A0A087WQ70_MOUSE Loading...

Serine (or cysteine) peptidase inhibitor, clade E, member 2

AlphaFold DB , UniProt , Accession A0A087WQ70, Species MOUSE (Mus musculus, Mouse), Gene Serpine2, Length 232 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
1K46.4Very low53.5Low217 Ų21797.9 Ų97.994%0.94348%0.48SS*.  0-54.50-142.1169.8178.3-179.50111.3K3 K4 Q5K1-K3 PolarHBondContact O-N 2.99Å; K1-K4 PolarHBondContact O-N 3.25Å; K1-Q5 PolarHBondContact O-N 3.27Å
2T53.5Low53.5Low97 Ų97105.7 Ų105.760%0.59550%0.503SS*.Hα-helixtrans-54.8-44.4179-34.60000115.1K4 Q5 L6T2-K4 PolarHBondContact O-N 2.66Å; T2-Q5 PolarHBondContact O-N 3.14Å; T2-L6 HydrophobicContact CG2-CD1 4.3Å; T2-L6 PolarHBondContact O-N 3.36Å; T2-L6 VanDerWaalsContact O-N 3.09Å
3K53.7Low53.9Low77 Ų77105.9 Ų105.934%0.33551%0.509SS..Hα-helixtrans-60.5-40.8-178.7-59.4-177.9-180-177.10113.3K1 S7 P24 I27K1-K3 PolarHBondContact O-N 2.99Å; K3-S7 PolarHBondContact O-N 3.35Å; K3-S7 PolarHBondContact O-OG 3.27Å; K3-P24 PolarHBondContact NZ-O 3.16Å; K3-I27 HydrophobicContact CD-CD1 4.33Å; K3-I27 HydrophobicContact CG-CD1 4.09Å
4K54.6Low54.2Low163 Ų16399.8 Ų99.871%0.70948%0.481SS*.Hα-helixtrans-74.4-30-179-157.5177.2-176.8-177.80111.7K1 T2 S7 T8K1-K4 PolarHBondContact O-N 3.25Å; T2-K4 PolarHBondContact O-N 2.66Å; K4-S7 PolarHBondContact O-OG 3.26Å; K4-S7 VanDerWaalsContact O-OG 3.14Å; K4-T8 WeakPolarHBondContact O-CB 3.4Å; K4-T8 PolarHBondContact O-N 3.39Å; K4-T8 PolarHBondContact O-OG1 3.49Å
5Q57.1Low54.5Low118 Ų118102.9 Ų102.955%0.55150%0.501SS*.Hα-helixtrans-72.3-44.7175.8-71.9172.7-45.400111.3K1 T2 S7 T8 V9K1-Q5 PolarHBondContact O-N 3.27Å; T2-Q5 PolarHBondContact O-N 3.14Å; Q5-S7 PolarHBondContact O-N 3.33Å; Q5-T8 PolarHBondContact O-N 3.29Å; Q5-V9 WeakPolarHBondContact O-CG2 3.41Å; Q5-V9 PolarHBondContact O-N 3.27Å
6L54.7Low55Low63 Ų6398.8 Ų98.833%0.3349%0.494SS..Hα-helixtrans-60.9-44176.1-82.7161.1000113.1T2 T8 M10 L22T2-L6 HydrophobicContact CG2-CD1 4.3Å; T2-L6 PolarHBondContact O-N 3.36Å; T2-L6 VanDerWaalsContact O-N 3.09Å; L6-T8 VanDerWaalsContact C-N 3.27Å; L6-T8 PolarHBondContact O-N 3.31Å; L6-M10 WeakPolarHBondContact O-CG 3.3Å; L6-M10 PolarHBondContact O-N 2.84Å; L6-M10 VanDerWaalsContact O-N 3.16Å; L6-L22 HydrophobicContact CB-CD1 4.07Å; L6-L22 HydrophobicContact CD1-CD1 3.98Å
7S54.7Low55.6Low25 Ų2597.8 Ų97.818%0.17549%0.489CS..Hα-helixtrans-66.3-29.7176.6630000112.9K3 K4 Q5 R11K3-S7 PolarHBondContact O-N 3.35Å; K3-S7 PolarHBondContact O-OG 3.27Å; K4-S7 PolarHBondContact O-OG 3.26Å; K4-S7 VanDerWaalsContact O-OG 3.14Å; Q5-S7 PolarHBondContact O-N 3.33Å; S7-R11 WeakPolarHBondContact O-CB 3.47Å; S7-R11 VanDerWaalsContact O-CG 3.25Å; S7-R11 WeakPolarHBondContact O-CG 3.28Å; S7-R11 PolarHBondContact O-N 3.25Å; S7-R11 VanDerWaalsContact O-N 3.17Å
8T55.2Low56Low82 Ų8292.6 Ų92.650%0.50346%0.463SS..Hα-helixtrans-76-44178.4-56.10000111.9K4 Q5 L6 M10 R11 Y12K4-T8 WeakPolarHBondContact O-CB 3.4Å; K4-T8 PolarHBondContact O-N 3.39Å; K4-T8 PolarHBondContact O-OG1 3.49Å; Q5-T8 PolarHBondContact O-N 3.29Å; L6-T8 VanDerWaalsContact C-N 3.27Å; L6-T8 PolarHBondContact O-N 3.31Å; T8-M10 PolarHBondContact O-N 3.26Å; T8-R11 PolarHBondContact O-N 2.99Å; T8-Y12 PolarHBondContact O-N 3.44Å
9V54.6Low56.5Low88 Ų8891.7 Ų91.753%0.53346%0.46SS..Hα-helixtrans-63.9-41.3177.8173.10000111.3Q5 Y12 N13Q5-V9 WeakPolarHBondContact O-CG2 3.41Å; Q5-V9 PolarHBondContact O-N 3.27Å; V9-Y12 WeakPolarHBondContact O-CB 3.22Å; V9-Y12 PolarHBondContact O-N 3.09Å; V9-N13 PolarHBondContact O-N 3.5Å
10M52.4Low56.8Low47 Ų4792 Ų9223%0.23246%0.463CS..Hα-helixtrans-73.1-35.2179.6-69-60.6-169.900113.1L6 T8 Y12 N13 V14 L21 V37L6-M10 WeakPolarHBondContact O-CG 3.3Å; L6-M10 PolarHBondContact O-N 2.84Å; L6-M10 VanDerWaalsContact O-N 3.16Å; T8-M10 PolarHBondContact O-N 3.26Å; M10-Y12 PolarHBondContact O-N 3.4Å; M10-N13 PolarHBondContact O-N 3.01Å; M10-N13 VanDerWaalsContact O-N 3.11Å; M10-V14 VanDerWaalsContact O-CG2 3.24Å; M10-V14 WeakPolarHBondContact O-CG2 3.42Å; M10-V14 PolarHBondContact O-N 2.77Å; M10-V14 VanDerWaalsContact O-N 3.13Å; M10-L21 HydrophobicContact CB-CD1 3.73Å; M10-L21 HydrophobicContact CG-CD1 4.05Å; M10-V37 HydrophobicContact CE-CB 4.18Å
11R51.5Low57Low100 Ų10088 Ų8838%0.37744%0.443SS..Hα-helixtrans-54.7-39.7170.5-89.1175161.2176.2-6.4111.7S7 T8 N15 G16 D19S7-R11 WeakPolarHBondContact O-CB 3.47Å; S7-R11 VanDerWaalsContact O-CG 3.25Å; S7-R11 WeakPolarHBondContact O-CG 3.28Å; S7-R11 PolarHBondContact O-N 3.25Å; S7-R11 VanDerWaalsContact O-N 3.17Å; T8-R11 PolarHBondContact O-N 2.99Å; R11-N15 PolarHBondContact O-N 3.38Å; R11-G16 PolarHBondContact O-N 3.34Å; R11-D19 IonicContact CZ-OD1 3.16Å; R11-D19 IonicContact NE-OD1 2.72Å; R11-D19 PolarHBondContact NE-OD1 2.75Å; R11-D19 VanDerWaalsContact NH2-CG 3.35Å; R11-D19 IonicContact NH2-OD1 2.75Å; R11-D19 PolarHBondContact NH2-OD1 2.72Å; R11-D19 IonicContact NH2-OD2 3.85Å
12Y53.9Low57.8Low191 Ų19178.7 Ų78.775%0.74940%0.403SS*.Hα-helixtrans-64.6-45.2176-172.5-96.1000111.9T8 V9 M10 V14 N15T8-Y12 PolarHBondContact O-N 3.44Å; V9-Y12 WeakPolarHBondContact O-CB 3.22Å; V9-Y12 PolarHBondContact O-N 3.09Å; M10-Y12 PolarHBondContact O-N 3.4Å; Y12-V14 VanDerWaalsContact C-N 3.29Å; Y12-V14 PolarHBondContact O-N 3.19Å; Y12-N15 PolarHBondContact O-N 3.36Å
13N58.5Low58.2Low109 Ų10977 Ų7758%0.58340%0.395SS*.Hα-helixtrans-70.6-18.7-176.9-69-19.2000115V9 M10V9-N13 PolarHBondContact O-N 3.5Å; M10-N13 PolarHBondContact O-N 3.01Å; M10-N13 VanDerWaalsContact O-N 3.11Å
14V58.1Low58.3Low20 Ų2077.8 Ų77.812%0.12141%0.408CS..THydrogen-bonded Turntrans-113.421.4175.7-600000112.8M10 Y12 G16 M17 I18 A39M10-V14 VanDerWaalsContact O-CG2 3.24Å; M10-V14 WeakPolarHBondContact O-CG2 3.42Å; M10-V14 PolarHBondContact O-N 2.77Å; M10-V14 VanDerWaalsContact O-N 3.13Å; Y12-V14 VanDerWaalsContact C-N 3.29Å; Y12-V14 PolarHBondContact O-N 3.19Å; V14-G16 PolarHBondContact O-N 2.77Å; V14-M17 WeakPolarHBondContact O-CB 3.44Å; V14-M17 PolarHBondContact O-N 3.29Å; V14-I18 HydrophobicContact CG1-CD1 4.48Å; V14-I18 HydrophobicContact CG2-CB 3.85Å; V14-I18 HydrophobicContact CG2-CG1 4.44Å; V14-A39 HydrophobicContact CG1-CB 3.99Å
15N58.9Low58.6Low146 Ų14677.4 Ų77.478%0.78141%0.414SS*.THydrogen-bonded Turntrans48.735-178.8-67.8-16.3000113.9R11 Y12 M17R11-N15 PolarHBondContact O-N 3.38Å; Y12-N15 PolarHBondContact O-N 3.36Å; N15-M17 VanDerWaalsContact C-N 3.28Å; N15-M17 PolarHBondContact O-N 3.22Å
16G61.5Low58.9Low38 Ų3874.9 Ų74.939%0.39240%0.404SS..THydrogen-bonded Turntrans76.44.3179.200000115.6R11 V14 I18R11-G16 PolarHBondContact O-N 3.34Å; V14-G16 PolarHBondContact O-N 2.77Å; G16-I18 VanDerWaalsContact C-N 3.34Å; G16-I18 PolarHBondContact O-N 3.06Å
17M65.2Low59.4Low81 Ų8172.9 Ų72.940%0.39939%0.393SS..  trans-78.5-18-172.3-66.3-68.9-174.100114.4V14 N15 Y41 K196V14-M17 WeakPolarHBondContact O-CB 3.44Å; V14-M17 PolarHBondContact O-N 3.29Å; N15-M17 VanDerWaalsContact C-N 3.28Å; N15-M17 PolarHBondContact O-N 3.22Å; M17-Y41 HydrophobicContact CB-CD1 3.6Å; M17-Y41 HydrophobicContact CB-CD2 3.86Å; M17-Y41 HydrophobicContact CB-CE1 3.83Å; M17-Y41 HydrophobicContact CB-CE2 4.08Å; M17-Y41 HydrophobicContact CB-CG 3.59Å; M17-Y41 HydrophobicContact CE-CE1 4.26Å; M17-Y41 HydrophobicContact CG-CD1 3.62Å; M17-Y41 HydrophobicContact CG-CE1 3.46Å; M17-Y41 VanDerWaalsContact CG-CE1 3.46Å; M17-Y41 HydrophobicContact CG-CE2 4.4Å; M17-Y41 HydrophobicContact CG-CG 4.16Å; M17-Y41 HydrophobicContact SD-CE1 3.97Å; M17-K196 VanDerWaalsContact O-CD 3.29Å; M17-K196 WeakPolarHBondContact O-CD 3.25Å; M17-K196 PolarHBondContact O-NZ 3.14Å
18I62.9Low59.9Low5 Ų576.9 Ų76.93%0.02641%0.413CS..SBendtrans-122.1110.2176.2-62.1177.4000108.2V14 G16 L21 A39 V40 K194 K196V14-I18 HydrophobicContact CG1-CD1 4.48Å; V14-I18 HydrophobicContact CG2-CB 3.85Å; V14-I18 HydrophobicContact CG2-CG1 4.44Å; G16-I18 VanDerWaalsContact C-N 3.34Å; G16-I18 PolarHBondContact O-N 3.06Å; I18-L21 HydrophobicContact CG2-CD2 4.26Å; I18-L21 HydrophobicContact CG2-CG 4.19Å; I18-A39 HydrophobicContact CD1-CB 4.11Å; I18-V40 WeakPolarHBondContact CD1-O 3.36Å; I18-K194 HydrophobicContact CG2-CB 4.47Å; I18-K194 HydrophobicContact CG2-CD 3.53Å; I18-K194 HydrophobicContact CG2-CG 3.98Å; I18-K196 HydrophobicContact CD1-CB 4.28Å; I18-K196 HydrophobicContact CG1-CB 4.13Å
19D65.7Low60.5Low76 Ų7676 Ų7641%0.40642%0.419SS..  trans-93.6149.7174.6-74.3-42.4000111.8R11 K194R11-D19 IonicContact CZ-OD1 3.16Å; R11-D19 IonicContact NE-OD1 2.72Å; R11-D19 PolarHBondContact NE-OD1 2.75Å; R11-D19 VanDerWaalsContact NH2-CG 3.35Å; R11-D19 IonicContact NH2-OD1 2.75Å; R11-D19 PolarHBondContact NH2-OD1 2.72Å; R11-D19 IonicContact NH2-OD2 3.85Å; D19-K194 PolarHBondContact O-NZ 3.3Å
20N62.5Low61Low96 Ų9675.9 Ų75.951%0.51343%0.428SS..  trans48.573164.8-61.6-26.1000114.4L22 K194N20-L22 VanDerWaalsContact C-N 3.35Å; N20-K194 PolarHBondContact O-NZ 3.17Å
21L61.9Low62Low8 Ų879.5 Ų79.54%0.04245%0.448CS..SBendtrans-70.6-31.4172-76.7150.9000112.8M10 I18 V37 A39 Q154 K194M10-L21 HydrophobicContact CB-CD1 3.73Å; M10-L21 HydrophobicContact CG-CD1 4.05Å; I18-L21 HydrophobicContact CG2-CD2 4.26Å; I18-L21 HydrophobicContact CG2-CG 4.19Å; L21-V37 HydrophobicContact CB-CG1 4.17Å; L21-V37 HydrophobicContact CD1-CG1 3.84Å; L21-V37 HydrophobicContact CD2-CG1 3.83Å; L21-V37 HydrophobicContact CG-CG1 4.17Å; L21-A39 HydrophobicContact CD1-CB 4.05Å; L21-A39 HydrophobicContact CD2-CB 4.21Å; L21-Q154 PolarHBondContact O-NE2 3.13Å; L21-Q154 VanDerWaalsContact O-NE2 3.12Å; L21-Q154 PolarHBondContact O-OE1 3.11Å; L21-K194 HydrophobicContact CD2-CB 3.24Å; L21-K194 HydrophobicContact CD2-CD 3.53Å; L21-K194 HydrophobicContact CD2-CG 4Å; L21-K194 HydrophobicContact CG-CD 4.14Å
22L62.8Low63.3Low23 Ų2376.1 Ų76.112%0.1244%0.438CS..SBendtrans-116.8105.2-174.5-64.9169000109L6 N20 I27 V35 L192L6-L22 HydrophobicContact CB-CD1 4.07Å; L6-L22 HydrophobicContact CD1-CD1 3.98Å; N20-L22 VanDerWaalsContact C-N 3.35Å; L22-I27 HydrophobicContact CB-CD1 4.23Å; L22-I27 HydrophobicContact CD1-CD1 4.02Å; L22-I27 HydrophobicContact CD2-CD1 3.98Å; L22-I27 HydrophobicContact CD2-CG1 4.37Å; L22-I27 HydrophobicContact CG-CD1 4.29Å; L22-V35 HydrophobicContact CD2-CG1 4.24Å; L22-L192 HydrophobicContact CD2-CD1 3.37Å
23S61.6Low64.6Low61 Ų6172.9 Ų72.943%0.42743%0.425SS..  trans-68.4142.7167.5-56.80000109.2N25 L26S23-N25 PolarHBondContact O-N 3.16Å; S23-L26 WeakPolarHBondContact O-CB 3.24Å; S23-L26 PolarHBondContact O-N 3.14Å
24P56.3Low65.8Low93 Ų9369.5 Ų69.560%0.60441%0.406SS*.G310 helixtrans-52.5-30.5-179.6-27.434.3000113.8K3K3-P24 PolarHBondContact NZ-O 3.16Å
25N60.3Low67Low156 Ų15670 Ų7083%0.83441%0.41SS*.G310 helixtrans-85.8-6.5-176.5-55.9-7000114.1S23S23-N25 PolarHBondContact O-N 3.16Å
26L62.7Low68.2Low64 Ų6466.3 Ų66.334%0.33539%0.389SS..G310 helixtrans-87.6-10.1-174.8-16073.8000113.2S23 H190 L192S23-L26 WeakPolarHBondContact O-CB 3.24Å; S23-L26 PolarHBondContact O-N 3.14Å; L26-H190 PolarHBondContact O-CE1 2.84Å; L26-H190 PolarHBondContact O-NE2 3.33Å; L26-L192 HydrophobicContact CD2-CD1 3.49Å; L26-L192 VanDerWaalsContact CD2-CD1 3.49Å; L26-L192 HydrophobicContact CD2-CD2 4.04Å; L26-L192 HydrophobicContact CD2-CG 4.42Å
27I66.6Low69.1Low21 Ų2165.9 Ų65.911%0.10838%0.379CS..SBendtrans-120.9116.6-174.9-66.4167.2000108.5K3 L22 G29 T32K3-I27 HydrophobicContact CD-CD1 4.33Å; K3-I27 HydrophobicContact CG-CD1 4.09Å; L22-I27 HydrophobicContact CB-CD1 4.23Å; L22-I27 HydrophobicContact CD1-CD1 4.02Å; L22-I27 HydrophobicContact CD2-CD1 3.98Å; L22-I27 HydrophobicContact CD2-CG1 4.37Å; L22-I27 HydrophobicContact CG-CD1 4.29Å; I27-G29 PolarHBondContact O-N 2.99Å; I27-T32 HydrophobicContact CG2-CG2 3.99Å; I27-T32 VanDerWaalsContact CG2-OG1 3.24Å; I27-T32 WeakPolarHBondContact CG2-OG1 3.47Å
28D64.8Low69.9Low110 Ų11065.8 Ų65.859%0.58838%0.38SS*.  trans-66.996.7167.8-77.1-33.4000109.3A30 L31 T32D28-A30 PolarHBondContact O-N 3.28Å; D28-A30 VanDerWaalsContact O-N 3.16Å; D28-L31 HydrophobicContact CB-CB 4.26Å; D28-L31 PolarHBondContact O-N 3.28Å; D28-L31 VanDerWaalsContact O-N 3.14Å; D28-T32 WeakPolarHBondContact O-CB 3.4Å; D28-T32 PolarHBondContact O-N 3.35Å; D28-T32 PolarHBondContact O-OG1 3.44Å
29G66.8Low70.7Confident62 Ų6266.6 Ų66.664%0.63939%0.388SS*.THydrogen-bonded Turntrans-50.9-45.1-160.600000115.9I27I27-G29 PolarHBondContact O-N 2.99Å
30A66.5Low71.4Confident86 Ų8666.1 Ų66.171%0.71139%0.387SS*.THydrogen-bonded Turntrans-91.5-18.9-17700000114.1D28 R33D28-A30 PolarHBondContact O-N 3.28Å; D28-A30 VanDerWaalsContact O-N 3.16Å; A30-R33 PolarHBondContact O-NH1 3.45Å
31L72.5Confident72.4Confident123 Ų12364.2 Ų64.264%0.64437%0.373SS*.THydrogen-bonded Turntrans-99-18.9-175.1-65.3174.3000112.9D28 R33D28-L31 HydrophobicContact CB-CB 4.26Å; D28-L31 PolarHBondContact O-N 3.28Å; D28-L31 VanDerWaalsContact O-N 3.14Å; L31-R33 PolarHBondContact O-N 2.77Å
32T79.3Confident73.4Confident30 Ų3066.9 Ų66.918%0.18439%0.385CS..  trans-65.2124.9177-62.20000110.5I27 D28 V35 S189I27-T32 HydrophobicContact CG2-CG2 3.99Å; I27-T32 VanDerWaalsContact CG2-OG1 3.24Å; I27-T32 WeakPolarHBondContact CG2-OG1 3.47Å; D28-T32 WeakPolarHBondContact O-CB 3.4Å; D28-T32 PolarHBondContact O-N 3.35Å; D28-T32 PolarHBondContact O-OG1 3.44Å; T32-V35 HydrophobicContact CG2-CG2 3.37Å; T32-S189 WeakPolarHBondContact CA-OG 3.5Å
33R82.3Confident74.4Confident122 Ų12269.5 Ų69.546%0.4640%0.395SS..  trans-109.3-48178.5-67.3-66.9178.5-90.40.8112A30 L31 L186 S189A30-R33 PolarHBondContact O-NH1 3.45Å; L31-R33 PolarHBondContact O-N 2.77Å; R33-L186 HydrophobicContact CB-CD2 4.28Å; R33-S189 PolarHBondContact N-OG 3.03Å
34L83.8Confident75.3Confident38 Ų3867.3 Ų67.320%0.19938%0.382CS..EExtended strand (participates in β ladder)trans-138.8132.5179.3-173.861.1000110.9L36 F177 I180 H187 V188 S189 H190L34-L36 HydrophobicContact CG-CD2 4.45Å; L34-F177 HydrophobicContact CD2-CE1 4.41Å; L34-F177 HydrophobicContact CD2-CZ 4.44Å; L34-I180 HydrophobicContact CD2-CD1 4.37Å; L34-H187 VanDerWaalsContact CB-O 3.3Å; L34-H187 WeakPolarHBondContact CB-O 3.3Å; L34-H187 PolarHBondContact N-O 2.98Å; L34-V188 HydrophobicContact CD2-CG2 3.79Å; L34-V188 HydrophobicContact CG-CG2 4.25Å; L34-S189 PolarHBondContact O-N 3.38Å; L34-H190 PolarHBondContact O-N 2.86Å
35V83.3Confident76.9Confident32 Ų3267 Ų6719%0.19438%0.375CS..EExtended strand (participates in β ladder)trans-124.6122.8176179.50000108.6L22 T32 V37 H190L22-V35 HydrophobicContact CD2-CG1 4.24Å; T32-V35 HydrophobicContact CG2-CG2 3.37Å; V35-V37 HydrophobicContact CG1-CG2 3.78Å; V35-H190 WeakPolarHBondContact CA-O 3.38Å; V35-H190 HydrophobicContact CG1-CB 4.17Å; V35-H190 HydrophobicContact CG2-CB 4.32Å
36L83.8Confident78.5Confident67 Ų6759.8 Ų59.835%0.35134%0.336SS..EExtended strand (participates in β ladder)trans-100.4131174.7-60.4177.6000108.7L34 M169 V188 H190 I191 L192L34-L36 HydrophobicContact CG-CD2 4.45Å; L36-M169 HydrophobicContact CD1-CE 4.2Å; L36-V188 HydrophobicContact CD1-CG1 4.32Å; L36-V188 HydrophobicContact CD1-CG2 3.94Å; L36-V188 HydrophobicContact CG-CG1 4.47Å; L36-V188 HydrophobicContact CG-CG2 4.35Å; L36-H190 PolarHBondContact N-O 2.85Å; L36-I191 HydrophobicContact CB-CB 4.22Å; L36-I191 HydrophobicContact CB-CD1 4.29Å; L36-I191 HydrophobicContact CB-CG1 3.98Å; L36-I191 HydrophobicContact CD1-CD1 4.09Å; L36-I191 CarbonylContact O-C 3.57Å; L36-I191 WeakPolarHBondContact O-CA 3.36Å; L36-L192 PolarHBondContact O-N 3.27Å
37V80.8Confident79.8Confident30 Ų3060.7 Ų60.718%0.18234%0.337CS..EExtended strand (participates in β ladder)trans-132.1125.2-179.2-173.70000109.5M10 L21 V35 L192M10-V37 HydrophobicContact CE-CB 4.18Å; L21-V37 HydrophobicContact CB-CG1 4.17Å; L21-V37 HydrophobicContact CD1-CG1 3.84Å; L21-V37 HydrophobicContact CD2-CG1 3.83Å; L21-V37 HydrophobicContact CG-CG1 4.17Å; V35-V37 HydrophobicContact CG1-CG2 3.78Å; V37-L192 CarbonylContact C-O 3.54Å; V37-L192 WeakPolarHBondContact CA-O 3.28Å
38N81.3Confident80.8Confident79 Ų7960.6 Ų60.642%0.42234%0.339SS..EExtended strand (participates in β ladder)trans-114.2133.6170-176.721.1000109.4L192 Q193 K194N38-L192 PolarHBondContact N-O 2.88Å; N38-Q193 HydrophobicContact CB-CG 4.29Å; N38-Q193 CarbonylContact O-C 3.55Å; N38-Q193 VanDerWaalsContact O-CA 3.3Å; N38-Q193 WeakPolarHBondContact O-CA 3.28Å; N38-K194 PolarHBondContact O-N 3Å
