A0A087XB56_POEFO Loading...

Syntrophin alpha 1

AlphaFold DB , UniProt , Accession A0A087XB56, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 487 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
1M31Very low65.5Low245 Ų245103.7 Ų103.7100%1.20762%0.621SS**  0101.40-94.5-172.3-107.600107.8A3M1-A3 PolarHBondContact O-N 3.2Å
2A32.2Very low67.9Low105 Ų105104.8 Ų104.887%0.86862%0.62SS**  trans-74.9109.5168.900000106.7A4A2-A4 PolarHBondContact O-N 3.41Å; A2-A4 VanDerWaalsContact O-N 3.12Å
3A36.2Very low69.9Low93 Ų9397.2 Ų97.277%0.76958%0.575SS**  trans-61.3115.3170.300000107.1M1 M5M1-A3 PolarHBondContact O-N 3.2Å; A3-M5 PolarHBondContact O-N 3.46Å
4A48.3Very low71.5Confident99 Ų9993.1 Ų93.182%0.81855%0.547SS*.  trans-59.9114.2174.500000107.7A2 K6A2-A4 PolarHBondContact O-N 3.41Å; A2-A4 VanDerWaalsContact O-N 3.12Å; A4-K6 PolarHBondContact O-N 3.16Å
5M60Low72.7Confident114 Ų11487 Ų8756%0.56251%0.511SS*.PPolyproline II helixtrans-57.2128.5175.7-65.9174.710600108.1A3 A7 T30 D32A3-M5 PolarHBondContact O-N 3.46Å; M5-A7 PolarHBondContact O-N 2.97Å; M5-T30 HydrophobicContact CB-CG2 4.26Å; M5-D32 WeakPolarHBondContact CE-OD1 3.2Å; M5-D32 VanDerWaalsContact CE-OD2 3.31Å; M5-D32 WeakPolarHBondContact CE-OD2 3.35Å
6K73.2Confident73.7Confident183 Ų18385.3 Ų85.380%0.79649%0.493SS*.PPolyproline II helixtrans-64120.7-174.4-170.9177.8179.2-177.80109.1A4 Q8A4-K6 PolarHBondContact O-N 3.16Å; K6-Q8 PolarHBondContact O-N 2.87Å
7A74.3Confident74.1Confident46 Ų4682.7 Ų82.738%0.3848%0.477SS..PPolyproline II helixtrans-66.1125.6177.800000110.2M5 T10 T28M5-A7 PolarHBondContact O-N 2.97Å; A7-T10 HydrophobicContact CB-CG2 3.79Å; A7-T28 HydrophobicContact CB-CG2 3.8Å
8Q85.3Confident74.2Confident101 Ų10182.7 Ų82.747%0.47248%0.479SS..SBendtrans-77.6-35174.7-68.4-172.1-31.100111.2K6 L29 T30 E31K6-Q8 PolarHBondContact O-N 2.87Å; Q8-L29 PolarHBondContact N-O 3.18Å; Q8-T30 PolarHBondContact OE1-O 3.16Å; Q8-E31 HydrophobicContact CG-CG 4.27Å
9K92.9Very high73.9Confident45 Ų4581.8 Ų81.820%0.19647%0.474CS..EExtended strand (participates in β ladder)trans-153.5134.9179-173.2172175.7178.10110.5L29 S247 W248 A251K9-L29 HydrophobicContact CB-CB 4.15Å; K9-L29 HydrophobicContact CB-CD2 4.4Å; K9-L29 PolarHBondContact N-O 2.67Å; K9-L29 PolarHBondContact O-N 3.16Å; K9-S247 PolarHBondContact NZ-O 3.09Å; K9-S247 VanDerWaalsContact NZ-O 3.09Å; K9-S247 PolarHBondContact NZ-OG 2.74Å; K9-W248 HydrophobicContact CB-CH2 4.45Å; K9-W248 HydrophobicContact CD-CD2 4.16Å; K9-W248 HydrophobicContact CD-CE3 4.17Å; K9-W248 HydrophobicContact CD-CH2 4.36Å; K9-W248 HydrophobicContact CD-CZ2 4.34Å; K9-W248 HydrophobicContact CD-CZ3 4.29Å; K9-W248 HydrophobicContact CG-CH2 3.97Å; K9-W248 HydrophobicContact CG-CZ2 4.08Å; K9-W248 HydrophobicContact CG-CZ3 4.27Å; K9-W248 VanDerWaalsContact NZ-N 3.19Å; K9-A251 HydrophobicContact CD-CB 4.06Å
10T94.3Very high73.8Confident88 Ų8885.1 Ų85.154%0.5449%0.49SS..EExtended strand (participates in β ladder)trans-128.3148.2172.553.10000109.8A7 A27 T28A7-T10 HydrophobicContact CB-CG2 3.79Å; T10-A27 CarbonylContact C-O 3.52Å; T10-A27 VanDerWaalsContact CA-O 3.29Å; T10-A27 WeakPolarHBondContact CA-O 3.39Å; T10-T28 HydrophobicContact CG2-CG2 3.85Å
11G93.1Very high74.2Confident22 Ų2287.5 Ų87.523%0.22749%0.491CS..EExtended strand (participates in β ladder)trans177.1162.9176.600000113.5A27G11-A27 PolarHBondContact N-O 2.93Å; G11-A27 PolarHBondContact O-N 2.8Å
12L94.3Very high76.8Confident117 Ų11778.5 Ų78.561%0.61344%0.444SS*.EExtended strand (participates in β ladder)trans-79131.3177.3-65172.7000110.2V25 L26L12-V25 WeakPolarHBondContact CA-O 3.49Å; L12-L26 HydrophobicContact CD2-CB 4.49Å; L12-L26 HydrophobicContact CD2-CD1 4.24Å
13L94Very high79.6Confident5 Ų575.2 Ų75.23%0.02641%0.411CS..EExtended strand (participates in β ladder)trans-130.9173.5171.7-67.8178.9000108.9V25 A27 F224 L237 A239 W248L13-V25 HydrophobicContact CB-CG2 4.08Å; L13-V25 PolarHBondContact N-O 2.86Å; L13-V25 VanDerWaalsContact O-CG2 3.26Å; L13-V25 WeakPolarHBondContact O-CG2 3.44Å; L13-V25 PolarHBondContact O-N 2.88Å; L13-A27 HydrophobicContact CB-CB 4.46Å; L13-A27 HydrophobicContact CD1-CB 3.63Å; L13-A27 HydrophobicContact CG-CB 4.08Å; L13-F224 HydrophobicContact CD1-CZ 3.79Å; L13-L237 HydrophobicContact CB-CD2 4.48Å; L13-L237 HydrophobicContact CD1-CB 4.42Å; L13-L237 HydrophobicContact CD1-CD1 4.13Å; L13-L237 HydrophobicContact CD1-CD2 4.43Å; L13-A239 HydrophobicContact CD2-CB 3.96Å; L13-W248 HydrophobicContact CD1-CD2 4.11Å; L13-W248 HydrophobicContact CD1-CE3 4.5Å; L13-W248 HydrophobicContact CD1-CG 4.39Å; L13-W248 HydrophobicContact CD1-CZ2 4.41Å; L13-W248 HydrophobicContact CD2-CG 4.42Å
14E91.8Very high82.2Confident40 Ų4079.8 Ų79.819%0.18741%0.409CS..EExtended strand (participates in β ladder)trans-112.7128.1168.7-68.3170.6119.300109.4W22 I23 R24 L237 R238E14-W22 HydrophobicContact CB-CE3 3.89Å; E14-W22 WeakPolarHBondContact O-CZ3 3.4Å; E14-I23 CarbonylContact C-O 3.56Å; E14-I23 WeakPolarHBondContact CA-O 3.48Å; E14-R24 HydrophobicContact CG-CG 4.11Å; E14-L237 CarbonylContact O-C 3.5Å; E14-L237 VanDerWaalsContact O-CA 3.31Å; E14-L237 WeakPolarHBondContact O-CA 3.38Å; E14-R238 HydrophobicContact CB-CB 4.21Å; E14-R238 PolarHBondContact N-O 3.19Å; E14-R238 PolarHBondContact O-N 3.18Å; E14-R238 IonicContact OE1-CZ 3.67Å; E14-R238 IonicContact OE1-NH2 2.87Å; E14-R238 PolarHBondContact OE1-NH2 3.42Å; E14-R238 IonicContact OE2-CZ 2.67Å; E14-R238 IonicContact OE2-NE 3.92Å; E14-R238 PolarHBondContact OE2-NE 2.92Å; E14-R238 IonicContact OE2-NH2 3.65Å; E14-R238 PolarHBondContact OE2-NH2 2.87Å
15L90.6Very high84.3Confident2 Ų275.1 Ų75.11%0.0137%0.37CS..EExtended strand (participates in β ladder)trans-100.4130.4177174.670.3000109.4L17 W22 I23 V25 V36 M235 L237L15-L17 HydrophobicContact CD2-CD2 3.85Å; L15-L17 HydrophobicContact CG-CD2 4.15Å; L15-W22 WeakPolarHBondContact O-CA 3.29Å; L15-I23 HydrophobicContact CB-CG1 4.17Å; L15-I23 PolarHBondContact N-O 2.82Å; L15-I23 PolarHBondContact O-N 3.32Å; L15-V25 HydrophobicContact CB-CB 4.48Å; L15-V25 HydrophobicContact CB-CG1 3.7Å; L15-V25 HydrophobicContact CB-CG2 3.91Å; L15-V25 HydrophobicContact CD2-CG1 4.37Å; L15-V36 HydrophobicContact CB-CG1 4.5Å; L15-V36 HydrophobicContact CD2-CG1 4.28Å; L15-M235 HydrophobicContact CD1-CB 4Å; L15-M235 HydrophobicContact CD1-CG 4.23Å; L15-L237 HydrophobicContact CB-CD2 4.13Å; L15-L237 HydrophobicContact CD1-CD2 3.85Å
16R87.9Confident85.9Confident60 Ų6073.2 Ų73.223%0.22636%0.362CS..EExtended strand (participates in β ladder)trans-80.3123173.2-166.6177.8-173-176.712.6110.5T18 V19 W22 E214 F236R16-T18 WeakPolarHBondContact CG-O 3.4Å; R16-T18 PolarHBondContact NE-O 2.92Å; R16-V19 PolarHBondContact NE-O 2.85Å; R16-V19 VanDerWaalsContact NE-O 3.09Å; R16-V19 PolarHBondContact NH2-O 2.9Å; R16-W22 HydrophobicContact CB-CD2 4.04Å; R16-W22 HydrophobicContact CB-CE3 3.83Å; R16-W22 HydrophobicContact CB-CH2 3.92Å; R16-W22 HydrophobicContact CB-CZ2 4.06Å; R16-W22 HydrophobicContact CB-CZ3 3.75Å; R16-W22 HydrophobicContact CG-CD2 4.29Å; R16-W22 HydrophobicContact CG-CH2 4.45Å; R16-W22 HydrophobicContact CG-CZ2 4.1Å; R16-E214 IonicContact CZ-OE1 3.38Å; R16-E214 IonicContact NH1-OE1 2.87Å; R16-E214 PolarHBondContact NH1-OE1 3.42Å; R16-E214 IonicContact NH2-OE1 2.69Å; R16-F236 HydrophobicContact CB-CB 4.07Å; R16-F236 HydrophobicContact CB-CD1 3.87Å; R16-F236 HydrophobicContact CB-CG 4.44Å; R16-F236 HydrophobicContact CG-CD1 4.37Å; R16-F236 PolarHBondContact N-O 2.86Å
