarHBondContact O-N 3.35Å; T110-K298 PolarHBondContact OG1-NZ 2.92Å
111H96Very high94Very high81 Ų8163.2 Ų63.238%0.37535%0.353SS..THydrogen-bonded Turntrans-90-21.9179.1-64.897.3000112.9S108 R136 H138S108-H111 PolarHBondContact O-N 3.13Å; S108-H111 PolarHBondContact OG-ND1 3.17Å; H111-R136 HydrophobicContact CB-CB 3.96Å; H111-R136 VanDerWaalsContact O-CD 3.32Å; H111-R136 WeakPolarHBondContact O-CD 3.39Å; H111-H138 PolarHBondContact CE1-O 2.83Å
112S96.8Very high94.3Very high11 Ų1160.3 Ų60.38%0.07734%0.335CS..  trans-65.7152.3178.3-60.50000111.1S108 E134 V135 R136 M296S108-S112 WeakPolarHBondContact O-CB 3.5Å; S108-S112 PolarHBondContact O-N 3.44Å; S108-S112 PolarHBondContact O-OG 2.87Å; S112-E134 WeakPolarHBondContact CA-O 3.33Å; S112-E134 WeakPolarHBondContact CB-O 3.49Å; S112-V135 WeakPolarHBondContact OG-CA 3.38Å; S112-R136 PolarHBondContact OG-N 2.71Å; S112-M296 WeakPolarHBondContact OG-CE 2.99Å
113T95.6Very high94.5Very high64 Ų6455.9 Ų55.939%0.39332%0.315SS..EExtended strand (participates in β ladder)trans-122.8129.6-175.9-51.50000109.7L133 E134T113-L133 WeakPolarHBondContact O-CA 3.46Å; T113-E134 PolarHBondContact N-O 2.77Å; T113-E134 PolarHBondContact O-N 2.85Å
114A95.8Very high94.7Very high14 Ų1455.7 Ų55.712%0.11632%0.315CS..EExtended strand (participates in β ladder)trans-106.4140.9170.100000108.8I131 L132 L133 M297 F300A114-I131 HydrophobicContact CB-CG2 3.92Å; A114-L132 CarbonylContact C-O 3.49Å; A114-L132 WeakPolarHBondContact CA-O 3.45Å; A114-L133 HydrophobicContact CB-CD1 4.23Å; A114-M297 HydrophobicContact CB-CG 3.84Å; A114-M297 HydrophobicContact CB-SD 4.42Å; A114-F300 HydrophobicContact CB-CE2 3.93Å; A114-F300 HydrophobicContact CB-CZ 3.78Å; A114-F300 WeakPolarHBondContact O-CZ 3.23Å
115T94.7Very high94.6Very high74 Ų7456.9 Ų56.945%0.45431%0.314SS..EExtended strand (participates in β ladder)trans-141.4125.3-179.7-56.80000109.8L117 I131 L132T115-L117 PolarHBondContact O-N 3.17Å; T115-I131 CarbonylContact O-C 3.59Å; T115-I131 WeakPolarHBondContact O-CA 3.29Å; T115-L132 PolarHBondContact N-O 3.1Å; T115-L132 PolarHBondContact O-N 2.51Å
116I94.3Very high94.4Very high26 Ų2657.1 Ų57.113%0.13333%0.325CS..EExtended strand (participates in β ladder)trans-66.9127.8172.4-71.7161.1000108.3P119 L129 I131 F300 V303I116-P119 HydrophobicContact CG2-CB 4.09Å; I116-L129 HydrophobicContact CG1-CD1 4.47Å; I116-L129 HydrophobicContact CG2-CD1 3.73Å; I116-I131 HydrophobicContact CG1-CD1 4.5Å; I116-I131 HydrophobicContact CG1-CG1 4.09Å; I116-F300 HydrophobicContact CD1-CD1 3.95Å; I116-F300 HydrophobicContact CD1-CE1 3.91Å; I116-F300 HydrophobicContact CG1-CD1 4.44Å; I116-F300 HydrophobicContact CG1-CE1 3.93Å; I116-V303 HydrophobicContact CD1-CG2 4.49Å
117L95.1Very high94.3Very high64 Ų6458.4 Ų58.434%0.33533%0.331SS..SBendtrans-82.3132.3174.9-61.6-178.1000109.4T115 D130 L132 L176T115-L117 PolarHBondContact O-N 3.17Å; L117-D130 HydrophobicContact CB-CB 4.35Å; L117-D130 HydrophobicContact CD1-CB 4.25Å; L117-D130 PolarHBondContact N-O 2.9Å; L117-L132 HydrophobicContact CD1-CB 4.26Å; L117-L132 HydrophobicContact CD2-CB 3.78Å; L117-L132 HydrophobicContact CG-CB 4.1Å; L117-L176 HydrophobicContact CD1-CD1 3.93Å
118N92.8Very high94.1Very high141 Ų14165.4 Ų65.475%0.75436%0.361SS*.SBendtrans51.859.9-179.6-52.7-46000113Q120N118-Q120 PolarHBondContact O-N 3.25Å
119P92.2Very high94.1Very high99 Ų9965.2 Ų65.264%0.64336%0.36SS*.  trans-61.8137.6-176.727.5-34.8000111.6I116 Y123I116-P119 HydrophobicContact CG2-CB 4.09Å; P119-Y123 WeakPolarHBondContact CA-OH 3.31Å
120Q91.4Very high94.2Very high112 Ų11267.2 Ų67.252%0.52337%0.37SS..  trans-120.5154.5174.6-58-179.630.300109.9N118 T122 Y123N118-Q120 PolarHBondContact O-N 3.25Å; Q120-T122 VanDerWaalsContact C-N 3.28Å; Q120-T122 WeakPolarHBondContact CB-O 3.3Å; Q120-T122 PolarHBondContact O-N 3.38Å; Q120-T122 PolarHBondContact OE1-O 2.74Å; Q120-Y123 HydrophobicContact CB-CD1 4.5Å; Q120-Y123 HydrophobicContact CB-CE1 4.13Å; Q120-Y123 HydrophobicContact CB-CE2 4.19Å; Q120-Y123 HydrophobicContact CG-CE1 4.26Å; Q120-Y123 PolarHBondContact N-OH 3.49Å; Q120-Y123 VanDerWaalsContact O-CE2 3.29Å; Q120-Y123 WeakPolarHBondContact O-CE2 3.36Å
121D89.6Confident94.3Very high163 Ų16363 Ų6387%0.87234%0.344SS*.SBendtrans-64.6-36.2175.1-65.6-30.6000111.7
122T93.6Very high94.4Very high67 Ų6761.5 Ų61.541%0.41134%0.338SS..SBendtrans-141.8151.2175.959.30000109.6Q120 E304 V306Q120-T122 VanDerWaalsContact C-N 3.28Å; Q120-T122 WeakPolarHBondContact CB-O 3.3Å; Q120-T122 PolarHBondContact O-N 3.38Å; Q120-T122 PolarHBondContact OE1-O 2.74Å; T122-E304 HydrophobicContact CG2-CB 4.37Å; T122-E304 HydrophobicContact CG2-CG 4.21Å; T122-V306 HydrophobicContact CG2-CG1 4.22Å
123Y95.1Very high94.4Very high12 Ų1261 Ų615%0.04734%0.335CS..EExtended strand (participates in β ladder)trans-119.8152.5178.3-63-101.2000110.5P119 Q120 L129 L181 V303 E304 V305 V306P119-Y123 WeakPolarHBondContact CA-OH 3.31Å; Q120-Y123 HydrophobicContact CB-CD1 4.5Å; Q120-Y123 HydrophobicContact CB-CE1 4.13Å; Q120-Y123 HydrophobicContact CB-CE2 4.19Å; Q120-Y123 HydrophobicContact CG-CE1 4.26Å; Q120-Y123 PolarHBondContact N-OH 3.49Å; Q120-Y123 VanDerWaalsContact O-CE2 3.29Å; Q120-Y123 WeakPolarHBondContact O-CE2 3.36Å; Y123-L129 HydrophobicContact CD1-CD1 4.22Å; Y123-L129 HydrophobicContact CE1-CD1 3.47Å; Y123-L129 VanDerWaalsContact CE1-CD1 3.47Å; Y123-L129 HydrophobicContact CE2-CD1 4.29Å; Y123-L129 WeakPolarHBondContact OH-CD1 3.36Å; Y123-L181 HydrophobicContact CD1-CD1 4.16Å; Y123-L181 HydrophobicContact CG-CD1 3.86Å; Y123-V303 HydrophobicContact CD2-CG1 3.38Å; Y123-V303 HydrophobicContact CE2-CG1 3.67Å; Y123-V303 HydrophobicContact CG-CG1 4.13Å; Y123-E304 PolarHBondContact N-O 2.69Å; Y123-V305 CarbonylContact O-C 3.54Å; Y123-V305 VanDerWaalsContact O-CA 3.28Å; Y123-V305 WeakPolarHBondContact O-CA 3.36Å; Y123-V306 WeakPolarHBondContact O-CG2 3.39Å; Y123-V306 PolarHBondContact O-N 3.01Å
124C94.4Very high94.5Very high31 Ų3160.7 Ų60.721%0.20933%0.329CS..EExtended strand (participates in β ladder)trans-83.2146.6175.6-69.80000112G126 D127 C308C124-G126 PolarHBondContact O-N 3.33Å; C124-D127 WeakPolarHBondContact CA-OD2 3.17Å; C124-D127 VanDerWaalsContact CB-OD2 3.26Å; C124-D127 WeakPolarHBondContact CB-OD2 3.37Å; C124-D127 PolarHBondContact N-OD2 3.29Å; C124-D127 VanDerWaalsContact O-CB 3.24Å; C124-D127 WeakPolarHBondContact O-CB 3.28Å; C124-D127 VanDerWaalsContact O-CG 3.31Å; C124-D127 PolarHBondContact O-N 2.85Å; C124-C308 WeakPolarHBondContact CA-SG 3.42Å; C124-C308 HydrophobicContact CB-CB 3.49Å; C124-C308 VanDerWaalsContact CB-CB 3.49Å; C124-C308 WeakPolarHBondContact CB-SG 3.46Å; C124-C308 WeakPolarHBondContact SG-CB 3.33Å; C124-C308 CovalentContact SG-SG 2.02Å; C124-C308 PolarHBondContact SG-SG 2.99Å
125R93.3Very high94.6Very high89 Ų8960 Ų6034%0.33632%0.323SS..THydrogen-bonded Turntrans-53.9129.2164.2-166.8179.295.9-150.77.6110.1E184 V305 V306 E312R125-E184 HydrophobicContact CB-CG 4.42Å; R125-E184 IonicContact CZ-OE1 2.69Å; R125-E184 IonicContact NH1-OE1 3.73Å; R125-E184 PolarHBondContact NH1-OE1 3.47Å; R125-V305 HydrophobicContact CB-CG1 4.35Å; R125-V306 PolarHBondContact N-O 3.03Å; R125-E312 IonicContact CZ-OE1 3.58Å; R125-E312 IonicContact NH2-OE1 2.79Å; R125-E312 PolarHBondContact NH2-OE1 3.15Å
126G91Very high94.8Very high45 Ų4560.5 Ų60.546%0.46432%0.317SS..THydrogen-bonded Turntrans89.1-2.4-176.900000114.7C124 L181C124-G126 PolarHBondContact O-N 3.33Å; G126-L181 PolarHBondContact N-O 2.95Å
127D93.9Very high94.9Very high28 Ų2859.6 Ų59.615%0.1531%0.312CS..  trans-67.3161.5172.3-73.4-7000112C124 L181 K310C124-D127 WeakPolarHBondContact CA-OD2 3.17Å; C124-D127 VanDerWaalsContact CB-OD2 3.26Å; C124-D127 WeakPolarHBondContact CB-OD2 3.37Å; C124-D127 PolarHBondContact N-OD2 3.29Å; C124-D127 VanDerWaalsContact O-CB 3.24Å; C124-D127 WeakPolarHBondContact O-CB 3.28Å; C124-D127 VanDerWaalsContact O-CG 3.31Å; C124-D127 PolarHBondContact O-N 2.85Å; D127-L181 HydrophobicContact CB-CD1 4.21Å; D127-L181 PolarHBondContact O-N 3.32Å; D127-K310 IonicContact OD1-NZ 2.7Å; D127-K310 PolarHBondContact OD1-NZ 2.86Å
128K94.4Very high95Very high151 Ų15159.9 Ų59.966%0.65731%0.312SS*.EExtended strand (participates in β ladder)trans-99.8130.2167.6-69-173.9177.3-179.70109.2F179K128-F179 CarbonylContact C-O 3.58Å; K128-F179 VanDerWaalsContact CA-O 3.29Å; K128-F179 WeakPolarHBondContact CA-O 3.38Å
129L95.8Very high95.2Very high1 Ų158 Ų581%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-106.7115.8170.1-179.476.1000108.2I116 Y123 F179 L181 L189 V303I116-L129 HydrophobicContact CG1-CD1 4.47Å; I116-L129 HydrophobicContact CG2-CD1 3.73Å; Y123-L129 HydrophobicContact CD1-CD1 4.22Å; Y123-L129 HydrophobicContact CE1-CD1 3.47Å; Y123-L129 VanDerWaalsContact CE1-CD1 3.47Å; Y123-L129 HydrophobicContact CE2-CD1 4.29Å; Y123-L129 WeakPolarHBondContact OH-CD1 3.36Å; L129-F179 HydrophobicContact CB-CB 4.39Å; L129-F179 PolarHBondContact N-O 3.47Å; L129-F179 PolarHBondContact O-N 3.49Å; L129-L181 HydrophobicContact CB-CD1 4.44Å; L129-L181 HydrophobicContact CB-CD2 4.02Å; L129-L181 HydrophobicContact CB-CG 4.36Å; L129-L189 HydrophobicContact CD2-CD1 3.55Å; L129-L189 HydrophobicContact CD2-CD2 4.07Å; L129-L189 HydrophobicContact CD2-CG 4.44Å; L129-V303 HydrophobicContact CD2-CG2 3.92Å
130D97.3Very high95.4Very high49 Ų4954.2 Ų54.226%0.26228%0.28SS..EExtended strand (participates in β ladder)trans-106136-178.7-74.5-27.6000110.6L117 L176 S178L117-D130 HydrophobicContact CB-CB 4.35Å; L117-D130 HydrophobicContact CD1-CB 4.25Å; L117-D130 PolarHBondContact N-O 2.9Å; D130-L176 HydrophobicContact CB-CD1 3.91Å; D130-S178 WeakPolarHBondContact OD1-CA 3.24Å; D130-S178 WeakPolarHBondContact OD1-CB 3.41Å; D130-S178 PolarHBondContact OD1-OG 3.25Å
131I96.6Very high95.7Very high0 Ų055.1 Ų55.10%028%0.279CS..EExtended strand (participates in β ladder)trans-124.5125.7179.2-55.6177.4000108.1A114 T115 I116 V177 F179 L189 M297A114-I131 HydrophobicContact CB-CG2 3.92Å; T115-I131 CarbonylContact O-C 3.59Å; T115-I131 WeakPolarHBondContact O-CA 3.29Å; I116-I131 HydrophobicContact CG1-CD1 4.5Å; I116-I131 HydrophobicContact CG1-CG1 4.09Å; I131-V177 HydrophobicContact CB-CB 4.23Å; I131-V177 PolarHBondContact N-O 2.9Å; I131-V177 PolarHBondContact O-N 3.17Å; I131-F179 HydrophobicContact CD1-CD2 4.2Å; I131-F179 HydrophobicContact CD1-CE2 3.74Å; I131-L189 HydrophobicContact CD1-CD1 3.91Å; I131-M297 HydrophobicContact CD1-SD 3.79Å
132L97.8Very high96.1Very high51 Ų5152 Ų5227%0.26726%0.255SS..EExtended strand (participates in β ladder)trans-84.8120.5167.8-179.165.9000108.8A114 T115 L117 E134A114-L132 CarbonylContact C-O 3.49Å; A114-L132 WeakPolarHBondContact CA-O 3.45Å; T115-L132 PolarHBondContact N-O 3.1Å; T115-L132 PolarHBondContact O-N 2.51Å; L117-L132 HydrophobicContact CD1-CB 4.26Å; L117-L132 HydrophobicContact CD2-CB 3.78Å; L117-L132 HydrophobicContact CG-CB 4.1Å; L132-E134 HydrophobicContact CG-CG 4.46Å
133L98.2Very high96.2Very high0 Ų049.2 Ų49.20%024%0.237CC..EExtended strand (participates in β ladder)trans-101.9121.8169.8176.574.2000108.8T113 A114 V135 L150 T174 Y175 L191 M296T113-L133 WeakPolarHBondContact O-CA 3.46Å; A114-L133 HydrophobicContact CB-CD1 4.23Å; L133-V135 HydrophobicContact CD2-CG1 3.66Å; L133-V135 HydrophobicContact CG-CG1 3.86Å; L133-L150 HydrophobicContact CD2-CD1 3.47Å; L133-L150 VanDerWaalsContact CD2-CD1 3.47Å; L133-T174 CarbonylContact O-C 3.55Å; L133-T174 WeakPolarHBondContact O-CA 3.34Å; L133-Y175 HydrophobicContact CD2-CD2 3.81Å; L133-Y175 HydrophobicContact CD2-CG 4.25Å; L133-Y175 HydrophobicContact CG-CD2 4.37Å; L133-Y175 PolarHBondContact N-O 3.07Å; L133-Y175 PolarHBondContact O-N 3.34Å; L133-L191 HydrophobicContact CB-CD2 4.47Å; L133-L191 HydrophobicContact CD1-CD2 3.98Å; L133-L191 HydrophobicContact CD2-CD2 4.07Å; L133-L191 HydrophobicContact CG-CD2 4.4Å; L133-M296 HydrophobicContact CD1-CE 3.83Å; L133-M296 HydrophobicContact CD1-SD 4.27Å; L133-M296 HydrophobicContact CD2-CE 4.07Å; L133-M296 HydrophobicContact CD2-SD 4.07Å; L133-M296 HydrophobicContact CG-CE 4.44Å
134E98.1Very high96.3Very high58 Ų5855 Ų5527%0.27127%0.265SS..EExtended strand (participates in β ladder)trans-104.5116166.9-65.9-162.69300109.6S112 T113 L132 R142 T174S112-E134 WeakPolarHBondContact CA-O 3.33Å; S112-E134 WeakPolarHBondContact CB-O 3.49Å; T113-E134 PolarHBondContact N-O 2.77Å; T113-E134 PolarHBondContact O-N 2.85Å; L132-E134 HydrophobicContact CG-CG 4.46Å; E134-R142 IonicContact OE1-CZ 3.76Å; E134-R142 IonicContact OE1-NE 3.55Å; E134-R142 IonicContact OE1-NH1 3.9Å; E134-T174 HydrophobicContact CB-CG2 4.5Å; E134-T174 HydrophobicContact CG-CG2 3.85Å
135V98Very high96.4Very high0 Ų056.1 Ų56.10%027%0.265CS..  trans-89.4138.3-177.5-61.20000112.2T107 S112 L133 K143 G173 Y175 M296T107-V135 HydrophobicContact CG2-CB 3.87Å; T107-V135 HydrophobicContact CG2-CG1 4.1Å; S112-V135 WeakPolarHBondContact OG-CA 3.38Å; L133-V135 HydrophobicContact CD2-CG1 3.66Å; L133-V135 HydrophobicContact CG-CG1 3.86Å; V135-K143 HydrophobicContact CG2-CB 4.11Å; V135-K143 HydrophobicContact CG2-CD 4.22Å; V135-K143 HydrophobicContact CG2-CG 4.46Å; V135-K143 PolarHBondContact O-N 3.16Å; V135-K143 VanDerWaalsContact O-N 3.1Å; V135-G173 VanDerWaalsContact CG2-O 3.28Å; V135-G173 WeakPolarHBondContact CG2-O 3.39Å; V135-G173 PolarHBondContact N-O 2.95Å; V135-Y175 HydrophobicContact CB-CE2 4.34Å; V135-Y175 HydrophobicContact CG1-CD2 3.87Å; V135-Y175 HydrophobicContact CG1-CE2 3.57Å; V135-Y175 HydrophobicContact CG2-CE2 3.77Å; V135-M296 HydrophobicContact CG1-CE 4.07Å
136R98.1Very high96.5Very high83 Ų8351.9 Ų51.931%0.31325%0.249SC..BIsolated β-bridgetrans-126.2153.4179.9-64-174.6175.6-114.41.6110.7S108 H111 S112 G140 R141S108-R136 PolarHBondContact N-O 3.25Å; H111-R136 HydrophobicContact CB-CB 3.96Å; H111-R136 VanDerWaalsContact O-CD 3.32Å; H111-R136 WeakPolarHBondContact O-CD 3.39Å; S112-R136 PolarHBondContact OG-N 2.71Å; R136-G140 WeakPolarHBondContact CD-O 3.49Å; R136-G140 PolarHBondContact NH1-O 3.38Å; R136-R141 CarbonylContact C-O 3.52Å; R136-R141 WeakPolarHBondContact CA-O 3.41Å; R136-R141 WeakPolarHBondContact CB-O 3.26Å
137D97.3Very high96.8Very high8 Ų850.9 Ų50.94%0.04324%0.238CC..BIsolated β-bridgetrans-75.7178.2171.775.54.3000111.8N104 T106 S108 L139 G140 R141N104-D137 WeakPolarHBondContact O-CB 3.4Å; T106-D137 VanDerWaalsContact O-CA 3.25Å; T106-D137 WeakPolarHBondContact O-CA 3.48Å; S108-D137 VanDerWaalsContact CB-C 3.49Å; S108-D137 WeakPolarHBondContact CB-O 3.4Å; D137-L139 PolarHBondContact O-N 3.03Å; D137-L139 VanDerWaalsContact OD1-C 3.28Å; D137-L139 VanDerWaalsContact OD1-CA 3.31Å; D137-L139 WeakPolarHBondContact OD1-CA 3.28Å; D137-L139 WeakPolarHBondContact OD1-CB 3.17Å; D137-L139 PolarHBondContact OD1-N 2.95Å; D137-G140 PolarHBondContact O-N 3.46Å; D137-G140 VanDerWaalsContact O-N 3.07Å; D137-G140 PolarHBondContact OD1-N 3Å; D137-R141 PolarHBondContact N-O 3.07Å; D137-R141 WeakPolarHBondContact OD1-CB 3.35Å; D137-R141 PolarHBondContact OD1-N 2.88Å; D137-R141 IonicContact OD1-NE 3.84Å; D137-R141 IonicContact OD2-CZ 3.21Å; D137-R141 IonicContact OD2-NE 2.82Å; D137-R141 PolarHBondContact OD2-NE 3.27Å; D137-R141 IonicContact OD2-NH2 2.74Å; D137-R141 PolarHBondContact OD2-NH2 3.21Å
138H96.6Very high97Very high69 Ų6950.1 Ų50.132%0.31923%0.234SC..THydrogen-bonded Turntrans-72.1-6.4178.8-68.8-100000113.7V103 N104 T106 S108 H111V103-H138 PolarHBondContact O-CD2 2.84Å; N104-H138 HydrophobicContact CB-CB 4.28Å; N104-H138 PolarHBondContact O-N 2.6Å; T106-H138 PolarHBondContact O-CD2 3.41Å; T106-H138 VanDerWaalsContact O-CD2 3.29Å; S108-H138 PolarHBondContact OG-ND1 2.89Å; H111-H138 PolarHBondContact CE1-O 2.83Å
139L96.5Very high97.2Very high101 Ų10143.9 Ų43.953%0.52921%0.207SC..THydrogen-bonded Turntrans-96.57.4171.6-55.5-176.9000111.6N104 D137 R141N104-L139 HydrophobicContact CB-CD2 4.19Å; N104-L139 HydrophobicContact CB-CG 4.21Å; D137-L139 PolarHBondContact O-N 3.03Å; D137-L139 VanDerWaalsContact OD1-C 3.28Å; D137-L139 VanDerWaalsContact OD1-CA 3.31Å; D137-L139 WeakPolarHBondContact OD1-CA 3.28Å; D137-L139 WeakPolarHBondContact OD1-CB 3.17Å; D137-L139 PolarHBondContact OD1-N 2.95Å; L139-R141 VanDerWaalsContact C-N 3.27Å; L139-R141 HydrophobicContact CB-CG 4.39Å; L139-R141 PolarHBondContact O-N 3.1Å
140G96.6Very high97.3Very high20 Ų2044.6 Ų44.621%0.20621%0.211CC..SBendtrans75.110.7179.900000114.3R136 D137R136-G140 WeakPolarHBondContact CD-O 3.49Å; R136-G140 PolarHBondContact NH1-O 3.38Å; D137-G140 PolarHBondContact O-N 3.46Å; D137-G140 VanDerWaalsContact O-N 3.07Å; D137-G140 PolarHBondContact OD1-N 3Å
141R97.3Very high97.3Very high132 Ų13243.1 Ų43.150%0.49820%0.201SC..PPolyproline II helixtrans-85.3137178.9-57.8176.6-62.4-178.74.1109.8R136 D137 L139 K143R136-R141 CarbonylContact C-O 3.52Å; R136-R141 WeakPolarHBondContact CA-O 3.41Å; R136-R141 WeakPolarHBondContact CB-O 3.26Å; D137-R141 PolarHBondContact N-O 3.07Å; D137-R141 WeakPolarHBondContact OD1-CB 3.35Å; D137-R141 PolarHBondContact OD1-N 2.88Å; D137-R141 IonicContact OD1-NE 3.84Å; D137-R141 IonicContact OD2-CZ 3.21Å; D137-R141 IonicContact OD2-NE 2.82Å; D137-R141 PolarHBondContact OD2-NE 3.27Å; D137-R141 IonicContact OD2-NH2 2.74Å; D137-R141 PolarHBondContact OD2-NH2 3.21Å; L139-R141 VanDerWaalsContact C-N 3.27Å; L139-R141 HydrophobicContact CB-CG 4.39Å; L139-R141 PolarHBondContact O-N 3.1Å; R141-K143 PolarHBondContact O-N 2.89Å
142R97.6Very high97.4Very high96 Ų9643.3 Ų43.336%0.36220%0.203SC..BIsolated β-bridgetrans-65.8128.8176.5-177.7176.9166-154-8.2110.3E134 Q144 N172E134-R142 IonicContact OE1-CZ 3.76Å; E134-R142 IonicContact OE1-NE 3.55Å; E134-R142 IonicContact OE1-NH1 3.9Å; R142-Q144 PolarHBondContact O-NE2 3.4Å; R142-N172 PolarHBondContact NH2-O 3.27Å
143K97.2Very high97.4Very high9 Ų942.8 Ų42.84%0.03920%0.198CC..PPolyproline II helixtrans-72.3150.3174.6-65-172.854.8171.20110.6T107 V135 R141 G173 S197 E198T107-K143 VanDerWaalsContact OG1-CD 3.24Å; T107-K143 WeakPolarHBondContact OG1-CD 3.34Å; T107-K143 PolarHBondContact OG1-NZ 3.18Å; V135-K143 HydrophobicContact CG2-CB 4.11Å; V135-K143 HydrophobicContact CG2-CD 4.22Å; V135-K143 HydrophobicContact CG2-CG 4.46Å; V135-K143 PolarHBondContact O-N 3.16Å; V135-K143 VanDerWaalsContact O-N 3.1Å; R141-K143 PolarHBondContact O-N 2.89Å; K143-G173 WeakPolarHBondContact O-CA 2.93Å; K143-S197 PolarHBondContact NZ-OG 3.05Å; K143-E198 VanDerWaalsContact NZ-CD 3.26Å; K143-E198 IonicContact NZ-OE1 3.62Å; K143-E198 PolarHBondContact NZ-OE1 2.86Å; K143-E198 IonicContact NZ-OE2 2.61Å; K143-E198 PolarHBondContact NZ-OE2 3.41Å
144Q95.8Very high97.3Very high135 Ų13542.9 Ų42.963%0.63120%0.198SC*.SBendtrans-1049.4-178.8-58-56.1-4900112.8R142R142-Q144 PolarHBondContact O-NE2 3.4Å
145Y96.4Very high97.2Very high54 Ų5440.8 Ų40.821%0.21219%0.19CC..  trans-150156.3-177.455.5-89.4000110.4R98 G173 S197 E198R98-Y145 HydrophobicContact CG-CE2 4.36Å; Y145-G173 WeakPolarHBondContact O-CA 3.43Å; Y145-G173 PolarHBondContact O-N 2.93Å; Y145-S197 VanDerWaalsContact CE2-OG 3.31Å; Y145-S197 WeakPolarHBondContact CE2-OG 3.13Å; Y145-E198 PolarHBondContact OH-OE1 3.16Å
146G96.5Very high97.2Very high0 Ų041.1 Ų41.10%019%0.192CC..  trans-99.3-153.3173.900000113.6D169 Y175 S197G146-D169 WeakPolarHBondContact CA-OD2 3.24Å; G146-Y175 WeakPolarHBondContact CA-OH 3.44Å; G146-S197 VanDerWaalsContact O-CB 3.24Å; G146-S197 WeakPolarHBondContact O-CB 3.37Å
147G97.3Very high96.9Very high23 Ų2342 Ų4224%0.23721%0.208CC..  trans103.66.2179.400000114.1D169 Y175 S197G147-D169 PolarHBondContact N-OD2 3.48Å; G147-Y175 PolarHBondContact N-OH 3.38Å; G147-Y175 VanDerWaalsContact N-OH 3.1Å; G147-S197 VanDerWaalsContact O-CA 3.31Å; G147-S197 WeakPolarHBondContact O-CA 3.39Å
148D98.4Very high96.8Very high12 Ų1246.2 Ų46.26%0.06425%0.245CC..  trans-66.2135.2176.6-61-67.3000110.1T107 L150 Y175 L193 P196 S197T107-D148 VanDerWaalsContact CB-OD1 3.25Å; T107-D148 WeakPolarHBondContact CB-OD1 3.48Å; T107-D148 PolarHBondContact OG1-OD1 3.05Å; T107-D148 PolarHBondContact OG1-OD2 3.33Å; D148-L150 HydrophobicContact CB-CD2 4Å; D148-L150 HydrophobicContact CB-CG 4.02Å; D148-L150 PolarHBondContact O-N 2.91Å; D148-Y175 VanDerWaalsContact CB-OH 3.23Å; D148-Y175 WeakPolarHBondContact CB-OH 3.25Å; D148-Y175 PolarHBondContact N-OH 3.32Å; D148-Y175 PolarHBondContact OD2-OH 3.03Å; D148-L193 HydrophobicContact CB-CD1 4Å; D148-P196 WeakPolarHBondContact OD1-CA 3.09Å; D148-S197 PolarHBondContact OD1-N 3.1Å
149F98.3Very high96.8Very high20 Ų2045.9 Ų45.99%0.08825%0.245CC..EExtended strand (participates in β ladder)trans-85.6100.9173-172.6-125000108.9I194 H195 V200 D504 F505 Y508 W529F149-I194 HydrophobicContact CD1-CB 3.57Å; F149-I194 HydrophobicContact CD1-CG1 4.15Å; F149-I194 HydrophobicContact CD1-CG2 3.57Å; F149-I194 HydrophobicContact CE1-CB 4.11Å; F149-I194 HydrophobicContact CE1-CG1 4.3Å; F149-I194 HydrophobicContact CE1-CG2 3.88Å; F149-I194 HydrophobicContact CG-CB 4.4Å; F149-I194 WeakPolarHBondContact O-CA 3.21Å; F149-I194 VanDerWaalsContact O-CB 3.24Å; F149-I194 WeakPolarHBondContact O-CB 3.49Å; F149-I194 PolarHBondContact O-N 3.16Å; F149-H195 HydrophobicContact CB-CB 4.27Å; F149-H195 PolarHBondContact N-O 3.1Å; F149-H195 PolarHBondContact O-N 3.2Å; F149-V200 HydrophobicContact CB-CG2 3.53Å; F149-D504 HydrophobicContact CE1-CB 4.09Å; F149-D504 HydrophobicContact CZ-CB 4.44Å; F149-F505 HydrophobicContact CD1-CB 3.86Å; F149-F505 HydrophobicContact CD2-CD2 4.28Å; F149-F505 HydrophobicContact CE1-CB 4.03Å; F149-F505 HydrophobicContact CG-CB 4.2Å; F149-F505 HydrophobicContact CG-CD2 4.36Å; F149-F505 HydrophobicContact CZ-CB 4.47Å; F149-Y508 HydrophobicContact CD2-CD1 4.49Å; F149-Y508 AromaticContact CE2-CD1 3.83Å; F149-Y508 HydrophobicContact CE2-CD1 3.83Å; F149-Y508 HydrophobicContact CE2-CD2 4.41Å; F149-Y508 AromaticContact CE2-CG 3.73Å; F149-Y508 HydrophobicContact CE2-CG 3.73Å; F149-Y508 HydrophobicContact CZ-CG 4.3Å; F149-W529 HydrophobicContact CZ-CZ2 4.37Å
150L98.3Very high96.7Very high16 Ų1645.4 Ų45.48%0.08424%0.241CC..EExtended strand (participates in β ladder)trans-106.1148-175.6-57.8176.3000111.2L133 D148 V167 Y175 L191 L192 L193 M296L133-L150 HydrophobicContact CD2-CD1 3.47Å; L133-L150 VanDerWaalsContact CD2-CD1 3.47Å; D148-L150 HydrophobicContact CB-CD2 4Å; D148-L150 HydrophobicContact CB-CG 4.02Å; D148-L150 PolarHBondContact O-N 2.91Å; L150-V167 HydrophobicContact CB-CG1 4.18Å; L150-V167 HydrophobicContact CB-CG2 4.17Å; L150-V167 HydrophobicContact CD1-CG1 3.95Å; L150-Y175 HydrophobicContact CD1-CD1 3.85Å; L150-Y175 HydrophobicContact CD1-CD2 4.13Å; L150-Y175 HydrophobicContact CD1-CE1 4.08Å; L150-Y175 HydrophobicContact CD1-CE2 4.34Å; L150-Y175 HydrophobicContact CD1-CG 3.9Å; L150-L191 HydrophobicContact CB-CD1 4.3Å; L150-L192 CarbonylContact C-O 3.57Å; L150-L192 WeakPolarHBondContact CA-O 3.16Å; L150-L193 HydrophobicContact CD2-CB 4.33Å; L150-L193 HydrophobicContact CD2-CD1 3.61Å; L150-M296 HydrophobicContact CD2-SD 3.74Å
151R97.6Very high96.8Very high18 Ų1844.6 Ų44.67%0.06823%0.232CC..EExtended strand (participates in β ladder)trans-125.5112.9172.4-177.1-177-59.8-173-0.8110.1L191 L192 I194 D504 I533 N538R151-L191 WeakPolarHBondContact O-CA 3.3Å; R151-L192 HydrophobicContact CB-CB 4.36Å; R151-L192 PolarHBondContact N-O 3.15Å; R151-L192 PolarHBondContact O-N 2Å; R151-I194 HydrophobicContact CB-CD1 3.9Å; R151-I194 HydrophobicContact CB-CG1 3.79Å; R151-D504 IonicContact CZ-OD2 3.85Å; R151-D504 IonicContact NH1-OD2 3.47Å; R151-D504 IonicContact NH2-OD2 3.97Å; R151-D504 PolarHBondContact NH2-OD2 3.4Å; R151-I533 HydrophobicContact CG-CD1 4.48Å; R151-I533 HydrophobicContact CG-CG2 4.39Å; R151-N538 PolarHBondContact NH1-OD1 3.5Å
152A97.6Very high96.8Very high4 Ų438.3 Ų38.33%0.03321%0.209CC..EExtended strand (participates in β ladder)trans-98.3136.1175.700000110.8G165 V167 V177 F179 S190 L191A152-G165 PolarHBondContact O-N 2.68Å; A152-V167 HydrophobicContact CB-CG2 4Å; A152-V177 HydrophobicContact CB-CG1 3.43Å; A152-V177 VanDerWaalsContact CB-CG1 3.43Å; A152-F179 HydrophobicContact CB-CE1 4.01Å; A152-F179 HydrophobicContact CB-CZ 3.77Å; A152-S190 WeakPolarHBondContact CA-O 3.42Å; A152-L191 HydrophobicContact CB-CD1 3.97Å
153R97.1Very high96.8Very high41 Ų4133.7 Ų33.716%0.15519%0.191CC..EExtended strand (participates in β ladder)trans-147.4137.1177.5-177.3178.1177.6-83.5-8.1110.7S155 A163 F179 S190 I533 A534R153-S155 VanDerWaalsContact CZ-CB 3.48Å; R153-S155 PolarHBondContact NH1-OG 3.26Å; R153-A163 WeakPolarHBondContact CA-O 3.3Å; R153-F179 VanDerWaalsContact C-CE1 3.49Å; R153-S190 PolarHBondContact N-O 3.19Å; R153-S190 PolarHBondContact O-N 2.77Å; R153-I533 HydrophobicContact CB-CG2 4.42Å; R153-I533 WeakPolarHBondContact CD-O 3.25Å; R153-I533 PolarHBondContact NE-O 2.75Å; R153-A534 PolarHBondContact NE-O 2.97Å; R153-A534 PolarHBondContact NH2-O 2.8Å
154M96.7Very high96.9Very high1 Ų133.4 Ų33.41%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-111.1148.816766.1167.3-166.900110.4G162 A163 F179 T180 L181 F182 W183 I187 S188 L189M154-G162 VanDerWaalsContact O-CA 3.25Å; M154-G162 WeakPolarHBondContact O-CA 3.41Å; M154-A163 HydrophobicContact CE-CB 3.5Å; M154-A163 HydrophobicContact CG-CB 4.08Å; M154-A163 PolarHBondContact N-O 3.12Å; M154-A163 PolarHBondContact O-N 3.03Å; M154-F179 HydrophobicContact CB-CD1 3.78Å; M154-F179 HydrophobicContact CB-CE1 3.99Å; M154-F179 HydrophobicContact CB-CG 4.42Å; M154-F179 HydrophobicContact CG-CD1 3.84Å; M154-F179 HydrophobicContact CG-CE1 4.39Å; M154-F179 HydrophobicContact SD-CB 4.06Å; M154-F179 HydrophobicContact SD-CD1 4.26Å; M154-F179 HydrophobicContact SD-CG 4.48Å; M154-T180 WeakPolarHBondContact CE-O 3.37Å; M154-L181 HydrophobicContact SD-CD2 4.09Å; M154-F182 HydrophobicContact CE-CB 4.35Å; M154-F182 HydrophobicContact CE-CD2 3.53Å; M154-F182 HydrophobicContact CE-CE2 4.3Å; M154-F182 HydrophobicContact CE-CG 4.34Å; M154-W183 HydrophobicContact CE-CE3 4.34Å; M154-W183 HydrophobicContact CE-CH2 3.59Å; M154-W183 HydrophobicContact CE-CZ2 4.38Å; M154-W183 HydrophobicContact CE-CZ3 3.57Å; M154-W183 HydrophobicContact CG-CH2 3.99Å; M154-W183 HydrophobicContact SD-CH2 4.27Å; M154-I187 HydrophobicContact CB-CG2 3.73Å; M154-I187 HydrophobicContact CG-CG2 4.43Å; M154-I187 HydrophobicContact SD-CD1 4.38Å; M154-I187 HydrophobicContact SD-CG2 4.25Å; M154-S188 CarbonylContact C-O 3.5Å; M154-S188 WeakPolarHBondContact CA-O 2.84Å; M154-L189 HydrophobicContact CB-CD2 3.72Å
155S96.9Very high96.9Very high14 Ų1427.2 Ų27.210%0.09816%0.163CC..EExtended strand (participates in β ladder)trans-161.2157.4-179.359.50000115.6R153 A161 S188R153-S155 VanDerWaalsContact CZ-CB 3.48Å; R153-S155 PolarHBondContact NH1-OG 3.26Å; S155-A161 VanDerWaalsContact CA-O 3.3Å; S155-A161 WeakPolarHBondContact CA-O 3.47Å; S155-A161 VanDerWaalsContact CB-O 3.22Å; S155-A161 WeakPolarHBondContact CB-O 3.18Å; S155-S188 PolarHBondContact N-O 2.94Å; S155-S188 PolarHBondContact O-N 3.19Å
156S96.8Very high97Very high7 Ų729.7 Ų29.75%0.04918%0.175CC..EExtended strand (participates in β ladder)trans-129.998.9169.5-54.30000108.2A158 L159 M160 A161 W183 Q186S156-A158 VanDerWaalsContact C-N 3.3Å; S156-A158 PolarHBondContact O-N 2.94Å; S156-L159 PolarHBondContact O-N 3.22Å; S156-M160 PolarHBondContact O-N 3.4Å; S156-A161 PolarHBondContact N-O 3.38Å; S156-A161 VanDerWaalsContact N-O 3.1Å; S156-A161 PolarHBondContact O-N 3.15Å; S156-A161 VanDerWaalsContact O-N 3.16Å; S156-W183 PolarHBondContact OG-NE1 2.91Å; S156-Q186 WeakPolarHBondContact CB-O 3.4Å; S156-Q186 PolarHBondContact OG-O 2.65Å
157P93.5Very high97Very high101 Ų10131.9 Ų31.966%0.65619%0.188SC*.G310 helixtrans-55.6-40.5-174.7-29.336.2000114L159 M160P157-L159 PolarHBondContact O-N 3.33Å; P157-M160 PolarHBondContact O-N 3.48Å
158A94.6Very high97.1Very high98 Ų9833.1 Ų33.181%0.8119%0.191SC*.G310 helixtrans-60.7-31.8178.700000113.2S156S156-A158 VanDerWaalsContact C-N 3.3Å; S156-A158 PolarHBondContact O-N 2.94Å
159L95.8Very high97Very high62 Ų6234.7 Ų34.733%0.32520%0.199SC..G310 helixtrans-90.5-3.2177.6-59.7-179.8000112.8S156 P157 A161 L332 K333S156-L159 PolarHBondContact O-N 3.22Å; P157-L159 PolarHBondContact O-N 3.33Å; L159-A161 HydrophobicContact CB-CB 3.86Å; L159-A161 PolarHBondContact O-N 3.12Å; L159-L332 HydrophobicContact CB-CD1 4.15Å; L159-K333 WeakPolarHBondContact O-CA 3.48Å; L159-K333 PolarHBondContact O-N 3.35Å
160M95.6Very high97Very high91 Ų9138.4 Ų38.445%0.44822%0.216SC..THydrogen-bonded Turntrans4942.2-167.8-60.7173.4-99.700110.9S156 P157 T331 K334S156-M160 PolarHBondContact O-N 3.4Å; P157-M160 PolarHBondContact O-N 3.48Å; M160-T331 PolarHBondContact O-OG1 3.41Å; M160-K334 HydrophobicContact CB-CG 4.03Å; M160-K334 HydrophobicContact CG-CG 4.37Å; M160-K334 HydrophobicContact SD-CD 3.66Å; M160-K334 WeakPolarHBondContact SD-CE 3.29Å; M160-K334 HydrophobicContact SD-CG 3.66Å
161A97.3Very high96.9Very high2 Ų242.5 Ų42.52%0.01724%0.238CC..EExtended strand (participates in β ladder)trans-107.7147.6-174.500000111.9S155 S156 L159 W183 T331 L332S155-A161 VanDerWaalsContact CA-O 3.3Å; S155-A161 WeakPolarHBondContact CA-O 3.47Å; S155-A161 VanDerWaalsContact CB-O 3.22Å; S155-A161 WeakPolarHBondContact CB-O 3.18Å; S156-A161 PolarHBondContact N-O 3.38Å; S156-A161 VanDerWaalsContact N-O 3.1Å; S156-A161 PolarHBondContact O-N 3.15Å; S156-A161 VanDerWaalsContact O-N 3.16Å; L159-A161 HydrophobicContact CB-CB 3.86Å; L159-A161 PolarHBondContact O-N 3.12Å; A161-W183 HydrophobicContact CB-CD2 3.7Å; A161-W183 VanDerWaalsContact CB-CE2 3.5Å; A161-W183 HydrophobicContact CB-CE3 4.06Å; A161-W183 HydrophobicContact CB-CG 4.24Å; A161-W183 HydrophobicContact CB-CH2 4.13Å; A161-W183 HydrophobicContact CB-CZ2 3.75Å; A161-W183 HydrophobicContact CB-CZ3 4.26Å; A161-T331 CarbonylContact C-O 3.59Å; A161-T331 WeakPolarHBondContact CA-O 3.16Å; A161-T331 WeakPolarHBondContact CB-O 3.35Å; A161-L332 HydrophobicContact CB-CD1 3.81Å
162G97.9Very high96.9Very high0 Ų044.8 Ų44.80%025%0.251CS..EExtended strand (participates in β ladder)trans-170.8147.8-176.800000113M154 W183 Y330 T331 A534M154-G162 VanDerWaalsContact O-CA 3.25Å; M154-G162 WeakPolarHBondContact O-CA 3.41Å; G162-W183 VanDerWaalsContact CA-CH2 3.48Å; G162-Y330 CarbonylContact O-C 3.56Å; G162-Y330 WeakPolarHBondContact O-CA 3.48Å; G162-Y330 WeakPolarHBondContact O-CB 3.26Å; G162-T331 VanDerWaalsContact N-CG2 3.32Å; G162-T331 PolarHBondContact N-O 3.31Å; G162-T331 WeakPolarHBondContact O-CG2 3.46Å; G162-T331 PolarHBondContact O-N 3.23Å; G162-A534 WeakPolarHBondContact O-CB 3.18Å
163A98.2Very high96.9Very high0 Ų044.6 Ų44.60%025%0.25CC..EExtended strand (participates in β ladder)trans-150.4153172.100000110R153 M154 F182 W183R153-A163 WeakPolarHBondContact CA-O 3.3Å; M154-A163 HydrophobicContact CE-CB 3.5Å; M154-A163 HydrophobicContact CG-CB 4.08Å; M154-A163 PolarHBondContact N-O 3.12Å; M154-A163 PolarHBondContact O-N 3.03Å; A163-F182 HydrophobicContact CB-CD2 3.75Å; A163-F182 HydrophobicContact CB-CE2 3.89Å; A163-W183 HydrophobicContact CB-CH2 4.33Å; A163-W183 HydrophobicContact CB-CZ3 4.11Å
164S97.7Very high96.9Very high2 Ų243.3 Ų43.31%0.01425%0.246CC..EExtended strand (participates in β ladder)trans-77.3150.517172.80000111.2F326 P327 D530S164-F326 WeakPolarHBondContact OG-CZ 3.3Å; S164-P327 WeakPolarHBondContact OG-CB 3.49Å; S164-D530 WeakPolarHBondContact CB-OD1 3.43Å; S164-D530 PolarHBondContact OG-OD1 3.17Å
165G97.3Very high97Very high6 Ų643.3 Ų43.36%0.06225%0.246CC..EExtended strand (participates in β ladder)trans-98.8148.2170.400000111.1A152 S178 F179A152-G165 PolarHBondContact O-N 2.68Å; G165-S178 WeakPolarHBondContact CA-O 3.48Å; G165-F179 VanDerWaalsContact CA-CE1 3.47Å
166K97.4Very high97.1Very high105 Ų10544.3 Ų44.346%0.45725%0.251SS..EExtended strand (participates in β ladder)trans-83.5126.4175.2-172.5-179.3175.5-175.60109.5V177 S178 F326K166-V177 CarbonylContact O-C 3.52Å; K166-V177 VanDerWaalsContact O-CA 3.3Å; K166-V177 WeakPolarHBondContact O-CA 3.25Å; K166-S178 PolarHBondContact N-O 3.38Å; K166-S178 PolarHBondContact O-N 3.44Å; K166-F326 HydrophobicContact CB-CD1 3.76Å; K166-F326 HydrophobicContact CB-CE1 3.91Å; K166-F326 HydrophobicContact CG-CD1 3.99Å; K166-F326 HydrophobicContact CG-CE1 4.36Å
167V97.8Very high97.2Very high47 Ų4744 Ų4429%0.28525%0.248SC..EExtended strand (participates in β ladder)trans-102.7126.8172.5-177.80000108.6L150 A152 Y175 V177L150-V167 HydrophobicContact CB-CG1 4.18Å; L150-V167 HydrophobicContact CB-CG2 4.17Å; L150-V167 HydrophobicContact CD1-CG1 3.95Å; A152-V167 HydrophobicContact CB-CG2 4Å; V167-Y175 HydrophobicContact CG1-CD1 4Å; V167-V177 HydrophobicContact CG2-CG2 4.33Å
168T97.8Very high97.4Very high48 Ų4840.2 Ų40.229%0.29422%0.224SC..EExtended strand (participates in β ladder)trans-119.3120.1173.9-50.30000108.4Y175 L176T168-Y175 CarbonylContact O-C 3.53Å; T168-Y175 VanDerWaalsContact O-CA 3.25Å; T168-Y175 WeakPolarHBondContact O-CA 3.4Å; T168-L176 PolarHBondContact N-O 3.23Å; T168-L176 PolarHBondContact O-N 2.89Å
169D97.9Very high97.5Very high45 Ų4535.6 Ų35.624%0.24119%0.186CC..EExtended strand (participates in β ladder)trans-89.6126.7179-171.9-6.2000110.6G146 G147 N171 Y175G146-D169 WeakPolarHBondContact CA-OD2 3.24Å; G147-D169 PolarHBondContact N-OD2 3.48Å; D169-N171 VanDerWaalsContact C-N 3.3Å; D169-N171 WeakPolarHBondContact OD1-CA 3.3Å; D169-N171 PolarHBondContact OD1-N 3.43Å; D169-N171 PolarHBondContact OD2-OD1 3.14Å; D169-Y175 HydrophobicContact CB-CD1 3.62Å; D169-Y175 HydrophobicContact CB-CE1 3.55Å; D169-Y175 WeakPolarHBondContact OD1-CE1 3.44Å; D169-Y175 WeakPolarHBondContact OD2-CE1 3.19Å
170F97.8Very high97.5Very high98 Ų9834.4 Ų34.443%0.4318%0.181SC..  trans-88.72.1175.4-61.8-56.6000113.3N172 T174 L176F170-N172 WeakPolarHBondContact CB-OD1 3.44Å; F170-N172 PolarHBondContact O-N 2.66Å; F170-N172 VanDerWaalsContact O-N 3.16Å; F170-T174 WeakPolarHBondContact CB-O 3.22Å; F170-T174 WeakPolarHBondContact CD2-OG1 3.3Å; F170-T174 PolarHBondContact N-O 2.86Å; F170-T174 VanDerWaalsContact N-O 3.08Å; F170-L176 HydrophobicContact CE2-CB 3.65Å; F170-L176 HydrophobicContact CZ-CB 3.55Å; F170-L176 HydrophobicContact CZ-CD2 4.31Å; F170-L176 HydrophobicContact CZ-CG 4.49Å
171N96.3Very high97.5Very high103 Ų10330.1 Ų30.155%0.55116%0.16SC*.SBendtrans59.720.3178-67.2-47.8000114.9D169D169-N171 VanDerWaalsContact C-N 3.3Å; D169-N171 WeakPolarHBondContact OD1-CA 3.3Å; D169-N171 PolarHBondContact OD1-N 3.43Å; D169-N171 PolarHBondContact OD2-OD1 3.14Å
172N96.8Very high97.4Very high66 Ų6631.2 Ų31.235%0.35317%0.165SC..SBendtrans-131.824-177.767.21.6000112.5R142 F170 T174R142-N172 PolarHBondContact NH2-O 3.27Å; F170-N172 WeakPolarHBondContact CB-OD1 3.44Å; F170-N172 PolarHBondContact O-N 2.66Å; F170-N172 VanDerWaalsContact O-N 3.16Å; N172-T174 VanDerWaalsContact C-N 3.33Å; N172-T174 PolarHBondContact OD1-N 3.21Å; N172-T174 VanDerWaalsContact OD1-N 3.17Å; N172-T174 PolarHBondContact OD1-OG1 3.32Å
173G97Very high97.3Very high0 Ų031.6 Ų31.60%017%0.166CC..SBendtrans77.814.2-175.900000114.3V135 K143 Y145V135-G173 VanDerWaalsContact CG2-O 3.28Å; V135-G173 WeakPolarHBondContact CG2-O 3.39Å; V135-G173 PolarHBondContact N-O 2.95Å; K143-G173 WeakPolarHBondContact O-CA 2.93Å; Y145-G173 WeakPolarHBondContact O-CA 3.43Å; Y145-G173 PolarHBondContact O-N 2.93Å
174T98.3Very high97.1Very high13 Ų1335.2 Ų35.28%0.0818%0.183CC..EExtended strand (participates in β ladder)trans-125.9149.7169.3730000111.8L133 E134 F170 N172L133-T174 CarbonylContact O-C 3.55Å; L133-T174 WeakPolarHBondContact O-CA 3.34Å; E134-T174 HydrophobicContact CB-CG2 4.5Å; E134-T174 HydrophobicContact CG-CG2 3.85Å; F170-T174 WeakPolarHBondContact CB-O 3.22Å; F170-T174 WeakPolarHBondContact CD2-OG1 3.3Å; F170-T174 PolarHBondContact N-O 2.86Å; F170-T174 VanDerWaalsContact N-O 3.08Å; N172-T174 VanDerWaalsContact C-N 3.33Å; N172-T174 PolarHBondContact OD1-N 3.21Å; N172-T174 VanDerWaalsContact OD1-N 3.17Å; N172-T174 PolarHBondContact OD1-OG1 3.32Å
175Y98.6Very high97Very high1 Ų136.2 Ų36.20%0.00419%0.193CC..EExtended strand (participates in β ladder)trans-132.9145.9179.7-54.9-104.6000109.9L133 V135 G146 G147 D148 L150 V167 T168 D169L133-Y175 HydrophobicContact CD2-CD2 3.81Å; L133-Y175 HydrophobicContact CD2-CG 4.25Å; L133-Y175 HydrophobicContact CG-CD2 4.37Å; L133-Y175 PolarHBondContact N-O 3.07Å; L133-Y175 PolarHBondContact O-N 3.34Å; V135-Y175 HydrophobicContact CB-CE2 4.34Å; V135-Y175 HydrophobicContact CG1-CD2 3.87Å; V135-Y175 HydrophobicContact CG1-CE2 3.57Å; V135-Y175 HydrophobicContact CG2-CE2 3.77Å; G146-Y175 WeakPolarHBondContact CA-OH 3.44Å; G147-Y175 PolarHBondContact N-OH 3.38Å; G147-Y175 VanDerWaalsContact N-OH 3.1Å; D148-Y175 VanDerWaalsContact CB-OH 3.23Å; D148-Y175 WeakPolarHBondContact CB-OH 3.25Å; D148-Y175 PolarHBondContact N-OH 3.32Å; D148-Y175 PolarHBondContact OD2-OH 3.03Å; L150-Y175 HydrophobicContact CD1-CD1 3.85Å; L150-Y175 HydrophobicContact CD1-CD2 4.13Å; L150-Y175 HydrophobicContact CD1-CE1 4.08Å; L150-Y175 HydrophobicContact CD1-CE2 4.34Å; L150-Y175 HydrophobicContact CD1-CG 3.9Å; V167-Y175 HydrophobicContact CG1-CD1 4Å; T168-Y175 CarbonylContact O-C 3.53Å; T168-Y175 VanDerWaalsContact O-CA 3.25Å; T168-Y175 WeakPolarHBondContact O-CA 3.4Å; D169-Y175 HydrophobicContact CB-CD1 3.62Å; D169-Y175 HydrophobicContact CB-CE1 3.55Å; D169-Y175 WeakPolarHBondContact OD1-CE1 3.44Å; D169-Y175 WeakPolarHBondContact OD2-CE1 3.19Å
176L98.5Very high96.9Very high36 Ų3642 Ų4219%0.18822%0.218CC..EExtended strand (participates in β ladder)trans-99.7118.3166.6-17768.4000109.3L117 D130 T168 F170L117-L176 HydrophobicContact CD1-CD1 3.93Å; D130-L176 HydrophobicContact CB-CD1 3.91Å; T168-L176 PolarHBondContact N-O 3.23Å; T168-L176 PolarHBondContact O-N 2.89Å; F170-L176 HydrophobicContact CE2-CB 3.65Å; F170-L176 HydrophobicContact CZ-CB 3.55Å; F170-L176 HydrophobicContact CZ-CD2 4.31Å; F170-L176 HydrophobicContact CZ-CG 4.49Å