39A78.9Confident82Confident21 Ų2159.8 Ų59.817%0.17433%0.327CS..EExtended strand (participates in β ladder)trans-132.2125.8178.600000109.9V14 I18 L21 K194V14-A39 HydrophobicContact CG1-CB 3.99Å; I18-A39 HydrophobicContact CD1-CB 4.11Å; L21-A39 HydrophobicContact CD1-CB 4.05Å; L21-A39 HydrophobicContact CD2-CB 4.21Å; A39-K194 CarbonylContact C-O 3.45Å; A39-K194 VanDerWaalsContact CA-O 3.29Å; A39-K194 WeakPolarHBondContact CA-O 3.42Å
40V81.9Confident83.3Confident66 Ų6656.9 Ų56.940%0.430%0.297SS..EExtended strand (participates in β ladder)trans-126.1118.4-178-176.60000109.1I18 K194 A195 K196I18-V40 WeakPolarHBondContact CD1-O 3.36Å; V40-K194 PolarHBondContact N-O 2.76Å; V40-A195 CarbonylContact O-C 3.52Å; V40-A195 VanDerWaalsContact O-CA 3.27Å; V40-A195 WeakPolarHBondContact O-CA 3.29Å; V40-K196 PolarHBondContact O-N 3.15Å
41Y82.1Confident84.5Confident56 Ų5655.9 Ų55.922%0.2228%0.278CS..EExtended strand (participates in β ladder)trans-113.8130.7170.7173.3-112.6000109.4M17 K43 K196 E198M17-Y41 HydrophobicContact CB-CD1 3.6Å; M17-Y41 HydrophobicContact CB-CD2 3.86Å; M17-Y41 HydrophobicContact CB-CE1 3.83Å; M17-Y41 HydrophobicContact CB-CE2 4.08Å; M17-Y41 HydrophobicContact CB-CG 3.59Å; M17-Y41 HydrophobicContact CE-CE1 4.26Å; M17-Y41 HydrophobicContact CG-CD1 3.62Å; M17-Y41 HydrophobicContact CG-CE1 3.46Å; M17-Y41 VanDerWaalsContact CG-CE1 3.46Å; M17-Y41 HydrophobicContact CG-CE2 4.4Å; M17-Y41 HydrophobicContact CG-CG 4.16Å; M17-Y41 HydrophobicContact SD-CE1 3.97Å; Y41-K43 HydrophobicContact CE1-CB 4Å; Y41-K43 HydrophobicContact CE2-CB 4.38Å; Y41-K43 VanDerWaalsContact OH-CB 3.29Å; Y41-K43 WeakPolarHBondContact OH-CB 3.37Å; Y41-K43 WeakPolarHBondContact OH-CD 3.38Å; Y41-K196 WeakPolarHBondContact CA-O 3.48Å; Y41-K196 HydrophobicContact CD2-CB 3.93Å; Y41-K196 HydrophobicContact CD2-CD 3.75Å; Y41-K196 HydrophobicContact CD2-CG 3.68Å; Y41-K196 HydrophobicContact CE2-CD 3.88Å; Y41-K196 HydrophobicContact CE2-CG 3.95Å; Y41-E198 PolarHBondContact OH-OE2 2.86Å
42F82.6Confident85.4Confident65 Ų6552.7 Ų52.729%0.28526%0.264SS..EExtended strand (participates in β ladder)trans-133.2120.5175.8-174-96.9000111.3Y99 I104 K196 I197 E198F42-Y99 HydrophobicContact CE1-CD1 4.48Å; F42-Y99 HydrophobicContact CE1-CD2 4.23Å; F42-Y99 AromaticContact CE1-CE1 3.89Å; F42-Y99 HydrophobicContact CE1-CE1 3.89Å; F42-Y99 AromaticContact CE1-CE2 3.61Å; F42-Y99 HydrophobicContact CE1-CE2 3.61Å; F42-Y99 AromaticContact CE1-CZ 3.43Å; F42-Y99 VanDerWaalsContact CE1-CZ 3.43Å; F42-Y99 HydrophobicContact CZ-CD1 4.43Å; F42-Y99 AromaticContact CZ-CD2 3.97Å; F42-Y99 HydrophobicContact CZ-CD2 3.97Å; F42-Y99 HydrophobicContact CZ-CE1 4.29Å; F42-Y99 AromaticContact CZ-CE2 3.81Å; F42-Y99 HydrophobicContact CZ-CE2 3.81Å; F42-Y99 HydrophobicContact CZ-CG 4.28Å; F42-Y99 AromaticContact CZ-CZ 3.99Å; F42-I104 HydrophobicContact CE2-CD1 3.96Å; F42-I104 HydrophobicContact CE2-CG2 4.35Å; F42-I104 HydrophobicContact CZ-CD1 4.45Å; F42-I104 HydrophobicContact CZ-CG2 3.98Å; F42-K196 PolarHBondContact N-O 2.98Å; F42-I197 HydrophobicContact CD1-CD1 4.31Å; F42-I197 HydrophobicContact CD1-CG1 4.38Å; F42-I197 WeakPolarHBondContact O-CA 3.24Å; F42-E198 PolarHBondContact O-N 3.5Å
43K83.9Confident86Confident78 Ų7858.1 Ų58.134%0.33929%0.288SS..  trans-135.1100.1166.3178.7176.2178.4162.60107.5Y41 E198 D202Y41-K43 HydrophobicContact CE1-CB 4Å; Y41-K43 HydrophobicContact CE2-CB 4.38Å; Y41-K43 VanDerWaalsContact OH-CB 3.29Å; Y41-K43 WeakPolarHBondContact OH-CB 3.37Å; Y41-K43 WeakPolarHBondContact OH-CD 3.38Å; K43-E198 HydrophobicContact CB-CB 4.44Å; K43-E198 HydrophobicContact CD-CB 4.46Å; K43-E198 HydrophobicContact CD-CG 4.45Å; K43-E198 WeakPolarHBondContact CE-OE1 3.5Å; K43-E198 HydrophobicContact CG-CB 4.41Å; K43-E198 IonicContact NZ-OE1 2.76Å; K43-E198 PolarHBondContact NZ-OE1 2.91Å; K43-D202 WeakPolarHBondContact CE-OD2 3.49Å; K43-D202 IonicContact NZ-OD2 2.79Å; K43-D202 PolarHBondContact NZ-OD2 2.72Å
44G81.9Confident86.6Confident15 Ų1554.7 Ų54.716%0.15528%0.282CS..PPolyproline II helixtrans-94.2150.7176.600000111.5
45L90Very high87.2Confident85 Ų8554.3 Ų54.345%0.44528%0.281SS..PPolyproline II helixtrans-84.8128.5168.3-64.3178.7000109Y99 H100 D202 T204L45-Y99 CarbonylContact O-C 3.49Å; L45-Y99 WeakPolarHBondContact O-CA 3.45Å; L45-Y99 WeakPolarHBondContact O-CB 3.21Å; L45-H100 HydrophobicContact CB-CB 4.35Å; L45-H100 PolarHBondContact O-N 3.34Å; L45-D202 HydrophobicContact CD2-CB 3.72Å; L45-T204 HydrophobicContact CB-CG2 3.98Å; L45-T204 HydrophobicContact CD1-CG2 3.8Å
46W92.8Very high87.8Confident5 Ų559 Ų592%0.01930%0.299CS..EExtended strand (participates in β ladder)trans-60.4146.8175.1-58.9114.8000111.9S48 F50 L97 Y99 M106 V199 S200 D202 G203 T204W46-S48 VanDerWaalsContact C-N 3.28Å; W46-S48 WeakPolarHBondContact CB-O 3.33Å; W46-F50 AromaticContact CD1-CD2 3.66Å; W46-F50 AromaticContact CD1-CE2 3.81Å; W46-F50 HydrophobicContact CD2-CE2 4.28Å; W46-F50 AromaticContact CE2-CE2 3.96Å; W46-F50 HydrophobicContact CG-CD2 4.35Å; W46-F50 HydrophobicContact CG-CE2 4.21Å; W46-F50 AromaticContact NE1-CD2 3.76Å; W46-F50 AromaticContact NE1-CE2 3.62Å; W46-L97 HydrophobicContact CE3-CB 4.1Å; W46-L97 HydrophobicContact CE3-CD2 4.48Å; W46-L97 HydrophobicContact CH2-CB 4.34Å; W46-L97 HydrophobicContact CH2-CD2 4.03Å; W46-L97 HydrophobicContact CZ3-CB 3.61Å; W46-L97 HydrophobicContact CZ3-CD2 4Å; W46-Y99 HydrophobicContact CD2-CD1 4.3Å; W46-Y99 HydrophobicContact CD2-CE1 4.02Å; W46-Y99 AromaticContact CE3-CD1 3.74Å; W46-Y99 HydrophobicContact CE3-CD1 3.74Å; W46-Y99 AromaticContact CE3-CE1 3.53Å; W46-Y99 HydrophobicContact CE3-CE1 3.53Å; W46-Y99 HydrophobicContact CE3-CG 4.39Å; W46-Y99 AromaticContact CH2-CE1 3.62Å; W46-Y99 HydrophobicContact CH2-CE1 3.62Å; W46-Y99 HydrophobicContact CH2-CE2 4.43Å; W46-Y99 AromaticContact CH2-CZ 3.5Å; W46-Y99 VanDerWaalsContact CH2-CZ 3.5Å; W46-Y99 WeakPolarHBondContact CH2-OH 3.29Å; W46-Y99 HydrophobicContact CZ2-CE1 4.09Å; W46-Y99 AromaticContact CZ3-CD1 3.92Å; W46-Y99 HydrophobicContact CZ3-CD1 3.92Å; W46-Y99 HydrophobicContact CZ3-CD2 4.45Å; W46-Y99 AromaticContact CZ3-CE1 3.32Å; W46-Y99 HydrophobicContact CZ3-CE1 3.32Å; W46-Y99 AromaticContact CZ3-CE2 3.92Å; W46-Y99 HydrophobicContact CZ3-CE2 3.92Å; W46-Y99 HydrophobicContact CZ3-CG 4.45Å; W46-Y99 AromaticContact CZ3-CZ 3.3Å; W46-M106 HydrophobicContact CH2-CB 3.97Å; W46-M106 HydrophobicContact CH2-CE 4.1Å; W46-M106 HydrophobicContact CH2-SD 3.85Å; W46-M106 HydrophobicContact CZ3-CB 3.98Å; W46-V199 HydrophobicContact CZ2-CG1 4.22Å; W46-S200 PolarHBondContact NE1-O 3.02Å; W46-D202 PolarHBondContact N-O 2.76Å; W46-G203 CarbonylContact O-C 3.58Å; W46-G203 VanDerWaalsContact O-CA 3.23Å; W46-G203 WeakPolarHBondContact O-CA 3.48Å; W46-T204 PolarHBondContact O-N 2.73Å; W46-T204 PolarHBondContact O-OG1 3.45Å
47K89.8Confident88.5Confident83 Ų8363.6 Ų63.636%0.36132%0.316SS..EExtended strand (participates in β ladder)trans-60.5-43.9167.4180177.6177.3173.10110.1P98 E102K47-P98 HydrophobicContact CB-CB 4.26Å; K47-P98 HydrophobicContact CB-CG 4.1Å; K47-P98 VanDerWaalsContact CB-O 3.3Å; K47-P98 WeakPolarHBondContact CB-O 3.3Å; K47-P98 HydrophobicContact CD-CB 4.24Å; K47-P98 HydrophobicContact CD-CG 3.95Å; K47-P98 PolarHBondContact N-O 2.68Å; K47-E102 HydrophobicContact CD-CG 4.03Å; K47-E102 WeakPolarHBondContact CE-OE1 3.43Å; K47-E102 IonicContact NZ-OE1 2.73Å; K47-E102 PolarHBondContact NZ-OE1 3.15Å; K47-E102 IonicContact NZ-OE2 3.07Å; K47-E102 PolarHBondContact NZ-OE2 2.82Å
48S89.1Confident89.3Confident20 Ų2065.3 Ų65.314%0.1432%0.319CS..EExtended strand (participates in β ladder)trans-112.9108.2173177.30000109.2W46 Q75 K205 S207W46-S48 VanDerWaalsContact C-N 3.28Å; W46-S48 WeakPolarHBondContact CB-O 3.33Å; S48-Q75 PolarHBondContact O-OE1 3.12Å; S48-Q75 PolarHBondContact OG-OE1 3.27Å; S48-K205 WeakPolarHBondContact CA-O 3.46Å; S48-S207 WeakPolarHBondContact OG-CB 3.41Å
49R89.8Confident90.1Very high93 Ų9364.6 Ų64.635%0.35132%0.318SS..PPolyproline II helixtrans-65.6150.5-179.971.8-178.3-81.9-172.4-7111.4K205 A206R49-K205 WeakPolarHBondContact CG-O 3.46Å; R49-K205 PolarHBondContact N-O 3.41Å; R49-A206 HydrophobicContact CG-CB 4.34Å
50F92.8Very high91Very high0 Ų065.3 Ų65.30%032%0.318CS..PPolyproline II helixtrans-82.3149.8164.2-61.6-99.3000109.3W46 L73 Q75 L97 L144 L146 E201W46-F50 AromaticContact CD1-CD2 3.66Å; W46-F50 AromaticContact CD1-CE2 3.81Å; W46-F50 HydrophobicContact CD2-CE2 4.28Å; W46-F50 AromaticContact CE2-CE2 3.96Å; W46-F50 HydrophobicContact CG-CD2 4.35Å; W46-F50 HydrophobicContact CG-CE2 4.21Å; W46-F50 AromaticContact NE1-CD2 3.76Å; W46-F50 AromaticContact NE1-CE2 3.62Å; F50-L73 HydrophobicContact CB-CB 4.41Å; F50-L73 HydrophobicContact CD1-CB 3.53Å; F50-L73 HydrophobicContact CD2-CB 4.41Å; F50-L73 HydrophobicContact CD2-CD1 3.98Å; F50-L73 HydrophobicContact CE1-CB 3.68Å; F50-L73 HydrophobicContact CE2-CD1 4.01Å; F50-L73 HydrophobicContact CG-CB 3.89Å; F50-L73 HydrophobicContact CG-CD1 4.25Å; F50-L73 HydrophobicContact CZ-CB 4.21Å; F50-L73 HydrophobicContact CZ-CD1 4.28Å; F50-Q75 HydrophobicContact CD1-CB 3.8Å; F50-Q75 HydrophobicContact CD1-CG 3.63Å; F50-Q75 HydrophobicContact CE1-CB 4.17Å; F50-Q75 HydrophobicContact CE1-CG 3.51Å; F50-Q75 VanDerWaalsContact CE2-NE2 3.27Å; F50-Q75 HydrophobicContact CG-CG 4.49Å; F50-Q75 HydrophobicContact CZ-CG 4.25Å; F50-L97 HydrophobicContact CZ-CD2 4.25Å; F50-L144 HydrophobicContact CE1-CD2 4.34Å; F50-L144 HydrophobicContact CZ-CD2 4.1Å; F50-L146 HydrophobicContact CZ-CD2 4.36Å; F50-E201 HydrophobicContact CB-CB 4.21Å; F50-E201 HydrophobicContact CB-CG 4.2Å; F50-E201 PolarHBondContact N-O 2.86Å; F50-E201 VanDerWaalsContact N-O 3.15Å
51Q91.4Very high91.8Very high66 Ų6665 Ų6531%0.30832%0.316SS..PPolyproline II helixtrans-89.3121.4174.4-63.2-60.7-6.200108.7E53 S54 T55Q51-E53 WeakPolarHBondContact CB-OE2 3.47Å; Q51-E53 PolarHBondContact O-N 2.92Å; Q51-E53 VanDerWaalsContact O-N 3.12Å; Q51-S54 WeakPolarHBondContact O-CA 3.25Å; Q51-S54 WeakPolarHBondContact O-CB 3.35Å; Q51-S54 PolarHBondContact O-N 2.87Å; Q51-T55 PolarHBondContact O-N 2.85Å
52P92.4Very high92.4Very high56 Ų5663.5 Ų63.536%0.36431%0.314SS..G310 helixtrans-53.7-31.4179.2-26.534.9000113.9S54 T55 E201P52-S54 PolarHBondContact O-N 2.99Å; P52-T55 VanDerWaalsContact O-CB 3.31Å; P52-T55 WeakPolarHBondContact O-CB 3.44Å; P52-T55 PolarHBondContact O-N 2.77Å; P52-E201 HydrophobicContact CB-CG 4.36Å; P52-E201 HydrophobicContact CG-CB 4.26Å; P52-E201 HydrophobicContact CG-CG 4.11Å
53E92.5Very high92.7Very high144 Ų14463.9 Ų63.967%0.67334%0.337SS*.G310 helixtrans-67.8-22.6177.9-53.672.3-153.700112Q51Q51-E53 WeakPolarHBondContact CB-OE2 3.47Å; Q51-E53 PolarHBondContact O-N 2.92Å; Q51-E53 VanDerWaalsContact O-N 3.12Å
54S93.6Very high93.1Very high49 Ų4964.6 Ų64.634%0.34334%0.344SS..G310 helixtrans-87.6-11175-60.80000112.9Q51 P52 K56 A74Q51-S54 WeakPolarHBondContact O-CA 3.25Å; Q51-S54 WeakPolarHBondContact O-CB 3.35Å; Q51-S54 PolarHBondContact O-N 2.87Å; P52-S54 PolarHBondContact O-N 2.99Å; S54-K56 PolarHBondContact O-N 2.88Å; S54-A74 WeakPolarHBondContact CB-O 3.13Å
55T95.9Very high93.6Very high30 Ų3066.4 Ų66.418%0.18436%0.363CS..  trans-71.8116.5174.1-61.50000109.6Q51 P52 P71 M72 L73 E201Q51-T55 PolarHBondContact O-N 2.85Å; P52-T55 VanDerWaalsContact O-CB 3.31Å; P52-T55 WeakPolarHBondContact O-CB 3.44Å; P52-T55 PolarHBondContact O-N 2.77Å; T55-P71 HydrophobicContact CG2-CB 4.14Å; T55-M72 WeakPolarHBondContact CA-O 3.39Å; T55-L73 HydrophobicContact CG2-CD2 4.36Å; T55-E201 PolarHBondContact OG1-OE1 2.98Å
56K96.8Very high93.9Very high132 Ų13268.3 Ų68.357%0.57437%0.368SS*.EExtended strand (participates in β ladder)trans-130150.9-179.4-65.3-174.7-179.5-1760110.9S54 R58 M72S54-K56 PolarHBondContact O-N 2.88Å; K56-R58 PolarHBondContact O-N 3.22Å; K56-M72 PolarHBondContact N-O 3.48Å; K56-M72 VanDerWaalsContact N-O 3.13Å; K56-M72 PolarHBondContact O-N 3.38Å
57K97.8Very high94.1Very high162 Ų16271.9 Ų71.970%0.70439%0.393SS*.EExtended strand (participates in β ladder)trans-65.8126.4168-70.1-171179.4-1770108.9V70K57-V70 WeakPolarHBondContact CA-O 3.23Å
58R97.9Very high94.4Very high66 Ų6673.1 Ų73.125%0.24940%0.397CS..EExtended strand (participates in β ladder)trans-135.4159.3174.5-64.7-175.7174.4126.4-5109.6K56 Q69 V70 M72K56-R58 PolarHBondContact O-N 3.22Å; R58-Q69 PolarHBondContact O-OE1 3.08Å; R58-V70 PolarHBondContact N-O 2.87Å; R58-V70 PolarHBondContact O-N 2.93Å; R58-M72 HydrophobicContact CB-CB 4.31Å; R58-M72 HydrophobicContact CB-CE 4.45Å; R58-M72 HydrophobicContact CB-CG 3.99Å; R58-M72 HydrophobicContact CB-SD 4.37Å; R58-M72 HydrophobicContact CG-CB 4.37Å
59T98.2Very high94.9Very high64 Ų6477.7 Ų77.739%0.39342%0.416SS..EExtended strand (participates in β ladder)trans-66135175.7-540000110.5V61 Y68 Q69 M72 D226T59-V61 HydrophobicContact CG2-CG2 4.49Å; T59-Y68 CarbonylContact C-O 3.59Å; T59-Y68 WeakPolarHBondContact CA-O 3.27Å; T59-Q69 PolarHBondContact OG1-NE2 3.1Å; T59-M72 WeakPolarHBondContact O-CE 3.31Å; T59-D226 WeakPolarHBondContact O-CB 3.47Å
60F98.3Very high95.3Very high37 Ų3775.1 Ų75.116%0.16241%0.41CS..EExtended strand (participates in β ladder)trans-123.9125.8165.4-175.4-85.1000108.5S67 Y68 V70 M72 P147 D226 R227 F229F60-S67 WeakPolarHBondContact O-CA 3.3Å; F60-Y68 PolarHBondContact N-O 3.27Å; F60-Y68 PolarHBondContact O-N 3.17Å; F60-V70 HydrophobicContact CB-CG1 4.41Å; F60-V70 HydrophobicContact CB-CG2 3.68Å; F60-V70 HydrophobicContact CG-CG2 4.48Å; F60-M72 HydrophobicContact CB-CE 3.74Å; F60-M72 HydrophobicContact CD2-CE 3.83Å; F60-M72 HydrophobicContact CG-CE 4.29Å; F60-P147 HydrophobicContact CD2-CG 4Å; F60-P147 HydrophobicContact CE2-CG 4.06Å; F60-D226 CarbonylContact C-O 3.53Å; F60-D226 VanDerWaalsContact CA-O 3.31Å; F60-D226 WeakPolarHBondContact CA-O 3.23Å; F60-R227 VanDerWaalsContact CE2-N 3.32Å; F60-R227 WeakPolarHBondContact CE2-O 3.19Å; F60-R227 WeakPolarHBondContact CZ-O 3.45Å; F60-F229 HydrophobicContact CE2-CD1 4.31Å; F60-F229 HydrophobicContact CE2-CE1 4.23Å
61V97.6Very high95.5Very high59 Ų5977.8 Ų77.836%0.35843%0.428SS..EExtended strand (participates in β ladder)trans-91.9113.3176.9-174.20000108.2T59 K66 D226 R227 P228T59-V61 HydrophobicContact CG2-CG2 4.49Å; V61-K66 CarbonylContact C-O 3.53Å; V61-K66 WeakPolarHBondContact CA-O 3.23Å; V61-D226 PolarHBondContact N-O 2.84Å; V61-R227 WeakPolarHBondContact O-CA 3.47Å; V61-P228 WeakPolarHBondContact O-CD 3.29Å
62A94.8Very high95.8Very high24 Ų2474.7 Ų74.720%0.19841%0.413CS..  trans-76.1169.9179.800000112.1D64 G65 K66 Y68A62-D64 WeakPolarHBondContact CB-OD1 3.49Å; A62-D64 PolarHBondContact O-N 2.83Å; A62-D64 VanDerWaalsContact O-N 3.15Å; A62-G65 WeakPolarHBondContact O-CA 3.39Å; A62-G65 PolarHBondContact O-N 2.83Å; A62-K66 PolarHBondContact N-O 2.99Å; A62-Y68 HydrophobicContact CB-CD2 4.06Å; A62-Y68 HydrophobicContact CB-CE2 3.67Å
63G90.3Very high96.1Very high73 Ų7372 Ų7275%0.75340%0.396SS*.THydrogen-bonded Turntrans-64.2-16.5-179.300000114.6G65G63-G65 VanDerWaalsContact C-N 3.28Å
64D91.1Very high96.2Very high93 Ų9365.4 Ų65.450%0.49737%0.366SS..THydrogen-bonded Turntrans-86.53.817269.2-10.9000113A62 K66A62-D64 WeakPolarHBondContact CB-OD1 3.49Å; A62-D64 PolarHBondContact O-N 2.83Å; A62-D64 VanDerWaalsContact O-N 3.15Å; D64-K66 VanDerWaalsContact C-N 3.26Å; D64-K66 PolarHBondContact O-N 3.01Å; D64-K66 WeakPolarHBondContact OD1-CB 3.42Å; D64-K66 PolarHBondContact OD1-N 3.08Å; D64-K66 VanDerWaalsContact OD2-CD 3.25Å; D64-K66 WeakPolarHBondContact OD2-CD 3.42Å; D64-K66 WeakPolarHBondContact OD2-CE 3.39Å; D64-K66 IonicContact OD2-NZ 2.9Å
65G92.3Very high96.2Very high53 Ų5364 Ų6455%0.54635%0.354SS..SBendtrans80.3-4.3-177.200000114.6A62 G63A62-G65 WeakPolarHBondContact O-CA 3.39Å; A62-G65 PolarHBondContact O-N 2.83Å; G63-G65 VanDerWaalsContact C-N 3.28Å
66K96.3Very high96Very high125 Ų12566 Ų6654%0.54336%0.363SS..  trans-77.6145.6179.3-63.8-177.9-168.5158.60111.3V61 A62 D64 Y68V61-K66 CarbonylContact C-O 3.53Å; V61-K66 WeakPolarHBondContact CA-O 3.23Å; A62-K66 PolarHBondContact N-O 2.99Å; D64-K66 VanDerWaalsContact C-N 3.26Å; D64-K66 PolarHBondContact O-N 3.01Å; D64-K66 WeakPolarHBondContact OD1-CB 3.42Å; D64-K66 PolarHBondContact OD1-N 3.08Å; D64-K66 VanDerWaalsContact OD2-CD 3.25Å; D64-K66 WeakPolarHBondContact OD2-CD 3.42Å; D64-K66 WeakPolarHBondContact OD2-CE 3.39Å; D64-K66 IonicContact OD2-NZ 2.9Å; K66-Y68 HydrophobicContact CB-CE2 3.7Å
67S97.5Very high95.8Very high80 Ų8060.4 Ų60.456%0.55934%0.34SS*.EExtended strand (participates in β ladder)trans-100.4134.4179.7-70.30000111.6F60F60-S67 WeakPolarHBondContact O-CA 3.3Å