17L80.3Confident87Confident41 Ų4164.5 Ų64.522%0.21532%0.324CS..EExtended strand (participates in β ladder)trans-97.8-40.9176-60-174.1000112L15 R21 I23 V197L15-L17 HydrophobicContact CD2-CD2 3.85Å; L15-L17 HydrophobicContact CG-CD2 4.15Å; L17-R21 PolarHBondContact N-O 3.31Å; L17-I23 HydrophobicContact CD1-CD1 3.94Å; L17-I23 HydrophobicContact CD1-CG1 4Å; L17-I23 HydrophobicContact CD1-CG2 3.69Å; L17-I23 HydrophobicContact CD2-CD1 4.07Å; L17-I23 HydrophobicContact CD2-CG1 4.19Å; L17-I23 HydrophobicContact CG-CD1 4.19Å; L17-I23 HydrophobicContact CG-CG1 3.96Å; L17-I23 HydrophobicContact CG-CG2 4.29Å; L17-V197 HydrophobicContact CD1-CG2 3.68Å; L17-V197 HydrophobicContact CD2-CG2 3.66Å; L17-V197 HydrophobicContact CG-CG2 4.3Å
18T75.4Confident88Confident82 Ų8263.8 Ų63.850%0.50332%0.315SS..EExtended strand (participates in β ladder)trans-137.9175.9173.466.10000108.5R16 D20 R21R16-T18 WeakPolarHBondContact CG-O 3.4Å; R16-T18 PolarHBondContact NE-O 2.92Å; T18-D20 PolarHBondContact O-N 2.87Å; T18-R21 PolarHBondContact O-N 2.91Å; T18-R21 WeakPolarHBondContact OG1-CB 3.28Å; T18-R21 PolarHBondContact OG1-N 3.04Å
19V70Confident88.5Confident66 Ų6659 Ų5940%0.429%0.292SS..THydrogen-bonded Turntrans-50.6-40.1-174.4175.50000112.5R16R16-V19 PolarHBondContact NE-O 2.85Å; R16-V19 VanDerWaalsContact NE-O 3.09Å; R16-V19 PolarHBondContact NH2-O 2.9Å
20D71.3Confident88.6Confident148 Ų14857.4 Ų57.479%0.79129%0.286SS*.THydrogen-bonded Turntrans-111.1-3.2-175.4-53.5-56.2000113.8T18T18-D20 PolarHBondContact O-N 2.87Å
21R81.5Confident88.5Confident135 Ų13558.8 Ų58.851%0.50929%0.287SS..EExtended strand (participates in β ladder)trans-108.5118.6-176-168.8178.7175.3-174.60.3111.8L17 T18L17-R21 PolarHBondContact N-O 3.31Å; T18-R21 PolarHBondContact O-N 2.91Å; T18-R21 WeakPolarHBondContact OG1-CB 3.28Å; T18-R21 PolarHBondContact OG1-N 3.04Å
22W86.7Confident88.5Confident57 Ų5760.3 Ų60.322%0.21629%0.29CS..EExtended strand (participates in β ladder)trans-115.3140.8172.9-65.984.6000109.9E14 L15 R16 Y223 F236 R238E14-W22 HydrophobicContact CB-CE3 3.89Å; E14-W22 WeakPolarHBondContact O-CZ3 3.4Å; L15-W22 WeakPolarHBondContact O-CA 3.29Å; R16-W22 HydrophobicContact CB-CD2 4.04Å; R16-W22 HydrophobicContact CB-CE3 3.83Å; R16-W22 HydrophobicContact CB-CH2 3.92Å; R16-W22 HydrophobicContact CB-CZ2 4.06Å; R16-W22 HydrophobicContact CB-CZ3 3.75Å; R16-W22 HydrophobicContact CG-CD2 4.29Å; R16-W22 HydrophobicContact CG-CH2 4.45Å; R16-W22 HydrophobicContact CG-CZ2 4.1Å; W22-Y223 HydrophobicContact CH2-CD1 4.46Å; W22-F236 AromaticContact CH2-CD1 3.37Å; W22-F236 HydrophobicContact CH2-CD1 3.37Å; W22-F236 AromaticContact CH2-CE1 3.4Å; W22-F236 HydrophobicContact CH2-CE1 3.4Å; W22-F236 VanDerWaalsContact CH2-CE1 3.4Å; W22-F236 AromaticContact CZ2-CD1 3.98Å; W22-F236 HydrophobicContact CZ2-CD1 3.98Å; W22-F236 AromaticContact CZ2-CE1 3.85Å; W22-F236 HydrophobicContact CZ2-CE1 3.85Å; W22-F236 HydrophobicContact CZ3-CD1 4.11Å; W22-F236 HydrophobicContact CZ3-CE1 4.48Å; W22-R238 HydrophobicContact CE3-CB 3.95Å; W22-R238 HydrophobicContact CH2-CB 3.63Å; W22-R238 HydrophobicContact CZ3-CB 3.3Å
23I89.5Confident88.6Confident35 Ų3556.1 Ų56.118%0.17927%0.269CS..EExtended strand (participates in β ladder)trans-123.4144.8173.658.9158.2000110E14 L15 L17 V25 P38E14-I23 CarbonylContact C-O 3.56Å; E14-I23 WeakPolarHBondContact CA-O 3.48Å; L15-I23 HydrophobicContact CB-CG1 4.17Å; L15-I23 PolarHBondContact N-O 2.82Å; L15-I23 PolarHBondContact O-N 3.32Å; L17-I23 HydrophobicContact CD1-CD1 3.94Å; L17-I23 HydrophobicContact CD1-CG1 4Å; L17-I23 HydrophobicContact CD1-CG2 3.69Å; L17-I23 HydrophobicContact CD2-CD1 4.07Å; L17-I23 HydrophobicContact CD2-CG1 4.19Å; L17-I23 HydrophobicContact CG-CD1 4.19Å; L17-I23 HydrophobicContact CG-CG1 3.96Å; L17-I23 HydrophobicContact CG-CG2 4.29Å; I23-V25 HydrophobicContact CD1-CG1 3.76Å; I23-V25 HydrophobicContact CG1-CG1 3.87Å; I23-P38 HydrophobicContact CD1-CB 4.42Å
24R91.4Very high88.7Confident190 Ų19055.9 Ų55.972%0.71727%0.267SS*.EExtended strand (participates in β ladder)trans-73.7134.2171.5-72.5-177.4177.9179.21.1109.6E14 G39E14-R24 HydrophobicContact CG-CG 4.11Å; R24-G39 PolarHBondContact O-N 2.91Å; R24-G39 VanDerWaalsContact O-N 3.14Å
25V93.2Very high88.8Confident1 Ų155.1 Ų55.11%0.00627%0.266CS..EExtended strand (participates in β ladder)trans-137.3146.5-175.2-64.70000110.2L12 L13 L15 I23 V36 N37L12-V25 WeakPolarHBondContact CA-O 3.49Å; L13-V25 HydrophobicContact CB-CG2 4.08Å; L13-V25 PolarHBondContact N-O 2.86Å; L13-V25 VanDerWaalsContact O-CG2 3.26Å; L13-V25 WeakPolarHBondContact O-CG2 3.44Å; L13-V25 PolarHBondContact O-N 2.88Å; L15-V25 HydrophobicContact CB-CB 4.48Å; L15-V25 HydrophobicContact CB-CG1 3.7Å; L15-V25 HydrophobicContact CB-CG2 3.91Å; L15-V25 HydrophobicContact CD2-CG1 4.37Å; I23-V25 HydrophobicContact CD1-CG1 3.76Å; I23-V25 HydrophobicContact CG1-CG1 3.87Å; V25-V36 HydrophobicContact CB-CG1 3.34Å; V25-V36 HydrophobicContact CG1-CG1 3.68Å; V25-V36 HydrophobicContact CG2-CG1 3.36Å; V25-N37 CarbonylContact C-O 3.53Å; V25-N37 WeakPolarHBondContact CA-O 3.44Å; V25-N37 VanDerWaalsContact CB-O 3.29Å; V25-N37 WeakPolarHBondContact CB-O 3.2Å
26L94.1Very high89Confident74 Ų7455.1 Ų55.139%0.38727%0.266SS..EExtended strand (participates in β ladder)trans-89.5110.2167.8-177.666.1000108.4L12 N37L12-L26 HydrophobicContact CD2-CB 4.49Å; L12-L26 HydrophobicContact CD2-CD1 4.24Å; L26-N37 PolarHBondContact N-O 3.13Å; L26-N37 PolarHBondContact O-N 3.25Å
27A95.1Very high89.1Confident0 Ų054.9 Ų54.90%027%0.269CS..EExtended strand (participates in β ladder)trans-90.9135174.600000110.5T10 G11 L13 T35 V36 W248T10-A27 CarbonylContact C-O 3.52Å; T10-A27 VanDerWaalsContact CA-O 3.29Å; T10-A27 WeakPolarHBondContact CA-O 3.39Å; G11-A27 PolarHBondContact N-O 2.93Å; G11-A27 PolarHBondContact O-N 2.8Å; L13-A27 HydrophobicContact CB-CB 4.46Å; L13-A27 HydrophobicContact CD1-CB 3.63Å; L13-A27 HydrophobicContact CG-CB 4.08Å; A27-T35 CarbonylContact C-O 3.55Å; A27-T35 WeakPolarHBondContact CA-O 3.16Å; A27-V36 HydrophobicContact CB-CG2 4.31Å; A27-W248 HydrophobicContact CB-CH2 3.79Å; A27-W248 HydrophobicContact CB-CZ2 4.16Å; A27-W248 HydrophobicContact CB-CZ3 4.27Å
28T95.8Very high89.1Confident30 Ų3055.3 Ų55.318%0.18427%0.274CS..EExtended strand (participates in β ladder)trans-130118.1178.5-60.70000108.6A7 T10 T35A7-T28 HydrophobicContact CB-CG2 3.8Å; T10-T28 HydrophobicContact CG2-CG2 3.85Å; T28-T35 PolarHBondContact N-O 2.91Å; T28-T35 PolarHBondContact O-N 3.35Å
29L96.1Very high88.5Confident1 Ų153.4 Ų53.41%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-97.9122173.6-174.867.4000109.3Q8 K9 L34 L205 W248 A251 I252Q8-L29 PolarHBondContact N-O 3.18Å; K9-L29 HydrophobicContact CB-CB 4.15Å; K9-L29 HydrophobicContact CB-CD2 4.4Å; K9-L29 PolarHBondContact N-O 2.67Å; K9-L29 PolarHBondContact O-N 3.16Å; L29-L34 HydrophobicContact CB-CD1 4.48Å; L29-L34 HydrophobicContact CD1-CB 4.37Å; L29-L34 HydrophobicContact CD1-CD1 4.3Å; L29-L205 HydrophobicContact CD1-CD1 3.56Å; L29-L205 HydrophobicContact CD1-CD2 3.99Å; L29-L205 HydrophobicContact CD1-CG 4.36Å; L29-W248 HydrophobicContact CB-CZ3 3.98Å; L29-A251 HydrophobicContact CD2-CB 3.73Å; L29-I252 HydrophobicContact CD1-CG1 4.05Å; L29-I252 HydrophobicContact CD2-CG1 4.32Å
30T94.8Very high87.5Confident11 Ų1159.4 Ų59.47%0.06730%0.295CS..  trans-102.1-176.3167.166.60000109.7M5 Q8 D32 T33 L205M5-T30 HydrophobicContact CB-CG2 4.26Å; Q8-T30 PolarHBondContact OE1-O 3.16Å; T30-D32 PolarHBondContact O-N 3.48Å; T30-D32 PolarHBondContact OG1-N 3.11Å; T30-D32 PolarHBondContact OG1-OD1 3.33Å; T30-T33 PolarHBondContact N-O 2.81Å; T30-T33 PolarHBondContact OG1-N 2.77Å; T30-T33 PolarHBondContact OG1-O 2.84Å; T30-T33 PolarHBondContact OG1-OG1 3.41Å; T30-L205 WeakPolarHBondContact O-CD1 3.45Å