177V98.1Very high96.8Very high0 Ų037 Ų370%020%0.197CC..EExtended strand (participates in β ladder)trans-104.9113.9173.5-175.70000108.8I131 A152 K166 V167 F179 L191I131-V177 HydrophobicContact CB-CB 4.23Å; I131-V177 PolarHBondContact N-O 2.9Å; I131-V177 PolarHBondContact O-N 3.17Å; A152-V177 HydrophobicContact CB-CG1 3.43Å; A152-V177 VanDerWaalsContact CB-CG1 3.43Å; K166-V177 CarbonylContact O-C 3.52Å; K166-V177 VanDerWaalsContact O-CA 3.3Å; K166-V177 WeakPolarHBondContact O-CA 3.25Å; V167-V177 HydrophobicContact CG2-CG2 4.33Å; V177-F179 HydrophobicContact CG1-CD2 4.43Å; V177-F179 HydrophobicContact CG1-CE2 3.71Å; V177-F179 HydrophobicContact CG1-CZ 3.92Å; V177-L191 HydrophobicContact CG1-CD1 4.43Å; V177-L191 HydrophobicContact CG2-CD1 4.04Å; V177-L191 HydrophobicContact CG2-CD2 4.02Å
178S97.9Very high96.7Very high22 Ų2237.5 Ų37.515%0.15420%0.202CC..EExtended strand (participates in β ladder)trans-111.6129.4-176.3-59.90000111.5D130 G165 K166D130-S178 WeakPolarHBondContact OD1-CA 3.24Å; D130-S178 WeakPolarHBondContact OD1-CB 3.41Å; D130-S178 PolarHBondContact OD1-OG 3.25Å; G165-S178 WeakPolarHBondContact CA-O 3.48Å; K166-S178 PolarHBondContact N-O 3.38Å; K166-S178 PolarHBondContact O-N 3.44Å
179F97.2Very high96.6Very high1 Ų136.2 Ų36.20%0.00419%0.194CC..EExtended strand (participates in β ladder)trans-113.3138.6171.9-63.1-80.2000110.7K128 L129 I131 A152 R153 M154 G165 V177 L189K128-F179 CarbonylContact C-O 3.58Å; K128-F179 VanDerWaalsContact CA-O 3.29Å; K128-F179 WeakPolarHBondContact CA-O 3.38Å; L129-F179 HydrophobicContact CB-CB 4.39Å; L129-F179 PolarHBondContact N-O 3.47Å; L129-F179 PolarHBondContact O-N 3.49Å; I131-F179 HydrophobicContact CD1-CD2 4.2Å; I131-F179 HydrophobicContact CD1-CE2 3.74Å; A152-F179 HydrophobicContact CB-CE1 4.01Å; A152-F179 HydrophobicContact CB-CZ 3.77Å; R153-F179 VanDerWaalsContact C-CE1 3.49Å; M154-F179 HydrophobicContact CB-CD1 3.78Å; M154-F179 HydrophobicContact CB-CE1 3.99Å; M154-F179 HydrophobicContact CB-CG 4.42Å; M154-F179 HydrophobicContact CG-CD1 3.84Å; M154-F179 HydrophobicContact CG-CE1 4.39Å; M154-F179 HydrophobicContact SD-CB 4.06Å; M154-F179 HydrophobicContact SD-CD1 4.26Å; M154-F179 HydrophobicContact SD-CG 4.48Å; G165-F179 VanDerWaalsContact CA-CE1 3.47Å; V177-F179 HydrophobicContact CG1-CD2 4.43Å; V177-F179 HydrophobicContact CG1-CE2 3.71Å; V177-F179 HydrophobicContact CG1-CZ 3.92Å; F179-L189 HydrophobicContact CD2-CD2 4.1Å; F179-L189 HydrophobicContact CE2-CD2 4.12Å; F179-L189 HydrophobicContact CG-CD2 4.4Å; F179-L189 HydrophobicContact CZ-CD2 4.44Å
180T95.9Very high96.5Very high37 Ų3735.4 Ų35.423%0.22719%0.192CC..EExtended strand (participates in β ladder)trans-95.6120.8166.6-58.60000108.4M154 F182M154-T180 WeakPolarHBondContact CE-O 3.37Å; T180-F182 HydrophobicContact CG2-CD1 4.06Å; T180-F182 HydrophobicContact CG2-CE1 3.63Å; T180-F182 HydrophobicContact CG2-CE2 4.31Å; T180-F182 HydrophobicContact CG2-CZ 3.77Å; T180-F182 WeakPolarHBondContact O-CD2 3.27Å; T180-F182 WeakPolarHBondContact O-CE2 3.48Å; T180-F182 PolarHBondContact O-N 2.8Å; T180-F182 VanDerWaalsContact O-N 3.1Å
181L95.9Very high96.4Very high0 Ų030.8 Ų30.80%017%0.171CC..  trans-79.193.3-174.3-55.9-176.3000111.5Y123 G126 D127 L129 M154 I187 V305Y123-L181 HydrophobicContact CD1-CD1 4.16Å; Y123-L181 HydrophobicContact CG-CD1 3.86Å; G126-L181 PolarHBondContact N-O 2.95Å; D127-L181 HydrophobicContact CB-CD1 4.21Å; D127-L181 PolarHBondContact O-N 3.32Å; L129-L181 HydrophobicContact CB-CD1 4.44Å; L129-L181 HydrophobicContact CB-CD2 4.02Å; L129-L181 HydrophobicContact CB-CG 4.36Å; M154-L181 HydrophobicContact SD-CD2 4.09Å; L181-I187 HydrophobicContact CD2-CD1 4.04Å; L181-V305 HydrophobicContact CB-CG1 4.32Å; L181-V305 HydrophobicContact CB-CG2 4.28Å; L181-V305 HydrophobicContact CD1-CG2 3.83Å; L181-V305 HydrophobicContact CG-CG2 4.43Å
182F94.8Very high96.5Very high26 Ų2627.3 Ų27.311%0.11415%0.153CC..  trans-82.3-20.1-168.9-71-65.5000116.2M154 A163 T180 P327 Y330 A339M154-F182 HydrophobicContact CE-CB 4.35Å; M154-F182 HydrophobicContact CE-CD2 3.53Å; M154-F182 HydrophobicContact CE-CE2 4.3Å; M154-F182 HydrophobicContact CE-CG 4.34Å; A163-F182 HydrophobicContact CB-CD2 3.75Å; A163-F182 HydrophobicContact CB-CE2 3.89Å; T180-F182 HydrophobicContact CG2-CD1 4.06Å; T180-F182 HydrophobicContact CG2-CE1 3.63Å; T180-F182 HydrophobicContact CG2-CE2 4.31Å; T180-F182 HydrophobicContact CG2-CZ 3.77Å; T180-F182 WeakPolarHBondContact O-CD2 3.27Å; T180-F182 WeakPolarHBondContact O-CE2 3.48Å; T180-F182 PolarHBondContact O-N 2.8Å; T180-F182 VanDerWaalsContact O-N 3.1Å; F182-P327 HydrophobicContact CE2-CG 3.6Å; F182-P327 HydrophobicContact CZ-CG 3.75Å; F182-Y330 HydrophobicContact CB-CD1 3.64Å; F182-Y330 HydrophobicContact CB-CD2 3.69Å; F182-Y330 HydrophobicContact CB-CE1 3.84Å; F182-Y330 HydrophobicContact CB-CE2 3.85Å; F182-Y330 HydrophobicContact CB-CG 3.57Å; F182-Y330 AromaticContact CD1-CD1 3.44Å; F182-Y330 HydrophobicContact CD1-CD1 3.44Å; F182-Y330 VanDerWaalsContact CD1-CD1 3.44Å; F182-Y330 AromaticContact CD1-CE1 3.59Å; F182-Y330 HydrophobicContact CD1-CE1 3.59Å; F182-Y330 HydrophobicContact CD1-CG 4.19Å; F182-Y330 AromaticContact CD2-CD1 3.81Å; F182-Y330 HydrophobicContact CD2-CD1 3.81Å; F182-Y330 AromaticContact CD2-CG 3.82Å; F182-Y330 HydrophobicContact CD2-CG 3.82Å; F182-Y330 AromaticContact CE1-CD1 3.97Å; F182-Y330 HydrophobicContact CE1-CD1 3.97Å; F182-Y330 HydrophobicContact CE1-CE1 4.31Å; F182-Y330 HydrophobicContact CE2-CD1 4.3Å; F182-Y330 AromaticContact CG-CD1 3.35Å; F182-Y330 HydrophobicContact CG-CD1 3.35Å; F182-Y330 HydrophobicContact CG-CD2 4.26Å; F182-Y330 AromaticContact CG-CE1 3.81Å; F182-Y330 HydrophobicContact CG-CE1 3.81Å; F182-Y330 AromaticContact CG-CG 3.61Å; F182-Y330 HydrophobicContact CG-CG 3.61Å; F182-Y330 HydrophobicContact CZ-CD1 4.37Å; F182-A339 HydrophobicContact CE1-CB 4.14Å; F182-A339 HydrophobicContact CZ-CB 4.3Å
183W95.3Very high96.5Very high7 Ų724.4 Ų24.43%0.02714%0.137CC..SBendtrans-141.4162.4-175.56383.5000111.6M154 S156 A161 G162 A163 I187 V305 Y330 L332M154-W183 HydrophobicContact CE-CE3 4.34Å; M154-W183 HydrophobicContact CE-CH2 3.59Å; M154-W183 HydrophobicContact CE-CZ2 4.38Å; M154-W183 HydrophobicContact CE-CZ3 3.57Å; M154-W183 HydrophobicContact CG-CH2 3.99Å; M154-W183 HydrophobicContact SD-CH2 4.27Å; S156-W183 PolarHBondContact OG-NE1 2.91Å; A161-W183 HydrophobicContact CB-CD2 3.7Å; A161-W183 VanDerWaalsContact CB-CE2 3.5Å; A161-W183 HydrophobicContact CB-CE3 4.06Å; A161-W183 HydrophobicContact CB-CG 4.24Å; A161-W183 HydrophobicContact CB-CH2 4.13Å; A161-W183 HydrophobicContact CB-CZ2 3.75Å; A161-W183 HydrophobicContact CB-CZ3 4.26Å; G162-W183 VanDerWaalsContact CA-CH2 3.48Å; A163-W183 HydrophobicContact CB-CH2 4.33Å; A163-W183 HydrophobicContact CB-CZ3 4.11Å; W183-I187 HydrophobicContact CZ2-CD1 4.47Å; W183-I187 HydrophobicContact CZ2-CG1 4.42Å; W183-V305 WeakPolarHBondContact O-CB 3.17Å; W183-V305 WeakPolarHBondContact O-CG1 3.35Å; W183-Y330 AromaticContact CE3-CD2 3.79Å; W183-Y330 HydrophobicContact CE3-CD2 3.79Å; W183-Y330 HydrophobicContact CE3-CE2 4.39Å; W183-Y330 HydrophobicContact CE3-CG 4.45Å; W183-Y330 HydrophobicContact CZ3-CD2 4.15Å; W183-Y330 HydrophobicContact CZ3-CG 4.47Å; W183-L332 HydrophobicContact CB-CD1 4.36Å; W183-L332 HydrophobicContact CG-CD1 4.49Å
184E95.3Very high96.6Very high77 Ų7724.6 Ų24.636%0.3614%0.138SC..SBendtrans-85.4153.3-179-66.5154.3-144.600111.7R125 V305 P307R125-E184 HydrophobicContact CB-CG 4.42Å; R125-E184 IonicContact CZ-OE1 2.69Å; R125-E184 IonicContact NH1-OE1 3.73Å; R125-E184 PolarHBondContact NH1-OE1 3.47Å; E184-V305 CarbonylContact C-O 3.52Å; E184-V305 WeakPolarHBondContact CA-O 3.38Å; E184-P307 HydrophobicContact CG-CB 4.46Å
185G95.1Very high96.6Very high22 Ų2224 Ų2423%0.22714%0.135CC..EExtended strand (participates in β ladder)trans101.2-170179.800000114I187 V305G185-I187 PolarHBondContact O-N 2.83Å; G185-V305 PolarHBondContact N-O 2.85Å; G185-V305 PolarHBondContact O-N 2.84Å; G185-V305 VanDerWaalsContact O-N 3.15Å
186Q95.2Very high96.5Very high127 Ų12724.3 Ų24.359%0.59314%0.136SC*.EExtended strand (participates in β ladder)trans-70.9128.2-178.1-72.2-172.8-13.600112.8S156 P302 V303 E304S156-Q186 WeakPolarHBondContact CB-O 3.4Å; S156-Q186 PolarHBondContact OG-O 2.65Å; Q186-P302 HydrophobicContact CB-CB 4.38Å; Q186-P302 HydrophobicContact CG-CB 4.49Å; Q186-V303 WeakPolarHBondContact CA-O 3.43Å; Q186-E304 WeakPolarHBondContact CG-OE2 3.49Å
187I95.3Very high96.5Very high0 Ų022.7 Ų22.70%013%0.128CC..EExtended strand (participates in β ladder)trans-113.9129.7178.6-61.5-179000110.1M154 L181 W183 G185 L189 P302 V303 V305M154-I187 HydrophobicContact CB-CG2 3.73Å; M154-I187 HydrophobicContact CG-CG2 4.43Å; M154-I187 HydrophobicContact SD-CD1 4.38Å; M154-I187 HydrophobicContact SD-CG2 4.25Å; L181-I187 HydrophobicContact CD2-CD1 4.04Å; W183-I187 HydrophobicContact CZ2-CD1 4.47Å; W183-I187 HydrophobicContact CZ2-CG1 4.42Å; G185-I187 PolarHBondContact O-N 2.83Å; I187-L189 HydrophobicContact CG2-CD2 3.96Å; I187-P302 WeakPolarHBondContact O-CA 3.36Å; I187-V303 HydrophobicContact CB-CB 4.4Å; I187-V303 PolarHBondContact N-O 3.03Å; I187-V303 PolarHBondContact O-N 3.23Å; I187-V305 HydrophobicContact CD1-CB 4.33Å; I187-V305 HydrophobicContact CD1-CG2 3.4Å; I187-V305 HydrophobicContact CG1-CG2 4.05Å
188S95.1Very high96.5Very high58 Ų5822.8 Ų22.841%0.40613%0.129SC..EExtended strand (participates in β ladder)trans-96.1134.8168-51.60000110.2M154 S155M154-S188 CarbonylContact C-O 3.5Å; M154-S188 WeakPolarHBondContact CA-O 2.84Å; S155-S188 PolarHBondContact N-O 2.94Å; S155-S188 PolarHBondContact O-N 3.19Å
189L95.5Very high96.5Very high21 Ų2121.7 Ų21.711%0.1112%0.121CC..EExtended strand (participates in β ladder)trans-103.5144.3178.5-51.4172.2000109.1L129 I131 M154 F179 I187 M297 V303L129-L189 HydrophobicContact CD2-CD1 3.55Å; L129-L189 HydrophobicContact CD2-CD2 4.07Å; L129-L189 HydrophobicContact CD2-CG 4.44Å; I131-L189 HydrophobicContact CD1-CD1 3.91Å; M154-L189 HydrophobicContact CB-CD2 3.72Å; F179-L189 HydrophobicContact CD2-CD2 4.1Å; F179-L189 HydrophobicContact CE2-CD2 4.12Å; F179-L189 HydrophobicContact CG-CD2 4.4Å; F179-L189 HydrophobicContact CZ-CD2 4.44Å; I187-L189 HydrophobicContact CG2-CD2 3.96Å; L189-M297 HydrophobicContact CB-CE 3.41Å; L189-M297 VanDerWaalsContact CB-CE 3.41Å; L189-M297 HydrophobicContact CB-SD 4.26Å; L189-M297 WeakPolarHBondContact O-CE 3.26Å; L189-V303 HydrophobicContact CD1-CG2 3.93Å; L189-V303 HydrophobicContact CG-CG2 4.48Å
190S95.7Very high96.5Very high29 Ų2922 Ų2220%0.20312%0.123CC..EExtended strand (participates in β ladder)trans-138.8138.4174.1171.80000110.1A152 R153 E295A152-S190 WeakPolarHBondContact CA-O 3.42Å; R153-S190 PolarHBondContact N-O 3.19Å; R153-S190 PolarHBondContact O-N 2.77Å; S190-E295 WeakPolarHBondContact CB-OE2 3.36Å; S190-E295 PolarHBondContact OG-OE2 3.11Å
191L97.3Very high96.6Very high0 Ų020.9 Ų20.90%012%0.117CC..EExtended strand (participates in β ladder)trans-140.4101.2-178179.460.5000108.2L133 L150 R151 A152 V177 E295 M296 M297L133-L191 HydrophobicContact CB-CD2 4.47Å; L133-L191 HydrophobicContact CD1-CD2 3.98Å; L133-L191 HydrophobicContact CD2-CD2 4.07Å; L133-L191 HydrophobicContact CG-CD2 4.4Å; L150-L191 HydrophobicContact CB-CD1 4.3Å; R151-L191 WeakPolarHBondContact O-CA 3.3Å; A152-L191 HydrophobicContact CB-CD1 3.97Å; V177-L191 HydrophobicContact CG1-CD1 4.43Å; V177-L191 HydrophobicContact CG2-CD1 4.04Å; V177-L191 HydrophobicContact CG2-CD2 4.02Å; L191-E295 PolarHBondContact N-OE1 3.49Å; L191-M296 HydrophobicContact CG-CB 4.41Å; L191-M296 HydrophobicContact CG-SD 4.41Å; L191-M296 WeakPolarHBondContact O-CB 3.38Å; L191-M296 WeakPolarHBondContact O-CG 3.48Å; L191-M296 PolarHBondContact O-N 2.78Å; L191-M297 HydrophobicContact CB-CE 3.64Å; L191-M297 HydrophobicContact CB-CG 3.9Å; L191-M297 HydrophobicContact CB-SD 3.97Å; L191-M297 HydrophobicContact CD2-CG 4.44Å
192L97.3Very high96.7Very high31 Ų3121 Ų2116%0.16212%0.117CC..EExtended strand (participates in β ladder)trans-93.8128.7-176.9-55.1179.4000110.4L150 R151 I194 E295L150-L192 CarbonylContact C-O 3.57Å; L150-L192 WeakPolarHBondContact CA-O 3.16Å; R151-L192 HydrophobicContact CB-CB 4.36Å; R151-L192 PolarHBondContact N-O 3.15Å; R151-L192 PolarHBondContact O-N 2Å; L192-I194 HydrophobicContact CB-CD1 3.88Å; L192-I194 HydrophobicContact CD1-CD1 4.29Å; L192-I194 PolarHBondContact O-N 2.68Å; L192-E295 HydrophobicContact CD2-CB 4.11Å; L192-E295 WeakPolarHBondContact CD2-OE2 3.47Å
193L98Very high96.8Very high5 Ų519.8 Ų19.83%0.02611%0.112CC..EExtended strand (participates in β ladder)trans-74.795.7159.5-179.162.5000108T107 A109 D148 L150 G293 V294 M296T107-L193 HydrophobicContact CG2-CD1 4.14Å; T107-L193 HydrophobicContact CG2-CD2 3.91Å; T107-L193 WeakPolarHBondContact O-CD2 3.47Å; A109-L193 HydrophobicContact CB-CB 4.3Å; A109-L193 HydrophobicContact CB-CD2 4.14Å; D148-L193 HydrophobicContact CB-CD1 4Å; L150-L193 HydrophobicContact CD2-CB 4.33Å; L150-L193 HydrophobicContact CD2-CD1 3.61Å; L193-G293 CarbonylContact O-C 3.53Å; L193-G293 WeakPolarHBondContact O-CA 3.45Å; L193-G293 PolarHBondContact O-N 3.3Å; L193-V294 PolarHBondContact N-O 3.03Å; L193-V294 PolarHBondContact O-N 3.43Å; L193-M296 HydrophobicContact CB-CG 3.97Å; L193-M296 HydrophobicContact CB-SD 3.8Å
194I97.7Very high97Very high4 Ų419.9 Ų19.92%0.02111%0.113CC..EExtended strand (participates in β ladder)trans-70.5-53.6177.9-54.6-63.8000109F149 R151 L192 I292 G293F149-I194 HydrophobicContact CD1-CB 3.57Å; F149-I194 HydrophobicContact CD1-CG1 4.15Å; F149-I194 HydrophobicContact CD1-CG2 3.57Å; F149-I194 HydrophobicContact CE1-CB 4.11Å; F149-I194 HydrophobicContact CE1-CG1 4.3Å; F149-I194 HydrophobicContact CE1-CG2 3.88Å; F149-I194 HydrophobicContact CG-CB 4.4Å; F149-I194 WeakPolarHBondContact O-CA 3.21Å; F149-I194 VanDerWaalsContact O-CB 3.24Å; F149-I194 WeakPolarHBondContact O-CB 3.49Å; F149-I194 PolarHBondContact O-N 3.16Å; R151-I194 HydrophobicContact CB-CD1 3.9Å; R151-I194 HydrophobicContact CB-CG1 3.79Å; L192-I194 HydrophobicContact CB-CD1 3.88Å; L192-I194 HydrophobicContact CD1-CD1 4.29Å; L192-I194 PolarHBondContact O-N 2.68Å; I194-I292 HydrophobicContact CG2-CG2 4.41Å; I194-I292 WeakPolarHBondContact O-CG2 3.48Å; I194-G293 PolarHBondContact O-N 2.89Å
195H98Very high97Very high1 Ų121 Ų211%0.00511%0.113CC..EExtended strand (participates in β ladder)trans-141.3139.2173.4-60.9-49.1000110.9F149 V200 F287 S503F149-H195 HydrophobicContact CB-CB 4.27Å; F149-H195 PolarHBondContact N-O 3.1Å; F149-H195 PolarHBondContact O-N 3.2Å; H195-V200 HydrophobicContact CB-CG2 3.82Å; H195-F287 AromaticContact CE1-CD1 3.81Å; H195-F287 AromaticContact ND1-CD1 3.71Å; H195-F287 AromaticContact ND1-CE1 3.74Å; H195-S503 PolarHBondContact CD2-OG 2.84Å; H195-S503 VanDerWaalsContact CD2-OG 3.25Å; H195-S503 PolarHBondContact NE2-OG 3.42Å
196P98Very high97Very high6 Ų619.9 Ų19.94%0.03910%0.103CC..  trans-66.5155.9169.732.1-36.8000110.5D148 E198 G199 V200 L286D148-P196 WeakPolarHBondContact OD1-CA 3.09Å; P196-E198 PolarHBondContact O-N 3.32Å; P196-E198 VanDerWaalsContact O-N 3.07Å; P196-G199 CarbonylContact O-C 3.56Å; P196-G199 WeakPolarHBondContact O-CA 3.42Å; P196-G199 PolarHBondContact O-N 3.2Å; P196-V200 PolarHBondContact O-N 3.21Å; P196-L286 HydrophobicContact CG-CD1 4.2Å; P196-L286 HydrophobicContact CG-CD2 4.39Å
197S98Very high97.1Very high3 Ų314 Ų142%0.0218%0.075CC..Hα-helixtrans-52.7-32.2-177.260.20000114.9K143 Y145 G146 G147 D148 V200 S201K143-S197 PolarHBondContact NZ-OG 3.05Å; Y145-S197 VanDerWaalsContact CE2-OG 3.31Å; Y145-S197 WeakPolarHBondContact CE2-OG 3.13Å; G146-S197 VanDerWaalsContact O-CB 3.24Å; G146-S197 WeakPolarHBondContact O-CB 3.37Å; G147-S197 VanDerWaalsContact O-CA 3.31Å; G147-S197 WeakPolarHBondContact O-CA 3.39Å; D148-S197 PolarHBondContact OD1-N 3.1Å; S197-V200 PolarHBondContact O-N 2.97Å; S197-S201 WeakPolarHBondContact O-CB 3.5Å; S197-S201 PolarHBondContact O-N 3.16Å
198E98.1Very high97Very high1 Ų116.1 Ų16.11%0.0059%0.086CC..Hα-helixtrans-69.8-42.4177.1-60.884.5163.900110.6R98 F100 T106 K143 Y145 P196 S201 A202 L286R98-E198 HydrophobicContact CB-CG 4.25Å; F100-E198 HydrophobicContact CB-CB 4.49Å; F100-E198 HydrophobicContact CB-CG 4.08Å; F100-E198 HydrophobicContact CD1-CB 3.65Å; F100-E198 HydrophobicContact CD1-CG 4.18Å; F100-E198 HydrophobicContact CE1-CB 4.16Å; F100-E198 HydrophobicContact CG-CB 4.2Å; F100-E198 HydrophobicContact CG-CG 4.31Å; T106-E198 WeakPolarHBondContact CA-OE1 3.47Å; T106-E198 HydrophobicContact CG2-CB 3.97Å; T106-E198 HydrophobicContact CG2-CG 3.88Å; K143-E198 VanDerWaalsContact NZ-CD 3.26Å; K143-E198 IonicContact NZ-OE1 3.62Å; K143-E198 PolarHBondContact NZ-OE1 2.86Å; K143-E198 IonicContact NZ-OE2 2.61Å; K143-E198 PolarHBondContact NZ-OE2 3.41Å; Y145-E198 PolarHBondContact OH-OE1 3.16Å; P196-E198 PolarHBondContact O-N 3.32Å; P196-E198 VanDerWaalsContact O-N 3.07Å; E198-S201 PolarHBondContact O-N 2.91Å; E198-A202 WeakPolarHBondContact O-CB 3.45Å; E198-A202 PolarHBondContact O-N 3.44Å; E198-L286 HydrophobicContact CB-CD1 4.22Å
199G97.8Very high96.9Very high0 Ų019.3 Ų19.30%010%0.095CC..Hα-helixtrans-66.9-41.2172.800000111.8P196 S201 A202 L203 F287P196-G199 CarbonylContact O-C 3.56Å; P196-G199 WeakPolarHBondContact O-CA 3.42Å; P196-G199 PolarHBondContact O-N 3.2Å; G199-S201 PolarHBondContact O-N 3.01Å; G199-A202 PolarHBondContact O-N 2.93Å; G199-L203 WeakPolarHBondContact O-CB 3.02Å; G199-L203 VanDerWaalsContact O-CG 3.3Å; G199-L203 WeakPolarHBondContact O-CG 3.11Å; G199-L203 PolarHBondContact O-N 3.31Å; G199-F287 WeakPolarHBondContact O-CZ 3.44Å
200V98.3Very high96.1Very high7 Ų719.4 Ų19.44%0.04210%0.101CC..Hα-helixtrans-58.2-48.9174.6172.70000111I95 F149 H195 P196 S197 A202 L203 W204 F505I95-V200 HydrophobicContact CG2-CG1 4.01Å; F149-V200 HydrophobicContact CB-CG2 3.53Å; H195-V200 HydrophobicContact CB-CG2 3.82Å; P196-V200 PolarHBondContact O-N 3.21Å; S197-V200 PolarHBondContact O-N 2.97Å; V200-A202 PolarHBondContact O-N 2.59Å; V200-L203 PolarHBondContact O-N 3.38Å; V200-W204 WeakPolarHBondContact O-CB 3.02Å; V200-W204 PolarHBondContact O-N 3.31Å; V200-F505 HydrophobicContact CG1-CD2 3.89Å; V200-F505 HydrophobicContact CG1-CE1 4.25Å; V200-F505 HydrophobicContact CG1-CE2 3.39Å; V200-F505 HydrophobicContact CG1-CZ 3.59Å
201S98Very high95.4Very high13 Ų1319.5 Ų19.59%0.09110%0.101CC..Hα-helixtrans-60.1-44176.8-166.90000112.1P96 P97 R98 S197 E198 G199 W204 R205P96-S201 PolarHBondContact O-OG 3.01Å; P97-S201 VanDerWaalsContact CA-OG 3.23Å; P97-S201 WeakPolarHBondContact CA-OG 2.92Å; R98-S201 PolarHBondContact N-OG 2.81Å; S197-S201 WeakPolarHBondContact O-CB 3.5Å; S197-S201 PolarHBondContact O-N 3.16Å; E198-S201 PolarHBondContact O-N 2.91Å; G199-S201 PolarHBondContact O-N 3.01Å; S201-W204 PolarHBondContact O-N 3.2Å; S201-R205 PolarHBondContact O-N 2.92Å
202A97.6Very high94.7Very high2 Ų223.3 Ų23.32%0.01712%0.122CC..Hα-helixtrans-62.6-45176.200000112.5E198 G199 V200 W204 R205 A206 L279 E283E198-A202 WeakPolarHBondContact O-CB 3.45Å; E198-A202 PolarHBondContact O-N 3.44Å; G199-A202 PolarHBondContact O-N 2.93Å; V200-A202 PolarHBondContact O-N 2.59Å; A202-W204 VanDerWaalsContact C-N 3.33Å; A202-W204 PolarHBondContact O-N 3.21Å; A202-R205 PolarHBondContact O-N 2.98Å; A202-A206 WeakPolarHBondContact O-CB 2.88Å; A202-A206 PolarHBondContact O-N 3.11Å; A202-L279 HydrophobicContact CB-CD2 3.8Å; A202-E283 HydrophobicContact CB-CB 4.08Å; A202-E283 HydrophobicContact CB-CG 3.69Å; A202-E283 VanDerWaalsContact CB-OE1 3.28Å; A202-E283 WeakPolarHBondContact CB-OE1 3.5Å
203L97.3Very high94.4Very high1 Ų122.5 Ų22.51%0.00512%0.117CC..Hα-helixtrans-60.9-42.3175.8-72.5178.4000111.7G199 V200 R207 F287 E500 F505G199-L203 WeakPolarHBondContact O-CB 3.02Å; G199-L203 VanDerWaalsContact O-CG 3.3Å; G199-L203 WeakPolarHBondContact O-CG 3.11Å; G199-L203 PolarHBondContact O-N 3.31Å; V200-L203 PolarHBondContact O-N 3.38Å; L203-R207 VanDerWaalsContact O-CB 3.3Å; L203-R207 WeakPolarHBondContact O-CB 3.41Å; L203-R207 PolarHBondContact O-N 2.9Å; L203-F287 HydrophobicContact CD1-CE1 3.68Å; L203-F287 HydrophobicContact CD1-CZ 4.09Å; L203-F287 HydrophobicContact CD2-CE1 3.87Å; L203-F287 HydrophobicContact CD2-CE2 4.16Å; L203-F287 HydrophobicContact CD2-CZ 3.68Å; L203-F287 HydrophobicContact CG-CE1 3.66Å; L203-F287 HydrophobicContact CG-CE2 4.42Å; L203-F287 HydrophobicContact CG-CZ 3.52Å; L203-E500 HydrophobicContact CD2-CB 4.44Å; L203-F505 HydrophobicContact CB-CD1 3.98Å; L203-F505 HydrophobicContact CB-CE1 4.16Å; L203-F505 HydrophobicContact CD1-CB 4.45Å; L203-F505 HydrophobicContact CD1-CD1 4.14Å
204W97.8Very high94.1Very high10 Ų1022.9 Ų22.94%0.03812%0.119CC..Hα-helixtrans-63-51.3179-177-116.7000111.8L91 D92 I95 V200 S201 A202 A206 R207 N208 I459 F505 I509L91-W204 HydrophobicContact CB-CH2 3.9Å; L91-W204 HydrophobicContact CB-CZ2 3.65Å; L91-W204 HydrophobicContact CD1-CH2 3.88Å; L91-W204 HydrophobicContact CD1-CZ2 4.39Å; L91-W204 HydrophobicContact CG-CH2 4.43Å; D92-W204 PolarHBondContact OD1-NE1 3.4Å; I95-W204 HydrophobicContact CB-CG 4.18Å; I95-W204 HydrophobicContact CD1-CD2 3.67Å; I95-W204 HydrophobicContact CD1-CE3 3.88Å; I95-W204 HydrophobicContact CD1-CG 4.05Å; I95-W204 HydrophobicContact CD1-CH2 4.4Å; I95-W204 HydrophobicContact CD1-CZ2 4.26Å; I95-W204 HydrophobicContact CD1-CZ3 4.25Å; I95-W204 HydrophobicContact CG2-CB 3.7Å; I95-W204 HydrophobicContact CG2-CG 3.76Å; V200-W204 WeakPolarHBondContact O-CB 3.02Å; V200-W204 PolarHBondContact O-N 3.31Å; S201-W204 PolarHBondContact O-N 3.2Å; A202-W204 VanDerWaalsContact C-N 3.33Å; A202-W204 PolarHBondContact O-N 3.21Å; W204-A206 PolarHBondContact O-N 3.41Å; W204-R207 PolarHBondContact O-N 3.24Å; W204-N208 WeakPolarHBondContact CZ2-ND2 3.49Å; W204-N208 PolarHBondContact O-N 3.35Å; W204-N208 VanDerWaalsContact O-N 3.15Å; W204-N208 PolarHBondContact O-ND2 3.26Å; W204-I459 HydrophobicContact CH2-CB 4.08Å; W204-I459 HydrophobicContact CH2-CG1 4.17Å; W204-I459 HydrophobicContact CH2-CG2 3.58Å; W204-I459 HydrophobicContact CZ2-CG2 4.26Å; W204-I459 HydrophobicContact CZ3-CB 4.18Å; W204-I459 HydrophobicContact CZ3-CG1 4.32Å; W204-I459 HydrophobicContact CZ3-CG2 4.13Å; W204-F505 HydrophobicContact CB-CE1 4.12Å; W204-F505 HydrophobicContact CB-CZ 4.21Å; W204-F505 HydrophobicContact CE3-CE1 4.27Å; W204-F505 HydrophobicContact CE3-CZ 4.2Å; W204-I509 HydrophobicContact CH2-CG2 4.18Å; W204-I509 HydrophobicContact CZ3-CG1 4.46Å; W204-I509 HydrophobicContact CZ3-CG2 3.89Å
205R96.5Very high93.9Very high99 Ų9924.3 Ų24.337%0.37413%0.126SC..Hα-helixtrans-57.5-50.5174.3-179.9-172.658.167.65111.5S201 A202 R207 N208 Q209 C278 E283S201-R205 PolarHBondContact O-N 2.92Å; A202-R205 PolarHBondContact O-N 2.98Å; R205-R207 VanDerWaalsContact C-N 3.28Å; R205-R207 PolarHBondContact O-N 2.94Å; R205-N208 PolarHBondContact O-N 3.24Å; R205-Q209 WeakPolarHBondContact O-CB 3.48Å; R205-Q209 PolarHBondContact O-N 2.97Å; R205-C278 PolarHBondContact NH1-O 3.36Å; R205-C278 PolarHBondContact NH2-O 2.86Å; R205-E283 IonicContact CZ-OE1 3.03Å; R205-E283 IonicContact CZ-OE2 2.74Å; R205-E283 IonicContact NE-OE1 2.74Å; R205-E283 IonicContact NH2-OE1 3.61Å; R205-E283 PolarHBondContact NH2-OE1 3.13Å; R205-E283 IonicContact NH2-OE2 3.95Å; R205-E283 PolarHBondContact NH2-OE2 3.4Å
206A95.6Very high93.9Very high0 Ų024.4 Ų24.40%013%0.126CC..Hα-helixtrans-61.4-33.7-178.300000113.2A202 W204 K213 C278 L279A202-A206 WeakPolarHBondContact O-CB 2.88Å; A202-A206 PolarHBondContact O-N 3.11Å; W204-A206 PolarHBondContact O-N 3.41Å; A206-K213 PolarHBondContact O-NZ 3.5Å; A206-C278 HydrophobicContact CB-CB 3.66Å; A206-C278 PolarHBondContact O-SG 3.49Å; A206-L279 HydrophobicContact CB-CD2 3.69Å; A206-L279 HydrophobicContact CB-CG 4.11Å
207R95.4Very high93.9Very high4 Ų425.2 Ų25.22%0.01513%0.13CC..Hα-helixtrans-68.7-47.8175.3178.9179-177175.16.9111.3L203 W204 R205 G210 F454 R455 F457 I459 H506 Q510L203-R207 VanDerWaalsContact O-CB 3.3Å; L203-R207 WeakPolarHBondContact O-CB 3.41Å; L203-R207 PolarHBondContact O-N 2.9Å; W204-R207 PolarHBondContact O-N 3.24Å; R205-R207 VanDerWaalsContact C-N 3.28Å; R205-R207 PolarHBondContact O-N 2.94Å; R207-G210 PolarHBondContact O-N 3.35Å; R207-F454 PolarHBondContact NH2-O 2.94Å; R207-R455 PolarHBondContact NE-O 3.36Å; R207-F457 VanDerWaalsContact CG-O 3.3Å; R207-F457 WeakPolarHBondContact CG-O 3.41Å; R207-F457 PolarHBondContact NE-O 3.11Å; R207-I459 VanDerWaalsContact NH2-CD1 3.29Å; R207-H506 WeakPolarHBondContact CD-ND1 2.99Å; R207-H506 PolarHBondContact NH1-O 3.32Å; R207-Q510 VanDerWaalsContact NH2-NE2 3.14Å
208N95.1Very high93.9Very high44 Ų4425 Ų2524%0.23513%0.129CC..Hα-helixtrans-82.1-19.7-171.1-65.9-27.4000113.6W204 R205 G210 I459W204-N208 WeakPolarHBondContact CZ2-ND2 3.49Å; W204-N208 PolarHBondContact O-N 3.35Å; W204-N208 VanDerWaalsContact O-N 3.15Å; W204-N208 PolarHBondContact O-ND2 3.26Å; R205-N208 PolarHBondContact O-N 3.24Å; N208-G210 VanDerWaalsContact C-N 3.25Å; N208-G210 PolarHBondContact O-N 2.89Å; N208-I459 VanDerWaalsContact OD1-CG2 3.3Å; N208-I459 WeakPolarHBondContact OD1-CG2 3.34Å; N208-I459 PolarHBondContact OD1-N 2.77Å
209Q91.3Very high93.8Very high124 Ų12425.6 Ų25.658%0.57913%0.132SC*.Hα-helixtrans-65.8-27.5168.7-173.9175.2-1.600112.7R205R205-Q209 WeakPolarHBondContact O-CB 3.48Å; R205-Q209 PolarHBondContact O-N 2.97Å
210G78.7Confident93.8Very high24 Ų2425.6 Ų25.625%0.24713%0.132CC..THydrogen-bonded Turntrans68.955.6171.900000115.7R207 N208 D212R207-G210 PolarHBondContact O-N 3.35Å; N208-G210 VanDerWaalsContact C-N 3.25Å; N208-G210 PolarHBondContact O-N 2.89Å; G210-D212 PolarHBondContact O-N 3.29Å
211C81.3Confident93.6Very high30 Ų3026.6 Ų26.620%0.20314%0.141CC..  trans-7635.4-178.5-44.20000115.8K213 I276 C278C211-K213 PolarHBondContact O-N 3.2Å; C211-I276 HydrophobicContact CB-CG2 4.08Å; C211-C278 HydrophobicContact CB-CB 4.32Å; C211-C278 WeakPolarHBondContact CB-SG 3.27Å; C211-C278 WeakPolarHBondContact SG-CB 3.42Å; C211-C278 CovalentContact SG-SG 2Å; C211-C278 PolarHBondContact SG-SG 3.19Å
212D83.4Confident93.2Very high81 Ų8129.2 Ų29.243%0.43315%0.154SC..  trans44.442.4172.5-64-32.8000115.2G210 I214 R274G210-D212 PolarHBondContact O-N 3.29Å; D212-I214 PolarHBondContact O-N 3.43Å; D212-R274 VanDerWaalsContact O-CD 3.26Å; D212-R274 WeakPolarHBondContact O-CD 3.18Å
213K89.9Confident92.5Very high13 Ų1341.3 Ų41.36%0.05720%0.199CC..  trans-63.2-24.8-175.7-66.7166.2-177.9155.60112.9A206 C211 T273 R274 C278 E500 M501A206-K213 PolarHBondContact O-NZ 3.5Å; C211-K213 PolarHBondContact O-N 3.2Å; K213-T273 CarbonylContact O-C 3.55Å; K213-T273 WeakPolarHBondContact O-CA 3.27Å; K213-R274 PolarHBondContact O-N 3.38Å; K213-C278 VanDerWaalsContact CE-SG 3.58Å; K213-C278 PolarHBondContact NZ-SG 3.43Å; K213-E500 VanDerWaalsContact CE-CD 3.4Å; K213-E500 WeakPolarHBondContact CE-OE1 3.31Å; K213-E500 IonicContact NZ-OE1 3.34Å; K213-E500 PolarHBondContact NZ-OE1 3.47Å; K213-M501 HydrophobicContact CB-SD 4.03Å; K213-M501 HydrophobicContact CD-CG 3.97Å
214I93.4Very high92Very high13 Ų1347.5 Ų47.57%0.06724%0.238CC..EExtended strand (participates in β ladder)trans-110.4117.6179-56.3-59.1000108.8D212 F216 T271 V418 P456 F457 M501D212-I214 PolarHBondContact O-N 3.43Å; I214-F216 HydrophobicContact CG2-CD2 4.49Å; I214-F216 HydrophobicContact CG2-CE2 4.12Å; I214-F216 HydrophobicContact CG2-CZ 4.3Å; I214-T271 HydrophobicContact CG2-CG2 3.95Å; I214-V418 HydrophobicContact CD1-CG1 4.18Å; I214-V418 HydrophobicContact CG2-CG2 4.34Å; I214-P456 HydrophobicContact CD1-CB 4.34Å; I214-P456 HydrophobicContact CG1-CB 3.79Å; I214-P456 HydrophobicContact CG1-CG 4.3Å; I214-F457 HydrophobicContact CB-CE1 4.21Å; I214-F457 HydrophobicContact CB-CZ 3.83Å; I214-F457 HydrophobicContact CG1-CE2 4.5Å; I214-F457 HydrophobicContact CG1-CZ 4.05Å; I214-F457 HydrophobicContact CG2-CZ 4.01Å; I214-M501 HydrophobicContact CD1-SD 3.81Å
215I93.6Very high91.6Very high35 Ų3549.3 Ų49.318%0.17925%0.252CS..EExtended strand (participates in β ladder)trans-88.5130.9167.8-48.3-166.9000108.3I217 E230 T271 R272 R274I215-I217 HydrophobicContact CG2-CG1 4.02Å; I215-E230 HydrophobicContact CG2-CG 3.89Å; I215-T271 CarbonylContact O-C 3.58Å; I215-T271 WeakPolarHBondContact O-CA 3.45Å; I215-T271 WeakPolarHBondContact O-CB 3.13Å; I215-R272 PolarHBondContact N-O 3.32Å; I215-R272 PolarHBondContact O-N 3.04Å; I215-R274 HydrophobicContact CD1-CG 3.53Å; I215-R274 HydrophobicContact CG1-CG 3.32Å
216F97.3Very high91.6Very high2 Ų249.7 Ų49.71%0.00926%0.261CS..EExtended strand (participates in β ladder)trans-93.1140.7162-59.8-100.9000109.2I214 C231 F253 V269 T270 T271 P416 F457I214-F216 HydrophobicContact CG2-CD2 4.49Å; I214-F216 HydrophobicContact CG2-CE2 4.12Å; I214-F216 HydrophobicContact CG2-CZ 4.3Å; F216-C231 HydrophobicContact CB-CB 3.84Å; F216-C231 WeakPolarHBondContact CB-O 3.49Å; F216-C231 PolarHBondContact N-O 3.15Å; F216-C231 PolarHBondContact O-N 2.66Å; F216-F253 HydrophobicContact CB-CE2 4.11Å; F216-F253 HydrophobicContact CB-CZ 3.77Å; F216-F253 HydrophobicContact CD1-CE2 4.01Å; F216-F253 HydrophobicContact CD1-CZ 4.07Å; F216-F253 HydrophobicContact CD2-CE2 4.14Å; F216-F253 HydrophobicContact CE1-CE2 4.5Å; F216-F253 AromaticContact CG-CE2 3.83Å; F216-F253 HydrophobicContact CG-CE2 3.83Å; F216-F253 AromaticContact CG-CZ 3.92Å; F216-F253 HydrophobicContact CG-CZ 3.92Å; F216-V269 HydrophobicContact CB-CG1 4.13Å; F216-V269 HydrophobicContact CD1-CG1 3.92Å; F216-T270 CarbonylContact C-O 3.55Å; F216-T270 WeakPolarHBondContact CA-O 3.49Å; F216-T271 HydrophobicContact CD1-CG2 3.42Å; F216-T271 VanDerWaalsContact CD1-CG2 3.42Å; F216-T271 HydrophobicContact CE1-CG2 3.57Å; F216-T271 HydrophobicContact CG-CG2 4.07Å; F216-T271 HydrophobicContact CZ-CG2 4.33Å; F216-P416 HydrophobicContact CZ-CB 3.92Å; F216-F457 AromaticContact CE2-CE1 3.83Å; F216-F457 HydrophobicContact CE2-CE1 3.83Å; F216-F457 AromaticContact CE2-CZ 3.68Å; F216-F457 HydrophobicContact CE2-CZ 3.68Å; F216-F457 HydrophobicContact CZ-CE1 4.16Å; F216-F457 HydrophobicContact CZ-CE2 4.48Å; F216-F457 AromaticContact CZ-CZ 3.58Å; F216-F457 HydrophobicContact CZ-CZ 3.58Å
217I97.9Very high91.6Very high23 Ų2352.2 Ų52.212%0.11828%0.276CS..EExtended strand (participates in β ladder)trans-124113.6177.3-53178.9000107.1I215 F228 T229 V269 T270 R272I215-I217 HydrophobicContact CG2-CG1 4.02Å; I217-F228 HydrophobicContact CG2-CB 3.87Å; I217-F228 HydrophobicContact CG2-CD1 3.8Å; I217-F228 HydrophobicContact CG2-CG 4.28Å; I217-T229 CarbonylContact C-O 3.57Å; I217-T229 WeakPolarHBondContact CA-O 3.41Å; I217-V269 CarbonylContact O-C 3.32Å; I217-V269 WeakPolarHBondContact O-CA 3.26Å; I217-T270 HydrophobicContact CB-CG2 4.04Å; I217-T270 PolarHBondContact N-O 3.11Å; I217-T270 PolarHBondContact O-N 3.43Å; I217-R272 HydrophobicContact CD1-CB 4.48Å; I217-R272 HydrophobicContact CD1-CG 3.74Å
218G97.5Very high91.7Very high0 Ų057.7 Ų57.70%030%0.3CS..EExtended strand (participates in β ladder)trans-86.8139.1176.800000111.1F228 T229 C231 H268G218-F228 CarbonylContact O-C 3.33Å; G218-F228 VanDerWaalsContact O-CA 3.24Å; G218-F228 WeakPolarHBondContact O-CA 3.49Å; G218-T229 PolarHBondContact N-O 2.91Å; G218-T229 PolarHBondContact O-N 2.94Å; G218-C231 VanDerWaalsContact CA-SG 3.55Å; G218-C231 PolarHBondContact N-SG 3.2Å; G218-C231 VanDerWaalsContact N-SG 3.38Å; G218-H268 CarbonylContact C-O 3.57Å; G218-H268 WeakPolarHBondContact CA-O 3.36Å
219L97.1Very high91.7Very high13 Ų1356.6 Ų56.67%0.06830%0.295CS..EExtended strand (participates in β ladder)trans-102.6111.4170.6171.258.6000109.1N226 F228 T267 H268 L422L219-N226 HydrophobicContact CD1-CB 3.73Å; L219-F228 HydrophobicContact CB-CD1 4.01Å; L219-F228 HydrophobicContact CB-CE1 3.7Å; L219-F228 HydrophobicContact CB-CZ 4.31Å; L219-F228 HydrophobicContact CD1-CD1 4.31Å; L219-F228 HydrophobicContact CD1-CD2 4.3Å; L219-F228 HydrophobicContact CD1-CE1 3.99Å; L219-F228 HydrophobicContact CD1-CE2 3.95Å; L219-F228 HydrophobicContact CD1-CG 4.48Å; L219-F228 HydrophobicContact CD1-CZ 3.79Å; L219-F228 HydrophobicContact CD2-CE1 4.33Å; L219-F228 HydrophobicContact CD2-CZ 4.2Å; L219-F228 HydrophobicContact CG-CE1 4.21Å; L219-F228 HydrophobicContact CG-CZ 4.31Å; L219-T267 PolarHBondContact O-N 2.93Å; L219-T267 PolarHBondContact O-OG1 3.5Å; L219-T267 VanDerWaalsContact O-OG1 3.06Å; L219-H268 HydrophobicContact CB-CB 4.12Å; L219-H268 HydrophobicContact CD2-CB 4.31Å; L219-H268 PolarHBondContact N-O 2.03Å; L219-H268 PolarHBondContact O-N 2.81Å; L219-L422 HydrophobicContact CD2-CD2 3.95Å
220F97.3Very high92Very high0 Ų054.1 Ų54.10%028%0.284CS..EExtended strand (participates in β ladder)trans-93.7125.8171.1-67.5-103.1000108.8N226 V227 T229 Y244 C255 P258 M261 S265 L266F220-N226 WeakPolarHBondContact O-CA 3.48Å; F220-V227 PolarHBondContact N-O 3.45Å; F220-V227 PolarHBondContact O-N 2.94Å; F220-T229 WeakPolarHBondContact CE2-OG1 3.25Å; F220-Y244 WeakPolarHBondContact CE1-OH 3.2Å; F220-C255 HydrophobicContact CE2-CB 3.95Å; F220-C255 HydrophobicContact CZ-CB 3.67Å; F220-P258 HydrophobicContact CB-CG 3.95Å; F220-P258 HydrophobicContact CD1-CG 3.72Å; F220-P258 HydrophobicContact CD2-CG 4.02Å; F220-P258 HydrophobicContact CE1-CG 4.19Å; F220-P258 HydrophobicContact CE2-CG 4.49Å; F220-P258 HydrophobicContact CG-CG 3.63Å; F220-M261 HydrophobicContact CB-SD 3.62Å; F220-S265 CarbonylContact C-O 3.58Å; F220-S265 VanDerWaalsContact CA-O 3.29Å; F220-S265 WeakPolarHBondContact CA-O 3.16Å; F220-S265 WeakPolarHBondContact CD1-OG 3.39Å; F220-L266 HydrophobicContact CD1-CB 4.03Å; F220-L266 HydrophobicContact CD2-CD1 4.15Å; F220-L266 HydrophobicContact CE1-CB 3.67Å; F220-L266 HydrophobicContact CE1-CD1 4.47Å; F220-L266 HydrophobicContact CE2-CB 4.49Å; F220-L266 HydrophobicContact CE2-CD1 3.77Å; F220-L266 HydrophobicContact CZ-CB 3.92Å; F220-L266 HydrophobicContact CZ-CD1 3.96Å; F220-L266 HydrophobicContact CZ-CG 4.38Å
221A93.8Very high92.9Very high28 Ų2853.1 Ų53.123%0.23127%0.273CS..EExtended strand (participates in β ladder)trans-125.9128.8-175.800000110.3N226 S265 T267A221-N226 VanDerWaalsContact CB-OD1 3.24Å; A221-N226 WeakPolarHBondContact CB-OD1 3.25Å; A221-S265 PolarHBondContact N-O 2.8Å; A221-S265 WeakPolarHBondContact O-CB 3.37Å; A221-T267 HydrophobicContact CB-CG2 3.89Å
222N89Confident93.5Very high67 Ų6751.9 Ų51.936%0.35827%0.265SS..  trans-114.1-171.2164.971.316.7000109.3T224 S225 M261N222-T224 PolarHBondContact O-N 3.18Å; N222-T224 PolarHBondContact OD1-N 3.39Å; N222-T224 PolarHBondContact OD1-OG1 2.96Å; N222-S225 PolarHBondContact N-O 3.28Å; N222-S225 PolarHBondContact ND2-OG 3.29Å; N222-S225 WeakPolarHBondContact OD1-CA 3.4Å; N222-S225 PolarHBondContact OD1-N 3.2Å; N222-S225 PolarHBondContact OD1-O 3.42Å; N222-S225 PolarHBondContact OD1-OG 3.46Å; N222-M261 HydrophobicContact CB-CE 4.34Å
223R83.3Confident93.9Very high256 Ų25649.2 Ų49.297%0.96625%0.251SS*.SBendtrans-61.9-25.5-175.8-67-175.2-178.8-173.60.7114.1
224T86Confident93.8Very high132 Ų13253.2 Ų53.281%0.8128%0.276SS*.SBendtrans-125-13.2-167.951.50000114.1N222N222-T224 PolarHBondContact O-N 3.18Å; N222-T224 PolarHBondContact OD1-N 3.39Å; N222-T224 PolarHBondContact OD1-OG1 2.96Å
225S91.1Very high93.6Very high48 Ų4854.4 Ų54.434%0.33628%0.283SS..  trans-149.4151.3-17061.40000112.7N222 M261N222-S225 PolarHBondContact N-O 3.28Å; N222-S225 PolarHBondContact ND2-OG 3.29Å; N222-S225 WeakPolarHBondContact OD1-CA 3.4Å; N222-S225 PolarHBondContact OD1-N 3.2Å; N222-S225 PolarHBondContact OD1-O 3.42Å; N222-S225 PolarHBondContact OD1-OG 3.46Å; S225-M261 WeakPolarHBondContact O-CE 3.28Å; S225-M261 WeakPolarHBondContact OG-CE 3.44Å
226N95Very high93.2Very high107 Ų10760.6 Ų60.657%0.57232%0.316SS*.EExtended strand (participates in β ladder)trans-125.2124.1178.6-77.9-20000108L219 F220 A221L219-N226 HydrophobicContact CD1-CB 3.73Å; F220-N226 WeakPolarHBondContact O-CA 3.48Å; A221-N226 VanDerWaalsContact CB-OD1 3.24Å; A221-N226 WeakPolarHBondContact CB-OD1 3.25Å
227V96.3Very high92.8Very high52 Ų5263.4 Ų63.432%0.31533%0.334SS..EExtended strand (participates in β ladder)trans-123.2130.7179.9179.40000109F220 T229 P258 M261F220-V227 PolarHBondContact N-O 3.45Å; F220-V227 PolarHBondContact O-N 2.94Å; V227-T229 HydrophobicContact CG1-CG2 4.01Å; V227-P258 HydrophobicContact CB-CB 4.35Å; V227-P258 HydrophobicContact CG1-CB 3.9Å; V227-M261 HydrophobicContact CB-CE 4.15Å; V227-M261 HydrophobicContact CB-SD 4.03Å; V227-M261 HydrophobicContact CG2-CE 3.55Å; V227-M261 HydrophobicContact CG2-SD 3.96Å
228F96.9Very high92.5Very high120 Ų12070.6 Ų70.653%0.52637%0.372SS..EExtended strand (participates in β ladder)trans-98128.7173.5-70.6-86.8000110I217 G218 L219 L422I217-F228 HydrophobicContact CG2-CB 3.87Å; I217-F228 HydrophobicContact CG2-CD1 3.8Å; I217-F228 HydrophobicContact CG2-CG 4.28Å; G218-F228 CarbonylContact O-C 3.33Å; G218-F228 VanDerWaalsContact O-CA 3.24Å; G218-F228 WeakPolarHBondContact O-CA 3.49Å; L219-F228 HydrophobicContact CB-CD1 4.01Å; L219-F228 HydrophobicContact CB-CE1 3.7Å; L219-F228 HydrophobicContact CB-CZ 4.31Å; L219-F228 HydrophobicContact CD1-CD1 4.31Å; L219-F228 HydrophobicContact CD1-CD2 4.3Å; L219-F228 HydrophobicContact CD1-CE1 3.99Å; L219-F228 HydrophobicContact CD1-CE2 3.95Å; L219-F228 HydrophobicContact CD1-CG 4.48Å; L219-F228 HydrophobicContact CD1-CZ 3.79Å; L219-F228 HydrophobicContact CD2-CE1 4.33Å; L219-F228 HydrophobicContact CD2-CZ 4.2Å; L219-F228 HydrophobicContact CG-CE1 4.21Å; L219-F228 HydrophobicContact CG-CZ 4.31Å; F228-L422 HydrophobicContact CE1-CD1 4.42Å