68Y97.3Very high95.4Very high110 Ų11055.1 Ų55.143%0.43132%0.322SS..EExtended strand (participates in β ladder)trans-127.3143.6178.9-59.2-90000110.6T59 F60 A62 K66T59-Y68 CarbonylContact C-O 3.59Å; T59-Y68 WeakPolarHBondContact CA-O 3.27Å; F60-Y68 PolarHBondContact N-O 3.27Å; F60-Y68 PolarHBondContact O-N 3.17Å; A62-Y68 HydrophobicContact CB-CD2 4.06Å; A62-Y68 HydrophobicContact CB-CE2 3.67Å; K66-Y68 HydrophobicContact CB-CE2 3.7Å
69Q98.1Very high95.2Very high116 Ų11652.3 Ų52.354%0.54231%0.312SS..EExtended strand (participates in β ladder)trans-88109.6170.9-71.6-62.7-24.100109.8R58 T59R58-Q69 PolarHBondContact O-OE1 3.08Å; T59-Q69 PolarHBondContact OG1-NE2 3.1Å
70V97.7Very high95.1Very high39 Ų3953.1 Ų53.124%0.23631%0.307CS..EExtended strand (participates in β ladder)trans-122.9148.3-176.3-56.60000111.2K57 R58 F60 M72K57-V70 WeakPolarHBondContact CA-O 3.23Å; R58-V70 PolarHBondContact N-O 2.87Å; R58-V70 PolarHBondContact O-N 2.93Å; F60-V70 HydrophobicContact CB-CG1 4.41Å; F60-V70 HydrophobicContact CB-CG2 3.68Å; F60-V70 HydrophobicContact CG-CG2 4.48Å; V70-M72 HydrophobicContact CG2-CE 3.46Å; V70-M72 VanDerWaalsContact CG2-CE 3.46Å; V70-M72 HydrophobicContact CG2-CG 4Å; V70-M72 PolarHBondContact O-N 3.42Å
71P98Very high95.1Very high56 Ų5651.8 Ų51.836%0.36430%0.302SS..EExtended strand (participates in β ladder)trans-63.6126.4173.526-32.3000110.3T55 K148T55-P71 HydrophobicContact CG2-CB 4.14Å; P71-K148 HydrophobicContact CB-CB 4.29Å; P71-K148 HydrophobicContact CG-CB 4.3Å; P71-K148 PolarHBondContact O-N 3.01Å
72M98.1Very high95Very high0 Ų049.6 Ų49.60%029%0.292CS..EExtended strand (participates in β ladder)trans-123.2121.6179-65.9-133.9-167.600111.1T55 K56 R58 T59 F60 V70 V145 L146 P147 D226T55-M72 WeakPolarHBondContact CA-O 3.39Å; K56-M72 PolarHBondContact N-O 3.48Å; K56-M72 VanDerWaalsContact N-O 3.13Å; K56-M72 PolarHBondContact O-N 3.38Å; R58-M72 HydrophobicContact CB-CB 4.31Å; R58-M72 HydrophobicContact CB-CE 4.45Å; R58-M72 HydrophobicContact CB-CG 3.99Å; R58-M72 HydrophobicContact CB-SD 4.37Å; R58-M72 HydrophobicContact CG-CB 4.37Å; T59-M72 WeakPolarHBondContact O-CE 3.31Å; F60-M72 HydrophobicContact CB-CE 3.74Å; F60-M72 HydrophobicContact CD2-CE 3.83Å; F60-M72 HydrophobicContact CG-CE 4.29Å; V70-M72 HydrophobicContact CG2-CE 3.46Å; V70-M72 VanDerWaalsContact CG2-CE 3.46Å; V70-M72 HydrophobicContact CG2-CG 4Å; V70-M72 PolarHBondContact O-N 3.42Å; M72-V145 HydrophobicContact CB-CG1 3.9Å; M72-V145 HydrophobicContact CG-CG1 4.44Å; M72-V145 HydrophobicContact SD-CG1 3.68Å; M72-L146 CarbonylContact C-O 3.52Å; M72-L146 WeakPolarHBondContact CA-O 3.23Å; M72-P147 HydrophobicContact CE-CG 4.06Å; M72-P147 HydrophobicContact SD-CG 4.02Å; M72-D226 HydrophobicContact CE-CB 4.25Å
73L97.3Very high95Very high0 Ų051.4 Ų51.40%030%0.303CS..EExtended strand (participates in β ladder)trans-60.2142.8169.3-49.5-179.2000109.1F50 T55 V145 L146 K148 V199 E201F50-L73 HydrophobicContact CB-CB 4.41Å; F50-L73 HydrophobicContact CD1-CB 3.53Å; F50-L73 HydrophobicContact CD2-CB 4.41Å; F50-L73 HydrophobicContact CD2-CD1 3.98Å; F50-L73 HydrophobicContact CE1-CB 3.68Å; F50-L73 HydrophobicContact CE2-CD1 4.01Å; F50-L73 HydrophobicContact CG-CB 3.89Å; F50-L73 HydrophobicContact CG-CD1 4.25Å; F50-L73 HydrophobicContact CZ-CB 4.21Å; F50-L73 HydrophobicContact CZ-CD1 4.28Å; T55-L73 HydrophobicContact CG2-CD2 4.36Å; L73-V145 WeakPolarHBondContact O-CA 3.43Å; L73-L146 WeakPolarHBondContact CA-O 3.49Å; L73-L146 HydrophobicContact CB-CB 4.49Å; L73-L146 WeakPolarHBondContact CB-O 3.49Å; L73-L146 PolarHBondContact N-O 2.9Å; L73-L146 PolarHBondContact O-N 2.79Å; L73-K148 HydrophobicContact CD2-CB 3.78Å; L73-K148 HydrophobicContact CD2-CD 4.12Å; L73-K148 HydrophobicContact CD2-CG 4.13Å; L73-K148 HydrophobicContact CG-CB 3.97Å; L73-V199 HydrophobicContact CD1-CG1 3.92Å; L73-E201 HydrophobicContact CD2-CG 3.74Å
74A95.8Very high95.3Very high6 Ų650.4 Ų50.45%0.0528%0.283CS..EExtended strand (participates in β ladder)trans-140.1135.4176.700000111S54 L144S54-A74 WeakPolarHBondContact CB-O 3.13Å; A74-L144 VanDerWaalsContact CA-O 3.3Å; A74-L144 WeakPolarHBondContact CA-O 3.37Å
75Q93.9Very high95.5Very high19 Ų1952.5 Ų52.59%0.08928%0.283CS..EExtended strand (participates in β ladder)trans-152147.6170.567179.3-4700111.7S48 F50 F79 L144S48-Q75 PolarHBondContact O-OE1 3.12Å; S48-Q75 PolarHBondContact OG-OE1 3.27Å; F50-Q75 HydrophobicContact CD1-CB 3.8Å; F50-Q75 HydrophobicContact CD1-CG 3.63Å; F50-Q75 HydrophobicContact CE1-CB 4.17Å; F50-Q75 HydrophobicContact CE1-CG 3.51Å; F50-Q75 VanDerWaalsContact CE2-NE2 3.27Å; F50-Q75 HydrophobicContact CG-CG 4.49Å; F50-Q75 HydrophobicContact CZ-CG 4.25Å; Q75-F79 HydrophobicContact CG-CE2 4.16Å; Q75-F79 HydrophobicContact CG-CZ 3.67Å; Q75-L144 PolarHBondContact N-O 3.42Å; Q75-L144 PolarHBondContact O-N 3.21Å
76L92.1Very high95.6Very high72 Ų7250.2 Ų50.238%0.37726%0.259SS..EExtended strand (participates in β ladder)trans-99.7114.7167.3176.264.3000107.6R141 Q143 P220L76-R141 HydrophobicContact CD1-CG 4.2Å; L76-Q143 HydrophobicContact CD1-CB 4.43Å; L76-P220 HydrophobicContact CD1-CB 3.85Å; L76-P220 HydrophobicContact CD1-CG 3.89Å
77S90.8Very high95.4Very high14 Ų1449.1 Ų49.110%0.09826%0.264CS..EExtended strand (participates in β ladder)trans-153.4-176.7179.5-1580000110.7R141 M142 S207S77-R141 WeakPolarHBondContact O-CA 3.21Å; S77-M142 PolarHBondContact N-O 2.86Å; S77-M142 PolarHBondContact O-N 2.94Å; S77-S207 PolarHBondContact OG-OG 3.29Å
78V91.3Very high95.1Very high52 Ų5251.1 Ų51.132%0.31527%0.269SS..EExtended strand (participates in β ladder)trans-93.7121.6170.8-175.90000108.1P139 K140 I213V78-P139 HydrophobicContact CG1-CB 3.87Å; V78-K140 WeakPolarHBondContact CA-O 3.34Å; V78-I213 HydrophobicContact CB-CD1 4.02Å; V78-I213 HydrophobicContact CG1-CD1 3.45Å; V78-I213 VanDerWaalsContact CG1-CD1 3.45Å; V78-I213 HydrophobicContact CG2-CD1 3.34Å; V78-I213 HydrophobicContact CG2-CG1 4.24Å
79F93.8Very high95Very high7 Ų747 Ų473%0.03126%0.26CS..EExtended strand (participates in β ladder)trans-125147.5176.2-62.5-80.9000110.1Q75 I95 L97 P139 K140 M142 L144Q75-F79 HydrophobicContact CG-CE2 4.16Å; Q75-F79 HydrophobicContact CG-CZ 3.67Å; F79-I95 HydrophobicContact CB-CD1 3.72Å; F79-I95 HydrophobicContact CB-CG1 3.84Å; F79-I95 HydrophobicContact CD1-CD1 4.3Å; F79-I95 HydrophobicContact CD2-CD1 4.29Å; F79-I95 HydrophobicContact CG-CD1 3.86Å; F79-I95 HydrophobicContact CG-CG1 4.36Å; F79-L97 HydrophobicContact CD1-CG 4.46Å; F79-L97 HydrophobicContact CE1-CG 4.3Å; F79-P139 CarbonylContact O-C 3.53Å; F79-P139 WeakPolarHBondContact O-CA 3.16Å; F79-K140 PolarHBondContact N-O 3.3Å; F79-K140 PolarHBondContact O-N 3.17Å; F79-M142 HydrophobicContact CB-CG 4.26Å; F79-M142 HydrophobicContact CB-SD 4.15Å; F79-M142 HydrophobicContact CD2-CG 3.62Å; F79-M142 HydrophobicContact CD2-SD 4.27Å; F79-M142 HydrophobicContact CE2-CG 4.49Å; F79-M142 HydrophobicContact CG-CG 4.4Å; F79-L144 HydrophobicContact CD2-CB 4.43Å; F79-L144 HydrophobicContact CE1-CD2 3.97Å; F79-L144 HydrophobicContact CE2-CB 3.82Å; F79-L144 HydrophobicContact CE2-CD2 4.17Å; F79-L144 HydrophobicContact CZ-CB 4.17Å; F79-L144 HydrophobicContact CZ-CD2 3.76Å
80R95.8Very high94.9Very high81 Ų8144 Ų4431%0.30625%0.247SC..EExtended strand (participates in β ladder)trans-79126.2166.9-68.4-175.366.1-143.68.6107.8E96 M134 M137 V138 P139R80-E96 HydrophobicContact CB-CB 4.14Å; R80-E96 WeakPolarHBondContact CB-OE2 3.21Å; R80-E96 VanDerWaalsContact CD-OE2 3.27Å; R80-E96 WeakPolarHBondContact CD-OE2 3.47Å; R80-E96 IonicContact CZ-OE2 2.8Å; R80-E96 IonicContact NE-OE2 3.93Å; R80-E96 IonicContact NH1-OE1 3.62Å; R80-E96 IonicContact NH1-OE2 3.65Å; R80-E96 PolarHBondContact NH1-OE2 3.24Å; R80-E96 PolarHBondContact O-N 2.93Å; R80-M134 PolarHBondContact NH2-O 2.84Å; R80-M137 HydrophobicContact CB-CB 4.01Å; R80-M137 HydrophobicContact CB-SD 4.45Å; R80-M137 PolarHBondContact NH2-O 2.85Å; R80-V138 WeakPolarHBondContact CA-O 3.36Å; R80-P139 HydrophobicContact CG-CG 4.37Å
81S96.8Very high94.9Very high8 Ų848.3 Ų48.36%0.05626%0.26CS..EExtended strand (participates in β ladder)trans-149.6162.3-18081.90000112.3F94 V138 M142S81-F94 CarbonylContact C-O 3.58Å; S81-F94 VanDerWaalsContact CA-O 3.26Å; S81-F94 WeakPolarHBondContact CA-O 3.38Å; S81-F94 VanDerWaalsContact CB-O 3.3Å; S81-F94 WeakPolarHBondContact CB-O 3.46Å; S81-V138 PolarHBondContact N-O 3.25Å; S81-V138 PolarHBondContact O-N 2.72Å; S81-V138 VanDerWaalsContact O-N 3.12Å; S81-M142 WeakPolarHBondContact OG-CE 3.48Å
82G96Very high94.9Very high13 Ų1346 Ų4613%0.13424%0.244CC..EExtended strand (participates in β ladder)trans-159178.717900000112.3N93 F94G82-N93 WeakPolarHBondContact O-CA 3.49Å; G82-F94 PolarHBondContact N-O 3.49Å; G82-F94 PolarHBondContact O-N 2.92Å
83S95.8Very high94.8Very high62 Ų6248.2 Ų48.243%0.43426%0.256SS..EExtended strand (participates in β ladder)trans-140.8149171.560.10000109Y92 N93S83-Y92 VanDerWaalsContact CA-O 3.28Å; S83-Y92 WeakPolarHBondContact CA-O 3.34Å; S83-N93 VanDerWaalsContact CB-OD1 3.24Å; S83-N93 WeakPolarHBondContact CB-OD1 3.21Å
84T95.6Very high94.8Very high53 Ų5348.3 Ų48.333%0.32526%0.256SS..EExtended strand (participates in β ladder)trans-154.5180175.7-165.10000109.9W91 Y92 F94T84-W91 WeakPolarHBondContact O-CA 3.31Å; T84-Y92 HydrophobicContact CG2-CD1 4.31Å; T84-Y92 HydrophobicContact CG2-CD2 4.36Å; T84-Y92 HydrophobicContact CG2-CE1 3.52Å; T84-Y92 HydrophobicContact CG2-CE2 3.56Å; T84-Y92 WeakPolarHBondContact CG2-OH 3.46Å; T84-Y92 PolarHBondContact N-O 2.92Å; T84-Y92 PolarHBondContact O-N 2.85Å; T84-F94 HydrophobicContact CG2-CD1 4.45Å; T84-F94 HydrophobicContact CG2-CE1 3.64Å; T84-F94 HydrophobicContact CG2-CZ 4.44Å
85R95.4Very high94.9Very high136 Ų13648 Ų4851%0.51325%0.253SS..EExtended strand (participates in β ladder)trans-122.9143.1-173.5-156.5176.189.3155.910.2111.1G89 L90 W91R85-G89 VanDerWaalsContact CD-C 3.45Å; R85-G89 VanDerWaalsContact CD-O 3.26Å; R85-G89 WeakPolarHBondContact CD-O 3.23Å; R85-G89 WeakPolarHBondContact CG-O 3.13Å; R85-G89 VanDerWaalsContact CZ-CA 3.49Å; R85-G89 VanDerWaalsContact NE-CA 3.32Å; R85-L90 CarbonylContact C-O 3.57Å; R85-L90 VanDerWaalsContact CA-O 3.28Å; R85-L90 WeakPolarHBondContact CA-O 3.1Å; R85-L90 WeakPolarHBondContact CG-O 3.43Å; R85-W91 HydrophobicContact CB-CD2 4.27Å; R85-W91 HydrophobicContact CB-CE3 4.5Å; R85-W91 HydrophobicContact CG-CD2 4.35Å; R85-W91 HydrophobicContact CG-CG 4.3Å
86T94.4Very high95Very high5 Ų548.2 Ų48.23%0.03125%0.254CS..  trans-68.3162.5166.1700000110.3N88 G89 L90 Y92 I121 H124T86-N88 PolarHBondContact O-N 2.82Å; T86-N88 VanDerWaalsContact O-N 3.07Å; T86-N88 PolarHBondContact OG1-N 2.88Å; T86-G89 PolarHBondContact O-N 2.87Å; T86-G89 VanDerWaalsContact O-N 3.08Å; T86-L90 HydrophobicContact CG2-CB 4.22Å; T86-L90 PolarHBondContact N-O 3.16Å; T86-L90 WeakPolarHBondContact OG1-CB 3.34Å; T86-L90 PolarHBondContact OG1-N 2.84Å; T86-Y92 HydrophobicContact CG2-CD1 4.1Å; T86-Y92 HydrophobicContact CG2-CE1 4.04Å; T86-I121 HydrophobicContact CG2-CB 4.22Å; T86-I121 HydrophobicContact CG2-CG2 3.91Å; T86-H124 HydrophobicContact CG2-CB 4.24Å
87P92.8Very high95.2Very high102 Ų10244.8 Ų44.866%0.66224%0.237SC*.THydrogen-bonded Turntrans-51.3-32.2172-28.336.7000113G89P87-G89 VanDerWaalsContact C-N 3.31Å; P87-G89 PolarHBondContact O-N 2.76Å
88N91.4Very high95.3Very high123 Ų12346 Ų4666%0.65824%0.244SC*.THydrogen-bonded Turntrans-83.54.7-176.2-62-3000114.6T86T86-N88 PolarHBondContact O-N 2.82Å; T86-N88 VanDerWaalsContact O-N 3.07Å; T86-N88 PolarHBondContact OG1-N 2.88Å
89G94.8Very high95.4Very high24 Ų2444 Ų4425%0.24723%0.231CC..SBendtrans101.1-5.8178.400000116.4R85 T86 P87R85-G89 VanDerWaalsContact CD-C 3.45Å; R85-G89 VanDerWaalsContact CD-O 3.26Å; R85-G89 WeakPolarHBondContact CD-O 3.23Å; R85-G89 WeakPolarHBondContact CG-O 3.13Å; R85-G89 VanDerWaalsContact CZ-CA 3.49Å; R85-G89 VanDerWaalsContact NE-CA 3.32Å; T86-G89 PolarHBondContact O-N 2.87Å; T86-G89 VanDerWaalsContact O-N 3.08Å; P87-G89 VanDerWaalsContact C-N 3.31Å; P87-G89 PolarHBondContact O-N 2.76Å
90L96.4Very high95.1Very high52 Ų5248.9 Ų48.927%0.27225%0.254SS..  trans-88.8121-169.8-55.8174.2000111.1R85 T86 T116 A120R85-L90 CarbonylContact C-O 3.57Å; R85-L90 VanDerWaalsContact CA-O 3.28Å; R85-L90 WeakPolarHBondContact CA-O 3.1Å; R85-L90 WeakPolarHBondContact CG-O 3.43Å; T86-L90 HydrophobicContact CG2-CB 4.22Å; T86-L90 PolarHBondContact N-O 3.16Å; T86-L90 WeakPolarHBondContact OG1-CB 3.34Å; T86-L90 PolarHBondContact OG1-N 2.84Å; L90-T116 HydrophobicContact CB-CG2 4.37Å; L90-T116 HydrophobicContact CD1-CG2 4.05Å; L90-T116 HydrophobicContact CD2-CG2 4.31Å; L90-T116 HydrophobicContact CG-CG2 4.49Å; L90-A120 HydrophobicContact CD1-CB 3.61Å
91W97.1Very high94.5Very high130 Ų13047.8 Ų47.849%0.49227%0.267SS..EExtended strand (participates in β ladder)trans-79.3142.3177.4-74.992.2000111.7T84 R85 T112T84-W91 WeakPolarHBondContact O-CA 3.31Å; R85-W91 HydrophobicContact CB-CD2 4.27Å; R85-W91 HydrophobicContact CB-CE3 4.5Å; R85-W91 HydrophobicContact CG-CD2 4.35Å; R85-W91 HydrophobicContact CG-CG 4.3Å; W91-T112 PolarHBondContact O-N 3.47Å; W91-T112 PolarHBondContact O-OG1 3.35Å
92Y97.1Very high93.8Very high7 Ų753.6 Ų53.63%0.02729%0.293CS..EExtended strand (participates in β ladder)trans-141.9151.6170.365-89000110.9S83 T84 T86 F94 L110 T112 I121 W133S83-Y92 VanDerWaalsContact CA-O 3.28Å; S83-Y92 WeakPolarHBondContact CA-O 3.34Å; T84-Y92 HydrophobicContact CG2-CD1 4.31Å; T84-Y92 HydrophobicContact CG2-CD2 4.36Å; T84-Y92 HydrophobicContact CG2-CE1 3.52Å; T84-Y92 HydrophobicContact CG2-CE2 3.56Å; T84-Y92 WeakPolarHBondContact CG2-OH 3.46Å; T84-Y92 PolarHBondContact N-O 2.92Å; T84-Y92 PolarHBondContact O-N 2.85Å; T86-Y92 HydrophobicContact CG2-CD1 4.1Å; T86-Y92 HydrophobicContact CG2-CE1 4.04Å; Y92-F94 AromaticContact CD2-CD1 3.91Å; Y92-F94 HydrophobicContact CD2-CD1 3.91Å; Y92-F94 AromaticContact CE2-CD1 3.71Å; Y92-F94 HydrophobicContact CE2-CD1 3.71Å; Y92-F94 HydrophobicContact CE2-CE1 4.13Å; Y92-L110 CarbonylContact C-O 3.55Å; Y92-L110 WeakPolarHBondContact CA-O 3.49Å; Y92-L110 VanDerWaalsContact CB-O 3.32Å; Y92-L110 WeakPolarHBondContact CB-O 3.48Å; Y92-T112 WeakPolarHBondContact CA-OG1 3.31Å; Y92-T112 PolarHBondContact N-OG1 2.99Å; Y92-I121 HydrophobicContact CD1-CG2 4.31Å; Y92-I121 HydrophobicContact CG-CD1 4.16Å; Y92-W133 HydrophobicContact CD2-CZ2 4.43Å; Y92-W133 AromaticContact CE2-CE2 3.67Å; Y92-W133 HydrophobicContact CE2-CH2 4.29Å; Y92-W133 AromaticContact CE2-CZ2 3.36Å; Y92-W133 HydrophobicContact CE2-CZ2 3.36Å; Y92-W133 AromaticContact CE2-NE1 3.68Å; Y92-W133 AromaticContact CZ-CZ2 3.82Å; Y92-W133 AromaticContact CZ-NE1 3.81Å; Y92-W133 WeakPolarHBondContact OH-CZ2 3.34Å; Y92-W133 PolarHBondContact OH-NE1 2.83Å
93N96.9Very high93.3Very high47 Ų4758 Ų5825%0.25132%0.322SS..EExtended strand (participates in β ladder)trans-105.9148.5178.3-57.6-51.6000109.6G82 S83 A109 L110 T112 F223G82-N93 WeakPolarHBondContact O-CA 3.49Å; S83-N93 VanDerWaalsContact CB-OD1 3.24Å; S83-N93 WeakPolarHBondContact CB-OD1 3.21Å; N93-A109 WeakPolarHBondContact O-CA 3.48Å; N93-L110 HydrophobicContact CB-CD2 4.49Å; N93-L110 PolarHBondContact N-O 2.89Å; N93-L110 PolarHBondContact O-N 2.69Å; N93-T112 PolarHBondContact ND2-OG1 3.48Å; N93-T112 PolarHBondContact OD1-OG1 2.76Å; N93-F223 HydrophobicContact CB-CE2 3.85Å; N93-F223 HydrophobicContact CB-CZ 4.27Å