31E91.4Very high86.1Confident118 Ų11855.8 Ų55.855%0.55129%0.293SS*.SBendtrans-62-27.2175.9-64.8-179.5172.800112.9Q8Q8-E31 HydrophobicContact CG-CG 4.27Å
32D93.8Very high83.8Confident54 Ų5454.1 Ų54.129%0.28931%0.308SS..SBendtrans-130.2-11.2-168.767.4-25.8000115M5 T30 L205M5-D32 WeakPolarHBondContact CE-OD1 3.2Å; M5-D32 VanDerWaalsContact CE-OD2 3.31Å; M5-D32 WeakPolarHBondContact CE-OD2 3.35Å; T30-D32 PolarHBondContact O-N 3.48Å; T30-D32 PolarHBondContact OG1-N 3.11Å; T30-D32 PolarHBondContact OG1-OD1 3.33Å; D32-L205 WeakPolarHBondContact O-CB 3.36Å; D32-L205 PolarHBondContact O-N 3.28Å
33T95.9Very high81.3Confident28 Ų2860.4 Ų60.417%0.17234%0.339CS..EExtended strand (participates in β ladder)trans-140.3149-178.869.80000113.3T30 I202 I203T30-T33 PolarHBondContact N-O 2.81Å; T30-T33 PolarHBondContact OG1-N 2.77Å; T30-T33 PolarHBondContact OG1-O 2.84Å; T30-T33 PolarHBondContact OG1-OG1 3.41Å; T33-I202 HydrophobicContact CG2-CG2 4.13Å; T33-I203 WeakPolarHBondContact CA-O 3.39Å
34L96.2Very high78.6Confident0 Ų067.2 Ų67.20%037%0.37CS..EExtended strand (participates in β ladder)trans-105.8115.1160.9177.366.1000108.4L29 V36 I202 I203 L205 V226 L237 W248 I252L29-L34 HydrophobicContact CB-CD1 4.48Å; L29-L34 HydrophobicContact CD1-CB 4.37Å; L29-L34 HydrophobicContact CD1-CD1 4.3Å; L34-V36 HydrophobicContact CG-CG2 4.46Å; L34-I202 WeakPolarHBondContact O-CA 3.43Å; L34-I203 PolarHBondContact N-O 2.79Å; L34-I203 PolarHBondContact O-N 2.84Å; L34-L205 HydrophobicContact CB-CD2 4.01Å; L34-V226 HydrophobicContact CD2-CB 4.21Å; L34-V226 HydrophobicContact CD2-CG1 4.23Å; L34-V226 HydrophobicContact CD2-CG2 3.79Å; L34-L237 HydrophobicContact CD2-CD1 4.05Å; L34-W248 HydrophobicContact CD1-CZ3 4.12Å; L34-I252 HydrophobicContact CD2-CD1 4.07Å
35T94.9Very high75.7Confident24 Ų2463.7 Ų63.715%0.14737%0.372CS..EExtended strand (participates in β ladder)trans-108.4134.1177.5-60.60000110.1A27 T28 P200 R201 I202A27-T35 CarbonylContact C-O 3.55Å; A27-T35 WeakPolarHBondContact CA-O 3.16Å; T28-T35 PolarHBondContact N-O 2.91Å; T28-T35 PolarHBondContact O-N 3.35Å; T35-P200 HydrophobicContact CG2-CB 4.16Å; T35-R201 CarbonylContact C-O 3.57Å; T35-R201 WeakPolarHBondContact CA-O 3.39Å; T35-I202 HydrophobicContact CG2-CG1 4Å
36V93.4Very high72.7Confident2 Ų268.5 Ų68.51%0.01241%0.412CS..EExtended strand (participates in β ladder)trans-124.1114.7179.2178.70000108.5L15 V25 A27 L34 P200 R201 M235 L237L15-V36 HydrophobicContact CB-CG1 4.5Å; L15-V36 HydrophobicContact CD2-CG1 4.28Å; V25-V36 HydrophobicContact CB-CG1 3.34Å; V25-V36 HydrophobicContact CG1-CG1 3.68Å; V25-V36 HydrophobicContact CG2-CG1 3.36Å; A27-V36 HydrophobicContact CB-CG2 4.31Å; L34-V36 HydrophobicContact CG-CG2 4.46Å; V36-P200 WeakPolarHBondContact O-CA 3.37Å; V36-R201 PolarHBondContact N-O 3.27Å; V36-R201 PolarHBondContact O-N 2.85Å; V36-M235 HydrophobicContact CB-SD 3.83Å; V36-M235 HydrophobicContact CG2-CE 4.43Å; V36-M235 HydrophobicContact CG2-SD 3.47Å; V36-M235 WeakPolarHBondContact CG2-SD 3.47Å; V36-L237 HydrophobicContact CG2-CD2 4.37Å
37N89.8Confident69.7Low56 Ų5674.4 Ų74.430%0.29943%0.434SS..EExtended strand (participates in β ladder)trans-99.9130.5178.2-59.5-80.1000109.3V25 L26 G39 P200V25-N37 CarbonylContact C-O 3.53Å; V25-N37 WeakPolarHBondContact CA-O 3.44Å; V25-N37 VanDerWaalsContact CB-O 3.29Å; V25-N37 WeakPolarHBondContact CB-O 3.2Å; L26-N37 PolarHBondContact N-O 3.13Å; L26-N37 PolarHBondContact O-N 3.25Å; N37-G39 PolarHBondContact O-N 3.05Å; N37-P200 WeakPolarHBondContact OD1-CB 3.47Å
38P80.6Confident66.6Low49 Ų4980 Ų8032%0.31847%0.471SS..EExtended strand (participates in β ladder)trans-56.1123.7167.524.1-30000108.2I23 E40I23-P38 HydrophobicContact CD1-CB 4.42Å; P38-E40 PolarHBondContact O-N 3.17Å
39G62Low63.4Low43 Ų4386.2 Ų86.244%0.44350%0.503SS..PPolyproline II helixtrans-66.9119.5176.100000108.3R24 N37 G41R24-G39 PolarHBondContact O-N 2.91Å; R24-G39 VanDerWaalsContact O-N 3.14Å; N37-G39 PolarHBondContact O-N 3.05Å; G39-G41 PolarHBondContact O-N 2.88Å
40E49.6Very low60.3Low192 Ų19291.6 Ų91.690%0.89754%0.538SS*.PPolyproline II helixtrans-53.8128.5158-77.3-177.7155.400106.6P38 A42P38-E40 PolarHBondContact O-N 3.17Å; E40-A42 PolarHBondContact O-N 3.24Å
41G43.1Very low57.2Low72 Ų7296.5 Ų96.574%0.74257%0.573SS**  trans-52.711517300000107.6G39 E43G39-G41 PolarHBondContact O-N 2.88Å; G41-E43 PolarHBondContact O-N 3.35Å
42A32.4Very low54.5Low100 Ų10097.1 Ų97.183%0.82659%0.587SS**  trans-67.285.2164.200000106.5E40 E44E40-A42 PolarHBondContact O-N 3.24Å; A42-E44 PolarHBondContact O-N 3.23Å
43E33.7Very low51.3Low189 Ų18999.7 Ų99.788%0.88362%0.616SS**  trans-6493.3150.1-80.9-169156.700105.9G41G41-E43 PolarHBondContact O-N 3.35Å
44E32.4Very low48Very low177 Ų177102 Ų10283%0.82765%0.646SS**  trans-62.1127.6163-134-176.8162.500107.1A42 A46A42-E44 PolarHBondContact O-N 3.23Å; E44-A46 PolarHBondContact O-N 3.25Å
45P31.4Very low44.7Very low117 Ų117106.5 Ų106.576%0.7668%0.682SS**  trans-64114.9-179.523.5-30.3000109.1K47P45-K47 PolarHBondContact O-N 2.79Å
46A30.4Very low41.5Very low102 Ų102111.3 Ų111.384%0.84371%0.712SS**  trans-54.8111.5177.500000110.3E44E44-A46 PolarHBondContact O-N 3.25Å
47K31.5Very low38.3Very low197 Ų197119.2 Ų119.286%0.85775%0.754SS**  trans-76.6132.4160.1-75.5-178.3178.3175.30108P45P45-K47 PolarHBondContact O-N 2.79Å
48P30.3Very low35.2Very low117 Ų117120.1 Ų120.176%0.7678%0.776SS**  trans-76.2134.3178.132.3-30.5000108.1
49N27.9Very low32.8Very low161 Ų161125.2 Ų125.286%0.86180%0.801SS**  trans-141.8149158.5-102-10.5000111.2
50P31.4Very low31.3Very low114 Ų114128.9 Ų128.974%0.7482%0.817SS**  trans-85.7155-164.535.2-34.4000112.6
51S28.6Very low30.9Very low114 Ų114125 Ų12580%0.79781%0.808SS**  trans-62.7155.2166.1-34.70000111
52P35.2Very low30.2Very low131 Ų131129.1 Ų129.185%0.85181%0.813SS**  -147.417987.935.7-15.6000116.1
53A26.9Very low30.2Very low109 Ų109132 Ų13290%0.90181%0.814SS**  trans-70.3162.9-16300000118.4
54G26.1Very low30.2Very low77 Ų77126.9 Ų126.979%0.79480%0.799SS**  trans171.6111.8159.200000113.2
55A27.1Very low30.2Very low93 Ų93124 Ų12477%0.76980%0.799SS**  trans-61160.1177.400000112.9
56V26.8Very low30.5Very low126 Ų126122 Ų12276%0.76479%0.787SS**  -174.914468.5-740000113
57N27.1Very low31.2Very low167 Ų167122.7 Ų122.789%0.89378%0.783SS**  trans51.1125.8147.9-63.8-14.8000125
58G25.3Very low32Very low75 Ų75115.9 Ų115.977%0.77376%0.758SS**  trans153.291.6147.800000115.6
59D29.9Very low33Very low156 Ų156113.6 Ų113.683%0.83474%0.743SS**  trans16.5141.5168.8-70.9-51000123.4
60P30.6Very low34.1Very low120 Ų120114.3 Ų114.378%0.77974%0.741SS**  -144.6158.3111.738.4-24000115.3
61P41.2Very low35Very low111 Ų111114.5 Ų114.572%0.72174%0.74SS**  trans-116.8138.2130.233.7-24.1000107.5
62N27.5Very low36.2Very low159 Ų159110.5 Ų110.585%0.8571%0.71SS**  -175.6139.465.6-134.3-6.7000110.6
63L33.3Very low37Very low159 Ų159107 Ų10783%0.83269%0.687SS**  trans-71169.5155.6-64.1150000107.5
64S33.6Very low38.3Very low83 Ų83106.8 Ų106.858%0.5867%0.67SS**  cis-173.814726.330.10000107.6
65S32.9Very low40.1Very low117 Ų117106.7 Ų106.782%0.81865%0.654SS**  trans-122.699.4141.160.40000105.7
66S36.5Very low42.4Very low73 Ų73107.7 Ų107.751%0.5164%0.641SS.*PPolyproline II helixtrans-62.8127.3-174.6-62.20000110.7V68S66-V68 PolarHBondContact O-N 3.14Å