229T96.7Very high92.3Very high20 Ų2072.6 Ų72.612%0.12339%0.389CS..EExtended strand (participates in β ladder)trans-130.3158.8173.867.90000111.1I217 G218 F220 V227 V256 P258I217-T229 CarbonylContact C-O 3.57Å; I217-T229 WeakPolarHBondContact CA-O 3.41Å; G218-T229 PolarHBondContact N-O 2.91Å; G218-T229 PolarHBondContact O-N 2.94Å; F220-T229 WeakPolarHBondContact CE2-OG1 3.25Å; V227-T229 HydrophobicContact CG1-CG2 4.01Å; T229-V256 VanDerWaalsContact CB-O 3.3Å; T229-V256 WeakPolarHBondContact CB-O 3.45Å; T229-V256 PolarHBondContact OG1-O 3.12Å; T229-P258 HydrophobicContact CG2-CB 3.85Å; T229-P258 HydrophobicContact CG2-CG 4.47Å
230E96.7Very high92.2Very high73 Ų7377.9 Ų77.934%0.34141%0.413SS..EExtended strand (participates in β ladder)trans-71.8140176.7-178.2162.1-166.400111I215 L235 C255 V256 R274I215-E230 HydrophobicContact CG2-CG 3.89Å; E230-L235 HydrophobicContact CG-CD2 4.11Å; E230-C255 CarbonylContact O-C 3.46Å; E230-C255 WeakPolarHBondContact O-CA 3.43Å; E230-V256 HydrophobicContact CB-CG2 4.44Å; E230-V256 PolarHBondContact O-N 2.98Å; E230-R274 IonicContact OE1-CZ 2.65Å; E230-R274 IonicContact OE1-NH2 3.95Å; E230-R274 PolarHBondContact OE1-NH2 3.39Å; E230-R274 IonicContact OE2-NH2 2.68Å; E230-R274 PolarHBondContact OE2-NH2 2.98Å
231C96.9Very high92.2Very high2 Ų280 Ų801%0.01443%0.425CS..EExtended strand (participates in β ladder)trans-132166176.4-55.60000110.5F216 G218 F253 Y254 C255F216-C231 HydrophobicContact CB-CB 3.84Å; F216-C231 WeakPolarHBondContact CB-O 3.49Å; F216-C231 PolarHBondContact N-O 3.15Å; F216-C231 PolarHBondContact O-N 2.66Å; G218-C231 VanDerWaalsContact CA-SG 3.55Å; G218-C231 PolarHBondContact N-SG 3.2Å; G218-C231 VanDerWaalsContact N-SG 3.38Å; C231-F253 HydrophobicContact CB-CE1 3.67Å; C231-F253 HydrophobicContact CB-CE2 4.3Å; C231-F253 HydrophobicContact CB-CZ 3.44Å; C231-F253 VanDerWaalsContact CB-CZ 3.44Å; C231-Y254 CarbonylContact C-O 3.56Å; C231-Y254 WeakPolarHBondContact CA-O 3.39Å; C231-Y254 WeakPolarHBondContact CB-O 3.49Å; C231-C255 HydrophobicContact CB-CB 4.03Å; C231-C255 WeakPolarHBondContact CB-SG 3.44Å; C231-C255 WeakPolarHBondContact SG-CB 3.27Å; C231-C255 CovalentContact SG-SG 2.04Å; C231-C255 PolarHBondContact SG-SG 3.2Å
232G94.5Very high92.4Very high5 Ų578.8 Ų78.85%0.05241%0.414CS..EExtended strand (participates in β ladder)trans-173.9166.5-18000000113.5T234 F253 Y254G232-T234 VanDerWaalsContact C-N 3.26Å; G232-F253 VanDerWaalsContact O-CD2 3.31Å; G232-F253 WeakPolarHBondContact O-CD2 3.22Å; G232-Y254 PolarHBondContact N-O 2.99Å; G232-Y254 PolarHBondContact O-N 3Å
233L92.5Very high92.7Very high24 Ų2481.5 Ų81.513%0.12643%0.425CS..SBendtrans-70.1-30.8167.6-60.6177.1000111F253 Y254 H415 P416 F457 I461L233-F253 HydrophobicContact CD2-CD2 4.2Å; L233-Y254 WeakPolarHBondContact O-CD2 3.28Å; L233-Y254 WeakPolarHBondContact O-CE2 3.38Å; L233-H415 HydrophobicContact CD2-CB 4.08Å; L233-P416 HydrophobicContact CD1-CB 4.01Å; L233-P416 HydrophobicContact CD1-CG 4.12Å; L233-F457 HydrophobicContact CD1-CD1 3.82Å; L233-F457 HydrophobicContact CD1-CE1 4.05Å; L233-F457 HydrophobicContact CD1-CG 4.34Å; L233-I461 HydrophobicContact CD1-CD1 3.74Å; L233-I461 HydrophobicContact CD1-CG1 4.48Å; L233-I461 HydrophobicContact CD1-CG2 4.12Å
234T88.1Confident93.2Very high97 Ų9772.4 Ų72.460%0.59539%0.391SS*.SBendtrans-139.3142170.949.30000107.2G232G232-T234 VanDerWaalsContact C-N 3.26Å
235L88.4Confident93.5Very high38 Ų3870.4 Ų70.420%0.19937%0.373CS..  trans-132.2120.5175.9-71.5177.8000109.2E230 T237 L241 V256E230-L235 HydrophobicContact CG-CD2 4.11Å; L235-T237 HydrophobicContact CB-CG2 4.19Å; L235-T237 PolarHBondContact O-N 3.04Å; L235-L241 HydrophobicContact CB-CD1 4.37Å; L235-L241 HydrophobicContact CD1-CD2 3.85Å; L235-V256 HydrophobicContact CD1-CG2 4.35Å
236N85.3Confident93.6Very high165 Ų16568.8 Ų68.888%0.88236%0.361SS*.  trans-92.586.5173.3-170.710.8000109.5
237T88.6Confident93.3Very high62 Ų6269.8 Ų69.838%0.3837%0.366SS..  trans-150150.2-178.3-176.70000111.1L235 A239 L241 V256L235-T237 HydrophobicContact CB-CG2 4.19Å; L235-T237 PolarHBondContact O-N 3.04Å; T237-A239 VanDerWaalsContact C-N 3.3Å; T237-A239 HydrophobicContact CG2-CB 4.25Å; T237-A239 WeakPolarHBondContact OG1-CB 3.22Å; T237-A239 PolarHBondContact OG1-N 2.66Å; T237-A239 VanDerWaalsContact OG1-N 3.16Å; T237-L241 HydrophobicContact CG2-CD2 3.65Å; T237-L241 HydrophobicContact CG2-CG 4.4Å; T237-V256 HydrophobicContact CG2-CG2 4.3Å
238N91.4Very high93Very high173 Ų17371.4 Ų71.493%0.92537%0.367SS*.SBendtrans-87.4-2.5172.5-63.8-19.8000112.4
239A94.1Very high92.7Very high42 Ų4266 Ų6635%0.34734%0.343SS..SBendtrans-68.9152.7176.900000111.2T237 L241 V256T237-A239 VanDerWaalsContact C-N 3.3Å; T237-A239 HydrophobicContact CG2-CB 4.25Å; T237-A239 WeakPolarHBondContact OG1-CB 3.22Å; T237-A239 PolarHBondContact OG1-N 2.66Å; T237-A239 VanDerWaalsContact OG1-N 3.16Å; A239-L241 PolarHBondContact O-N 2.89Å; A239-V256 HydrophobicContact CB-CG1 3.88Å
240E95.3Very high92.4Very high124 Ų12469.3 Ų69.358%0.57936%0.357SS*.  trans-62.2136.6171.6-168.4-177.7175.100110.3R257E240-R257 HydrophobicContact CB-CB 4.24Å; E240-R257 HydrophobicContact CG-CB 4.35Å; E240-R257 VanDerWaalsContact O-CB 3.28Å; E240-R257 WeakPolarHBondContact O-CB 3.38Å; E240-R257 PolarHBondContact O-N 3.08Å; E240-R257 WeakPolarHBondContact OE1-CD 3.45Å; E240-R257 IonicContact OE1-CZ 3.39Å; E240-R257 IonicContact OE1-NE 2.74Å; E240-R257 IonicContact OE1-NH1 3.49Å; E240-R257 PolarHBondContact OE1-NH1 3.08Å; E240-R257 WeakPolarHBondContact OE2-CD 3.47Å; E240-R257 IonicContact OE2-NH1 3.33Å
241L96.8Very high92.2Very high46 Ų4666.3 Ų66.324%0.24134%0.343CS..EExtended strand (participates in β ladder)trans-114.4136.4-175.4-61.6-176.9000111.7L235 T237 A239 Y254 C255 V256L235-L241 HydrophobicContact CB-CD1 4.37Å; L235-L241 HydrophobicContact CD1-CD2 3.85Å; T237-L241 HydrophobicContact CG2-CD2 3.65Å; T237-L241 HydrophobicContact CG2-CG 4.4Å; A239-L241 PolarHBondContact O-N 2.89Å; L241-Y254 HydrophobicContact CD1-CD1 4.48Å; L241-C255 CarbonylContact C-O 3.59Å; L241-C255 WeakPolarHBondContact CA-O 3.33Å; L241-V256 HydrophobicContact CD2-CG2 4.14Å
242C96.9Very high92Very high1 Ų167.2 Ų67.21%0.00735%0.351CS..EExtended strand (participates in β ladder)trans-75.5129.7156.8-65.10000109.5Y244 Y254 C255 C263C242-Y244 HydrophobicContact CB-CE2 3.85Å; C242-Y254 WeakPolarHBondContact O-CA 3.5Å; C242-C255 HydrophobicContact CB-CB 4.35Å; C242-C255 PolarHBondContact N-O 3.35Å; C242-C255 PolarHBondContact O-N 3.26Å; C242-C263 WeakPolarHBondContact CA-SG 3.32Å; C242-C263 HydrophobicContact CB-CB 3.56Å; C242-C263 WeakPolarHBondContact CB-SG 3.07Å; C242-C263 WeakPolarHBondContact SG-CA 3.35Å; C242-C263 WeakPolarHBondContact SG-CB 3.3Å; C242-C263 CovalentContact SG-SG 2.03Å; C242-C263 PolarHBondContact SG-SG 3.08Å
243Q95.5Very high92.1Very high125 Ų12567.1 Ų67.158%0.58435%0.349SS*.EExtended strand (participates in β ladder)trans-112125.5-179.1-52.8-174.4-3.100110M245 Y254Q243-M245 HydrophobicContact CB-CG 4.16Å; Q243-M245 HydrophobicContact CB-SD 4.26Å; Q243-Y254 HydrophobicContact CB-CD1 4.21Å; Q243-Y254 HydrophobicContact CB-CE1 4.17Å; Q243-Y254 HydrophobicContact CG-CD1 3.9Å; Q243-Y254 HydrophobicContact CG-CE1 3.9Å
244Y94.8Very high92.3Very high65 Ų6568.4 Ų68.426%0.25535%0.352SS..EExtended strand (participates in β ladder)trans-116.991.1175.5-52.5-83.3000108.2F220 C242 F253 C255 C263 L266F220-Y244 WeakPolarHBondContact CE1-OH 3.2Å; C242-Y244 HydrophobicContact CB-CE2 3.85Å; Y244-F253 WeakPolarHBondContact CB-O 3.42Å; Y244-F253 HydrophobicContact CD2-CD1 4.25Å; Y244-F253 WeakPolarHBondContact CD2-O 3.3Å; Y244-F253 PolarHBondContact N-O 3Å; Y244-F253 PolarHBondContact O-N 2.82Å; Y244-C255 HydrophobicContact CE2-CB 4.21Å; Y244-C263 PolarHBondContact OH-O 3.21Å; Y244-L266 HydrophobicContact CD2-CD2 4.34Å; Y244-L266 HydrophobicContact CE1-CB 4.44Å; Y244-L266 HydrophobicContact CE1-CD2 4.14Å; Y244-L266 HydrophobicContact CE2-CD2 3.66Å; Y244-L266 VanDerWaalsContact OH-CB 3.28Å; Y244-L266 WeakPolarHBondContact OH-CB 3.48Å
245M92.2Very high92.7Very high89 Ų8963.8 Ų63.844%0.43832%0.324SS..EExtended strand (participates in β ladder)trans-100.4140.3-170.2-52.3-61.6-107.800111.4Q243 A252 Y254Q243-M245 HydrophobicContact CB-CG 4.16Å; Q243-M245 HydrophobicContact CB-SD 4.26Å; M245-A252 HydrophobicContact CE-CB 4.28Å; M245-A252 HydrophobicContact SD-CB 3.44Å; M245-A252 WeakPolarHBondContact SD-CB 3.41Å; M245-Y254 HydrophobicContact CE-CE1 4.33Å; M245-Y254 WeakPolarHBondContact CE-OH 3.35Å; M245-Y254 HydrophobicContact SD-CE1 3.96Å
246D91.9Very high93.2Very high15 Ų1563.5 Ų63.58%0.0832%0.324CS..EExtended strand (participates in β ladder)trans-108.491.2158.8-171.3-40000108R248 D249 H250 E251 Y430 R433D246-R248 PolarHBondContact O-N 2.89Å; D246-R248 PolarHBondContact OD1-N 3.31Å; D246-D249 PolarHBondContact O-N 2.94Å; D246-D249 PolarHBondContact OD1-N 3.19Å; D246-H250 WeakPolarHBondContact O-CA 3.07Å; D246-H250 PolarHBondContact O-N 3.01Å; D246-E251 HydrophobicContact CB-CB 4.16Å; D246-E251 PolarHBondContact N-O 3.45Å; D246-E251 PolarHBondContact O-N 3.36Å; D246-Y430 HydrophobicContact CB-CD2 4.02Å; D246-Y430 HydrophobicContact CB-CE2 3.97Å; D246-R433 IonicContact OD1-CZ 2.69Å; D246-R433 IonicContact OD1-NE 3.19Å; D246-R433 PolarHBondContact OD1-NE 2.85Å; D246-R433 IonicContact OD1-NH2 3.43Å; D246-R433 PolarHBondContact OD1-NH2 3.46Å; D246-R433 WeakPolarHBondContact OD2-CG 3.48Å; D246-R433 IonicContact OD2-CZ 3.3Å; D246-R433 IonicContact OD2-NE 2.85Å; D246-R433 PolarHBondContact OD2-NE 3.41Å; D246-R433 IonicContact OD2-NH2 2.87Å
247D89.8Confident93.7Very high128 Ų12860.6 Ų60.668%0.68430%0.301SS*.THydrogen-bonded Turntrans-61.3-30.4-174.3-61.2-32.5000113.1H250D247-H250 PolarHBondContact O-CE1 3.13Å
248R90.4Very high94Very high86 Ų8658 Ų5833%0.32529%0.285SS..THydrogen-bonded Turntrans-69.9-47.4-179-175.3-169.568.3-175.35.9110.7D246 H250 R433 D436D246-R248 PolarHBondContact O-N 2.89Å; D246-R248 PolarHBondContact OD1-N 3.31Å; R248-H250 PolarHBondContact O-ND1 3.26Å; R248-R433 VanDerWaalsContact CZ-CZ 3.41Å; R248-R433 VanDerWaalsContact NH1-NH1 3.15Å; R248-R433 VanDerWaalsContact NH2-CD 3.27Å; R248-D436 IonicContact CZ-OD2 3.75Å; R248-D436 IonicContact NH1-OD2 2.78Å; R248-D436 PolarHBondContact NH1-OD2 3.26Å; R248-D436 IonicContact NH2-OD2 3.7Å; R248-D436 PolarHBondContact NH2-OD2 3.3Å
249D90.6Very high93.8Very high5 Ų557.8 Ų57.83%0.02728%0.278CS..THydrogen-bonded Turntrans-96.8-1.1-172.1-64.3-16000111.7D246 E251 P432 N468D246-D249 PolarHBondContact O-N 2.94Å; D246-D249 PolarHBondContact OD1-N 3.19Å; D249-E251 HydrophobicContact CB-CG 4.13Å; D249-E251 PolarHBondContact O-N 3.15Å; D249-P432 VanDerWaalsContact OD2-CB 3.27Å; D249-P432 WeakPolarHBondContact OD2-CB 3.43Å; D249-N468 HydrophobicContact CB-CB 4.35Å; D249-N468 PolarHBondContact O-ND2 3.21Å
250H90.4Very high93.5Very high90 Ų9064.5 Ų64.542%0.41730%0.302SS..THydrogen-bonded Turntrans54.242.9-179.2-56.876.2000111.8P77 D246 D247 R248P77-H250 WeakPolarHBondContact CB-NE2 3.41Å; P77-H250 VanDerWaalsContact CG-NE2 3.29Å; P77-H250 WeakPolarHBondContact CG-NE2 3.25Å; D246-H250 WeakPolarHBondContact O-CA 3.07Å; D246-H250 PolarHBondContact O-N 3.01Å; D247-H250 PolarHBondContact O-CE1 3.13Å; R248-H250 PolarHBondContact O-ND1 3.26Å
251E91.6Very high93.3Very high11 Ų1159 Ų595%0.05128%0.276CS..EExtended strand (participates in β ladder)trans-107.7139.9176.4-60-86.8-170.300108D246 D249 Y430 R465 N468D246-E251 HydrophobicContact CB-CB 4.16Å; D246-E251 PolarHBondContact N-O 3.45Å; D246-E251 PolarHBondContact O-N 3.36Å; D249-E251 HydrophobicContact CB-CG 4.13Å; D249-E251 PolarHBondContact O-N 3.15Å; E251-Y430 HydrophobicContact CB-CD2 4.03Å; E251-Y430 HydrophobicContact CB-CE2 3.5Å; E251-Y430 VanDerWaalsContact CB-CE2 3.5Å; E251-Y430 HydrophobicContact CG-CD2 4.41Å; E251-Y430 HydrophobicContact CG-CE2 4.32Å; E251-R465 IonicContact OE1-CZ 3.97Å; E251-R465 IonicContact OE1-NE 3.73Å; E251-R465 PolarHBondContact OE1-NE 3.19Å; E251-R465 IonicContact OE1-NH2 3.83Å; E251-R465 PolarHBondContact OE1-NH2 3.02Å; E251-R465 IonicContact OE2-CZ 3.17Å; E251-R465 IonicContact OE2-NE 2.64Å; E251-R465 IonicContact OE2-NH2 3.06Å; E251-R465 PolarHBondContact OE2-NH2 3.14Å; E251-N468 PolarHBondContact OE1-ND2 2.85Å
252A93Very high93.2Very high21 Ų2159.7 Ų59.717%0.17428%0.284CS..EExtended strand (participates in β ladder)trans-141.1147.2-176.500000111.2M245 Y254M245-A252 HydrophobicContact CE-CB 4.28Å; M245-A252 HydrophobicContact SD-CB 3.44Å; M245-A252 WeakPolarHBondContact SD-CB 3.41Å; A252-Y254 HydrophobicContact CB-CD2 4.46Å; A252-Y254 HydrophobicContact CB-CE2 3.53Å; A252-Y254 WeakPolarHBondContact CB-OH 3.37Å
253F95.8Very high93.2Very high3 Ų360.7 Ų60.71%0.01329%0.291CS..EExtended strand (participates in β ladder)trans-134.7139.9168.6-169.1-112.8000108.7F216 C231 G232 L233 Y244 V269 H415F216-F253 HydrophobicContact CB-CE2 4.11Å; F216-F253 HydrophobicContact CB-CZ 3.77Å; F216-F253 HydrophobicContact CD1-CE2 4.01Å; F216-F253 HydrophobicContact CD1-CZ 4.07Å; F216-F253 HydrophobicContact CD2-CE2 4.14Å; F216-F253 HydrophobicContact CE1-CE2 4.5Å; F216-F253 AromaticContact CG-CE2 3.83Å; F216-F253 HydrophobicContact CG-CE2 3.83Å; F216-F253 AromaticContact CG-CZ 3.92Å; F216-F253 HydrophobicContact CG-CZ 3.92Å; C231-F253 HydrophobicContact CB-CE1 3.67Å; C231-F253 HydrophobicContact CB-CE2 4.3Å; C231-F253 HydrophobicContact CB-CZ 3.44Å; C231-F253 VanDerWaalsContact CB-CZ 3.44Å; G232-F253 VanDerWaalsContact O-CD2 3.31Å; G232-F253 WeakPolarHBondContact O-CD2 3.22Å; L233-F253 HydrophobicContact CD2-CD2 4.2Å; Y244-F253 WeakPolarHBondContact CB-O 3.42Å; Y244-F253 HydrophobicContact CD2-CD1 4.25Å; Y244-F253 WeakPolarHBondContact CD2-O 3.3Å; Y244-F253 PolarHBondContact N-O 3Å; Y244-F253 PolarHBondContact O-N 2.82Å; F253-V269 HydrophobicContact CE1-CG2 4.16Å; F253-V269 HydrophobicContact CZ-CG1 4.37Å; F253-V269 HydrophobicContact CZ-CG2 4.5Å; F253-H415 AromaticContact CD1-CD2 3.85Å; F253-H415 AromaticContact CD1-NE2 3.6Å; F253-H415 HydrophobicContact CD2-CB 4.18Å; F253-H415 AromaticContact CD2-CD2 3.92Å; F253-H415 AromaticContact CD2-CG 3.79Å; F253-H415 AromaticContact CE1-CE1 3.74Å; F253-H415 AromaticContact CE1-NE2 3.66Å; F253-H415 AromaticContact CE2-CE1 3.98Å; F253-H415 AromaticContact CE2-ND1 3.77Å; F253-H415 AromaticContact CG-CD2 3.65Å; F253-H415 AromaticContact CG-NE2 3.91Å; F253-H415 AromaticContact CZ-CE1 3.67Å; F253-H415 AromaticContact CZ-ND1 3.92Å
254Y96.7Very high93.1Very high50 Ų5062.5 Ų62.520%0.19630%0.299CS..EExtended strand (participates in β ladder)trans-126.7146.4-173.9-56.2-84.7000110C231 G232 L233 L241 C242 Q243 M245 A252C231-Y254 CarbonylContact C-O 3.56Å; C231-Y254 WeakPolarHBondContact CA-O 3.39Å; C231-Y254 WeakPolarHBondContact CB-O 3.49Å; G232-Y254 PolarHBondContact N-O 2.99Å; G232-Y254 PolarHBondContact O-N 3Å; L233-Y254 WeakPolarHBondContact O-CD2 3.28Å; L233-Y254 WeakPolarHBondContact O-CE2 3.38Å; L241-Y254 HydrophobicContact CD1-CD1 4.48Å; C242-Y254 WeakPolarHBondContact O-CA 3.5Å; Q243-Y254 HydrophobicContact CB-CD1 4.21Å; Q243-Y254 HydrophobicContact CB-CE1 4.17Å; Q243-Y254 HydrophobicContact CG-CD1 3.9Å; Q243-Y254 HydrophobicContact CG-CE1 3.9Å; M245-Y254 HydrophobicContact CE-CE1 4.33Å; M245-Y254 WeakPolarHBondContact CE-OH 3.35Å; M245-Y254 HydrophobicContact SD-CE1 3.96Å; A252-Y254 HydrophobicContact CB-CD2 4.46Å; A252-Y254 HydrophobicContact CB-CE2 3.53Å; A252-Y254 WeakPolarHBondContact CB-OH 3.37Å
255C97.8Very high93.2Very high0 Ų060.1 Ų60.10%029%0.292CS..EExtended strand (participates in β ladder)trans-133.4142.9170-68.10000109.8F220 E230 C231 L241 C242 Y244 R257F220-C255 HydrophobicContact CE2-CB 3.95Å; F220-C255 HydrophobicContact CZ-CB 3.67Å; E230-C255 CarbonylContact O-C 3.46Å; E230-C255 WeakPolarHBondContact O-CA 3.43Å; C231-C255 HydrophobicContact CB-CB 4.03Å; C231-C255 WeakPolarHBondContact CB-SG 3.44Å; C231-C255 WeakPolarHBondContact SG-CB 3.27Å; C231-C255 CovalentContact SG-SG 2.04Å; C231-C255 PolarHBondContact SG-SG 3.2Å; L241-C255 CarbonylContact C-O 3.59Å; L241-C255 WeakPolarHBondContact CA-O 3.33Å; C242-C255 HydrophobicContact CB-CB 4.35Å; C242-C255 PolarHBondContact N-O 3.35Å; C242-C255 PolarHBondContact O-N 3.26Å; Y244-C255 HydrophobicContact CE2-CB 4.21Å; C255-R257 PolarHBondContact O-N 2.88Å
256V97.6Very high93.4Very high33 Ų3356.7 Ų56.720%0.228%0.275CS..EExtended strand (participates in β ladder)trans-60.4125.9167.71770000108.3T229 E230 L235 T237 A239 L241 P258T229-V256 VanDerWaalsContact CB-O 3.3Å; T229-V256 WeakPolarHBondContact CB-O 3.45Å; T229-V256 PolarHBondContact OG1-O 3.12Å; E230-V256 HydrophobicContact CB-CG2 4.44Å; E230-V256 PolarHBondContact O-N 2.98Å; L235-V256 HydrophobicContact CD1-CG2 4.35Å; T237-V256 HydrophobicContact CG2-CG2 4.3Å; A239-V256 HydrophobicContact CB-CG1 3.88Å; L241-V256 HydrophobicContact CD2-CG2 4.14Å; V256-P258 VanDerWaalsContact O-CD 3.28Å; V256-P258 WeakPolarHBondContact O-CD 3.44Å
257R96.3Very high93.6Very high104 Ų10456.7 Ų56.739%0.39228%0.276SS..PPolyproline II helixtrans-66.4118.7-177.4-172.8177.6-175.3163.61.9109.5E240 C255E240-R257 HydrophobicContact CB-CB 4.24Å; E240-R257 HydrophobicContact CG-CB 4.35Å; E240-R257 VanDerWaalsContact O-CB 3.28Å; E240-R257 WeakPolarHBondContact O-CB 3.38Å; E240-R257 PolarHBondContact O-N 3.08Å; E240-R257 WeakPolarHBondContact OE1-CD 3.45Å; E240-R257 IonicContact OE1-CZ 3.39Å; E240-R257 IonicContact OE1-NE 2.74Å; E240-R257 IonicContact OE1-NH1 3.49Å; E240-R257 PolarHBondContact OE1-NH1 3.08Å; E240-R257 WeakPolarHBondContact OE2-CD 3.47Å; E240-R257 IonicContact OE2-NH1 3.33Å; C255-R257 PolarHBondContact O-N 2.88Å
258P94.6Very high93.9Very high6 Ų652.7 Ų52.74%0.03925%0.253CS..PPolyproline II helixtrans-64.6143.7173.824.7-34.1000111.8F220 V227 T229 V256 H260 M261F220-P258 HydrophobicContact CB-CG 3.95Å; F220-P258 HydrophobicContact CD1-CG 3.72Å; F220-P258 HydrophobicContact CD2-CG 4.02Å; F220-P258 HydrophobicContact CE1-CG 4.19Å; F220-P258 HydrophobicContact CE2-CG 4.49Å; F220-P258 HydrophobicContact CG-CG 3.63Å; V227-P258 HydrophobicContact CB-CB 4.35Å; V227-P258 HydrophobicContact CG1-CB 3.9Å; T229-P258 HydrophobicContact CG2-CB 3.85Å; T229-P258 HydrophobicContact CG2-CG 4.47Å; V256-P258 VanDerWaalsContact O-CD 3.28Å; V256-P258 WeakPolarHBondContact O-CD 3.44Å; P258-H260 PolarHBondContact O-N 3.25Å; P258-M261 HydrophobicContact CB-CB 3.98Å; P258-M261 HydrophobicContact CB-SD 4.45Å; P258-M261 HydrophobicContact CG-CB 3.53Å; P258-M261 HydrophobicContact CG-SD 4.38Å; P258-M261 PolarHBondContact O-N 2.8Å
259Q88.8Confident94.2Very high169 Ų16948.6 Ų48.679%0.7924%0.237SC*.THydrogen-bonded Turntrans-60133.8172.5-71.6-175.2-14.200110.2M261Q259-M261 PolarHBondContact O-N 3.13Å
260H86.9Confident94.5Very high184 Ų18449.1 Ų49.185%0.85224%0.241SC*.THydrogen-bonded Turntrans59.822.1177.3-47.2-66.2000115.9P258P258-H260 PolarHBondContact O-N 3.25Å
261M91.9Very high94.8Very high7 Ų745.1 Ų45.13%0.03422%0.223CC..  trans-128.9139.4175.1-83.7-172.4-172.500111.8F220 N222 S225 V227 P258 Q259F220-M261 HydrophobicContact CB-SD 3.62Å; N222-M261 HydrophobicContact CB-CE 4.34Å; S225-M261 WeakPolarHBondContact O-CE 3.28Å; S225-M261 WeakPolarHBondContact OG-CE 3.44Å; V227-M261 HydrophobicContact CB-CE 4.15Å; V227-M261 HydrophobicContact CB-SD 4.03Å; V227-M261 HydrophobicContact CG2-CE 3.55Å; V227-M261 HydrophobicContact CG2-SD 3.96Å; P258-M261 HydrophobicContact CB-CB 3.98Å; P258-M261 HydrophobicContact CB-SD 4.45Å; P258-M261 HydrophobicContact CG-CB 3.53Å; P258-M261 HydrophobicContact CG-SD 4.38Å; P258-M261 PolarHBondContact O-N 2.8Å; Q259-M261 PolarHBondContact O-N 3.13Å
262P94.3Very high94.9Very high61 Ų6152.3 Ų52.340%0.39625%0.249SC..  trans-77.1153.3175.834.3-35.6000111.1E264 S265P262-E264 WeakPolarHBondContact CB-OE2 3.46Å; P262-E264 PolarHBondContact O-N 2.99Å; P262-S265 WeakPolarHBondContact O-CB 3.3Å; P262-S265 PolarHBondContact O-N 2.92Å; P262-S265 PolarHBondContact O-OG 2.84Å
263C95.6Very high94.9Very high23 Ų2354.8 Ų54.816%0.15526%0.262CS..G310 helixtrans-64.5-27-177.5-68.20000113.2C242 Y244 S265 L266C242-C263 WeakPolarHBondContact CA-SG 3.32Å; C242-C263 HydrophobicContact CB-CB 3.56Å; C242-C263 WeakPolarHBondContact CB-SG 3.07Å; C242-C263 WeakPolarHBondContact SG-CA 3.35Å; C242-C263 WeakPolarHBondContact SG-CB 3.3Å; C242-C263 CovalentContact SG-SG 2.03Å; C242-C263 PolarHBondContact SG-SG 3.08Å; Y244-C263 PolarHBondContact OH-O 3.21Å; C263-S265 PolarHBondContact O-N 2.92Å; C263-L266 PolarHBondContact O-N 3.06Å
264E94.8Very high94.6Very high163 Ų16358.6 Ų58.676%0.76228%0.276SS*.G310 helixtrans-68.5-11.1176.5-59.475.1-166.900112.3P262 L266P262-E264 WeakPolarHBondContact CB-OE2 3.46Å; P262-E264 PolarHBondContact O-N 2.99Å; E264-L266 VanDerWaalsContact C-N 3.29Å; E264-L266 PolarHBondContact O-N 3.35Å
265S96.2Very high94.2Very high14 Ų1464.6 Ų64.610%0.09831%0.312CS..G310 helixtrans-82.81.8177.168.30000114.4F220 A221 P262 C263 T267F220-S265 CarbonylContact C-O 3.58Å; F220-S265 VanDerWaalsContact CA-O 3.29Å; F220-S265 WeakPolarHBondContact CA-O 3.16Å; F220-S265 WeakPolarHBondContact CD1-OG 3.39Å; A221-S265 PolarHBondContact N-O 2.8Å; A221-S265 WeakPolarHBondContact O-CB 3.37Å; P262-S265 WeakPolarHBondContact O-CB 3.3Å; P262-S265 PolarHBondContact O-N 2.92Å; P262-S265 PolarHBondContact O-OG 2.84Å; C263-S265 PolarHBondContact O-N 2.92Å; S265-T267 WeakPolarHBondContact O-CG2 3.34Å; S265-T267 PolarHBondContact O-N 3.17Å
266L96.6Very high93.9Very high18 Ų1868.5 Ų68.59%0.09433%0.332CS..EExtended strand (participates in β ladder)trans-64.1121171.2179.565.9000110.1F220 Y244 C263 E264 V269 V425F220-L266 HydrophobicContact CD1-CB 4.03Å; F220-L266 HydrophobicContact CD2-CD1 4.15Å; F220-L266 HydrophobicContact CE1-CB 3.67Å; F220-L266 HydrophobicContact CE1-CD1 4.47Å; F220-L266 HydrophobicContact CE2-CB 4.49Å; F220-L266 HydrophobicContact CE2-CD1 3.77Å; F220-L266 HydrophobicContact CZ-CB 3.92Å; F220-L266 HydrophobicContact CZ-CD1 3.96Å; F220-L266 HydrophobicContact CZ-CG 4.38Å; Y244-L266 HydrophobicContact CD2-CD2 4.34Å; Y244-L266 HydrophobicContact CE1-CB 4.44Å; Y244-L266 HydrophobicContact CE1-CD2 4.14Å; Y244-L266 HydrophobicContact CE2-CD2 3.66Å; Y244-L266 VanDerWaalsContact OH-CB 3.28Å; Y244-L266 WeakPolarHBondContact OH-CB 3.48Å; C263-L266 PolarHBondContact O-N 3.06Å; E264-L266 VanDerWaalsContact C-N 3.29Å; E264-L266 PolarHBondContact O-N 3.35Å; L266-V269 HydrophobicContact CD1-CG2 4.25Å; L266-V425 HydrophobicContact CD2-CG2 3.96Å; L266-V425 HydrophobicContact CG-CG2 3.76Å
267T95.1Very high93.7Very high15 Ų1569 Ų699%0.09234%0.337CS..EExtended strand (participates in β ladder)trans-116.9-35.7-175.959.80000113.5L219 A221 S265 S424 V425 K426L219-T267 PolarHBondContact O-N 2.93Å; L219-T267 PolarHBondContact O-OG1 3.5Å; L219-T267 VanDerWaalsContact O-OG1 3.06Å; A221-T267 HydrophobicContact CB-CG2 3.89Å; S265-T267 WeakPolarHBondContact O-CG2 3.34Å; S265-T267 PolarHBondContact O-N 3.17Å; T267-S424 WeakPolarHBondContact O-CA 3.29Å; T267-V425 PolarHBondContact O-N 3.22Å; T267-K426 VanDerWaalsContact CB-CE 3.47Å; T267-K426 VanDerWaalsContact CG2-CE 3.43Å
268H96.1Very high93.5Very high43 Ų4364.6 Ų64.620%0.19932%0.322CS..EExtended strand (participates in β ladder)trans-143.4158.6-176.1-57.976.7000111.5G218 L219 L422 F423 S424G218-H268 CarbonylContact C-O 3.57Å; G218-H268 WeakPolarHBondContact CA-O 3.36Å; L219-H268 HydrophobicContact CB-CB 4.12Å; L219-H268 HydrophobicContact CD2-CB 4.31Å; L219-H268 PolarHBondContact N-O 2.03Å; L219-H268 PolarHBondContact O-N 2.81Å; H268-L422 HydrophobicContact CB-CD1 3.57Å; H268-L422 HydrophobicContact CB-CD2 4.1Å; H268-L422 HydrophobicContact CB-CG 3.64Å; H268-F423 CarbonylContact C-O 3.47Å; H268-F423 WeakPolarHBondContact CA-O 3.14Å; H268-F423 VanDerWaalsContact CB-O 3.25Å; H268-F423 WeakPolarHBondContact CB-O 3.18Å; H268-S424 PolarHBondContact CD2-N 2.82Å
269V97Very high93.5Very high0 Ų065 Ų650%032%0.324CS..EExtended strand (participates in β ladder)trans-132.9149.6173.71740000109.4F216 I217 F253 L266 F423 V425F216-V269 HydrophobicContact CB-CG1 4.13Å; F216-V269 HydrophobicContact CD1-CG1 3.92Å; I217-V269 CarbonylContact O-C 3.32Å; I217-V269 WeakPolarHBondContact O-CA 3.26Å; F253-V269 HydrophobicContact CE1-CG2 4.16Å; F253-V269 HydrophobicContact CZ-CG1 4.37Å; F253-V269 HydrophobicContact CZ-CG2 4.5Å; L266-V269 HydrophobicContact CD1-CG2 4.25Å; V269-F423 HydrophobicContact CB-CE1 4.13Å; V269-F423 HydrophobicContact CB-CE2 4Å; V269-F423 HydrophobicContact CB-CZ 3.71Å; V269-F423 HydrophobicContact CG1-CE1 4.1Å; V269-F423 HydrophobicContact CG1-CZ 3.79Å; V269-F423 PolarHBondContact N-O 3.32Å; V269-F423 WeakPolarHBondContact O-CD1 3.46Å; V269-F423 WeakPolarHBondContact O-CE1 3.17Å; V269-F423 PolarHBondContact O-N 3.03Å; V269-V425 HydrophobicContact CB-CG1 3.92Å; V269-V425 HydrophobicContact CG2-CG1 3.57Å
270T97.1Very high93.7Very high17 Ų1759.3 Ų59.310%0.10430%0.302CS..EExtended strand (participates in β ladder)trans-137.6172.3165.7-170.40000109.3F216 I217 T419 K420 L422F216-T270 CarbonylContact C-O 3.55Å; F216-T270 WeakPolarHBondContact CA-O 3.49Å; I217-T270 HydrophobicContact CB-CG2 4.04Å; I217-T270 PolarHBondContact N-O 3.11Å; I217-T270 PolarHBondContact O-N 3.43Å; T270-T419 PolarHBondContact OG1-O 2.87Å; T270-K420 PolarHBondContact OG1-O 3.17Å; T270-L422 HydrophobicContact CG2-CD1 4.31Å
271T97.2Very high94Very high5 Ų559.2 Ų59.23%0.03130%0.3CS..EExtended strand (participates in β ladder)trans-125.1151.4175.965.10000113.1I214 I215 F216 T419I214-T271 HydrophobicContact CG2-CG2 3.95Å; I215-T271 CarbonylContact O-C 3.58Å; I215-T271 WeakPolarHBondContact O-CA 3.45Å; I215-T271 WeakPolarHBondContact O-CB 3.13Å; F216-T271 HydrophobicContact CD1-CG2 3.42Å; F216-T271 VanDerWaalsContact CD1-CG2 3.42Å; F216-T271 HydrophobicContact CE1-CG2 3.57Å; F216-T271 HydrophobicContact CG-CG2 4.07Å; F216-T271 HydrophobicContact CZ-CG2 4.33Å; T271-T419 PolarHBondContact N-O 3Å; T271-T419 PolarHBondContact OG1-N 3.14Å; T271-T419 PolarHBondContact OG1-O 3.27Å
272R94.7Very high94Very high163 Ų16364 Ų6462%0.61532%0.322SS*.EExtended strand (participates in β ladder)trans-129.4152.4169.2-64.6-169.6-177.1175.7-1.6109.7I215 I217I215-R272 PolarHBondContact N-O 3.32Å; I215-R272 PolarHBondContact O-N 3.04Å; I217-R272 HydrophobicContact CD1-CB 4.48Å; I217-R272 HydrophobicContact CD1-CG 3.74Å
273T92.5Very high94.1Very high72 Ų7262.3 Ų62.344%0.44231%0.309SS..EExtended strand (participates in β ladder)trans-94.1128.7175.5-55.20000109K213 M501K213-T273 CarbonylContact O-C 3.55Å; K213-T273 WeakPolarHBondContact O-CA 3.27Å; T273-M501 HydrophobicContact CG2-CE 3.48Å; T273-M501 VanDerWaalsContact CG2-CE 3.48Å; T273-M501 HydrophobicContact CG2-SD 4.01Å
274R89.9Confident94Very high83 Ų8366.2 Ų66.231%0.31332%0.32SS..  trans-74.7145.6169.2-63.6-161.4176.2-161.6-5.6109.8D212 K213 I215 E230 I276D212-R274 VanDerWaalsContact O-CD 3.26Å; D212-R274 WeakPolarHBondContact O-CD 3.18Å; K213-R274 PolarHBondContact O-N 3.38Å; I215-R274 HydrophobicContact CD1-CG 3.53Å; I215-R274 HydrophobicContact CG1-CG 3.32Å; E230-R274 IonicContact OE1-CZ 2.65Å; E230-R274 IonicContact OE1-NH2 3.95Å; E230-R274 PolarHBondContact OE1-NH2 3.39Å; E230-R274 IonicContact OE2-NH2 2.68Å; E230-R274 PolarHBondContact OE2-NH2 2.98Å; R274-I276 HydrophobicContact CB-CB 4.37Å; R274-I276 HydrophobicContact CB-CD1 4.04Å; R274-I276 HydrophobicContact CB-CG1 4.26Å; R274-I276 PolarHBondContact O-N 3.5Å
275N88.4Confident93.9Very high176 Ų17659.6 Ų59.694%0.94129%0.292SS*.SBendtrans-83.762.6170.4-165.827.7000110.3
276I91Very high93.9Very high82 Ų8259.1 Ų59.142%0.42129%0.288SS..  trans-129.5142.8179.4-68164.2000108C211 R274C211-I276 HydrophobicContact CB-CG2 4.08Å; R274-I276 HydrophobicContact CB-CB 4.37Å; R274-I276 HydrophobicContact CB-CD1 4.04Å; R274-I276 HydrophobicContact CB-CG1 4.26Å; R274-I276 PolarHBondContact O-N 3.5Å
277S92.1Very high93.8Very high44 Ų4459 Ų5931%0.30829%0.287SS..  trans-128.7143.3174.7-172.50000109.9L279 W284 E500S277-L279 VanDerWaalsContact C-N 3.33Å; S277-L279 WeakPolarHBondContact OG-CB 3.49Å; S277-L279 PolarHBondContact OG-N 3.41Å; S277-W284 PolarHBondContact OG-NE1 3.3Å; S277-W284 VanDerWaalsContact OG-NE1 3.11Å; S277-E500 WeakPolarHBondContact CB-OE2 3.33Å; S277-E500 PolarHBondContact OG-OE1 2.64Å; S277-E500 PolarHBondContact OG-OE2 3.42Å
278C93Very high93.7Very high12 Ų1263 Ų638%0.08130%0.304CS..SBendtrans-92.80.2169.6-44.80000112R205 A206 C211 K213 E500R205-C278 PolarHBondContact NH1-O 3.36Å; R205-C278 PolarHBondContact NH2-O 2.86Å; A206-C278 HydrophobicContact CB-CB 3.66Å; A206-C278 PolarHBondContact O-SG 3.49Å; C211-C278 HydrophobicContact CB-CB 4.32Å; C211-C278 WeakPolarHBondContact CB-SG 3.27Å; C211-C278 WeakPolarHBondContact SG-CB 3.42Å; C211-C278 CovalentContact SG-SG 2Å; C211-C278 PolarHBondContact SG-SG 3.19Å; K213-C278 VanDerWaalsContact CE-SG 3.58Å; K213-C278 PolarHBondContact NZ-SG 3.43Å; C278-E500 PolarHBondContact N-OE1 3.18Å
279L94.3Very high93.4Very high15 Ų1570 Ų708%0.07933%0.329CS..SBendtrans-89.8138.1176.3-60.1169.7000108.7A202 A206 S277 E283 F287 E500A202-L279 HydrophobicContact CB-CD2 3.8Å; A206-L279 HydrophobicContact CB-CD2 3.69Å; A206-L279 HydrophobicContact CB-CG 4.11Å; S277-L279 VanDerWaalsContact C-N 3.33Å; S277-L279 WeakPolarHBondContact OG-CB 3.49Å; S277-L279 PolarHBondContact OG-N 3.41Å; L279-E283 HydrophobicContact CB-CB 4.08Å; L279-E283 HydrophobicContact CD2-CB 4.12Å; L279-F287 HydrophobicContact CD1-CD2 3.76Å; L279-F287 HydrophobicContact CD1-CE2 3.59Å; L279-F287 HydrophobicContact CD2-CE2 4.15Å; L279-F287 HydrophobicContact CG-CE2 4.49Å; L279-E500 HydrophobicContact CD1-CB 3.83Å; L279-E500 HydrophobicContact CD1-CG 3.72Å; L279-E500 HydrophobicContact CG-CG 4.08Å
280S93.6Very high93.1Very high48 Ų4874.2 Ų74.234%0.33636%0.359SS..  trans-62.5165.2164.560.30000110.7E282 E283 W284S280-E282 PolarHBondContact O-N 3.2Å; S280-E283 WeakPolarHBondContact CB-OE2 3.06Å; S280-E283 PolarHBondContact N-OE2 3.26Å; S280-E283 PolarHBondContact O-N 3.37Å; S280-E283 WeakPolarHBondContact OG-CB 3.11Å; S280-E283 WeakPolarHBondContact OG-CG 3.06Å; S280-E283 PolarHBondContact OG-N 2.87Å; S280-E283 PolarHBondContact OG-OE2 3.24Å; S280-W284 WeakPolarHBondContact O-CB 3.08Å; S280-W284 PolarHBondContact O-N 2.95Å
281K92.3Very high92.9Very high183 Ų18375.9 Ų75.980%0.79637%0.367SS*.Hα-helixtrans-61.1-38177.6-69.2-179.8179.81760111.2W284 S285K281-W284 WeakPolarHBondContact O-CB 3.18Å; K281-W284 PolarHBondContact O-N 3.1Å; K281-S285 PolarHBondContact O-N 3.1Å
282E92.5Very high92.8Very high106 Ų10675.9 Ų75.950%0.49537%0.367SS..Hα-helixtrans-65.5-47.6178.8-63.567.6-147.600110.5F100 S280 W284 S285F100-E282 HydrophobicContact CE2-CB 4.48Å; F100-E282 HydrophobicContact CZ-CB 4.46Å; S280-E282 PolarHBondContact O-N 3.2Å; E282-W284 VanDerWaalsContact C-N 3.34Å; E282-W284 PolarHBondContact O-N 2.85Å; E282-S285 WeakPolarHBondContact O-CB 3.4Å; E282-S285 PolarHBondContact O-N 2.67Å; E282-S285 PolarHBondContact O-OG 2.66Å
283E95.7Very high92.8Very high26 Ų2669 Ų6912%0.12135%0.347CS..Hα-helixtrans-62.2-41.4174.2-72163.9141.500112F100 A202 R205 L279 S280 S285 L286 F287F100-E283 HydrophobicContact CE1-CG 3.79Å; F100-E283 HydrophobicContact CZ-CG 4.19Å; A202-E283 HydrophobicContact CB-CB 4.08Å; A202-E283 HydrophobicContact CB-CG 3.69Å; A202-E283 VanDerWaalsContact CB-OE1 3.28Å; A202-E283 WeakPolarHBondContact CB-OE1 3.5Å; R205-E283 IonicContact CZ-OE1 3.03Å; R205-E283 IonicContact CZ-OE2 2.74Å; R205-E283 IonicContact NE-OE1 2.74Å; R205-E283 IonicContact NH2-OE1 3.61Å; R205-E283 PolarHBondContact NH2-OE1 3.13Å; R205-E283 IonicContact NH2-OE2 3.95Å; R205-E283 PolarHBondContact NH2-OE2 3.4Å; L279-E283 HydrophobicContact CB-CB 4.08Å; L279-E283 HydrophobicContact CD2-CB 4.12Å; S280-E283 WeakPolarHBondContact CB-OE2 3.06Å; S280-E283 PolarHBondContact N-OE2 3.26Å; S280-E283 PolarHBondContact O-N 3.37Å; S280-E283 WeakPolarHBondContact OG-CB 3.11Å; S280-E283 WeakPolarHBondContact OG-CG 3.06Å; S280-E283 PolarHBondContact OG-N 2.87Å; S280-E283 PolarHBondContact OG-OE2 3.24Å; E283-S285 PolarHBondContact O-N 2.81Å; E283-L286 WeakPolarHBondContact O-CB 3.09Å; E283-L286 PolarHBondContact O-N 3.49Å; E283-L286 VanDerWaalsContact O-N 3.08Å; E283-F287 VanDerWaalsContact O-CD2 3.24Å; E283-F287 WeakPolarHBondContact O-CD2 3.3Å; E283-F287 WeakPolarHBondContact O-CE2 3.36Å
284W93.3Very high93Very high105 Ų10567.5 Ų67.540%0.39834%0.338SS..Hα-helixtrans-56.4-34.4177.3-126.2100000112.3S277 S280 K281 E282 L286 F287S277-W284 PolarHBondContact OG-NE1 3.3Å; S277-W284 VanDerWaalsContact OG-NE1 3.11Å; S280-W284 WeakPolarHBondContact O-CB 3.08Å; S280-W284 PolarHBondContact O-N 2.95Å; K281-W284 WeakPolarHBondContact O-CB 3.18Å; K281-W284 PolarHBondContact O-N 3.1Å; E282-W284 VanDerWaalsContact C-N 3.34Å; E282-W284 PolarHBondContact O-N 2.85Å; W284-L286 PolarHBondContact O-N 2.91Å; W284-F287 PolarHBondContact O-N 3.42Å
285S93.6Very high93.3Very high25 Ų2566.1 Ų66.118%0.17534%0.335CS..Hα-helixtrans-64.3-22.5-179.480.10000114.3V103 K281 E282 E283 F287 H288 N291V103-S285 WeakPolarHBondContact CG2-OG 3.48Å; K281-S285 PolarHBondContact O-N 3.1Å; E282-S285 WeakPolarHBondContact O-CB 3.4Å; E282-S285 PolarHBondContact O-N 2.67Å; E282-S285 PolarHBondContact O-OG 2.66Å; E283-S285 PolarHBondContact O-N 2.81Å; S285-F287 PolarHBondContact O-N 3Å; S285-H288 PolarHBondContact O-ND1 3.31Å; S285-N291 PolarHBondContact O-ND2 3.37Å
286L95.8Very high93.6Very high3 Ų358.2 Ų58.22%0.01629%0.292CS..THydrogen-bonded Turntrans-71.9-18.6175-59.6-178.6000112.6F100 V103 T106 P196 E198 E283 W284 N291F100-L286 HydrophobicContact CD1-CD1 4.46Å; F100-L286 HydrophobicContact CE1-CD1 3.59Å; F100-L286 HydrophobicContact CE1-CG 4.43Å; F100-L286 HydrophobicContact CE2-CD1 4.26Å; F100-L286 HydrophobicContact CE2-CD2 4.37Å; F100-L286 HydrophobicContact CE2-CG 4.39Å; F100-L286 HydrophobicContact CZ-CD1 3.48Å; F100-L286 VanDerWaalsContact CZ-CD1 3.48Å; F100-L286 HydrophobicContact CZ-CD2 4.28Å; F100-L286 HydrophobicContact CZ-CG 3.82Å; V103-L286 HydrophobicContact CB-CD2 4.48Å; V103-L286 HydrophobicContact CG1-CD2 3.95Å; V103-L286 HydrophobicContact CG2-CD2 4.14Å; T106-L286 HydrophobicContact CG2-CD1 4.36Å; T106-L286 HydrophobicContact CG2-CD2 3.91Å; P196-L286 HydrophobicContact CG-CD1 4.2Å; P196-L286 HydrophobicContact CG-CD2 4.39Å; E198-L286 HydrophobicContact CB-CD1 4.22Å; E283-L286 WeakPolarHBondContact O-CB 3.09Å; E283-L286 PolarHBondContact O-N 3.49Å; E283-L286 VanDerWaalsContact O-N 3.08Å; W284-L286 PolarHBondContact O-N 2.91Å; L286-N291 WeakPolarHBondContact O-CB 3.29Å
287F95.1Very high93.4Very high17 Ų1754.9 Ų54.98%0.07528%0.275CS..THydrogen-bonded Turntrans-103.314.5-176.5-50.9-65.8000113.3H195 G199 L203 L279 E283 W284 S285 I292 A499H195-F287 AromaticContact CE1-CD1 3.81Å; H195-F287 AromaticContact ND1-CD1 3.71Å; H195-F287 AromaticContact ND1-CE1 3.74Å; G199-F287 WeakPolarHBondContact O-CZ 3.44Å; L203-F287 HydrophobicContact CD1-CE1 3.68Å; L203-F287 HydrophobicContact CD1-CZ 4.09Å; L203-F287 HydrophobicContact CD2-CE1 3.87Å; L203-F287 HydrophobicContact CD2-CE2 4.16Å; L203-F287 HydrophobicContact CD2-CZ 3.68Å; L203-F287 HydrophobicContact CG-CE1 3.66Å; L203-F287 HydrophobicContact CG-CE2 4.42Å; L203-F287 HydrophobicContact CG-CZ 3.52Å; L279-F287 HydrophobicContact CD1-CD2 3.76Å; L279-F287 HydrophobicContact CD1-CE2 3.59Å; L279-F287 HydrophobicContact CD2-CE2 4.15Å; L279-F287 HydrophobicContact CG-CE2 4.49Å; E283-F287 VanDerWaalsContact O-CD2 3.24Å; E283-F287 WeakPolarHBondContact O-CD2 3.3Å; E283-F287 WeakPolarHBondContact O-CE2 3.36Å; W284-F287 PolarHBondContact O-N 3.42Å; S285-F287 PolarHBondContact O-N 3Å; F287-I292 HydrophobicContact CB-CD1 4.09Å; F287-I292 WeakPolarHBondContact O-CD1 3.26Å; F287-A499 HydrophobicContact CB-CB 4.01Å; F287-A499 HydrophobicContact CD1-CB 3.66Å; F287-A499 HydrophobicContact CE1-CB 4.47Å; F287-A499 HydrophobicContact CG-CB 3.95Å
288H92.3Very high92.7Very high97 Ų9758.3 Ų58.345%0.44928%0.284SS..SBendtrans-62.9146.4165.2-69.8128.7000110.7S285 S290 N291 I292S285-H288 PolarHBondContact O-ND1 3.31Å; H288-S290 PolarHBondContact O-N 3.48Å; H288-S290 VanDerWaalsContact O-N 3.08Å; H288-N291 PolarHBondContact O-N 3.43Å; H288-I292 PolarHBondContact O-N 2.99Å
289R89.9Confident91.6Very high190 Ų19065.7 Ų65.772%0.71732%0.323SS*.G310 helixtrans-53-36-176.3-173.9175.7-176.5-173.4-1.5113.5N291 H496R289-N291 PolarHBondContact O-N 3.23Å; R289-H496 HydrophobicContact CG-CB 4.36Å
290S91.1Very high90.8Very high90 Ų9068.1 Ų68.163%0.62933%0.333SS*.G310 helixtrans-66.4-18.3177.8570000114.3H288 V294H288-S290 PolarHBondContact O-N 3.48Å; H288-S290 VanDerWaalsContact O-N 3.08Å; S290-V294 VanDerWaalsContact O-CG2 3.28Å; S290-V294 WeakPolarHBondContact O-CG2 3.38Å
291N92.6Very high90.2Very high51 Ų5171.1 Ų71.127%0.27335%0.35SS..G310 helixtrans-108.7-5.8-173.2-60.7-15.1000112.7S285 L286 H288 R289S285-N291 PolarHBondContact O-ND2 3.37Å; L286-N291 WeakPolarHBondContact O-CB 3.29Å; H288-N291 PolarHBondContact O-N 3.43Å; R289-N291 PolarHBondContact O-N 3.23Å
292I94.8Very high89.9Confident5 Ų565.9 Ų65.93%0.02633%0.334CS..SBendtrans-106.1127.8-179.8-56.7173.4000110I194 F287 H288 I495 H496 A499I194-I292 HydrophobicContact CG2-CG2 4.41Å; I194-I292 WeakPolarHBondContact O-CG2 3.48Å; F287-I292 HydrophobicContact CB-CD1 4.09Å; F287-I292 WeakPolarHBondContact O-CD1 3.26Å; H288-I292 PolarHBondContact O-N 2.99Å; I292-I495 HydrophobicContact CG2-CG2 3.43Å; I292-I495 VanDerWaalsContact CG2-CG2 3.43Å; I292-H496 PolarHBondContact O-CE1 3.24Å; I292-A499 HydrophobicContact CD1-CB 4.18Å
293G95.4Very high89.9Confident19 Ų1961.1 Ų61.120%0.19631%0.312CS..SBendtrans69.840.9174.900000112.3L193 I194L193-G293 CarbonylContact O-C 3.53Å; L193-G293 WeakPolarHBondContact O-CA 3.45Å; L193-G293 PolarHBondContact O-N 3.3Å; I194-G293 PolarHBondContact O-N 2.89Å