94F97.3Very high93Very high1 Ų159.1 Ų59.10%0.00432%0.322CS..EExtended strand (participates in β ladder)trans-139.3148.6176.347.1-88.8000112S81 G82 T84 Y92 I108 A109 W133 M137S81-F94 CarbonylContact C-O 3.58Å; S81-F94 VanDerWaalsContact CA-O 3.26Å; S81-F94 WeakPolarHBondContact CA-O 3.38Å; S81-F94 VanDerWaalsContact CB-O 3.3Å; S81-F94 WeakPolarHBondContact CB-O 3.46Å; G82-F94 PolarHBondContact N-O 3.49Å; G82-F94 PolarHBondContact O-N 2.92Å; T84-F94 HydrophobicContact CG2-CD1 4.45Å; T84-F94 HydrophobicContact CG2-CE1 3.64Å; T84-F94 HydrophobicContact CG2-CZ 4.44Å; Y92-F94 AromaticContact CD2-CD1 3.91Å; Y92-F94 HydrophobicContact CD2-CD1 3.91Å; Y92-F94 AromaticContact CE2-CD1 3.71Å; Y92-F94 HydrophobicContact CE2-CD1 3.71Å; Y92-F94 HydrophobicContact CE2-CE1 4.13Å; F94-I108 CarbonylContact C-O 3.6Å; F94-I108 WeakPolarHBondContact CA-O 3.4Å; F94-I108 WeakPolarHBondContact CB-O 3.37Å; F94-A109 HydrophobicContact CB-CB 4.28Å; F94-W133 HydrophobicContact CB-CD2 4.43Å; F94-W133 HydrophobicContact CB-CE3 4.31Å; F94-W133 HydrophobicContact CD1-CD2 4.26Å; F94-W133 HydrophobicContact CD1-CG 4.25Å; F94-W133 HydrophobicContact CD2-CB 3.81Å; F94-W133 HydrophobicContact CD2-CD2 4.24Å; F94-W133 AromaticContact CD2-CG 3.86Å; F94-W133 HydrophobicContact CD2-CG 3.86Å; F94-W133 AromaticContact CE1-CD1 3.76Å; F94-W133 HydrophobicContact CE1-CG 4.22Å; F94-W133 AromaticContact CE1-NE1 3.96Å; F94-W133 HydrophobicContact CE2-CB 3.66Å; F94-W133 AromaticContact CE2-CD1 3.98Å; F94-W133 AromaticContact CE2-CG 3.81Å; F94-W133 HydrophobicContact CE2-CG 3.81Å; F94-W133 HydrophobicContact CG-CB 4.49Å; F94-W133 HydrophobicContact CG-CD2 4.05Å; F94-W133 HydrophobicContact CG-CE3 4.38Å; F94-W133 HydrophobicContact CG-CG 4.08Å; F94-W133 HydrophobicContact CZ-CB 4.24Å; F94-W133 AromaticContact CZ-CD1 3.68Å; F94-W133 AromaticContact CZ-CG 4Å; F94-W133 HydrophobicContact CZ-CG 4Å; F94-M137 HydrophobicContact CD2-CG 3.53Å; F94-M137 HydrophobicContact CD2-SD 3.78Å; F94-M137 HydrophobicContact CE2-CG 3.4Å; F94-M137 VanDerWaalsContact CE2-CG 3.4Å; F94-M137 HydrophobicContact CE2-SD 4.27Å
95I97.4Very high92.9Very high0 Ų058 Ų580%032%0.316CS..EExtended strand (participates in β ladder)trans-140.9143.9-177.7-170.4177.1000110.4F79 L97 L107 I108 M142 L144 F223F79-I95 HydrophobicContact CB-CD1 3.72Å; F79-I95 HydrophobicContact CB-CG1 3.84Å; F79-I95 HydrophobicContact CD1-CD1 4.3Å; F79-I95 HydrophobicContact CD2-CD1 4.29Å; F79-I95 HydrophobicContact CG-CD1 3.86Å; F79-I95 HydrophobicContact CG-CG1 4.36Å; I95-L97 HydrophobicContact CD1-CD1 4.34Å; I95-L97 HydrophobicContact CG1-CD1 4.15Å; I95-L97 HydrophobicContact CG2-CD1 3.81Å; I95-L107 WeakPolarHBondContact O-CA 3.28Å; I95-I108 HydrophobicContact CG2-CB 3.8Å; I95-I108 HydrophobicContact CG2-CG2 4.41Å; I95-I108 PolarHBondContact N-O 2.91Å; I95-I108 PolarHBondContact O-N 2.73Å; I95-M142 HydrophobicContact CD1-SD 3.53Å; I95-M142 VanDerWaalsContact CD1-SD 3.53Å; I95-M142 HydrophobicContact CG1-SD 4.4Å; I95-L144 HydrophobicContact CD1-CD1 3.91Å; I95-L144 HydrophobicContact CD1-CD2 4.22Å; I95-F223 HydrophobicContact CB-CD1 4.47Å; I95-F223 HydrophobicContact CB-CD2 4.22Å; I95-F223 HydrophobicContact CB-CE1 4.09Å; I95-F223 HydrophobicContact CB-CE2 3.81Å; I95-F223 HydrophobicContact CB-CZ 3.73Å; I95-F223 HydrophobicContact CD1-CB 4.4Å; I95-F223 HydrophobicContact CD1-CD1 4.29Å; I95-F223 HydrophobicContact CD1-CD2 4.36Å; I95-F223 HydrophobicContact CD1-CG 4.1Å; I95-F223 HydrophobicContact CG2-CD1 3.93Å; I95-F223 HydrophobicContact CG2-CE1 3.36Å; I95-F223 HydrophobicContact CG2-CE2 4.01Å; I95-F223 HydrophobicContact CG2-CG 4.46Å; I95-F223 HydrophobicContact CG2-CZ 3.41Å; I95-F223 VanDerWaalsContact CG2-CZ 3.41Å
96E96.7Very high92.9Very high23 Ų2351.6 Ų51.611%0.10729%0.293CS..EExtended strand (participates in β ladder)trans-105.4127175.9-177-172.6-177.600110.8R80 L107 M137R80-E96 HydrophobicContact CB-CB 4.14Å; R80-E96 WeakPolarHBondContact CB-OE2 3.21Å; R80-E96 VanDerWaalsContact CD-OE2 3.27Å; R80-E96 WeakPolarHBondContact CD-OE2 3.47Å; R80-E96 IonicContact CZ-OE2 2.8Å; R80-E96 IonicContact NE-OE2 3.93Å; R80-E96 IonicContact NH1-OE1 3.62Å; R80-E96 IonicContact NH1-OE2 3.65Å; R80-E96 PolarHBondContact NH1-OE2 3.24Å; R80-E96 PolarHBondContact O-N 2.93Å; E96-L107 HydrophobicContact CB-CD2 3.8Å; E96-L107 HydrophobicContact CG-CD2 3.94Å; E96-M137 HydrophobicContact CB-CE 4.04Å; E96-M137 HydrophobicContact CB-SD 3.85Å
97L95.1Very high93Very high1 Ų152.1 Ų52.11%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-114.9101.4174.2-72.474.4000109.3W46 F50 F79 I95 S105 M106 I108 L144 L146W46-L97 HydrophobicContact CE3-CB 4.1Å; W46-L97 HydrophobicContact CE3-CD2 4.48Å; W46-L97 HydrophobicContact CH2-CB 4.34Å; W46-L97 HydrophobicContact CH2-CD2 4.03Å; W46-L97 HydrophobicContact CZ3-CB 3.61Å; W46-L97 HydrophobicContact CZ3-CD2 4Å; F50-L97 HydrophobicContact CZ-CD2 4.25Å; F79-L97 HydrophobicContact CD1-CG 4.46Å; F79-L97 HydrophobicContact CE1-CG 4.3Å; I95-L97 HydrophobicContact CD1-CD1 4.34Å; I95-L97 HydrophobicContact CG1-CD1 4.15Å; I95-L97 HydrophobicContact CG2-CD1 3.81Å; L97-S105 CarbonylContact O-C 3.54Å; L97-S105 WeakPolarHBondContact O-CA 3.3Å; L97-M106 HydrophobicContact CB-CB 4.36Å; L97-M106 PolarHBondContact N-O 2.96Å; L97-M106 PolarHBondContact O-N 3.29Å; L97-I108 HydrophobicContact CD1-CD1 4.02Å; L97-I108 HydrophobicContact CD1-CG1 4.42Å; L97-L144 HydrophobicContact CD1-CD2 4.13Å; L97-L144 HydrophobicContact CD2-CD2 3.79Å; L97-L144 HydrophobicContact CG-CD2 3.99Å; L97-L146 HydrophobicContact CD2-CD2 3.92Å
98P93.8Very high93.3Very high38 Ų3847.2 Ų47.225%0.24726%0.263CS..EExtended strand (participates in β ladder)trans-72.2138.9-179.227.1-33.1000112.1K47K47-P98 HydrophobicContact CB-CB 4.26Å; K47-P98 HydrophobicContact CB-CG 4.1Å; K47-P98 VanDerWaalsContact CB-O 3.3Å; K47-P98 WeakPolarHBondContact CB-O 3.3Å; K47-P98 HydrophobicContact CD-CB 4.24Å; K47-P98 HydrophobicContact CD-CG 3.95Å; K47-P98 PolarHBondContact N-O 2.68Å
99Y92.1Very high93.6Very high12 Ų1241.5 Ų41.55%0.04723%0.233CC..BIsolated β-bridgetrans-81.6164.7165.6-65.6-79.5000110.7F42 L45 W46 E102 I104 M106F42-Y99 HydrophobicContact CE1-CD1 4.48Å; F42-Y99 HydrophobicContact CE1-CD2 4.23Å; F42-Y99 AromaticContact CE1-CE1 3.89Å; F42-Y99 HydrophobicContact CE1-CE1 3.89Å; F42-Y99 AromaticContact CE1-CE2 3.61Å; F42-Y99 HydrophobicContact CE1-CE2 3.61Å; F42-Y99 AromaticContact CE1-CZ 3.43Å; F42-Y99 VanDerWaalsContact CE1-CZ 3.43Å; F42-Y99 HydrophobicContact CZ-CD1 4.43Å; F42-Y99 AromaticContact CZ-CD2 3.97Å; F42-Y99 HydrophobicContact CZ-CD2 3.97Å; F42-Y99 HydrophobicContact CZ-CE1 4.29Å; F42-Y99 AromaticContact CZ-CE2 3.81Å; F42-Y99 HydrophobicContact CZ-CE2 3.81Å; F42-Y99 HydrophobicContact CZ-CG 4.28Å; F42-Y99 AromaticContact CZ-CZ 3.99Å; L45-Y99 CarbonylContact O-C 3.49Å; L45-Y99 WeakPolarHBondContact O-CA 3.45Å; L45-Y99 WeakPolarHBondContact O-CB 3.21Å; W46-Y99 HydrophobicContact CD2-CD1 4.3Å; W46-Y99 HydrophobicContact CD2-CE1 4.02Å; W46-Y99 AromaticContact CE3-CD1 3.74Å; W46-Y99 HydrophobicContact CE3-CD1 3.74Å; W46-Y99 AromaticContact CE3-CE1 3.53Å; W46-Y99 HydrophobicContact CE3-CE1 3.53Å; W46-Y99 HydrophobicContact CE3-CG 4.39Å; W46-Y99 AromaticContact CH2-CE1 3.62Å; W46-Y99 HydrophobicContact CH2-CE1 3.62Å; W46-Y99 HydrophobicContact CH2-CE2 4.43Å; W46-Y99 AromaticContact CH2-CZ 3.5Å; W46-Y99 VanDerWaalsContact CH2-CZ 3.5Å; W46-Y99 WeakPolarHBondContact CH2-OH 3.29Å; W46-Y99 HydrophobicContact CZ2-CE1 4.09Å; W46-Y99 AromaticContact CZ3-CD1 3.92Å; W46-Y99 HydrophobicContact CZ3-CD1 3.92Å; W46-Y99 HydrophobicContact CZ3-CD2 4.45Å; W46-Y99 AromaticContact CZ3-CE1 3.32Å; W46-Y99 HydrophobicContact CZ3-CE1 3.32Å; W46-Y99 AromaticContact CZ3-CE2 3.92Å; W46-Y99 HydrophobicContact CZ3-CE2 3.92Å; W46-Y99 HydrophobicContact CZ3-CG 4.45Å; W46-Y99 AromaticContact CZ3-CZ 3.3Å; Y99-E102 PolarHBondContact O-N 3.43Å; Y99-E102 VanDerWaalsContact O-N 3.16Å; Y99-I104 WeakPolarHBondContact CB-O 3.5Å; Y99-I104 HydrophobicContact CD2-CB 4.14Å; Y99-I104 HydrophobicContact CD2-CG2 3.79Å; Y99-I104 WeakPolarHBondContact CD2-O 3.36Å; Y99-I104 HydrophobicContact CE2-CG2 4.21Å; Y99-I104 PolarHBondContact N-O 3.48Å; Y99-M106 HydrophobicContact CE2-CB 3.93Å; Y99-M106 WeakPolarHBondContact OH-CE 3.46Å
100H88.1Confident93.7Very high109 Ų10940.6 Ų40.651%0.50522%0.222SC..THydrogen-bonded Turntrans-58.7139.7173.3-177.475.2000110.9L45 E102 T204L45-H100 HydrophobicContact CB-CB 4.35Å; L45-H100 PolarHBondContact O-N 3.34Å; H100-E102 VanDerWaalsContact C-N 3.28Å; H100-T204 HydrophobicContact CB-CG2 3.53Å; H100-T204 WeakPolarHBondContact ND1-CB 3.35Å; H100-T204 WeakPolarHBondContact ND1-CG2 3.39Å; H100-T204 PolarHBondContact ND1-OG1 3.02Å
101G83.4Confident93.7Very high57 Ų5738.2 Ų38.259%0.58821%0.21SC*.THydrogen-bonded Turntrans86.6-10.5-17400000114.3S103G101-S103 PolarHBondContact O-N 2.83Å
102E81.4Confident93.6Very high131 Ų13134.7 Ų34.761%0.61220%0.203SC*.SBendtrans59.97.6169.8-52.9-170.3-141.700116.1K47 Y99 H100K47-E102 HydrophobicContact CD-CG 4.03Å; K47-E102 WeakPolarHBondContact CE-OE1 3.43Å; K47-E102 IonicContact NZ-OE1 2.73Å; K47-E102 PolarHBondContact NZ-OE1 3.15Å; K47-E102 IonicContact NZ-OE2 3.07Å; K47-E102 PolarHBondContact NZ-OE2 2.82Å; Y99-E102 PolarHBondContact O-N 3.43Å; Y99-E102 VanDerWaalsContact O-N 3.16Å; H100-E102 VanDerWaalsContact C-N 3.28Å
103S86.1Confident93.5Very high106 Ų10640 Ų4074%0.74123%0.228SC*.SBendtrans-82.7-17.6173.855.30000113.2G101G101-S103 PolarHBondContact O-N 2.83Å
104I90.4Very high93.2Very high84 Ų8442.8 Ų42.843%0.43125%0.251SS..  trans-135.5141.2-178.4-51.8176.4000108.4F42 Y99F42-I104 HydrophobicContact CE2-CD1 3.96Å; F42-I104 HydrophobicContact CE2-CG2 4.35Å; F42-I104 HydrophobicContact CZ-CD1 4.45Å; F42-I104 HydrophobicContact CZ-CG2 3.98Å; Y99-I104 WeakPolarHBondContact CB-O 3.5Å; Y99-I104 HydrophobicContact CD2-CB 4.14Å; Y99-I104 HydrophobicContact CD2-CG2 3.79Å; Y99-I104 WeakPolarHBondContact CD2-O 3.36Å; Y99-I104 HydrophobicContact CE2-CG2 4.21Å; Y99-I104 PolarHBondContact N-O 3.48Å
105S93.5Very high92.9Very high29 Ų2947.2 Ų47.220%0.20328%0.282CS..EExtended strand (participates in β ladder)trans-136.9148.4173.556.70000109.7L97L97-S105 CarbonylContact O-C 3.54Å; L97-S105 WeakPolarHBondContact O-CA 3.3Å
106M95.2Very high92.8Very high3 Ų348 Ų482%0.01529%0.288CS..EExtended strand (participates in β ladder)trans-87.5126164.4179.4175.6-75.500109.1W46 L97 Y99 I108 I197 V199 F231 S232W46-M106 HydrophobicContact CH2-CB 3.97Å; W46-M106 HydrophobicContact CH2-CE 4.1Å; W46-M106 HydrophobicContact CH2-SD 3.85Å; W46-M106 HydrophobicContact CZ3-CB 3.98Å; L97-M106 HydrophobicContact CB-CB 4.36Å; L97-M106 PolarHBondContact N-O 2.96Å; L97-M106 PolarHBondContact O-N 3.29Å; Y99-M106 HydrophobicContact CE2-CB 3.93Å; Y99-M106 WeakPolarHBondContact OH-CE 3.46Å; M106-I108 HydrophobicContact CG-CD1 4.47Å; M106-I108 HydrophobicContact CG-CG1 4Å; M106-I108 HydrophobicContact SD-CD1 4.09Å; M106-I108 HydrophobicContact SD-CG1 4.17Å; M106-I197 HydrophobicContact CE-CD1 3.51Å; M106-V199 HydrophobicContact CE-CG2 3.67Å; M106-V199 HydrophobicContact SD-CG2 4.37Å; M106-F231 HydrophobicContact CE-CD2 4.48Å; M106-F231 HydrophobicContact CG-CB 4.36Å; M106-F231 HydrophobicContact SD-CB 4.38Å; M106-S232 CarbonylContact C-O 3.51Å; M106-S232 WeakPolarHBondContact CA-O 3.17Å
107L96.6Very high92.7Very high15 Ų1550.4 Ų50.48%0.07931%0.305CS..EExtended strand (participates in β ladder)trans-96.2136.4168.3-64.6176.5000109I95 E96 I130 W133 M134 M137 F231 S232I95-L107 WeakPolarHBondContact O-CA 3.28Å; E96-L107 HydrophobicContact CB-CD2 3.8Å; E96-L107 HydrophobicContact CG-CD2 3.94Å; L107-I130 HydrophobicContact CD1-CG2 3.59Å; L107-W133 HydrophobicContact CD1-CE3 4.47Å; L107-M134 HydrophobicContact CD1-SD 4.36Å; L107-M134 HydrophobicContact CD2-SD 4.1Å; L107-M137 HydrophobicContact CD2-CE 3.77Å; L107-F231 CarbonylContact O-C 3.59Å; L107-F231 WeakPolarHBondContact O-CA 3.26Å; L107-S232 PolarHBondContact N-O 2.91Å; L107-S232 PolarHBondContact O-N 3.36Å
108I97.6Very high92.7Very high0 Ų051.8 Ų51.80%031%0.312CS..EExtended strand (participates in β ladder)trans-123.9131.9175.7-62.3179.7000108.3F94 I95 L97 M106 L146 F223 V225 F229 L230 F231F94-I108 CarbonylContact C-O 3.6Å; F94-I108 WeakPolarHBondContact CA-O 3.4Å; F94-I108 WeakPolarHBondContact CB-O 3.37Å; I95-I108 HydrophobicContact CG2-CB 3.8Å; I95-I108 HydrophobicContact CG2-CG2 4.41Å; I95-I108 PolarHBondContact N-O 2.91Å; I95-I108 PolarHBondContact O-N 2.73Å; L97-I108 HydrophobicContact CD1-CD1 4.02Å; L97-I108 HydrophobicContact CD1-CG1 4.42Å; M106-I108 HydrophobicContact CG-CD1 4.47Å; M106-I108 HydrophobicContact CG-CG1 4Å; M106-I108 HydrophobicContact SD-CD1 4.09Å; M106-I108 HydrophobicContact SD-CG1 4.17Å; I108-L146 HydrophobicContact CD1-CD1 3.3Å; I108-L146 HydrophobicContact CD1-CD2 4.04Å; I108-L146 HydrophobicContact CD1-CG 4.33Å; I108-F223 HydrophobicContact CG2-CE1 4.5Å; I108-V225 HydrophobicContact CG2-CG1 4.42Å; I108-V225 HydrophobicContact CG2-CG2 4.19Å; I108-F229 HydrophobicContact CG2-CB 4.37Å; I108-F229 HydrophobicContact CG2-CD2 3.88Å; I108-F229 HydrophobicContact CG2-CG 4.42Å; I108-L230 WeakPolarHBondContact CA-O 3.43Å; I108-F231 HydrophobicContact CG1-CB 4.43Å
109A97.7Very high92.8Very high2 Ų253.9 Ų53.92%0.01733%0.328CS..EExtended strand (participates in β ladder)trans-130.1135.9175.400000111N93 F94 I125 W133 F229 L230N93-A109 WeakPolarHBondContact O-CA 3.48Å; F94-A109 HydrophobicContact CB-CB 4.28Å; A109-I125 HydrophobicContact CB-CD1 4.48Å; A109-W133 HydrophobicContact CB-CH2 3.82Å; A109-W133 HydrophobicContact CB-CZ3 4.15Å; A109-F229 WeakPolarHBondContact O-CA 3.49Å; A109-L230 PolarHBondContact N-O 3.08Å; A109-L230 PolarHBondContact O-N 2.89Å
110L97.4Very high92.9Very high5 Ų554.6 Ų54.63%0.02634%0.336CS..EExtended strand (participates in β ladder)trans-146.2148.6175.669.3168.3000110.7Y92 N93 F223 R227 F229Y92-L110 CarbonylContact C-O 3.55Å; Y92-L110 WeakPolarHBondContact CA-O 3.49Å; Y92-L110 VanDerWaalsContact CB-O 3.32Å; Y92-L110 WeakPolarHBondContact CB-O 3.48Å; N93-L110 HydrophobicContact CB-CD2 4.49Å; N93-L110 PolarHBondContact N-O 2.89Å; N93-L110 PolarHBondContact O-N 2.69Å; L110-F223 HydrophobicContact CD2-CE1 3.49Å; L110-F223 VanDerWaalsContact CD2-CE1 3.49Å; L110-F223 HydrophobicContact CD2-CE2 4.37Å; L110-F223 HydrophobicContact CD2-CZ 3.34Å; L110-R227 HydrophobicContact CD1-CG 4.26Å; L110-F229 HydrophobicContact CB-CB 3.97Å
111P97Very high93.3Very high2 Ų249.4 Ų49.41%0.01331%0.312CS..EExtended strand (participates in β ladder)trans-54.8152.5176-22.633.1000111.5T116 I121 R227P111-T116 HydrophobicContact CB-CG2 3.83Å; P111-T116 HydrophobicContact CG-CG2 4.2Å; P111-T116 WeakPolarHBondContact CG-O 3.48Å; P111-I121 HydrophobicContact CG-CD1 3.97Å; P111-I121 HydrophobicContact CG-CG1 4.33Å; P111-I121 HydrophobicContact CG-CG2 4.37Å; P111-R227 PolarHBondContact O-NH1 3.41Å; P111-R227 PolarHBondContact O-NH2 3.17Å
112T95.7Very high93.8Very high56 Ų5650.4 Ų50.434%0.34430%0.303SS..SBendtrans-79.1-44.4177.7-60.20000110.7W91 Y92 N93 R227W91-T112 PolarHBondContact O-N 3.47Å; W91-T112 PolarHBondContact O-OG1 3.35Å; Y92-T112 WeakPolarHBondContact CA-OG1 3.31Å; Y92-T112 PolarHBondContact N-OG1 2.99Å; N93-T112 PolarHBondContact ND2-OG1 3.48Å; N93-T112 PolarHBondContact OD1-OG1 2.76Å; T112-R227 VanDerWaalsContact C-NH2 3.34Å; T112-R227 PolarHBondContact O-NH2 3.35Å
113E94.1Very high94.5Very high118 Ų11848.7 Ų48.755%0.55130%0.304SS*.SBendtrans-80.4130.3176.2-70.4-83.5165.300110.3S115 T116 R227E113-S115 PolarHBondContact O-N 2.92Å; E113-T116 PolarHBondContact O-N 2.93Å; E113-R227 PolarHBondContact O-NH1 3.07Å
114S90.4Very high94.8Very high106 Ų10646.2 Ų46.274%0.74128%0.28SS*.THydrogen-bonded Turntrans-65.5-24.8177.348.30000113.4T116S114-T116 VanDerWaalsContact C-N 3.3Å
115S91.8Very high95Very high94 Ų9443.6 Ų43.666%0.65727%0.267SS*.THydrogen-bonded Turntrans-72.9-19.2174.758.70000113.6E113E113-S115 PolarHBondContact O-N 2.92Å
116T94.5Very high95Very high18 Ų1845.4 Ų45.411%0.1128%0.277CS..SBendtrans-83.9122-177.9-63.50000110.4L90 P111 E113 S114 A120L90-T116 HydrophobicContact CB-CG2 4.37Å; L90-T116 HydrophobicContact CD1-CG2 4.05Å; L90-T116 HydrophobicContact CD2-CG2 4.31Å; L90-T116 HydrophobicContact CG-CG2 4.49Å; P111-T116 HydrophobicContact CB-CG2 3.83Å; P111-T116 HydrophobicContact CG-CG2 4.2Å; P111-T116 WeakPolarHBondContact CG-O 3.48Å; E113-T116 PolarHBondContact O-N 2.93Å; S114-T116 VanDerWaalsContact C-N 3.3Å; T116-A120 HydrophobicContact CG2-CB 4.36Å
117P94.6Very high94.9Very high73 Ų7350.3 Ų50.347%0.47431%0.307SS..  trans-73.4147178.130.8-35000111.3S119 A120P117-S119 PolarHBondContact O-N 3.37Å; P117-A120 HydrophobicContact CG-CB 4.05Å; P117-A120 WeakPolarHBondContact O-CB 3.33Å; P117-A120 PolarHBondContact O-N 2.83Å
118L95.8Very high94.7Very high29 Ų2957.7 Ų57.715%0.15234%0.338CS..G310 helixtrans-58.5-33.2177.5-175.668.6000112.3A120 I121 I122 P228 F229 L230L118-A120 PolarHBondContact O-N 2.93Å; L118-A120 VanDerWaalsContact O-N 3.15Å; L118-I121 HydrophobicContact CD1-CD1 3.8Å; L118-I121 HydrophobicContact CD1-CG1 3.88Å; L118-I121 VanDerWaalsContact O-CG1 3.28Å; L118-I121 WeakPolarHBondContact O-CG1 3.37Å; L118-I121 PolarHBondContact O-N 2.78Å; L118-I122 HydrophobicContact CD2-CD1 3.95Å; L118-I122 HydrophobicContact CG-CD1 3.76Å; L118-I122 HydrophobicContact CG-CG1 4.05Å; L118-I122 WeakPolarHBondContact O-CG1 3.3Å; L118-I122 PolarHBondContact O-N 2.76Å; L118-I122 VanDerWaalsContact O-N 3.14Å; L118-P228 HydrophobicContact CB-CB 4.12Å; L118-P228 HydrophobicContact CD2-CB 4.16Å; L118-F229 VanDerWaalsContact CD2-C 3.49Å; L118-L230 HydrophobicContact CD1-CB 4.43Å