67P46.3Very low45Very low118 Ų118103.5 Ų103.577%0.76661%0.611SS**PPolyproline II helixtrans-65.7130.2172.225.9-30.4000109.2P69P67-P69 WeakPolarHBondContact O-CD 3.45Å
68V47.9Very low47.5Very low54 Ų54100.7 Ų100.733%0.32760%0.6SS.*PPolyproline II helixtrans-63.4122.4178.8-169.10000109.1S66 E70 I72 Y121S66-V68 PolarHBondContact O-N 3.14Å; V68-E70 PolarHBondContact O-N 2.86Å; V68-I72 HydrophobicContact CG1-CD1 3.12Å; V68-I72 HydrophobicContact CG1-CG1 3.72Å; V68-Y121 HydrophobicContact CB-CE1 4.36Å; V68-Y121 HydrophobicContact CG1-CD2 3.94Å; V68-Y121 HydrophobicContact CG1-CE1 4.32Å; V68-Y121 HydrophobicContact CG1-CE2 3.64Å; V68-Y121 HydrophobicContact CG1-CG 4.39Å; V68-Y121 HydrophobicContact CG2-CD1 3.45Å; V68-Y121 VanDerWaalsContact CG2-CD1 3.45Å; V68-Y121 HydrophobicContact CG2-CD2 4.28Å; V68-Y121 HydrophobicContact CG2-CE1 3.37Å; V68-Y121 HydrophobicContact CG2-CE2 4.2Å; V68-Y121 HydrophobicContact CG2-CG 3.94Å
69P51.7Low50.3Low69 Ų6997.5 Ų97.545%0.44857%0.566SS.*PPolyproline II helixtrans-61.3134.6-179.2-2333.1000111.8P67 T71 I72P67-P69 WeakPolarHBondContact O-CD 3.45Å; P69-T71 PolarHBondContact O-N 3.08Å; P69-I72 WeakPolarHBondContact O-CG1 3.1Å; P69-I72 PolarHBondContact O-N 2.88Å
70E49.5Very low52.7Low175 Ų17597.5 Ų97.582%0.81855%0.554SS**G310 helixtrans-60.1-12.4-179.1-65.3-175.9145.100113.8V68 I72 T73V68-E70 PolarHBondContact O-N 2.86Å; E70-I72 VanDerWaalsContact C-N 3.34Å; E70-I72 PolarHBondContact O-N 2.8Å; E70-T73 PolarHBondContact O-OG1 2.8Å
71T51.4Low55.3Low118 Ų11891.8 Ų91.872%0.72452%0.517SS*.G310 helixtrans-75.1-7.4178.848.40000115.6P69P69-T71 PolarHBondContact O-N 3.08Å
72I53.8Low57.1Low30 Ų3089.7 Ų89.715%0.15450%0.502CS..G310 helixtrans-104.8-1.7-176.474.4174.4000115V68 P69 E70 N74 V75 Y121V68-I72 HydrophobicContact CG1-CD1 3.12Å; V68-I72 HydrophobicContact CG1-CG1 3.72Å; P69-I72 WeakPolarHBondContact O-CG1 3.1Å; P69-I72 PolarHBondContact O-N 2.88Å; E70-I72 VanDerWaalsContact C-N 3.34Å; E70-I72 PolarHBondContact O-N 2.8Å; I72-N74 PolarHBondContact O-N 3Å; I72-V75 PolarHBondContact O-N 3.02Å; I72-Y121 HydrophobicContact CD1-CD2 4.06Å; I72-Y121 HydrophobicContact CD1-CE2 3.64Å
73T52.5Low59.6Low59 Ų5983.8 Ų83.836%0.36247%0.469SS..BIsolated β-bridgetrans-64.7128.2178.755.20000109.8E70 V75 Y159 K161E70-T73 PolarHBondContact O-OG1 2.8Å; T73-V75 VanDerWaalsContact C-N 3.27Å; T73-V75 PolarHBondContact O-N 3.32Å; T73-Y159 HydrophobicContact CG2-CD1 4.1Å; T73-Y159 HydrophobicContact CG2-CE1 4.45Å; T73-K161 HydrophobicContact CG2-CD 4.38Å
74N54.2Low61.5Low103 Ų10379.1 Ų79.155%0.55144%0.443SS*.THydrogen-bonded Turntrans64.87-174.7-73.6-38.4000118.3I72 K158 Y159I72-N74 PolarHBondContact O-N 3Å; N74-K158 VanDerWaalsContact CA-CE 3.46Å; N74-K158 VanDerWaalsContact O-CE 3.27Å; N74-K158 WeakPolarHBondContact O-CE 3.41Å; N74-K158 WeakPolarHBondContact OD1-CE 3.35Å; N74-Y159 PolarHBondContact N-O 3.14Å
75V63.6Low62.9Low75 Ų7582.4 Ų82.446%0.45545%0.454SS..  trans-90.8133.9174.6-175.90000110.5I72 T73I72-V75 PolarHBondContact O-N 3.02Å; T73-V75 VanDerWaalsContact C-N 3.27Å; T73-V75 PolarHBondContact O-N 3.32Å
76K74.6Confident64Low114 Ų11482.7 Ų82.750%0.49645%0.451SS..EExtended strand (participates in β ladder)trans-71.4126.4172.5-72.5175.6158.2-137.90109.6L127 E156K76-L127 HydrophobicContact CD-CD1 4.3Å; K76-L127 HydrophobicContact CG-CD1 3.91Å; K76-E156 WeakPolarHBondContact CD-OE1 3.28Å; K76-E156 WeakPolarHBondContact CE-OE1 3.44Å; K76-E156 IonicContact NZ-OE1 3.91Å; K76-E156 PolarHBondContact NZ-OE1 3.08Å
77R81.1Confident65.2Low39 Ų3981.6 Ų81.615%0.14745%0.451CS..EExtended strand (participates in β ladder)trans-121.3130.9-178.7-63.4-178.1-68.8131.56.7109.2A119 D124 E156 V157R77-A119 PolarHBondContact NH1-O 2.81Å; R77-D124 IonicContact CZ-OD1 2.91Å; R77-D124 IonicContact CZ-OD2 2.54Å; R77-D124 IonicContact NH2-OD1 3.83Å; R77-D124 PolarHBondContact NH2-OD1 2.84Å; R77-D124 IonicContact NH2-OD2 3.61Å; R77-D124 PolarHBondContact NH2-OD2 2.8Å; R77-E156 CarbonylContact O-C 3.48Å; R77-E156 WeakPolarHBondContact O-CA 3.21Å; R77-V157 HydrophobicContact CB-CG2 4.1Å; R77-V157 PolarHBondContact N-O 3.44Å; R77-V157 PolarHBondContact O-N 3.5Å
78T80.5Confident66.7Low107 Ų10777.4 Ų77.466%0.65643%0.429SS*.EExtended strand (participates in β ladder)trans-97.8115.8173.5-57.50000108.2I154 L155T78-I154 HydrophobicContact CG2-CG2 3.42Å; T78-I154 VanDerWaalsContact CG2-CG2 3.42Å; T78-L155 CarbonylContact C-O 3.58Å; T78-L155 WeakPolarHBondContact CA-O 3.44Å
79V83.8Confident68.2Low9 Ų975.7 Ų75.76%0.05542%0.418CS..EExtended strand (participates in β ladder)trans-115.2125.4-177.1-176.20000109.4V81 A119 L120 L155 V157V79-V81 HydrophobicContact CG1-CG2 4.08Å; V79-A119 HydrophobicContact CB-CB 4.48Å; V79-A119 HydrophobicContact CG1-CB 3.72Å; V79-A119 HydrophobicContact CG2-CB 3.91Å; V79-L120 HydrophobicContact CB-CD2 4Å; V79-L120 HydrophobicContact CB-CG 4.47Å; V79-L120 HydrophobicContact CG1-CD2 4.1Å; V79-L120 HydrophobicContact CG1-CG 4.01Å; V79-L120 HydrophobicContact CG2-CD2 3.99Å; V79-L155 PolarHBondContact N-O 2.86Å; V79-L155 PolarHBondContact O-N 3.09Å; V79-V157 HydrophobicContact CG2-CG2 4.01Å
80R81.4Confident69.7Low155 Ų15572.8 Ų72.859%0.58540%0.401SS*.EExtended strand (participates in β ladder)trans-97.6123175.7176.6-175.4150.9163.310.1109.4E152 V153R80-E152 WeakPolarHBondContact CD-OE1 3.45Å; R80-E152 HydrophobicContact CG-CG 3.95Å; R80-E152 IonicContact CZ-OE1 3.27Å; R80-E152 IonicContact CZ-OE2 3.54Å; R80-E152 VanDerWaalsContact NE-CD 3.26Å; R80-E152 IonicContact NE-OE1 2.62Å; R80-E152 PolarHBondContact NE-OE1 3.05Å; R80-E152 IonicContact NE-OE2 2.66Å; R80-E152 IonicContact NH1-OE1 3.61Å; R80-E152 PolarHBondContact NH1-OE1 3.17Å; R80-E152 IonicContact NH2-OE1 2.78Å; R80-E152 PolarHBondContact NH2-OE1 3.24Å; R80-E152 IonicContact NH2-OE2 2.86Å; R80-E152 PolarHBondContact NH2-OE2 3.27Å; R80-E152 VanDerWaalsContact NH2-OE2 3.1Å; R80-V153 CarbonylContact C-O 3.51Å; R80-V153 WeakPolarHBondContact CA-O 3.33Å
81V84.3Confident71.5Confident0 Ų065.7 Ų65.70%037%0.368CS..EExtended strand (participates in β ladder)trans-121.1129.7179.1-167.60000109.5V79 L89 A113 T117 L120 V153 L155V79-V81 HydrophobicContact CG1-CG2 4.08Å; V81-L89 HydrophobicContact CB-CD1 3.63Å; V81-L89 HydrophobicContact CG1-CD1 3.38Å; V81-L89 HydrophobicContact CG2-CD1 4.2Å; V81-A113 HydrophobicContact CG1-CB 3.83Å; V81-T117 HydrophobicContact CB-CG2 4.23Å; V81-T117 HydrophobicContact CG1-CG2 3.98Å; V81-T117 HydrophobicContact CG2-CG2 3.97Å; V81-L120 HydrophobicContact CG2-CD1 3.9Å; V81-V153 PolarHBondContact N-O 3.34Å; V81-V153 PolarHBondContact O-N 3.39Å; V81-L155 HydrophobicContact CG2-CD1 4.13Å
82T79.3Confident73.1Confident68 Ų6862.2 Ų62.242%0.41735%0.349SS..EExtended strand (participates in β ladder)trans-98.4117.6175.6-520000108.8A113 K151T82-A113 VanDerWaalsContact O-CB 3.26Å; T82-A113 WeakPolarHBondContact O-CB 3.38Å; T82-K151 CarbonylContact C-O 3.56Å; T82-K151 VanDerWaalsContact CA-O 3.3Å; T82-K151 WeakPolarHBondContact CA-O 3.33Å; T82-K151 HydrophobicContact CG2-CG 4.04Å; T82-K151 WeakPolarHBondContact CG2-O 3.14Å
83K79.8Confident74.7Confident34 Ų3461.8 Ų61.815%0.14835%0.346CS..PPolyproline II helixtrans-63.3139.8-179.7-64.1-173.6-175.4179.20110.4L146 K147 T149 G150 K151 V153K83-L146 PolarHBondContact NZ-O 2.96Å; K83-K147 PolarHBondContact NZ-O 3.34Å; K83-T149 WeakPolarHBondContact CE-OG1 3.17Å; K83-T149 PolarHBondContact NZ-O 2.97Å; K83-T149 PolarHBondContact NZ-OG1 2.82Å; K83-G150 WeakPolarHBondContact CD-O 3.49Å; K83-G150 WeakPolarHBondContact CE-O 3.43Å; K83-K151 PolarHBondContact N-O 3.08Å; K83-V153 HydrophobicContact CD-CG2 4.19Å; K83-V153 HydrophobicContact CG-CG2 3.93Å