294V96.1Very high89.9Confident41 Ų4163 Ų6325%0.24832%0.321CS..EExtended strand (participates in β ladder)trans-82.5127.7-178.2-170.70000109.6A109 L193 S290 M296A109-V294 HydrophobicContact CB-CB 3.77Å; A109-V294 HydrophobicContact CB-CG1 3.55Å; L193-V294 PolarHBondContact N-O 3.03Å; L193-V294 PolarHBondContact O-N 3.43Å; S290-V294 VanDerWaalsContact O-CG2 3.28Å; S290-V294 WeakPolarHBondContact O-CG2 3.38Å; V294-M296 PolarHBondContact O-N 3.16Å
295E95.8Very high90.1Very high54 Ų5458 Ų5825%0.25230%0.302SS..EExtended strand (participates in β ladder)trans-65.8125.5178.3-177.160.4-105.400111S190 L191 L192 M297S190-E295 WeakPolarHBondContact CB-OE2 3.36Å; S190-E295 PolarHBondContact OG-OE2 3.11Å; L191-E295 PolarHBondContact N-OE1 3.49Å; L192-E295 HydrophobicContact CD2-CB 4.11Å; L192-E295 WeakPolarHBondContact CD2-OE2 3.47Å; E295-M297 WeakPolarHBondContact CG-O 3.26Å; E295-M297 PolarHBondContact OE1-N 3.34Å
296M94.9Very high90.2Very high9 Ų959 Ų594%0.04431%0.307CS..  trans-95.6-25179.3-55.7-174.681.600111.7A109 S112 L133 V135 L150 L191 L193 V294 K298A109-M296 HydrophobicContact CB-CG 3.8Å; S112-M296 WeakPolarHBondContact OG-CE 2.99Å; L133-M296 HydrophobicContact CD1-CE 3.83Å; L133-M296 HydrophobicContact CD1-SD 4.27Å; L133-M296 HydrophobicContact CD2-CE 4.07Å; L133-M296 HydrophobicContact CD2-SD 4.07Å; L133-M296 HydrophobicContact CG-CE 4.44Å; V135-M296 HydrophobicContact CG1-CE 4.07Å; L150-M296 HydrophobicContact CD2-SD 3.74Å; L191-M296 HydrophobicContact CG-CB 4.41Å; L191-M296 HydrophobicContact CG-SD 4.41Å; L191-M296 WeakPolarHBondContact O-CB 3.38Å; L191-M296 WeakPolarHBondContact O-CG 3.48Å; L191-M296 PolarHBondContact O-N 2.78Å; L193-M296 HydrophobicContact CB-CG 3.97Å; L193-M296 HydrophobicContact CB-SD 3.8Å; V294-M296 PolarHBondContact O-N 3.16Å; M296-K298 PolarHBondContact O-N 3.43Å
297M87.5Confident90Very high12 Ų1263 Ų636%0.05933%0.333CS..  trans-94.493.2177.2-70.2-173.4-4500110.2A114 I131 L189 L191 E295 F300A114-M297 HydrophobicContact CB-CG 3.84Å; A114-M297 HydrophobicContact CB-SD 4.42Å; I131-M297 HydrophobicContact CD1-SD 3.79Å; L189-M297 HydrophobicContact CB-CE 3.41Å; L189-M297 VanDerWaalsContact CB-CE 3.41Å; L189-M297 HydrophobicContact CB-SD 4.26Å; L189-M297 WeakPolarHBondContact O-CE 3.26Å; L191-M297 HydrophobicContact CB-CE 3.64Å; L191-M297 HydrophobicContact CB-CG 3.9Å; L191-M297 HydrophobicContact CB-SD 3.97Å; L191-M297 HydrophobicContact CD2-CG 4.44Å; E295-M297 WeakPolarHBondContact CG-O 3.26Å; E295-M297 PolarHBondContact OE1-N 3.34Å; M297-F300 HydrophobicContact CB-CD2 3.62Å; M297-F300 HydrophobicContact CB-CE2 3.9Å; M297-F300 HydrophobicContact CB-CG 4.42Å; M297-F300 HydrophobicContact CG-CD2 3.96Å; M297-F300 HydrophobicContact CG-CE2 3.76Å; M297-F300 HydrophobicContact CG-CZ 4.38Å; M297-F300 HydrophobicContact SD-CD2 4.46Å; M297-F300 HydrophobicContact SD-CE2 4.35Å; M297-F300 HydrophobicContact SD-CZ 4.5Å
298K76.6Confident89.6Confident116 Ų11664.4 Ų64.450%0.50435%0.345SS..  trans-95.7136.4171.9-63.2-179.7-175.8173.20109.7T110 M296 F300T110-K298 PolarHBondContact OG1-NZ 2.92Å; M296-K298 PolarHBondContact O-N 3.43Å; K298-F300 PolarHBondContact O-N 3.13Å
299N70.5Confident88.7Confident168 Ų16868.3 Ų68.390%0.89837%0.369SS*.SBendtrans61.331.1172.1-52.8-26.6000116
300F78.6Confident87.6Confident66 Ų6665 Ų6529%0.28936%0.36SS..PPolyproline II helixtrans-72.4132.5172.1-92.2-98.5000111.5A114 I116 M297 K298A114-F300 HydrophobicContact CB-CE2 3.93Å; A114-F300 HydrophobicContact CB-CZ 3.78Å; A114-F300 WeakPolarHBondContact O-CZ 3.23Å; I116-F300 HydrophobicContact CD1-CD1 3.95Å; I116-F300 HydrophobicContact CD1-CE1 3.91Å; I116-F300 HydrophobicContact CG1-CD1 4.44Å; I116-F300 HydrophobicContact CG1-CE1 3.93Å; M297-F300 HydrophobicContact CB-CD2 3.62Å; M297-F300 HydrophobicContact CB-CE2 3.9Å; M297-F300 HydrophobicContact CB-CG 4.42Å; M297-F300 HydrophobicContact CG-CD2 3.96Å; M297-F300 HydrophobicContact CG-CE2 3.76Å; M297-F300 HydrophobicContact CG-CZ 4.38Å; M297-F300 HydrophobicContact SD-CD2 4.46Å; M297-F300 HydrophobicContact SD-CE2 4.35Å; M297-F300 HydrophobicContact SD-CZ 4.5Å; K298-F300 PolarHBondContact O-N 3.13Å
301T80.6Confident86.2Confident111 Ų11165.8 Ų65.868%0.68137%0.365SS*.PPolyproline II helixtrans-64.3136170.6420000110V303T301-V303 PolarHBondContact O-N 3.4Å
302P86.2Confident84.8Confident72 Ų7270.3 Ų70.347%0.46839%0.385SS..PPolyproline II helixtrans-53.2140.8172.9-25.334.2000111.3Q186 I187Q186-P302 HydrophobicContact CB-CB 4.38Å; Q186-P302 HydrophobicContact CG-CB 4.49Å; I187-P302 WeakPolarHBondContact O-CA 3.36Å
303V92.4Very high83.5Confident7 Ų776.6 Ų76.64%0.04242%0.419CS..EExtended strand (participates in β ladder)trans-88.7122.8176.7175.30000108.6I116 Y123 L129 Q186 I187 L189 T301 V305I116-V303 HydrophobicContact CD1-CG2 4.49Å; Y123-V303 HydrophobicContact CD2-CG1 3.38Å; Y123-V303 HydrophobicContact CE2-CG1 3.67Å; Y123-V303 HydrophobicContact CG-CG1 4.13Å; L129-V303 HydrophobicContact CD2-CG2 3.92Å; Q186-V303 WeakPolarHBondContact CA-O 3.43Å; I187-V303 HydrophobicContact CB-CB 4.4Å; I187-V303 PolarHBondContact N-O 3.03Å; I187-V303 PolarHBondContact O-N 3.23Å; L189-V303 HydrophobicContact CD1-CG2 3.93Å; L189-V303 HydrophobicContact CG-CG2 4.48Å; T301-V303 PolarHBondContact O-N 3.4Å; V303-V305 HydrophobicContact CG1-CG2 4.23Å
304E95.8Very high81.8Confident65 Ų6583.8 Ų83.830%0.30445%0.451SS..EExtended strand (participates in β ladder)trans-87.6125.1176.3-172.859.7-146.800110.5T122 Y123 Q186 V306T122-E304 HydrophobicContact CG2-CB 4.37Å; T122-E304 HydrophobicContact CG2-CG 4.21Å; Y123-E304 PolarHBondContact N-O 2.69Å; Q186-E304 WeakPolarHBondContact CG-OE2 3.49Å; E304-V306 HydrophobicContact CG-CG1 4.44Å
305V96.1Very high81Confident1 Ų186.2 Ų86.21%0.00646%0.458CS..EExtended strand (participates in β ladder)trans-115.8121.2179.2-1740000110.9Y123 R125 L181 W183 E184 G185 I187 V303Y123-V305 CarbonylContact O-C 3.54Å; Y123-V305 VanDerWaalsContact O-CA 3.28Å; Y123-V305 WeakPolarHBondContact O-CA 3.36Å; R125-V305 HydrophobicContact CB-CG1 4.35Å; L181-V305 HydrophobicContact CB-CG1 4.32Å; L181-V305 HydrophobicContact CB-CG2 4.28Å; L181-V305 HydrophobicContact CD1-CG2 3.83Å; L181-V305 HydrophobicContact CG-CG2 4.43Å; W183-V305 WeakPolarHBondContact O-CB 3.17Å; W183-V305 WeakPolarHBondContact O-CG1 3.35Å; E184-V305 CarbonylContact C-O 3.52Å; E184-V305 WeakPolarHBondContact CA-O 3.38Å; G185-V305 PolarHBondContact N-O 2.85Å; G185-V305 PolarHBondContact O-N 2.84Å; G185-V305 VanDerWaalsContact O-N 3.15Å; I187-V305 HydrophobicContact CD1-CB 4.33Å; I187-V305 HydrophobicContact CD1-CG2 3.4Å; I187-V305 HydrophobicContact CG1-CG2 4.05Å; V303-V305 HydrophobicContact CG1-CG2 4.23Å
306V95.5Very high80.8Confident44 Ų4491.5 Ų91.527%0.26748%0.48SS..EExtended strand (participates in β ladder)trans-107.2155.4-177.7-630000111.7T122 Y123 R125 E304T122-V306 HydrophobicContact CG2-CG1 4.22Å; Y123-V306 WeakPolarHBondContact O-CG2 3.39Å; Y123-V306 PolarHBondContact O-N 3.01Å; R125-V306 PolarHBondContact N-O 3.03Å; E304-V306 HydrophobicContact CG-CG1 4.44Å
307P92.8Very high80.7Confident88 Ų8895 Ų9557%0.57150%0.499SS*.  trans-65.1137.5169.927.3-34.6000110.2E184E184-P307 HydrophobicContact CG-CB 4.46Å
308C86.1Confident81Confident46 Ų4694.5 Ų94.531%0.31150%0.497SS..  trans-132.9152.8173.3-63.80000110.2C124 K310C124-C308 WeakPolarHBondContact CA-SG 3.42Å; C124-C308 HydrophobicContact CB-CB 3.49Å; C124-C308 VanDerWaalsContact CB-CB 3.49Å; C124-C308 WeakPolarHBondContact CB-SG 3.46Å; C124-C308 WeakPolarHBondContact SG-CB 3.33Å; C124-C308 CovalentContact SG-SG 2.02Å; C124-C308 PolarHBondContact SG-SG 2.99Å; C308-K310 PolarHBondContact O-N 2.73Å
309N72.9Confident81.8Confident180 Ų18094.6 Ų94.696%0.96350%0.499SS*.  trans-71.465.2179.5-74.4-18.1000111.8
310K67.6Low82.9Confident119 Ų11987.6 Ų87.652%0.51746%0.461SS..  trans-102.6119.2166.7-73.1-178177.6176.90107.9D127 C308 E312D127-K310 IonicContact OD1-NZ 2.7Å; D127-K310 PolarHBondContact OD1-NZ 2.86Å; C308-K310 PolarHBondContact O-N 2.73Å; K310-E312 PolarHBondContact O-N 3.11Å
311S61Low83.5Confident107 Ų10786.4 Ų86.475%0.74847%0.468SS*.  trans-60.6122.1173.355.70000109.3N313S311-N313 PolarHBondContact O-N 3.4Å
312E64.8Low84Confident147 Ų14783.7 Ų83.769%0.68745%0.448SS*.  trans-67.6114.8168.5-73.6-166.9157.100108.7R125 K310 I314R125-E312 IonicContact CZ-OE1 3.58Å; R125-E312 IonicContact NH2-OE1 2.79Å; R125-E312 PolarHBondContact NH2-OE1 3.15Å; K310-E312 PolarHBondContact O-N 3.11Å; E312-I314 PolarHBondContact O-N 3.15Å
313N65.5Low84.2Confident137 Ų13789.8 Ų89.873%0.73347%0.467SS*.  trans-59.1128.3170.3-79.3-25000109S311 K315S311-N313 PolarHBondContact O-N 3.4Å; N313-K315 PolarHBondContact O-N 2.87Å
314I60.8Low84Confident169 Ų16991 Ų9187%0.86748%0.475SS*.  trans-60.8107.4176.4-60.8174000108E312E312-I314 PolarHBondContact O-N 3.15Å
315K79.5Confident83.8Confident93 Ų9390.7 Ų90.740%0.40448%0.478SS..PPolyproline II helixtrans-76.9136.6176.8-61-179.3-168.8177.60109.2N313 A339 K342N313-K315 PolarHBondContact O-N 2.87Å; K315-A339 WeakPolarHBondContact CE-O 3.43Å; K315-A339 PolarHBondContact NZ-O 3.35Å; K315-K342 HydrophobicContact CB-CB 4.3Å; K315-K342 WeakPolarHBondContact O-CB 3.28Å
316K90.5Very high83.5Confident164 Ų16495.1 Ų95.171%0.71350%0.497SS*.PPolyproline II helixtrans-60.1153.4168.2-66.5-177.5178.5-178.90109.7M322 C341 K342K316-M322 HydrophobicContact CB-CE 4.32Å; K316-C341 CarbonylContact O-C 3.55Å; K316-C341 WeakPolarHBondContact O-CA 3.39Å; K316-K342 PolarHBondContact O-N 2.73Å
317N92.6Very high83.5Confident82 Ų8293.3 Ų93.344%0.43949%0.486SS..BIsolated β-bridgetrans-57.3148.1172.5-68.5-11.9000110.2Q319 K342N317-Q319 PolarHBondContact O-N 3.11Å; N317-K342 WeakPolarHBondContact CA-O 3.49Å
318C93.8Very high83.6Confident3 Ų389.2 Ų89.22%0.0246%0.46CS..PPolyproline II helixtrans-60.3133.7177.4-60.40000110.6C341 K342 Q343 N556 Y557C318-C341 WeakPolarHBondContact CA-SG 3.48Å; C318-C341 HydrophobicContact CB-CB 3.82Å; C318-C341 WeakPolarHBondContact CB-SG 3.31Å; C318-C341 WeakPolarHBondContact SG-CB 3.4Å; C318-C341 CovalentContact SG-SG 2.03Å; C318-C341 PolarHBondContact SG-SG 2.84Å; C318-K342 PolarHBondContact N-O 3.17Å; C318-K342 VanDerWaalsContact N-O 3.13Å; C318-K342 PolarHBondContact SG-O 2.92Å; C318-K342 VanDerWaalsContact SG-O 3.4Å; C318-Q343 VanDerWaalsContact SG-CG 3.56Å; C318-N556 HydrophobicContact CB-CB 4.08Å; C318-Y557 HydrophobicContact CB-CD1 4.5Å; C318-Y557 HydrophobicContact CB-CE1 4.29Å
319Q93.6Very high84.1Confident118 Ų11887 Ų8755%0.55145%0.445SS*.  trans-144.6157.1-179.4-68178.8-8.800109.2N317 M322 Y557N317-Q319 PolarHBondContact O-N 3.11Å; Q319-M322 HydrophobicContact CB-CG 4.29Å; Q319-M322 HydrophobicContact CB-SD 4.23Å; Q319-M322 PolarHBondContact N-SD 3.24Å; Q319-M322 VanDerWaalsContact O-CG 3.26Å; Q319-M322 WeakPolarHBondContact O-CG 3.19Å; Q319-Y557 WeakPolarHBondContact O-CE1 3.47Å
320I93.8Very high85.3Confident21 Ų2180 Ų8011%0.10841%0.406CS..THydrogen-bonded Turntrans-63.5153.5170.258.9163.9000110.9M322 K484 N522 Y557I320-M322 PolarHBondContact O-N 3.15Å; I320-K484 HydrophobicContact CD1-CD 3.5Å; I320-K484 HydrophobicContact CG1-CD 4.26Å; I320-N522 PolarHBondContact O-OD1 2.87Å; I320-Y557 HydrophobicContact CG2-CD1 4.35Å; I320-Y557 HydrophobicContact CG2-CG 4.11Å
321G91.6Very high86.7Confident41 Ų4174.5 Ų74.542%0.42338%0.382SS..THydrogen-bonded Turntrans77.3-0.8-178.800000115.1N522 V523G321-N522 VanDerWaalsContact CA-OD1 3.26Å; G321-N522 WeakPolarHBondContact CA-OD1 3.3Å; G321-N522 PolarHBondContact N-OD1 2.85Å; G321-V523 PolarHBondContact N-O 3.08Å
322M91.4Very high88.3Confident53 Ų5371.5 Ų71.526%0.26136%0.357SS..PPolyproline II helixtrans-70.7134.1173.9-67.3-174.898.500111.2K316 Q319 I320 T324 F340 C341K316-M322 HydrophobicContact CB-CE 4.32Å; Q319-M322 HydrophobicContact CB-CG 4.29Å; Q319-M322 HydrophobicContact CB-SD 4.23Å; Q319-M322 PolarHBondContact N-SD 3.24Å; Q319-M322 VanDerWaalsContact O-CG 3.26Å; Q319-M322 WeakPolarHBondContact O-CG 3.19Å; I320-M322 PolarHBondContact O-N 3.15Å; M322-T324 PolarHBondContact O-N 3.13Å; M322-F340 HydrophobicContact CB-CD2 4.24Å; M322-F340 HydrophobicContact CB-CE2 4.11Å; M322-F340 HydrophobicContact SD-CD2 4.44Å; M322-F340 HydrophobicContact SD-CE2 4.44Å; M322-C341 HydrophobicContact CE-CB 4.01Å; M322-C341 HydrophobicContact SD-CB 3.85Å
323K89.4Confident89.7Confident201 Ų20171.7 Ų71.787%0.87436%0.356SS*.PPolyproline II helixtrans-66121.9172.1-67.9-172.5178.8-175.60110.3
324T88.6Confident90.9Very high33 Ų3370.2 Ų70.220%0.20234%0.343CS..PPolyproline II helixtrans-88.7121177.9-46.60000110.2M322 F340M322-T324 PolarHBondContact O-N 3.13Å; T324-F340 HydrophobicContact CG2-CD1 4.16Å; T324-F340 HydrophobicContact CG2-CE1 3.74Å; T324-F340 HydrophobicContact CG2-CZ 4.21Å
325P91.4Very high92.5Very high58 Ų5865.2 Ų65.238%0.37732%0.316SS..PPolyproline II helixtrans-73.3172.4172.633.9-36.1000110.7P327 S328 A339 F340P325-P327 CarbonylContact C-O 3.56Å; P325-P327 CarbonylContact O-C 3.49Å; P325-P327 VanDerWaalsContact O-C 3.27Å; P325-S328 VanDerWaalsContact O-CA 3.27Å; P325-S328 WeakPolarHBondContact O-CA 3.48Å; P325-S328 PolarHBondContact O-N 2.93Å; P325-A339 HydrophobicContact CG-CB 4.17Å; P325-F340 VanDerWaalsContact CD-CB 3.43Å; P325-F340 HydrophobicContact CG-CB 3.84Å; P325-F340 HydrophobicContact CG-CD1 4.23Å; P325-F340 HydrophobicContact CG-CG 4.4Å
326F91.2Very high93.3Very high93 Ų9361.3 Ų61.341%0.40830%0.299SS..SBendtrans-116.8127.7169.5-170.8-80.1000110.5S164 K166S164-F326 WeakPolarHBondContact OG-CZ 3.3Å; K166-F326 HydrophobicContact CB-CD1 3.76Å; K166-F326 HydrophobicContact CB-CE1 3.91Å; K166-F326 HydrophobicContact CG-CD1 3.99Å; K166-F326 HydrophobicContact CG-CE1 4.36Å
327P95.3Very high93.5Very high6 Ų656 Ų564%0.03928%0.278CS..SBendcis-64.6153.7-10.629.6-35.4000111.3S164 F182 P325 G329 D530S164-P327 WeakPolarHBondContact OG-CB 3.49Å; F182-P327 HydrophobicContact CE2-CG 3.6Å; F182-P327 HydrophobicContact CZ-CG 3.75Å; P325-P327 CarbonylContact C-O 3.56Å; P325-P327 CarbonylContact O-C 3.49Å; P325-P327 VanDerWaalsContact O-C 3.27Å; P327-G329 PolarHBondContact O-N 3.24Å; P327-D530 WeakPolarHBondContact CB-OD2 3.42Å
328S95.3Very high93.6Very high3 Ų352.2 Ų52.22%0.02126%0.258CS..  trans-71.6-19.9178.766.50000112.5P325 W336 A339 F340 D527 D530P325-S328 VanDerWaalsContact O-CA 3.27Å; P325-S328 WeakPolarHBondContact O-CA 3.48Å; P325-S328 PolarHBondContact O-N 2.93Å; S328-W336 VanDerWaalsContact OG-CZ2 3.28Å; S328-W336 WeakPolarHBondContact OG-CZ2 3.39Å; S328-A339 PolarHBondContact O-N 2.9Å; S328-F340 WeakPolarHBondContact O-CD1 3.49Å; S328-D527 WeakPolarHBondContact OG-CB 3.48Å; S328-D530 WeakPolarHBondContact CA-OD2 3.27Å; S328-D530 WeakPolarHBondContact CB-OD2 3.42Å; S328-D530 PolarHBondContact N-OD2 3.03Å; S328-D530 PolarHBondContact OG-OD2 3.34Å
329G96Very high93.5Very high0 Ų053.1 Ų53.10%027%0.266CS..EExtended strand (participates in β ladder)trans178.1-160.9178.200000112.7P327 I337 D530P327-G329 PolarHBondContact O-N 3.24Å; G329-I337 CarbonylContact C-O 3.39Å; G329-I337 WeakPolarHBondContact CA-O 3.37Å; G329-D530 PolarHBondContact N-OD2 3.17Å
330Y97.4Very high93.4Very high32 Ų3249.1 Ų49.113%0.12525%0.247CC..EExtended strand (participates in β ladder)trans-150.2158.8179.761.2-77.7000110.7G162 F182 W183 L332 I337G162-Y330 CarbonylContact O-C 3.56Å; G162-Y330 WeakPolarHBondContact O-CA 3.48Å; G162-Y330 WeakPolarHBondContact O-CB 3.26Å; F182-Y330 HydrophobicContact CB-CD1 3.64Å; F182-Y330 HydrophobicContact CB-CD2 3.69Å; F182-Y330 HydrophobicContact CB-CE1 3.84Å; F182-Y330 HydrophobicContact CB-CE2 3.85Å; F182-Y330 HydrophobicContact CB-CG 3.57Å; F182-Y330 AromaticContact CD1-CD1 3.44Å; F182-Y330 HydrophobicContact CD1-CD1 3.44Å; F182-Y330 VanDerWaalsContact CD1-CD1 3.44Å; F182-Y330 AromaticContact CD1-CE1 3.59Å; F182-Y330 HydrophobicContact CD1-CE1 3.59Å; F182-Y330 HydrophobicContact CD1-CG 4.19Å; F182-Y330 AromaticContact CD2-CD1 3.81Å; F182-Y330 HydrophobicContact CD2-CD1 3.81Å; F182-Y330 AromaticContact CD2-CG 3.82Å; F182-Y330 HydrophobicContact CD2-CG 3.82Å; F182-Y330 AromaticContact CE1-CD1 3.97Å; F182-Y330 HydrophobicContact CE1-CD1 3.97Å; F182-Y330 HydrophobicContact CE1-CE1 4.31Å; F182-Y330 HydrophobicContact CE2-CD1 4.3Å; F182-Y330 AromaticContact CG-CD1 3.35Å; F182-Y330 HydrophobicContact CG-CD1 3.35Å; F182-Y330 HydrophobicContact CG-CD2 4.26Å; F182-Y330 AromaticContact CG-CE1 3.81Å; F182-Y330 HydrophobicContact CG-CE1 3.81Å; F182-Y330 AromaticContact CG-CG 3.61Å; F182-Y330 HydrophobicContact CG-CG 3.61Å; F182-Y330 HydrophobicContact CZ-CD1 4.37Å; W183-Y330 AromaticContact CE3-CD2 3.79Å; W183-Y330 HydrophobicContact CE3-CD2 3.79Å; W183-Y330 HydrophobicContact CE3-CE2 4.39Å; W183-Y330 HydrophobicContact CE3-CG 4.45Å; W183-Y330 HydrophobicContact CZ3-CD2 4.15Å; W183-Y330 HydrophobicContact CZ3-CG 4.47Å; Y330-L332 HydrophobicContact CD2-CB 4.22Å; Y330-L332 HydrophobicContact CE2-CB 4.06Å; Y330-L332 HydrophobicContact CE2-CD2 4.42Å; Y330-I337 HydrophobicContact CD1-CB 4.21Å; Y330-I337 HydrophobicContact CD1-CG2 4.49Å; Y330-I337 WeakPolarHBondContact CD1-O 3.28Å; Y330-I337 HydrophobicContact CD2-CB 4.45Å; Y330-I337 HydrophobicContact CE1-CB 3.78Å; Y330-I337 HydrophobicContact CE1-CG2 3.65Å; Y330-I337 HydrophobicContact CE2-CB 4.08Å; Y330-I337 HydrophobicContact CE2-CD1 3.77Å; Y330-I337 HydrophobicContact CE2-CG1 4.41Å; Y330-I337 HydrophobicContact CE2-CG2 4.46Å; Y330-I337 PolarHBondContact N-O 2.83Å; Y330-I337 PolarHBondContact O-N 3.2Å
331T97.1Very high93.4Very high3 Ų348.3 Ų48.32%0.01824%0.243CC..EExtended strand (participates in β ladder)trans-93140.9166.5176.30000110.3M160 A161 G162 M335 A534 Y535M160-T331 PolarHBondContact O-OG1 3.41Å; A161-T331 CarbonylContact C-O 3.59Å; A161-T331 WeakPolarHBondContact CA-O 3.16Å; A161-T331 WeakPolarHBondContact CB-O 3.35Å; G162-T331 VanDerWaalsContact N-CG2 3.32Å; G162-T331 PolarHBondContact N-O 3.31Å; G162-T331 WeakPolarHBondContact O-CG2 3.46Å; G162-T331 PolarHBondContact O-N 3.23Å; T331-M335 CarbonylContact C-O 3.6Å; T331-M335 VanDerWaalsContact CA-O 3.26Å; T331-M335 WeakPolarHBondContact CA-O 3.29Å; T331-A534 HydrophobicContact CG2-CB 4.19Å; T331-Y535 HydrophobicContact CG2-CD1 3.9Å; T331-Y535 HydrophobicContact CG2-CE1 4.04Å; T331-Y535 HydrophobicContact CG2-CG 4.44Å; T331-Y535 WeakPolarHBondContact OG1-CE1 3.32Å
332L95.8Very high93.4Very high44 Ų4452.3 Ų52.323%0.2325%0.249CC..EExtended strand (participates in β ladder)trans-143.9129.6168.118062.2000108.3L159 A161 W183 Y330 K334 M335 I337L159-L332 HydrophobicContact CB-CD1 4.15Å; A161-L332 HydrophobicContact CB-CD1 3.81Å; W183-L332 HydrophobicContact CB-CD1 4.36Å; W183-L332 HydrophobicContact CG-CD1 4.49Å; Y330-L332 HydrophobicContact CD2-CB 4.22Å; Y330-L332 HydrophobicContact CE2-CB 4.06Å; Y330-L332 HydrophobicContact CE2-CD2 4.42Å; L332-K334 PolarHBondContact O-N 2.73Å; L332-M335 PolarHBondContact N-O 3.14Å; L332-M335 PolarHBondContact O-N 2.83Å; L332-I337 HydrophobicContact CB-CD1 3.9Å; L332-I337 HydrophobicContact CD2-CD1 4.22Å
333K94.2Very high93.3Very high152 Ų15251.9 Ų51.966%0.66125%0.246SC*.THydrogen-bonded Turntrans51.441.3-176.3-59.9178.4179.4-1790112.5L159 M335L159-K333 WeakPolarHBondContact O-CA 3.48Å; L159-K333 PolarHBondContact O-N 3.35Å; K333-M335 PolarHBondContact O-N 2.81Å
334K90Very high93.2Very high106 Ų10646 Ų4646%0.46122%0.223SC..THydrogen-bonded Turntrans63.44.8-174.4-67174.4170164.80116.3M160 L332 Y535 N549M160-K334 HydrophobicContact CB-CG 4.03Å; M160-K334 HydrophobicContact CG-CG 4.37Å; M160-K334 HydrophobicContact SD-CD 3.66Å; M160-K334 WeakPolarHBondContact SD-CE 3.29Å; M160-K334 HydrophobicContact SD-CG 3.66Å; L332-K334 PolarHBondContact O-N 2.73Å; K334-Y535 PolarHBondContact O-OH 3.48Å; K334-N549 PolarHBondContact O-ND2 3.4Å
335M93.9Very high93Very high63 Ų6351 Ų5131%0.3124%0.242SC..EExtended strand (participates in β ladder)trans-98.4138.3175.3-63.2-174.368.100111T331 L332 K333 K345T331-M335 CarbonylContact C-O 3.6Å; T331-M335 VanDerWaalsContact CA-O 3.26Å; T331-M335 WeakPolarHBondContact CA-O 3.29Å; L332-M335 PolarHBondContact N-O 3.14Å; L332-M335 PolarHBondContact O-N 2.83Å; K333-M335 PolarHBondContact O-N 2.81Å; M335-K345 HydrophobicContact CE-CD 4Å; M335-K345 HydrophobicContact CE-CG 4.12Å
336W96Very high92.6Very high11 Ų1149.4 Ų49.44%0.04223%0.229CC..EExtended strand (participates in β ladder)trans-80.9125.6172.7179.9-105.6000110.5S328 Q343 D530 M531 A534 Y535 N549S328-W336 VanDerWaalsContact OG-CZ2 3.28Å; S328-W336 WeakPolarHBondContact OG-CZ2 3.39Å; W336-Q343 PolarHBondContact O-NE2 3.02Å; W336-Q343 PolarHBondContact O-OE1 3.47Å; W336-D530 HydrophobicContact CH2-CB 4.45Å; W336-M531 HydrophobicContact CB-CE 3.9Å; W336-M531 HydrophobicContact CD2-CE 4.07Å; W336-M531 HydrophobicContact CD2-CG 3.69Å; W336-M531 HydrophobicContact CD2-SD 4.44Å; W336-M531 HydrophobicContact CE3-CB 4.31Å; W336-M531 HydrophobicContact CE3-CG 3.77Å; W336-M531 HydrophobicContact CG-CE 3.76Å; W336-M531 HydrophobicContact CG-CG 4.34Å; W336-M531 HydrophobicContact CH2-CG 3.88Å; W336-M531 HydrophobicContact CZ2-CG 3.82Å; W336-M531 HydrophobicContact CZ3-CB 4.26Å; W336-M531 HydrophobicContact CZ3-CG 3.87Å; W336-A534 HydrophobicContact CZ3-CB 3.8Å; W336-Y535 HydrophobicContact CE3-CE2 4.44Å; W336-Y535 PolarHBondContact N-OH 2.84Å; W336-N549 HydrophobicContact CB-CB 3.71Å; W336-N549 WeakPolarHBondContact CB-OD1 3.46Å; W336-N549 PolarHBondContact N-OD1 3.23Å
337I95Very high91.5Very high52 Ų5250 Ų5027%0.26724%0.237SC..EExtended strand (participates in β ladder)trans-118.1120.9178.8-55.4176.7000108.6G329 Y330 L332 Q343G329-I337 CarbonylContact C-O 3.39Å; G329-I337 WeakPolarHBondContact CA-O 3.37Å; Y330-I337 HydrophobicContact CD1-CB 4.21Å; Y330-I337 HydrophobicContact CD1-CG2 4.49Å; Y330-I337 WeakPolarHBondContact CD1-O 3.28Å; Y330-I337 HydrophobicContact CD2-CB 4.45Å; Y330-I337 HydrophobicContact CE1-CB 3.78Å; Y330-I337 HydrophobicContact CE1-CG2 3.65Å; Y330-I337 HydrophobicContact CE2-CB 4.08Å; Y330-I337 HydrophobicContact CE2-CD1 3.77Å; Y330-I337 HydrophobicContact CE2-CG1 4.41Å; Y330-I337 HydrophobicContact CE2-CG2 4.46Å; Y330-I337 PolarHBondContact N-O 2.83Å; Y330-I337 PolarHBondContact O-N 3.2Å; L332-I337 HydrophobicContact CB-CD1 3.9Å; L332-I337 HydrophobicContact CD2-CD1 4.22Å; I337-Q343 VanDerWaalsContact CA-OE1 3.26Å
338T94.3Very high90.4Very high3 Ų355.5 Ų55.52%0.01826%0.262CS..EExtended strand (participates in β ladder)trans-75.4141.4-179.751.40000112.4F340 C341 Q343 M553T338-F340 VanDerWaalsContact C-N 3.34Å; T338-F340 HydrophobicContact CG2-CE1 3.99Å; T338-F340 HydrophobicContact CG2-CZ 4.36Å; T338-F340 PolarHBondContact O-N 3.05Å; T338-C341 PolarHBondContact OG1-O 2.98Å; T338-C341 PolarHBondContact OG1-SG 2.94Å; T338-Q343 VanDerWaalsContact CG2-CD 3.48Å; T338-Q343 HydrophobicContact CG2-CG 3.88Å; T338-Q343 WeakPolarHBondContact OG1-CG 3.41Å; T338-Q343 PolarHBondContact OG1-OE1 3.45Å; T338-M553 HydrophobicContact CG2-CE 3.57Å; T338-M553 HydrophobicContact CG2-SD 3.3Å; T338-M553 WeakPolarHBondContact CG2-SD 3.5Å
339A92.7Very high89.4Confident23 Ų2358.6 Ų58.619%0.1928%0.281CS..SBendtrans-77.1-18177.300000113.4F182 K315 P325 S328F182-A339 HydrophobicContact CE1-CB 4.14Å; F182-A339 HydrophobicContact CZ-CB 4.3Å; K315-A339 WeakPolarHBondContact CE-O 3.43Å; K315-A339 PolarHBondContact NZ-O 3.35Å; P325-A339 HydrophobicContact CG-CB 4.17Å; S328-A339 PolarHBondContact O-N 2.9Å
340F91.9Very high88.6Confident34 Ų3465.1 Ų65.115%0.14931%0.309CS..SBendtrans-121.8-12.7-16462.7-83.2000116.4M322 T324 P325 S328 T338M322-F340 HydrophobicContact CB-CD2 4.24Å; M322-F340 HydrophobicContact CB-CE2 4.11Å; M322-F340 HydrophobicContact SD-CD2 4.44Å; M322-F340 HydrophobicContact SD-CE2 4.44Å; T324-F340 HydrophobicContact CG2-CD1 4.16Å; T324-F340 HydrophobicContact CG2-CE1 3.74Å; T324-F340 HydrophobicContact CG2-CZ 4.21Å; P325-F340 VanDerWaalsContact CD-CB 3.43Å; P325-F340 HydrophobicContact CG-CB 3.84Å; P325-F340 HydrophobicContact CG-CD1 4.23Å; P325-F340 HydrophobicContact CG-CG 4.4Å; S328-F340 WeakPolarHBondContact O-CD1 3.49Å; T338-F340 VanDerWaalsContact C-N 3.34Å; T338-F340 HydrophobicContact CG2-CE1 3.99Å; T338-F340 HydrophobicContact CG2-CZ 4.36Å; T338-F340 PolarHBondContact O-N 3.05Å
341C92.9Very high87.9Confident4 Ų466.5 Ų66.53%0.02732%0.319CS..SBendtrans-142.2166.9179.3600000111.3K316 C318 M322 T338K316-C341 CarbonylContact O-C 3.55Å; K316-C341 WeakPolarHBondContact O-CA 3.39Å; C318-C341 WeakPolarHBondContact CA-SG 3.48Å; C318-C341 HydrophobicContact CB-CB 3.82Å; C318-C341 WeakPolarHBondContact CB-SG 3.31Å; C318-C341 WeakPolarHBondContact SG-CB 3.4Å; C318-C341 CovalentContact SG-SG 2.03Å; C318-C341 PolarHBondContact SG-SG 2.84Å; M322-C341 HydrophobicContact CE-CB 4.01Å; M322-C341 HydrophobicContact SD-CB 3.85Å; T338-C341 PolarHBondContact OG1-O 2.98Å; T338-C341 PolarHBondContact OG1-SG 2.94Å
342K91.6Very high87.6Confident124 Ų12467.1 Ų67.154%0.53932%0.322SS..BIsolated β-bridgetrans-88.9115.5172.4-177.9179.8179.2-177.60108.8K315 K316 N317 C318K315-K342 HydrophobicContact CB-CB 4.3Å; K315-K342 WeakPolarHBondContact O-CB 3.28Å; K316-K342 PolarHBondContact O-N 2.73Å; N317-K342 WeakPolarHBondContact CA-O 3.49Å; C318-K342 PolarHBondContact N-O 3.17Å; C318-K342 VanDerWaalsContact N-O 3.13Å; C318-K342 PolarHBondContact SG-O 2.92Å; C318-K342 VanDerWaalsContact SG-O 3.4Å
343Q89.6Confident87.2Confident44 Ų4465.8 Ų65.821%0.20632%0.315CS..  trans-87.2139.9176-68.7162.1-68.100111.6C318 W336 I337 T338 M553 N556C318-Q343 VanDerWaalsContact SG-CG 3.56Å; W336-Q343 PolarHBondContact O-NE2 3.02Å; W336-Q343 PolarHBondContact O-OE1 3.47Å; I337-Q343 VanDerWaalsContact CA-OE1 3.26Å; T338-Q343 VanDerWaalsContact CG2-CD 3.48Å; T338-Q343 HydrophobicContact CG2-CG 3.88Å; T338-Q343 WeakPolarHBondContact OG1-CG 3.41Å; T338-Q343 PolarHBondContact OG1-OE1 3.45Å; Q343-M553 HydrophobicContact CG-SD 3.91Å; Q343-M553 PolarHBondContact NE2-SD 3.14Å; Q343-N556 VanDerWaalsContact CA-OD1 3.3Å; Q343-N556 WeakPolarHBondContact CA-OD1 3.43Å
344I87.6Confident87.1Confident77 Ų7762 Ų6240%0.39530%0.302SS..  trans-78.6133.8161.8-56.3172.9000108.2F346 N556I344-F346 HydrophobicContact CB-CE2 4.1Å; I344-F346 HydrophobicContact CB-CZ 4.39Å; I344-F346 HydrophobicContact CG2-CE2 4.25Å; I344-F346 HydrophobicContact CG2-CZ 4.25Å; I344-F346 WeakPolarHBondContact O-CD2 3.39Å; I344-N556 PolarHBondContact N-OD1 3.44Å; I344-N556 PolarHBondContact O-ND2 3.48Å
345K84.2Confident87.3Confident139 Ų13957.5 Ų57.560%0.60428%0.284SS*.  trans-87.6113.9177.9-68.2-177.8179.2-179.90110.4M335 N347M335-K345 HydrophobicContact CE-CD 4Å; M335-K345 HydrophobicContact CE-CG 4.12Å; K345-N347 VanDerWaalsContact C-N 3.32Å; K345-N347 PolarHBondContact O-N 3.4Å
346F81.9Confident87.4Confident24 Ų2454.5 Ų54.511%0.10527%0.269CS..  trans-90.265.6175-66.8-85.5000110.7I344 N351 I352 C355 L555 N556 C559I344-F346 HydrophobicContact CB-CE2 4.1Å; I344-F346 HydrophobicContact CB-CZ 4.39Å; I344-F346 HydrophobicContact CG2-CE2 4.25Å; I344-F346 HydrophobicContact CG2-CZ 4.25Å; I344-F346 WeakPolarHBondContact O-CD2 3.39Å; F346-N351 HydrophobicContact CD1-CB 4.1Å; F346-I352 HydrophobicContact CB-CG1 4.01Å; F346-I352 HydrophobicContact CD1-CG1 4.28Å; F346-C355 HydrophobicContact CE1-CB 3.88Å; F346-L555 HydrophobicContact CB-CD1 4.14Å; F346-L555 HydrophobicContact CD1-CB 4.29Å; F346-L555 HydrophobicContact CD1-CD1 3.86Å; F346-L555 HydrophobicContact CD2-CB 3.82Å; F346-L555 HydrophobicContact CD2-CD1 4.16Å; F346-L555 HydrophobicContact CE1-CB 4.01Å; F346-L555 HydrophobicContact CE1-CD1 4.31Å; F346-L555 HydrophobicContact CE2-CB 3.5Å; F346-L555 VanDerWaalsContact CE2-CB 3.5Å; F346-L555 HydrophobicContact CG-CB 4.21Å; F346-L555 HydrophobicContact CG-CD1 3.78Å; F346-L555 HydrophobicContact CZ-CB 3.6Å; F346-N556 WeakPolarHBondContact CE2-ND2 3.5Å; F346-C559 HydrophobicContact CZ-CB 4.37Å
347N69.6Low87.4Confident106 Ų10658.2 Ų58.257%0.56729%0.287SS*.  trans-85.2-23.5-177.6-69.8-2.4000113.2K345K345-N347 VanDerWaalsContact C-N 3.32Å; K345-N347 PolarHBondContact O-N 3.4Å
348E72.3Confident87.5Confident121 Ų12163 Ų6357%0.56530%0.302SS*.SBendtrans-108.9136.7-178-65.8178.2-163.800110.6K350 N351 I352E348-K350 PolarHBondContact O-N 2.97Å; E348-K350 VanDerWaalsContact O-N 3.15Å; E348-N351 PolarHBondContact O-N 3.22Å; E348-I352 PolarHBondContact O-N 3.37Å
349T74.3Confident87.7Confident69 Ų6964 Ų6442%0.42331%0.306SS..Hα-helixtrans-54.8-33.4175.7-570000112N351 I352 N353 A379 V380T349-N351 PolarHBondContact O-N 2.91Å; T349-I352 PolarHBondContact O-N 3.26Å; T349-N353 PolarHBondContact O-N 3.1Å; T349-A379 VanDerWaalsContact CG2-O 3.31Å; T349-A379 WeakPolarHBondContact CG2-O 3.47Å; T349-A379 PolarHBondContact OG1-O 3.41Å; T349-V380 HydrophobicContact CG2-CG2 4.37Å
350K78.1Confident88Confident136 Ų13665.9 Ų65.959%0.59131%0.312SS*.Hα-helixtrans-57.7-47176.2-173.9179.4176.4-173.80111.9E348 I352 N353 D354E348-K350 PolarHBondContact O-N 2.97Å; E348-K350 VanDerWaalsContact O-N 3.15Å; K350-I352 VanDerWaalsContact C-N 3.27Å; K350-I352 PolarHBondContact O-N 3.02Å; K350-N353 WeakPolarHBondContact O-CB 3.35Å; K350-N353 PolarHBondContact O-N 3.29Å; K350-N353 VanDerWaalsContact O-N 3.13Å; K350-D354 WeakPolarHBondContact O-CB 3.38Å; K350-D354 PolarHBondContact O-N 2.92Å
351N84Confident88.3Confident62 Ų6264.3 Ų64.333%0.33231%0.305SS..Hα-helixtrans-64.7-33.5180-62.2-10.3000112.1F346 E348 T349 C355F346-N351 HydrophobicContact CD1-CB 4.1Å; E348-N351 PolarHBondContact O-N 3.22Å; T349-N351 PolarHBondContact O-N 2.91Å; N351-C355 WeakPolarHBondContact O-CB 3.35Å; N351-C355 PolarHBondContact O-N 2.78Å; N351-C355 VanDerWaalsContact O-N 3.09Å
352I89.6Confident88.6Confident16 Ų1666.3 Ų66.38%0.08231%0.312CS..Hα-helixtrans-68.9-45.5174.2-58.7176.3000109.9F346 E348 T349 K350 C355 L356 V380 L555F346-I352 HydrophobicContact CB-CG1 4.01Å; F346-I352 HydrophobicContact CD1-CG1 4.28Å; E348-I352 PolarHBondContact O-N 3.37Å; T349-I352 PolarHBondContact O-N 3.26Å; K350-I352 VanDerWaalsContact C-N 3.27Å; K350-I352 PolarHBondContact O-N 3.02Å; I352-C355 PolarHBondContact O-N 3.36Å; I352-L356 HydrophobicContact CG2-CD1 3.74Å; I352-L356 HydrophobicContact CG2-CG 4.24Å; I352-L356 WeakPolarHBondContact O-CB 3.29Å; I352-L356 VanDerWaalsContact O-CG 3.24Å; I352-L356 WeakPolarHBondContact O-CG 3.31Å; I352-L356 PolarHBondContact O-N 2.81Å; I352-V380 HydrophobicContact CB-CG2 4.25Å; I352-V380 HydrophobicContact CG2-CG2 3.63Å; I352-L555 HydrophobicContact CB-CD1 4.38Å; I352-L555 HydrophobicContact CG1-CD1 3.9Å; I352-L555 HydrophobicContact CG2-CD1 4.02Å
353N88.2Confident88.9Confident15 Ų1560.4 Ų60.48%0.0829%0.287CS..Hα-helixtrans-61.6-45.9179.1-72.6-10.1000112.7T349 K350 C355 L356 E357 V380T349-N353 PolarHBondContact O-N 3.1Å; K350-N353 WeakPolarHBondContact O-CB 3.35Å; K350-N353 PolarHBondContact O-N 3.29Å; K350-N353 VanDerWaalsContact O-N 3.13Å; N353-C355 VanDerWaalsContact C-N 3.29Å; N353-C355 PolarHBondContact O-N 3.29Å; N353-L356 PolarHBondContact O-N 3.36Å; N353-E357 PolarHBondContact O-N 2.89Å; N353-V380 WeakPolarHBondContact OD1-CG1 3.41Å; N353-V380 WeakPolarHBondContact OD1-CG2 3.44Å
354D90.9Very high89.4Confident73 Ų7358.7 Ų58.739%0.3928%0.279SS..Hα-helixtrans-67.5-35.3-179.6-62.1-10.4000110.2K350 R404K350-D354 WeakPolarHBondContact O-CB 3.38Å; K350-D354 PolarHBondContact O-N 2.92Å; D354-R404 IonicContact OD1-NH1 3.94Å; D354-R404 PolarHBondContact OD1-NH1 3.11Å
355C94.6Very high89.8Confident11 Ų1155 Ų557%0.07426%0.26CS..Hα-helixtrans-67.1-38172.1175.70000112.4F346 N351 I352 N353 K359 C559F346-C355 HydrophobicContact CE1-CB 3.88Å; N351-C355 WeakPolarHBondContact O-CB 3.35Å; N351-C355 PolarHBondContact O-N 2.78Å; N351-C355 VanDerWaalsContact O-N 3.09Å; I352-C355 PolarHBondContact O-N 3.36Å; N353-C355 VanDerWaalsContact C-N 3.29Å; N353-C355 PolarHBondContact O-N 3.29Å; C355-K359 VanDerWaalsContact O-CD 3.25Å; C355-K359 WeakPolarHBondContact O-CD 3.42Å; C355-K359 WeakPolarHBondContact O-CE 3.4Å; C355-C559 WeakPolarHBondContact CA-SG 3.49Å; C355-C559 HydrophobicContact CB-CB 4.09Å; C355-C559 WeakPolarHBondContact CB-SG 3.44Å; C355-C559 PolarHBondContact O-SG 3.35Å; C355-C559 VanDerWaalsContact O-SG 3.32Å; C355-C559 WeakPolarHBondContact SG-CB 3.49Å; C355-C559 CovalentContact SG-SG 2.02Å; C355-C559 PolarHBondContact SG-SG 2.83Å
356L96.7Very high90.3Very high0 Ų048.4 Ų48.40%023%0.232CC..Hα-helixtrans-81.5-14.4-177.6-67.9175.7000114I352 N353 R358 K359 I361 L383 I406 I408 L555 I558I352-L356 HydrophobicContact CG2-CD1 3.74Å; I352-L356 HydrophobicContact CG2-CG 4.24Å; I352-L356 WeakPolarHBondContact O-CB 3.29Å; I352-L356 VanDerWaalsContact O-CG 3.24Å; I352-L356 WeakPolarHBondContact O-CG 3.31Å; I352-L356 PolarHBondContact O-N 2.81Å; N353-L356 PolarHBondContact O-N 3.36Å; L356-R358 PolarHBondContact O-N 3.33Å; L356-K359 WeakPolarHBondContact O-CB 3.32Å; L356-K359 PolarHBondContact O-N 2.83Å; L356-K359 VanDerWaalsContact O-N 3.07Å; L356-I361 HydrophobicContact CD2-CD1 3.39Å; L356-L383 HydrophobicContact CD1-CD1 4.5Å; L356-I406 HydrophobicContact CB-CD1 3.77Å; L356-I406 HydrophobicContact CB-CG1 4.45Å; L356-I406 HydrophobicContact CB-CG2 4.16Å; L356-I406 WeakPolarHBondContact O-CG1 3.5Å; L356-I408 HydrophobicContact CD1-CD1 4.31Å; L356-I408 HydrophobicContact CD2-CD1 4.49Å; L356-L555 HydrophobicContact CD2-CD2 3.87Å; L356-L555 HydrophobicContact CG-CD2 4.33Å; L356-I558 HydrophobicContact CD2-CD1 4.45Å
357E96.4Very high90.9Very high90 Ų9048 Ų4842%0.42123%0.232SC..THydrogen-bonded Turntrans-53.2131.4-176.1179.9166.4-171.500112.5N353 K359N353-E357 PolarHBondContact O-N 2.89Å; E357-K359 PolarHBondContact O-N 3.1Å
358R97Very high92.3Very high153 Ų15343 Ų4358%0.57721%0.205SC*.THydrogen-bonded Turntrans59.418.1-177.1-58.3178.473.2104.15.7115.5L356 R404 H405 N443L356-R358 PolarHBondContact O-N 3.33Å; R358-R404 PolarHBondContact N-O 3.39Å; R358-H405 CarbonylContact C-O 3.55Å; R358-H405 WeakPolarHBondContact CA-O 3.44Å; R358-H405 HydrophobicContact CG-CB 4.22Å; R358-N443 WeakPolarHBondContact O-CB 3.34Å
359K98.1Very high93.5Very high24 Ų2437.3 Ų37.310%0.10418%0.178CC..  trans-96.4143.4-179.6-61.2-171.2-171.2-78.50113.6C355 L356 E357 I361 L407 N443 I558C355-K359 VanDerWaalsContact O-CD 3.25Å; C355-K359 WeakPolarHBondContact O-CD 3.42Å; C355-K359 WeakPolarHBondContact O-CE 3.4Å; L356-K359 WeakPolarHBondContact O-CB 3.32Å; L356-K359 PolarHBondContact O-N 2.83Å; L356-K359 VanDerWaalsContact O-N 3.07Å; E357-K359 PolarHBondContact O-N 3.1Å; K359-I361 HydrophobicContact CB-CD1 4.42Å; K359-I361 HydrophobicContact CB-CG1 4.27Å; K359-L407 PolarHBondContact O-N 3.27Å; K359-N443 VanDerWaalsContact CA-O 3.24Å; K359-N443 WeakPolarHBondContact CA-O 3.46Å; K359-N443 WeakPolarHBondContact CB-O 3.47Å; K359-I558 HydrophobicContact CD-CD1 3.76Å; K359-I558 HydrophobicContact CD-CG1 4.49Å; K359-I558 WeakPolarHBondContact CE-O 3.41Å; K359-I558 PolarHBondContact NZ-O 2.71Å
360L98.5Very high94.5Very high61 Ų6135.5 Ų35.532%0.31916%0.164SC..EExtended strand (participates in β ladder)trans-108.4114.8170.7-54.4-178.7000108.6Y362 L407 N443 T444 A445L360-Y362 HydrophobicContact CB-CE2 4.04Å; L360-L407 HydrophobicContact CD2-CB 3.71Å; L360-N443 PolarHBondContact N-O 3.37Å; L360-T444 CarbonylContact O-C 3.58Å; L360-T444 WeakPolarHBondContact O-CA 3.38Å; L360-A445 PolarHBondContact O-N 2.91Å
361I98.8Very high95.5Very high1 Ų130.6 Ų30.61%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-118.7120.2-172.8-58.8170.7000109.7L356 K359 L363 L407 I408 Q409 A445 F554 I558L356-I361 HydrophobicContact CD2-CD1 3.39Å; K359-I361 HydrophobicContact CB-CD1 4.42Å; K359-I361 HydrophobicContact CB-CG1 4.27Å; I361-L363 HydrophobicContact CG2-CD2 3.7Å; I361-L363 HydrophobicContact CG2-CG 4.22Å; I361-L407 PolarHBondContact N-O 2.91Å; I361-I408 HydrophobicContact CB-CB 4.45Å; I361-I408 HydrophobicContact CB-CG1 4.23Å; I361-I408 HydrophobicContact CB-CG2 4.17Å; I361-I408 HydrophobicContact CD1-CD1 4.19Å; I361-I408 HydrophobicContact CD1-CG1 4.18Å; I361-I408 HydrophobicContact CG2-CG2 4.12Å; I361-I408 CarbonylContact O-C 3.58Å; I361-I408 WeakPolarHBondContact O-CA 3.47Å; I361-Q409 PolarHBondContact O-N 2.91Å; I361-A445 CarbonylContact C-O 3.45Å; I361-A445 WeakPolarHBondContact CA-O 3.4Å; I361-A445 HydrophobicContact CG1-CB 4.39Å; I361-F554 HydrophobicContact CD1-CE1 3.96Å; I361-F554 HydrophobicContact CD1-CZ 3.89Å; I361-F554 HydrophobicContact CG1-CZ 4.19Å; I361-F554 HydrophobicContact CG2-CE1 4.38Å; I361-F554 HydrophobicContact CG2-CZ 3.76Å; I361-I558 HydrophobicContact CD1-CD1 4.32Å
362Y98.8Very high96.1Very high46 Ų4627.6 Ų27.618%0.1813%0.127CC..EExtended strand (participates in β ladder)trans-110107.9178.7-59.6-87.3000110.2L360 M364 L407 Q409 V438 T444 A445 I446 V447L360-Y362 HydrophobicContact CB-CE2 4.04Å; Y362-M364 HydrophobicContact CG-CE 4.4Å; Y362-L407 HydrophobicContact CE1-CD2 4.42Å; Y362-Q409 HydrophobicContact CD1-CB 4.36Å; Y362-V438 HydrophobicContact CD2-CG1 4.16Å; Y362-V438 HydrophobicContact CD2-CG2 4.14Å; Y362-V438 HydrophobicContact CE2-CG1 3.93Å; Y362-V438 HydrophobicContact CE2-CG2 4.3Å; Y362-V438 HydrophobicContact CG-CG2 4.25Å; Y362-T444 HydrophobicContact CD2-CG2 4.07Å; Y362-T444 HydrophobicContact CE2-CG2 3.91Å; Y362-A445 PolarHBondContact N-O 3.41Å; Y362-I446 CarbonylContact O-C 3.58Å; Y362-I446 WeakPolarHBondContact O-CA 3.48Å; Y362-V447 PolarHBondContact O-N 2.72Å
363L98.7Very high96.4Very high1 Ų126.9 Ų26.91%0.00512%0.123CC..EExtended strand (participates in β ladder)trans-94.1103.5176.2-50.5179.8000108.9I361 L369 W372 I408 Q409 W410 K411 V447I361-L363 HydrophobicContact CG2-CD2 3.7Å; I361-L363 HydrophobicContact CG2-CG 4.22Å; L363-L369 HydrophobicContact CB-CD2 3.89Å; L363-L369 HydrophobicContact CB-CG 4.04Å; L363-L369 HydrophobicContact CD2-CD1 4.44Å; L363-W372 HydrophobicContact CD1-CB 4.23Å; L363-W372 HydrophobicContact CD2-CE3 4.3Å; L363-I408 HydrophobicContact CD1-CG2 3.83Å; L363-I408 HydrophobicContact CG-CG2 4.13Å; L363-Q409 PolarHBondContact N-O 3.17Å; L363-W410 HydrophobicContact CB-CB 4.08Å; L363-W410 HydrophobicContact CB-CG 4.38Å; L363-W410 HydrophobicContact CD1-CB 4.44Å; L363-W410 CarbonylContact O-C 3.51Å; L363-W410 VanDerWaalsContact O-CA 3.26Å; L363-W410 WeakPolarHBondContact O-CA 3.23Å; L363-K411 PolarHBondContact O-N 2.79Å; L363-V447 HydrophobicContact CD2-CB 3.67Å; L363-V447 HydrophobicContact CD2-CG2 3.63Å