119S95.2Very high94.5Very high82 Ų8259.4 Ų59.457%0.57335%0.349SS*.G310 helixtrans-60.5-21.6176.755.20000113.7P117 P123P117-S119 PolarHBondContact O-N 3.37Å; S119-P123 WeakPolarHBondContact O-CD 3.38Å
120A94.8Very high94.4Very high28 Ų2861.1 Ų61.123%0.23136%0.357CS..G310 helixtrans-80.8-15.4177.300000113.3L90 T116 P117 L118 H124L90-A120 HydrophobicContact CD1-CB 3.61Å; T116-A120 HydrophobicContact CG2-CB 4.36Å; P117-A120 HydrophobicContact CG-CB 4.05Å; P117-A120 WeakPolarHBondContact O-CB 3.33Å; P117-A120 PolarHBondContact O-N 2.83Å; L118-A120 PolarHBondContact O-N 2.93Å; L118-A120 VanDerWaalsContact O-N 3.15Å; A120-H124 PolarHBondContact O-CD2 3.38Å
121I95.8Very high94.2Very high0 Ų065.3 Ų65.30%038%0.38CS..THydrogen-bonded Turntrans-104.8-32.1177.470.2165.7000112.8T86 Y92 P111 L118 P123 H124 I125T86-I121 HydrophobicContact CG2-CB 4.22Å; T86-I121 HydrophobicContact CG2-CG2 3.91Å; Y92-I121 HydrophobicContact CD1-CG2 4.31Å; Y92-I121 HydrophobicContact CG-CD1 4.16Å; P111-I121 HydrophobicContact CG-CD1 3.97Å; P111-I121 HydrophobicContact CG-CG1 4.33Å; P111-I121 HydrophobicContact CG-CG2 4.37Å; L118-I121 HydrophobicContact CD1-CD1 3.8Å; L118-I121 HydrophobicContact CD1-CG1 3.88Å; L118-I121 VanDerWaalsContact O-CG1 3.28Å; L118-I121 WeakPolarHBondContact O-CG1 3.37Å; L118-I121 PolarHBondContact O-N 2.78Å; I121-P123 VanDerWaalsContact C-CD 3.48Å; I121-H124 PolarHBondContact O-N 3.16Å; I121-I125 HydrophobicContact CD1-CD1 4.3Å; I121-I125 HydrophobicContact CG1-CD1 4.3Å
122I94.9Very high94.1Very high78 Ų7868.2 Ų68.240%0.440%0.4SS..G310 helixtrans-50.6-47.3-177.7-74.3167.9000113.6L118 H124 I125L118-I122 HydrophobicContact CD2-CD1 3.95Å; L118-I122 HydrophobicContact CG-CD1 3.76Å; L118-I122 HydrophobicContact CG-CG1 4.05Å; L118-I122 WeakPolarHBondContact O-CG1 3.3Å; L118-I122 PolarHBondContact O-N 2.76Å; L118-I122 VanDerWaalsContact O-N 3.14Å; I122-H124 PolarHBondContact O-N 3.34Å; I122-I125 PolarHBondContact O-N 2.97Å
123P94.9Very high94.1Very high95 Ų9565.9 Ų65.962%0.61739%0.385SS*.G310 helixtrans-62.2-18.6-177.9-24.235000114S119 I121S119-P123 WeakPolarHBondContact O-CD 3.38Å; I121-P123 VanDerWaalsContact C-CD 3.48Å
124H93.6Very high94Very high53 Ų5363.1 Ų63.125%0.24537%0.373CS..G310 helixtrans-96.2-1.5180-56.9-62000112.8T86 A120 I121 I122 T129T86-H124 HydrophobicContact CG2-CB 4.24Å; A120-H124 PolarHBondContact O-CD2 3.38Å; I121-H124 PolarHBondContact O-N 3.16Å; I122-H124 PolarHBondContact O-N 3.34Å; H124-T129 VanDerWaalsContact O-CG2 3.31Å; H124-T129 WeakPolarHBondContact O-CG2 3.36Å
125I93.6Very high94.1Very high29 Ų2964.7 Ų64.715%0.14937%0.373CS..  trans-95.3109.7179.1-60.2170.5000108.5A109 I121 I122 T129 I130 W133 L230A109-I125 HydrophobicContact CB-CD1 4.48Å; I121-I125 HydrophobicContact CD1-CD1 4.3Å; I121-I125 HydrophobicContact CG1-CD1 4.3Å; I122-I125 PolarHBondContact O-N 2.97Å; I125-T129 WeakPolarHBondContact CA-OG1 3.17Å; I125-I130 HydrophobicContact CG2-CD1 4.38Å; I125-I130 HydrophobicContact CG2-CG1 4.3Å; I125-W133 HydrophobicContact CB-CH2 4.43Å; I125-W133 HydrophobicContact CD1-CH2 3.97Å; I125-W133 HydrophobicContact CD1-CZ2 4.29Å; I125-W133 HydrophobicContact CG1-CH2 3.98Å; I125-W133 HydrophobicContact CG1-CZ2 3.95Å; I125-W133 HydrophobicContact CG2-CH2 3.6Å; I125-W133 HydrophobicContact CG2-CZ2 4.08Å; I125-W133 HydrophobicContact CG2-CZ3 4.44Å; I125-L230 HydrophobicContact CB-CD2 4.35Å; I125-L230 HydrophobicContact CD1-CD2 3.55Å; I125-L230 HydrophobicContact CG2-CD2 3.9Å
126T94Very high94.1Very high68 Ų6864 Ų6442%0.41736%0.364SS..  trans-126.4172178.764.40000110.2K128 T129 I130T126-K128 VanDerWaalsContact C-N 3.26Å; T126-K128 PolarHBondContact O-N 3.49Å; T126-T129 PolarHBondContact N-OG1 3.27Å; T126-T129 PolarHBondContact O-N 3.31Å; T126-T129 VanDerWaalsContact O-N 3.11Å; T126-T129 PolarHBondContact O-OG1 2.99Å; T126-T129 PolarHBondContact OG1-N 3.33Å; T126-I130 WeakPolarHBondContact O-CG1 3.47Å; T126-I130 PolarHBondContact O-N 3.12Å
127T92.3Very high94.1Very high106 Ų10663.4 Ų63.465%0.6536%0.361SS*.Hα-helixtrans-55-43.4172.851.40000111.8T129 I130 D131T127-T129 VanDerWaalsContact C-N 3.31Å; T127-T129 PolarHBondContact O-N 2.91Å; T127-I130 WeakPolarHBondContact O-CB 3.5Å; T127-I130 PolarHBondContact O-N 3.12Å; T127-I130 VanDerWaalsContact O-N 3.13Å; T127-D131 VanDerWaalsContact O-CG 3.27Å; T127-D131 PolarHBondContact O-N 3.07Å
128K93.9Very high94.1Very high170 Ų17063.4 Ų63.474%0.73936%0.359SS*.Hα-helixtrans-60.2-37.7176.6-64.9-175.3179.9-178.10113.2T126 S132T126-K128 VanDerWaalsContact C-N 3.26Å; T126-K128 PolarHBondContact O-N 3.49Å; K128-S132 PolarHBondContact O-N 2.82Å; K128-S132 VanDerWaalsContact O-N 3.08Å
129T93.3Very high94Very high36 Ų3666 Ų6622%0.22138%0.378CS..Hα-helixtrans-73.4-36.317756.90000111.5H124 I125 T126 T127 S132 W133H124-T129 VanDerWaalsContact O-CG2 3.31Å; H124-T129 WeakPolarHBondContact O-CG2 3.36Å; I125-T129 WeakPolarHBondContact CA-OG1 3.17Å; T126-T129 PolarHBondContact N-OG1 3.27Å; T126-T129 PolarHBondContact O-N 3.31Å; T126-T129 VanDerWaalsContact O-N 3.11Å; T126-T129 PolarHBondContact O-OG1 2.99Å; T126-T129 PolarHBondContact OG1-N 3.33Å; T127-T129 VanDerWaalsContact C-N 3.31Å; T127-T129 PolarHBondContact O-N 2.91Å; T129-S132 WeakPolarHBondContact O-CB 3.44Å; T129-S132 PolarHBondContact O-N 2.97Å; T129-W133 VanDerWaalsContact O-CG 3.25Å; T129-W133 PolarHBondContact O-N 2.95Å; T129-W133 PolarHBondContact O-NE1 2.85Å
130I94.6Very high93.8Very high38 Ų3866.5 Ų66.520%0.19537%0.37CS..Hα-helixtrans-62.6-44.1173.7-68.2168.4000110.3L107 I125 T126 T127 S132 W133 M134L107-I130 HydrophobicContact CD1-CG2 3.59Å; I125-I130 HydrophobicContact CG2-CD1 4.38Å; I125-I130 HydrophobicContact CG2-CG1 4.3Å; T126-I130 WeakPolarHBondContact O-CG1 3.47Å; T126-I130 PolarHBondContact O-N 3.12Å; T127-I130 WeakPolarHBondContact O-CB 3.5Å; T127-I130 PolarHBondContact O-N 3.12Å; T127-I130 VanDerWaalsContact O-N 3.13Å; I130-S132 VanDerWaalsContact C-N 3.26Å; I130-S132 PolarHBondContact O-N 3.07Å; I130-W133 HydrophobicContact CG1-CE3 4.05Å; I130-W133 HydrophobicContact CG1-CH2 4.39Å; I130-W133 HydrophobicContact CG1-CZ3 3.93Å; I130-W133 WeakPolarHBondContact O-CA 3.27Å; I130-W133 WeakPolarHBondContact O-CB 3.44Å; I130-W133 PolarHBondContact O-N 3.3Å; I130-M134 WeakPolarHBondContact O-CG 3.48Å; I130-M134 PolarHBondContact O-N 2.78Å
131D94.1Very high93.6Very high93 Ų9370.1 Ų70.150%0.49738%0.377SS..Hα-helixtrans-58.1-40.7174-65-27.4000111.3T127 M134 N135T127-D131 VanDerWaalsContact O-CG 3.27Å; T127-D131 PolarHBondContact O-N 3.07Å; D131-M134 PolarHBondContact O-N 2.8Å; D131-N135 PolarHBondContact O-N 3.33Å; D131-N135 VanDerWaalsContact O-N 3.17Å; D131-N135 PolarHBondContact O-ND2 3.22Å
132S94.2Very high93.5Very high62 Ų6270.5 Ų70.543%0.43438%0.379SS..Hα-helixtrans-62.4-41.4173.8-176.30000112.2K128 T129 I130 M134 N135 T136K128-S132 PolarHBondContact O-N 2.82Å; K128-S132 VanDerWaalsContact O-N 3.08Å; T129-S132 WeakPolarHBondContact O-CB 3.44Å; T129-S132 PolarHBondContact O-N 2.97Å; I130-S132 VanDerWaalsContact C-N 3.26Å; I130-S132 PolarHBondContact O-N 3.07Å; S132-M134 PolarHBondContact O-N 3.04Å; S132-N135 PolarHBondContact O-N 2.92Å; S132-T136 WeakPolarHBondContact O-CB 3.49Å; S132-T136 VanDerWaalsContact O-CG2 3.31Å; S132-T136 WeakPolarHBondContact O-CG2 3.44Å; S132-T136 PolarHBondContact O-N 2.99Å; S132-T136 PolarHBondContact O-OG1 3.11Å
133W94.8Very high93.5Very high8 Ų869.4 Ų69.43%0.0337%0.372CS..Hα-helixtrans-60.4-46.4173.8-56.1-13.6000111.1Y92 F94 L107 A109 I125 T129 I130 N135 T136 M137Y92-W133 HydrophobicContact CD2-CZ2 4.43Å; Y92-W133 AromaticContact CE2-CE2 3.67Å; Y92-W133 HydrophobicContact CE2-CH2 4.29Å; Y92-W133 AromaticContact CE2-CZ2 3.36Å; Y92-W133 HydrophobicContact CE2-CZ2 3.36Å; Y92-W133 AromaticContact CE2-NE1 3.68Å; Y92-W133 AromaticContact CZ-CZ2 3.82Å; Y92-W133 AromaticContact CZ-NE1 3.81Å; Y92-W133 WeakPolarHBondContact OH-CZ2 3.34Å; Y92-W133 PolarHBondContact OH-NE1 2.83Å; F94-W133 HydrophobicContact CB-CD2 4.43Å; F94-W133 HydrophobicContact CB-CE3 4.31Å; F94-W133 HydrophobicContact CD1-CD2 4.26Å; F94-W133 HydrophobicContact CD1-CG 4.25Å; F94-W133 HydrophobicContact CD2-CB 3.81Å; F94-W133 HydrophobicContact CD2-CD2 4.24Å; F94-W133 AromaticContact CD2-CG 3.86Å; F94-W133 HydrophobicContact CD2-CG 3.86Å; F94-W133 AromaticContact CE1-CD1 3.76Å; F94-W133 HydrophobicContact CE1-CG 4.22Å; F94-W133 AromaticContact CE1-NE1 3.96Å; F94-W133 HydrophobicContact CE2-CB 3.66Å; F94-W133 AromaticContact CE2-CD1 3.98Å; F94-W133 AromaticContact CE2-CG 3.81Å; F94-W133 HydrophobicContact CE2-CG 3.81Å; F94-W133 HydrophobicContact CG-CB 4.49Å; F94-W133 HydrophobicContact CG-CD2 4.05Å; F94-W133 HydrophobicContact CG-CE3 4.38Å; F94-W133 HydrophobicContact CG-CG 4.08Å; F94-W133 HydrophobicContact CZ-CB 4.24Å; F94-W133 AromaticContact CZ-CD1 3.68Å; F94-W133 AromaticContact CZ-CG 4Å; F94-W133 HydrophobicContact CZ-CG 4Å; L107-W133 HydrophobicContact CD1-CE3 4.47Å; A109-W133 HydrophobicContact CB-CH2 3.82Å; A109-W133 HydrophobicContact CB-CZ3 4.15Å; I125-W133 HydrophobicContact CB-CH2 4.43Å; I125-W133 HydrophobicContact CD1-CH2 3.97Å; I125-W133 HydrophobicContact CD1-CZ2 4.29Å; I125-W133 HydrophobicContact CG1-CH2 3.98Å; I125-W133 HydrophobicContact CG1-CZ2 3.95Å; I125-W133 HydrophobicContact CG2-CH2 3.6Å; I125-W133 HydrophobicContact CG2-CZ2 4.08Å; I125-W133 HydrophobicContact CG2-CZ3 4.44Å; T129-W133 VanDerWaalsContact O-CG 3.25Å; T129-W133 PolarHBondContact O-N 2.95Å; T129-W133 PolarHBondContact O-NE1 2.85Å; I130-W133 HydrophobicContact CG1-CE3 4.05Å; I130-W133 HydrophobicContact CG1-CH2 4.39Å; I130-W133 HydrophobicContact CG1-CZ3 3.93Å; I130-W133 WeakPolarHBondContact O-CA 3.27Å; I130-W133 WeakPolarHBondContact O-CB 3.44Å; I130-W133 PolarHBondContact O-N 3.3Å; W133-N135 PolarHBondContact O-N 3.13Å; W133-N135 VanDerWaalsContact O-N 3.15Å; W133-T136 WeakPolarHBondContact CA-OG1 3.44Å; W133-T136 PolarHBondContact O-N 2.79Å; W133-T136 PolarHBondContact O-OG1 3.33Å; W133-M137 HydrophobicContact CB-CE 4.14Å; W133-M137 WeakPolarHBondContact O-CB 3.37Å; W133-M137 VanDerWaalsContact O-CG 3.28Å; W133-M137 WeakPolarHBondContact O-CG 3.44Å; W133-M137 PolarHBondContact O-N 3.25Å
134M92.1Very high93.6Very high60 Ų6064.9 Ų64.930%0.29634%0.343SS..Hα-helixtrans-59.5-28.5179.9-68.1-55.4-71.600112.9R80 L107 I130 D131 S132 M137R80-M134 PolarHBondContact NH2-O 2.84Å; L107-M134 HydrophobicContact CD1-SD 4.36Å; L107-M134 HydrophobicContact CD2-SD 4.1Å; I130-M134 WeakPolarHBondContact O-CG 3.48Å; I130-M134 PolarHBondContact O-N 2.78Å; D131-M134 PolarHBondContact O-N 2.8Å; S132-M134 PolarHBondContact O-N 3.04Å; M134-M137 HydrophobicContact SD-CE 3.47Å; M134-M137 WeakPolarHBondContact SD-CE 3.3Å
135N92.9Very high93.8Very high138 Ų13862.4 Ų62.474%0.73833%0.331SS*.Hα-helixtrans-87.7-22.1176.2-68.8-51.8000114D131 S132 W133D131-N135 PolarHBondContact O-N 3.33Å; D131-N135 VanDerWaalsContact O-N 3.17Å; D131-N135 PolarHBondContact O-ND2 3.22Å; S132-N135 PolarHBondContact O-N 2.92Å; W133-N135 PolarHBondContact O-N 3.13Å; W133-N135 VanDerWaalsContact O-N 3.15Å
136T92.9Very high94Very high79 Ų7961 Ų6149%0.48532%0.324SS..Hα-helixtrans-105-19.8-173.753.80000114S132 W133 V138S132-T136 WeakPolarHBondContact O-CB 3.49Å; S132-T136 VanDerWaalsContact O-CG2 3.31Å; S132-T136 WeakPolarHBondContact O-CG2 3.44Å; S132-T136 PolarHBondContact O-N 2.99Å; S132-T136 PolarHBondContact O-OG1 3.11Å; W133-T136 WeakPolarHBondContact CA-OG1 3.44Å; W133-T136 PolarHBondContact O-N 2.79Å; W133-T136 PolarHBondContact O-OG1 3.33Å; T136-V138 PolarHBondContact O-N 3.15Å
137M94.4Very high94.2Very high7 Ų758.2 Ų58.23%0.03431%0.308CS..  trans-64.9131.4177.1-76.1-171.5-81.700111.6R80 F94 E96 L107 W133 M134R80-M137 HydrophobicContact CB-CB 4.01Å; R80-M137 HydrophobicContact CB-SD 4.45Å; R80-M137 PolarHBondContact NH2-O 2.85Å; F94-M137 HydrophobicContact CD2-CG 3.53Å; F94-M137 HydrophobicContact CD2-SD 3.78Å; F94-M137 HydrophobicContact CE2-CG 3.4Å; F94-M137 VanDerWaalsContact CE2-CG 3.4Å; F94-M137 HydrophobicContact CE2-SD 4.27Å; E96-M137 HydrophobicContact CB-CE 4.04Å; E96-M137 HydrophobicContact CB-SD 3.85Å; L107-M137 HydrophobicContact CD2-CE 3.77Å; W133-M137 HydrophobicContact CB-CE 4.14Å; W133-M137 WeakPolarHBondContact O-CB 3.37Å; W133-M137 VanDerWaalsContact O-CG 3.28Å; W133-M137 WeakPolarHBondContact O-CG 3.44Å; W133-M137 PolarHBondContact O-N 3.25Å; M134-M137 HydrophobicContact SD-CE 3.47Å; M134-M137 WeakPolarHBondContact SD-CE 3.3Å
138V93.8Very high94.4Very high72 Ų7257.2 Ų57.244%0.43629%0.294SS..EExtended strand (participates in β ladder)trans-113.8146.5178.3-58.60000110.8R80 S81 T136 K140R80-V138 WeakPolarHBondContact CA-O 3.36Å; S81-V138 PolarHBondContact N-O 3.25Å; S81-V138 PolarHBondContact O-N 2.72Å; S81-V138 VanDerWaalsContact O-N 3.12Å; T136-V138 PolarHBondContact O-N 3.15Å; V138-K140 HydrophobicContact CG2-CD 4.24Å; V138-K140 HydrophobicContact CG2-CG 4.05Å; V138-K140 PolarHBondContact O-N 3.49Å
139P93.9Very high94.4Very high84 Ų8451.3 Ų51.355%0.54527%0.268SS..EExtended strand (participates in β ladder)trans-65.9126.4175.9-13.927.8000110.7V78 F79 R80V78-P139 HydrophobicContact CG1-CB 3.87Å; F79-P139 CarbonylContact O-C 3.53Å; F79-P139 WeakPolarHBondContact O-CA 3.16Å; R80-P139 HydrophobicContact CG-CG 4.37Å
140K91.3Very high94.4Very high92 Ų9253.4 Ų53.440%0.428%0.282SS..EExtended strand (participates in β ladder)trans-135.4137.3176.4-62.2-178.7-171.8176.50110.1V78 F79 V138 M142V78-K140 WeakPolarHBondContact CA-O 3.34Å; F79-K140 PolarHBondContact N-O 3.3Å; F79-K140 PolarHBondContact O-N 3.17Å; V138-K140 HydrophobicContact CG2-CD 4.24Å; V138-K140 HydrophobicContact CG2-CG 4.05Å; V138-K140 PolarHBondContact O-N 3.49Å; K140-M142 HydrophobicContact CB-CE 3.88Å; K140-M142 HydrophobicContact CD-CE 4.43Å; K140-M142 PolarHBondContact O-N 2.84Å
141R90.8Very high94.2Very high105 Ų10553.3 Ų53.340%0.39629%0.286SS..EExtended strand (participates in β ladder)trans-73.5119.3168.4-171.5178.5-174.8-175.20.6108.4L76 S77 P221L76-R141 HydrophobicContact CD1-CG 4.2Å; S77-R141 WeakPolarHBondContact O-CA 3.21Å; R141-P221 WeakPolarHBondContact O-CD 3.39Å
142M92.4Very high93.9Very high7 Ų752.9 Ų52.93%0.03429%0.287CS..EExtended strand (participates in β ladder)trans-151.1157-17661.5171.462.400113.1S77 F79 S81 I95 K140 P221 F223S77-M142 PolarHBondContact N-O 2.86Å; S77-M142 PolarHBondContact O-N 2.94Å; F79-M142 HydrophobicContact CB-CG 4.26Å; F79-M142 HydrophobicContact CB-SD 4.15Å; F79-M142 HydrophobicContact CD2-CG 3.62Å; F79-M142 HydrophobicContact CD2-SD 4.27Å; F79-M142 HydrophobicContact CE2-CG 4.49Å; F79-M142 HydrophobicContact CG-CG 4.4Å; S81-M142 WeakPolarHBondContact OG-CE 3.48Å; I95-M142 HydrophobicContact CD1-SD 3.53Å; I95-M142 VanDerWaalsContact CD1-SD 3.53Å; I95-M142 HydrophobicContact CG1-SD 4.4Å; K140-M142 HydrophobicContact CB-CE 3.88Å; K140-M142 HydrophobicContact CD-CE 4.43Å; K140-M142 PolarHBondContact O-N 2.84Å; M142-P221 WeakPolarHBondContact CA-O 3.24Å; M142-P221 HydrophobicContact CB-CG 4.25Å; M142-P221 WeakPolarHBondContact CB-O 3.42Å; M142-F223 HydrophobicContact SD-CB 3.8Å; M142-F223 HydrophobicContact SD-CD2 4.38Å; M142-F223 HydrophobicContact SD-CG 4.39Å
143Q95.5Very high93.6Very high55 Ų5552.5 Ų52.526%0.25729%0.288SS..EExtended strand (participates in β ladder)trans-92.4105174.6-166.7154.713.500109.9L76 P221 W222 F223L76-Q143 HydrophobicContact CD1-CB 4.43Å; Q143-P221 PolarHBondContact N-O 2.83Å; Q143-W222 HydrophobicContact CB-CD2 3.88Å; Q143-W222 HydrophobicContact CB-CE3 3.92Å; Q143-W222 HydrophobicContact CB-CG 4.29Å; Q143-W222 HydrophobicContact CB-CZ3 4.35Å; Q143-W222 VanDerWaalsContact CD-CZ3 3.43Å; Q143-W222 HydrophobicContact CG-CD2 4Å; Q143-W222 HydrophobicContact CG-CE3 3.61Å; Q143-W222 HydrophobicContact CG-CH2 3.88Å; Q143-W222 HydrophobicContact CG-CZ2 4.23Å; Q143-W222 HydrophobicContact CG-CZ3 3.55Å; Q143-W222 CarbonylContact O-C 3.59Å; Q143-W222 WeakPolarHBondContact O-CA 3.21Å; Q143-W222 VanDerWaalsContact OE1-CE2 3.25Å; Q143-W222 VanDerWaalsContact OE1-CH2 3.23Å; Q143-F223 PolarHBondContact O-N 3.32Å