84Q73.6Confident76.2Confident61 Ų6164.8 Ų64.829%0.28535%0.354SS..BIsolated β-bridgetrans-88.4146.4170.7-68.717617.500110.5V86 G88 A113Q84-V86 PolarHBondContact O-N 3.23Å; Q84-G88 PolarHBondContact N-O 3.43Å; Q84-G88 PolarHBondContact O-N 2.76Å; Q84-A113 HydrophobicContact CG-CB 4.27Å
85D61.7Low77.6Confident152 Ų15260.2 Ų60.281%0.81333%0.332SS*.THydrogen-bonded Turntrans-62.3-25.4179.7-60.1-59.8000112
86V57Low78.3Confident123 Ų12356.7 Ų56.775%0.74531%0.31SS*.THydrogen-bonded Turntrans-116118.8172.7-175.30000108.7Q84Q84-V86 PolarHBondContact O-N 3.23Å
87G61.3Low78.5Confident51 Ų5156.6 Ų56.653%0.52631%0.31SS..THydrogen-bonded Turntrans94.9-5.7173.500000116.9
88G77.8Confident78.2Confident29 Ų2959.6 Ų59.630%0.29933%0.326SS..BIsolated β-bridgetrans65.3-137.617100000114.2Q84 A113Q84-G88 PolarHBondContact N-O 3.43Å; Q84-G88 PolarHBondContact O-N 2.76Å; G88-A113 WeakPolarHBondContact O-CB 3.37Å
89L79.8Confident77.8Confident18 Ų1858.8 Ų58.89%0.09432%0.317CS..THydrogen-bonded Turntrans-80.5-26.4-175.2-170.865000113.4V81 I91 A114 L146 V153 L155V81-L89 HydrophobicContact CB-CD1 3.63Å; V81-L89 HydrophobicContact CG1-CD1 3.38Å; V81-L89 HydrophobicContact CG2-CD1 4.2Å; L89-I91 HydrophobicContact CD2-CD1 3.55Å; L89-I91 HydrophobicContact CD2-CG1 3.81Å; L89-I91 HydrophobicContact CG-CD1 4.21Å; L89-I91 HydrophobicContact CG-CG1 4.1Å; L89-A114 WeakPolarHBondContact O-CB 3.46Å; L89-A114 PolarHBondContact O-N 2.99Å; L89-L146 HydrophobicContact CD2-CD2 3.86Å; L89-V153 HydrophobicContact CD1-CB 4.46Å; L89-V153 HydrophobicContact CD1-CG2 4.34Å; L89-L155 HydrophobicContact CD2-CD1 4.45Å
90G83Confident77.4Confident8 Ų867.9 Ų67.98%0.08236%0.356CS..  trans75.624.7175.700000116.5F109G90-F109 WeakPolarHBondContact O-CD2 3.44Å; G90-F109 PolarHBondContact O-N 3.39Å
91I86.9Confident77.2Confident27 Ų2763.7 Ų63.714%0.13834%0.344CS..EExtended strand (participates in β ladder)trans-121.2148.6173.264.3178.8000111.6L89 I93 I105 K107 I108 A114 L120 I126L89-I91 HydrophobicContact CD2-CD1 3.55Å; L89-I91 HydrophobicContact CD2-CG1 3.81Å; L89-I91 HydrophobicContact CG-CD1 4.21Å; L89-I91 HydrophobicContact CG-CG1 4.1Å; I91-I93 HydrophobicContact CD1-CG2 4.24Å; I91-I93 HydrophobicContact CG1-CG2 4.47Å; I91-I105 HydrophobicContact CB-CG2 4.3Å; I91-I105 HydrophobicContact CD1-CD1 4.32Å; I91-I105 HydrophobicContact CD1-CG1 4.42Å; I91-I105 HydrophobicContact CG2-CG2 4.41Å; I91-K107 CarbonylContact C-O 3.52Å; I91-K107 WeakPolarHBondContact CA-O 3.47Å; I91-I108 HydrophobicContact CG2-CG1 4.21Å; I91-A114 HydrophobicContact CG2-CB 3.25Å; I91-L120 HydrophobicContact CG2-CD1 4.4Å; I91-I126 HydrophobicContact CD1-CD1 4.07Å
92S85.4Confident77.1Confident45 Ų4565.6 Ų65.632%0.31536%0.356SS..EExtended strand (participates in β ladder)trans-108.7125.2169.9-177.70000108.8S106 K107S92-S106 VanDerWaalsContact C-OG 3.27Å; S92-S106 WeakPolarHBondContact CB-OG 3.41Å; S92-S106 WeakPolarHBondContact O-CA 3.42Å; S92-S106 PolarHBondContact O-N 2.8Å; S92-S106 PolarHBondContact O-OG 3.48Å; S92-S106 PolarHBondContact OG-OG 3.44Å; S92-S106 VanDerWaalsContact OG-OG 3.05Å; S92-K107 PolarHBondContact N-O 3.44Å; S92-K107 PolarHBondContact O-N 3.42Å
93I87.3Confident77.4Confident20 Ų2062.5 Ų62.510%0.10334%0.337CS..EExtended strand (participates in β ladder)trans-104151.1179.658.9161.5000112.1I91 I103 L104 I126 A142 V143 L146I91-I93 HydrophobicContact CD1-CG2 4.24Å; I91-I93 HydrophobicContact CG1-CG2 4.47Å; I93-I103 HydrophobicContact CB-CG2 4.08Å; I93-I103 HydrophobicContact CD1-CG2 3.78Å; I93-I103 HydrophobicContact CG2-CG2 4.26Å; I93-L104 CarbonylContact C-O 3.57Å; I93-L104 WeakPolarHBondContact CA-O 3.17Å; I93-I126 HydrophobicContact CG2-CD1 3.8Å; I93-A142 HydrophobicContact CD1-CB 4.01Å; I93-V143 HydrophobicContact CD1-CG2 3.79Å; I93-V143 HydrophobicContact CG1-CG2 4.27Å; I93-L146 HydrophobicContact CD1-CD1 3.79Å; I93-L146 HydrophobicContact CG1-CD1 4.47Å; I93-L146 HydrophobicContact CG2-CD1 4.1Å
94K83.3Confident77.8Confident123 Ų12361.1 Ų61.154%0.53533%0.331SS..EExtended strand (participates in β ladder)trans-134.6164170.9-76.9-171.4179.6-176.10109.4L104 F167K94-L104 PolarHBondContact N-O 2.82Å; K94-L104 PolarHBondContact O-N 3.37Å; K94-F167 HydrophobicContact CB-CE1 4.46Å; K94-F167 HydrophobicContact CD-CE1 4.16Å
95G83.4Confident78.5Confident7 Ų758.2 Ų58.27%0.07232%0.318CS..EExtended strand (participates in β ladder)trans92.8-179.7-176.500000112.3H139G95-H139 WeakPolarHBondContact O-CB 3.05Å; G95-H139 PolarHBondContact O-ND1 3.23Å
96G78.9Confident79.5Confident0 Ų052.1 Ų52.10%029%0.287CS..EExtended strand (participates in β ladder)trans151.2150.9-170.500000109.8E98 N99 K100 M101G96-E98 VanDerWaalsContact C-OE2 3.25Å; G96-E98 WeakPolarHBondContact CA-OE2 3.33Å; G96-E98 PolarHBondContact O-N 2.9Å; G96-E98 VanDerWaalsContact O-N 3.17Å; G96-N99 CarbonylContact O-C 3.26Å; G96-N99 WeakPolarHBondContact O-CA 3.34Å; G96-N99 PolarHBondContact O-N 2.86Å; G96-K100 PolarHBondContact O-N 2.84Å; G96-M101 CarbonylContact C-O 3.48Å; G96-M101 VanDerWaalsContact C-O 3.26Å; G96-M101 WeakPolarHBondContact CA-O 3.37Å; G96-M101 PolarHBondContact N-O 3.48Å; G96-M101 PolarHBondContact O-N 3.19Å; G96-M101 VanDerWaalsContact O-O 3.05Å
97K78.1Confident80.7Confident112 Ų11251.7 Ų51.749%0.48728%0.275SS..G310 helixtrans-52.4-36.6178.2177.5165.3176.9159.60112.9N99 K100 E136 A137K97-N99 PolarHBondContact O-N 3.37Å; K97-K100 PolarHBondContact O-N 2.93Å; K97-E136 HydrophobicContact CD-CB 4.42Å; K97-E136 WeakPolarHBondContact CD-O 3.46Å; K97-E136 WeakPolarHBondContact CE-OE2 3.34Å; K97-E136 IonicContact NZ-OE2 2.67Å; K97-E136 PolarHBondContact NZ-OE2 3.43Å; K97-A137 PolarHBondContact N-O 2.83Å
98E76.6Confident81.8Confident103 Ų10350.5 Ų50.548%0.48126%0.257SS..G310 helixtrans-61.8-26.2176.871.1-81.4-16500113.4G96 T138 H139G96-E98 VanDerWaalsContact C-OE2 3.25Å; G96-E98 WeakPolarHBondContact CA-OE2 3.33Å; G96-E98 PolarHBondContact O-N 2.9Å; G96-E98 VanDerWaalsContact O-N 3.17Å; E98-T138 WeakPolarHBondContact OE2-CA 3.4Å; E98-T138 WeakPolarHBondContact OE2-CB 3.45Å; E98-H139 WeakPolarHBondContact OE1-CB 3.48Å; E98-H139 PolarHBondContact OE1-N 3.42Å; E98-H139 VanDerWaalsContact OE1-N 3.1Å; E98-H139 PolarHBondContact OE2-N 3.15Å; E98-H139 VanDerWaalsContact OE2-N 3.13Å
99N72Confident82Confident90 Ų9053.3 Ų53.348%0.48126%0.26SS..G310 helixtrans-100.67.8178-66-59.4000112.7G96 K97 M101G96-N99 CarbonylContact O-C 3.26Å; G96-N99 WeakPolarHBondContact O-CA 3.34Å; G96-N99 PolarHBondContact O-N 2.86Å; K97-N99 PolarHBondContact O-N 3.37Å; N99-M101 HydrophobicContact CB-CE 3.99Å; N99-M101 PolarHBondContact O-N 3.03Å; N99-M101 VanDerWaalsContact O-N 3.12Å
100K74.3Confident81.9Confident199 Ų19961.5 Ų61.587%0.86530%0.296SS*.THydrogen-bonded Turntrans50.631-173.5-57.5-174.4179.6-175.10113.5G96 K97G96-K100 PolarHBondContact O-N 2.84Å; K97-K100 PolarHBondContact O-N 2.93Å
101M77.7Confident81.5Confident67 Ų6763.3 Ų63.333%0.3331%0.314SS..EExtended strand (participates in β ladder)trans-127.7139179.8-73.7-170.3-70.800109.8G96 N99G96-M101 CarbonylContact C-O 3.48Å; G96-M101 VanDerWaalsContact C-O 3.26Å; G96-M101 WeakPolarHBondContact CA-O 3.37Å; G96-M101 PolarHBondContact N-O 3.48Å; G96-M101 PolarHBondContact O-N 3.19Å; G96-M101 VanDerWaalsContact O-O 3.05Å; N99-M101 HydrophobicContact CB-CE 3.99Å; N99-M101 PolarHBondContact O-N 3.03Å; N99-M101 VanDerWaalsContact O-N 3.12Å