364M98.3Very high96.8Very high8 Ų830 Ų304%0.03913%0.134CC..EExtended strand (participates in β ladder)trans-110.2109.6-176.3-56.2-178.1-171.900109.8Y362 I431 E434 I435 V438 I446 V447 I448 T449Y362-M364 HydrophobicContact CG-CE 4.4Å; M364-I431 HydrophobicContact CB-CD1 4.01Å; M364-I431 HydrophobicContact CB-CG1 4.14Å; M364-I431 HydrophobicContact CB-CG2 4.28Å; M364-I431 HydrophobicContact SD-CG2 4.01Å; M364-E434 HydrophobicContact CE-CB 3.88Å; M364-E434 HydrophobicContact SD-CB 3.76Å; M364-I435 HydrophobicContact CE-CG1 4.33Å; M364-I435 HydrophobicContact SD-CG1 3.91Å; M364-V438 HydrophobicContact CE-CG2 3.88Å; M364-I446 HydrophobicContact CE-CG2 4.06Å; M364-I446 HydrophobicContact CG-CG2 4.49Å; M364-I446 HydrophobicContact SD-CG2 4.1Å; M364-V447 PolarHBondContact N-O 2.95Å; M364-I448 WeakPolarHBondContact O-CA 3.42Å; M364-T449 PolarHBondContact O-N 2.83Å; M364-T449 VanDerWaalsContact O-N 3.1Å
365G96.1Very high97.1Very high0 Ų027.9 Ų27.90%012%0.121CC..EExtended strand (participates in β ladder)trans168.4-154.3-177.700000116.7K411 K412 H413 T449G365-K411 PolarHBondContact N-O 3.44Å; G365-K412 CarbonylContact O-C 3.58Å; G365-K412 VanDerWaalsContact O-CA 3.29Å; G365-K412 WeakPolarHBondContact O-CA 3.12Å; G365-H413 PolarHBondContact O-N 3.26Å; G365-H413 VanDerWaalsContact O-N 3.11Å; G365-T449 WeakPolarHBondContact CA-O 3.33Å
366D95.1Very high97.2Very high0 Ų027.6 Ų27.60%012%0.119CC..  trans-88.6-174-174.467.431.1000113.4T368 L369 R370 W410 T449 H453D366-T368 PolarHBondContact O-N 3.16Å; D366-T368 WeakPolarHBondContact OD1-CA 3.33Å; D366-T368 VanDerWaalsContact OD1-CB 3.23Å; D366-T368 WeakPolarHBondContact OD1-CB 3.03Å; D366-T368 WeakPolarHBondContact OD1-CG2 3.35Å; D366-T368 PolarHBondContact OD1-N 2.83Å; D366-T368 PolarHBondContact OD1-OG1 3.1Å; D366-L369 PolarHBondContact O-N 2.95Å; D366-L369 PolarHBondContact OD1-N 2.84Å; D366-R370 PolarHBondContact O-N 3.12Å; D366-R370 VanDerWaalsContact O-N 3.13Å; D366-W410 PolarHBondContact O-NE1 2.99Å; D366-T449 PolarHBondContact N-O 3.07Å; D366-H453 VanDerWaalsContact CB-CD2 3.48Å; D366-H453 WeakPolarHBondContact CB-CD2 3.49Å
367S96Very high97.1Very high16 Ų1630.6 Ų30.611%0.11213%0.133CC..Hα-helixtrans-62.9-19179630000114.8R370 Q371 H541S367-R370 WeakPolarHBondContact O-CB 3.48Å; S367-Q371 PolarHBondContact O-N 3.34Å; S367-H541 PolarHBondContact OG-NE2 3.33Å
368T97.1Very high96.9Very high1 Ų131.7 Ų31.71%0.00614%0.136CC..Hα-helixtrans-75.7-37.2176.476.20000111.1D366 R370 Q371 Q452 K488 A540D366-T368 PolarHBondContact O-N 3.16Å; D366-T368 WeakPolarHBondContact OD1-CA 3.33Å; D366-T368 VanDerWaalsContact OD1-CB 3.23Å; D366-T368 WeakPolarHBondContact OD1-CB 3.03Å; D366-T368 WeakPolarHBondContact OD1-CG2 3.35Å; D366-T368 PolarHBondContact OD1-N 2.83Å; D366-T368 PolarHBondContact OD1-OG1 3.1Å; T368-R370 VanDerWaalsContact C-N 3.35Å; T368-Q371 WeakPolarHBondContact O-CB 3.42Å; T368-Q371 PolarHBondContact O-N 3Å; T368-Q452 HydrophobicContact CG2-CG 4.15Å; T368-K488 PolarHBondContact OG1-NZ 3.21Å; T368-A540 VanDerWaalsContact CG2-O 3.28Å; T368-A540 WeakPolarHBondContact CG2-O 3.46Å
369L97.8Very high96.7Very high0 Ų025.5 Ų25.50%012%0.117CC..Hα-helixtrans-73.4-30.7172.4-170.661.1000111.3L363 D366 Q371 W372 V447 K488L363-L369 HydrophobicContact CB-CD2 3.89Å; L363-L369 HydrophobicContact CB-CG 4.04Å; L363-L369 HydrophobicContact CD2-CD1 4.44Å; D366-L369 PolarHBondContact O-N 2.95Å; D366-L369 PolarHBondContact OD1-N 2.84Å; L369-Q371 PolarHBondContact O-N 3.39Å; L369-W372 HydrophobicContact CD1-CD2 3.8Å; L369-W372 HydrophobicContact CD1-CE3 4.04Å; L369-W372 HydrophobicContact CD1-CG 4.11Å; L369-W372 HydrophobicContact CD1-CZ2 4.38Å; L369-W372 HydrophobicContact CD1-CZ3 4.43Å; L369-W372 VanDerWaalsContact O-CB 3.27Å; L369-W372 WeakPolarHBondContact O-CB 3.44Å; L369-W372 PolarHBondContact O-N 3.33Å; L369-V447 HydrophobicContact CD1-CB 4.39Å; L369-V447 HydrophobicContact CD1-CG1 3.73Å; L369-V447 HydrophobicContact CD2-CB 4.39Å; L369-V447 HydrophobicContact CD2-CG1 4.23Å; L369-V447 WeakPolarHBondContact CD2-O 3.42Å; L369-K488 HydrophobicContact CD1-CD 4.19Å
370R96.8Very high96.4Very high32 Ų3224.3 Ų24.312%0.12111%0.112CC..Hα-helixtrans-58.2-31171.6-166.617547.9106.19.7112.4D366 S367 T368 W372 I373 Y374 W410D366-R370 PolarHBondContact O-N 3.12Å; D366-R370 VanDerWaalsContact O-N 3.13Å; S367-R370 WeakPolarHBondContact O-CB 3.48Å; T368-R370 VanDerWaalsContact C-N 3.35Å; R370-W372 PolarHBondContact O-N 3.31Å; R370-W372 VanDerWaalsContact O-N 3.11Å; R370-I373 HydrophobicContact CG-CG2 4.33Å; R370-I373 VanDerWaalsContact O-CG2 3.3Å; R370-I373 WeakPolarHBondContact O-CG2 3.42Å; R370-I373 PolarHBondContact O-N 3.49Å; R370-I373 VanDerWaalsContact O-N 3.09Å; R370-Y374 WeakPolarHBondContact CD-OH 3.14Å; R370-Y374 HydrophobicContact CG-CE2 3.84Å; R370-Y374 VanDerWaalsContact NH1-CE2 3.31Å; R370-Y374 PolarHBondContact NH1-OH 3.2Å; R370-W410 HydrophobicContact CB-CD2 3.87Å; R370-W410 VanDerWaalsContact CB-CE2 3.47Å; R370-W410 HydrophobicContact CB-CE3 4.47Å; R370-W410 HydrophobicContact CB-CG 4.27Å; R370-W410 HydrophobicContact CB-CH2 4.32Å; R370-W410 HydrophobicContact CB-CZ2 3.72Å; R370-W410 HydrophobicContact CG-CD2 3.8Å; R370-W410 HydrophobicContact CG-CE3 3.98Å; R370-W410 HydrophobicContact CG-CG 4.33Å; R370-W410 HydrophobicContact CG-CH2 4.24Å; R370-W410 HydrophobicContact CG-CZ2 4.11Å; R370-W410 HydrophobicContact CG-CZ3 4.18Å
371Q97.6Very high96.1Very high32 Ų3227.7 Ų27.715%0.1513%0.125CC..Hα-helixtrans-57.4-27.6176.4-68.4-178.4-92.400112.3S367 T368 L369 I373 Y374 Y375 H541 P542 I547S367-Q371 PolarHBondContact O-N 3.34Å; T368-Q371 WeakPolarHBondContact O-CB 3.42Å; T368-Q371 PolarHBondContact O-N 3Å; L369-Q371 PolarHBondContact O-N 3.39Å; Q371-I373 VanDerWaalsContact C-N 3.35Å; Q371-I373 PolarHBondContact O-N 2.63Å; Q371-Y374 PolarHBondContact O-N 2.91Å; Q371-Y375 WeakPolarHBondContact O-CB 3.23Å; Q371-Y375 PolarHBondContact O-N 3.41Å; Q371-H541 VanDerWaalsContact OE1-CA 3.28Å; Q371-P542 PolarHBondContact NE2-O 2.88Å; Q371-I547 HydrophobicContact CB-CD1 3.95Å; Q371-I547 HydrophobicContact CB-CG1 4.23Å
372W98Very high95.8Very high0 Ų030.3 Ų30.30%014%0.14CC..Hα-helixtrans-65-38.7178.4-69.826.8000112.2L363 L369 R370 Y374 Y375 L376 V447 K488 I526 I547 Q550 I551 F554L363-W372 HydrophobicContact CD1-CB 4.23Å; L363-W372 HydrophobicContact CD2-CE3 4.3Å; L369-W372 HydrophobicContact CD1-CD2 3.8Å; L369-W372 HydrophobicContact CD1-CE3 4.04Å; L369-W372 HydrophobicContact CD1-CG 4.11Å; L369-W372 HydrophobicContact CD1-CZ2 4.38Å; L369-W372 HydrophobicContact CD1-CZ3 4.43Å; L369-W372 VanDerWaalsContact O-CB 3.27Å; L369-W372 WeakPolarHBondContact O-CB 3.44Å; L369-W372 PolarHBondContact O-N 3.33Å; R370-W372 PolarHBondContact O-N 3.31Å; R370-W372 VanDerWaalsContact O-N 3.11Å; W372-Y374 VanDerWaalsContact C-N 3.32Å; W372-Y374 PolarHBondContact O-N 2.78Å; W372-Y375 PolarHBondContact O-N 3.2Å; W372-L376 WeakPolarHBondContact O-CB 3.4Å; W372-L376 VanDerWaalsContact O-CG 3.24Å; W372-L376 WeakPolarHBondContact O-CG 3.42Å; W372-L376 PolarHBondContact O-N 2.82Å; W372-V447 HydrophobicContact CH2-CG1 4.22Å; W372-V447 HydrophobicContact CZ3-CG1 4.2Å; W372-V447 HydrophobicContact CZ3-CG2 4.26Å; W372-K488 HydrophobicContact CZ2-CD 3.85Å; W372-I526 HydrophobicContact CH2-CD1 3.59Å; W372-I526 HydrophobicContact CZ2-CD1 4.21Å; W372-I547 HydrophobicContact CG-CG2 4.45Å; W372-Q550 HydrophobicContact CZ2-CB 3.7Å; W372-Q550 VanDerWaalsContact NE1-OE1 3.12Å; W372-I551 HydrophobicContact CB-CD1 4.02Å; W372-I551 HydrophobicContact CB-CG1 4.24Å; W372-I551 HydrophobicContact CD2-CD1 4.23Å; W372-I551 HydrophobicContact CD2-CG1 3.5Å; W372-I551 HydrophobicContact CE3-CG1 3.68Å; W372-I551 HydrophobicContact CG-CD1 3.99Å; W372-I551 HydrophobicContact CG-CG1 3.79Å; W372-I551 HydrophobicContact CZ2-CG1 4.48Å; W372-I551 HydrophobicContact CZ3-CG1 4.23Å; W372-F554 HydrophobicContact CH2-CB 3.63Å; W372-F554 HydrophobicContact CH2-CG 4.19Å; W372-F554 HydrophobicContact CZ3-CB 3.58Å; W372-F554 AromaticContact CZ3-CD1 3.98Å; W372-F554 HydrophobicContact CZ3-CD1 3.98Å; W372-F554 HydrophobicContact CZ3-CD2 4.21Å; W372-F554 AromaticContact CZ3-CG 3.66Å; W372-F554 HydrophobicContact CZ3-CG 3.66Å
373I96.1Very high95.7Very high0 Ų028.1 Ų28.10%013%0.132CC..Hα-helixtrans-65.9-39.2179.6-150.1156000111.1R370 Q371 Q377 H397 L399 W410R370-I373 HydrophobicContact CG-CG2 4.33Å; R370-I373 VanDerWaalsContact O-CG2 3.3Å; R370-I373 WeakPolarHBondContact O-CG2 3.42Å; R370-I373 PolarHBondContact O-N 3.49Å; R370-I373 VanDerWaalsContact O-N 3.09Å; Q371-I373 VanDerWaalsContact C-N 3.35Å; Q371-I373 PolarHBondContact O-N 2.63Å; I373-Q377 PolarHBondContact O-N 3.09Å; I373-Q377 VanDerWaalsContact O-N 3.09Å; I373-H397 HydrophobicContact CD1-CB 3.59Å; I373-H397 VanDerWaalsContact CD1-O 3.28Å; I373-H397 WeakPolarHBondContact CD1-O 3.32Å; I373-H397 HydrophobicContact CG1-CB 4.5Å; I373-H397 HydrophobicContact CG2-CB 4.15Å; I373-L399 HydrophobicContact CD1-CD1 4.44Å; I373-L399 HydrophobicContact CD1-CG 4.13Å; I373-L399 HydrophobicContact CG1-CD1 3.5Å; I373-L399 VanDerWaalsContact CG1-CD1 3.5Å; I373-L399 HydrophobicContact CG1-CG 3.63Å; I373-W410 HydrophobicContact CD1-CB 3.86Å
374Y96.1Very high95.6Very high81 Ų8134.2 Ų34.232%0.31816%0.159SC..Hα-helixtrans-65.3-43.1175.4-59.6-39.8000111.8R370 Q371 W372 K378 Y385 H397R370-Y374 WeakPolarHBondContact CD-OH 3.14Å; R370-Y374 HydrophobicContact CG-CE2 3.84Å; R370-Y374 VanDerWaalsContact NH1-CE2 3.31Å; R370-Y374 PolarHBondContact NH1-OH 3.2Å; Q371-Y374 PolarHBondContact O-N 2.91Å; W372-Y374 VanDerWaalsContact C-N 3.32Å; W372-Y374 PolarHBondContact O-N 2.78Å; Y374-K378 WeakPolarHBondContact O-CB 3.46Å; Y374-K378 PolarHBondContact O-N 3.31Å; Y374-K378 VanDerWaalsContact O-N 3.15Å; Y374-Y385 WeakPolarHBondContact CD1-OH 3.35Å; Y374-H397 PolarHBondContact OH-CE1 2.95Å; Y374-H397 PolarHBondContact OH-NE2 3.43Å
375Y96.6Very high95.5Very high29 Ų2938.5 Ų38.511%0.11418%0.175CC..Hα-helixtrans-65.8-45.9177.6-176.4-86.4000111.9Q371 W372 Q377 K378 A379 D544 I547 Q548 I551Q371-Y375 WeakPolarHBondContact O-CB 3.23Å; Q371-Y375 PolarHBondContact O-N 3.41Å; W372-Y375 PolarHBondContact O-N 3.2Å; Y375-Q377 PolarHBondContact O-N 2.84Å; Y375-K378 CarbonylContact O-C 3.56Å; Y375-K378 WeakPolarHBondContact O-CA 3.42Å; Y375-K378 WeakPolarHBondContact O-CB 3.07Å; Y375-K378 PolarHBondContact O-N 2.89Å; Y375-K378 VanDerWaalsContact O-N 3.07Å; Y375-A379 HydrophobicContact CD1-CB 4.24Å; Y375-A379 HydrophobicContact CE1-CB 3.79Å; Y375-A379 WeakPolarHBondContact O-CB 3.34Å; Y375-A379 PolarHBondContact O-N 3.24Å; Y375-D544 HydrophobicContact CD2-CB 4.1Å; Y375-D544 HydrophobicContact CE2-CB 4.1Å; Y375-I547 HydrophobicContact CD2-CG2 4.37Å; Y375-I547 HydrophobicContact CG-CG2 3.98Å; Y375-Q548 HydrophobicContact CE1-CB 4.08Å; Y375-Q548 HydrophobicContact CE1-CG 4.27Å; Y375-Q548 HydrophobicContact CE2-CB 3.88Å; Y375-Q548 VanDerWaalsContact CZ-CB 3.48Å; Y375-Q548 VanDerWaalsContact OH-CB 3.26Å; Y375-Q548 WeakPolarHBondContact OH-CB 3.22Å; Y375-Q548 WeakPolarHBondContact OH-CG 3.44Å; Y375-Q548 PolarHBondContact OH-OE1 3.46Å; Y375-I551 HydrophobicContact CD1-CD1 3.37Å; Y375-I551 HydrophobicContact CE1-CD1 4.18Å; Y375-I551 HydrophobicContact CG-CD1 3.99Å
376L95.8Very high95.5Very high4 Ų443.6 Ų43.62%0.02120%0.197CC..Hα-helixtrans-61.2-43.5-179.3-75.6165.2000111.6W372 K378 A379 V380 L383 L399 I408 I551W372-L376 WeakPolarHBondContact O-CB 3.4Å; W372-L376 VanDerWaalsContact O-CG 3.24Å; W372-L376 WeakPolarHBondContact O-CG 3.42Å; W372-L376 PolarHBondContact O-N 2.82Å; L376-K378 VanDerWaalsContact C-N 3.28Å; L376-K378 PolarHBondContact O-N 2.92Å; L376-A379 PolarHBondContact O-N 3.02Å; L376-V380 WeakPolarHBondContact O-CB 3.4Å; L376-V380 PolarHBondContact O-N 2.61Å; L376-L383 HydrophobicContact CB-CD1 4.3Å; L376-L399 HydrophobicContact CB-CD1 4.17Å; L376-I408 HydrophobicContact CD1-CD1 3.84Å; L376-I408 HydrophobicContact CD1-CG2 4.34Å; L376-I551 HydrophobicContact CD2-CD1 4.32Å; L376-I551 HydrophobicContact CD2-CG2 4Å; L376-I551 HydrophobicContact CG-CD1 4.03Å
377Q94.9Very high95.1Very high64 Ų6447.4 Ų47.430%0.29922%0.218SC..Hα-helixtrans-63.6-35.4174.5-172.9-86-22.500112.4I373 Y375 Y385 L399I373-Q377 PolarHBondContact O-N 3.09Å; I373-Q377 VanDerWaalsContact O-N 3.09Å; Y375-Q377 PolarHBondContact O-N 2.84Å; Q377-Y385 HydrophobicContact CB-CE2 4.1Å; Q377-Y385 HydrophobicContact CG-CD2 4.14Å; Q377-Y385 HydrophobicContact CG-CE2 3.55Å; Q377-L399 HydrophobicContact CB-CD1 3.98Å; Q377-L399 HydrophobicContact CB-CD2 3.88Å; Q377-L399 HydrophobicContact CG-CD2 3.99Å
378K93.7Very high94.5Very high113 Ų11352.1 Ų52.149%0.49124%0.238SC..Hα-helixtrans-68.1-41.7175.5-179.9179.7172.2-1780111.6Y374 Y375 L376 K381 D544Y374-K378 WeakPolarHBondContact O-CB 3.46Å; Y374-K378 PolarHBondContact O-N 3.31Å; Y374-K378 VanDerWaalsContact O-N 3.15Å; Y375-K378 CarbonylContact O-C 3.56Å; Y375-K378 WeakPolarHBondContact O-CA 3.42Å; Y375-K378 WeakPolarHBondContact O-CB 3.07Å; Y375-K378 PolarHBondContact O-N 2.89Å; Y375-K378 VanDerWaalsContact O-N 3.07Å; L376-K378 VanDerWaalsContact C-N 3.28Å; L376-K378 PolarHBondContact O-N 2.92Å; K378-K381 VanDerWaalsContact O-CE 3.31Å; K378-K381 WeakPolarHBondContact O-CE 3.26Å; K378-K381 PolarHBondContact O-NZ 3.47Å; K378-D544 IonicContact NZ-OD2 3.57Å; K378-D544 PolarHBondContact NZ-OD2 2.87Å
379A91.9Very high93.8Very high22 Ų2260.2 Ų60.218%0.18228%0.275CS..Hα-helixtrans-81.1-33.7-174.300000113.6T349 Y375 L376T349-A379 VanDerWaalsContact CG2-O 3.31Å; T349-A379 WeakPolarHBondContact CG2-O 3.47Å; T349-A379 PolarHBondContact OG1-O 3.41Å; Y375-A379 HydrophobicContact CD1-CB 4.24Å; Y375-A379 HydrophobicContact CE1-CB 3.79Å; Y375-A379 WeakPolarHBondContact O-CB 3.34Å; Y375-A379 PolarHBondContact O-N 3.24Å; L376-A379 PolarHBondContact O-N 3.02Å
380V92.6Very high93Very high0 Ų061.6 Ų61.60%029%0.289CS..  trans-117.999.8-178.6174.30000109T349 I352 N353 L376 T382 L383T349-V380 HydrophobicContact CG2-CG2 4.37Å; I352-V380 HydrophobicContact CB-CG2 4.25Å; I352-V380 HydrophobicContact CG2-CG2 3.63Å; N353-V380 WeakPolarHBondContact OD1-CG1 3.41Å; N353-V380 WeakPolarHBondContact OD1-CG2 3.44Å; L376-V380 WeakPolarHBondContact O-CB 3.4Å; L376-V380 PolarHBondContact O-N 2.61Å; V380-T382 WeakPolarHBondContact CG1-OG1 3.48Å; V380-T382 PolarHBondContact O-N 2.79Å; V380-L383 HydrophobicContact CB-CD1 3.88Å; V380-L383 HydrophobicContact CB-CG 4.21Å; V380-L383 HydrophobicContact CG1-CB 4.29Å; V380-L383 HydrophobicContact CG1-CD1 3.9Å; V380-L383 HydrophobicContact CG1-CG 3.71Å; V380-L383 PolarHBondContact O-N 3.22Å
381K91.2Very high92.2Very high132 Ų13263.8 Ų63.857%0.57431%0.314SS*.THydrogen-bonded Turntrans-71-17.1-173.3-60.6-52.8-168.7-1670114.6K378 K384K378-K381 VanDerWaalsContact O-CE 3.31Å; K378-K381 WeakPolarHBondContact O-CE 3.26Å; K378-K381 PolarHBondContact O-NZ 3.47Å; K381-K384 PolarHBondContact O-NZ 3.41Å
382T93.5Very high91.6Very high55 Ų5565 Ų6534%0.33734%0.335SS..THydrogen-bonded Turntrans-74.6-29.4177.761.10000111.6V380 K384 D401V380-T382 WeakPolarHBondContact CG1-OG1 3.48Å; V380-T382 PolarHBondContact O-N 2.79Å; T382-K384 PolarHBondContact O-N 3.35Å; T382-D401 WeakPolarHBondContact CB-OD2 3.47Å; T382-D401 PolarHBondContact OG1-OD2 3.44Å
383L96.1Very high91.1Very high0 Ų067.8 Ų67.80%035%0.35CS..  trans-65.1120.9172.7-71.4172.9000111L356 L376 V380 L399 L400 D401 I406 I408L356-L383 HydrophobicContact CD1-CD1 4.5Å; L376-L383 HydrophobicContact CB-CD1 4.3Å; V380-L383 HydrophobicContact CB-CD1 3.88Å; V380-L383 HydrophobicContact CB-CG 4.21Å; V380-L383 HydrophobicContact CG1-CB 4.29Å; V380-L383 HydrophobicContact CG1-CD1 3.9Å; V380-L383 HydrophobicContact CG1-CG 3.71Å; V380-L383 PolarHBondContact O-N 3.22Å; L383-L399 HydrophobicContact CB-CB 4.25Å; L383-L399 HydrophobicContact CB-CD1 4.34Å; L383-L399 HydrophobicContact CD1-CD1 4.08Å; L383-L399 HydrophobicContact CD2-CB 4.15Å; L383-L400 WeakPolarHBondContact CA-O 3.37Å; L383-D401 HydrophobicContact CD2-CB 4.01Å; L383-I406 HydrophobicContact CD2-CB 4.22Å; L383-I406 HydrophobicContact CD2-CG2 3.96Å; L383-I408 HydrophobicContact CD1-CD1 3.95Å
384K97.3Very high91Very high130 Ų13068.9 Ų68.957%0.56535%0.354SS*.EExtended strand (participates in β ladder)trans-111.8144.5176.5-57-52.5-176.8-165.50110.8K381 T382 F386 L399 L400K381-K384 PolarHBondContact O-NZ 3.41Å; T382-K384 PolarHBondContact O-N 3.35Å; K384-F386 PolarHBondContact O-N 2.66Å; K384-L399 CarbonylContact O-C 3.6Å; K384-L399 VanDerWaalsContact O-CA 3.32Å; K384-L399 WeakPolarHBondContact O-CA 3.43Å; K384-L400 PolarHBondContact N-O 2.78Å; K384-L400 PolarHBondContact O-N 3.21Å
385Y95.8Very high90.8Very high97 Ų9767.6 Ų67.638%0.3835%0.35SS..EExtended strand (participates in β ladder)trans-66.2129.9170.4-75.5-74.2000110.2Y374 Q377 V398 L399Y374-Y385 WeakPolarHBondContact CD1-OH 3.35Å; Q377-Y385 HydrophobicContact CB-CE2 4.1Å; Q377-Y385 HydrophobicContact CG-CD2 4.14Å; Q377-Y385 HydrophobicContact CG-CE2 3.55Å; Y385-V398 WeakPolarHBondContact CA-O 3.48Å; Y385-L399 HydrophobicContact CD1-CD2 3.6Å; Y385-L399 HydrophobicContact CD2-CD2 4.2Å; Y385-L399 HydrophobicContact CE1-CD2 3.6Å; Y385-L399 HydrophobicContact CE1-CG 4.37Å; Y385-L399 HydrophobicContact CE2-CD2 4.21Å; Y385-L399 HydrophobicContact CG-CD2 3.89Å
386F94.8Very high90.7Very high107 Ų10767 Ų6747%0.46935%0.35SS..EExtended strand (participates in β ladder)trans-95.5119.9164.6177.8-101.1000108.7K384 H388 V398 L400K384-F386 PolarHBondContact O-N 2.66Å; F386-H388 HydrophobicContact CD1-CB 4.32Å; F386-H388 HydrophobicContact CE1-CB 4.25Å; F386-H388 PolarHBondContact O-N 2.93Å; F386-V398 HydrophobicContact CB-CB 4.11Å; F386-V398 HydrophobicContact CB-CG1 4.1Å; F386-V398 HydrophobicContact CD1-CB 4.44Å; F386-V398 PolarHBondContact N-O 3.01Å; F386-L400 HydrophobicContact CB-CD1 3.64Å; F386-L400 HydrophobicContact CB-CG 3.99Å; F386-L400 HydrophobicContact CD2-CD1 3.96Å; F386-L400 HydrophobicContact CG-CD1 3.88Å
387D87.8Confident90.7Very high81 Ų8167.6 Ų67.643%0.43335%0.352SS..  trans-81.698.8178.6-169.927.6000110.7H389 K395D387-H389 PolarHBondContact O-N 3.2Å; D387-H389 PolarHBondContact OD1-N 2.7Å; D387-H389 IonicContact OD2-ND1 3.92Å; D387-K395 IonicContact OD1-NZ 3.49Å; D387-K395 PolarHBondContact OD1-NZ 3.1Å
388H83.2Confident90.8Very high115 Ų11564.9 Ų64.953%0.53234%0.34SS..  trans-77.625174.6-164-71.9000112.3F386 G390F386-H388 HydrophobicContact CD1-CB 4.32Å; F386-H388 HydrophobicContact CE1-CB 4.25Å; F386-H388 PolarHBondContact O-N 2.93Å; H388-G390 PolarHBondContact O-N 2.8Å
389H83.2Confident91Very high171 Ų17159.5 Ų59.579%0.79232%0.317SS*.SBendtrans52.325.1-179.7-59.1-59.1000116D387D387-H389 PolarHBondContact O-N 3.2Å; D387-H389 PolarHBondContact OD1-N 2.7Å; D387-H389 IonicContact OD2-ND1 3.92Å
390G80.3Confident91.2Very high29 Ų2960.6 Ų60.630%0.29932%0.32SS..  trans-80.7156.3173.600000112.5H388 K395H388-G390 PolarHBondContact O-N 2.8Å; G390-K395 VanDerWaalsContact C-CD 3.46Å; G390-K395 WeakPolarHBondContact O-CD 3.27Å; G390-K395 PolarHBondContact O-NZ 3.33Å
391A79.6Confident91.5Very high77 Ų7761 Ų6164%0.63632%0.322SS*.  trans-105142.6179.300000112.7
392G85.4Confident91.7Very high58 Ų5860.4 Ų60.460%0.59833%0.329SS*.SBendtrans74.6-175.3173.800000115F394 K395G392-F394 VanDerWaalsContact C-N 3.32Å; G392-F394 PolarHBondContact O-N 3.43Å; G392-K395 WeakPolarHBondContact O-CG 3.37Å
393I88.3Confident91.8Very high59 Ų5966 Ų6630%0.30335%0.351SS..THydrogen-bonded Turntrans-77.6-16.6-172.563.7162.8000114.2H397 K421I393-H397 PolarHBondContact O-NE2 3.5Å; I393-K421 HydrophobicContact CD1-CD 3.62Å; I393-K421 HydrophobicContact CG1-CD 4.21Å
394F92.1Very high91.8Very high22 Ų2269.4 Ų69.410%0.09636%0.364CS..THydrogen-bonded Turntrans-101.38.8-177.5-55.4-61.9000113G392 W410 K412 F417 T419 K421 F423G392-F394 VanDerWaalsContact C-N 3.32Å; G392-F394 PolarHBondContact O-N 3.43Å; F394-W410 HydrophobicContact CD1-CH2 4.48Å; F394-K412 HydrophobicContact CB-CD 4.02Å; F394-F417 AromaticContact CD1-CE1 3.84Å; F394-F417 HydrophobicContact CD1-CE1 3.84Å; F394-F417 AromaticContact CD1-CZ 3.73Å; F394-F417 HydrophobicContact CD1-CZ 3.73Å; F394-F417 HydrophobicContact CD2-CE1 4.42Å; F394-F417 AromaticContact CE1-CE1 3.74Å; F394-F417 HydrophobicContact CE1-CE1 3.74Å; F394-F417 AromaticContact CE1-CZ 3.72Å; F394-F417 HydrophobicContact CE1-CZ 3.72Å; F394-F417 HydrophobicContact CE2-CE1 4.27Å; F394-F417 HydrophobicContact CG-CE1 4.18Å; F394-F417 HydrophobicContact CG-CZ 4.42Å; F394-F417 AromaticContact CZ-CE1 3.95Å; F394-F417 HydrophobicContact CZ-CE1 3.95Å; F394-F417 HydrophobicContact CZ-CZ 4.38Å; F394-T419 HydrophobicContact CE2-CG2 3.83Å; F394-T419 HydrophobicContact CZ-CG2 4.02Å; F394-T419 WeakPolarHBondContact CZ-OG1 3.04Å; F394-K421 HydrophobicContact CE2-CB 3.75Å; F394-K421 HydrophobicContact CE2-CD 4.49Å; F394-K421 HydrophobicContact CZ-CB 4.45Å; F394-F423 HydrophobicContact CB-CB 4.17Å; F394-F423 HydrophobicContact CD2-CB 3.62Å; F394-F423 HydrophobicContact CE2-CB 4.38Å; F394-F423 HydrophobicContact CG-CB 4.26Å
395K92.1Very high91.8Very high54 Ų5468.6 Ų68.624%0.23536%0.362CS..SBendtrans-58156.5166.971.6-178.4-172.3170.20110.6D387 G390 G392 H397D387-K395 IonicContact OD1-NZ 3.49Å; D387-K395 PolarHBondContact OD1-NZ 3.1Å; G390-K395 VanDerWaalsContact C-CD 3.46Å; G390-K395 WeakPolarHBondContact O-CD 3.27Å; G390-K395 PolarHBondContact O-NZ 3.33Å; G392-K395 WeakPolarHBondContact O-CG 3.37Å; K395-H397 PolarHBondContact O-CD2 3.02Å; K395-H397 PolarHBondContact O-N 3.27Å
396T94.6Very high91.9Very high17 Ų1764.1 Ų64.110%0.10434%0.344CS..PPolyproline II helixtrans-57.8122.2166.4-59.70000108.6V398 Q409 W410T396-V398 HydrophobicContact CG2-CG2 4.05Å; T396-Q409 HydrophobicContact CG2-CG 3.61Å; T396-W410 WeakPolarHBondContact CA-O 3.42Å
397H95.8Very high92Very high16 Ų1660.9 Ų60.97%0.07433%0.332CS..EExtended strand (participates in β ladder)trans-100.1129.1177-71.4-84.8000108I373 Y374 I393 K395 Q409 W410I373-H397 HydrophobicContact CD1-CB 3.59Å; I373-H397 VanDerWaalsContact CD1-O 3.28Å; I373-H397 WeakPolarHBondContact CD1-O 3.32Å; I373-H397 HydrophobicContact CG1-CB 4.5Å; I373-H397 HydrophobicContact CG2-CB 4.15Å; Y374-H397 PolarHBondContact OH-CE1 2.95Å; Y374-H397 PolarHBondContact OH-NE2 3.43Å; I393-H397 PolarHBondContact O-NE2 3.5Å; K395-H397 PolarHBondContact O-CD2 3.02Å; K395-H397 PolarHBondContact O-N 3.27Å; H397-Q409 CarbonylContact O-C 3.57Å; H397-Q409 WeakPolarHBondContact O-CA 3.36Å; H397-W410 HydrophobicContact CB-CB 4.45Å; H397-W410 AromaticContact CD2-CE3 3.58Å; H397-W410 AromaticContact CD2-CZ3 3.82Å; H397-W410 PolarHBondContact N-O 3.44Å; H397-W410 PolarHBondContact O-N 3.1Å
398V97.4Very high92.5Very high7 Ų757 Ų574%0.04231%0.311CS..EExtended strand (participates in β ladder)trans-125.6127.7-179.6-1760000108.8Y385 F386 T396 L400 L407 I408 Q409Y385-V398 WeakPolarHBondContact CA-O 3.48Å; F386-V398 HydrophobicContact CB-CB 4.11Å; F386-V398 HydrophobicContact CB-CG1 4.1Å; F386-V398 HydrophobicContact CD1-CB 4.44Å; F386-V398 PolarHBondContact N-O 3.01Å; T396-V398 HydrophobicContact CG2-CG2 4.05Å; V398-L400 HydrophobicContact CG1-CD2 3.92Å; V398-L400 HydrophobicContact CG1-CG 4.06Å; V398-L407 HydrophobicContact CG1-CG 4.5Å; V398-I408 CarbonylContact C-O 3.57Å; V398-I408 WeakPolarHBondContact CA-O 3.41Å; V398-Q409 HydrophobicContact CG2-CG 4.23Å
399L97.7Very high93.2Very high0 Ų053.6 Ų53.60%030%0.295CS..EExtended strand (participates in β ladder)trans-106.9135.2166.2-65.1176000109.6I373 L376 Q377 L383 K384 Y385 I408I373-L399 HydrophobicContact CD1-CD1 4.44Å; I373-L399 HydrophobicContact CD1-CG 4.13Å; I373-L399 HydrophobicContact CG1-CD1 3.5Å; I373-L399 VanDerWaalsContact CG1-CD1 3.5Å; I373-L399 HydrophobicContact CG1-CG 3.63Å; L376-L399 HydrophobicContact CB-CD1 4.17Å; Q377-L399 HydrophobicContact CB-CD1 3.98Å; Q377-L399 HydrophobicContact CB-CD2 3.88Å; Q377-L399 HydrophobicContact CG-CD2 3.99Å; L383-L399 HydrophobicContact CB-CB 4.25Å; L383-L399 HydrophobicContact CB-CD1 4.34Å; L383-L399 HydrophobicContact CD1-CD1 4.08Å; L383-L399 HydrophobicContact CD2-CB 4.15Å; K384-L399 CarbonylContact O-C 3.6Å; K384-L399 VanDerWaalsContact O-CA 3.32Å; K384-L399 WeakPolarHBondContact O-CA 3.43Å; Y385-L399 HydrophobicContact CD1-CD2 3.6Å; Y385-L399 HydrophobicContact CD2-CD2 4.2Å; Y385-L399 HydrophobicContact CE1-CD2 3.6Å; Y385-L399 HydrophobicContact CE1-CG 4.37Å; Y385-L399 HydrophobicContact CE2-CD2 4.21Å; Y385-L399 HydrophobicContact CG-CD2 3.89Å; L399-I408 HydrophobicContact CB-CB 4.24Å; L399-I408 PolarHBondContact N-O 3.34Å; L399-I408 PolarHBondContact O-N 2.79Å
400L97.4Very high93.9Very high46 Ų4645.4 Ų45.424%0.24126%0.258CS..EExtended strand (participates in β ladder)trans-126143.2177.1-61.4178.9000111L383 K384 F386 V398 I406 L407L383-L400 WeakPolarHBondContact CA-O 3.37Å; K384-L400 PolarHBondContact N-O 2.78Å; K384-L400 PolarHBondContact O-N 3.21Å; F386-L400 HydrophobicContact CB-CD1 3.64Å; F386-L400 HydrophobicContact CB-CG 3.99Å; F386-L400 HydrophobicContact CD2-CD1 3.96Å; F386-L400 HydrophobicContact CG-CD1 3.88Å; V398-L400 HydrophobicContact CG1-CD2 3.92Å; V398-L400 HydrophobicContact CG1-CG 4.06Å; L400-I406 WeakPolarHBondContact CA-O 3.39Å; L400-L407 HydrophobicContact CD2-CB 4Å; L400-L407 HydrophobicContact CD2-CD1 3.97Å; L400-L407 HydrophobicContact CD2-CG 3.94Å
401D97.2Very high94.6Very high9 Ų945.3 Ų45.35%0.04825%0.249CC..EExtended strand (participates in β ladder)trans-127.1101.4158-174.5-32.2000106.3T382 L383 E403 R404 H405 I406T382-D401 WeakPolarHBondContact CB-OD2 3.47Å; T382-D401 PolarHBondContact OG1-OD2 3.44Å; L383-D401 HydrophobicContact CD2-CB 4.01Å; D401-E403 VanDerWaalsContact C-N 3.35Å; D401-E403 PolarHBondContact OD1-N 2.83Å; D401-R404 HydrophobicContact CB-CB 4.32Å; D401-R404 PolarHBondContact OD1-N 2.89Å; D401-R404 WeakPolarHBondContact OD2-CD 3.37Å; D401-H405 WeakPolarHBondContact O-CA 3.38Å; D401-H405 PolarHBondContact O-N 3.3Å; D401-I406 HydrophobicContact CB-CB 3.92Å; D401-I406 HydrophobicContact CB-CD1 3.92Å; D401-I406 HydrophobicContact CB-CG1 3.99Å; D401-I406 PolarHBondContact N-O 3.22Å; D401-I406 PolarHBondContact O-N 3.3Å
402V95.6Very high95.4Very high119 Ų11942.3 Ų42.372%0.72122%0.221SC*.THydrogen-bonded Turntrans-68.5-37.6-171.9178.60000110.9H405V402-H405 PolarHBondContact O-N 2.83Å
403E96.1Very high95.9Very high172 Ų17239.5 Ų39.580%0.80419%0.193SC*.THydrogen-bonded Turntrans-66-42.6-179.6-63.8179.6177.600111D401 H405D401-E403 VanDerWaalsContact C-N 3.35Å; D401-E403 PolarHBondContact OD1-N 2.83Å; E403-H405 VanDerWaalsContact C-N 3.34Å; E403-H405 PolarHBondContact O-CE1 2.82Å; E403-H405 PolarHBondContact O-ND1 3.38Å; E403-H405 VanDerWaalsContact O-ND1 3.16Å
404R95.8Very high96.1Very high72 Ų7236.7 Ų36.727%0.27218%0.179SC..THydrogen-bonded Turntrans-90.23.6179-62.8-177.5176.2-106.5-1.5113.9D354 R358 D401 I406D354-R404 IonicContact OD1-NH1 3.94Å; D354-R404 PolarHBondContact OD1-NH1 3.11Å; R358-R404 PolarHBondContact N-O 3.39Å; D401-R404 HydrophobicContact CB-CB 4.32Å; D401-R404 PolarHBondContact OD1-N 2.89Å; D401-R404 WeakPolarHBondContact OD2-CD 3.37Å; R404-I406 VanDerWaalsContact C-N 3.3Å; R404-I406 HydrophobicContact CB-CD1 3.65Å; R404-I406 HydrophobicContact CB-CG1 3.68Å; R404-I406 PolarHBondContact O-N 3.07Å
405H97.1Very high96.3Very high112 Ų11236.2 Ų36.252%0.51918%0.176SC..THydrogen-bonded Turntrans53.943.5-179.5-52.178.8000113.2R358 D401 V402 E403R358-H405 CarbonylContact C-O 3.55Å; R358-H405 WeakPolarHBondContact CA-O 3.44Å; R358-H405 HydrophobicContact CG-CB 4.22Å; D401-H405 WeakPolarHBondContact O-CA 3.38Å; D401-H405 PolarHBondContact O-N 3.3Å; V402-H405 PolarHBondContact O-N 2.83Å; E403-H405 VanDerWaalsContact C-N 3.34Å; E403-H405 PolarHBondContact O-CE1 2.82Å; E403-H405 PolarHBondContact O-ND1 3.38Å; E403-H405 VanDerWaalsContact O-ND1 3.16Å
406I98.1Very high96.4Very high3 Ų333.6 Ų33.62%0.01517%0.165CC..EExtended strand (participates in β ladder)trans-101131.7-178.4-47176.6000109.2L356 L383 L400 D401 R404 I408L356-I406 HydrophobicContact CB-CD1 3.77Å; L356-I406 HydrophobicContact CB-CG1 4.45Å; L356-I406 HydrophobicContact CB-CG2 4.16Å; L356-I406 WeakPolarHBondContact O-CG1 3.5Å; L383-I406 HydrophobicContact CD2-CB 4.22Å; L383-I406 HydrophobicContact CD2-CG2 3.96Å; L400-I406 WeakPolarHBondContact CA-O 3.39Å; D401-I406 HydrophobicContact CB-CB 3.92Å; D401-I406 HydrophobicContact CB-CD1 3.92Å; D401-I406 HydrophobicContact CB-CG1 3.99Å; D401-I406 PolarHBondContact N-O 3.22Å; D401-I406 PolarHBondContact O-N 3.3Å; R404-I406 VanDerWaalsContact C-N 3.3Å; R404-I406 HydrophobicContact CB-CD1 3.65Å; R404-I406 HydrophobicContact CB-CG1 3.68Å; R404-I406 PolarHBondContact O-N 3.07Å; I406-I408 HydrophobicContact CG2-CD1 4.39Å; I406-I408 HydrophobicContact CG2-CG1 4.06Å
407L97.9Very high96.5Very high39 Ų3932.8 Ų32.820%0.20416%0.16CC..EExtended strand (participates in β ladder)trans-126.9128167.5-180150.9000109.7K359 L360 I361 Y362 V398 L400 Q409K359-L407 PolarHBondContact O-N 3.27Å; L360-L407 HydrophobicContact CD2-CB 3.71Å; I361-L407 PolarHBondContact N-O 2.91Å; Y362-L407 HydrophobicContact CE1-CD2 4.42Å; V398-L407 HydrophobicContact CG1-CG 4.5Å; L400-L407 HydrophobicContact CD2-CB 4Å; L400-L407 HydrophobicContact CD2-CD1 3.97Å; L400-L407 HydrophobicContact CD2-CG 3.94Å; L407-Q409 HydrophobicContact CD2-CB 3.95Å
408I98.4Very high96.5Very high0 Ų033.1 Ų33.10%016%0.163CC..EExtended strand (participates in β ladder)trans-126.8113.3171-46.3-174000108.3L356 I361 L363 L376 L383 V398 L399 I406L356-I408 HydrophobicContact CD1-CD1 4.31Å; L356-I408 HydrophobicContact CD2-CD1 4.49Å; I361-I408 HydrophobicContact CB-CB 4.45Å; I361-I408 HydrophobicContact CB-CG1 4.23Å; I361-I408 HydrophobicContact CB-CG2 4.17Å; I361-I408 HydrophobicContact CD1-CD1 4.19Å; I361-I408 HydrophobicContact CD1-CG1 4.18Å; I361-I408 HydrophobicContact CG2-CG2 4.12Å; I361-I408 CarbonylContact O-C 3.58Å; I361-I408 WeakPolarHBondContact O-CA 3.47Å; L363-I408 HydrophobicContact CD1-CG2 3.83Å; L363-I408 HydrophobicContact CG-CG2 4.13Å; L376-I408 HydrophobicContact CD1-CD1 3.84Å; L376-I408 HydrophobicContact CD1-CG2 4.34Å; L383-I408 HydrophobicContact CD1-CD1 3.95Å; V398-I408 CarbonylContact C-O 3.57Å; V398-I408 WeakPolarHBondContact CA-O 3.41Å; L399-I408 HydrophobicContact CB-CB 4.24Å; L399-I408 PolarHBondContact N-O 3.34Å; L399-I408 PolarHBondContact O-N 2.79Å; I406-I408 HydrophobicContact CG2-CD1 4.39Å; I406-I408 HydrophobicContact CG2-CG1 4.06Å
409Q97.8Very high96.3Very high43 Ų4333.9 Ų33.920%0.20117%0.168CC..EExtended strand (participates in β ladder)trans-112.7122.2-179.5178.3177.9-65.700109.9I361 Y362 L363 T396 H397 V398 L407I361-Q409 PolarHBondContact O-N 2.91Å; Y362-Q409 HydrophobicContact CD1-CB 4.36Å; L363-Q409 PolarHBondContact N-O 3.17Å; T396-Q409 HydrophobicContact CG2-CG 3.61Å; H397-Q409 CarbonylContact O-C 3.57Å; H397-Q409 WeakPolarHBondContact O-CA 3.36Å; V398-Q409 HydrophobicContact CG2-CG 4.23Å; L407-Q409 HydrophobicContact CD2-CB 3.95Å
410W97.5Very high96.2Very high0 Ų042.1 Ų42.10%020%0.204CC..EExtended strand (participates in β ladder)trans-98.5129.9163.4178.188.2000110.9L363 D366 R370 I373 F394 T396 H397 K412L363-W410 HydrophobicContact CB-CB 4.08Å; L363-W410 HydrophobicContact CB-CG 4.38Å; L363-W410 HydrophobicContact CD1-CB 4.44Å; L363-W410 CarbonylContact O-C 3.51Å; L363-W410 VanDerWaalsContact O-CA 3.26Å; L363-W410 WeakPolarHBondContact O-CA 3.23Å; D366-W410 PolarHBondContact O-NE1 2.99Å; R370-W410 HydrophobicContact CB-CD2 3.87Å; R370-W410 VanDerWaalsContact CB-CE2 3.47Å; R370-W410 HydrophobicContact CB-CE3 4.47Å; R370-W410 HydrophobicContact CB-CG 4.27Å; R370-W410 HydrophobicContact CB-CH2 4.32Å; R370-W410 HydrophobicContact CB-CZ2 3.72Å; R370-W410 HydrophobicContact CG-CD2 3.8Å; R370-W410 HydrophobicContact CG-CE3 3.98Å; R370-W410 HydrophobicContact CG-CG 4.33Å; R370-W410 HydrophobicContact CG-CH2 4.24Å; R370-W410 HydrophobicContact CG-CZ2 4.11Å; R370-W410 HydrophobicContact CG-CZ3 4.18Å; I373-W410 HydrophobicContact CD1-CB 3.86Å; F394-W410 HydrophobicContact CD1-CH2 4.48Å; T396-W410 WeakPolarHBondContact CA-O 3.42Å; H397-W410 HydrophobicContact CB-CB 4.45Å; H397-W410 AromaticContact CD2-CE3 3.58Å; H397-W410 AromaticContact CD2-CZ3 3.82Å; H397-W410 PolarHBondContact N-O 3.44Å; H397-W410 PolarHBondContact O-N 3.1Å; W410-K412 HydrophobicContact CH2-CB 3.65Å; W410-K412 HydrophobicContact CZ2-CB 4.07Å; W410-K412 HydrophobicContact CZ3-CB 4.28Å
411K95.7Very high96.1Very high26 Ų2645.9 Ų45.911%0.11322%0.218CC..EExtended strand (participates in β ladder)trans-129.3133.9173.2-167.4170-177.3174.40110.2L363 G365 D427 E434L363-K411 PolarHBondContact O-N 2.79Å; G365-K411 PolarHBondContact N-O 3.44Å; K411-D427 WeakPolarHBondContact CE-O 3.29Å; K411-D427 PolarHBondContact NZ-O 3.1Å; K411-E434 HydrophobicContact CD-CG 4.27Å; K411-E434 WeakPolarHBondContact CD-OE2 3.39Å; K411-E434 VanDerWaalsContact NZ-CD 3.3Å; K411-E434 IonicContact NZ-OE1 3.91Å; K411-E434 PolarHBondContact NZ-OE1 2.77Å; K411-E434 IonicContact NZ-OE2 2.8Å; K411-E434 PolarHBondContact NZ-OE2 2.81Å
412K95.3Very high96Very high14 Ų1449.2 Ų49.26%0.06124%0.236CC..EExtended strand (participates in β ladder)trans-61.8145176.377.5-173.3-176.378.40110.2G365 F394 W410 F417 F423 S424 E428G365-K412 CarbonylContact O-C 3.58Å; G365-K412 VanDerWaalsContact O-CA 3.29Å; G365-K412 WeakPolarHBondContact O-CA 3.12Å; F394-K412 HydrophobicContact CB-CD 4.02Å; W410-K412 HydrophobicContact CH2-CB 3.65Å; W410-K412 HydrophobicContact CZ2-CB 4.07Å; W410-K412 HydrophobicContact CZ3-CB 4.28Å; K412-F417 HydrophobicContact CB-CE2 4.05Å; K412-F417 HydrophobicContact CB-CZ 4.35Å; K412-F423 HydrophobicContact CD-CD2 4.46Å; K412-F423 VanDerWaalsContact NZ-CD2 3.33Å; K412-S424 WeakPolarHBondContact CE-O 3.04Å; K412-E428 IonicContact NZ-OE1 3.64Å; K412-E428 PolarHBondContact NZ-OE1 2.83Å; K412-E428 IonicContact NZ-OE2 3.85Å; K412-E428 PolarHBondContact NZ-OE2 3.47Å
413H95.6Very high95.9Very high0 Ų043.8 Ų43.80%020%0.202CC..  trans-71.8154.217071.483.3000111.6G365 P416 F417 I431 L450 H453 F454G365-H413 PolarHBondContact O-N 3.26Å; G365-H413 VanDerWaalsContact O-N 3.11Å; H413-P416 PolarHBondContact CE1-O 3.41Å; H413-F417 AromaticContact CE1-CD2 3.86Å; H413-F417 AromaticContact NE2-CD2 3.87Å; H413-I431 HydrophobicContact CB-CD1 3.8Å; H413-I431 HydrophobicContact CB-CG1 3.86Å; H413-L450 HydrophobicContact CB-CD2 3.64Å; H413-H453 AromaticContact CE1-CD2 3.93Å; H413-H453 AromaticContact NE2-CD2 3.2Å; H413-H453 PolarHBondContact NE2-CD2 2.9Å; H413-H453 AromaticContact NE2-CG 3.81Å; H413-F454 AromaticContact CE1-CE2 3.63Å
414G94.1Very high95.8Very high0 Ų036.8 Ų36.80%017%0.172CC..  trans-70.2175.417500000113.8E428 N429G414-E428 WeakPolarHBondContact CA-OE1 3.48Å; G414-N429 PolarHBondContact N-O 2.81Å
415H94.6Very high95.7Very high11 Ų1134.4 Ų34.45%0.05117%0.166CC..SBendtrans-43.3146.6178.9-60.6-67.3000115.3L233 F253 E428 Y430 R465L233-H415 HydrophobicContact CD2-CB 4.08Å; F253-H415 AromaticContact CD1-CD2 3.85Å; F253-H415 AromaticContact CD1-NE2 3.6Å; F253-H415 HydrophobicContact CD2-CB 4.18Å; F253-H415 AromaticContact CD2-CD2 3.92Å; F253-H415 AromaticContact CD2-CG 3.79Å; F253-H415 AromaticContact CE1-CE1 3.74Å; F253-H415 AromaticContact CE1-NE2 3.66Å; F253-H415 AromaticContact CE2-CE1 3.98Å; F253-H415 AromaticContact CE2-ND1 3.77Å; F253-H415 AromaticContact CG-CD2 3.65Å; F253-H415 AromaticContact CG-NE2 3.91Å; F253-H415 AromaticContact CZ-CE1 3.67Å; F253-H415 AromaticContact CZ-ND1 3.92Å; H415-E428 IonicContact CD2-OE1 3.94Å; H415-E428 PolarHBondContact CD2-OE1 3.27Å; H415-E428 IonicContact CE1-OE1 3.61Å; H415-E428 IonicContact CG-OE1 2.85Å; H415-E428 PolarHBondContact N-OE1 2.83Å; H415-E428 IonicContact ND1-OE1 2.8Å; H415-E428 IonicContact NE2-OE1 2.81Å; H415-E428 IonicContact NE2-OE2 3.78Å; H415-Y430 HydrophobicContact CB-CE1 4.21Å; H415-Y430 WeakPolarHBondContact O-CE1 3.43Å; H415-R465 PolarHBondContact O-NH1 2.98Å; H415-R465 VanDerWaalsContact O-NH1 3.15Å; H415-R465 PolarHBondContact O-NH2 3.46Å
416P95.4Very high95.3Very high0 Ų036.1 Ų36.10%017%0.172CC..SBendcis-70.2133.6-7.325.9-32.6000112.7F216 L233 H413 H453 F454 F457 I461F216-P416 HydrophobicContact CZ-CB 3.92Å; L233-P416 HydrophobicContact CD1-CB 4.01Å; L233-P416 HydrophobicContact CD1-CG 4.12Å; H413-P416 PolarHBondContact CE1-O 3.41Å; P416-H453 WeakPolarHBondContact O-CB 3.34Å; P416-F454 HydrophobicContact CG-CD1 3.81Å; P416-F454 HydrophobicContact CG-CD2 4.41Å; P416-F454 HydrophobicContact CG-CE1 3.79Å; P416-F454 HydrophobicContact CG-CE2 4.36Å; P416-F454 HydrophobicContact CG-CG 4.14Å; P416-F454 HydrophobicContact CG-CZ 4.05Å; P416-F457 HydrophobicContact CB-CD2 3.86Å; P416-F457 HydrophobicContact CB-CE1 4.39Å; P416-F457 HydrophobicContact CB-CE2 3.44Å; P416-F457 VanDerWaalsContact CB-CE2 3.44Å; P416-F457 HydrophobicContact CB-CG 4.48Å; P416-F457 HydrophobicContact CB-CZ 3.75Å; P416-F457 HydrophobicContact CG-CD2 3.91Å; P416-F457 HydrophobicContact CG-CE2 4.03Å; P416-F457 HydrophobicContact CG-CG 4.45Å; P416-I461 HydrophobicContact CG-CG2 4.38Å