144L97.1Very high93.2Very high0 Ų055.8 Ų55.80%030%0.303CS..EExtended strand (participates in β ladder)trans-89.3134.2179.317661000110.3F50 A74 Q75 F79 I95 L97 F223F50-L144 HydrophobicContact CE1-CD2 4.34Å; F50-L144 HydrophobicContact CZ-CD2 4.1Å; A74-L144 VanDerWaalsContact CA-O 3.3Å; A74-L144 WeakPolarHBondContact CA-O 3.37Å; Q75-L144 PolarHBondContact N-O 3.42Å; Q75-L144 PolarHBondContact O-N 3.21Å; F79-L144 HydrophobicContact CD2-CB 4.43Å; F79-L144 HydrophobicContact CE1-CD2 3.97Å; F79-L144 HydrophobicContact CE2-CB 3.82Å; F79-L144 HydrophobicContact CE2-CD2 4.17Å; F79-L144 HydrophobicContact CZ-CB 4.17Å; F79-L144 HydrophobicContact CZ-CD2 3.76Å; I95-L144 HydrophobicContact CD1-CD1 3.91Å; I95-L144 HydrophobicContact CD1-CD2 4.22Å; L97-L144 HydrophobicContact CD1-CD2 4.13Å; L97-L144 HydrophobicContact CD2-CD2 3.79Å; L97-L144 HydrophobicContact CG-CD2 3.99Å; L144-F223 WeakPolarHBondContact CA-O 3.35Å; L144-F223 HydrophobicContact CD1-CB 4.19Å; L144-F223 HydrophobicContact CD1-CD1 3.75Å; L144-F223 HydrophobicContact CD1-CG 4.32Å
145V97.9Very high92.9Very high1 Ų156.1 Ų56.11%0.00631%0.309CS..EExtended strand (participates in β ladder)trans-125.2119.3170.51750000109.1M72 L73 W222 F223 I224 V225M72-V145 HydrophobicContact CB-CG1 3.9Å; M72-V145 HydrophobicContact CG-CG1 4.44Å; M72-V145 HydrophobicContact SD-CG1 3.68Å; L73-V145 WeakPolarHBondContact O-CA 3.43Å; V145-W222 HydrophobicContact CG2-CE3 3.95Å; V145-W222 HydrophobicContact CG2-CZ3 3.83Å; V145-F223 PolarHBondContact N-O 2.89Å; V145-I224 HydrophobicContact CB-CB 4.42Å; V145-I224 HydrophobicContact CB-CG1 4.33Å; V145-I224 HydrophobicContact CB-CG2 4.12Å; V145-I224 HydrophobicContact CG1-CG2 4.14Å; V145-I224 HydrophobicContact CG2-CG1 4.4Å; V145-V225 WeakPolarHBondContact O-CB 3.33Å; V145-V225 PolarHBondContact O-N 3.41Å
146L97.9Very high92.7Very high0 Ų052.6 Ų52.60%029%0.29CS..EExtended strand (participates in β ladder)trans-133.5135.2-172.9-178.967.7000110.6F50 M72 L73 L97 I108 K148 V199 V225F50-L146 HydrophobicContact CZ-CD2 4.36Å; M72-L146 CarbonylContact C-O 3.52Å; M72-L146 WeakPolarHBondContact CA-O 3.23Å; L73-L146 WeakPolarHBondContact CA-O 3.49Å; L73-L146 HydrophobicContact CB-CB 4.49Å; L73-L146 WeakPolarHBondContact CB-O 3.49Å; L73-L146 PolarHBondContact N-O 2.9Å; L73-L146 PolarHBondContact O-N 2.79Å; L97-L146 HydrophobicContact CD2-CD2 3.92Å; I108-L146 HydrophobicContact CD1-CD1 3.3Å; I108-L146 HydrophobicContact CD1-CD2 4.04Å; I108-L146 HydrophobicContact CD1-CG 4.33Å; L146-K148 PolarHBondContact O-N 3.49Å; L146-V199 HydrophobicContact CD2-CG1 3.92Å; L146-V225 HydrophobicContact CD1-CB 4.1Å; L146-V225 HydrophobicContact CD1-CG1 4.18Å; L146-V225 HydrophobicContact CD1-CG2 4.05Å
147P97.6Very high92.6Very high10 Ų1050.8 Ų50.87%0.06528%0.277CS..EExtended strand (participates in β ladder)trans-58.9139174.1-25.636.2000111.6F60 M72 F149 V225 F229F60-P147 HydrophobicContact CD2-CG 4Å; F60-P147 HydrophobicContact CE2-CG 4.06Å; M72-P147 HydrophobicContact CE-CG 4.06Å; M72-P147 HydrophobicContact SD-CG 4.02Å; P147-F149 HydrophobicContact CB-CD1 4.18Å; P147-F149 VanDerWaalsContact O-CD1 3.3Å; P147-F149 WeakPolarHBondContact O-CD1 3.45Å; P147-V225 WeakPolarHBondContact CD-O 3.39Å; P147-V225 VanDerWaalsContact CG-O 3.23Å; P147-V225 WeakPolarHBondContact CG-O 3.4Å; P147-F229 HydrophobicContact CG-CE1 4.11Å
148K96.7Very high92.4Very high85 Ų8552.7 Ų52.737%0.3729%0.285SS..  trans-84.7118.6165.4-179.6176.7179.3162.50107.8P71 L73 L146 V199 E201P71-K148 HydrophobicContact CB-CB 4.29Å; P71-K148 HydrophobicContact CG-CB 4.3Å; P71-K148 PolarHBondContact O-N 3.01Å; L73-K148 HydrophobicContact CD2-CB 3.78Å; L73-K148 HydrophobicContact CD2-CD 4.12Å; L73-K148 HydrophobicContact CD2-CG 4.13Å; L73-K148 HydrophobicContact CG-CB 3.97Å; L146-K148 PolarHBondContact O-N 3.49Å; K148-V199 WeakPolarHBondContact CG-O 3.38Å; K148-E201 VanDerWaalsContact CE-OE2 3.23Å; K148-E201 WeakPolarHBondContact CE-OE2 3.25Å; K148-E201 VanDerWaalsContact NZ-CD 3.28Å; K148-E201 IonicContact NZ-OE1 3.52Å; K148-E201 PolarHBondContact NZ-OE1 3.4Å; K148-E201 IonicContact NZ-OE2 3.82Å; K148-E201 PolarHBondContact NZ-OE2 2.8Å
149F95Very high92.3Very high45 Ų4554.6 Ų54.620%0.19729%0.289CS..EExtended strand (participates in β ladder)trans-151.2161.3-175.369.2-87.3000113.2P147 A151 I197 V199 F229 F231P147-F149 HydrophobicContact CB-CD1 4.18Å; P147-F149 VanDerWaalsContact O-CD1 3.3Å; P147-F149 WeakPolarHBondContact O-CD1 3.45Å; F149-A151 HydrophobicContact CD2-CB 3.99Å; F149-A151 HydrophobicContact CE2-CB 3.96Å; F149-I197 HydrophobicContact CE2-CG2 4.38Å; F149-V199 HydrophobicContact CD1-CB 3.99Å; F149-V199 HydrophobicContact CD1-CG1 4.3Å; F149-V199 HydrophobicContact CD1-CG2 4.3Å; F149-V199 HydrophobicContact CE1-CB 3.83Å; F149-V199 HydrophobicContact CE1-CG1 4.08Å; F149-V199 HydrophobicContact CE1-CG2 3.68Å; F149-V199 HydrophobicContact CE2-CG2 4.11Å; F149-V199 HydrophobicContact CG-CB 4.45Å; F149-V199 HydrophobicContact CZ-CB 4.18Å; F149-V199 HydrophobicContact CZ-CG2 3.58Å; F149-V199 PolarHBondContact N-O 3.01Å; F149-V199 PolarHBondContact O-N 3Å; F149-F229 HydrophobicContact CD1-CZ 4.48Å; F149-F229 HydrophobicContact CE1-CE2 4.31Å; F149-F229 AromaticContact CE1-CZ 3.75Å; F149-F229 HydrophobicContact CE1-CZ 3.75Å; F149-F229 HydrophobicContact CZ-CE2 4.4Å; F149-F229 HydrophobicContact CZ-CZ 4.12Å; F149-F231 HydrophobicContact CE2-CE1 4.13Å; F149-F231 HydrophobicContact CE2-CZ 4.35Å; F149-F231 HydrophobicContact CZ-CD1 4.23Å; F149-F231 HydrophobicContact CZ-CE1 4.14Å
150T93.2Very high92.2Very high81 Ų8153.7 Ų53.750%0.49728%0.283SS..EExtended strand (participates in β ladder)trans-121.2125.9163.7-60.60000107.1V152 K196 I197T150-V152 HydrophobicContact CG2-CG2 4.38Å; T150-K196 HydrophobicContact CG2-CG 4.42Å; T150-I197 CarbonylContact C-O 3.51Å; T150-I197 WeakPolarHBondContact CA-O 3.33Å
151A89.9Confident92.1Very high35 Ų3551 Ų5129%0.28927%0.273SS..EExtended strand (participates in β ladder)trans-112130.7175.800000109.4F149 K196 I197F149-A151 HydrophobicContact CD2-CB 3.99Å; F149-A151 HydrophobicContact CE2-CB 3.96Å; A151-K196 CarbonylContact O-C 3.51Å; A151-K196 VanDerWaalsContact O-CA 3.31Å; A151-K196 WeakPolarHBondContact O-CA 3.49Å; A151-I197 HydrophobicContact CB-CG2 3.79Å; A151-I197 PolarHBondContact N-O 3.05Å; A151-I197 PolarHBondContact O-N 3.33Å
152V88.7Confident92.2Very high84 Ų8449.3 Ų49.351%0.50927%0.269SS..EExtended strand (participates in β ladder)trans-125.9124.1173.8-174.50000107.4T150 K194 A195 K196T150-V152 HydrophobicContact CG2-CG2 4.38Å; V152-K194 HydrophobicContact CG1-CG 4.46Å; V152-A195 CarbonylContact C-O 3.58Å; V152-A195 WeakPolarHBondContact CA-O 3.42Å; V152-K196 HydrophobicContact CG2-CB 4.16Å; V152-K196 HydrophobicContact CG2-CD 4.11Å; V152-K196 HydrophobicContact CG2-CG 3.84Å
153A86.5Confident92.2Very high55 Ų5553.3 Ų53.346%0.45530%0.302SS..EExtended strand (participates in β ladder)trans-125.1139.4175.400000109.5K194 A195A153-K194 CarbonylContact O-C 3.59Å; A153-K194 VanDerWaalsContact O-CA 3.23Å; A153-K194 WeakPolarHBondContact O-CA 3.04Å; A153-K194 WeakPolarHBondContact O-CG 3.42Å; A153-A195 PolarHBondContact N-O 2.86Å; A153-A195 PolarHBondContact O-N 3.21Å
154Q86.4Confident91.9Very high76 Ų7657.2 Ų57.236%0.35533%0.325SS..EExtended strand (participates in β ladder)trans-126.5125.9169.8-178.9173.5-43.300108.2L21 Q193 K194L21-Q154 PolarHBondContact O-NE2 3.13Å; L21-Q154 VanDerWaalsContact O-NE2 3.12Å; L21-Q154 PolarHBondContact O-OE1 3.11Å; Q154-Q193 CarbonylContact C-O 3.57Å; Q154-Q193 VanDerWaalsContact CA-O 3.31Å; Q154-Q193 WeakPolarHBondContact CA-O 3.09Å; Q154-K194 HydrophobicContact CB-CB 4.47Å; Q154-K194 HydrophobicContact CB-CD 4.38Å; Q154-K194 HydrophobicContact CB-CG 4.16Å; Q154-K194 HydrophobicContact CG-CB 4.48Å
155T86.8Confident91.6Very high67 Ų6760 Ų6041%0.41135%0.353SS..EExtended strand (participates in β ladder)trans-129133.4-173.7-52.70000109.7L157 L192 Q193T155-L157 HydrophobicContact CG2-CD2 4.06Å; T155-L192 WeakPolarHBondContact O-CA 3.46Å; T155-Q193 PolarHBondContact N-O 3.02Å; T155-Q193 PolarHBondContact O-N 3.42Å
156D87.9Confident91.4Very high64 Ų6463.5 Ų63.534%0.34237%0.371SS..EExtended strand (participates in β ladder)trans-83.8116.7163.4-168.3-23000108.6K158 I191 L192D156-K158 VanDerWaalsContact C-N 3.27Å; D156-K158 PolarHBondContact O-N 2.84Å; D156-K158 WeakPolarHBondContact OD1-CB 3.26Å; D156-K158 PolarHBondContact OD1-N 3.13Å; D156-I191 WeakPolarHBondContact CA-O 3.3Å; D156-L192 HydrophobicContact CB-CD2 3.98Å
157L90.6Very high91.2Very high41 Ų4166.1 Ų66.122%0.21539%0.387CS..  trans-83.7-1.9-176.8-60.1177.3000112.6T155 P160 L161 I191 Q193T155-L157 HydrophobicContact CG2-CD2 4.06Å; L157-P160 WeakPolarHBondContact O-CD 3.48Å; L157-L161 HydrophobicContact CB-CD1 3.92Å; L157-L161 HydrophobicContact CB-CG 4.3Å; L157-L161 VanDerWaalsContact O-CB 3.28Å; L157-L161 WeakPolarHBondContact O-CB 3.43Å; L157-L161 WeakPolarHBondContact O-CD1 3.11Å; L157-L161 WeakPolarHBondContact O-CG 3.48Å; L157-L161 PolarHBondContact O-N 3.37Å; L157-I191 HydrophobicContact CB-CD1 4.49Å; L157-I191 HydrophobicContact CB-CG1 4.16Å; L157-I191 HydrophobicContact CB-CG2 3.91Å; L157-I191 HydrophobicContact CD1-CD1 4.47Å; L157-I191 HydrophobicContact CD1-CG1 4.28Å; L157-I191 PolarHBondContact N-O 2.91Å; L157-Q193 HydrophobicContact CD1-CB 3.93Å; L157-Q193 HydrophobicContact CG-CB 4.21Å
158K90.4Very high91Very high48 Ų4871.4 Ų71.421%0.20941%0.411CS..Hα-helixtrans-57.3-55.3-175.8-177.3172.3-171.6169.90112.7D156 L161 K162 F170 S189 I191D156-K158 VanDerWaalsContact C-N 3.27Å; D156-K158 PolarHBondContact O-N 2.84Å; D156-K158 WeakPolarHBondContact OD1-CB 3.26Å; D156-K158 PolarHBondContact OD1-N 3.13Å; K158-L161 PolarHBondContact O-N 2.72Å; K158-K162 WeakPolarHBondContact O-CG 3.28Å; K158-K162 PolarHBondContact O-N 2.89Å; K158-F170 HydrophobicContact CB-CE1 4.17Å; K158-F170 HydrophobicContact CB-CZ 4.37Å; K158-F170 HydrophobicContact CD-CD1 4.16Å; K158-F170 HydrophobicContact CG-CD1 3.8Å; K158-F170 HydrophobicContact CG-CD2 4.41Å; K158-F170 HydrophobicContact CG-CE1 3.83Å; K158-F170 HydrophobicContact CG-CE2 4.41Å; K158-F170 HydrophobicContact CG-CG 4.1Å; K158-F170 HydrophobicContact CG-CZ 4.15Å; K158-S189 PolarHBondContact NZ-O 2.92Å; K158-I191 HydrophobicContact CB-CG2 4.13Å
159E91.9Very high90.8Very high112 Ų11269.4 Ų69.452%0.52340%0.404SS..Hα-helixtrans-68.5-43-178.5-61.6-53.8125.900112.8L161 K162 A163E159-L161 VanDerWaalsContact C-N 3.33Å; E159-L161 PolarHBondContact O-N 3.47Å; E159-K162 PolarHBondContact O-N 3.07Å; E159-K162 IonicContact OE1-NZ 2.76Å; E159-K162 PolarHBondContact OE1-NZ 3.33Å; E159-K162 IonicContact OE2-NZ 2.78Å; E159-A163 PolarHBondContact O-N 3.2Å
160P90.9Very high90.6Very high64 Ų6467.8 Ų67.842%0.41640%0.396SS..Hα-helixtrans-54.9-43.3170.2-28.735000114.1L157 A163 L164L157-P160 WeakPolarHBondContact O-CD 3.48Å; P160-A163 PolarHBondContact O-N 2.9Å; P160-L164 WeakPolarHBondContact O-CG 3.34Å; P160-L164 PolarHBondContact O-N 2.97Å; P160-L164 VanDerWaalsContact O-N 3.16Å
161L91.1Very high90.4Very high36 Ų3666.9 Ų66.919%0.18839%0.387CS..Hα-helixtrans-69.8-38.1179.9-71.6169.1000112.3L157 K158 E159 A163 L164 G165 I166 F170 I191L157-L161 HydrophobicContact CB-CD1 3.92Å; L157-L161 HydrophobicContact CB-CG 4.3Å; L157-L161 VanDerWaalsContact O-CB 3.28Å; L157-L161 WeakPolarHBondContact O-CB 3.43Å; L157-L161 WeakPolarHBondContact O-CD1 3.11Å; L157-L161 WeakPolarHBondContact O-CG 3.48Å; L157-L161 PolarHBondContact O-N 3.37Å; K158-L161 PolarHBondContact O-N 2.72Å; E159-L161 VanDerWaalsContact C-N 3.33Å; E159-L161 PolarHBondContact O-N 3.47Å; L161-A163 VanDerWaalsContact C-N 3.32Å; L161-A163 PolarHBondContact O-N 2.91Å; L161-L164 CarbonylContact O-C 3.58Å; L161-L164 WeakPolarHBondContact O-CA 3.44Å; L161-L164 WeakPolarHBondContact O-CB 3.48Å; L161-L164 PolarHBondContact O-N 2.93Å; L161-L164 VanDerWaalsContact O-N 3.12Å; L161-G165 PolarHBondContact O-N 2.95Å; L161-I166 CarbonylContact C-O 3.57Å; L161-I166 HydrophobicContact CB-CB 4.31Å; L161-I166 HydrophobicContact CD2-CD1 3.84Å; L161-I166 WeakPolarHBondContact O-CB 3.31Å; L161-I166 PolarHBondContact O-N 3.38Å; L161-F170 HydrophobicContact CB-CE2 4.06Å; L161-F170 HydrophobicContact CB-CZ 4.11Å; L161-F170 HydrophobicContact CD1-CZ 4.1Å; L161-I191 HydrophobicContact CD1-CD1 3.71Å; L161-I191 HydrophobicContact CD1-CG2 4.13Å
162K91.8Very high90.3Very high70 Ų7069 Ų6930%0.30440%0.397SS..Hα-helixtrans-60.3-42.9171.5-75.1177.4177.6172.50111.9K158 E159 L164 G165 I166 T167 F170K158-K162 WeakPolarHBondContact O-CG 3.28Å; K158-K162 PolarHBondContact O-N 2.89Å; E159-K162 PolarHBondContact O-N 3.07Å; E159-K162 IonicContact OE1-NZ 2.76Å; E159-K162 PolarHBondContact OE1-NZ 3.33Å; E159-K162 IonicContact OE2-NZ 2.78Å; K162-L164 PolarHBondContact O-N 2.85Å; K162-G165 WeakPolarHBondContact O-CA 3.46Å; K162-G165 PolarHBondContact O-N 2.8Å; K162-I166 WeakPolarHBondContact CA-O 3.31Å; K162-I166 PolarHBondContact N-O 2.87Å; K162-T167 HydrophobicContact CB-CG2 4.2Å; K162-T167 HydrophobicContact CG-CG2 4.2Å; K162-F170 HydrophobicContact CG-CD2 3.8Å; K162-F170 HydrophobicContact CG-CE2 4.06Å
163A91.6Very high90.4Very high90 Ų9070.2 Ų70.274%0.74441%0.409SS*.Hα-helixtrans-63-25.8176.400000112.6E159 P160 L161 G165E159-A163 PolarHBondContact O-N 3.2Å; P160-A163 PolarHBondContact O-N 2.9Å; L161-A163 VanDerWaalsContact C-N 3.32Å; L161-A163 PolarHBondContact O-N 2.91Å; A163-G165 VanDerWaalsContact C-N 3.29Å
164L89.8Confident90.6Very high138 Ų13873 Ų7372%0.72341%0.411SS*.THydrogen-bonded Turntrans-84.14.4171.7-66.1172.5000113.8P160 L161 K162P160-L164 WeakPolarHBondContact O-CG 3.34Å; P160-L164 PolarHBondContact O-N 2.97Å; P160-L164 VanDerWaalsContact O-N 3.16Å; L161-L164 CarbonylContact O-C 3.58Å; L161-L164 WeakPolarHBondContact O-CA 3.44Å; L161-L164 WeakPolarHBondContact O-CB 3.48Å; L161-L164 PolarHBondContact O-N 2.93Å; L161-L164 VanDerWaalsContact O-N 3.12Å; K162-L164 PolarHBondContact O-N 2.85Å
165G91.4Very high90.8Very high58 Ų5870.1 Ų70.160%0.59840%0.4SS*.THydrogen-bonded Turntrans92.31177.800000115L161 K162 A163 T167L161-G165 PolarHBondContact O-N 2.95Å; K162-G165 WeakPolarHBondContact O-CA 3.46Å; K162-G165 PolarHBondContact O-N 2.8Å; A163-G165 VanDerWaalsContact C-N 3.29Å; G165-T167 PolarHBondContact O-N 2.95Å
166I93.1Very high91Very high74 Ų7472.6 Ų72.638%0.37941%0.411SS..  trans-88.290.3177-58.6167.4000108.1L161 K162 M169 F170L161-I166 CarbonylContact C-O 3.57Å; L161-I166 HydrophobicContact CB-CB 4.31Å; L161-I166 HydrophobicContact CD2-CD1 3.84Å; L161-I166 WeakPolarHBondContact O-CB 3.31Å; L161-I166 PolarHBondContact O-N 3.38Å; K162-I166 WeakPolarHBondContact CA-O 3.31Å; K162-I166 PolarHBondContact N-O 2.87Å; I166-M169 HydrophobicContact CG2-CG 3.76Å; I166-M169 HydrophobicContact CG2-SD 3.25Å; I166-M169 WeakPolarHBondContact CG2-SD 3.43Å; I166-F170 HydrophobicContact CG2-CE2 4.43Å; I166-F170 WeakPolarHBondContact O-CD2 3.33Å; I166-F170 WeakPolarHBondContact O-CE2 3.35Å
167T93.3Very high91.1Very high55 Ų5571.7 Ų71.734%0.33740%0.404SS..  trans-113.9-43.7-173.953.30000113.1K162 G165 M169 F170K162-T167 HydrophobicContact CB-CG2 4.2Å; K162-T167 HydrophobicContact CG-CG2 4.2Å; G165-T167 PolarHBondContact O-N 2.95Å; T167-M169 VanDerWaalsContact C-N 3.28Å; T167-M169 PolarHBondContact O-N 2.92Å; T167-F170 WeakPolarHBondContact O-CB 3.33Å; T167-F170 PolarHBondContact O-N 3.04Å
168E93.3Very high91.1Very high121 Ų12173.4 Ų73.457%0.56542%0.416SS*.G310 helixtrans-57.4-37.1-171.3-64.5-176.4173.400113.7F170 E171 K174 A175E168-F170 PolarHBondContact O-N 2.99Å; E168-F170 VanDerWaalsContact O-N 3.08Å; E168-E171 PolarHBondContact O-N 3.06Å; E168-K174 HydrophobicContact CB-CB 4.26Å; E168-K174 HydrophobicContact CG-CB 4.37Å; E168-K174 HydrophobicContact CG-CD 4.43Å; E168-A175 VanDerWaalsContact O-CA 3.3Å; E168-A175 WeakPolarHBondContact O-CA 3.37Å; E168-A175 WeakPolarHBondContact O-CB 3.31Å; E168-A175 PolarHBondContact O-N 2.93Å
169M92.3Very high91.1Very high44 Ų4481.2 Ų81.222%0.21745%0.45CS..G310 helixtrans-61.5-20.4179.469.4179.1-73.700113.8L36 I166 T167 F177 V188L36-M169 HydrophobicContact CD1-CE 4.2Å; I166-M169 HydrophobicContact CG2-CG 3.76Å; I166-M169 HydrophobicContact CG2-SD 3.25Å; I166-M169 WeakPolarHBondContact CG2-SD 3.43Å; T167-M169 VanDerWaalsContact C-N 3.28Å; T167-M169 PolarHBondContact O-N 2.92Å; M169-F177 HydrophobicContact CB-CE2 4.23Å; M169-F177 HydrophobicContact CB-CZ 3.91Å; M169-V188 HydrophobicContact CE-CB 3.88Å; M169-V188 HydrophobicContact CE-CG1 4.17Å; M169-V188 HydrophobicContact CE-CG2 3.47Å; M169-V188 VanDerWaalsContact CE-CG2 3.47Å; M169-V188 PolarHBondContact O-N 2.93Å