102P81Confident81.4Confident41 Ų4164.1 Ų64.127%0.26632%0.318SS..EExtended strand (participates in β ladder)trans-63.9159.5173.528.7-34.3000110.8L104 A125P102-L104 HydrophobicContact CG-CD1 4.46Å; P102-L104 HydrophobicContact CG-CG 4.32Å; P102-L104 WeakPolarHBondContact O-CG 3.33Å; P102-L104 PolarHBondContact O-N 3.33Å; P102-A125 HydrophobicContact CB-CB 4.47Å
103I86.4Confident81.2Confident2 Ų262.2 Ų62.21%0.0131%0.305CS..EExtended strand (participates in β ladder)trans-68.5113.4175.4-54.7-61.9000109.1I93 A125 I126 A142I93-I103 HydrophobicContact CB-CG2 4.08Å; I93-I103 HydrophobicContact CD1-CG2 3.78Å; I93-I103 HydrophobicContact CG2-CG2 4.26Å; I103-A125 CarbonylContact O-C 3.55Å; I103-A125 WeakPolarHBondContact O-CA 3.13Å; I103-I126 HydrophobicContact CG2-CB 4.38Å; I103-I126 HydrophobicContact CG2-CD1 4.34Å; I103-I126 PolarHBondContact O-N 2.76Å; I103-A142 HydrophobicContact CB-CB 4.47Å; I103-A142 HydrophobicContact CD1-CB 3.51Å; I103-A142 HydrophobicContact CG1-CB 3.66Å; I103-A142 HydrophobicContact CG2-CB 4.02Å
104L87.6Confident81Confident5 Ų561.2 Ų61.23%0.02630%0.3CS..EExtended strand (participates in β ladder)trans-117.1143.9-174.4-68.9159000111.9I93 K94 P102 S106 D124 A125 M163 F167I93-L104 CarbonylContact C-O 3.57Å; I93-L104 WeakPolarHBondContact CA-O 3.17Å; K94-L104 PolarHBondContact N-O 2.82Å; K94-L104 PolarHBondContact O-N 3.37Å; P102-L104 HydrophobicContact CG-CD1 4.46Å; P102-L104 HydrophobicContact CG-CG 4.32Å; P102-L104 WeakPolarHBondContact O-CG 3.33Å; P102-L104 PolarHBondContact O-N 3.33Å; L104-S106 PolarHBondContact O-N 3.35Å; L104-D124 CarbonylContact C-O 3.58Å; L104-D124 WeakPolarHBondContact CA-O 3.49Å; L104-A125 HydrophobicContact CD2-CB 3.72Å; L104-M163 HydrophobicContact CD1-CB 4.18Å; L104-M163 HydrophobicContact CD1-CG 4.1Å; L104-M163 HydrophobicContact CD2-CB 4.34Å; L104-F167 HydrophobicContact CB-CZ 3.92Å; L104-F167 HydrophobicContact CD1-CE2 4.46Å; L104-F167 HydrophobicContact CD1-CZ 4.35Å
105I88.5Confident80.9Confident0 Ų058.3 Ų58.30%029%0.29CS..EExtended strand (participates in β ladder)trans-75.2110170.4-57.2-178000109I91 I108 L120 G123 D124 I126I91-I105 HydrophobicContact CB-CG2 4.3Å; I91-I105 HydrophobicContact CD1-CD1 4.32Å; I91-I105 HydrophobicContact CD1-CG1 4.42Å; I91-I105 HydrophobicContact CG2-CG2 4.41Å; I105-I108 HydrophobicContact CG2-CD1 4.25Å; I105-I108 HydrophobicContact CG2-CG1 3.68Å; I105-L120 HydrophobicContact CD1-CB 4.27Å; I105-L120 HydrophobicContact CD1-CD1 4.4Å; I105-L120 HydrophobicContact CD1-CD2 4.05Å; I105-L120 HydrophobicContact CD1-CG 4.48Å; I105-G123 PolarHBondContact O-N 3.03Å; I105-D124 HydrophobicContact CD1-CB 4.05Å; I105-D124 HydrophobicContact CG1-CB 4.37Å; I105-D124 PolarHBondContact N-O 2.81Å; I105-I126 HydrophobicContact CD1-CD1 4.49Å; I105-I126 HydrophobicContact CD1-CG1 4.42Å; I105-I126 HydrophobicContact CG1-CD1 4.04Å; I105-I126 HydrophobicContact CG1-CG1 4.05Å
106S83.1Confident80.6Confident24 Ų2464 Ų6417%0.16832%0.315CS..EExtended strand (participates in β ladder)trans-87.6-26.8179.367.40000114S92 L104 V122S92-S106 VanDerWaalsContact C-OG 3.27Å; S92-S106 WeakPolarHBondContact CB-OG 3.41Å; S92-S106 WeakPolarHBondContact O-CA 3.42Å; S92-S106 PolarHBondContact O-N 2.8Å; S92-S106 PolarHBondContact O-OG 3.48Å; S92-S106 PolarHBondContact OG-OG 3.44Å; S92-S106 VanDerWaalsContact OG-OG 3.05Å; L104-S106 PolarHBondContact O-N 3.35Å; S106-V122 WeakPolarHBondContact O-CG1 3.22Å
107K82Confident80.4Confident114 Ų11466 Ų6650%0.49633%0.327SS..EExtended strand (participates in β ladder)trans-158142.5179.3-169.3172.8-179.71750110I91 S92 F109I91-K107 CarbonylContact C-O 3.52Å; I91-K107 WeakPolarHBondContact CA-O 3.47Å; S92-K107 PolarHBondContact N-O 3.44Å; S92-K107 PolarHBondContact O-N 3.42Å; K107-F109 HydrophobicContact CD-CE1 4.22Å; K107-F109 HydrophobicContact CD-CZ 4.28Å
108I84.3Confident80.3Confident27 Ų2766.7 Ų66.714%0.13833%0.332CS..EExtended strand (participates in β ladder)trans-113.5130.3167.9-57.8176.5000106.7I91 I105 A114 D115 L120 V122I91-I108 HydrophobicContact CG2-CG1 4.21Å; I105-I108 HydrophobicContact CG2-CD1 4.25Å; I105-I108 HydrophobicContact CG2-CG1 3.68Å; I108-A114 HydrophobicContact CG2-CB 4.13Å; I108-D115 HydrophobicContact CG2-CB 3.96Å; I108-L120 VanDerWaalsContact CD1-C 3.49Å; I108-L120 HydrophobicContact CD1-CB 3.84Å; I108-L120 WeakPolarHBondContact CD1-O 3.32Å; I108-V122 HydrophobicContact CD1-CG2 4.43Å; I108-V122 HydrophobicContact CG1-CG2 4.09Å
109F81.8Confident80.2Confident87 Ų8763.4 Ų63.438%0.38232%0.322SS..  trans-89.7123.2-178.3-70.8-84.4000109.9G90 K107 L112 D115G90-F109 WeakPolarHBondContact O-CD2 3.44Å; G90-F109 PolarHBondContact O-N 3.39Å; K107-F109 HydrophobicContact CD-CE1 4.22Å; K107-F109 HydrophobicContact CD-CZ 4.28Å; F109-L112 HydrophobicContact CB-CD1 3.67Å; F109-L112 HydrophobicContact CB-CG 4.13Å; F109-L112 HydrophobicContact CG-CD1 4.39Å; F109-L112 PolarHBondContact O-N 3.05Å; F109-D115 WeakPolarHBondContact O-CB 3.31Å
110K77.8Confident80.7Confident191 Ų19159.4 Ų59.483%0.8330%0.301SS*.THydrogen-bonded Turntrans-59.4137.9-177-68.4-165.1173.8-169.10112.1L112 D115K110-L112 VanDerWaalsContact C-N 3.28Å; K110-L112 PolarHBondContact O-N 2.84Å; K110-D115 VanDerWaalsContact CA-OD2 3.3Å; K110-D115 WeakPolarHBondContact CA-OD2 3.29Å
111G76.2Confident81Confident45 Ų4552.5 Ų52.546%0.46427%0.27SS..THydrogen-bonded Turntrans79.8-2.7178.400000115.6D115 Q116G111-D115 PolarHBondContact N-OD2 3.28Å; G111-Q116 PolarHBondContact O-NE2 3.04Å
112L84Confident81.3Confident45 Ų4552.6 Ų52.624%0.23627%0.274CS..SBendtrans-94.6172.4176.7-61.1-170.8000112.3F109 K110 A114 D115 Q116F109-L112 HydrophobicContact CB-CD1 3.67Å; F109-L112 HydrophobicContact CB-CG 4.13Å; F109-L112 HydrophobicContact CG-CD1 4.39Å; F109-L112 PolarHBondContact O-N 3.05Å; K110-L112 VanDerWaalsContact C-N 3.28Å; K110-L112 PolarHBondContact O-N 2.84Å; L112-A114 VanDerWaalsContact C-N 3.3Å; L112-A114 PolarHBondContact O-N 2.66Å; L112-A114 VanDerWaalsContact O-N 3.13Å; L112-D115 WeakPolarHBondContact O-CB 3.14Å; L112-D115 PolarHBondContact O-N 2.91Å; L112-Q116 PolarHBondContact O-N 3.1Å; L112-Q116 VanDerWaalsContact O-N 3.15Å
113A80.6Confident81.3Confident4 Ų450.7 Ų50.73%0.03326%0.262CS..Hα-helixtrans-48.3-44.1-172.400000114.7V81 T82 Q84 G88 T117V81-A113 HydrophobicContact CG1-CB 3.83Å; T82-A113 VanDerWaalsContact O-CB 3.26Å; T82-A113 WeakPolarHBondContact O-CB 3.38Å; Q84-A113 HydrophobicContact CG-CB 4.27Å; G88-A113 WeakPolarHBondContact O-CB 3.37Å; A113-T117 WeakPolarHBondContact O-CG2 3.31Å
114A82.9Confident81.2Confident0 Ų050.6 Ų50.60%026%0.261CS..Hα-helixtrans-69.9-35.7179.300000114.4L89 I91 I108 L112 T117 L120L89-A114 WeakPolarHBondContact O-CB 3.46Å; L89-A114 PolarHBondContact O-N 2.99Å; I91-A114 HydrophobicContact CG2-CB 3.25Å; I108-A114 HydrophobicContact CG2-CB 4.13Å; L112-A114 VanDerWaalsContact C-N 3.3Å; L112-A114 PolarHBondContact O-N 2.66Å; L112-A114 VanDerWaalsContact O-N 3.13Å; A114-T117 PolarHBondContact O-N 2.84Å; A114-T117 PolarHBondContact O-OG1 3.36Å; A114-L120 HydrophobicContact CB-CD1 3.85Å
115D81.6Confident81.1Confident62 Ų6250.4 Ų50.433%0.33226%0.261SS..Hα-helixtrans-67.2-41177.9-169.758.5000110.7I108 F109 K110 G111 L112 T117 E118I108-D115 HydrophobicContact CG2-CB 3.96Å; F109-D115 WeakPolarHBondContact O-CB 3.31Å; K110-D115 VanDerWaalsContact CA-OD2 3.3Å; K110-D115 WeakPolarHBondContact CA-OD2 3.29Å; G111-D115 PolarHBondContact N-OD2 3.28Å; L112-D115 WeakPolarHBondContact O-CB 3.14Å; L112-D115 PolarHBondContact O-N 2.91Å; D115-T117 PolarHBondContact O-N 2.94Å; D115-T117 VanDerWaalsContact O-N 3.16Å; D115-E118 PolarHBondContact O-N 3.12Å