417F95.7Very high94.6Very high0 Ų039.1 Ų39.10%019%0.188CC..  trans-126.799.5174-165.9-93000110.1F394 K412 H413 T419 F423 H453F394-F417 AromaticContact CD1-CE1 3.84Å; F394-F417 HydrophobicContact CD1-CE1 3.84Å; F394-F417 AromaticContact CD1-CZ 3.73Å; F394-F417 HydrophobicContact CD1-CZ 3.73Å; F394-F417 HydrophobicContact CD2-CE1 4.42Å; F394-F417 AromaticContact CE1-CE1 3.74Å; F394-F417 HydrophobicContact CE1-CE1 3.74Å; F394-F417 AromaticContact CE1-CZ 3.72Å; F394-F417 HydrophobicContact CE1-CZ 3.72Å; F394-F417 HydrophobicContact CE2-CE1 4.27Å; F394-F417 HydrophobicContact CG-CE1 4.18Å; F394-F417 HydrophobicContact CG-CZ 4.42Å; F394-F417 AromaticContact CZ-CE1 3.95Å; F394-F417 HydrophobicContact CZ-CE1 3.95Å; F394-F417 HydrophobicContact CZ-CZ 4.38Å; K412-F417 HydrophobicContact CB-CE2 4.05Å; K412-F417 HydrophobicContact CB-CZ 4.35Å; H413-F417 AromaticContact CE1-CD2 3.86Å; H413-F417 AromaticContact NE2-CD2 3.87Å; F417-T419 HydrophobicContact CD1-CG2 3.74Å; F417-T419 HydrophobicContact CE1-CG2 3.75Å; F417-F423 HydrophobicContact CB-CE1 4.46Å; F417-F423 HydrophobicContact CB-CZ 4Å; F417-F423 HydrophobicContact CD1-CD1 4.04Å; F417-F423 AromaticContact CD1-CE1 3.8Å; F417-F423 HydrophobicContact CD1-CE1 3.8Å; F417-F423 HydrophobicContact CD1-CE2 4.46Å; F417-F423 HydrophobicContact CD1-CG 4.47Å; F417-F423 HydrophobicContact CD1-CZ 4.03Å; F417-F423 HydrophobicContact CG-CZ 4.44Å; F417-H453 AromaticContact CE2-CE1 4Å; F417-H453 AromaticContact CE2-NE2 3.62Å; F417-H453 AromaticContact CZ-NE2 3.96Å
418V95.2Very high94Very high23 Ų2338.6 Ų38.614%0.13919%0.185CC..  trans-85.1113.4-173.7-176.50000111.6I214 H453 F457I214-V418 HydrophobicContact CD1-CG1 4.18Å; I214-V418 HydrophobicContact CG2-CG2 4.34Å; V418-H453 HydrophobicContact CB-CB 4.45Å; V418-H453 HydrophobicContact CG2-CB 4.32Å; V418-H453 WeakPolarHBondContact CG2-O 3.46Å; V418-H453 PolarHBondContact N-ND1 2.87Å; V418-H453 PolarHBondContact O-CE1 3.05Å; V418-H453 PolarHBondContact O-ND1 3.35Å; V418-F457 HydrophobicContact CG2-CE2 3.56Å; V418-F457 HydrophobicContact CG2-CZ 4.04Å
419T94.9Very high93.7Very high23 Ų2340.7 Ų40.714%0.14120%0.195CC..  trans-162.5146.2174.71770000111.3T270 T271 F394 F417 K421 F423T270-T419 PolarHBondContact OG1-O 2.87Å; T271-T419 PolarHBondContact N-O 3Å; T271-T419 PolarHBondContact OG1-N 3.14Å; T271-T419 PolarHBondContact OG1-O 3.27Å; F394-T419 HydrophobicContact CE2-CG2 3.83Å; F394-T419 HydrophobicContact CZ-CG2 4.02Å; F394-T419 WeakPolarHBondContact CZ-OG1 3.04Å; F417-T419 HydrophobicContact CD1-CG2 3.74Å; F417-T419 HydrophobicContact CE1-CG2 3.75Å; T419-K421 VanDerWaalsContact C-N 3.28Å; T419-K421 WeakPolarHBondContact CG2-O 3.35Å; T419-K421 PolarHBondContact OG1-N 2.81Å; T419-K421 VanDerWaalsContact OG1-N 3.13Å; T419-F423 HydrophobicContact CG2-CD1 3.45Å; T419-F423 VanDerWaalsContact CG2-CD1 3.45Å; T419-F423 HydrophobicContact CG2-CE1 3.69Å
420K94.8Very high93.6Very high173 Ų17339.8 Ų39.875%0.75219%0.19SC*.SBendtrans-78.7-13.7172.4-65.1-175.9179.8-178.60113.1T270T270-K420 PolarHBondContact OG1-O 3.17Å
421K95.1Very high93.6Very high124 Ų12439.9 Ų39.954%0.53919%0.191SC..SBendtrans-84.7128.7179.9-73.9-179179.4-172.70109.4I393 F394 T419 F423I393-K421 HydrophobicContact CD1-CD 3.62Å; I393-K421 HydrophobicContact CG1-CD 4.21Å; F394-K421 HydrophobicContact CE2-CB 3.75Å; F394-K421 HydrophobicContact CE2-CD 4.49Å; F394-K421 HydrophobicContact CZ-CB 4.45Å; T419-K421 VanDerWaalsContact C-N 3.28Å; T419-K421 WeakPolarHBondContact CG2-O 3.35Å; T419-K421 PolarHBondContact OG1-N 2.81Å; T419-K421 VanDerWaalsContact OG1-N 3.13Å; K421-F423 PolarHBondContact O-N 3.15Å
422L94.3Very high93.7Very high80 Ų8038.7 Ų38.742%0.41919%0.186SC..  trans-58.6129.6174.3-167.768.5000110.2L219 F228 H268 T270L219-L422 HydrophobicContact CD2-CD2 3.95Å; F228-L422 HydrophobicContact CE1-CD1 4.42Å; H268-L422 HydrophobicContact CB-CD1 3.57Å; H268-L422 HydrophobicContact CB-CD2 4.1Å; H268-L422 HydrophobicContact CB-CG 3.64Å; T270-L422 HydrophobicContact CG2-CD1 4.31Å
423F94.2Very high93.8Very high4 Ų441.6 Ų41.62%0.01820%0.197CC..EExtended strand (participates in β ladder)trans-130.8144.3-179.565.5-94.6000111.4H268 V269 F394 K412 F417 T419 K421 V425H268-F423 CarbonylContact C-O 3.47Å; H268-F423 WeakPolarHBondContact CA-O 3.14Å; H268-F423 VanDerWaalsContact CB-O 3.25Å; H268-F423 WeakPolarHBondContact CB-O 3.18Å; V269-F423 HydrophobicContact CB-CE1 4.13Å; V269-F423 HydrophobicContact CB-CE2 4Å; V269-F423 HydrophobicContact CB-CZ 3.71Å; V269-F423 HydrophobicContact CG1-CE1 4.1Å; V269-F423 HydrophobicContact CG1-CZ 3.79Å; V269-F423 PolarHBondContact N-O 3.32Å; V269-F423 WeakPolarHBondContact O-CD1 3.46Å; V269-F423 WeakPolarHBondContact O-CE1 3.17Å; V269-F423 PolarHBondContact O-N 3.03Å; F394-F423 HydrophobicContact CB-CB 4.17Å; F394-F423 HydrophobicContact CD2-CB 3.62Å; F394-F423 HydrophobicContact CE2-CB 4.38Å; F394-F423 HydrophobicContact CG-CB 4.26Å; K412-F423 HydrophobicContact CD-CD2 4.46Å; K412-F423 VanDerWaalsContact NZ-CD2 3.33Å; F417-F423 HydrophobicContact CB-CE1 4.46Å; F417-F423 HydrophobicContact CB-CZ 4Å; F417-F423 HydrophobicContact CD1-CD1 4.04Å; F417-F423 AromaticContact CD1-CE1 3.8Å; F417-F423 HydrophobicContact CD1-CE1 3.8Å; F417-F423 HydrophobicContact CD1-CE2 4.46Å; F417-F423 HydrophobicContact CD1-CG 4.47Å; F417-F423 HydrophobicContact CD1-CZ 4.03Å; F417-F423 HydrophobicContact CG-CZ 4.44Å; T419-F423 HydrophobicContact CG2-CD1 3.45Å; T419-F423 VanDerWaalsContact CG2-CD1 3.45Å; T419-F423 HydrophobicContact CG2-CE1 3.69Å; K421-F423 PolarHBondContact O-N 3.15Å; F423-V425 HydrophobicContact CD2-CG1 4.09Å; F423-V425 HydrophobicContact CE2-CG1 3.77Å
424S93.6Very high93.8Very high25 Ų2542.6 Ų42.618%0.17520%0.201CC..EExtended strand (participates in β ladder)trans-67.4140.7176.8171.10000110.8T267 H268 K412 K426 D427T267-S424 WeakPolarHBondContact O-CA 3.29Å; H268-S424 PolarHBondContact CD2-N 2.82Å; K412-S424 WeakPolarHBondContact CE-O 3.04Å; S424-K426 PolarHBondContact OG-N 3.32Å; S424-D427 PolarHBondContact OG-OD1 3.16Å
425V93.4Very high94Very high22 Ų2242.6 Ų42.613%0.13320%0.201CC..  trans-112.24.3170.3-53.40000112.6L266 T267 V269 F423 D427 E428L266-V425 HydrophobicContact CD2-CG2 3.96Å; L266-V425 HydrophobicContact CG-CG2 3.76Å; T267-V425 PolarHBondContact O-N 3.22Å; V269-V425 HydrophobicContact CB-CG1 3.92Å; V269-V425 HydrophobicContact CG2-CG1 3.57Å; F423-V425 HydrophobicContact CD2-CG1 4.09Å; F423-V425 HydrophobicContact CE2-CG1 3.77Å; V425-D427 VanDerWaalsContact C-N 3.29Å; V425-D427 PolarHBondContact O-N 2.83Å; V425-E428 HydrophobicContact CB-CB 4.35Å; V425-E428 WeakPolarHBondContact CG1-OE2 3.31Å; V425-E428 PolarHBondContact O-N 2.02Å
426K89.4Confident94.2Very high148 Ų14844 Ų4464%0.64321%0.209SC*.THydrogen-bonded Turntrans-66.8-28.7-177.1-60.2-179.3-177.3-178.50113.7T267 S424T267-K426 VanDerWaalsContact CB-CE 3.47Å; T267-K426 VanDerWaalsContact CG2-CE 3.43Å; S424-K426 PolarHBondContact OG-N 3.32Å
427D83.4Confident94.2Very high67 Ų6752.4 Ų52.436%0.35824%0.241SC..THydrogen-bonded Turntrans-118.315.3-177.962.9-36.6000112.1K411 S424 V425K411-D427 WeakPolarHBondContact CE-O 3.29Å; K411-D427 PolarHBondContact NZ-O 3.1Å; S424-D427 PolarHBondContact OG-OD1 3.16Å; V425-D427 VanDerWaalsContact C-N 3.29Å; V425-D427 PolarHBondContact O-N 2.83Å
428E86.6Confident94.3Very high28 Ų2852.8 Ų52.813%0.13124%0.243CC..  trans-77.8141.3-178.9179.9163.1-173.700112.2K412 G414 H415 V425K412-E428 IonicContact NZ-OE1 3.64Å; K412-E428 PolarHBondContact NZ-OE1 2.83Å; K412-E428 IonicContact NZ-OE2 3.85Å; K412-E428 PolarHBondContact NZ-OE2 3.47Å; G414-E428 WeakPolarHBondContact CA-OE1 3.48Å; H415-E428 IonicContact CD2-OE1 3.94Å; H415-E428 PolarHBondContact CD2-OE1 3.27Å; H415-E428 IonicContact CE1-OE1 3.61Å; H415-E428 IonicContact CG-OE1 2.85Å; H415-E428 PolarHBondContact N-OE1 2.83Å; H415-E428 IonicContact ND1-OE1 2.8Å; H415-E428 IonicContact NE2-OE1 2.81Å; H415-E428 IonicContact NE2-OE2 3.78Å; V425-E428 HydrophobicContact CB-CB 4.35Å; V425-E428 WeakPolarHBondContact CG1-OE2 3.31Å; V425-E428 PolarHBondContact O-N 2.02Å
429N91.2Very high94.3Very high43 Ų4355.8 Ų55.823%0.2327%0.27CS..  trans-148.5159.9169.9-78.2-48.3000109.2G414 R433 E434 R437G414-N429 PolarHBondContact N-O 2.81Å; N429-R433 HydrophobicContact CB-CB 4.35Å; N429-E434 HydrophobicContact CB-CG 3.97Å; N429-E434 WeakPolarHBondContact CB-OE1 3.34Å; N429-E434 PolarHBondContact ND2-OE1 3.06Å; N429-R437 PolarHBondContact ND2-NH1 3.37Å
430Y95.8Very high94.4Very high24 Ų2455.4 Ų55.49%0.09427%0.271CS..  trans-74.2147.7167.9-60.5-55000111.3D246 E251 H415 P432 R433 E434D246-Y430 HydrophobicContact CB-CD2 4.02Å; D246-Y430 HydrophobicContact CB-CE2 3.97Å; E251-Y430 HydrophobicContact CB-CD2 4.03Å; E251-Y430 HydrophobicContact CB-CE2 3.5Å; E251-Y430 VanDerWaalsContact CB-CE2 3.5Å; E251-Y430 HydrophobicContact CG-CD2 4.41Å; E251-Y430 HydrophobicContact CG-CE2 4.32Å; H415-Y430 HydrophobicContact CB-CE1 4.21Å; H415-Y430 WeakPolarHBondContact O-CE1 3.43Å; Y430-P432 VanDerWaalsContact C-CD 3.41Å; Y430-P432 VanDerWaalsContact C-N 3.31Å; Y430-R433 WeakPolarHBondContact O-CB 3.03Å; Y430-R433 PolarHBondContact O-N 3.32Å; Y430-E434 PolarHBondContact O-N 3.05Å
431I97.6Very high94.5Very high3 Ų350.4 Ų50.42%0.01525%0.253CS..Hα-helixtrans-50.6-43.9179.8-65.1-171000112.7M364 H413 R433 E434 I435 I448 L450 I469M364-I431 HydrophobicContact CB-CD1 4.01Å; M364-I431 HydrophobicContact CB-CG1 4.14Å; M364-I431 HydrophobicContact CB-CG2 4.28Å; M364-I431 HydrophobicContact SD-CG2 4.01Å; H413-I431 HydrophobicContact CB-CD1 3.8Å; H413-I431 HydrophobicContact CB-CG1 3.86Å; I431-R433 VanDerWaalsContact C-N 3.27Å; I431-R433 PolarHBondContact O-N 3.11Å; I431-E434 PolarHBondContact O-N 3.23Å; I431-E434 VanDerWaalsContact O-N 3.1Å; I431-I435 HydrophobicContact CG2-CD1 3.7Å; I431-I435 HydrophobicContact CG2-CG1 4.12Å; I431-I435 WeakPolarHBondContact O-CG1 3.33Å; I431-I435 PolarHBondContact O-N 3.06Å; I431-I448 HydrophobicContact CD1-CG2 3.91Å; I431-I448 HydrophobicContact CG2-CD1 4.23Å; I431-I448 HydrophobicContact CG2-CG1 4.43Å; I431-I448 HydrophobicContact CG2-CG2 4.4Å; I431-L450 HydrophobicContact CD1-CD1 4.19Å; I431-L450 HydrophobicContact CD1-CD2 3.69Å; I431-L450 HydrophobicContact CD1-CG 4Å; I431-I469 HydrophobicContact CB-CD1 3.93Å; I431-I469 HydrophobicContact CB-CG1 4.1Å; I431-I469 HydrophobicContact CD1-CD1 4.28Å; I431-I469 HydrophobicContact CG2-CD1 3.88Å; I431-I469 HydrophobicContact CG2-CG1 3.91Å
432P97.6Very high94.6Very high1 Ų150.5 Ų50.51%0.00625%0.253CS..Hα-helixtrans-54.2-40.8176.1-29.137000113.8D249 Y430 I435 D436 N468 I469 A472D249-P432 VanDerWaalsContact OD2-CB 3.27Å; D249-P432 WeakPolarHBondContact OD2-CB 3.43Å; Y430-P432 VanDerWaalsContact C-CD 3.41Å; Y430-P432 VanDerWaalsContact C-N 3.31Å; P432-I435 PolarHBondContact O-N 3.23Å; P432-D436 PolarHBondContact O-N 3.09Å; P432-D436 VanDerWaalsContact O-N 3.13Å; P432-D436 VanDerWaalsContact O-OD2 3.1Å; P432-N468 HydrophobicContact CG-CB 3.81Å; P432-I469 HydrophobicContact CG-CG1 3.75Å; P432-A472 HydrophobicContact CB-CB 3.88Å
433R96.5Very high94.7Very high75 Ų7548.9 Ų48.928%0.28325%0.245SC..Hα-helixtrans-69.3-36.1178.4-65.1-71.8-179.9173.412.5112D246 R248 N429 Y430 I431 R437D246-R433 IonicContact OD1-CZ 2.69Å; D246-R433 IonicContact OD1-NE 3.19Å; D246-R433 PolarHBondContact OD1-NE 2.85Å; D246-R433 IonicContact OD1-NH2 3.43Å; D246-R433 PolarHBondContact OD1-NH2 3.46Å; D246-R433 WeakPolarHBondContact OD2-CG 3.48Å; D246-R433 IonicContact OD2-CZ 3.3Å; D246-R433 IonicContact OD2-NE 2.85Å; D246-R433 PolarHBondContact OD2-NE 3.41Å; D246-R433 IonicContact OD2-NH2 2.87Å; R248-R433 VanDerWaalsContact CZ-CZ 3.41Å; R248-R433 VanDerWaalsContact NH1-NH1 3.15Å; R248-R433 VanDerWaalsContact NH2-CD 3.27Å; N429-R433 HydrophobicContact CB-CB 4.35Å; Y430-R433 WeakPolarHBondContact O-CB 3.03Å; Y430-R433 PolarHBondContact O-N 3.32Å; I431-R433 VanDerWaalsContact C-N 3.27Å; I431-R433 PolarHBondContact O-N 3.11Å; R433-R437 WeakPolarHBondContact O-CG 3.47Å
434E97.1Very high95Very high20 Ų2048.9 Ų48.99%0.09325%0.245CC..Hα-helixtrans-68.4-42.5174.9-66.6-66.7138.100111.4M364 K411 N429 Y430 I431 D436 R437 V438M364-E434 HydrophobicContact CE-CB 3.88Å; M364-E434 HydrophobicContact SD-CB 3.76Å; K411-E434 HydrophobicContact CD-CG 4.27Å; K411-E434 WeakPolarHBondContact CD-OE2 3.39Å; K411-E434 VanDerWaalsContact NZ-CD 3.3Å; K411-E434 IonicContact NZ-OE1 3.91Å; K411-E434 PolarHBondContact NZ-OE1 2.77Å; K411-E434 IonicContact NZ-OE2 2.8Å; K411-E434 PolarHBondContact NZ-OE2 2.81Å; N429-E434 HydrophobicContact CB-CG 3.97Å; N429-E434 WeakPolarHBondContact CB-OE1 3.34Å; N429-E434 PolarHBondContact ND2-OE1 3.06Å; Y430-E434 PolarHBondContact O-N 3.05Å; I431-E434 PolarHBondContact O-N 3.23Å; I431-E434 VanDerWaalsContact O-N 3.1Å; E434-D436 VanDerWaalsContact C-N 3.32Å; E434-D436 PolarHBondContact O-N 3.11Å; E434-R437 PolarHBondContact O-N 3.02Å; E434-R437 VanDerWaalsContact O-N 3.11Å; E434-V438 PolarHBondContact O-N 3.46Å
435I98.5Very high95.2Very high0 Ų047.8 Ų47.80%024%0.237CC..Hα-helixtrans-58.4-44.4175.4-68.9168.8000110.9M364 I431 P432 R437 V438 I446 I448 I469 A472 I473 L476 R479M364-I435 HydrophobicContact CE-CG1 4.33Å; M364-I435 HydrophobicContact SD-CG1 3.91Å; I431-I435 HydrophobicContact CG2-CD1 3.7Å; I431-I435 HydrophobicContact CG2-CG1 4.12Å; I431-I435 WeakPolarHBondContact O-CG1 3.33Å; I431-I435 PolarHBondContact O-N 3.06Å; P432-I435 PolarHBondContact O-N 3.23Å; I435-R437 PolarHBondContact O-N 3.13Å; I435-R437 VanDerWaalsContact O-N 3.15Å; I435-V438 WeakPolarHBondContact O-CB 3.3Å; I435-V438 PolarHBondContact O-N 3.48Å; I435-I446 HydrophobicContact CG1-CD1 4.46Å; I435-I448 HydrophobicContact CD1-CD1 3.76Å; I435-I469 HydrophobicContact CD1-CG2 4.09Å; I435-A472 HydrophobicContact CB-CB 4.02Å; I435-A472 HydrophobicContact CD1-CB 4.09Å; I435-A472 HydrophobicContact CG2-CB 3.94Å; I435-A472 WeakPolarHBondContact CG2-O 3.41Å; I435-I473 HydrophobicContact CD1-CG1 4.1Å; I435-L476 HydrophobicContact CG2-CB 4.02Å; I435-L476 HydrophobicContact CG2-CD2 4.13Å; I435-R479 PolarHBondContact O-NH2 3.2Å
436D97.3Very high95.5Very high41 Ų4146.7 Ų46.722%0.21923%0.231CC..Hα-helixtrans-63.1-18.8179.6-70.7-39.5000114R248 P432 E434 R475 R479R248-D436 IonicContact CZ-OD2 3.75Å; R248-D436 IonicContact NH1-OD2 2.78Å; R248-D436 PolarHBondContact NH1-OD2 3.26Å; R248-D436 IonicContact NH2-OD2 3.7Å; R248-D436 PolarHBondContact NH2-OD2 3.3Å; P432-D436 PolarHBondContact O-N 3.09Å; P432-D436 VanDerWaalsContact O-N 3.13Å; P432-D436 VanDerWaalsContact O-OD2 3.1Å; E434-D436 VanDerWaalsContact C-N 3.32Å; E434-D436 PolarHBondContact O-N 3.11Å; D436-R475 IonicContact OD1-CZ 2.66Å; D436-R475 IonicContact OD1-NE 3.09Å; D436-R475 PolarHBondContact OD1-NE 3.13Å; D436-R475 IonicContact OD1-NH2 3.65Å; D436-R475 PolarHBondContact OD1-NH2 2.82Å; D436-R475 IonicContact OD2-CZ 3.63Å; D436-R475 IonicContact OD2-NE 2.67Å; D436-R475 IonicContact OD2-NH2 3.2Å; D436-R475 PolarHBondContact OD2-NH2 2.84Å; D436-R479 IonicContact OD1-NH1 2.66Å; D436-R479 IonicContact OD1-NH2 2.65Å
437R96.1Very high95.9Very high177 Ų17739.7 Ų39.767%0.66820%0.2SC*.THydrogen-bonded Turntrans-91.6-9.1176-66.4175.1-177.8-170.70.7113.5N429 R433 E434 I435 A439N429-R437 PolarHBondContact ND2-NH1 3.37Å; R433-R437 WeakPolarHBondContact O-CG 3.47Å; E434-R437 PolarHBondContact O-N 3.02Å; E434-R437 VanDerWaalsContact O-N 3.11Å; I435-R437 PolarHBondContact O-N 3.13Å; I435-R437 VanDerWaalsContact O-N 3.15Å; R437-A439 PolarHBondContact O-N 2.98Å
438V97.6Very high96.6Very high7 Ų736.8 Ų36.84%0.04219%0.185CC..  trans-76.7121.3175.8179.10000109Y362 M364 E434 I435 T444 I446Y362-V438 HydrophobicContact CD2-CG1 4.16Å; Y362-V438 HydrophobicContact CD2-CG2 4.14Å; Y362-V438 HydrophobicContact CE2-CG1 3.93Å; Y362-V438 HydrophobicContact CE2-CG2 4.3Å; Y362-V438 HydrophobicContact CG-CG2 4.25Å; M364-V438 HydrophobicContact CE-CG2 3.88Å; E434-V438 PolarHBondContact O-N 3.46Å; I435-V438 WeakPolarHBondContact O-CB 3.3Å; I435-V438 PolarHBondContact O-N 3.48Å; V438-T444 HydrophobicContact CG1-CG2 3.74Å; V438-I446 HydrophobicContact CB-CD1 4.18Å; V438-I446 HydrophobicContact CG1-CD1 4.11Å; V438-I446 HydrophobicContact CG2-CD1 3.99Å
439A95.6Very high97.1Very high86 Ų8635.5 Ų35.571%0.71118%0.179SC*.  trans-59.9-49.717500000110.9R437 S480R437-A439 PolarHBondContact O-N 2.98Å; A439-S480 PolarHBondContact O-OG 2.82Å
440G96.6Very high97.2Very high15 Ų1534.2 Ų34.216%0.15517%0.172CC..  trans76138.1173.400000113.6S480 T483G440-S480 PolarHBondContact O-OG 3.39Å; G440-T483 VanDerWaalsContact CA-OG1 3.29Å; G440-T483 WeakPolarHBondContact CA-OG1 3.27Å
441D97.1Very high97.1Very high69 Ų6933 Ų3337%0.36917%0.167SC..  trans-164.6-175.2174.264.814.2000109.3N443 T444 T483D441-N443 PolarHBondContact O-N 2.81Å; D441-N443 VanDerWaalsContact O-N 3.14Å; D441-N443 VanDerWaalsContact OD1-C 3.26Å; D441-N443 WeakPolarHBondContact OD1-CA 3.24Å; D441-N443 PolarHBondContact OD1-N 2.84Å; D441-T444 PolarHBondContact N-OG1 3.23Å; D441-T444 PolarHBondContact O-N 3.29Å; D441-T444 WeakPolarHBondContact OD1-CB 3.32Å; D441-T444 PolarHBondContact OD1-N 3.45Å; D441-T444 PolarHBondContact OD1-OG1 3.15Å; D441-T483 PolarHBondContact N-OG1 3.27Å; D441-T483 WeakPolarHBondContact O-CA 3.38Å
442K96.8Very high97Very high125 Ų12533.2 Ų33.254%0.54317%0.168SC..THydrogen-bonded Turntrans-60.6-18.6176.870.1-177.9-179.2-178.20115.5E482K442-E482 HydrophobicContact CB-CB 3.82Å; K442-E482 HydrophobicContact CB-CG 4.47Å
443N97.8Very high96.9Very high47 Ų4733.9 Ų33.925%0.25117%0.171SC..THydrogen-bonded Turntrans-103.33.9179.3-65.6-39000112.4R358 K359 L360 D441R358-N443 WeakPolarHBondContact O-CB 3.34Å; K359-N443 VanDerWaalsContact CA-O 3.24Å; K359-N443 WeakPolarHBondContact CA-O 3.46Å; K359-N443 WeakPolarHBondContact CB-O 3.47Å; L360-N443 PolarHBondContact N-O 3.37Å; D441-N443 PolarHBondContact O-N 2.81Å; D441-N443 VanDerWaalsContact O-N 3.14Å; D441-N443 VanDerWaalsContact OD1-C 3.26Å; D441-N443 WeakPolarHBondContact OD1-CA 3.24Å; D441-N443 PolarHBondContact OD1-N 2.84Å
444T98.6Very high96.9Very high3 Ų330.4 Ų30.42%0.01816%0.158CC..EExtended strand (participates in β ladder)trans-99.1132.9179.4-58.20000110.1L360 Y362 V438 D441 T483 K484L360-T444 CarbonylContact O-C 3.58Å; L360-T444 WeakPolarHBondContact O-CA 3.38Å; Y362-T444 HydrophobicContact CD2-CG2 4.07Å; Y362-T444 HydrophobicContact CE2-CG2 3.91Å; V438-T444 HydrophobicContact CG1-CG2 3.74Å; D441-T444 PolarHBondContact N-OG1 3.23Å; D441-T444 PolarHBondContact O-N 3.29Å; D441-T444 WeakPolarHBondContact OD1-CB 3.32Å; D441-T444 PolarHBondContact OD1-N 3.45Å; D441-T444 PolarHBondContact OD1-OG1 3.15Å; T444-T483 HydrophobicContact CG2-CG2 3.98Å; T444-K484 PolarHBondContact O-N 2.9Å
445A98.7Very high96.8Very high2 Ų229.4 Ų29.42%0.01715%0.153CC..EExtended strand (participates in β ladder)trans-127.7138.4173.200000111.5L360 I361 Y362 K484 F554 I558L360-A445 PolarHBondContact O-N 2.91Å; I361-A445 CarbonylContact C-O 3.45Å; I361-A445 WeakPolarHBondContact CA-O 3.4Å; I361-A445 HydrophobicContact CG1-CB 4.39Å; Y362-A445 PolarHBondContact N-O 3.41Å; A445-K484 CarbonylContact C-O 3.5Å; A445-K484 VanDerWaalsContact CA-O 3.23Å; A445-K484 WeakPolarHBondContact CA-O 3.24Å; A445-K484 HydrophobicContact CB-CB 4.27Å; A445-F554 HydrophobicContact CB-CE2 4.02Å; A445-F554 HydrophobicContact CB-CZ 4.13Å; A445-I558 HydrophobicContact CB-CG2 3.81Å
446I98.9Very high96.6Very high0 Ų030 Ų300%016%0.157CC..EExtended strand (participates in β ladder)trans-117.4127.6173.6-53.4-179.3000108.2Y362 M364 I435 V438 I448 L476 T483 K484 V485 I486Y362-I446 CarbonylContact O-C 3.58Å; Y362-I446 WeakPolarHBondContact O-CA 3.48Å; M364-I446 HydrophobicContact CE-CG2 4.06Å; M364-I446 HydrophobicContact CG-CG2 4.49Å; M364-I446 HydrophobicContact SD-CG2 4.1Å; I435-I446 HydrophobicContact CG1-CD1 4.46Å; V438-I446 HydrophobicContact CB-CD1 4.18Å; V438-I446 HydrophobicContact CG1-CD1 4.11Å; V438-I446 HydrophobicContact CG2-CD1 3.99Å; I446-I448 HydrophobicContact CG2-CD1 4.31Å; I446-I448 HydrophobicContact CG2-CG1 3.94Å; I446-L476 HydrophobicContact CD1-CD2 3.5Å; I446-T483 HydrophobicContact CD1-CG2 4.49Å; I446-T483 HydrophobicContact CG1-CG2 4.4Å; I446-K484 PolarHBondContact N-O 3.13Å; I446-V485 HydrophobicContact CB-CG1 4.48Å; I446-V485 HydrophobicContact CB-CG2 4.36Å; I446-V485 CarbonylContact O-C 3.58Å; I446-V485 WeakPolarHBondContact O-CA 3.46Å; I446-I486 PolarHBondContact O-N 3.39Å
447V98.8Very high96.6Very high0 Ų029 Ų290%015%0.151CC..EExtended strand (participates in β ladder)trans-113.6127.7172.5-170.40000108.9Y362 L363 M364 L369 W372 I486 K488 F554Y362-V447 PolarHBondContact O-N 2.72Å; L363-V447 HydrophobicContact CD2-CB 3.67Å; L363-V447 HydrophobicContact CD2-CG2 3.63Å; M364-V447 PolarHBondContact N-O 2.95Å; L369-V447 HydrophobicContact CD1-CB 4.39Å; L369-V447 HydrophobicContact CD1-CG1 3.73Å; L369-V447 HydrophobicContact CD2-CB 4.39Å; L369-V447 HydrophobicContact CD2-CG1 4.23Å; L369-V447 WeakPolarHBondContact CD2-O 3.42Å; W372-V447 HydrophobicContact CH2-CG1 4.22Å; W372-V447 HydrophobicContact CZ3-CG1 4.2Å; W372-V447 HydrophobicContact CZ3-CG2 4.26Å; V447-I486 CarbonylContact C-O 3.27Å; V447-I486 VanDerWaalsContact CA-O 3.29Å; V447-I486 WeakPolarHBondContact CA-O 3.37Å; V447-I486 HydrophobicContact CG2-CB 4.43Å; V447-K488 HydrophobicContact CG1-CB 4.41Å; V447-F554 HydrophobicContact CG2-CD2 3.61Å; V447-F554 HydrophobicContact CG2-CE2 3.37Å; V447-F554 HydrophobicContact CG2-CG 4.5Å; V447-F554 HydrophobicContact CG2-CZ 4.11Å
448I98.7Very high96.5Very high7 Ų721.9 Ų21.94%0.03613%0.128CC..EExtended strand (participates in β ladder)trans-116.4134-177.6-56.8172.9000109.4M364 I431 I435 I446 L450 I469 I473 V485 I486 L487 K488M364-I448 WeakPolarHBondContact O-CA 3.42Å; I431-I448 HydrophobicContact CD1-CG2 3.91Å; I431-I448 HydrophobicContact CG2-CD1 4.23Å; I431-I448 HydrophobicContact CG2-CG1 4.43Å; I431-I448 HydrophobicContact CG2-CG2 4.4Å; I435-I448 HydrophobicContact CD1-CD1 3.76Å; I446-I448 HydrophobicContact CG2-CD1 4.31Å; I446-I448 HydrophobicContact CG2-CG1 3.94Å; I448-L450 HydrophobicContact CG2-CG 4.43Å; I448-I469 HydrophobicContact CD1-CG2 3.68Å; I448-I469 HydrophobicContact CG2-CD1 4.43Å; I448-I473 HydrophobicContact CD1-CD1 4.08Å; I448-V485 HydrophobicContact CD1-CG1 4.2Å; I448-I486 PolarHBondContact N-O 3.45Å; I448-L487 HydrophobicContact CB-CD2 3.98Å; I448-L487 HydrophobicContact CD1-CD2 4.25Å; I448-K488 PolarHBondContact O-N 3.15Å
449T97.3Very high96.5Very high1 Ų121.6 Ų21.61%0.00613%0.126CC..EExtended strand (participates in β ladder)trans-139.8126.5170.3-55.10000110.4M364 G365 D366 K488M364-T449 PolarHBondContact O-N 2.83Å; M364-T449 VanDerWaalsContact O-N 3.1Å; G365-T449 WeakPolarHBondContact CA-O 3.33Å; D366-T449 PolarHBondContact N-O 3.07Å; T449-K488 HydrophobicContact CG2-CD 4.42Å; T449-K488 HydrophobicContact CG2-CG 4.41Å; T449-K488 WeakPolarHBondContact OG1-CB 3.39Å
450L92.9Very high96.5Very high15 Ų1520.5 Ų20.58%0.07911%0.108CC..  trans-137.9157.2176.3-66.6171.8000109.6H413 I431 I448 F454 F462 R465 I469 E490H413-L450 HydrophobicContact CB-CD2 3.64Å; I431-L450 HydrophobicContact CD1-CD1 4.19Å; I431-L450 HydrophobicContact CD1-CD2 3.69Å; I431-L450 HydrophobicContact CD1-CG 4Å; I448-L450 HydrophobicContact CG2-CG 4.43Å; L450-F454 HydrophobicContact CB-CE2 4.47Å; L450-F454 HydrophobicContact CD2-CE2 3.94Å; L450-F462 HydrophobicContact CB-CE2 4.11Å; L450-R465 HydrophobicContact CD1-CG 3.91Å; L450-I469 HydrophobicContact CD1-CD1 3.21Å; L450-I469 HydrophobicContact CG-CD1 4.46Å; L450-E490 VanDerWaalsContact O-CG 3.27Å; L450-E490 WeakPolarHBondContact O-CG 3.46Å
451G93Very high96.5Very high0 Ų021.3 Ų21.30%011%0.109CC..  trans135.1-31.6156.500000114.8H453 F454 R455 E490 Q510G451-H453 PolarHBondContact O-N 3.4Å; G451-H453 VanDerWaalsContact O-N 3.15Å; G451-F454 WeakPolarHBondContact O-CA 3.29Å; G451-F454 PolarHBondContact O-N 2.97Å; G451-R455 WeakPolarHBondContact O-CG 3.39Å; G451-R455 PolarHBondContact O-N 3Å; G451-R455 VanDerWaalsContact O-N 3.15Å; G451-E490 VanDerWaalsContact C-OE2 3.23Å; G451-E490 VanDerWaalsContact CA-CD 3.42Å; G451-E490 WeakPolarHBondContact CA-OE1 3.34Å; G451-Q510 PolarHBondContact O-OE1 3.44Å
452Q95.1Very high96.5Very high6 Ų618.1 Ų18.13%0.0289%0.091CC..THydrogen-bonded Turntrans-58.9-37.3179.9-63.5-63.85.900112.5T368 R455 E490 N491T368-Q452 HydrophobicContact CG2-CG 4.15Å; Q452-R455 VanDerWaalsContact OE1-CZ 3.31Å; Q452-R455 VanDerWaalsContact OE1-NH2 3.15Å; Q452-E490 WeakPolarHBondContact CA-OE2 3.41Å; Q452-E490 VanDerWaalsContact CD-OE2 3.23Å; Q452-E490 PolarHBondContact N-OE2 2.86Å; Q452-E490 PolarHBondContact OE1-OE2 3.29Å; Q452-E490 VanDerWaalsContact OE1-OE2 3.11Å; Q452-N491 PolarHBondContact NE2-O 3.39Å
453H96Very high96.6Very high16 Ų1612.2 Ų12.27%0.0747%0.066CC..THydrogen-bonded Turntrans-83.5-10.9177.1-60.8-78.2000113.7D366 H413 P416 F417 V418 G451 F457D366-H453 VanDerWaalsContact CB-CD2 3.48Å; D366-H453 WeakPolarHBondContact CB-CD2 3.49Å; H413-H453 AromaticContact CE1-CD2 3.93Å; H413-H453 AromaticContact NE2-CD2 3.2Å; H413-H453 PolarHBondContact NE2-CD2 2.9Å; H413-H453 AromaticContact NE2-CG 3.81Å; P416-H453 WeakPolarHBondContact O-CB 3.34Å; F417-H453 AromaticContact CE2-CE1 4Å; F417-H453 AromaticContact CE2-NE2 3.62Å; F417-H453 AromaticContact CZ-NE2 3.96Å; V418-H453 HydrophobicContact CB-CB 4.45Å; V418-H453 HydrophobicContact CG2-CB 4.32Å; V418-H453 WeakPolarHBondContact CG2-O 3.46Å; V418-H453 PolarHBondContact N-ND1 2.87Å; V418-H453 PolarHBondContact O-CE1 3.05Å; V418-H453 PolarHBondContact O-ND1 3.35Å; G451-H453 PolarHBondContact O-N 3.4Å; G451-H453 VanDerWaalsContact O-N 3.15Å; H453-F457 VanDerWaalsContact O-CD2 3.3Å; H453-F457 WeakPolarHBondContact O-CD2 3.44Å; H453-F457 WeakPolarHBondContact O-CE2 3.33Å
454F96.9Very high96.5Very high1 Ų111.5 Ų11.50%0.0046%0.059CC..THydrogen-bonded Turntrans-95.7-16.2-179.9-72.2-103.6000113.1R207 H413 P416 L450 G451 P456 F457 I461 F462 R465R207-F454 PolarHBondContact NH2-O 2.94Å; H413-F454 AromaticContact CE1-CE2 3.63Å; P416-F454 HydrophobicContact CG-CD1 3.81Å; P416-F454 HydrophobicContact CG-CD2 4.41Å; P416-F454 HydrophobicContact CG-CE1 3.79Å; P416-F454 HydrophobicContact CG-CE2 4.36Å; P416-F454 HydrophobicContact CG-CG 4.14Å; P416-F454 HydrophobicContact CG-CZ 4.05Å; L450-F454 HydrophobicContact CB-CE2 4.47Å; L450-F454 HydrophobicContact CD2-CE2 3.94Å; G451-F454 WeakPolarHBondContact O-CA 3.29Å; G451-F454 PolarHBondContact O-N 2.97Å; F454-P456 VanDerWaalsContact C-CD 3.44Å; F454-P456 VanDerWaalsContact C-N 3.33Å; F454-F457 PolarHBondContact O-N 3.07Å; F454-F457 VanDerWaalsContact O-N 3.11Å; F454-I461 HydrophobicContact CD1-CG2 4.1Å; F454-I461 HydrophobicContact CE1-CG2 4Å; F454-F462 HydrophobicContact CB-CB 4.22Å; F454-F462 HydrophobicContact CB-CD2 3.8Å; F454-F462 HydrophobicContact CB-CG 4.44Å; F454-F462 HydrophobicContact CD1-CB 3.86Å; F454-F462 AromaticContact CD1-CD2 3.88Å; F454-F462 HydrophobicContact CD1-CD2 3.88Å; F454-F462 HydrophobicContact CD1-CG 4.39Å; F454-F462 HydrophobicContact CD2-CD2 4.2Å; F454-F462 HydrophobicContact CG-CB 4.32Å; F454-F462 AromaticContact CG-CD2 3.71Å; F454-F462 HydrophobicContact CG-CD2 3.71Å; F454-R465 HydrophobicContact CE1-CB 4.03Å; F454-R465 HydrophobicContact CE1-CG 4.3Å; F454-R465 HydrophobicContact CZ-CB 4.23Å; F454-R465 HydrophobicContact CZ-CG 3.98Å
455R95.2Very high96.5Very high0 Ų011.4 Ų11.40%06%0.059CC..THydrogen-bonded Turntrans-53-40.1-179.8-53.3-153.3-173.1178.6-3.2114.4R207 G451 Q452 F457 E490 N491 R493 M501 F502 S503 D504 H506R207-R455 PolarHBondContact NE-O 3.36Å; G451-R455 WeakPolarHBondContact O-CG 3.39Å; G451-R455 PolarHBondContact O-N 3Å; G451-R455 VanDerWaalsContact O-N 3.15Å; Q452-R455 VanDerWaalsContact OE1-CZ 3.31Å; Q452-R455 VanDerWaalsContact OE1-NH2 3.15Å; R455-F457 VanDerWaalsContact C-N 3.25Å; R455-F457 PolarHBondContact O-N 2.67Å; R455-E490 IonicContact CZ-OE2 3.59Å; R455-E490 VanDerWaalsContact CZ-OE2 3.3Å; R455-E490 IonicContact NE-OE2 2.79Å; R455-E490 PolarHBondContact NE-OE2 2.65Å; R455-E490 IonicContact NH2-OE2 3.53Å; R455-E490 PolarHBondContact NH2-OE2 2.75Å; R455-N491 PolarHBondContact NH2-O 2.85Å; R455-R493 VanDerWaalsContact NH1-CD 3.29Å; R455-M501 CarbonylContact C-O 3.58Å; R455-M501 WeakPolarHBondContact CB-O 3.36Å; R455-F502 HydrophobicContact CB-CD1 4.49Å; R455-F502 PolarHBondContact NH1-O 2.81Å; R455-F502 VanDerWaalsContact NH1-O 3.08Å; R455-S503 PolarHBondContact NH1-O 3.04Å; R455-S503 VanDerWaalsContact NH1-O 3.16Å; R455-D504 IonicContact CZ-OD1 2.85Å; R455-D504 IonicContact NH1-OD1 3.79Å; R455-D504 PolarHBondContact NH1-OD1 3.29Å; R455-D504 IonicContact NH2-OD1 3.8Å; R455-H506 HydrophobicContact CB-CB 3.98Å; R455-H506 HydrophobicContact CG-CB 4.18Å
456P94.7Very high96.5Very high12 Ų1211.3 Ų11.38%0.0786%0.058CC..THydrogen-bonded Turntrans-76.6-5-178.7-17.933.5000115.3I214 F454 M501 F502I214-P456 HydrophobicContact CD1-CB 4.34Å; I214-P456 HydrophobicContact CG1-CB 3.79Å; I214-P456 HydrophobicContact CG1-CG 4.3Å; F454-P456 VanDerWaalsContact C-CD 3.44Å; F454-P456 VanDerWaalsContact C-N 3.33Å; P456-M501 HydrophobicContact CB-CB 4.25Å; P456-M501 HydrophobicContact CB-CG 4.27Å; P456-M501 HydrophobicContact CB-SD 4.38Å; P456-M501 HydrophobicContact CG-CB 4.25Å; P456-F502 HydrophobicContact CG-CD1 4.17Å; P456-F502 HydrophobicContact CG-CE1 3.52Å; P456-F502 HydrophobicContact CG-CZ 4.01Å
457F95.5Very high96.4Very high20 Ų2011.4 Ų11.49%0.0886%0.058CC..SBendtrans-108.9155.4-173.2-61-83000111.3R207 I214 F216 L233 P416 V418 H453 F454 R455 I459 I461R207-F457 VanDerWaalsContact CG-O 3.3Å; R207-F457 WeakPolarHBondContact CG-O 3.41Å; R207-F457 PolarHBondContact NE-O 3.11Å; I214-F457 HydrophobicContact CB-CE1 4.21Å; I214-F457 HydrophobicContact CB-CZ 3.83Å; I214-F457 HydrophobicContact CG1-CE2 4.5Å; I214-F457 HydrophobicContact CG1-CZ 4.05Å; I214-F457 HydrophobicContact CG2-CZ 4.01Å; F216-F457 AromaticContact CE2-CE1 3.83Å; F216-F457 HydrophobicContact CE2-CE1 3.83Å; F216-F457 AromaticContact CE2-CZ 3.68Å; F216-F457 HydrophobicContact CE2-CZ 3.68Å; F216-F457 HydrophobicContact CZ-CE1 4.16Å; F216-F457 HydrophobicContact CZ-CE2 4.48Å; F216-F457 AromaticContact CZ-CZ 3.58Å; F216-F457 HydrophobicContact CZ-CZ 3.58Å; L233-F457 HydrophobicContact CD1-CD1 3.82Å; L233-F457 HydrophobicContact CD1-CE1 4.05Å; L233-F457 HydrophobicContact CD1-CG 4.34Å; P416-F457 HydrophobicContact CB-CD2 3.86Å; P416-F457 HydrophobicContact CB-CE1 4.39Å; P416-F457 HydrophobicContact CB-CE2 3.44Å; P416-F457 VanDerWaalsContact CB-CE2 3.44Å; P416-F457 HydrophobicContact CB-CG 4.48Å; P416-F457 HydrophobicContact CB-CZ 3.75Å; P416-F457 HydrophobicContact CG-CD2 3.91Å; P416-F457 HydrophobicContact CG-CE2 4.03Å; P416-F457 HydrophobicContact CG-CG 4.45Å; V418-F457 HydrophobicContact CG2-CE2 3.56Å; V418-F457 HydrophobicContact CG2-CZ 4.04Å; H453-F457 VanDerWaalsContact O-CD2 3.3Å; H453-F457 WeakPolarHBondContact O-CD2 3.44Å; H453-F457 WeakPolarHBondContact O-CE2 3.33Å; F454-F457 PolarHBondContact O-N 3.07Å; F454-F457 VanDerWaalsContact O-N 3.11Å; R455-F457 VanDerWaalsContact C-N 3.25Å; R455-F457 PolarHBondContact O-N 2.67Å; F457-I459 PolarHBondContact O-N 3.24Å; F457-I461 HydrophobicContact CB-CD1 3.93Å
458P95.8Very high96.4Very high28 Ų2811.6 Ų11.618%0.1826%0.059CC..  trans-45.8134.6168.4-31.337.4000111.9N460 I461P458-N460 WeakPolarHBondContact CB-OD1 3.24Å; P458-N460 PolarHBondContact O-N 3.37Å; P458-N460 PolarHBondContact O-OD1 2.64Å; P458-I461 HydrophobicContact CB-CD1 4.38Å; P458-I461 PolarHBondContact O-N 2.81Å
459I96.9Very high96.4Very high0 Ų011.3 Ų11.30%06%0.058CC..Hα-helixtrans-64.5-25.5-170.2-17262.1000113.1M88 W204 R207 N208 F457 I461 F462 I463 I509 Q510 I513M88-I459 HydrophobicContact CE-CG2 3.89Å; M88-I459 HydrophobicContact SD-CG2 3.22Å; M88-I459 WeakPolarHBondContact SD-CG2 3.48Å; W204-I459 HydrophobicContact CH2-CB 4.08Å; W204-I459 HydrophobicContact CH2-CG1 4.17Å; W204-I459 HydrophobicContact CH2-CG2 3.58Å; W204-I459 HydrophobicContact CZ2-CG2 4.26Å; W204-I459 HydrophobicContact CZ3-CB 4.18Å; W204-I459 HydrophobicContact CZ3-CG1 4.32Å; W204-I459 HydrophobicContact CZ3-CG2 4.13Å; R207-I459 VanDerWaalsContact NH2-CD1 3.29Å; N208-I459 VanDerWaalsContact OD1-CG2 3.3Å; N208-I459 WeakPolarHBondContact OD1-CG2 3.34Å; N208-I459 PolarHBondContact OD1-N 2.77Å; F457-I459 PolarHBondContact O-N 3.24Å; I459-I461 PolarHBondContact O-N 3.29Å; I459-F462 HydrophobicContact CD1-CB 4.07Å; I459-F462 HydrophobicContact CD1-CD1 4.22Å; I459-F462 HydrophobicContact CD1-CG 4.45Å; I459-F462 WeakPolarHBondContact O-CA 3.4Å; I459-F462 WeakPolarHBondContact O-CB 3.37Å; I459-F462 PolarHBondContact O-N 2.69Å; I459-I463 HydrophobicContact CG1-CD1 4.11Å; I459-I463 HydrophobicContact CG1-CG1 4.26Å; I459-I463 HydrophobicContact CG2-CD1 4.26Å; I459-I463 WeakPolarHBondContact O-CG1 3.39Å; I459-I463 PolarHBondContact O-N 3.03Å; I459-I509 HydrophobicContact CD1-CG2 4.32Å; I459-I509 HydrophobicContact CG1-CG2 4.44Å; I459-Q510 HydrophobicContact CD1-CG 3.84Å; I459-I513 HydrophobicContact CD1-CD1 3.59Å; I459-I513 HydrophobicContact CG1-CD1 3.64Å
460N95.9Very high96.4Very high63 Ų6311.9 Ų11.934%0.3376%0.061SC..Hα-helixtrans-57.3-31.6177.667.2-26.8000112.9I84 M88 P458 F462 I463 R464I84-N460 HydrophobicContact CG2-CB 3.94Å; M88-N460 HydrophobicContact SD-CB 4.37Å; P458-N460 WeakPolarHBondContact CB-OD1 3.24Å; P458-N460 PolarHBondContact O-N 3.37Å; P458-N460 PolarHBondContact O-OD1 2.64Å; N460-F462 VanDerWaalsContact C-N 3.35Å; N460-I463 PolarHBondContact O-N 2.79Å; N460-R464 WeakPolarHBondContact O-CB 3.49Å; N460-R464 PolarHBondContact O-N 3.06Å
461I95.7Very high96.6Very high33 Ų3313.1 Ų13.117%0.1697%0.066CC..Hα-helixtrans-64.3-41.8174.7-65.9156.7000110.4L233 P416 F454 F457 P458 I459 R465L233-I461 HydrophobicContact CD1-CD1 3.74Å; L233-I461 HydrophobicContact CD1-CG1 4.48Å; L233-I461 HydrophobicContact CD1-CG2 4.12Å; P416-I461 HydrophobicContact CG-CG2 4.38Å; F454-I461 HydrophobicContact CD1-CG2 4.1Å; F454-I461 HydrophobicContact CE1-CG2 4Å; F457-I461 HydrophobicContact CB-CD1 3.93Å; P458-I461 HydrophobicContact CB-CD1 4.38Å; P458-I461 PolarHBondContact O-N 2.81Å; I459-I461 PolarHBondContact O-N 3.29Å; I461-R465 PolarHBondContact O-N 3.4Å; I461-R465 VanDerWaalsContact O-N 3.11Å
462F97.7Very high96.9Very high2 Ų213.1 Ų13.11%0.0097%0.066CC..Hα-helixtrans-68.3-44.1176.1-179-96.5000111.9L450 F454 I459 N460 R464 R465 A466 Q510 I513 I514L450-F462 HydrophobicContact CB-CE2 4.11Å; F454-F462 HydrophobicContact CB-CB 4.22Å; F454-F462 HydrophobicContact CB-CD2 3.8Å; F454-F462 HydrophobicContact CB-CG 4.44Å; F454-F462 HydrophobicContact CD1-CB 3.86Å; F454-F462 AromaticContact CD1-CD2 3.88Å; F454-F462 HydrophobicContact CD1-CD2 3.88Å; F454-F462 HydrophobicContact CD1-CG 4.39Å; F454-F462 HydrophobicContact CD2-CD2 4.2Å; F454-F462 HydrophobicContact CG-CB 4.32Å; F454-F462 AromaticContact CG-CD2 3.71Å; F454-F462 HydrophobicContact CG-CD2 3.71Å; I459-F462 HydrophobicContact CD1-CB 4.07Å; I459-F462 HydrophobicContact CD1-CD1 4.22Å; I459-F462 HydrophobicContact CD1-CG 4.45Å; I459-F462 WeakPolarHBondContact O-CA 3.4Å; I459-F462 WeakPolarHBondContact O-CB 3.37Å; I459-F462 PolarHBondContact O-N 2.69Å; N460-F462 VanDerWaalsContact C-N 3.35Å; F462-R464 PolarHBondContact O-N 3.14Å; F462-R465 PolarHBondContact O-N 3.13Å; F462-A466 WeakPolarHBondContact O-CB 3.37Å; F462-A466 PolarHBondContact O-N 3.15Å; F462-Q510 HydrophobicContact CD1-CB 4.18Å; F462-Q510 HydrophobicContact CD1-CG 3.68Å; F462-Q510 HydrophobicContact CD2-CG 4.09Å; F462-Q510 HydrophobicContact CE1-CB 3.63Å; F462-Q510 HydrophobicContact CE1-CG 3.67Å; F462-Q510 HydrophobicContact CE2-CB 4.21Å; F462-Q510 HydrophobicContact CE2-CG 4.07Å; F462-Q510 HydrophobicContact CG-CG 3.87Å; F462-Q510 HydrophobicContact CZ-CB 3.63Å; F462-Q510 HydrophobicContact CZ-CG 3.85Å; F462-I513 HydrophobicContact CD1-CB 4.49Å; F462-I513 HydrophobicContact CD1-CD1 4.32Å; F462-I513 HydrophobicContact CD1-CG2 4.08Å; F462-I513 HydrophobicContact CE1-CB 4.15Å; F462-I513 HydrophobicContact CE1-CG2 3.92Å; F462-I514 HydrophobicContact CE1-CD1 4.02Å; F462-I514 HydrophobicContact CE1-CG1 3.87Å; F462-I514 HydrophobicContact CZ-CD1 3.65Å; F462-I514 HydrophobicContact CZ-CG1 3.52Å
463I98.2Very high97.1Very high0 Ų012.9 Ų12.90%06%0.064CC..Hα-helixtrans-59.4-48178.4-62.8164.8000110.1I84 I87 M88 L91 I459 N460 R465 A466 I467 I513 I517I84-I463 HydrophobicContact CB-CG2 4.39Å; I84-I463 HydrophobicContact CG1-CG2 3.89Å; I84-I463 HydrophobicContact CG2-CG2 4.48Å; I87-I463 HydrophobicContact CB-CD1 4.28Å; I87-I463 HydrophobicContact CB-CG2 4.33Å; I87-I463 HydrophobicContact CD1-CG2 3.67Å; I87-I463 HydrophobicContact CG2-CD1 3.64Å; I87-I463 HydrophobicContact CG2-CG1 4.12Å; I87-I463 HydrophobicContact CG2-CG2 4.29Å; M88-I463 HydrophobicContact CG-CD1 4.24Å; M88-I463 HydrophobicContact SD-CD1 3.91Å; L91-I463 HydrophobicContact CD1-CD1 4.31Å; I459-I463 HydrophobicContact CG1-CD1 4.11Å; I459-I463 HydrophobicContact CG1-CG1 4.26Å; I459-I463 HydrophobicContact CG2-CD1 4.26Å; I459-I463 WeakPolarHBondContact O-CG1 3.39Å; I459-I463 PolarHBondContact O-N 3.03Å; N460-I463 PolarHBondContact O-N 2.79Å; I463-R465 PolarHBondContact O-N 3.32Å; I463-A466 PolarHBondContact O-N 3.07Å; I463-I467 HydrophobicContact CG2-CD1 3.89Å; I463-I467 HydrophobicContact CG2-CG1 4.48Å; I463-I467 WeakPolarHBondContact O-CG1 3.4Å; I463-I467 PolarHBondContact O-N 3.45Å; I463-I513 HydrophobicContact CD1-CD1 4.3Å; I463-I513 HydrophobicContact CG1-CD1 3.88Å; I463-I513 HydrophobicContact CG1-CG1 4.48Å; I463-I513 HydrophobicContact CG1-CG2 4.11Å; I463-I517 HydrophobicContact CG2-CD1 4.36Å
464R97.1Very high97.2Very high33 Ų3315.7 Ų15.713%0.1258%0.078CC..Hα-helixtrans-55-50.6175.1-177.5179.6-57.5-82.6-9.5111.3E81 I84 N460 F462 A466 I467 N468E81-R464 IonicContact OE1-CZ 2.69Å; E81-R464 IonicContact OE1-NH1 3.37Å; E81-R464 PolarHBondContact OE1-NH1 3.46Å; E81-R464 IonicContact OE1-NH2 2.66Å; E81-R464 PolarHBondContact OE1-NH2 2.83Å; E81-R464 IonicContact OE2-CZ 3.65Å; E81-R464 IonicContact OE2-NH2 3.42Å; E81-R464 PolarHBondContact OE2-NH2 2.9Å; I84-R464 HydrophobicContact CD1-CB 3.78Å; I84-R464 HydrophobicContact CD1-CG 4.22Å; N460-R464 WeakPolarHBondContact O-CB 3.49Å; N460-R464 PolarHBondContact O-N 3.06Å; F462-R464 PolarHBondContact O-N 3.14Å; R464-A466 VanDerWaalsContact C-N 3.31Å; R464-A466 PolarHBondContact O-N 3.33Å; R464-I467 PolarHBondContact O-N 2.88Å; R464-N468 WeakPolarHBondContact O-CB 3.35Å; R464-N468 VanDerWaalsContact O-CG 3.29Å; R464-N468 PolarHBondContact O-N 3.06Å; R464-N468 PolarHBondContact O-ND2 2.85Å