170F91.3Very high90.9Very high11 Ų1181.1 Ų81.15%0.04845%0.452CS..G310 helixtrans-95.8-10.2178.8-56.5-66.2000112.9K158 L161 K162 I166 T167 E168 V188 I191K158-F170 HydrophobicContact CB-CE1 4.17Å; K158-F170 HydrophobicContact CB-CZ 4.37Å; K158-F170 HydrophobicContact CD-CD1 4.16Å; K158-F170 HydrophobicContact CG-CD1 3.8Å; K158-F170 HydrophobicContact CG-CD2 4.41Å; K158-F170 HydrophobicContact CG-CE1 3.83Å; K158-F170 HydrophobicContact CG-CE2 4.41Å; K158-F170 HydrophobicContact CG-CG 4.1Å; K158-F170 HydrophobicContact CG-CZ 4.15Å; L161-F170 HydrophobicContact CB-CE2 4.06Å; L161-F170 HydrophobicContact CB-CZ 4.11Å; L161-F170 HydrophobicContact CD1-CZ 4.1Å; K162-F170 HydrophobicContact CG-CD2 3.8Å; K162-F170 HydrophobicContact CG-CE2 4.06Å; I166-F170 HydrophobicContact CG2-CE2 4.43Å; I166-F170 WeakPolarHBondContact O-CD2 3.33Å; I166-F170 WeakPolarHBondContact O-CE2 3.35Å; T167-F170 WeakPolarHBondContact O-CB 3.33Å; T167-F170 PolarHBondContact O-N 3.04Å; E168-F170 PolarHBondContact O-N 2.99Å; E168-F170 VanDerWaalsContact O-N 3.08Å; F170-V188 HydrophobicContact CD1-CB 3.95Å; F170-V188 HydrophobicContact CD1-CG1 3.94Å; F170-V188 WeakPolarHBondContact CD1-O 3.49Å; F170-V188 HydrophobicContact CE1-CB 4.09Å; F170-V188 HydrophobicContact CE1-CG1 3.7Å; F170-I191 HydrophobicContact CE1-CG2 3.81Å; F170-I191 HydrophobicContact CZ-CG2 4.03Å
171E90.4Very high90.7Very high62 Ų6279.4 Ų79.429%0.2944%0.441SS..  trans-96.4117.1-177.1-70.9-174.5-15000110.7E168 S173 K174 A175E168-E171 PolarHBondContact O-N 3.06Å; E171-S173 PolarHBondContact O-N 3.07Å; E171-S173 VanDerWaalsContact O-N 3.08Å; E171-K174 HydrophobicContact CB-CB 4.13Å; E171-K174 HydrophobicContact CB-CG 4.44Å; E171-K174 PolarHBondContact O-N 3.4Å; E171-K174 VanDerWaalsContact O-N 3.1Å; E171-K174 IonicContact OE1-NZ 2.68Å; E171-K174 WeakPolarHBondContact OE2-CD 3.47Å; E171-K174 WeakPolarHBondContact OE2-CE 3.42Å; E171-K174 IonicContact OE2-NZ 3.54Å; E171-K174 PolarHBondContact OE2-NZ 3.43Å; E171-A175 VanDerWaalsContact O-CB 3.23Å; E171-A175 WeakPolarHBondContact O-CB 3.36Å; E171-A175 PolarHBondContact O-N 3.12Å
172P87.8Confident90.4Very high78 Ų7888.4 Ų88.451%0.50647%0.472SS..THydrogen-bonded Turntrans-57.4-28.1-177.7-2633.8000115.1S185P172-S185 PolarHBondContact O-OG 3.08Å
173S88.8Confident90.1Very high110 Ų11090.2 Ų90.277%0.76949%0.493SS*.THydrogen-bonded Turntrans-87.5-18.1-178.952.80000114.2E171E171-S173 PolarHBondContact O-N 3.07Å; E171-S173 VanDerWaalsContact O-N 3.08Å
174K91.2Very high89.7Confident114 Ų11491.2 Ų91.250%0.49648%0.483SS..THydrogen-bonded Turntrans-116.4-22.5-176-60-170.1-169.1140.70113.8E168 E171 N176E168-K174 HydrophobicContact CB-CB 4.26Å; E168-K174 HydrophobicContact CG-CB 4.37Å; E168-K174 HydrophobicContact CG-CD 4.43Å; E171-K174 HydrophobicContact CB-CB 4.13Å; E171-K174 HydrophobicContact CB-CG 4.44Å; E171-K174 PolarHBondContact O-N 3.4Å; E171-K174 VanDerWaalsContact O-N 3.1Å; E171-K174 IonicContact OE1-NZ 2.68Å; E171-K174 WeakPolarHBondContact OE2-CD 3.47Å; E171-K174 WeakPolarHBondContact OE2-CE 3.42Å; E171-K174 IonicContact OE2-NZ 3.54Å; E171-K174 PolarHBondContact OE2-NZ 3.43Å; K174-N176 PolarHBondContact O-N 2.8Å
175A91Very high89.4Confident15 Ų1588.3 Ų88.312%0.12447%0.474CS..  trans-58.9125.8-177.700000111.5E168 E171 F177 L186 H187E168-A175 VanDerWaalsContact O-CA 3.3Å; E168-A175 WeakPolarHBondContact O-CA 3.37Å; E168-A175 WeakPolarHBondContact O-CB 3.31Å; E168-A175 PolarHBondContact O-N 2.93Å; E171-A175 VanDerWaalsContact O-CB 3.23Å; E171-A175 WeakPolarHBondContact O-CB 3.36Å; E171-A175 PolarHBondContact O-N 3.12Å; A175-F177 HydrophobicContact CB-CD2 4.06Å; A175-F177 HydrophobicContact CB-CE2 3.97Å; A175-L186 VanDerWaalsContact CB-O 3.28Å; A175-L186 WeakPolarHBondContact CB-O 3Å; A175-H187 HydrophobicContact CB-CB 3.67Å
176N91.1Very high89.3Confident119 Ų11986.3 Ų86.364%0.63645%0.45SS*.  trans-114.597.7177.5-173.5-13.1000110.9K174 T178K174-N176 PolarHBondContact O-N 2.8Å; N176-T178 WeakPolarHBondContact OD1-CB 3.47Å; N176-T178 VanDerWaalsContact OD1-CG2 3.22Å; N176-T178 WeakPolarHBondContact OD1-CG2 3.32Å; N176-T178 PolarHBondContact OD1-N 2.77Å; N176-T178 PolarHBondContact OD1-OG1 3.02Å
177F91Very high89.1Confident46 Ų4684.1 Ų84.120%0.20244%0.438CS..  trans-113.531.1175.8-71.2-75.5000112.6L34 M169 A175 K179 I180 T181 L186 V188L34-F177 HydrophobicContact CD2-CE1 4.41Å; L34-F177 HydrophobicContact CD2-CZ 4.44Å; M169-F177 HydrophobicContact CB-CE2 4.23Å; M169-F177 HydrophobicContact CB-CZ 3.91Å; A175-F177 HydrophobicContact CB-CD2 4.06Å; A175-F177 HydrophobicContact CB-CE2 3.97Å; F177-K179 PolarHBondContact O-N 2.85Å; F177-I180 HydrophobicContact CB-CD1 4.26Å; F177-I180 HydrophobicContact CD1-CD1 3.66Å; F177-I180 HydrophobicContact CD1-CG1 4.46Å; F177-I180 HydrophobicContact CE1-CD1 4.43Å; F177-I180 HydrophobicContact CG-CD1 4.29Å; F177-I180 WeakPolarHBondContact O-CB 3.46Å; F177-I180 PolarHBondContact O-N 3.33Å; F177-T181 PolarHBondContact O-N 3.03Å; F177-L186 HydrophobicContact CB-CB 3.98Å; F177-L186 HydrophobicContact CB-CD1 4.43Å; F177-L186 HydrophobicContact CD2-CB 4.17Å; F177-L186 WeakPolarHBondContact CD2-O 3.36Å; F177-L186 HydrophobicContact CG-CB 4.37Å; F177-V188 HydrophobicContact CE2-CG2 4.13Å; F177-V188 HydrophobicContact CZ-CG2 3.68Å
178T89.4Confident88.9Confident76 Ų7681.5 Ų81.547%0.46642%0.422SS..THydrogen-bonded Turntrans-59.2-17.7-178.452.10000114.9N176 T181 R182N176-T178 WeakPolarHBondContact OD1-CB 3.47Å; N176-T178 VanDerWaalsContact OD1-CG2 3.22Å; N176-T178 WeakPolarHBondContact OD1-CG2 3.32Å; N176-T178 PolarHBondContact OD1-N 2.77Å; N176-T178 PolarHBondContact OD1-OG1 3.02Å; T178-T181 VanDerWaalsContact CA-O 3.28Å; T178-T181 WeakPolarHBondContact CA-O 3.28Å; T178-R182 VanDerWaalsContact O-CG 3.3Å; T178-R182 WeakPolarHBondContact O-CG 3.36Å
179K90.8Very high88.7Confident212 Ų21276.2 Ų76.292%0.92240%0.398SS*.THydrogen-bonded Turntrans-77.9-20.6172.5-68.5-174.6178.3179.60113.7F177F177-K179 PolarHBondContact O-N 2.85Å
180I88.3Confident88.3Confident110 Ų11075.6 Ų75.656%0.56440%0.395SS*.THydrogen-bonded Turntrans-87.8-50.9174.5-60.1-179.9000109.1L34 F177 L186L34-I180 HydrophobicContact CD2-CD1 4.37Å; F177-I180 HydrophobicContact CB-CD1 4.26Å; F177-I180 HydrophobicContact CD1-CD1 3.66Å; F177-I180 HydrophobicContact CD1-CG1 4.46Å; F177-I180 HydrophobicContact CE1-CD1 4.43Å; F177-I180 HydrophobicContact CG-CD1 4.29Å; F177-I180 WeakPolarHBondContact O-CB 3.46Å; F177-I180 PolarHBondContact O-N 3.33Å; I180-L186 HydrophobicContact CB-CD1 4.3Å; I180-L186 HydrophobicContact CG2-CD1 3.93Å
181T85.2Confident88.2Confident28 Ų2876.3 Ų76.317%0.17240%0.399CS..  trans-152147.2178.1-176.20000110.3F177 T178 S183 E184 L186F177-T181 PolarHBondContact O-N 3.03Å; T178-T181 VanDerWaalsContact CA-O 3.28Å; T178-T181 WeakPolarHBondContact CA-O 3.28Å; T181-S183 PolarHBondContact OG1-N 2.92Å; T181-S183 PolarHBondContact OG1-OG 3.2Å; T181-E184 HydrophobicContact CG2-CG 3.49Å; T181-E184 VanDerWaalsContact CG2-CG 3.49Å; T181-L186 HydrophobicContact CG2-CD1 3.41Å; T181-L186 VanDerWaalsContact CG2-CD1 3.41Å; T181-L186 HydrophobicContact CG2-CG 3.7Å
182R86.4Confident88Confident225 Ų22573.6 Ų73.685%0.84939%0.386SS*.SBendtrans-108-9.4175.2-63.4-175.9-179.6-180-0.5112.9T178T178-R182 VanDerWaalsContact O-CG 3.3Å; T178-R182 WeakPolarHBondContact O-CG 3.36Å
183S84.4Confident88Confident108 Ų10873 Ų7376%0.75538%0.376SS*.SBendtrans-86.9-16.2-174.452.10000113.6T181T181-S183 PolarHBondContact OG1-N 2.92Å; T181-S183 PolarHBondContact OG1-OG 3.2Å
184E83.2Confident87.9Confident111 Ų11169 Ų6952%0.51935%0.345SS..SBendtrans-144151.2-177.361-174.3153.200111.4T181 L186T181-E184 HydrophobicContact CG2-CG 3.49Å; T181-E184 VanDerWaalsContact CG2-CG 3.49Å; E184-L186 HydrophobicContact CG-CD2 4.09Å; E184-L186 HydrophobicContact CG-CG 4.25Å
185S83.9Confident87.7Confident78 Ų7865.5 Ų65.555%0.54534%0.338SS..  trans-77.8121.5170.2179.40000109.6P172P172-S185 PolarHBondContact O-OG 3.08Å
186L88.9Confident87.5Confident15 Ų1567 Ų678%0.07934%0.342CS..  trans-109.8149174.2-65.7-177.8000110.2R33 A175 F177 I180 T181 E184R33-L186 HydrophobicContact CB-CD2 4.28Å; A175-L186 VanDerWaalsContact CB-O 3.28Å; A175-L186 WeakPolarHBondContact CB-O 3Å; F177-L186 HydrophobicContact CB-CB 3.98Å; F177-L186 HydrophobicContact CB-CD1 4.43Å; F177-L186 HydrophobicContact CD2-CB 4.17Å; F177-L186 WeakPolarHBondContact CD2-O 3.36Å; F177-L186 HydrophobicContact CG-CB 4.37Å; I180-L186 HydrophobicContact CB-CD1 4.3Å; I180-L186 HydrophobicContact CG2-CD1 3.93Å; T181-L186 HydrophobicContact CG2-CD1 3.41Å; T181-L186 VanDerWaalsContact CG2-CD1 3.41Å; T181-L186 HydrophobicContact CG2-CG 3.7Å; E184-L186 HydrophobicContact CG-CD2 4.09Å; E184-L186 HydrophobicContact CG-CG 4.25Å
187H89.4Confident87.5Confident29 Ų2962.6 Ų62.613%0.13432%0.318CS..  trans-147.1155.4166.966.5-78.8000108.1L34 A175 S189L34-H187 VanDerWaalsContact CB-O 3.3Å; L34-H187 WeakPolarHBondContact CB-O 3.3Å; L34-H187 PolarHBondContact N-O 2.98Å; A175-H187 HydrophobicContact CB-CB 3.67Å; H187-S189 PolarHBondContact NE2-OG 2.79Å; H187-S189 PolarHBondContact O-N 3.37Å
188V89.4Confident87.5Confident0 Ų062.7 Ų62.70%032%0.319CS..EExtended strand (participates in β ladder)trans-76.6112.8175.3175.60000109L34 L36 M169 F170 F177 H190 I191L34-V188 HydrophobicContact CD2-CG2 3.79Å; L34-V188 HydrophobicContact CG-CG2 4.25Å; L36-V188 HydrophobicContact CD1-CG1 4.32Å; L36-V188 HydrophobicContact CD1-CG2 3.94Å; L36-V188 HydrophobicContact CG-CG1 4.47Å; L36-V188 HydrophobicContact CG-CG2 4.35Å; M169-V188 HydrophobicContact CE-CB 3.88Å; M169-V188 HydrophobicContact CE-CG1 4.17Å; M169-V188 HydrophobicContact CE-CG2 3.47Å; M169-V188 VanDerWaalsContact CE-CG2 3.47Å; M169-V188 PolarHBondContact O-N 2.93Å; F170-V188 HydrophobicContact CD1-CB 3.95Å; F170-V188 HydrophobicContact CD1-CG1 3.94Å; F170-V188 WeakPolarHBondContact CD1-O 3.49Å; F170-V188 HydrophobicContact CE1-CB 4.09Å; F170-V188 HydrophobicContact CE1-CG1 3.7Å; F177-V188 HydrophobicContact CE2-CG2 4.13Å; F177-V188 HydrophobicContact CZ-CG2 3.68Å; V188-H190 WeakPolarHBondContact CG1-O 3.32Å; V188-I191 HydrophobicContact CG1-CB 4.29Å
189S87.7Confident87.7Confident10 Ų1059.1 Ų59.17%0.0730%0.297CS..EExtended strand (participates in β ladder)trans-78.3-45.8175.6-50.40000110.1T32 R33 L34 K158 H187T32-S189 WeakPolarHBondContact CA-OG 3.5Å; R33-S189 PolarHBondContact N-OG 3.03Å; L34-S189 PolarHBondContact O-N 3.38Å; K158-S189 PolarHBondContact NZ-O 2.92Å; H187-S189 PolarHBondContact NE2-OG 2.79Å; H187-S189 PolarHBondContact O-N 3.37Å
190H84.1Confident87.9Confident30 Ų3049.5 Ų49.514%0.13926%0.256CS..EExtended strand (participates in β ladder)trans-140.5144.7-178.6-57.9-78.1000112.1L26 L34 V35 L36 V188 L192L26-H190 PolarHBondContact O-CE1 2.84Å; L26-H190 PolarHBondContact O-NE2 3.33Å; L34-H190 PolarHBondContact O-N 2.86Å; V35-H190 WeakPolarHBondContact CA-O 3.38Å; V35-H190 HydrophobicContact CG1-CB 4.17Å; V35-H190 HydrophobicContact CG2-CB 4.32Å; L36-H190 PolarHBondContact N-O 2.85Å; V188-H190 WeakPolarHBondContact CG1-O 3.32Å; H190-L192 HydrophobicContact CB-CG 4.47Å
191I88.8Confident88.1Confident26 Ų2645.1 Ų45.113%0.13323%0.233CC..EExtended strand (participates in β ladder)trans-133.4108.4170.9178.9164.3000109.6L36 D156 L157 K158 L161 F170 V188L36-I191 HydrophobicContact CB-CB 4.22Å; L36-I191 HydrophobicContact CB-CD1 4.29Å; L36-I191 HydrophobicContact CB-CG1 3.98Å; L36-I191 HydrophobicContact CD1-CD1 4.09Å; L36-I191 CarbonylContact O-C 3.57Å; L36-I191 WeakPolarHBondContact O-CA 3.36Å; D156-I191 WeakPolarHBondContact CA-O 3.3Å; L157-I191 HydrophobicContact CB-CD1 4.49Å; L157-I191 HydrophobicContact CB-CG1 4.16Å; L157-I191 HydrophobicContact CB-CG2 3.91Å; L157-I191 HydrophobicContact CD1-CD1 4.47Å; L157-I191 HydrophobicContact CD1-CG1 4.28Å; L157-I191 PolarHBondContact N-O 2.91Å; K158-I191 HydrophobicContact CB-CG2 4.13Å; L161-I191 HydrophobicContact CD1-CD1 3.71Å; L161-I191 HydrophobicContact CD1-CG2 4.13Å; F170-I191 HydrophobicContact CE1-CG2 3.81Å; F170-I191 HydrophobicContact CZ-CG2 4.03Å; V188-I191 HydrophobicContact CG1-CB 4.29Å
192L87.9Confident88.2Confident5 Ų547.1 Ų47.13%0.02624%0.243CC..EExtended strand (participates in β ladder)trans-115.4132.5-169.6-57.8172000110.3L22 L26 L36 V37 N38 T155 D156 H190L22-L192 HydrophobicContact CD2-CD1 3.37Å; L26-L192 HydrophobicContact CD2-CD1 3.49Å; L26-L192 VanDerWaalsContact CD2-CD1 3.49Å; L26-L192 HydrophobicContact CD2-CD2 4.04Å; L26-L192 HydrophobicContact CD2-CG 4.42Å; L36-L192 PolarHBondContact O-N 3.27Å; V37-L192 CarbonylContact C-O 3.54Å; V37-L192 WeakPolarHBondContact CA-O 3.28Å; N38-L192 PolarHBondContact N-O 2.88Å; T155-L192 WeakPolarHBondContact O-CA 3.46Å; D156-L192 HydrophobicContact CB-CD2 3.98Å; H190-L192 HydrophobicContact CB-CG 4.47Å
193Q87Confident88Confident65 Ų6537.3 Ų37.330%0.30421%0.212SC..EExtended strand (participates in β ladder)trans-116.3131.6169.4-174.6175.414.400109.7N38 Q154 T155 L157N38-Q193 HydrophobicContact CB-CG 4.29Å; N38-Q193 CarbonylContact O-C 3.55Å; N38-Q193 VanDerWaalsContact O-CA 3.3Å; N38-Q193 WeakPolarHBondContact O-CA 3.28Å; Q154-Q193 CarbonylContact C-O 3.57Å; Q154-Q193 VanDerWaalsContact CA-O 3.31Å; Q154-Q193 WeakPolarHBondContact CA-O 3.09Å; T155-Q193 PolarHBondContact N-O 3.02Å; T155-Q193 PolarHBondContact O-N 3.42Å; L157-Q193 HydrophobicContact CD1-CB 3.93Å; L157-Q193 HydrophobicContact CG-CB 4.21Å
194K86.2Confident87.1Confident26 Ų2634.7 Ų34.711%0.11319%0.191CC..EExtended strand (participates in β ladder)trans-123.5124.7171-166.2166-175.3171.90110.4I18 D19 N20 L21 N38 A39 V40 V152 A153 Q154I18-K194 HydrophobicContact CG2-CB 4.47Å; I18-K194 HydrophobicContact CG2-CD 3.53Å; I18-K194 HydrophobicContact CG2-CG 3.98Å; D19-K194 PolarHBondContact O-NZ 3.3Å; N20-K194 PolarHBondContact O-NZ 3.17Å; L21-K194 HydrophobicContact CD2-CB 3.24Å; L21-K194 HydrophobicContact CD2-CD 3.53Å; L21-K194 HydrophobicContact CD2-CG 4Å; L21-K194 HydrophobicContact CG-CD 4.14Å; N38-K194 PolarHBondContact O-N 3Å; A39-K194 CarbonylContact C-O 3.45Å; A39-K194 VanDerWaalsContact CA-O 3.29Å; A39-K194 WeakPolarHBondContact CA-O 3.42Å; V40-K194 PolarHBondContact N-O 2.76Å; V152-K194 HydrophobicContact CG1-CG 4.46Å; A153-K194 CarbonylContact O-C 3.59Å; A153-K194 VanDerWaalsContact O-CA 3.23Å; A153-K194 WeakPolarHBondContact O-CA 3.04Å; A153-K194 WeakPolarHBondContact O-CG 3.42Å; Q154-K194 HydrophobicContact CB-CB 4.47Å; Q154-K194 HydrophobicContact CB-CD 4.38Å; Q154-K194 HydrophobicContact CB-CG 4.16Å; Q154-K194 HydrophobicContact CG-CB 4.48Å
195A87.6Confident86.1Confident41 Ų4136.5 Ų36.534%0.33920%0.198SC..EExtended strand (participates in β ladder)trans-116.8138.2177.700000109.7V40 V152 A153V40-A195 CarbonylContact O-C 3.52Å; V40-A195 VanDerWaalsContact O-CA 3.27Å; V40-A195 WeakPolarHBondContact O-CA 3.29Å; V152-A195 CarbonylContact C-O 3.58Å; V152-A195 WeakPolarHBondContact CA-O 3.42Å; A153-A195 PolarHBondContact N-O 2.86Å; A153-A195 PolarHBondContact O-N 3.21Å
196K87.8Confident84.7Confident47 Ų4735.1 Ų35.120%0.20419%0.191CC..EExtended strand (participates in β ladder)trans-131.3127.5171.7174.4178-179.8-168.30109.7M17 I18 V40 Y41 F42 T150 A151 V152M17-K196 VanDerWaalsContact O-CD 3.29Å; M17-K196 WeakPolarHBondContact O-CD 3.25Å; M17-K196 PolarHBondContact O-NZ 3.14Å; I18-K196 HydrophobicContact CD1-CB 4.28Å; I18-K196 HydrophobicContact CG1-CB 4.13Å; V40-K196 PolarHBondContact O-N 3.15Å; Y41-K196 WeakPolarHBondContact CA-O 3.48Å; Y41-K196 HydrophobicContact CD2-CB 3.93Å; Y41-K196 HydrophobicContact CD2-CD 3.75Å; Y41-K196 HydrophobicContact CD2-CG 3.68Å; Y41-K196 HydrophobicContact CE2-CD 3.88Å; Y41-K196 HydrophobicContact CE2-CG 3.95Å; F42-K196 PolarHBondContact N-O 2.98Å; T150-K196 HydrophobicContact CG2-CG 4.42Å; A151-K196 CarbonylContact O-C 3.51Å; A151-K196 VanDerWaalsContact O-CA 3.31Å; A151-K196 WeakPolarHBondContact O-CA 3.49Å; V152-K196 HydrophobicContact CG2-CB 4.16Å; V152-K196 HydrophobicContact CG2-CD 4.11Å; V152-K196 HydrophobicContact CG2-CG 3.84Å