116Q76.3Confident81.2Confident126 Ų12650.5 Ų50.559%0.58926%0.261SS*.Hα-helixtrans-64.3-19.5178.4-67179.22.100114.1G111 L112 E118G111-Q116 PolarHBondContact O-NE2 3.04Å; L112-Q116 PolarHBondContact O-N 3.1Å; L112-Q116 VanDerWaalsContact O-N 3.15Å; Q116-E118 VanDerWaalsContact C-N 3.33Å
117T75.2Confident81.3Confident41 Ų4150.3 Ų50.325%0.25226%0.258SS..THydrogen-bonded Turntrans-77.8-20.3175.465.10000113.2V81 A113 A114 D115 A119V81-T117 HydrophobicContact CB-CG2 4.23Å; V81-T117 HydrophobicContact CG1-CG2 3.98Å; V81-T117 HydrophobicContact CG2-CG2 3.97Å; A113-T117 WeakPolarHBondContact O-CG2 3.31Å; A114-T117 PolarHBondContact O-N 2.84Å; A114-T117 PolarHBondContact O-OG1 3.36Å; D115-T117 PolarHBondContact O-N 2.94Å; D115-T117 VanDerWaalsContact O-N 3.16Å; T117-A119 WeakPolarHBondContact O-CB 3.37Å; T117-A119 PolarHBondContact O-N 3.32Å
118E76.1Confident81.4Confident128 Ų12845.6 Ų45.660%0.59824%0.24SC*.SBendtrans49.19.2-173.8-60.6-169.5168.400115.5D115 Q116 Y121D115-E118 PolarHBondContact O-N 3.12Å; Q116-E118 VanDerWaalsContact C-N 3.33Å; E118-Y121 PolarHBondContact O-OH 2.93Å
119A74.8Confident81.6Confident33 Ų3344.5 Ų44.527%0.27323%0.234SC..  trans-107-8.7-172.500000112.5R77 V79 T117R77-A119 PolarHBondContact NH1-O 2.81Å; V79-A119 HydrophobicContact CB-CB 4.48Å; V79-A119 HydrophobicContact CG1-CB 3.72Å; V79-A119 HydrophobicContact CG2-CB 3.91Å; T117-A119 WeakPolarHBondContact O-CB 3.37Å; T117-A119 PolarHBondContact O-N 3.32Å
120L81.7Confident81.7Confident7 Ų744 Ų444%0.03724%0.235CC..  trans-103.9139173.8-64.8173.8000110.1V79 V81 I91 I105 I108 A114 L155 V157V79-L120 HydrophobicContact CB-CD2 4Å; V79-L120 HydrophobicContact CB-CG 4.47Å; V79-L120 HydrophobicContact CG1-CD2 4.1Å; V79-L120 HydrophobicContact CG1-CG 4.01Å; V79-L120 HydrophobicContact CG2-CD2 3.99Å; V81-L120 HydrophobicContact CG2-CD1 3.9Å; I91-L120 HydrophobicContact CG2-CD1 4.4Å; I105-L120 HydrophobicContact CD1-CB 4.27Å; I105-L120 HydrophobicContact CD1-CD1 4.4Å; I105-L120 HydrophobicContact CD1-CD2 4.05Å; I105-L120 HydrophobicContact CD1-CG 4.48Å; I108-L120 VanDerWaalsContact CD1-C 3.49Å; I108-L120 HydrophobicContact CD1-CB 3.84Å; I108-L120 WeakPolarHBondContact CD1-O 3.32Å; A114-L120 HydrophobicContact CB-CD1 3.85Å; L120-L155 HydrophobicContact CD1-CD1 3.93Å; L120-L155 HydrophobicContact CD2-CD1 4.26Å; L120-V157 HydrophobicContact CD2-CG1 3.84Å; L120-V157 HydrophobicContact CD2-CG2 4.06Å
121Y82.5Confident81.4Confident53 Ų5338.3 Ų38.321%0.20823%0.231CC..  trans-124.5150.5177.2-59.6-70.8000111.2V68 I72 E118 G123 D124V68-Y121 HydrophobicContact CB-CE1 4.36Å; V68-Y121 HydrophobicContact CG1-CD2 3.94Å; V68-Y121 HydrophobicContact CG1-CE1 4.32Å; V68-Y121 HydrophobicContact CG1-CE2 3.64Å; V68-Y121 HydrophobicContact CG1-CG 4.39Å; V68-Y121 HydrophobicContact CG2-CD1 3.45Å; V68-Y121 VanDerWaalsContact CG2-CD1 3.45Å; V68-Y121 HydrophobicContact CG2-CD2 4.28Å; V68-Y121 HydrophobicContact CG2-CE1 3.37Å; V68-Y121 HydrophobicContact CG2-CE2 4.2Å; V68-Y121 HydrophobicContact CG2-CG 3.94Å; I72-Y121 HydrophobicContact CD1-CD2 4.06Å; I72-Y121 HydrophobicContact CD1-CE2 3.64Å; E118-Y121 PolarHBondContact O-OH 2.93Å; Y121-G123 PolarHBondContact O-N 2.9Å; Y121-D124 PolarHBondContact N-OD2 3.46Å; Y121-D124 VanDerWaalsContact O-CB 3.29Å; Y121-D124 WeakPolarHBondContact O-CB 3.35Å; Y121-D124 PolarHBondContact O-N 2.94Å; Y121-D124 VanDerWaalsContact O-N 3.08Å
122V83.3Confident81.6Confident69 Ų6942 Ų4242%0.41823%0.234SC..THydrogen-bonded Turntrans-64.3128.1170.71770000108.6S106 I108S106-V122 WeakPolarHBondContact O-CG1 3.22Å; I108-V122 HydrophobicContact CD1-CG2 4.43Å; I108-V122 HydrophobicContact CG1-CG2 4.09Å
123G80.5Confident81.5Confident1 Ų143.2 Ų43.21%0.0124%0.241CC..THydrogen-bonded Turntrans97.7-2.7-17100000114.8I105 Y121 A125I105-G123 PolarHBondContact O-N 3.03Å; Y121-G123 PolarHBondContact O-N 2.9Å; G123-A125 PolarHBondContact O-N 2.77Å
124D84.6Confident81.7Confident0 Ų043 Ų430%024%0.24CC..EExtended strand (participates in β ladder)trans-66.9129.9168.7-85.8-31.6000111.2R77 L104 I105 Y121 V157 Y159R77-D124 IonicContact CZ-OD1 2.91Å; R77-D124 IonicContact CZ-OD2 2.54Å; R77-D124 IonicContact NH2-OD1 3.83Å; R77-D124 PolarHBondContact NH2-OD1 2.84Å; R77-D124 IonicContact NH2-OD2 3.61Å; R77-D124 PolarHBondContact NH2-OD2 2.8Å; L104-D124 CarbonylContact C-O 3.58Å; L104-D124 WeakPolarHBondContact CA-O 3.49Å; I105-D124 HydrophobicContact CD1-CB 4.05Å; I105-D124 HydrophobicContact CG1-CB 4.37Å; I105-D124 PolarHBondContact N-O 2.81Å; Y121-D124 PolarHBondContact N-OD2 3.46Å; Y121-D124 VanDerWaalsContact O-CB 3.29Å; Y121-D124 WeakPolarHBondContact O-CB 3.35Å; Y121-D124 PolarHBondContact O-N 2.94Å; Y121-D124 VanDerWaalsContact O-N 3.08Å; D124-V157 HydrophobicContact CB-CB 4.12Å; D124-Y159 VanDerWaalsContact OD1-CA 3.22Å; D124-Y159 WeakPolarHBondContact OD1-CA 3.44Å; D124-Y159 WeakPolarHBondContact OD1-CB 3.49Å; D124-Y159 PolarHBondContact OD1-N 2.81Å
125A86.3Confident81.5Confident1 Ų149.9 Ų49.91%0.00827%0.266CS..EExtended strand (participates in β ladder)trans-86.3123.8169.400000109.8P102 I103 L104 G123 L127 V157 K158 I160P102-A125 HydrophobicContact CB-CB 4.47Å; I103-A125 CarbonylContact O-C 3.55Å; I103-A125 WeakPolarHBondContact O-CA 3.13Å; L104-A125 HydrophobicContact CD2-CB 3.72Å; G123-A125 PolarHBondContact O-N 2.77Å; A125-L127 PolarHBondContact O-N 3.17Å; A125-V157 CarbonylContact O-C 3.6Å; A125-V157 VanDerWaalsContact O-CA 3.22Å; A125-V157 WeakPolarHBondContact O-CA 3.45Å; A125-K158 PolarHBondContact N-O 2.75Å; A125-K158 PolarHBondContact O-N 3.44Å; A125-I160 HydrophobicContact CB-CD1 3.51Å; A125-I160 HydrophobicContact CB-CG1 4.03Å
126I89.4Confident81.2Confident2 Ų253 Ų531%0.0128%0.278CS..EExtended strand (participates in β ladder)trans-82111.1175.9-51.3178000107.8I91 I93 I103 I105 V129 L134 L146 L155 V157I91-I126 HydrophobicContact CD1-CD1 4.07Å; I93-I126 HydrophobicContact CG2-CD1 3.8Å; I103-I126 HydrophobicContact CG2-CB 4.38Å; I103-I126 HydrophobicContact CG2-CD1 4.34Å; I103-I126 PolarHBondContact O-N 2.76Å; I105-I126 HydrophobicContact CD1-CD1 4.49Å; I105-I126 HydrophobicContact CD1-CG1 4.42Å; I105-I126 HydrophobicContact CG1-CD1 4.04Å; I105-I126 HydrophobicContact CG1-CG1 4.05Å; I126-V129 HydrophobicContact CG2-CG2 3.84Å; I126-L134 HydrophobicContact CG2-CD1 4.1Å; I126-L146 HydrophobicContact CD1-CD1 4.29Å; I126-L155 HydrophobicContact CG2-CD2 4.32Å; I126-V157 HydrophobicContact CG1-CG1 4.28Å
127L84.5Confident81.3Confident21 Ų2147.4 Ų47.411%0.1125%0.253CS..EExtended strand (participates in β ladder)trans-86.2-40.4179.5-56.1-179.3000111.3K76 A125 L134 R135 E156 K158K76-L127 HydrophobicContact CD-CD1 4.3Å; K76-L127 HydrophobicContact CG-CD1 3.91Å; A125-L127 PolarHBondContact O-N 3.17Å; L127-L134 PolarHBondContact O-N 3.47Å; L127-R135 HydrophobicContact CB-CG 4.43Å; L127-R135 HydrophobicContact CD2-CG 4.07Å; L127-E156 HydrophobicContact CB-CB 4.41Å; L127-E156 HydrophobicContact CB-CG 4.45Å; L127-E156 WeakPolarHBondContact CB-O 3.49Å; L127-E156 HydrophobicContact CD1-CG 4.5Å; L127-E156 PolarHBondContact N-O 2.74Å; L127-K158 HydrophobicContact CD1-CB 4Å; L127-K158 HydrophobicContact CG-CB 4.41Å
128S85.5Confident81.8Confident15 Ų1547.6 Ų47.611%0.10526%0.255CS..EExtended strand (participates in β ladder)trans-151.3156.1178.373.60000112.6F132 L155 E156S128-F132 CarbonylContact C-O 3.53Å; S128-F132 WeakPolarHBondContact CA-O 3.43Å; S128-F132 VanDerWaalsContact CB-O 3.31Å; S128-F132 WeakPolarHBondContact CB-O 3.42Å; S128-L155 WeakPolarHBondContact O-CA 3.33Å; S128-E156 PolarHBondContact N-O 3.21Å; S128-E156 PolarHBondContact O-N 3.02Å; S128-E156 WeakPolarHBondContact OG-CB 3.36Å; S128-E156 PolarHBondContact OG-OE2 2.96Å; S128-E156 VanDerWaalsContact OG-OE2 3.12Å