465R97.2Very high97.2Very high0 Ų019.3 Ų19.30%09%0.091CC..Hα-helixtrans-60-41.9179.8-175.556.256.486.26.8112E251 H415 L450 F454 I461 F462 I463 N468 I469E251-R465 IonicContact OE1-CZ 3.97Å; E251-R465 IonicContact OE1-NE 3.73Å; E251-R465 PolarHBondContact OE1-NE 3.19Å; E251-R465 IonicContact OE1-NH2 3.83Å; E251-R465 PolarHBondContact OE1-NH2 3.02Å; E251-R465 IonicContact OE2-CZ 3.17Å; E251-R465 IonicContact OE2-NE 2.64Å; E251-R465 IonicContact OE2-NH2 3.06Å; E251-R465 PolarHBondContact OE2-NH2 3.14Å; H415-R465 PolarHBondContact O-NH1 2.98Å; H415-R465 VanDerWaalsContact O-NH1 3.15Å; H415-R465 PolarHBondContact O-NH2 3.46Å; L450-R465 HydrophobicContact CD1-CG 3.91Å; F454-R465 HydrophobicContact CE1-CB 4.03Å; F454-R465 HydrophobicContact CE1-CG 4.3Å; F454-R465 HydrophobicContact CZ-CB 4.23Å; F454-R465 HydrophobicContact CZ-CG 3.98Å; I461-R465 PolarHBondContact O-N 3.4Å; I461-R465 VanDerWaalsContact O-N 3.11Å; F462-R465 PolarHBondContact O-N 3.13Å; I463-R465 PolarHBondContact O-N 3.32Å; R465-N468 PolarHBondContact O-N 3.48Å; R465-I469 HydrophobicContact CG-CD1 4.01Å; R465-I469 VanDerWaalsContact O-CG1 3.28Å; R465-I469 WeakPolarHBondContact O-CG1 2.68Å; R465-I469 PolarHBondContact O-N 2.74Å
466A98.2Very high97.4Very high1 Ų119.3 Ų19.31%0.0089%0.091CC..Hα-helixtrans-63.8-45.2177.900000111.9F462 I463 R464 N468 I469 Q470 I514 I517 F518F462-A466 WeakPolarHBondContact O-CB 3.37Å; F462-A466 PolarHBondContact O-N 3.15Å; I463-A466 PolarHBondContact O-N 3.07Å; R464-A466 VanDerWaalsContact C-N 3.31Å; R464-A466 PolarHBondContact O-N 3.33Å; A466-N468 PolarHBondContact O-N 3.03Å; A466-I469 PolarHBondContact O-N 2.85Å; A466-Q470 PolarHBondContact O-N 3.04Å; A466-I514 HydrophobicContact CB-CD1 3.94Å; A466-I517 HydrophobicContact CB-CD1 3.51Å; A466-I517 HydrophobicContact CB-CG2 4.44Å; A466-F518 HydrophobicContact CB-CE2 4.19Å; A466-F518 WeakPolarHBondContact O-CZ 3.16Å
467I98.1Very high97.6Very high1 Ų120.6 Ų20.61%0.00510%0.096CC..Hα-helixtrans-60.7-44.3174.8-67.6169.5000110.9T80 R83 I84 I87 I463 R464 I469 Q470 K471 I517T80-I467 HydrophobicContact CG2-CG2 4.28Å; R83-I467 HydrophobicContact CB-CD1 4.25Å; R83-I467 HydrophobicContact CG-CD1 4.02Å; I84-I467 HydrophobicContact CG1-CD1 3.87Å; I87-I467 HydrophobicContact CD1-CD1 4.46Å; I463-I467 HydrophobicContact CG2-CD1 3.89Å; I463-I467 HydrophobicContact CG2-CG1 4.48Å; I463-I467 WeakPolarHBondContact O-CG1 3.4Å; I463-I467 PolarHBondContact O-N 3.45Å; R464-I467 PolarHBondContact O-N 2.88Å; I467-I469 VanDerWaalsContact C-N 3.28Å; I467-I469 PolarHBondContact O-N 2.79Å; I467-Q470 WeakPolarHBondContact O-CB 3.25Å; I467-Q470 PolarHBondContact O-N 3.21Å; I467-K471 HydrophobicContact CG2-CD 4.35Å; I467-K471 WeakPolarHBondContact O-CG 3.32Å; I467-K471 PolarHBondContact O-N 3.27Å; I467-I517 HydrophobicContact CG1-CD1 3.99Å
468N97.8Very high97.7Very high4 Ų426.6 Ų26.62%0.02113%0.128CC..Hα-helixtrans-63.2-36.1179.2-71.5-23.4000112.2D249 E251 P432 R464 R465 A466 A472D249-N468 HydrophobicContact CB-CB 4.35Å; D249-N468 PolarHBondContact O-ND2 3.21Å; E251-N468 PolarHBondContact OE1-ND2 2.85Å; P432-N468 HydrophobicContact CG-CB 3.81Å; R464-N468 WeakPolarHBondContact O-CB 3.35Å; R464-N468 VanDerWaalsContact O-CG 3.29Å; R464-N468 PolarHBondContact O-N 3.06Å; R464-N468 PolarHBondContact O-ND2 2.85Å; R465-N468 PolarHBondContact O-N 3.48Å; A466-N468 PolarHBondContact O-N 3.03Å; N468-A472 PolarHBondContact O-N 2.69Å; N468-A472 VanDerWaalsContact O-N 3.1Å
469I98.5Very high97.7Very high2 Ų229.9 Ų29.91%0.0114%0.137CC..Hα-helixtrans-70-42.7174.3-70.3168.5000111I431 P432 I435 I448 L450 R465 A466 I467 K471 A472 I473 F518I431-I469 HydrophobicContact CB-CD1 3.93Å; I431-I469 HydrophobicContact CB-CG1 4.1Å; I431-I469 HydrophobicContact CD1-CD1 4.28Å; I431-I469 HydrophobicContact CG2-CD1 3.88Å; I431-I469 HydrophobicContact CG2-CG1 3.91Å; P432-I469 HydrophobicContact CG-CG1 3.75Å; I435-I469 HydrophobicContact CD1-CG2 4.09Å; I448-I469 HydrophobicContact CD1-CG2 3.68Å; I448-I469 HydrophobicContact CG2-CD1 4.43Å; L450-I469 HydrophobicContact CD1-CD1 3.21Å; L450-I469 HydrophobicContact CG-CD1 4.46Å; R465-I469 HydrophobicContact CG-CD1 4.01Å; R465-I469 VanDerWaalsContact O-CG1 3.28Å; R465-I469 WeakPolarHBondContact O-CG1 2.68Å; R465-I469 PolarHBondContact O-N 2.74Å; A466-I469 PolarHBondContact O-N 2.85Å; I467-I469 VanDerWaalsContact C-N 3.28Å; I467-I469 PolarHBondContact O-N 2.79Å; I469-K471 VanDerWaalsContact C-N 3.31Å; I469-K471 PolarHBondContact O-N 2.82Å; I469-A472 PolarHBondContact O-N 3.07Å; I469-A472 VanDerWaalsContact O-N 3.11Å; I469-I473 HydrophobicContact CG2-CD1 4.02Å; I469-I473 HydrophobicContact CG2-CG1 4.39Å; I469-I473 WeakPolarHBondContact O-CG1 3.37Å; I469-I473 PolarHBondContact O-N 3.39Å; I469-F518 HydrophobicContact CB-CZ 4.1Å; I469-F518 HydrophobicContact CG2-CE1 3.94Å; I469-F518 HydrophobicContact CG2-CZ 3.8Å
470Q98.4Very high97.8Very high12 Ų1230.7 Ų30.76%0.05614%0.142CC..Hα-helixtrans-53.3-51.3173.9-173.2-166.53.900110.5A466 I467 A472 I473 E474 I517 F518 L521A466-Q470 PolarHBondContact O-N 3.04Å; I467-Q470 WeakPolarHBondContact O-CB 3.25Å; I467-Q470 PolarHBondContact O-N 3.21Å; Q470-A472 VanDerWaalsContact C-N 3.28Å; Q470-A472 PolarHBondContact O-N 2.9Å; Q470-I473 PolarHBondContact O-N 3.49Å; Q470-I473 VanDerWaalsContact O-N 3.1Å; Q470-E474 PolarHBondContact NE2-OE1 3.32Å; Q470-E474 WeakPolarHBondContact O-CG 3.49Å; Q470-E474 PolarHBondContact O-N 3.43Å; Q470-I517 HydrophobicContact CB-CG2 3.92Å; Q470-I517 HydrophobicContact CG-CG2 4.29Å; Q470-I517 PolarHBondContact NE2-O 3.09Å; Q470-I517 VanDerWaalsContact NE2-O 3.1Å; Q470-I517 PolarHBondContact OE1-O 2.84Å; Q470-F518 HydrophobicContact CB-CD1 4.45Å; Q470-F518 HydrophobicContact CB-CE1 4.01Å; Q470-F518 HydrophobicContact CB-CZ 4.26Å; Q470-L521 HydrophobicContact CB-CD1 4.49Å; Q470-L521 HydrophobicContact CG-CD1 3.59Å; Q470-L521 HydrophobicContact CG-CG 4.31Å
471K97.5Very high97.8Very high42 Ų4232.1 Ų32.118%0.18316%0.155CC..Hα-helixtrans-58.2-38.4177.4-70177.6175.3-174.60112.8T80 I467 I469 R475T80-K471 PolarHBondContact OG1-NZ 2.04Å; I467-K471 HydrophobicContact CG2-CD 4.35Å; I467-K471 WeakPolarHBondContact O-CG 3.32Å; I467-K471 PolarHBondContact O-N 3.27Å; I469-K471 VanDerWaalsContact C-N 3.31Å; I469-K471 PolarHBondContact O-N 2.82Å; K471-R475 WeakPolarHBondContact O-CG 3.03Å; K471-R475 PolarHBondContact O-N 2.79Å; K471-R475 VanDerWaalsContact O-N 3.1Å; K471-R475 PolarHBondContact O-NH1 3.19Å
472A98.4Very high97.9Very high0 Ų036.1 Ų36.10%017%0.173CC..Hα-helixtrans-69.6-36.9177.300000112.6P432 I435 N468 I469 Q470 R475 L476P432-A472 HydrophobicContact CB-CB 3.88Å; I435-A472 HydrophobicContact CB-CB 4.02Å; I435-A472 HydrophobicContact CD1-CB 4.09Å; I435-A472 HydrophobicContact CG2-CB 3.94Å; I435-A472 WeakPolarHBondContact CG2-O 3.41Å; N468-A472 PolarHBondContact O-N 2.69Å; N468-A472 VanDerWaalsContact O-N 3.1Å; I469-A472 PolarHBondContact O-N 3.07Å; I469-A472 VanDerWaalsContact O-N 3.11Å; Q470-A472 VanDerWaalsContact C-N 3.28Å; Q470-A472 PolarHBondContact O-N 2.9Å; A472-R475 PolarHBondContact O-N 2.8Å; A472-L476 WeakPolarHBondContact O-CB 2.98Å; A472-L476 PolarHBondContact O-N 3.38Å
473I98.6Very high97.9Very high1 Ų136 Ų361%0.00517%0.173CC..Hα-helixtrans-67.3-41.8173.6-66.2172.7000110.8I435 I448 I469 Q470 R475 L476 F477 V485 F518 L521 V523I435-I473 HydrophobicContact CD1-CG1 4.1Å; I448-I473 HydrophobicContact CD1-CD1 4.08Å; I469-I473 HydrophobicContact CG2-CD1 4.02Å; I469-I473 HydrophobicContact CG2-CG1 4.39Å; I469-I473 WeakPolarHBondContact O-CG1 3.37Å; I469-I473 PolarHBondContact O-N 3.39Å; Q470-I473 PolarHBondContact O-N 3.49Å; Q470-I473 VanDerWaalsContact O-N 3.1Å; I473-R475 VanDerWaalsContact C-N 3.33Å; I473-R475 PolarHBondContact O-N 2.88Å; I473-L476 CarbonylContact O-C 3.58Å; I473-L476 WeakPolarHBondContact O-CA 3.42Å; I473-L476 WeakPolarHBondContact O-CB 3.06Å; I473-L476 PolarHBondContact O-N 2.78Å; I473-F477 HydrophobicContact CG2-CD1 4.48Å; I473-F477 HydrophobicContact CG2-CD2 3.7Å; I473-F477 HydrophobicContact CG2-CE1 4.13Å; I473-F477 HydrophobicContact CG2-CE2 3.29Å; I473-F477 HydrophobicContact CG2-CG 4.29Å; I473-F477 HydrophobicContact CG2-CZ 3.54Å; I473-F477 WeakPolarHBondContact O-CG 3.38Å; I473-F477 PolarHBondContact O-N 2.94Å; I473-V485 HydrophobicContact CD1-CG1 3.66Å; I473-V485 HydrophobicContact CG1-CG1 4.14Å; I473-V485 HydrophobicContact CG2-CG2 4.33Å; I473-F518 HydrophobicContact CD1-CD1 4.1Å; I473-F518 HydrophobicContact CD1-CE1 3.65Å; I473-L521 HydrophobicContact CB-CD1 4.16Å; I473-L521 HydrophobicContact CG2-CD1 3.89Å; I473-V523 HydrophobicContact CD1-CG1 4.5Å; I473-V523 HydrophobicContact CG2-CG1 4.4Å
474E98.3Very high97.9Very high75 Ų7539.1 Ų39.135%0.3519%0.186SC..Hα-helixtrans-57.5-48175.3-73.2165.7173.900110.8Q470 L476 F477 L478 L521Q470-E474 PolarHBondContact NE2-OE1 3.32Å; Q470-E474 WeakPolarHBondContact O-CG 3.49Å; Q470-E474 PolarHBondContact O-N 3.43Å; E474-L476 VanDerWaalsContact C-N 3.26Å; E474-L476 PolarHBondContact O-N 2.96Å; E474-F477 PolarHBondContact O-N 2.9Å; E474-L478 WeakPolarHBondContact O-CG 3.46Å; E474-L478 PolarHBondContact O-N 2.98Å; E474-L521 HydrophobicContact CG-CD1 4.42Å; E474-L521 HydrophobicContact CG-CD2 3.75Å
475R98.1Very high98Very high77 Ų7737.6 Ų37.629%0.29118%0.18SC..Hα-helixtrans-59.7-36.8173.1-70.1-171.5-59.1-89.19112.5D436 K471 A472 I473 R479D436-R475 IonicContact OD1-CZ 2.66Å; D436-R475 IonicContact OD1-NE 3.09Å; D436-R475 PolarHBondContact OD1-NE 3.13Å; D436-R475 IonicContact OD1-NH2 3.65Å; D436-R475 PolarHBondContact OD1-NH2 2.82Å; D436-R475 IonicContact OD2-CZ 3.63Å; D436-R475 IonicContact OD2-NE 2.67Å; D436-R475 IonicContact OD2-NH2 3.2Å; D436-R475 PolarHBondContact OD2-NH2 2.84Å; K471-R475 WeakPolarHBondContact O-CG 3.03Å; K471-R475 PolarHBondContact O-N 2.79Å; K471-R475 VanDerWaalsContact O-N 3.1Å; K471-R475 PolarHBondContact O-NH1 3.19Å; A472-R475 PolarHBondContact O-N 2.8Å; I473-R475 VanDerWaalsContact C-N 3.33Å; I473-R475 PolarHBondContact O-N 2.88Å; R475-R479 WeakPolarHBondContact O-CG 3.28Å; R475-R479 PolarHBondContact O-N 2.92Å; R475-R479 PolarHBondContact O-NH1 3.08Å
476L98.6Very high98.1Very high0 Ų037.6 Ų37.60%018%0.18CC..Hα-helixtrans-64.8-44.7176.4174.767.5000111.2I435 I446 A472 I473 E474 L478 R479 S480 T483 V485I435-L476 HydrophobicContact CG2-CB 4.02Å; I435-L476 HydrophobicContact CG2-CD2 4.13Å; I446-L476 HydrophobicContact CD1-CD2 3.5Å; A472-L476 WeakPolarHBondContact O-CB 2.98Å; A472-L476 PolarHBondContact O-N 3.38Å; I473-L476 CarbonylContact O-C 3.58Å; I473-L476 WeakPolarHBondContact O-CA 3.42Å; I473-L476 WeakPolarHBondContact O-CB 3.06Å; I473-L476 PolarHBondContact O-N 2.78Å; E474-L476 VanDerWaalsContact C-N 3.26Å; E474-L476 PolarHBondContact O-N 2.96Å; L476-L478 VanDerWaalsContact C-N 3.31Å; L476-L478 PolarHBondContact O-N 2.87Å; L476-R479 VanDerWaalsContact CA-CZ 3.42Å; L476-R479 VanDerWaalsContact N-NH1 3.16Å; L476-R479 WeakPolarHBondContact O-CG 3.5Å; L476-R479 PolarHBondContact O-N 3.47Å; L476-S480 CarbonylContact O-C 3.57Å; L476-S480 WeakPolarHBondContact O-CA 3.3Å; L476-S480 PolarHBondContact O-N 3.09Å; L476-T483 HydrophobicContact CD1-CG2 4.46Å; L476-T483 HydrophobicContact CD2-CG2 3.87Å; L476-T483 HydrophobicContact CG-CG2 4.43Å; L476-V485 HydrophobicContact CD2-CG2 3.79Å
477F98.2Very high98.1Very high39 Ų3937.8 Ų37.817%0.17118%0.181CC..Hα-helixtrans-69.1-29.1179.5-67.4-24.8000113.1I473 E474 P481 T483 V485 L521 V523I473-F477 HydrophobicContact CG2-CD1 4.48Å; I473-F477 HydrophobicContact CG2-CD2 3.7Å; I473-F477 HydrophobicContact CG2-CE1 4.13Å; I473-F477 HydrophobicContact CG2-CE2 3.29Å; I473-F477 HydrophobicContact CG2-CG 4.29Å; I473-F477 HydrophobicContact CG2-CZ 3.54Å; I473-F477 WeakPolarHBondContact O-CG 3.38Å; I473-F477 PolarHBondContact O-N 2.94Å; E474-F477 PolarHBondContact O-N 2.9Å; F477-P481 WeakPolarHBondContact O-CA 3.22Å; F477-P481 WeakPolarHBondContact O-CB 3.43Å; F477-P481 WeakPolarHBondContact O-CD 3.26Å; F477-T483 WeakPolarHBondContact CE1-O 3.24Å; F477-V485 HydrophobicContact CE1-CB 4.43Å; F477-V485 HydrophobicContact CE1-CG2 3.76Å; F477-V485 HydrophobicContact CZ-CB 4.15Å; F477-V485 HydrophobicContact CZ-CG2 3.93Å; F477-L521 HydrophobicContact CE2-CB 4.49Å; F477-V523 HydrophobicContact CE2-CG1 4.32Å; F477-V523 HydrophobicContact CZ-CG1 4.22Å
478L97.8Very high98.1Very high146 Ų14638 Ų3876%0.76418%0.182SC*.Hα-helixtrans-64.2-39.3171.5-70.5174.5000112.6E474 L476E474-L478 WeakPolarHBondContact O-CG 3.46Å; E474-L478 PolarHBondContact O-N 2.98Å; L476-L478 VanDerWaalsContact C-N 3.31Å; L476-L478 PolarHBondContact O-N 2.87Å
479R97.6Very high98.1Very high97 Ų9738.1 Ų38.137%0.36618%0.183SC..Hα-helixtrans-90.4-30.1-17866.8-176.7176.8-93.1-0.9114.2I435 D436 R475 L476I435-R479 PolarHBondContact O-NH2 3.2Å; D436-R479 IonicContact OD1-NH1 2.66Å; D436-R479 IonicContact OD1-NH2 2.65Å; R475-R479 WeakPolarHBondContact O-CG 3.28Å; R475-R479 PolarHBondContact O-N 2.92Å; R475-R479 PolarHBondContact O-NH1 3.08Å; L476-R479 VanDerWaalsContact CA-CZ 3.42Å; L476-R479 VanDerWaalsContact N-NH1 3.16Å; L476-R479 WeakPolarHBondContact O-CG 3.5Å; L476-R479 PolarHBondContact O-N 3.47Å
480S97.9Very high97.9Very high16 Ų1638.3 Ų38.311%0.11218%0.184CC..  trans-14866.4-170.6-54.90000111.2A439 G440 L476 E482 T483A439-S480 PolarHBondContact O-OG 2.82Å; G440-S480 PolarHBondContact O-OG 3.39Å; L476-S480 CarbonylContact O-C 3.57Å; L476-S480 WeakPolarHBondContact O-CA 3.3Å; L476-S480 PolarHBondContact O-N 3.09Å; S480-E482 PolarHBondContact O-N 3.44Å; S480-E482 VanDerWaalsContact O-N 3.11Å; S480-T483 WeakPolarHBondContact CB-OG1 3.28Å; S480-T483 WeakPolarHBondContact O-CB 3.19Å; S480-T483 PolarHBondContact O-N 3.32Å; S480-T483 PolarHBondContact O-OG1 3.28Å
481P96.7Very high97.9Very high93 Ų9337.8 Ų37.860%0.60418%0.181SC*.THydrogen-bonded Turntrans-62.8-20.8-169.523.7-34.9000114.9F477 T483F477-P481 WeakPolarHBondContact O-CA 3.22Å; F477-P481 WeakPolarHBondContact O-CB 3.43Å; F477-P481 WeakPolarHBondContact O-CD 3.26Å; P481-T483 VanDerWaalsContact C-N 3.3Å
482E97.1Very high97.8Very high117 Ų11735.8 Ų35.855%0.54717%0.172SC..THydrogen-bonded Turntrans-80.2-11.1178.6-63-173.78900113.6K442 S480 K484K442-E482 HydrophobicContact CB-CB 3.82Å; K442-E482 HydrophobicContact CB-CG 4.47Å; S480-E482 PolarHBondContact O-N 3.44Å; S480-E482 VanDerWaalsContact O-N 3.11Å; E482-K484 PolarHBondContact O-N 3.44Å
483T98.4Very high97.6Very high1 Ų136.8 Ų36.81%0.00618%0.176CC..  trans-60.6131.4178.5-52.50000110.6G440 D441 T444 I446 L476 F477 S480 P481G440-T483 VanDerWaalsContact CA-OG1 3.29Å; G440-T483 WeakPolarHBondContact CA-OG1 3.27Å; D441-T483 PolarHBondContact N-OG1 3.27Å; D441-T483 WeakPolarHBondContact O-CA 3.38Å; T444-T483 HydrophobicContact CG2-CG2 3.98Å; I446-T483 HydrophobicContact CD1-CG2 4.49Å; I446-T483 HydrophobicContact CG1-CG2 4.4Å; L476-T483 HydrophobicContact CD1-CG2 4.46Å; L476-T483 HydrophobicContact CD2-CG2 3.87Å; L476-T483 HydrophobicContact CG-CG2 4.43Å; F477-T483 WeakPolarHBondContact CE1-O 3.24Å; S480-T483 WeakPolarHBondContact CB-OG1 3.28Å; S480-T483 WeakPolarHBondContact O-CB 3.19Å; S480-T483 PolarHBondContact O-N 3.32Å; S480-T483 PolarHBondContact O-OG1 3.28Å; P481-T483 VanDerWaalsContact C-N 3.3Å
484K98.5Very high97.4Very high65 Ų6540 Ų4028%0.28319%0.192SC..EExtended strand (participates in β ladder)trans-87.8123.3177.9-54.4-58.6176.7-169.60110I320 T444 A445 I446 E482 I486 I558I320-K484 HydrophobicContact CD1-CD 3.5Å; I320-K484 HydrophobicContact CG1-CD 4.26Å; T444-K484 PolarHBondContact O-N 2.9Å; A445-K484 CarbonylContact C-O 3.5Å; A445-K484 VanDerWaalsContact CA-O 3.23Å; A445-K484 WeakPolarHBondContact CA-O 3.24Å; A445-K484 HydrophobicContact CB-CB 4.27Å; I446-K484 PolarHBondContact N-O 3.13Å; E482-K484 PolarHBondContact O-N 3.44Å; K484-I486 HydrophobicContact CB-CD1 4.01Å; K484-I558 HydrophobicContact CB-CG2 4.08Å; K484-I558 HydrophobicContact CG-CG2 4.27Å
485V98.7Very high97Very high0 Ų037.8 Ų37.80%018%0.182CC..EExtended strand (participates in β ladder)trans-115.2128.8173-1740000110.1I446 I448 I473 L476 F477 V523 G524I446-V485 HydrophobicContact CB-CG1 4.48Å; I446-V485 HydrophobicContact CB-CG2 4.36Å; I446-V485 CarbonylContact O-C 3.58Å; I446-V485 WeakPolarHBondContact O-CA 3.46Å; I448-V485 HydrophobicContact CD1-CG1 4.2Å; I473-V485 HydrophobicContact CD1-CG1 3.66Å; I473-V485 HydrophobicContact CG1-CG1 4.14Å; I473-V485 HydrophobicContact CG2-CG2 4.33Å; L476-V485 HydrophobicContact CD2-CG2 3.79Å; F477-V485 HydrophobicContact CE1-CB 4.43Å; F477-V485 HydrophobicContact CE1-CG2 3.76Å; F477-V485 HydrophobicContact CZ-CB 4.15Å; F477-V485 HydrophobicContact CZ-CG2 3.93Å; V485-V523 HydrophobicContact CB-CG1 4.13Å; V485-V523 HydrophobicContact CG1-CG1 4.3Å; V485-V523 CarbonylContact O-C 3.58Å; V485-V523 VanDerWaalsContact O-CA 3.31Å; V485-V523 WeakPolarHBondContact O-CA 3.41Å; V485-V523 WeakPolarHBondContact O-CB 3.05Å; V485-G524 PolarHBondContact O-N 2.9Å
486I98.6Very high96.5Very high0 Ų038.3 Ų38.30%019%0.187CC..EExtended strand (participates in β ladder)trans-125.8127.1-176.1-57.885.6000109.1I446 V447 I448 K484 G524 I526 F554 Y557 I558I446-I486 PolarHBondContact O-N 3.39Å; V447-I486 CarbonylContact C-O 3.27Å; V447-I486 VanDerWaalsContact CA-O 3.29Å; V447-I486 WeakPolarHBondContact CA-O 3.37Å; V447-I486 HydrophobicContact CG2-CB 4.43Å; I448-I486 PolarHBondContact N-O 3.45Å; K484-I486 HydrophobicContact CB-CD1 4.01Å; I486-G524 CarbonylContact C-O 3.51Å; I486-G524 WeakPolarHBondContact CA-O 3.38Å; I486-I526 HydrophobicContact CG2-CD1 3.6Å; I486-I526 HydrophobicContact CG2-CG1 3.77Å; I486-F554 HydrophobicContact CD1-CD2 4.06Å; I486-F554 HydrophobicContact CD1-CE2 3.95Å; I486-F554 HydrophobicContact CG1-CD2 4.25Å; I486-Y557 HydrophobicContact CG1-CD2 4.06Å; I486-Y557 HydrophobicContact CG2-CD2 4.14Å; I486-Y557 HydrophobicContact CG2-CE2 4.44Å; I486-I558 HydrophobicContact CD1-CG2 4.14Å
487L98.4Very high95.8Very high5 Ų542.9 Ų42.93%0.02621%0.209CC..EExtended strand (participates in β ladder)trans-96.5120.4172.8-54.4178000108.5I448 I514 F518 V523 G524 I525 I526I448-L487 HydrophobicContact CB-CD2 3.98Å; I448-L487 HydrophobicContact CD1-CD2 4.25Å; L487-I514 HydrophobicContact CD1-CG2 3.97Å; L487-F518 HydrophobicContact CD1-CB 3.6Å; L487-F518 HydrophobicContact CD1-CD1 3.6Å; L487-F518 HydrophobicContact CD1-CD2 3.83Å; L487-F518 HydrophobicContact CD1-CE1 4.21Å; L487-F518 HydrophobicContact CD1-CE2 4.38Å; L487-F518 HydrophobicContact CD1-CG 3.39Å; L487-F518 HydrophobicContact CD2-CD1 4.42Å; L487-F518 HydrophobicContact CD2-CE1 4.32Å; L487-V523 HydrophobicContact CD1-CG2 3.94Å; L487-V523 HydrophobicContact CG-CG2 4.3Å; L487-G524 PolarHBondContact N-O 3.33Å; L487-I525 CarbonylContact O-C 3.57Å; L487-I525 WeakPolarHBondContact O-CA 3.42Å; L487-I526 PolarHBondContact O-N 2.79Å
488K98.1Very high95.4Very high6 Ų644 Ų443%0.02622%0.216CC..EExtended strand (participates in β ladder)trans-96.7122.1167.9164.8-171.8180-62.90107.9T368 L369 W372 V447 I448 T449 N491 I526 A528T368-K488 PolarHBondContact OG1-NZ 3.21Å; L369-K488 HydrophobicContact CD1-CD 4.19Å; W372-K488 HydrophobicContact CZ2-CD 3.85Å; V447-K488 HydrophobicContact CG1-CB 4.41Å; I448-K488 PolarHBondContact O-N 3.15Å; T449-K488 HydrophobicContact CG2-CD 4.42Å; T449-K488 HydrophobicContact CG2-CG 4.41Å; T449-K488 WeakPolarHBondContact OG1-CB 3.39Å; K488-N491 PolarHBondContact NZ-OD1 3.11Å; K488-N491 VanDerWaalsContact NZ-OD1 3.13Å; K488-I526 WeakPolarHBondContact CA-O 3.4Å; K488-I526 HydrophobicContact CB-CB 4.34Å; K488-A528 HydrophobicContact CG-CB 4.04Å
489T96.9Very high95.1Very high6 Ų637.3 Ų37.34%0.03718%0.182CC..PPolyproline II helixtrans-68.1167.3176690000111N511 I525 I526 A528 W529T489-N511 VanDerWaalsContact CG2-OD1 3.27Å; T489-N511 WeakPolarHBondContact CG2-OD1 3.46Å; T489-I525 HydrophobicContact CG2-CG2 4.03Å; T489-I526 PolarHBondContact N-O 3.28Å; T489-A528 WeakPolarHBondContact O-CB 3.46Å; T489-A528 PolarHBondContact OG1-N 3.05Å; T489-W529 PolarHBondContact OG1-N 3.16Å
490E95.6Very high95Very high7 Ų733.2 Ų33.23%0.03317%0.167CC..PPolyproline II helixtrans-62.6149.2173.6-68-173-113.600111.8L450 G451 Q452 R455 Q510 W529L450-E490 VanDerWaalsContact O-CG 3.27Å; L450-E490 WeakPolarHBondContact O-CG 3.46Å; G451-E490 VanDerWaalsContact C-OE2 3.23Å; G451-E490 VanDerWaalsContact CA-CD 3.42Å; G451-E490 WeakPolarHBondContact CA-OE1 3.34Å; Q452-E490 WeakPolarHBondContact CA-OE2 3.41Å; Q452-E490 VanDerWaalsContact CD-OE2 3.23Å; Q452-E490 PolarHBondContact N-OE2 2.86Å; Q452-E490 PolarHBondContact OE1-OE2 3.29Å; Q452-E490 VanDerWaalsContact OE1-OE2 3.11Å; R455-E490 IonicContact CZ-OE2 3.59Å; R455-E490 VanDerWaalsContact CZ-OE2 3.3Å; R455-E490 IonicContact NE-OE2 2.79Å; R455-E490 PolarHBondContact NE-OE2 2.65Å; R455-E490 IonicContact NH2-OE2 3.53Å; R455-E490 PolarHBondContact NH2-OE2 2.75Å; E490-Q510 WeakPolarHBondContact OE1-CB 3.11Å; E490-Q510 VanDerWaalsContact OE1-CD 3.29Å; E490-Q510 PolarHBondContact OE1-OE1 2.71Å; E490-W529 VanDerWaalsContact O-CA 3.29Å; E490-W529 WeakPolarHBondContact O-CA 3.09Å; E490-W529 WeakPolarHBondContact O-CB 3.25Å; E490-W529 PolarHBondContact O-N 3.45Å; E490-W529 VanDerWaalsContact O-N 3.15Å
491N96.9Very high94.7Very high0 Ų032.8 Ų32.80%016%0.164CC..PPolyproline II helixtrans-74.4147.8163.7-59.7-24.8000109.3Q452 R455 K488 A528 T532 A540 P542 Q550Q452-N491 PolarHBondContact NE2-O 3.39Å; R455-N491 PolarHBondContact NH2-O 2.85Å; K488-N491 PolarHBondContact NZ-OD1 3.11Å; K488-N491 VanDerWaalsContact NZ-OD1 3.13Å; N491-A528 WeakPolarHBondContact OD1-CB 3.24Å; N491-T532 HydrophobicContact CB-CG2 4.01Å; N491-A540 PolarHBondContact ND2-O 3.35Å; N491-P542 WeakPolarHBondContact ND2-CD 3.35Å; N491-Q550 PolarHBondContact OD1-NE2 3.15Å
492T96Very high94.6Very high0 Ų030 Ų300%014%0.142CC..PPolyproline II helixtrans-61.4157.9158.256.90000109.9D504 W529 T532 I533 N539T492-D504 WeakPolarHBondContact CB-OD2 3.44Å; T492-W529 HydrophobicContact CG2-CD2 3.95Å; T492-W529 HydrophobicContact CG2-CE3 4.08Å; T492-W529 HydrophobicContact CG2-CH2 4.08Å; T492-W529 HydrophobicContact CG2-CZ2 3.99Å; T492-W529 HydrophobicContact CG2-CZ3 4.15Å; T492-T532 PolarHBondContact N-OG1 2.74Å; T492-T532 WeakPolarHBondContact OG1-CB 3.3Å; T492-T532 PolarHBondContact OG1-OG1 2.89Å; T492-I533 HydrophobicContact CG2-CD1 4.25Å; T492-I533 HydrophobicContact CG2-CG1 3.67Å; T492-N539 CarbonylContact O-C 3.55Å; T492-N539 VanDerWaalsContact O-C 3.32Å; T492-N539 VanDerWaalsContact O-O 3.11Å
493R94.7Very high94.6Very high21 Ų2124.7 Ų24.78%0.07912%0.118CC..  trans-134.1-172.5-177.250.9160.242.3130.6-5.8112.5R455 I495 F502 D504 N538 A540R455-R493 VanDerWaalsContact NH1-CD 3.29Å; R493-I495 PolarHBondContact O-N 3.06Å; R493-F502 WeakPolarHBondContact CD-O 3.46Å; R493-D504 WeakPolarHBondContact CG-OD1 3.45Å; R493-D504 PolarHBondContact N-OD1 3.41Å; R493-D504 VanDerWaalsContact N-OD1 3.13Å; R493-D504 PolarHBondContact N-OD2 3.27Å; R493-N538 VanDerWaalsContact C-C 3.45Å; R493-N538 CarbonylContact C-O 3.26Å; R493-N538 CarbonylContact O-C 3.58Å; R493-N538 WeakPolarHBondContact O-CA 2.9Å; R493-A540 HydrophobicContact CB-CB 3.85Å
494E94.6Very high94.5Very high70 Ų7025 Ų2533%0.32712%0.119SC..  trans-58.8116-179.2-63.987.9152.400110.3H496 Q497 N538 A540E494-H496 VanDerWaalsContact C-N 3.27Å; E494-H496 PolarHBondContact O-N 2.89Å; E494-Q497 HydrophobicContact CB-CB 3.98Å; E494-Q497 PolarHBondContact O-N 3.36Å; E494-N538 VanDerWaalsContact CA-O 3.3Å; E494-N538 WeakPolarHBondContact CA-O 3.1Å; E494-N538 PolarHBondContact N-O 3.28Å; E494-A540 PolarHBondContact OE2-N 2.95Å
495I89.8Confident94.4Very high28 Ų2822.1 Ų22.114%0.14411%0.107CC..THydrogen-bonded Turntrans-59.5-35.5-170.9-66.5174.7000112.7I292 R493 N538I292-I495 HydrophobicContact CG2-CG2 3.43Å; I292-I495 VanDerWaalsContact CG2-CG2 3.43Å; R493-I495 PolarHBondContact O-N 3.06Å; I495-N538 HydrophobicContact CG1-CB 4.44Å
496H87.2Confident94.4Very high88 Ų8822.1 Ų22.141%0.40711%0.107SC..THydrogen-bonded Turntrans-98.33-172.2-52.7-59.2000114.2R289 I292 E494 N498R289-H496 HydrophobicContact CG-CB 4.36Å; I292-H496 PolarHBondContact O-CE1 3.24Å; E494-H496 VanDerWaalsContact C-N 3.27Å; E494-H496 PolarHBondContact O-N 2.89Å; H496-N498 PolarHBondContact O-N 3.22Å
497Q83.1Confident94.3Very high96 Ų9622.1 Ų22.145%0.44911%0.107SC..SBendtrans-85.1110.6-175.9-170.5177.251.100110.6E494 A499E494-Q497 HydrophobicContact CB-CB 3.98Å; E494-Q497 PolarHBondContact O-N 3.36Å; Q497-A499 PolarHBondContact O-N 2.83Å
498N90Very high94.2Very high61 Ų6126.2 Ų26.233%0.32612%0.123SC..  trans30.376.7174.7-168.2-44.8000113H496 E500 M501 F502H496-N498 PolarHBondContact O-N 3.22Å; N498-E500 PolarHBondContact O-N 3.35Å; N498-E500 VanDerWaalsContact O-N 3.15Å; N498-M501 HydrophobicContact CB-CE 4.36Å; N498-M501 WeakPolarHBondContact ND2-CE 3.31Å; N498-M501 PolarHBondContact O-N 3.36Å; N498-M501 VanDerWaalsContact O-N 3.08Å; N498-M501 PolarHBondContact OD1-N 3.39Å; N498-M501 VanDerWaalsContact OD1-N 3.12Å; N498-F502 HydrophobicContact CB-CD2 4.27Å; N498-F502 PolarHBondContact O-N 3.21Å
499A92.9Very high94.2Very high7 Ų726.2 Ų26.26%0.05812%0.123CC..Hα-helixtrans-54.6-37.2-174.300000112.3F287 I292 Q497 M501 S503F287-A499 HydrophobicContact CB-CB 4.01Å; F287-A499 HydrophobicContact CD1-CB 3.66Å; F287-A499 HydrophobicContact CE1-CB 4.47Å; F287-A499 HydrophobicContact CG-CB 3.95Å; I292-A499 HydrophobicContact CD1-CB 4.18Å; Q497-A499 PolarHBondContact O-N 2.83Å; A499-M501 VanDerWaalsContact C-N 3.3Å; A499-M501 PolarHBondContact O-N 2.03Å; A499-S503 WeakPolarHBondContact O-CB 3.32Å; A499-S503 PolarHBondContact O-N 2.89Å
500E94.1Very high94.3Very high10 Ų1026 Ų265%0.04712%0.121CC..Hα-helixtrans-55.7-42.4178.9-168.6176.8-174.800113.1L203 K213 S277 C278 L279 N498 H506L203-E500 HydrophobicContact CD2-CB 4.44Å; K213-E500 VanDerWaalsContact CE-CD 3.4Å; K213-E500 WeakPolarHBondContact CE-OE1 3.31Å; K213-E500 IonicContact NZ-OE1 3.34Å; K213-E500 PolarHBondContact NZ-OE1 3.47Å; S277-E500 WeakPolarHBondContact CB-OE2 3.33Å; S277-E500 PolarHBondContact OG-OE1 2.64Å; S277-E500 PolarHBondContact OG-OE2 3.42Å; C278-E500 PolarHBondContact N-OE1 3.18Å; L279-E500 HydrophobicContact CD1-CB 3.83Å; L279-E500 HydrophobicContact CD1-CG 3.72Å; L279-E500 HydrophobicContact CG-CG 4.08Å; N498-E500 PolarHBondContact O-N 3.35Å; N498-E500 VanDerWaalsContact O-N 3.15Å; E500-H506 PolarHBondContact O-NE2 3Å
501M93.3Very high94.3Very high8 Ų826.3 Ų26.34%0.03912%0.123CC..Hα-helixtrans-95.6-35.2-178.9-70.8-165.3-72.700114.1K213 I214 T273 R455 P456 N498 A499K213-M501 HydrophobicContact CB-SD 4.03Å; K213-M501 HydrophobicContact CD-CG 3.97Å; I214-M501 HydrophobicContact CD1-SD 3.81Å; T273-M501 HydrophobicContact CG2-CE 3.48Å; T273-M501 VanDerWaalsContact CG2-CE 3.48Å; T273-M501 HydrophobicContact CG2-SD 4.01Å; R455-M501 CarbonylContact C-O 3.58Å; R455-M501 WeakPolarHBondContact CB-O 3.36Å; P456-M501 HydrophobicContact CB-CB 4.25Å; P456-M501 HydrophobicContact CB-CG 4.27Å; P456-M501 HydrophobicContact CB-SD 4.38Å; P456-M501 HydrophobicContact CG-CB 4.25Å; N498-M501 HydrophobicContact CB-CE 4.36Å; N498-M501 WeakPolarHBondContact ND2-CE 3.31Å; N498-M501 PolarHBondContact O-N 3.36Å; N498-M501 VanDerWaalsContact O-N 3.08Å; N498-M501 PolarHBondContact OD1-N 3.39Å; N498-M501 VanDerWaalsContact OD1-N 3.12Å; A499-M501 VanDerWaalsContact C-N 3.3Å; A499-M501 PolarHBondContact O-N 2.03Å
502F94.3Very high94.2Very high33 Ų3328.8 Ų28.815%0.14514%0.136CC..Hα-helixtrans-126.64.6-163.8-61.2-59.3000114.3R455 P456 R493 N498 D504R455-F502 HydrophobicContact CB-CD1 4.49Å; R455-F502 PolarHBondContact NH1-O 2.81Å; R455-F502 VanDerWaalsContact NH1-O 3.08Å; P456-F502 HydrophobicContact CG-CD1 4.17Å; P456-F502 HydrophobicContact CG-CE1 3.52Å; P456-F502 HydrophobicContact CG-CZ 4.01Å; R493-F502 WeakPolarHBondContact CD-O 3.46Å; N498-F502 HydrophobicContact CB-CD2 4.27Å; N498-F502 PolarHBondContact O-N 3.21Å; F502-D504 PolarHBondContact O-N 2.66Å
503S95.8Very high94.3Very high6 Ų629 Ų294%0.04214%0.137CC..  trans-47.1142.8177.1174.60000112.3H195 R455 A499 F505 H506H195-S503 PolarHBondContact CD2-OG 2.84Å; H195-S503 VanDerWaalsContact CD2-OG 3.25Å; H195-S503 PolarHBondContact NE2-OG 3.42Å; R455-S503 PolarHBondContact NH1-O 3.04Å; R455-S503 VanDerWaalsContact NH1-O 3.16Å; A499-S503 WeakPolarHBondContact O-CB 3.32Å; A499-S503 PolarHBondContact O-N 2.89Å; S503-F505 PolarHBondContact O-N 2.89Å; S503-F505 WeakPolarHBondContact OG-CB 3.32Å; S503-F505 PolarHBondContact OG-N 2.94Å; S503-H506 WeakPolarHBondContact O-CB 3.41Å; S503-H506 PolarHBondContact O-N 3.45Å
504D96.8Very high94.4Very high7 Ų729.1 Ų29.14%0.03714%0.139CC..Hα-helixtrans-61.2-20.1171.2-87.1-15.7000112.4F149 R151 R455 T492 R493 F502 H506 G507 Y508 W529F149-D504 HydrophobicContact CE1-CB 4.09Å; F149-D504 HydrophobicContact CZ-CB 4.44Å; R151-D504 IonicContact CZ-OD2 3.85Å; R151-D504 IonicContact NH1-OD2 3.47Å; R151-D504 IonicContact NH2-OD2 3.97Å; R151-D504 PolarHBondContact NH2-OD2 3.4Å; R455-D504 IonicContact CZ-OD1 2.85Å; R455-D504 IonicContact NH1-OD1 3.79Å; R455-D504 PolarHBondContact NH1-OD1 3.29Å; R455-D504 IonicContact NH2-OD1 3.8Å; T492-D504 WeakPolarHBondContact CB-OD2 3.44Å; R493-D504 WeakPolarHBondContact CG-OD1 3.45Å; R493-D504 PolarHBondContact N-OD1 3.41Å; R493-D504 VanDerWaalsContact N-OD1 3.13Å; R493-D504 PolarHBondContact N-OD2 3.27Å; F502-D504 PolarHBondContact O-N 2.66Å; D504-H506 VanDerWaalsContact C-N 3.29Å; D504-H506 PolarHBondContact O-N 3.06Å; D504-G507 PolarHBondContact O-N 3.19Å; D504-Y508 WeakPolarHBondContact O-CB 3.38Å; D504-Y508 PolarHBondContact O-N 2.9Å; D504-W529 HydrophobicContact CB-CH2 3.67Å; D504-W529 HydrophobicContact CB-CZ2 4.36Å; D504-W529 WeakPolarHBondContact O-CH2 3.44Å
505F97.6Very high94.4Very high5 Ų528.8 Ų28.82%0.02214%0.135CC..Hα-helixtrans-53.8-47.2168.2167.9-112000111.5I95 F149 V200 L203 W204 S503 G507 Y508 I509I95-F505 HydrophobicContact CD1-CE2 4.27Å; I95-F505 HydrophobicContact CD1-CZ 3.86Å; I95-F505 HydrophobicContact CG1-CZ 4.4Å; I95-F505 HydrophobicContact CG2-CZ 4.4Å; F149-F505 HydrophobicContact CD1-CB 3.86Å; F149-F505 HydrophobicContact CD2-CD2 4.28Å; F149-F505 HydrophobicContact CE1-CB 4.03Å; F149-F505 HydrophobicContact CG-CB 4.2Å; F149-F505 HydrophobicContact CG-CD2 4.36Å; F149-F505 HydrophobicContact CZ-CB 4.47Å; V200-F505 HydrophobicContact CG1-CD2 3.89Å; V200-F505 HydrophobicContact CG1-CE1 4.25Å; V200-F505 HydrophobicContact CG1-CE2 3.39Å; V200-F505 HydrophobicContact CG1-CZ 3.59Å; L203-F505 HydrophobicContact CB-CD1 3.98Å; L203-F505 HydrophobicContact CB-CE1 4.16Å; L203-F505 HydrophobicContact CD1-CB 4.45Å; L203-F505 HydrophobicContact CD1-CD1 4.14Å; W204-F505 HydrophobicContact CB-CE1 4.12Å; W204-F505 HydrophobicContact CB-CZ 4.21Å; W204-F505 HydrophobicContact CE3-CE1 4.27Å; W204-F505 HydrophobicContact CE3-CZ 4.2Å; S503-F505 PolarHBondContact O-N 2.89Å; S503-F505 WeakPolarHBondContact OG-CB 3.32Å; S503-F505 PolarHBondContact OG-N 2.94Å; F505-G507 VanDerWaalsContact C-N 3.29Å; F505-G507 PolarHBondContact O-N 2.84Å; F505-Y508 PolarHBondContact O-N 2.86Å; F505-I509 HydrophobicContact CD2-CG1 4.28Å; F505-I509 HydrophobicContact CE2-CD1 3.84Å; F505-I509 HydrophobicContact CE2-CG1 3.73Å; F505-I509 HydrophobicContact CZ-CD1 4.3Å; F505-I509 HydrophobicContact CZ-CG1 3.91Å; F505-I509 WeakPolarHBondContact O-CG1 3.28Å; F505-I509 PolarHBondContact O-N 2.86Å; F505-I509 VanDerWaalsContact O-N 3.12Å
506H97.2Very high94.7Very high0 Ų031.5 Ų31.50%015%0.15CC..Hα-helixtrans-64.7-32.7-179.7-64-41.9000113.3R207 R455 E500 S503 D504 Q510R207-H506 WeakPolarHBondContact CD-ND1 2.99Å; R207-H506 PolarHBondContact NH1-O 3.32Å; R455-H506 HydrophobicContact CB-CB 3.98Å; R455-H506 HydrophobicContact CG-CB 4.18Å; E500-H506 PolarHBondContact O-NE2 3Å; S503-H506 WeakPolarHBondContact O-CB 3.41Å; S503-H506 PolarHBondContact O-N 3.45Å; D504-H506 VanDerWaalsContact C-N 3.29Å; D504-H506 PolarHBondContact O-N 3.06Å; H506-Q510 WeakPolarHBondContact O-CG 3.28Å; H506-Q510 PolarHBondContact O-N 2.86Å; H506-Q510 PolarHBondContact O-NE2 2.93Å
507G96.8Very high95.2Very high0 Ų027.3 Ų27.30%013%0.13CC..Hα-helixtrans-76.4-35176.300000112.5D504 F505 Q510 N511D504-G507 PolarHBondContact O-N 3.19Å; F505-G507 VanDerWaalsContact C-N 3.29Å; F505-G507 PolarHBondContact O-N 2.84Å; G507-Q510 PolarHBondContact O-N 3.33Å; G507-N511 PolarHBondContact O-N 3.16Å
508Y96.9Very high95.8Very high92 Ų9223 Ų2336%0.36111%0.11SC..Hα-helixtrans-62.8-45.2174.8177.7-106.2000111.7F149 D504 F505 Q510 N511 I512 W529F149-Y508 HydrophobicContact CD2-CD1 4.49Å; F149-Y508 AromaticContact CE2-CD1 3.83Å; F149-Y508 HydrophobicContact CE2-CD1 3.83Å; F149-Y508 HydrophobicContact CE2-CD2 4.41Å; F149-Y508 AromaticContact CE2-CG 3.73Å; F149-Y508 HydrophobicContact CE2-CG 3.73Å; F149-Y508 HydrophobicContact CZ-CG 4.3Å; D504-Y508 WeakPolarHBondContact O-CB 3.38Å; D504-Y508 PolarHBondContact O-N 2.9Å; F505-Y508 PolarHBondContact O-N 2.86Å; Y508-Q510 VanDerWaalsContact C-N 3.3Å; Y508-Q510 PolarHBondContact O-N 3.41Å; Y508-N511 WeakPolarHBondContact O-CB 3.39Å; Y508-N511 PolarHBondContact O-N 2.86Å; Y508-N511 VanDerWaalsContact O-N 3.12Å; Y508-I512 HydrophobicContact CD1-CD1 3.94Å; Y508-I512 HydrophobicContact CE1-CD1 3.38Å; Y508-I512 HydrophobicContact CE1-CG1 4.3Å; Y508-I512 HydrophobicContact CE2-CD1 4.45Å; Y508-I512 PolarHBondContact O-N 3.3Å; Y508-W529 HydrophobicContact CD2-CZ2 4.34Å
509I98Very high96Very high6 Ų624.7 Ų24.73%0.03112%0.122CC..Hα-helixtrans-59.7-41.5174.8-61.2-53.2000111.4L91 I95 W204 I459 F505 N511 I512 I513L91-I509 HydrophobicContact CD1-CG2 4.17Å; L91-I509 HydrophobicContact CD2-CG2 4Å; I95-I509 HydrophobicContact CD1-CD1 3.84Å; I95-I509 HydrophobicContact CD1-CG1 4.34Å; W204-I509 HydrophobicContact CH2-CG2 4.18Å; W204-I509 HydrophobicContact CZ3-CG1 4.46Å; W204-I509 HydrophobicContact CZ3-CG2 3.89Å; I459-I509 HydrophobicContact CD1-CG2 4.32Å; I459-I509 HydrophobicContact CG1-CG2 4.44Å; F505-I509 HydrophobicContact CD2-CG1 4.28Å; F505-I509 HydrophobicContact CE2-CD1 3.84Å; F505-I509 HydrophobicContact CE2-CG1 3.73Å; F505-I509 HydrophobicContact CZ-CD1 4.3Å; F505-I509 HydrophobicContact CZ-CG1 3.91Å; F505-I509 WeakPolarHBondContact O-CG1 3.28Å; F505-I509 PolarHBondContact O-N 2.86Å; F505-I509 VanDerWaalsContact O-N 3.12Å; I509-N511 VanDerWaalsContact C-N 3.34Å; I509-N511 PolarHBondContact O-N 2.8Å; I509-I512 HydrophobicContact CD1-CD1 4.49Å; I509-I512 PolarHBondContact O-N 3.43Å; I509-I513 HydrophobicContact CG2-CD1 3.83Å; I509-I513 WeakPolarHBondContact O-CD1 3.47Å; I509-I513 WeakPolarHBondContact O-CG1 3.03Å; I509-I513 PolarHBondContact O-N 3.04Å
510Q98Very high96.1Very high1 Ų131.2 Ų31.21%0.00516%0.156CC..Hα-helixtrans-64.1-37.7175.6-73.7173.772.200112.6R207 G451 I459 F462 E490 H506 G507 Y508 I513 I514R207-Q510 VanDerWaalsContact NH2-NE2 3.14Å; G451-Q510 PolarHBondContact O-OE1 3.44Å; I459-Q510 HydrophobicContact CD1-CG 3.84Å; F462-Q510 HydrophobicContact CD1-CB 4.18Å; F462-Q510 HydrophobicContact CD1-CG 3.68Å; F462-Q510 HydrophobicContact CD2-CG 4.09Å; F462-Q510 HydrophobicContact CE1-CB 3.63Å; F462-Q510 HydrophobicContact CE1-CG 3.67Å; F462-Q510 HydrophobicContact CE2-CB 4.21Å; F462-Q510 HydrophobicContact CE2-CG 4.07Å; F462-Q510 HydrophobicContact CG-CG 3.87Å; F462-Q510 HydrophobicContact CZ-CB 3.63Å; F462-Q510 HydrophobicContact CZ-CG 3.85Å; E490-Q510 WeakPolarHBondContact OE1-CB 3.11Å; E490-Q510 VanDerWaalsContact OE1-CD 3.29Å; E490-Q510 PolarHBondContact OE1-OE1 2.71Å; H506-Q510 WeakPolarHBondContact O-CG 3.28Å; H506-Q510 PolarHBondContact O-N 2.86Å; H506-Q510 PolarHBondContact O-NE2 2.93Å; G507-Q510 PolarHBondContact O-N 3.33Å; Y508-Q510 VanDerWaalsContact C-N 3.3Å; Y508-Q510 PolarHBondContact O-N 3.41Å; Q510-I513 PolarHBondContact O-N 3.26Å; Q510-I514 WeakPolarHBondContact O-CG1 3.4Å; Q510-I514 PolarHBondContact O-N 3.05Å
511N95.9Very high96.2Very high13 Ų1332 Ų327%0.0716%0.16CC..Hα-helixtrans-62.9-41.7175.1-168.49.5000111.7T489 G507 Y508 I509 R515 W529T489-N511 VanDerWaalsContact CG2-OD1 3.27Å; T489-N511 WeakPolarHBondContact CG2-OD1 3.46Å; G507-N511 PolarHBondContact O-N 3.16Å; Y508-N511 WeakPolarHBondContact O-CB 3.39Å; Y508-N511 PolarHBondContact O-N 2.86Å; Y508-N511 VanDerWaalsContact O-N 3.12Å; I509-N511 VanDerWaalsContact C-N 3.34Å; I509-N511 PolarHBondContact O-N 2.8Å; N511-R515 WeakPolarHBondContact O-CG 3.29Å; N511-R515 PolarHBondContact O-N 3.05Å; N511-R515 VanDerWaalsContact O-N 3.11Å; N511-R515 PolarHBondContact OD1-NE 2.63Å; N511-W529 WeakPolarHBondContact ND2-CB 3.36Å
512I95.6Very high96.3Very high52 Ų5235.7 Ų35.727%0.26718%0.181SC..Hα-helixtrans-60.4-49.6173.7-67169.7000110.4Y508 I509 I514 R515 D516Y508-I512 HydrophobicContact CD1-CD1 3.94Å; Y508-I512 HydrophobicContact CE1-CD1 3.38Å; Y508-I512 HydrophobicContact CE1-CG1 4.3Å; Y508-I512 HydrophobicContact CE2-CD1 4.45Å; Y508-I512 PolarHBondContact O-N 3.3Å; I509-I512 HydrophobicContact CD1-CD1 4.49Å; I509-I512 PolarHBondContact O-N 3.43Å; I512-I514 PolarHBondContact O-N 2.98Å; I512-R515 PolarHBondContact O-N 3.39Å; I512-R515 VanDerWaalsContact O-N 3.15Å; I512-D516 PolarHBondContact O-N 3.19Å