197I90.1Very high82.9Confident26 Ų2636.5 Ų36.513%0.13320%0.202CC..EExtended strand (participates in β ladder)trans-125.6140.3173.5-172.2167000110.2F42 M106 F149 T150 A151 F231F42-I197 HydrophobicContact CD1-CD1 4.31Å; F42-I197 HydrophobicContact CD1-CG1 4.38Å; F42-I197 WeakPolarHBondContact O-CA 3.24Å; M106-I197 HydrophobicContact CE-CD1 3.51Å; F149-I197 HydrophobicContact CE2-CG2 4.38Å; T150-I197 CarbonylContact C-O 3.51Å; T150-I197 WeakPolarHBondContact CA-O 3.33Å; A151-I197 HydrophobicContact CB-CG2 3.79Å; A151-I197 PolarHBondContact N-O 3.05Å; A151-I197 PolarHBondContact O-N 3.33Å; I197-F231 HydrophobicContact CD1-CD2 4.21Å; I197-F231 HydrophobicContact CD1-CE2 3.95Å; I197-F231 HydrophobicContact CG2-CE2 3.88Å; I197-F231 HydrophobicContact CG2-CZ 3.94Å
198E91.8Very high80.6Confident48 Ų4839.9 Ų39.922%0.22423%0.234CC..EExtended strand (participates in β ladder)trans-122.8117.6177.4-174.4-178.814500110.3Y41 F42 K43Y41-E198 PolarHBondContact OH-OE2 2.86Å; F42-E198 PolarHBondContact O-N 3.5Å; K43-E198 HydrophobicContact CB-CB 4.44Å; K43-E198 HydrophobicContact CD-CB 4.46Å; K43-E198 HydrophobicContact CD-CG 4.45Å; K43-E198 WeakPolarHBondContact CE-OE1 3.5Å; K43-E198 HydrophobicContact CG-CB 4.41Å; K43-E198 IonicContact NZ-OE1 2.76Å; K43-E198 PolarHBondContact NZ-OE1 2.91Å
199V93.8Very high78.3Confident2 Ų243.1 Ų43.11%0.01226%0.261CS..EExtended strand (participates in β ladder)trans-105.2112176.6172.50000108.3W46 L73 M106 L146 K148 F149W46-V199 HydrophobicContact CZ2-CG1 4.22Å; L73-V199 HydrophobicContact CD1-CG1 3.92Å; M106-V199 HydrophobicContact CE-CG2 3.67Å; M106-V199 HydrophobicContact SD-CG2 4.37Å; L146-V199 HydrophobicContact CD2-CG1 3.92Å; K148-V199 WeakPolarHBondContact CG-O 3.38Å; F149-V199 HydrophobicContact CD1-CB 3.99Å; F149-V199 HydrophobicContact CD1-CG1 4.3Å; F149-V199 HydrophobicContact CD1-CG2 4.3Å; F149-V199 HydrophobicContact CE1-CB 3.83Å; F149-V199 HydrophobicContact CE1-CG1 4.08Å; F149-V199 HydrophobicContact CE1-CG2 3.68Å; F149-V199 HydrophobicContact CE2-CG2 4.11Å; F149-V199 HydrophobicContact CG-CB 4.45Å; F149-V199 HydrophobicContact CZ-CB 4.18Å; F149-V199 HydrophobicContact CZ-CG2 3.58Å; F149-V199 PolarHBondContact N-O 3.01Å; F149-V199 PolarHBondContact O-N 3Å
200S93.8Very high76.3Confident9 Ų947.1 Ų47.16%0.06329%0.286CS..  trans-137.2-176.2-176.268.20000111.3W46 D202W46-S200 PolarHBondContact NE1-O 3.02Å; S200-D202 VanDerWaalsContact C-N 3.26Å; S200-D202 PolarHBondContact O-N 2.9Å; S200-D202 PolarHBondContact OG-N 3.15Å; S200-D202 PolarHBondContact OG-OD2 2.98Å
201E93.3Very high74.2Confident19 Ų1952.3 Ų52.39%0.08932%0.319CS..SBendtrans-71.2-21.2176.5-65.180.817100113.7F50 P52 T55 L73 K148 G203F50-E201 HydrophobicContact CB-CB 4.21Å; F50-E201 HydrophobicContact CB-CG 4.2Å; F50-E201 PolarHBondContact N-O 2.86Å; F50-E201 VanDerWaalsContact N-O 3.15Å; P52-E201 HydrophobicContact CB-CG 4.36Å; P52-E201 HydrophobicContact CG-CB 4.26Å; P52-E201 HydrophobicContact CG-CG 4.11Å; T55-E201 PolarHBondContact OG1-OE1 2.98Å; L73-E201 HydrophobicContact CD2-CG 3.74Å; K148-E201 VanDerWaalsContact CE-OE2 3.23Å; K148-E201 WeakPolarHBondContact CE-OE2 3.25Å; K148-E201 VanDerWaalsContact NZ-CD 3.28Å; K148-E201 IonicContact NZ-OE1 3.52Å; K148-E201 PolarHBondContact NZ-OE1 3.4Å; K148-E201 IonicContact NZ-OE2 3.82Å; K148-E201 PolarHBondContact NZ-OE2 2.8Å; E201-G203 PolarHBondContact O-N 2.82Å
202D87Confident71.9Confident70 Ų7055.6 Ų55.637%0.37435%0.35SS..  trans-56.2125.4-167-66.3-24.8000112.2K43 L45 W46 S200K43-D202 WeakPolarHBondContact CE-OD2 3.49Å; K43-D202 IonicContact NZ-OD2 2.79Å; K43-D202 PolarHBondContact NZ-OD2 2.72Å; L45-D202 HydrophobicContact CD2-CB 3.72Å; W46-D202 PolarHBondContact N-O 2.76Å; S200-D202 VanDerWaalsContact C-N 3.26Å; S200-D202 PolarHBondContact O-N 2.9Å; S200-D202 PolarHBondContact OG-N 3.15Å; S200-D202 PolarHBondContact OG-OD2 2.98Å
203G81.2Confident69.9Low19 Ų1959.3 Ų59.320%0.19637%0.369CS..EExtended strand (participates in β ladder)trans-164.2167.9179.600000111.8W46 E201W46-G203 CarbonylContact O-C 3.58Å; W46-G203 VanDerWaalsContact O-CA 3.23Å; W46-G203 WeakPolarHBondContact O-CA 3.48Å; E201-G203 PolarHBondContact O-N 2.82Å
204T66.3Low67.8Low52 Ų5263.4 Ų63.432%0.31939%0.392SS..EExtended strand (participates in β ladder)trans-87.3-34.6-16851.70000114.6L45 W46 H100L45-T204 HydrophobicContact CB-CG2 3.98Å; L45-T204 HydrophobicContact CD1-CG2 3.8Å; W46-T204 PolarHBondContact O-N 2.73Å; W46-T204 PolarHBondContact O-OG1 3.45Å; H100-T204 HydrophobicContact CB-CG2 3.53Å; H100-T204 WeakPolarHBondContact ND1-CB 3.35Å; H100-T204 WeakPolarHBondContact ND1-CG2 3.39Å; H100-T204 PolarHBondContact ND1-OG1 3.02Å
205K62.2Low65.8Low150 Ų15069.6 Ų69.665%0.65243%0.425SS*.EExtended strand (participates in β ladder)trans-130.8134.6178.6-67.5-175.4179.6179.90110.4S48 R49S48-K205 WeakPolarHBondContact CA-O 3.46Å; R49-K205 WeakPolarHBondContact CG-O 3.46Å; R49-K205 PolarHBondContact N-O 3.41Å
206A55Low64.2Low48 Ų4871.3 Ų71.340%0.39744%0.439SS..  trans-62.5134.815900000107.6R49 A208R49-A206 HydrophobicContact CG-CB 4.34Å; A206-A208 PolarHBondContact O-N 2.74Å
207S51.6Low62.8Low45 Ų4580.8 Ų80.832%0.31547%0.474SS..  trans-58.885.4-178-163.30000111.3S48 S77 A209S48-S207 WeakPolarHBondContact OG-CB 3.41Å; S77-S207 PolarHBondContact OG-OG 3.29Å; S207-A209 VanDerWaalsContact C-N 3.32Å
208A40.7Very low61.8Low99 Ų9983.9 Ų83.982%0.81850%0.498SS*.  trans-99.161.2166.600000107.4A206A206-A208 PolarHBondContact O-N 2.74Å
209A41Very low61.4Low68 Ų6886.3 Ų86.356%0.56252%0.52SS*.  trans-137.956.8175.400000109.6S207S207-A209 VanDerWaalsContact C-N 3.32Å
210T45.9Very low61.1Low95 Ų9587.8 Ų87.858%0.58353%0.53SS*.  trans-112.557.3171-41.10000109.7
211T39.1Very low61Low139 Ų13991 Ų9185%0.85355%0.551SS**SBendtrans-128.1-7.6179.3-11.90000114.7
212A39.8Very low61.1Low94 Ų9496.3 Ų96.378%0.77757%0.57SS**SBendtrans-148.536.2-171.700000115.9
213I47.3Very low61.6Low83 Ų8393.9 Ų93.943%0.42656%0.556SS.*SBendtrans-122.396.2162.6-56.6-166.5000109.3V78 I215V78-I213 HydrophobicContact CB-CD1 4.02Å; V78-I213 HydrophobicContact CG1-CD1 3.45Å; V78-I213 VanDerWaalsContact CG1-CD1 3.45Å; V78-I213 HydrophobicContact CG2-CD1 3.34Å; V78-I213 HydrophobicContact CG2-CG1 4.24Å; I213-I215 PolarHBondContact O-N 3.24Å
214L41.3Very low62.4Low151 Ų15196.2 Ų96.279%0.79156%0.563SS**  trans13.3103.5152.7-73.6152000115.2A216L214-A216 VanDerWaalsContact C-N 3.26Å; L214-A216 PolarHBondContact O-N 3.4Å
215I45.9Very low63.9Low156 Ų15693.7 Ų93.780%0.855%0.548SS*.  trans13.563.1138.7-37.7175.2000115.2I213I213-I215 PolarHBondContact O-N 3.24Å
216A52.8Low65.6Low77 Ų7789.3 Ų89.364%0.63653%0.531SS*.  trans-98.6114.1163.500000106.7L214 S218L214-A216 VanDerWaalsContact C-N 3.26Å; L214-A216 PolarHBondContact O-N 3.4Å; A216-S218 PolarHBondContact O-N 3.48Å
217R58.9Low67.5Low246 Ų24688.7 Ų88.793%0.92852%0.519SS*.  trans-79.2-0178.8-66.3-176.8178.4175.1-0.4113.1
218S69.9Low69.7Low92 Ų9288.8 Ų88.864%0.64352%0.518SS*.SBendtrans-97.9156.2-179.250.90000112.4A216A216-S218 PolarHBondContact O-N 3.48Å
219S82.3Confident72.4Confident98 Ų9885.6 Ų85.669%0.68549%0.486SS*.PPolyproline II helixtrans-59134.3173.6-176.60000110.3
220P87.6Confident75Confident34 Ų3484.8 Ų84.822%0.22147%0.472CS..PPolyproline II helixtrans-56.1142.5174-24.133.4000111.8L76L76-P220 HydrophobicContact CD1-CB 3.85Å; L76-P220 HydrophobicContact CD1-CG 3.89Å
221P92.3Very high77.4Confident77 Ų7783.8 Ų83.850%0.546%0.46SS..PPolyproline II helixtrans-68.5159.5174.329.9-36.1000111.5R141 M142 Q143R141-P221 WeakPolarHBondContact O-CD 3.39Å; M142-P221 WeakPolarHBondContact CA-O 3.24Å; M142-P221 HydrophobicContact CB-CG 4.25Å; M142-P221 WeakPolarHBondContact CB-O 3.42Å; Q143-P221 PolarHBondContact N-O 2.83Å
222W94.8Very high79.7Confident129 Ų12982 Ų8249%0.48945%0.453SS..EExtended strand (participates in β ladder)trans-101.9143.8178.2-67.273.5000111.4Q143 V145 I224Q143-W222 HydrophobicContact CB-CD2 3.88Å; Q143-W222 HydrophobicContact CB-CE3 3.92Å; Q143-W222 HydrophobicContact CB-CG 4.29Å; Q143-W222 HydrophobicContact CB-CZ3 4.35Å; Q143-W222 VanDerWaalsContact CD-CZ3 3.43Å; Q143-W222 HydrophobicContact CG-CD2 4Å; Q143-W222 HydrophobicContact CG-CE3 3.61Å; Q143-W222 HydrophobicContact CG-CH2 3.88Å; Q143-W222 HydrophobicContact CG-CZ2 4.23Å; Q143-W222 HydrophobicContact CG-CZ3 3.55Å; Q143-W222 CarbonylContact O-C 3.59Å; Q143-W222 WeakPolarHBondContact O-CA 3.21Å; Q143-W222 VanDerWaalsContact OE1-CE2 3.25Å; Q143-W222 VanDerWaalsContact OE1-CH2 3.23Å; V145-W222 HydrophobicContact CG2-CE3 3.95Å; V145-W222 HydrophobicContact CG2-CZ3 3.83Å; W222-I224 HydrophobicContact CB-CD1 4.17Å; W222-I224 HydrophobicContact CB-CG1 3.99Å; W222-I224 HydrophobicContact CE3-CD1 4.14Å; W222-I224 HydrophobicContact CE3-CG1 4.21Å
223F96.9Very high81.7Confident19 Ų1981.4 Ų81.48%0.08344%0.437CS..EExtended strand (participates in β ladder)trans-121.9102.4166.2-165.3-74.5000107.4N93 I95 I108 L110 M142 Q143 L144 V145 V225N93-F223 HydrophobicContact CB-CE2 3.85Å; N93-F223 HydrophobicContact CB-CZ 4.27Å; I95-F223 HydrophobicContact CB-CD1 4.47Å; I95-F223 HydrophobicContact CB-CD2 4.22Å; I95-F223 HydrophobicContact CB-CE1 4.09Å; I95-F223 HydrophobicContact CB-CE2 3.81Å; I95-F223 HydrophobicContact CB-CZ 3.73Å; I95-F223 HydrophobicContact CD1-CB 4.4Å; I95-F223 HydrophobicContact CD1-CD1 4.29Å; I95-F223 HydrophobicContact CD1-CD2 4.36Å; I95-F223 HydrophobicContact CD1-CG 4.1Å; I95-F223 HydrophobicContact CG2-CD1 3.93Å; I95-F223 HydrophobicContact CG2-CE1 3.36Å; I95-F223 HydrophobicContact CG2-CE2 4.01Å; I95-F223 HydrophobicContact CG2-CG 4.46Å; I95-F223 HydrophobicContact CG2-CZ 3.41Å; I95-F223 VanDerWaalsContact CG2-CZ 3.41Å; I108-F223 HydrophobicContact CG2-CE1 4.5Å; L110-F223 HydrophobicContact CD2-CE1 3.49Å; L110-F223 VanDerWaalsContact CD2-CE1 3.49Å; L110-F223 HydrophobicContact CD2-CE2 4.37Å; L110-F223 HydrophobicContact CD2-CZ 3.34Å; M142-F223 HydrophobicContact SD-CB 3.8Å; M142-F223 HydrophobicContact SD-CD2 4.38Å; M142-F223 HydrophobicContact SD-CG 4.39Å; Q143-F223 PolarHBondContact O-N 3.32Å; L144-F223 WeakPolarHBondContact CA-O 3.35Å; L144-F223 HydrophobicContact CD1-CB 4.19Å; L144-F223 HydrophobicContact CD1-CD1 3.75Å; L144-F223 HydrophobicContact CD1-CG 4.32Å; V145-F223 PolarHBondContact N-O 2.89Å; F223-V225 HydrophobicContact CD1-CG2 3.87Å; F223-V225 HydrophobicContact CE1-CG2 3.72Å
224I97.8Very high83.5Confident68 Ų6881.3 Ų81.335%0.34944%0.437SS..EExtended strand (participates in β ladder)trans-110.7124.6-172.6-52.5178.5000109V145 W222 D226V145-I224 HydrophobicContact CB-CB 4.42Å; V145-I224 HydrophobicContact CB-CG1 4.33Å; V145-I224 HydrophobicContact CB-CG2 4.12Å; V145-I224 HydrophobicContact CG1-CG2 4.14Å; V145-I224 HydrophobicContact CG2-CG1 4.4Å; W222-I224 HydrophobicContact CB-CD1 4.17Å; W222-I224 HydrophobicContact CB-CG1 3.99Å; W222-I224 HydrophobicContact CE3-CD1 4.14Å; W222-I224 HydrophobicContact CE3-CG1 4.21Å; I224-D226 HydrophobicContact CG2-CB 3.76Å
225V98.1Very high85.9Confident0 Ų077.4 Ų77.40%042%0.418CS..  trans-10567.8179.5-170.90000109I108 V145 L146 P147 F223 F229I108-V225 HydrophobicContact CG2-CG1 4.42Å; I108-V225 HydrophobicContact CG2-CG2 4.19Å; V145-V225 WeakPolarHBondContact O-CB 3.33Å; V145-V225 PolarHBondContact O-N 3.41Å; L146-V225 HydrophobicContact CD1-CB 4.1Å; L146-V225 HydrophobicContact CD1-CG1 4.18Å; L146-V225 HydrophobicContact CD1-CG2 4.05Å; P147-V225 WeakPolarHBondContact CD-O 3.39Å; P147-V225 VanDerWaalsContact CG-O 3.23Å; P147-V225 WeakPolarHBondContact CG-O 3.4Å; F223-V225 HydrophobicContact CD1-CG2 3.87Å; F223-V225 HydrophobicContact CE1-CG2 3.72Å; V225-F229 HydrophobicContact CG1-CB 3.83Å; V225-F229 HydrophobicContact CG1-CD1 3.2Å; V225-F229 HydrophobicContact CG1-CD2 3.93Å; V225-F229 HydrophobicContact CG1-CE1 3.62Å; V225-F229 HydrophobicContact CG1-CE2 4.26Å; V225-F229 HydrophobicContact CG1-CG 3.37Å; V225-F229 HydrophobicContact CG1-CZ 4.12Å
226D97.6Very high88.2Confident57 Ų5772.8 Ų72.831%0.30540%0.395SS..  trans-105.918.2-174.760.8-2.6000114.1T59 F60 V61 M72 I224T59-D226 WeakPolarHBondContact O-CB 3.47Å; F60-D226 CarbonylContact C-O 3.53Å; F60-D226 VanDerWaalsContact CA-O 3.31Å; F60-D226 WeakPolarHBondContact CA-O 3.23Å; V61-D226 PolarHBondContact N-O 2.84Å; M72-D226 HydrophobicContact CE-CB 4.25Å; I224-D226 HydrophobicContact CG2-CB 3.76Å
227R96.8Very high90.4Very high36 Ų3672.6 Ų72.614%0.13638%0.38CS..SBendtrans-154.8172.2-17859.8-179.1166.2141.3-19.7110.8F60 V61 L110 P111 T112 E113 F229F60-R227 VanDerWaalsContact CE2-N 3.32Å; F60-R227 WeakPolarHBondContact CE2-O 3.19Å; F60-R227 WeakPolarHBondContact CZ-O 3.45Å; V61-R227 WeakPolarHBondContact O-CA 3.47Å; L110-R227 HydrophobicContact CD1-CG 4.26Å; P111-R227 PolarHBondContact O-NH1 3.41Å; P111-R227 PolarHBondContact O-NH2 3.17Å; T112-R227 VanDerWaalsContact C-NH2 3.34Å; T112-R227 PolarHBondContact O-NH2 3.35Å; E113-R227 PolarHBondContact O-NH1 3.07Å; R227-F229 WeakPolarHBondContact O-CD1 3.28Å; R227-F229 PolarHBondContact O-N 3.21Å
228P97.3Very high92.5Very high46 Ų4661 Ų6130%0.29934%0.343SS..  trans-55.2129.5-174.8-26.337000112.1V61 L118V61-P228 WeakPolarHBondContact O-CD 3.29Å; L118-P228 HydrophobicContact CB-CB 4.12Å; L118-P228 HydrophobicContact CD2-CB 4.16Å
229F97.4Very high94.2Very high32 Ų3258.8 Ų58.814%0.1432%0.322CS..  trans-136.5156.9-176.665.5-82.9000110.4F60 I108 A109 L110 L118 P147 F149 V225 R227 F231F60-F229 HydrophobicContact CE2-CD1 4.31Å; F60-F229 HydrophobicContact CE2-CE1 4.23Å; I108-F229 HydrophobicContact CG2-CB 4.37Å; I108-F229 HydrophobicContact CG2-CD2 3.88Å; I108-F229 HydrophobicContact CG2-CG 4.42Å; A109-F229 WeakPolarHBondContact O-CA 3.49Å; L110-F229 HydrophobicContact CB-CB 3.97Å; L118-F229 VanDerWaalsContact CD2-C 3.49Å; P147-F229 HydrophobicContact CG-CE1 4.11Å; F149-F229 HydrophobicContact CD1-CZ 4.48Å; F149-F229 HydrophobicContact CE1-CE2 4.31Å; F149-F229 AromaticContact CE1-CZ 3.75Å; F149-F229 HydrophobicContact CE1-CZ 3.75Å; F149-F229 HydrophobicContact CZ-CE2 4.4Å; F149-F229 HydrophobicContact CZ-CZ 4.12Å; V225-F229 HydrophobicContact CG1-CB 3.83Å; V225-F229 HydrophobicContact CG1-CD1 3.2Å; V225-F229 HydrophobicContact CG1-CD2 3.93Å; V225-F229 HydrophobicContact CG1-CE1 3.62Å; V225-F229 HydrophobicContact CG1-CE2 4.26Å; V225-F229 HydrophobicContact CG1-CG 3.37Å; V225-F229 HydrophobicContact CG1-CZ 4.12Å; R227-F229 WeakPolarHBondContact O-CD1 3.28Å; R227-F229 PolarHBondContact O-N 3.21Å; F229-F231 HydrophobicContact CD2-CB 4.5Å; F229-F231 HydrophobicContact CD2-CD1 4.44Å; F229-F231 HydrophobicContact CE2-CB 4.3Å; F229-F231 AromaticContact CE2-CD1 3.93Å; F229-F231 HydrophobicContact CE2-CD1 3.93Å
230L96.3Very high95.1Very high51 Ų5155.8 Ų55.827%0.26729%0.294SS..EExtended strand (participates in β ladder)trans-95.9143.2169-176.775.1000109I108 A109 L118 I125I108-L230 WeakPolarHBondContact CA-O 3.43Å; A109-L230 PolarHBondContact N-O 3.08Å; A109-L230 PolarHBondContact O-N 2.89Å; L118-L230 HydrophobicContact CD1-CB 4.43Å; I125-L230 HydrophobicContact CB-CD2 4.35Å; I125-L230 HydrophobicContact CD1-CD2 3.55Å; I125-L230 HydrophobicContact CG2-CD2 3.9Å
231F94.8Very high95.7Very high75 Ų7557.6 Ų57.633%0.32930%0.3SS..EExtended strand (participates in β ladder)trans-127.9148.8166.564-89.8000111.1M106 L107 I108 F149 I197 F229M106-F231 HydrophobicContact CE-CD2 4.48Å; M106-F231 HydrophobicContact CG-CB 4.36Å; M106-F231 HydrophobicContact SD-CB 4.38Å; L107-F231 CarbonylContact O-C 3.59Å; L107-F231 WeakPolarHBondContact O-CA 3.26Å; I108-F231 HydrophobicContact CG1-CB 4.43Å; F149-F231 HydrophobicContact CE2-CE1 4.13Å; F149-F231 HydrophobicContact CE2-CZ 4.35Å; F149-F231 HydrophobicContact CZ-CD1 4.23Å; F149-F231 HydrophobicContact CZ-CE1 4.14Å; I197-F231 HydrophobicContact CD1-CD2 4.21Å; I197-F231 HydrophobicContact CD1-CE2 3.95Å; I197-F231 HydrophobicContact CG2-CE2 3.88Å; I197-F231 HydrophobicContact CG2-CZ 3.94Å; F229-F231 HydrophobicContact CD2-CB 4.5Å; F229-F231 HydrophobicContact CD2-CD1 4.44Å; F229-F231 HydrophobicContact CE2-CB 4.3Å; F229-F231 AromaticContact CE2-CD1 3.93Å; F229-F231 HydrophobicContact CE2-CD1 3.93Å
232S88.4Confident96Very high101 Ų10155.8 Ų55.871%0.70628%0.282SS*.  trans-139.60175.9-177.70000111.8M106 L107M106-S232 CarbonylContact C-O 3.51Å; M106-S232 WeakPolarHBondContact CA-O 3.17Å; L107-S232 PolarHBondContact N-O 2.91Å; L107-S232 PolarHBondContact O-N 3.36Å

Retrieved 232 of 232 residues in 47.3 ms (Link to these results)

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