513I97.7Very high96.4Very high4 Ų434.6 Ų34.62%0.02118%0.176CC..Hα-helixtrans-59.7-45.3-178.9-69.6160.5000111.7I87 L91 I459 F462 I463 I509 Q510 R515 D516 I517I87-I513 HydrophobicContact CG2-CG1 4.41Å; L91-I513 HydrophobicContact CD1-CD1 3.79Å; L91-I513 HydrophobicContact CD1-CG1 4.09Å; I459-I513 HydrophobicContact CD1-CD1 3.59Å; I459-I513 HydrophobicContact CG1-CD1 3.64Å; F462-I513 HydrophobicContact CD1-CB 4.49Å; F462-I513 HydrophobicContact CD1-CD1 4.32Å; F462-I513 HydrophobicContact CD1-CG2 4.08Å; F462-I513 HydrophobicContact CE1-CB 4.15Å; F462-I513 HydrophobicContact CE1-CG2 3.92Å; I463-I513 HydrophobicContact CD1-CD1 4.3Å; I463-I513 HydrophobicContact CG1-CD1 3.88Å; I463-I513 HydrophobicContact CG1-CG1 4.48Å; I463-I513 HydrophobicContact CG1-CG2 4.11Å; I509-I513 HydrophobicContact CG2-CD1 3.83Å; I509-I513 WeakPolarHBondContact O-CD1 3.47Å; I509-I513 WeakPolarHBondContact O-CG1 3.03Å; I509-I513 PolarHBondContact O-N 3.04Å; Q510-I513 PolarHBondContact O-N 3.26Å; I513-R515 VanDerWaalsContact C-N 3.3Å; I513-R515 PolarHBondContact O-N 3.34Å; I513-D516 PolarHBondContact O-N 3.04Å; I513-I517 HydrophobicContact CG2-CD1 3.47Å; I513-I517 VanDerWaalsContact CG2-CD1 3.47Å; I513-I517 HydrophobicContact CG2-CG1 4.22Å; I513-I517 WeakPolarHBondContact O-CB 3.43Å; I513-I517 WeakPolarHBondContact O-CG1 3.45Å; I513-I517 PolarHBondContact O-N 3.16Å
514I96.4Very high96.5Very high24 Ų2434.3 Ų34.312%0.12318%0.175CC..Hα-helixtrans-63.2-37.9177.8-69.8-65.9000111.1F462 A466 L487 Q510 I512 F518F462-I514 HydrophobicContact CE1-CD1 4.02Å; F462-I514 HydrophobicContact CE1-CG1 3.87Å; F462-I514 HydrophobicContact CZ-CD1 3.65Å; F462-I514 HydrophobicContact CZ-CG1 3.52Å; A466-I514 HydrophobicContact CB-CD1 3.94Å; L487-I514 HydrophobicContact CD1-CG2 3.97Å; Q510-I514 WeakPolarHBondContact O-CG1 3.4Å; Q510-I514 PolarHBondContact O-N 3.05Å; I512-I514 PolarHBondContact O-N 2.98Å; I514-F518 HydrophobicContact CD1-CD2 4.35Å; I514-F518 HydrophobicContact CD1-CE2 3.75Å; I514-F518 HydrophobicContact CG2-CD2 4.18Å; I514-F518 HydrophobicContact CG2-CE2 4.5Å; I514-F518 WeakPolarHBondContact O-CB 3.38Å; I514-F518 WeakPolarHBondContact O-CD2 3.36Å; I514-F518 PolarHBondContact O-N 3.02Å
515R95.2Very high96.5Very high63 Ų6335.5 Ų35.524%0.23818%0.181CC..Hα-helixtrans-68.8-40178.3-72.4171.7-175.5-86.4-0.1112.1N511 I512 I513 V519 I525 D527N511-R515 WeakPolarHBondContact O-CG 3.29Å; N511-R515 PolarHBondContact O-N 3.05Å; N511-R515 VanDerWaalsContact O-N 3.11Å; N511-R515 PolarHBondContact OD1-NE 2.63Å; I512-R515 PolarHBondContact O-N 3.39Å; I512-R515 VanDerWaalsContact O-N 3.15Å; I513-R515 VanDerWaalsContact C-N 3.3Å; I513-R515 PolarHBondContact O-N 3.34Å; R515-V519 WeakPolarHBondContact O-CB 3.32Å; R515-V519 PolarHBondContact O-N 2.76Å; R515-I525 HydrophobicContact CG-CD1 4.37Å; R515-D527 IonicContact CZ-OD2 3.73Å; R515-D527 IonicContact NH2-OD1 2.97Å; R515-D527 PolarHBondContact NH2-OD1 3.42Å; R515-D527 IonicContact NH2-OD2 3.62Å; R515-D527 PolarHBondContact NH2-OD2 3.38Å
516D95.7Very high96.5Very high85 Ų8535.3 Ų35.346%0.45518%0.18SC..Hα-helixtrans-68.3-50.6178.7-173.869.7000111.7I512 I513 F518 V519I512-D516 PolarHBondContact O-N 3.19Å; I513-D516 PolarHBondContact O-N 3.04Å; D516-F518 VanDerWaalsContact C-N 3.28Å; D516-F518 PolarHBondContact O-N 2.71Å; D516-V519 VanDerWaalsContact O-CG1 3.25Å; D516-V519 WeakPolarHBondContact O-CG1 3.44Å; D516-V519 PolarHBondContact O-N 3.42Å
517I97.4Very high96.5Very high1 Ų135.6 Ų35.61%0.00518%0.182CC..Hα-helixtrans-62.5-35.3-176.4-73.2175.6000112.3I87 I463 A466 I467 Q470 I513I87-I517 HydrophobicContact CD1-CD1 4.21Å; I87-I517 HydrophobicContact CD1-CG1 4.17Å; I463-I517 HydrophobicContact CG2-CD1 4.36Å; A466-I517 HydrophobicContact CB-CD1 3.51Å; A466-I517 HydrophobicContact CB-CG2 4.44Å; I467-I517 HydrophobicContact CG1-CD1 3.99Å; Q470-I517 HydrophobicContact CB-CG2 3.92Å; Q470-I517 HydrophobicContact CG-CG2 4.29Å; Q470-I517 PolarHBondContact NE2-O 3.09Å; Q470-I517 VanDerWaalsContact NE2-O 3.1Å; Q470-I517 PolarHBondContact OE1-O 2.84Å; I513-I517 HydrophobicContact CG2-CD1 3.47Å; I513-I517 VanDerWaalsContact CG2-CD1 3.47Å; I513-I517 HydrophobicContact CG2-CG1 4.22Å; I513-I517 WeakPolarHBondContact O-CB 3.43Å; I513-I517 WeakPolarHBondContact O-CG1 3.45Å; I513-I517 PolarHBondContact O-N 3.16Å
518F96.8Very high96.5Very high6 Ų635.6 Ų35.63%0.02618%0.182CC..THydrogen-bonded Turntrans-102.87.8-174-64.2-98.3000113.4A466 I469 Q470 I473 L487 I514 D516 D520 L521 V523A466-F518 HydrophobicContact CB-CE2 4.19Å; A466-F518 WeakPolarHBondContact O-CZ 3.16Å; I469-F518 HydrophobicContact CB-CZ 4.1Å; I469-F518 HydrophobicContact CG2-CE1 3.94Å; I469-F518 HydrophobicContact CG2-CZ 3.8Å; Q470-F518 HydrophobicContact CB-CD1 4.45Å; Q470-F518 HydrophobicContact CB-CE1 4.01Å; Q470-F518 HydrophobicContact CB-CZ 4.26Å; I473-F518 HydrophobicContact CD1-CD1 4.1Å; I473-F518 HydrophobicContact CD1-CE1 3.65Å; L487-F518 HydrophobicContact CD1-CB 3.6Å; L487-F518 HydrophobicContact CD1-CD1 3.6Å; L487-F518 HydrophobicContact CD1-CD2 3.83Å; L487-F518 HydrophobicContact CD1-CE1 4.21Å; L487-F518 HydrophobicContact CD1-CE2 4.38Å; L487-F518 HydrophobicContact CD1-CG 3.39Å; L487-F518 HydrophobicContact CD2-CD1 4.42Å; L487-F518 HydrophobicContact CD2-CE1 4.32Å; I514-F518 HydrophobicContact CD1-CD2 4.35Å; I514-F518 HydrophobicContact CD1-CE2 3.75Å; I514-F518 HydrophobicContact CG2-CD2 4.18Å; I514-F518 HydrophobicContact CG2-CE2 4.5Å; I514-F518 WeakPolarHBondContact O-CB 3.38Å; I514-F518 WeakPolarHBondContact O-CD2 3.36Å; I514-F518 PolarHBondContact O-N 3.02Å; D516-F518 VanDerWaalsContact C-N 3.28Å; D516-F518 PolarHBondContact O-N 2.71Å; F518-D520 PolarHBondContact O-N 3.04Å; F518-L521 HydrophobicContact CD1-CD1 3.98Å; F518-L521 PolarHBondContact O-N 3.19Å; F518-L521 VanDerWaalsContact O-N 3.1Å; F518-V523 HydrophobicContact CB-CG2 4.27Å
519V94.1Very high96.5Very high95 Ų9531.7 Ų31.758%0.57617%0.166SC*.THydrogen-bonded Turntrans-58.1-34.1-17370.60000113.5R515 D516R515-V519 WeakPolarHBondContact O-CB 3.32Å; R515-V519 PolarHBondContact O-N 2.76Å; D516-V519 VanDerWaalsContact O-CG1 3.25Å; D516-V519 WeakPolarHBondContact O-CG1 3.44Å; D516-V519 PolarHBondContact O-N 3.42Å
520D93.9Very high96.4Very high145 Ų14531.4 Ų31.478%0.77517%0.165SC*.THydrogen-bonded Turntrans-91.8-2.7-176.4-61.6-44.3000113.4F518F518-D520 PolarHBondContact O-N 3.04Å
521L96.1Very high96.4Very high25 Ų2531.4 Ų31.413%0.13117%0.165CC..SBendtrans-93.4143.8178.2-63.3-172.3000111.5Q470 I473 E474 F477 F518 V523Q470-L521 HydrophobicContact CB-CD1 4.49Å; Q470-L521 HydrophobicContact CG-CD1 3.59Å; Q470-L521 HydrophobicContact CG-CG 4.31Å; I473-L521 HydrophobicContact CB-CD1 4.16Å; I473-L521 HydrophobicContact CG2-CD1 3.89Å; E474-L521 HydrophobicContact CG-CD1 4.42Å; E474-L521 HydrophobicContact CG-CD2 3.75Å; F477-L521 HydrophobicContact CE2-CB 4.49Å; F518-L521 HydrophobicContact CD1-CD1 3.98Å; F518-L521 PolarHBondContact O-N 3.19Å; F518-L521 VanDerWaalsContact O-N 3.1Å; L521-V523 HydrophobicContact CB-CG1 3.9Å; L521-V523 HydrophobicContact CB-CG2 4.47Å; L521-V523 PolarHBondContact O-N 3.08Å
522N96.3Very high96.5Very high87 Ų8730.8 Ų30.847%0.46516%0.161SC..  trans-75.465.9173.6-172.725.9000111.5I320 G321I320-N522 PolarHBondContact O-OD1 2.87Å; G321-N522 VanDerWaalsContact CA-OD1 3.26Å; G321-N522 WeakPolarHBondContact CA-OD1 3.3Å; G321-N522 PolarHBondContact N-OD1 2.85Å
523V97.4Very high96.6Very high9 Ų928.9 Ų28.96%0.05515%0.152CC..  trans-111.1154.6179.5-60.50000111.1G321 I473 F477 V485 L487 F518 L521G321-V523 PolarHBondContact N-O 3.08Å; I473-V523 HydrophobicContact CD1-CG1 4.5Å; I473-V523 HydrophobicContact CG2-CG1 4.4Å; F477-V523 HydrophobicContact CE2-CG1 4.32Å; F477-V523 HydrophobicContact CZ-CG1 4.22Å; V485-V523 HydrophobicContact CB-CG1 4.13Å; V485-V523 HydrophobicContact CG1-CG1 4.3Å; V485-V523 CarbonylContact O-C 3.58Å; V485-V523 VanDerWaalsContact O-CA 3.31Å; V485-V523 WeakPolarHBondContact O-CA 3.41Å; V485-V523 WeakPolarHBondContact O-CB 3.05Å; L487-V523 HydrophobicContact CD1-CG2 3.94Å; L487-V523 HydrophobicContact CG-CG2 4.3Å; F518-V523 HydrophobicContact CB-CG2 4.27Å; L521-V523 HydrophobicContact CB-CG1 3.9Å; L521-V523 HydrophobicContact CB-CG2 4.47Å; L521-V523 PolarHBondContact O-N 3.08Å
524G96.8Very high96.6Very high1 Ų128.7 Ų28.71%0.0115%0.151CC..EExtended strand (participates in β ladder)trans-85.2148.2166.900000111.1V485 I486 L487V485-G524 PolarHBondContact O-N 2.9Å; I486-G524 CarbonylContact C-O 3.51Å; I486-G524 WeakPolarHBondContact CA-O 3.38Å; L487-G524 PolarHBondContact N-O 3.33Å
525I96.4Very high96.6Very high31 Ų3128.5 Ų28.516%0.15915%0.149CC..EExtended strand (participates in β ladder)trans-120.1121.8171.4-62179.7000109.5L487 T489 R515 Y557L487-I525 CarbonylContact O-C 3.57Å; L487-I525 WeakPolarHBondContact O-CA 3.42Å; T489-I525 HydrophobicContact CG2-CG2 4.03Å; R515-I525 HydrophobicContact CG-CD1 4.37Å; I525-Y557 PolarHBondContact O-OH 3.32Å
526I97.5Very high96.6Very high1 Ų128.6 Ų28.61%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-98.5103.4166.9-63170000106.9W372 I486 L487 K488 T489 A528 M531 Q550 M553 F554 Y557W372-I526 HydrophobicContact CH2-CD1 3.59Å; W372-I526 HydrophobicContact CZ2-CD1 4.21Å; I486-I526 HydrophobicContact CG2-CD1 3.6Å; I486-I526 HydrophobicContact CG2-CG1 3.77Å; L487-I526 PolarHBondContact O-N 2.79Å; K488-I526 WeakPolarHBondContact CA-O 3.4Å; K488-I526 HydrophobicContact CB-CB 4.34Å; T489-I526 PolarHBondContact N-O 3.28Å; I526-A528 PolarHBondContact O-N 3.43Å; I526-M531 HydrophobicContact CG2-SD 4.23Å; I526-Q550 HydrophobicContact CG2-CB 4.31Å; I526-Q550 HydrophobicContact CG2-CG 4.39Å; I526-M553 HydrophobicContact CD1-CB 4.34Å; I526-M553 HydrophobicContact CG1-CB 4.08Å; I526-M553 HydrophobicContact CG2-CB 4.46Å; I526-F554 HydrophobicContact CD1-CB 3.65Å; I526-Y557 HydrophobicContact CG1-CD2 4.42Å; I526-Y557 HydrophobicContact CG1-CE2 3.98Å
527D96.9Very high96.6Very high7 Ų725.7 Ų25.74%0.03714%0.144CC..  trans-76.266.7-177.8-163.1-11.4000111.6S328 R515 W529 D530 M531S328-D527 WeakPolarHBondContact OG-CB 3.48Å; R515-D527 IonicContact CZ-OD2 3.73Å; R515-D527 IonicContact NH2-OD1 2.97Å; R515-D527 PolarHBondContact NH2-OD1 3.42Å; R515-D527 IonicContact NH2-OD2 3.62Å; R515-D527 PolarHBondContact NH2-OD2 3.38Å; D527-W529 PolarHBondContact O-N 3.44Å; D527-W529 VanDerWaalsContact O-N 3.14Å; D527-W529 WeakPolarHBondContact OD1-CB 3.07Å; D527-D530 HydrophobicContact CB-CB 4.14Å; D527-D530 PolarHBondContact O-N 3.22Å; D527-D530 WeakPolarHBondContact OD1-CB 3.47Å; D527-D530 PolarHBondContact OD1-N 3.35Å; D527-M531 VanDerWaalsContact O-CG 3.27Å; D527-M531 WeakPolarHBondContact O-CG 3.47Å; D527-M531 PolarHBondContact O-N 2.63Å
528A97.3Very high96.3Very high0 Ų027.9 Ų27.90%016%0.155CC..Hα-helixtrans-60.9-21.5177.700000112.5K488 T489 N491 I526 T532K488-A528 HydrophobicContact CG-CB 4.04Å; T489-A528 WeakPolarHBondContact O-CB 3.46Å; T489-A528 PolarHBondContact OG1-N 3.05Å; N491-A528 WeakPolarHBondContact OD1-CB 3.24Å; I526-A528 PolarHBondContact O-N 3.43Å; A528-T532 WeakPolarHBondContact O-CB 3.4Å; A528-T532 VanDerWaalsContact O-CG2 3.27Å; A528-T532 WeakPolarHBondContact O-CG2 3.46Å; A528-T532 PolarHBondContact O-N 3.4Å; A528-T532 PolarHBondContact O-OG1 3.24Å
529W96.5Very high96.3Very high9 Ų930.3 Ų30.33%0.03417%0.168CC..Hα-helixtrans-64.5-56.8173.9-177.9-86.5000110F149 T489 E490 T492 D504 Y508 N511 D527 M531 T532 I533F149-W529 HydrophobicContact CZ-CZ2 4.37Å; T489-W529 PolarHBondContact OG1-N 3.16Å; E490-W529 VanDerWaalsContact O-CA 3.29Å; E490-W529 WeakPolarHBondContact O-CA 3.09Å; E490-W529 WeakPolarHBondContact O-CB 3.25Å; E490-W529 PolarHBondContact O-N 3.45Å; E490-W529 VanDerWaalsContact O-N 3.15Å; T492-W529 HydrophobicContact CG2-CD2 3.95Å; T492-W529 HydrophobicContact CG2-CE3 4.08Å; T492-W529 HydrophobicContact CG2-CH2 4.08Å; T492-W529 HydrophobicContact CG2-CZ2 3.99Å; T492-W529 HydrophobicContact CG2-CZ3 4.15Å; D504-W529 HydrophobicContact CB-CH2 3.67Å; D504-W529 HydrophobicContact CB-CZ2 4.36Å; D504-W529 WeakPolarHBondContact O-CH2 3.44Å; Y508-W529 HydrophobicContact CD2-CZ2 4.34Å; N511-W529 WeakPolarHBondContact ND2-CB 3.36Å; D527-W529 PolarHBondContact O-N 3.44Å; D527-W529 VanDerWaalsContact O-N 3.14Å; D527-W529 WeakPolarHBondContact OD1-CB 3.07Å; W529-M531 VanDerWaalsContact C-N 3.34Å; W529-M531 PolarHBondContact O-N 3.32Å; W529-T532 PolarHBondContact O-N 3.22Å; W529-T532 PolarHBondContact O-OG1 3.24Å; W529-I533 PolarHBondContact O-N 3.39Å; W529-I533 VanDerWaalsContact O-N 3.13Å
530D97.3Very high96.3Very high0 Ų026 Ų260%014%0.143CC..Hα-helixtrans-61.6-42.4178-171.922.7000111.9S164 P327 S328 G329 W336 D527 T532 I533 A534S164-D530 WeakPolarHBondContact CB-OD1 3.43Å; S164-D530 PolarHBondContact OG-OD1 3.17Å; P327-D530 WeakPolarHBondContact CB-OD2 3.42Å; S328-D530 WeakPolarHBondContact CA-OD2 3.27Å; S328-D530 WeakPolarHBondContact CB-OD2 3.42Å; S328-D530 PolarHBondContact N-OD2 3.03Å; S328-D530 PolarHBondContact OG-OD2 3.34Å; G329-D530 PolarHBondContact N-OD2 3.17Å; W336-D530 HydrophobicContact CH2-CB 4.45Å; D527-D530 HydrophobicContact CB-CB 4.14Å; D527-D530 PolarHBondContact O-N 3.22Å; D527-D530 WeakPolarHBondContact OD1-CB 3.47Å; D527-D530 PolarHBondContact OD1-N 3.35Å; D530-T532 PolarHBondContact O-N 3.5Å; D530-I533 PolarHBondContact O-N 3.43Å; D530-A534 WeakPolarHBondContact O-CB 3.19Å; D530-A534 PolarHBondContact O-N 3.43Å
531M97.9Very high96.5Very high1 Ų122.8 Ų22.81%0.00512%0.123CC..Hα-helixtrans-55.5-49.4174.8-66.117778.700111.8W336 I526 D527 W529 I533 A534 Y535 N549 Q550W336-M531 HydrophobicContact CB-CE 3.9Å; W336-M531 HydrophobicContact CD2-CE 4.07Å; W336-M531 HydrophobicContact CD2-CG 3.69Å; W336-M531 HydrophobicContact CD2-SD 4.44Å; W336-M531 HydrophobicContact CE3-CB 4.31Å; W336-M531 HydrophobicContact CE3-CG 3.77Å; W336-M531 HydrophobicContact CG-CE 3.76Å; W336-M531 HydrophobicContact CG-CG 4.34Å; W336-M531 HydrophobicContact CH2-CG 3.88Å; W336-M531 HydrophobicContact CZ2-CG 3.82Å; W336-M531 HydrophobicContact CZ3-CB 4.26Å; W336-M531 HydrophobicContact CZ3-CG 3.87Å; I526-M531 HydrophobicContact CG2-SD 4.23Å; D527-M531 VanDerWaalsContact O-CG 3.27Å; D527-M531 WeakPolarHBondContact O-CG 3.47Å; D527-M531 PolarHBondContact O-N 2.63Å; W529-M531 VanDerWaalsContact C-N 3.34Å; W529-M531 PolarHBondContact O-N 3.32Å; M531-I533 VanDerWaalsContact C-N 3.32Å; M531-I533 PolarHBondContact O-N 2.74Å; M531-A534 WeakPolarHBondContact O-CB 3.24Å; M531-A534 PolarHBondContact O-N 2.88Å; M531-Y535 HydrophobicContact CB-CD2 4.38Å; M531-Y535 HydrophobicContact CB-CE2 4.47Å; M531-Y535 HydrophobicContact CE-CE2 4.36Å; M531-Y535 WeakPolarHBondContact O-CB 3.48Å; M531-Y535 WeakPolarHBondContact O-CD2 3.24Å; M531-Y535 PolarHBondContact O-N 2.73Å; M531-N549 HydrophobicContact CE-CB 3.6Å; M531-Q550 HydrophobicContact CE-CB 4.5Å; M531-Q550 HydrophobicContact CE-CG 3.82Å; M531-Q550 HydrophobicContact SD-CG 3.74Å
532T97.6Very high96.5Very high0 Ų021.7 Ų21.70%012%0.117CC..Hα-helixtrans-70.5-27.3-176.752.50000113.3N491 T492 A528 W529 D530 C536 T537 P542 V546N491-T532 HydrophobicContact CB-CG2 4.01Å; T492-T532 PolarHBondContact N-OG1 2.74Å; T492-T532 WeakPolarHBondContact OG1-CB 3.3Å; T492-T532 PolarHBondContact OG1-OG1 2.89Å; A528-T532 WeakPolarHBondContact O-CB 3.4Å; A528-T532 VanDerWaalsContact O-CG2 3.27Å; A528-T532 WeakPolarHBondContact O-CG2 3.46Å; A528-T532 PolarHBondContact O-N 3.4Å; A528-T532 PolarHBondContact O-OG1 3.24Å; W529-T532 PolarHBondContact O-N 3.22Å; W529-T532 PolarHBondContact O-OG1 3.24Å; D530-T532 PolarHBondContact O-N 3.5Å; T532-C536 PolarHBondContact O-N 3.06Å; T532-T537 WeakPolarHBondContact CB-OG1 3.32Å; T532-T537 PolarHBondContact O-N 3.07Å; T532-T537 VanDerWaalsContact O-N 3.16Å; T532-P542 HydrophobicContact CG2-CB 4.36Å; T532-P542 HydrophobicContact CG2-CG 4.28Å; T532-V546 HydrophobicContact CG2-CG1 4.28Å
533I97.5Very high96.5Very high12 Ų1220 Ų206%0.06211%0.111CC..Hα-helixtrans-66.9-50.3167.5-66175.7000110.3R151 R153 T492 W529 D530 M531 Y535 C536R151-I533 HydrophobicContact CG-CD1 4.48Å; R151-I533 HydrophobicContact CG-CG2 4.39Å; R153-I533 HydrophobicContact CB-CG2 4.42Å; R153-I533 WeakPolarHBondContact CD-O 3.25Å; R153-I533 PolarHBondContact NE-O 2.75Å; T492-I533 HydrophobicContact CG2-CD1 4.25Å; T492-I533 HydrophobicContact CG2-CG1 3.67Å; W529-I533 PolarHBondContact O-N 3.39Å; W529-I533 VanDerWaalsContact O-N 3.13Å; D530-I533 PolarHBondContact O-N 3.43Å; M531-I533 VanDerWaalsContact C-N 3.32Å; M531-I533 PolarHBondContact O-N 2.74Å; I533-Y535 VanDerWaalsContact C-N 3.3Å; I533-Y535 PolarHBondContact O-N 2.89Å; I533-C536 PolarHBondContact O-N 3.41Å
534A97.8Very high96.4Very high0 Ų022.9 Ų22.90%013%0.126CC..Hα-helixtrans-56.6-44.2179.800000111.9R153 G162 T331 W336 D530 M531 C536R153-A534 PolarHBondContact NE-O 2.97Å; R153-A534 PolarHBondContact NH2-O 2.8Å; G162-A534 WeakPolarHBondContact O-CB 3.18Å; T331-A534 HydrophobicContact CG2-CB 4.19Å; W336-A534 HydrophobicContact CZ3-CB 3.8Å; D530-A534 WeakPolarHBondContact O-CB 3.19Å; D530-A534 PolarHBondContact O-N 3.43Å; M531-A534 WeakPolarHBondContact O-CB 3.24Å; M531-A534 PolarHBondContact O-N 2.88Å; A534-C536 VanDerWaalsContact C-N 3.31Å; A534-C536 PolarHBondContact O-N 3.46Å
535Y97.1Very high96.3Very high21 Ų2126.5 Ų26.58%0.08214%0.14CC..Hα-helixtrans-75.9-11.1176-73.2-65.6000114.8T331 K334 W336 M531 I533 T537 Y545 V546 N549T331-Y535 HydrophobicContact CG2-CD1 3.9Å; T331-Y535 HydrophobicContact CG2-CE1 4.04Å; T331-Y535 HydrophobicContact CG2-CG 4.44Å; T331-Y535 WeakPolarHBondContact OG1-CE1 3.32Å; K334-Y535 PolarHBondContact O-OH 3.48Å; W336-Y535 HydrophobicContact CE3-CE2 4.44Å; W336-Y535 PolarHBondContact N-OH 2.84Å; M531-Y535 HydrophobicContact CB-CD2 4.38Å; M531-Y535 HydrophobicContact CB-CE2 4.47Å; M531-Y535 HydrophobicContact CE-CE2 4.36Å; M531-Y535 WeakPolarHBondContact O-CB 3.48Å; M531-Y535 WeakPolarHBondContact O-CD2 3.24Å; M531-Y535 PolarHBondContact O-N 2.73Å; I533-Y535 VanDerWaalsContact C-N 3.3Å; I533-Y535 PolarHBondContact O-N 2.89Å; Y535-T537 VanDerWaalsContact C-N 3.32Å; Y535-T537 PolarHBondContact O-N 3.23Å; Y535-Y545 HydrophobicContact CD1-CD2 4.11Å; Y535-Y545 AromaticContact CD1-CE2 3.49Å; Y535-Y545 HydrophobicContact CD1-CE2 3.49Å; Y535-Y545 VanDerWaalsContact CD1-CE2 3.49Å; Y535-Y545 AromaticContact CE1-CD2 3.89Å; Y535-Y545 HydrophobicContact CE1-CD2 3.89Å; Y535-Y545 AromaticContact CE1-CE2 3.77Å; Y535-Y545 HydrophobicContact CE1-CE2 3.77Å; Y535-Y545 HydrophobicContact CG-CE2 4.04Å; Y535-V546 HydrophobicContact CD1-CG2 4.32Å; Y535-V546 HydrophobicContact CD2-CB 4.36Å; Y535-V546 HydrophobicContact CD2-CG1 4.03Å; Y535-V546 HydrophobicContact CD2-CG2 3.65Å; Y535-V546 HydrophobicContact CE2-CG1 4.32Å; Y535-V546 HydrophobicContact CE2-CG2 4.15Å; Y535-V546 HydrophobicContact CG-CG2 3.78Å; Y535-N549 VanDerWaalsContact OH-CG 3.27Å; Y535-N549 PolarHBondContact OH-ND2 3.44Å; Y535-N549 VanDerWaalsContact OH-ND2 3.08Å
536C95.5Very high96.3Very high64 Ų6425 Ų2543%0.43213%0.132SC..THydrogen-bonded Turntrans5443.1-176-157.10000113.3T532 I533 A534T532-C536 PolarHBondContact O-N 3.06Å; I533-C536 PolarHBondContact O-N 3.41Å; A534-C536 VanDerWaalsContact C-N 3.31Å; A534-C536 PolarHBondContact O-N 3.46Å
537T94.6Very high96.3Very high25 Ų2525 Ų2515%0.15313%0.132CC..  trans-76.6-37.4-174.2560000113.3T532 Y535 N539 P542 V546T532-T537 WeakPolarHBondContact CB-OG1 3.32Å; T532-T537 PolarHBondContact O-N 3.07Å; T532-T537 VanDerWaalsContact O-N 3.16Å; Y535-T537 VanDerWaalsContact C-N 3.32Å; Y535-T537 PolarHBondContact O-N 3.23Å; T537-N539 PolarHBondContact O-N 2.9Å; T537-N539 VanDerWaalsContact O-N 3.14Å; T537-P542 HydrophobicContact CG2-CB 4.03Å; T537-V546 HydrophobicContact CG2-CG2 3.84Å
538N92.2Very high96.3Very high47 Ų4728.4 Ų28.425%0.25115%0.148SC..  trans45.643.6-176.2-61.4-36.6000112.8R151 R493 E494 I495R151-N538 PolarHBondContact NH1-OD1 3.5Å; R493-N538 VanDerWaalsContact C-C 3.45Å; R493-N538 CarbonylContact C-O 3.26Å; R493-N538 CarbonylContact O-C 3.58Å; R493-N538 WeakPolarHBondContact O-CA 2.9Å; E494-N538 VanDerWaalsContact CA-O 3.3Å; E494-N538 WeakPolarHBondContact CA-O 3.1Å; E494-N538 PolarHBondContact N-O 3.28Å; I495-N538 HydrophobicContact CG1-CB 4.44Å
539N95.1Very high96.2Very high56 Ų5629.5 Ų29.530%0.29915%0.154SC..  trans-148.7124.1-173.8-177.8-21.5000108.6T492 T537 H541T492-N539 CarbonylContact O-C 3.55Å; T492-N539 VanDerWaalsContact O-C 3.32Å; T492-N539 VanDerWaalsContact O-O 3.11Å; T537-N539 PolarHBondContact O-N 2.9Å; T537-N539 VanDerWaalsContact O-N 3.14Å; N539-H541 PolarHBondContact ND2-O 3.49Å; N539-H541 PolarHBondContact O-N 2.9Å; N539-H541 WeakPolarHBondContact OD1-CA 3.28Å; N539-H541 PolarHBondContact OD1-N 2.86Å; N539-H541 PolarHBondContact OD1-O 3.28Å
540A95.3Very high96.3Very high5 Ų529 Ų294%0.04115%0.152CC..SBendtrans-57-30.7179.300000112.6T368 N491 R493 E494 P542T368-A540 VanDerWaalsContact CG2-O 3.28Å; T368-A540 WeakPolarHBondContact CG2-O 3.46Å; N491-A540 PolarHBondContact ND2-O 3.35Å; R493-A540 HydrophobicContact CB-CB 3.85Å; E494-A540 PolarHBondContact OE2-N 2.95Å; A540-P542 VanDerWaalsContact O-CD 3.29Å; A540-P542 WeakPolarHBondContact O-CD 3.44Å
541H96.7Very high96.3Very high78 Ų7829.2 Ų29.236%0.36115%0.153SC..SBendtrans-112.778.9177-59.399.9000110.2S367 Q371 N539S367-H541 PolarHBondContact OG-NE2 3.33Å; Q371-H541 VanDerWaalsContact OE1-CA 3.28Å; N539-H541 PolarHBondContact ND2-O 3.49Å; N539-H541 PolarHBondContact O-N 2.9Å; N539-H541 WeakPolarHBondContact OD1-CA 3.28Å; N539-H541 PolarHBondContact OD1-N 2.86Å; N539-H541 PolarHBondContact OD1-O 3.28Å
542P96.9Very high96.2Very high1 Ų129.9 Ų29.91%0.00616%0.16CC..  trans-65.9160.5-174.930.8-37.3000111.6Q371 N491 T532 T537 A540 V546 I547Q371-P542 PolarHBondContact NE2-O 2.88Å; N491-P542 WeakPolarHBondContact ND2-CD 3.35Å; T532-P542 HydrophobicContact CG2-CB 4.36Å; T532-P542 HydrophobicContact CG2-CG 4.28Å; T537-P542 HydrophobicContact CG2-CB 4.03Å; A540-P542 VanDerWaalsContact O-CD 3.29Å; A540-P542 WeakPolarHBondContact O-CD 3.44Å; P542-V546 HydrophobicContact CB-CB 3.92Å; P542-V546 HydrophobicContact CB-CG1 4.02Å; P542-V546 HydrophobicContact CB-CG2 4.21Å; P542-V546 HydrophobicContact CG-CB 4.27Å; P542-V546 HydrophobicContact CG-CG1 4.04Å; P542-I547 HydrophobicContact CG-CD1 3.91Å
543P96.8Very high96.1Very high53 Ų5330.1 Ų30.134%0.34416%0.162SC..  trans-67.3163.2-177.728-37000113.3Y545 V546 I547P543-Y545 HydrophobicContact CB-CD1 3.94Å; P543-Y545 HydrophobicContact CB-CE1 3.7Å; P543-Y545 HydrophobicContact CG-CD1 3.75Å; P543-Y545 HydrophobicContact CG-CE1 3.11Å; P543-Y545 HydrophobicContact CG-CE2 4.32Å; P543-Y545 VanDerWaalsContact CG-CZ 3.44Å; P543-Y545 PolarHBondContact O-N 3.48Å; P543-V546 HydrophobicContact CG-CG2 4.28Å; P543-V546 PolarHBondContact O-N 3.25Å; P543-I547 PolarHBondContact O-N 2.91Å
544D95.8Very high96.1Very high69 Ų6929.7 Ų29.737%0.36916%0.159SC..Hα-helixtrans-48.7-37.9-175.3-80.26000114.5Y375 K378 V546 I547 Q548Y375-D544 HydrophobicContact CD2-CB 4.1Å; Y375-D544 HydrophobicContact CE2-CB 4.1Å; K378-D544 IonicContact NZ-OD2 3.57Å; K378-D544 PolarHBondContact NZ-OD2 2.87Å; D544-V546 VanDerWaalsContact C-N 3.27Å; D544-V546 PolarHBondContact O-N 3.49Å; D544-I547 PolarHBondContact O-N 3.23Å; D544-Q548 WeakPolarHBondContact O-CB 3.3Å; D544-Q548 PolarHBondContact O-N 2.92Å
545Y94.1Very high96.1Very high76 Ų7629.8 Ų29.830%0.29816%0.16SC..Hα-helixtrans-66.5-29.6-179.568.4-96.9000112.3Y535 P543 N549Y535-Y545 HydrophobicContact CD1-CD2 4.11Å; Y535-Y545 AromaticContact CD1-CE2 3.49Å; Y535-Y545 HydrophobicContact CD1-CE2 3.49Å; Y535-Y545 VanDerWaalsContact CD1-CE2 3.49Å; Y535-Y545 AromaticContact CE1-CD2 3.89Å; Y535-Y545 HydrophobicContact CE1-CD2 3.89Å; Y535-Y545 AromaticContact CE1-CE2 3.77Å; Y535-Y545 HydrophobicContact CE1-CE2 3.77Å; Y535-Y545 HydrophobicContact CG-CE2 4.04Å; P543-Y545 HydrophobicContact CB-CD1 3.94Å; P543-Y545 HydrophobicContact CB-CE1 3.7Å; P543-Y545 HydrophobicContact CG-CD1 3.75Å; P543-Y545 HydrophobicContact CG-CE1 3.11Å; P543-Y545 HydrophobicContact CG-CE2 4.32Å; P543-Y545 VanDerWaalsContact CG-CZ 3.44Å; P543-Y545 PolarHBondContact O-N 3.48Å; Y545-N549 PolarHBondContact O-N 2.93Å; Y545-N549 PolarHBondContact O-ND2 3.01Å
546V96.8Very high96Very high0 Ų029 Ų290%016%0.157CC..Hα-helixtrans-75-43.2173.2-178.40000110T532 Y535 T537 P542 P543 D544 Q548 N549 Q550T532-V546 HydrophobicContact CG2-CG1 4.28Å; Y535-V546 HydrophobicContact CD1-CG2 4.32Å; Y535-V546 HydrophobicContact CD2-CB 4.36Å; Y535-V546 HydrophobicContact CD2-CG1 4.03Å; Y535-V546 HydrophobicContact CD2-CG2 3.65Å; Y535-V546 HydrophobicContact CE2-CG1 4.32Å; Y535-V546 HydrophobicContact CE2-CG2 4.15Å; Y535-V546 HydrophobicContact CG-CG2 3.78Å; T537-V546 HydrophobicContact CG2-CG2 3.84Å; P542-V546 HydrophobicContact CB-CB 3.92Å; P542-V546 HydrophobicContact CB-CG1 4.02Å; P542-V546 HydrophobicContact CB-CG2 4.21Å; P542-V546 HydrophobicContact CG-CB 4.27Å; P542-V546 HydrophobicContact CG-CG1 4.04Å; P543-V546 HydrophobicContact CG-CG2 4.28Å; P543-V546 PolarHBondContact O-N 3.25Å; D544-V546 VanDerWaalsContact C-N 3.27Å; D544-V546 PolarHBondContact O-N 3.49Å; V546-Q548 VanDerWaalsContact C-N 3.3Å; V546-Q548 PolarHBondContact O-N 3.37Å; V546-N549 PolarHBondContact O-N 2.97Å; V546-N549 VanDerWaalsContact O-N 3.14Å; V546-Q550 HydrophobicContact CG1-CG 4.48Å; V546-Q550 WeakPolarHBondContact O-CG 3.49Å; V546-Q550 PolarHBondContact O-N 2.98Å
547I97.3Very high96Very high1 Ų126.4 Ų26.41%0.00514%0.138CC..Hα-helixtrans-59.4-42.8176.7-57-57.6000111Q371 W372 Y375 P542 P543 D544 N549 Q550 I551Q371-I547 HydrophobicContact CB-CD1 3.95Å; Q371-I547 HydrophobicContact CB-CG1 4.23Å; W372-I547 HydrophobicContact CG-CG2 4.45Å; Y375-I547 HydrophobicContact CD2-CG2 4.37Å; Y375-I547 HydrophobicContact CG-CG2 3.98Å; P542-I547 HydrophobicContact CG-CD1 3.91Å; P543-I547 PolarHBondContact O-N 2.91Å; D544-I547 PolarHBondContact O-N 3.23Å; I547-N549 VanDerWaalsContact C-N 3.32Å; I547-N549 PolarHBondContact O-N 3.44Å; I547-Q550 WeakPolarHBondContact O-CB 3.29Å; I547-Q550 PolarHBondContact O-N 3.5Å; I547-I551 HydrophobicContact CG2-CD1 3.88Å; I547-I551 WeakPolarHBondContact O-CG1 3.2Å; I547-I551 PolarHBondContact O-N 3.43Å
548Q95.8Very high96.1Very high79 Ų7925.9 Ų25.937%0.36913%0.134SC..Hα-helixtrans-54.8-47.2173.7179.8172.70.500111.9Y375 D544 V546 I551 G552Y375-Q548 HydrophobicContact CE1-CB 4.08Å; Y375-Q548 HydrophobicContact CE1-CG 4.27Å; Y375-Q548 HydrophobicContact CE2-CB 3.88Å; Y375-Q548 VanDerWaalsContact CZ-CB 3.48Å; Y375-Q548 VanDerWaalsContact OH-CB 3.26Å; Y375-Q548 WeakPolarHBondContact OH-CB 3.22Å; Y375-Q548 WeakPolarHBondContact OH-CG 3.44Å; Y375-Q548 PolarHBondContact OH-OE1 3.46Å; D544-Q548 WeakPolarHBondContact O-CB 3.3Å; D544-Q548 PolarHBondContact O-N 2.92Å; V546-Q548 VanDerWaalsContact C-N 3.3Å; V546-Q548 PolarHBondContact O-N 3.37Å; Q548-I551 PolarHBondContact O-N 3.07Å; Q548-G552 PolarHBondContact O-N 3.17Å
549N96.2Very high96Very high22 Ų2227.2 Ų27.212%0.11815%0.146CC..Hα-helixtrans-71.6-33.6-178.8-80-78.2000112.1K334 W336 M531 Y535 Y545 V546 I547 G552 M553K334-N549 PolarHBondContact O-ND2 3.4Å; W336-N549 HydrophobicContact CB-CB 3.71Å; W336-N549 WeakPolarHBondContact CB-OD1 3.46Å; W336-N549 PolarHBondContact N-OD1 3.23Å; M531-N549 HydrophobicContact CE-CB 3.6Å; Y535-N549 VanDerWaalsContact OH-CG 3.27Å; Y535-N549 PolarHBondContact OH-ND2 3.44Å; Y535-N549 VanDerWaalsContact OH-ND2 3.08Å; Y545-N549 PolarHBondContact O-N 2.93Å; Y545-N549 PolarHBondContact O-ND2 3.01Å; V546-N549 PolarHBondContact O-N 2.97Å; V546-N549 VanDerWaalsContact O-N 3.14Å; I547-N549 VanDerWaalsContact C-N 3.32Å; I547-N549 PolarHBondContact O-N 3.44Å; N549-G552 PolarHBondContact O-N 3.33Å; N549-M553 PolarHBondContact O-N 3.02Å
550Q97.6Very high96Very high0 Ų025.8 Ų25.80%014%0.138CC..Hα-helixtrans-62.7-46.3172.3-71177.12.700110.7W372 N491 I526 M531 V546 I547 M553 F554W372-Q550 HydrophobicContact CZ2-CB 3.7Å; W372-Q550 VanDerWaalsContact NE1-OE1 3.12Å; N491-Q550 PolarHBondContact OD1-NE2 3.15Å; I526-Q550 HydrophobicContact CG2-CB 4.31Å; I526-Q550 HydrophobicContact CG2-CG 4.39Å; M531-Q550 HydrophobicContact CE-CB 4.5Å; M531-Q550 HydrophobicContact CE-CG 3.82Å; M531-Q550 HydrophobicContact SD-CG 3.74Å; V546-Q550 HydrophobicContact CG1-CG 4.48Å; V546-Q550 WeakPolarHBondContact O-CG 3.49Å; V546-Q550 PolarHBondContact O-N 2.98Å; I547-Q550 WeakPolarHBondContact O-CB 3.29Å; I547-Q550 PolarHBondContact O-N 3.5Å; Q550-M553 PolarHBondContact O-N 3.28Å; Q550-F554 PolarHBondContact O-N 3.48Å; Q550-F554 VanDerWaalsContact O-N 3.1Å
551I97.3Very high96.1Very high4 Ų426.8 Ų26.82%0.02114%0.144CC..Hα-helixtrans-64.6-40.3174.4-69.3164.5000110.9W372 Y375 L376 I547 Q548 M553 F554 L555W372-I551 HydrophobicContact CB-CD1 4.02Å; W372-I551 HydrophobicContact CB-CG1 4.24Å; W372-I551 HydrophobicContact CD2-CD1 4.23Å; W372-I551 HydrophobicContact CD2-CG1 3.5Å; W372-I551 HydrophobicContact CE3-CG1 3.68Å; W372-I551 HydrophobicContact CG-CD1 3.99Å; W372-I551 HydrophobicContact CG-CG1 3.79Å; W372-I551 HydrophobicContact CZ2-CG1 4.48Å; W372-I551 HydrophobicContact CZ3-CG1 4.23Å; Y375-I551 HydrophobicContact CD1-CD1 3.37Å; Y375-I551 HydrophobicContact CE1-CD1 4.18Å; Y375-I551 HydrophobicContact CG-CD1 3.99Å; L376-I551 HydrophobicContact CD2-CD1 4.32Å; L376-I551 HydrophobicContact CD2-CG2 4Å; L376-I551 HydrophobicContact CG-CD1 4.03Å; I547-I551 HydrophobicContact CG2-CD1 3.88Å; I547-I551 WeakPolarHBondContact O-CG1 3.2Å; I547-I551 PolarHBondContact O-N 3.43Å; Q548-I551 PolarHBondContact O-N 3.07Å; I551-M553 VanDerWaalsContact C-N 3.26Å; I551-M553 PolarHBondContact O-N 3.2Å; I551-F554 CarbonylContact O-C 3.56Å; I551-F554 WeakPolarHBondContact O-CA 3.48Å; I551-F554 VanDerWaalsContact O-CB 3.31Å; I551-F554 WeakPolarHBondContact O-CB 3.22Å; I551-F554 PolarHBondContact O-N 3.37Å; I551-L555 HydrophobicContact CG2-CD1 4.08Å; I551-L555 HydrophobicContact CG2-CG 4.09Å; I551-L555 WeakPolarHBondContact O-CG 3.48Å; I551-L555 PolarHBondContact O-N 3.48Å
552G95.7Very high96Very high15 Ų1524 Ų2416%0.15513%0.131CC..Hα-helixtrans-58-38.8176.600000112.5Q548 N549 N556Q548-G552 PolarHBondContact O-N 3.17Å; N549-G552 PolarHBondContact O-N 3.33Å; G552-N556 PolarHBondContact O-N 3.45Å; G552-N556 VanDerWaalsContact O-N 3.16Å; G552-N556 PolarHBondContact O-ND2 3.44Å
553M96.2Very high96Very high5 Ų525.4 Ų25.43%0.02514%0.139CC..Hα-helixtrans-66.4-40.6170.9-80.3-55.4-56.900113.1T338 Q343 I526 N549 Q550 I551 N556 Y557T338-M553 HydrophobicContact CG2-CE 3.57Å; T338-M553 HydrophobicContact CG2-SD 3.3Å; T338-M553 WeakPolarHBondContact CG2-SD 3.5Å; Q343-M553 HydrophobicContact CG-SD 3.91Å; Q343-M553 PolarHBondContact NE2-SD 3.14Å; I526-M553 HydrophobicContact CD1-CB 4.34Å; I526-M553 HydrophobicContact CG1-CB 4.08Å; I526-M553 HydrophobicContact CG2-CB 4.46Å; N549-M553 PolarHBondContact O-N 3.02Å; Q550-M553 PolarHBondContact O-N 3.28Å; I551-M553 VanDerWaalsContact C-N 3.26Å; I551-M553 PolarHBondContact O-N 3.2Å; M553-N556 WeakPolarHBondContact O-CB 3.46Å; M553-N556 PolarHBondContact O-N 3.28Å; M553-Y557 HydrophobicContact CE-CE1 4.3Å; M553-Y557 HydrophobicContact CE-CE2 4.27Å; M553-Y557 WeakPolarHBondContact O-CD2 3.32Å; M553-Y557 PolarHBondContact O-N 3.47Å
554F97.6Very high95.9Very high2 Ų223.6 Ų23.61%0.00913%0.126CC..Hα-helixtrans-59.9-47174164.1-108000112.3I361 W372 A445 V447 I486 I526 Q550 I551 N556 Y557 I558I361-F554 HydrophobicContact CD1-CE1 3.96Å; I361-F554 HydrophobicContact CD1-CZ 3.89Å; I361-F554 HydrophobicContact CG1-CZ 4.19Å; I361-F554 HydrophobicContact CG2-CE1 4.38Å; I361-F554 HydrophobicContact CG2-CZ 3.76Å; W372-F554 HydrophobicContact CH2-CB 3.63Å; W372-F554 HydrophobicContact CH2-CG 4.19Å; W372-F554 HydrophobicContact CZ3-CB 3.58Å; W372-F554 AromaticContact CZ3-CD1 3.98Å; W372-F554 HydrophobicContact CZ3-CD1 3.98Å; W372-F554 HydrophobicContact CZ3-CD2 4.21Å; W372-F554 AromaticContact CZ3-CG 3.66Å; W372-F554 HydrophobicContact CZ3-CG 3.66Å; A445-F554 HydrophobicContact CB-CE2 4.02Å; A445-F554 HydrophobicContact CB-CZ 4.13Å; V447-F554 HydrophobicContact CG2-CD2 3.61Å; V447-F554 HydrophobicContact CG2-CE2 3.37Å; V447-F554 HydrophobicContact CG2-CG 4.5Å; V447-F554 HydrophobicContact CG2-CZ 4.11Å; I486-F554 HydrophobicContact CD1-CD2 4.06Å; I486-F554 HydrophobicContact CD1-CE2 3.95Å; I486-F554 HydrophobicContact CG1-CD2 4.25Å; I526-F554 HydrophobicContact CD1-CB 3.65Å; Q550-F554 PolarHBondContact O-N 3.48Å; Q550-F554 VanDerWaalsContact O-N 3.1Å; I551-F554 CarbonylContact O-C 3.56Å; I551-F554 WeakPolarHBondContact O-CA 3.48Å; I551-F554 VanDerWaalsContact O-CB 3.31Å; I551-F554 WeakPolarHBondContact O-CB 3.22Å; I551-F554 PolarHBondContact O-N 3.37Å; F554-N556 VanDerWaalsContact C-N 3.26Å; F554-N556 PolarHBondContact O-N 3.38Å; F554-Y557 WeakPolarHBondContact O-CB 3.46Å; F554-Y557 PolarHBondContact O-N 3.33Å; F554-I558 HydrophobicContact CD1-CD1 4.31Å; F554-I558 HydrophobicContact CD2-CG2 4.34Å; F554-I558 HydrophobicContact CE1-CD1 3.59Å; F554-I558 HydrophobicContact CE1-CG1 4.45Å; F554-I558 HydrophobicContact CE2-CD1 4.23Å; F554-I558 HydrophobicContact CE2-CG2 3.84Å; F554-I558 HydrophobicContact CZ-CD1 3.55Å; F554-I558 HydrophobicContact CZ-CG1 4.37Å; F554-I558 HydrophobicContact CZ-CG2 4.22Å; F554-I558 PolarHBondContact O-N 3.43Å
555L96.8Very high96Very high2 Ų220.6 Ų20.61%0.0111%0.11CC..Hα-helixtrans-60.4-38178.4-63.7176.4000111.4F346 I352 L356 I551 Y557 I558 C559F346-L555 HydrophobicContact CB-CD1 4.14Å; F346-L555 HydrophobicContact CD1-CB 4.29Å; F346-L555 HydrophobicContact CD1-CD1 3.86Å; F346-L555 HydrophobicContact CD2-CB 3.82Å; F346-L555 HydrophobicContact CD2-CD1 4.16Å; F346-L555 HydrophobicContact CE1-CB 4.01Å; F346-L555 HydrophobicContact CE1-CD1 4.31Å; F346-L555 HydrophobicContact CE2-CB 3.5Å; F346-L555 VanDerWaalsContact CE2-CB 3.5Å; F346-L555 HydrophobicContact CG-CB 4.21Å; F346-L555 HydrophobicContact CG-CD1 3.78Å; F346-L555 HydrophobicContact CZ-CB 3.6Å; I352-L555 HydrophobicContact CB-CD1 4.38Å; I352-L555 HydrophobicContact CG1-CD1 3.9Å; I352-L555 HydrophobicContact CG2-CD1 4.02Å; L356-L555 HydrophobicContact CD2-CD2 3.87Å; L356-L555 HydrophobicContact CG-CD2 4.33Å; I551-L555 HydrophobicContact CG2-CD1 4.08Å; I551-L555 HydrophobicContact CG2-CG 4.09Å; I551-L555 WeakPolarHBondContact O-CG 3.48Å; I551-L555 PolarHBondContact O-N 3.48Å; L555-Y557 PolarHBondContact O-N 3.37Å; L555-Y557 VanDerWaalsContact O-N 3.17Å; L555-I558 HydrophobicContact CD2-CD1 4.22Å; L555-I558 PolarHBondContact O-N 2.88Å; L555-C559 VanDerWaalsContact O-CB 3.32Å; L555-C559 WeakPolarHBondContact O-CB 3.47Å; L555-C559 PolarHBondContact O-N 3.05Å
556N94.9Very high96.1Very high4 Ų416.6 Ų16.62%0.02110%0.096CC..Hα-helixtrans-63-12.8172.9-91.2-83.6000115C318 Q343 I344 F346 G552 M553 F554 C559C318-N556 HydrophobicContact CB-CB 4.08Å; Q343-N556 VanDerWaalsContact CA-OD1 3.3Å; Q343-N556 WeakPolarHBondContact CA-OD1 3.43Å; I344-N556 PolarHBondContact N-OD1 3.44Å; I344-N556 PolarHBondContact O-ND2 3.48Å; F346-N556 WeakPolarHBondContact CE2-ND2 3.5Å; G552-N556 PolarHBondContact O-N 3.45Å; G552-N556 VanDerWaalsContact O-N 3.16Å; G552-N556 PolarHBondContact O-ND2 3.44Å; M553-N556 WeakPolarHBondContact O-CB 3.46Å; M553-N556 PolarHBondContact O-N 3.28Å; F554-N556 VanDerWaalsContact C-N 3.26Å; F554-N556 PolarHBondContact O-N 3.38Å; N556-C559 VanDerWaalsContact O-OXT 3.09Å
557Y96.3Very high96Very high11 Ų1117.9 Ų17.94%0.04310%0.104CC..Hα-helixtrans-99.5-20.6177.2-71.1-34.8000113.6C318 Q319 I320 I486 I525 I526 M553 F554 L555C318-Y557 HydrophobicContact CB-CD1 4.5Å; C318-Y557 HydrophobicContact CB-CE1 4.29Å; Q319-Y557 WeakPolarHBondContact O-CE1 3.47Å; I320-Y557 HydrophobicContact CG2-CD1 4.35Å; I320-Y557 HydrophobicContact CG2-CG 4.11Å; I486-Y557 HydrophobicContact CG1-CD2 4.06Å; I486-Y557 HydrophobicContact CG2-CD2 4.14Å; I486-Y557 HydrophobicContact CG2-CE2 4.44Å; I525-Y557 PolarHBondContact O-OH 3.32Å; I526-Y557 HydrophobicContact CG1-CD2 4.42Å; I526-Y557 HydrophobicContact CG1-CE2 3.98Å; M553-Y557 HydrophobicContact CE-CE1 4.3Å; M553-Y557 HydrophobicContact CE-CE2 4.27Å; M553-Y557 WeakPolarHBondContact O-CD2 3.32Å; M553-Y557 PolarHBondContact O-N 3.47Å; F554-Y557 WeakPolarHBondContact O-CB 3.46Å; F554-Y557 PolarHBondContact O-N 3.33Å; L555-Y557 PolarHBondContact O-N 3.37Å; L555-Y557 VanDerWaalsContact O-N 3.17Å
558I95.8Very high95.9Very high13 Ų1319.3 Ų19.37%0.06711%0.112CC..Hα-helixtrans-109.8-5.2-175.464.1161.1000112.8L356 K359 I361 A445 K484 I486 F554 L555L356-I558 HydrophobicContact CD2-CD1 4.45Å; K359-I558 HydrophobicContact CD-CD1 3.76Å; K359-I558 HydrophobicContact CD-CG1 4.49Å; K359-I558 WeakPolarHBondContact CE-O 3.41Å; K359-I558 PolarHBondContact NZ-O 2.71Å; I361-I558 HydrophobicContact CD1-CD1 4.32Å; A445-I558 HydrophobicContact CB-CG2 3.81Å; K484-I558 HydrophobicContact CB-CG2 4.08Å; K484-I558 HydrophobicContact CG-CG2 4.27Å; I486-I558 HydrophobicContact CD1-CG2 4.14Å; F554-I558 HydrophobicContact CD1-CD1 4.31Å; F554-I558 HydrophobicContact CD2-CG2 4.34Å; F554-I558 HydrophobicContact CE1-CD1 3.59Å; F554-I558 HydrophobicContact CE1-CG1 4.45Å; F554-I558 HydrophobicContact CE2-CD1 4.23Å; F554-I558 HydrophobicContact CE2-CG2 3.84Å; F554-I558 HydrophobicContact CZ-CD1 3.55Å; F554-I558 HydrophobicContact CZ-CG1 4.37Å; F554-I558 HydrophobicContact CZ-CG2 4.22Å; F554-I558 PolarHBondContact O-N 3.43Å; L555-I558 HydrophobicContact CD2-CD1 4.22Å; L555-I558 PolarHBondContact O-N 2.88Å
559C91Very high95.9Very high75 Ų7513.9 Ų13.951%0.5079%0.089SC..  trans-134.70173.7-58.20000105.9F346 C355 L555 N556F346-C559 HydrophobicContact CZ-CB 4.37Å; C355-C559 WeakPolarHBondContact CA-SG 3.49Å; C355-C559 HydrophobicContact CB-CB 4.09Å; C355-C559 WeakPolarHBondContact CB-SG 3.44Å; C355-C559 PolarHBondContact O-SG 3.35Å; C355-C559 VanDerWaalsContact O-SG 3.32Å; C355-C559 WeakPolarHBondContact SG-CB 3.49Å; C355-C559 CovalentContact SG-SG 2.02Å; C355-C559 PolarHBondContact SG-SG 2.83Å; L555-C559 VanDerWaalsContact O-CB 3.32Å; L555-C559 WeakPolarHBondContact O-CB 3.47Å; L555-C559 PolarHBondContact O-N 3.05Å; N556-C559 VanDerWaalsContact O-OXT 3.09Å

Retrieved 559 of 559 residues in 343.6 ms (Link to these results)

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