129V88.8Confident82.2Confident3 Ų344.6 Ų44.62%0.01824%0.24CC..EExtended strand (participates in β ladder)trans-129.3115.7177.5-179.70000109I126 G131 F132 L134 L146 T149 V153 I154 L155I126-V129 HydrophobicContact CG2-CG2 3.84Å; V129-G131 PolarHBondContact O-N 2.89Å; V129-G131 VanDerWaalsContact O-N 3.15Å; V129-F132 PolarHBondContact N-O 3.35Å; V129-F132 VanDerWaalsContact O-CB 3.29Å; V129-F132 WeakPolarHBondContact O-CB 3.46Å; V129-F132 PolarHBondContact O-N 3.28Å; V129-L134 HydrophobicContact CB-CD1 4.33Å; V129-L134 HydrophobicContact CG2-CD1 3.36Å; V129-L134 HydrophobicContact CG2-CG 4.17Å; V129-L146 HydrophobicContact CG1-CD2 4.1Å; V129-L146 HydrophobicContact CG2-CD2 3.64Å; V129-L146 HydrophobicContact CG2-CG 4.2Å; V129-T149 HydrophobicContact CG1-CG2 3.46Å; V129-T149 VanDerWaalsContact CG1-CG2 3.46Å; V129-V153 HydrophobicContact CG1-CG1 3.82Å; V129-I154 CarbonylContact C-O 3.43Å; V129-I154 WeakPolarHBondContact CA-O 3.48Å; V129-L155 HydrophobicContact CB-CD2 4.32Å; V129-L155 HydrophobicContact CG1-CD2 4.12Å; V129-L155 HydrophobicContact CG2-CD2 3.67Å
130N82.1Confident82.7Confident76 Ų7647.6 Ų47.641%0.40625%0.252SS..THydrogen-bonded Turntrans49.836.6-176-73.7-7.1000113.2F132 T149 E152 I154N130-F132 VanDerWaalsContact C-N 3.31Å; N130-F132 PolarHBondContact O-N 3.42Å; N130-T149 HydrophobicContact CB-CG2 4.37Å; N130-T149 VanDerWaalsContact ND2-CG2 3.3Å; N130-T149 WeakPolarHBondContact ND2-CG2 3.47Å; N130-E152 PolarHBondContact ND2-O 3.41Å; N130-I154 PolarHBondContact N-O 2.87Å; N130-I154 WeakPolarHBondContact OD1-CB 2.93Å; N130-I154 PolarHBondContact OD1-N 3.16Å
131G71.7Confident82.8Confident72 Ų7251.8 Ų51.874%0.74227%0.271SS*.THydrogen-bonded Turntrans82.9-2.4-177.600000115.2V129V129-G131 PolarHBondContact O-N 2.89Å; V129-G131 VanDerWaalsContact O-N 3.15Å
132F80.8Confident83Confident122 Ų12249.3 Ų49.354%0.53526%0.261SS..EExtended strand (participates in β ladder)trans-84.2118.3170.9-171.7-99000110.2S128 V129 N130 L134 A145S128-F132 CarbonylContact C-O 3.53Å; S128-F132 WeakPolarHBondContact CA-O 3.43Å; S128-F132 VanDerWaalsContact CB-O 3.31Å; S128-F132 WeakPolarHBondContact CB-O 3.42Å; V129-F132 PolarHBondContact N-O 3.35Å; V129-F132 VanDerWaalsContact O-CB 3.29Å; V129-F132 WeakPolarHBondContact O-CB 3.46Å; V129-F132 PolarHBondContact O-N 3.28Å; N130-F132 VanDerWaalsContact C-N 3.31Å; N130-F132 PolarHBondContact O-N 3.42Å; F132-L134 HydrophobicContact CD1-CD2 3.61Å; F132-L134 HydrophobicContact CD1-CG 4.42Å; F132-L134 HydrophobicContact CE1-CD2 3.73Å; F132-A145 HydrophobicContact CD1-CB 4.18Å
133D82Confident83.2Confident72 Ų7247.6 Ų47.639%0.38525%0.251SS..EExtended strand (participates in β ladder)trans-72.7126.8-177.4-167.2-2.9000111.3R135D133-R135 VanDerWaalsContact CG-NE 3.35Å; D133-R135 WeakPolarHBondContact OD1-CB 3.26Å; D133-R135 VanDerWaalsContact OD1-CG 3.22Å; D133-R135 WeakPolarHBondContact OD1-CG 3.48Å; D133-R135 IonicContact OD1-CZ 3.92Å; D133-R135 PolarHBondContact OD1-N 2.82Å; D133-R135 IonicContact OD1-NE 3.47Å; D133-R135 PolarHBondContact OD1-NE 3.15Å; D133-R135 IonicContact OD1-NH2 3.14Å; D133-R135 IonicContact OD2-CZ 2.83Å; D133-R135 IonicContact OD2-NE 3.84Å; D133-R135 PolarHBondContact OD2-NE 3.31Å; D133-R135 IonicContact OD2-NH2 2.68Å; D133-R135 PolarHBondContact OD2-NH2 3.17Å
134L85.3Confident83.3Confident0 Ų053 Ų530%028%0.276CS..  trans-109.13.9-179.6-67.8-171.8000113.3I126 L127 V129 F132 E136 A137 A142 A145I126-L134 HydrophobicContact CG2-CD1 4.1Å; L127-L134 PolarHBondContact O-N 3.47Å; V129-L134 HydrophobicContact CB-CD1 4.33Å; V129-L134 HydrophobicContact CG2-CD1 3.36Å; V129-L134 HydrophobicContact CG2-CG 4.17Å; F132-L134 HydrophobicContact CD1-CD2 3.61Å; F132-L134 HydrophobicContact CD1-CG 4.42Å; F132-L134 HydrophobicContact CE1-CD2 3.73Å; L134-E136 VanDerWaalsContact C-N 3.26Å; L134-E136 PolarHBondContact O-N 2.86Å; L134-A137 HydrophobicContact CB-CB 4.29Å; L134-A137 HydrophobicContact CD2-CB 3.69Å; L134-A137 PolarHBondContact O-N 2.79Å; L134-A142 HydrophobicContact CD1-CB 4.06Å; L134-A142 HydrophobicContact CD2-CB 4.3Å; L134-A145 HydrophobicContact CD2-CB 4Å
135R77.7Confident83.3Confident143 Ų14353.8 Ų53.854%0.5428%0.283SS..THydrogen-bonded Turntrans-59.3-36.3-178.3-71.5178.2-72.5176.8-1.5113.4L127 D133L127-R135 HydrophobicContact CB-CG 4.43Å; L127-R135 HydrophobicContact CD2-CG 4.07Å; D133-R135 VanDerWaalsContact CG-NE 3.35Å; D133-R135 WeakPolarHBondContact OD1-CB 3.26Å; D133-R135 VanDerWaalsContact OD1-CG 3.22Å; D133-R135 WeakPolarHBondContact OD1-CG 3.48Å; D133-R135 IonicContact OD1-CZ 3.92Å; D133-R135 PolarHBondContact OD1-N 2.82Å; D133-R135 IonicContact OD1-NE 3.47Å; D133-R135 PolarHBondContact OD1-NE 3.15Å; D133-R135 IonicContact OD1-NH2 3.14Å; D133-R135 IonicContact OD2-CZ 2.83Å; D133-R135 IonicContact OD2-NE 3.84Å; D133-R135 PolarHBondContact OD2-NE 3.31Å; D133-R135 IonicContact OD2-NH2 2.68Å; D133-R135 PolarHBondContact OD2-NH2 3.17Å
136E76.8Confident83.2Confident129 Ų12954.5 Ų54.560%0.60329%0.286SS*.THydrogen-bonded Turntrans-111.112.2-179.9-70.4-69.3118.300112.9K97 L134K97-E136 HydrophobicContact CD-CB 4.42Å; K97-E136 WeakPolarHBondContact CD-O 3.46Å; K97-E136 WeakPolarHBondContact CE-OE2 3.34Å; K97-E136 IonicContact NZ-OE2 2.67Å; K97-E136 PolarHBondContact NZ-OE2 3.43Å; L134-E136 VanDerWaalsContact C-N 3.26Å; L134-E136 PolarHBondContact O-N 2.86Å
137A78.1Confident82.8Confident7 Ų762 Ų626%0.05832%0.319CS..  trans-80.8149.4-178.400000111.8K97 L134 E141K97-A137 PolarHBondContact N-O 2.83Å; L134-A137 HydrophobicContact CB-CB 4.29Å; L134-A137 HydrophobicContact CD2-CB 3.69Å; L134-A137 PolarHBondContact O-N 2.79Å; A137-E141 HydrophobicContact CB-CB 4.22Å
138T85.2Confident82.6Confident46 Ų4670 Ų7028%0.28235%0.353SS..  trans-72.4163.7169.460.10000111.3E98 D140 E141 A142E98-T138 WeakPolarHBondContact OE2-CA 3.4Å; E98-T138 WeakPolarHBondContact OE2-CB 3.45Å; T138-D140 VanDerWaalsContact C-N 3.28Å; T138-D140 PolarHBondContact O-N 3.15Å; T138-E141 PolarHBondContact N-OE2 3.35Å; T138-E141 PolarHBondContact O-N 2.73Å; T138-E141 WeakPolarHBondContact OG1-CB 3.38Å; T138-E141 WeakPolarHBondContact OG1-CG 3.43Å; T138-E141 PolarHBondContact OG1-N 3.35Å; T138-E141 PolarHBondContact OG1-OE2 3.32Å; T138-A142 PolarHBondContact O-N 2.84Å
139H85.4Confident82.2Confident65 Ų6570.1 Ų70.130%0.30135%0.353SS..Hα-helixtrans-56.1-44.7177.2-175.475.6000112.2G95 E98 A142 V143G95-H139 WeakPolarHBondContact O-CB 3.05Å; G95-H139 PolarHBondContact O-ND1 3.23Å; E98-H139 WeakPolarHBondContact OE1-CB 3.48Å; E98-H139 PolarHBondContact OE1-N 3.42Å; E98-H139 VanDerWaalsContact OE1-N 3.1Å; E98-H139 PolarHBondContact OE2-N 3.15Å; E98-H139 VanDerWaalsContact OE2-N 3.13Å; H139-A142 PolarHBondContact O-N 2.84Å; H139-V143 WeakPolarHBondContact O-CG2 3.26Å; H139-V143 PolarHBondContact O-N 2.89Å
140D84.6Confident81.4Confident95 Ų9572.4 Ų72.451%0.50838%0.377SS..Hα-helixtrans-66.4-42.9-177.9-161.2-94.2000111.5T138 A142 V143 Q144T138-D140 VanDerWaalsContact C-N 3.28Å; T138-D140 PolarHBondContact O-N 3.15Å; D140-A142 VanDerWaalsContact C-N 3.31Å; D140-A142 PolarHBondContact O-N 2.73Å; D140-V143 PolarHBondContact O-N 3.02Å; D140-Q144 WeakPolarHBondContact O-CG 3.45Å; D140-Q144 PolarHBondContact O-N 3.12Å; D140-Q144 PolarHBondContact OD1-NE2 3.42Å
141E84.3Confident81.1Confident96 Ų9675.4 Ų75.445%0.44939%0.386SS..Hα-helixtrans-60.7-39.3175.3-73.6168.5147.700112.3A137 T138 Q144 A145A137-E141 HydrophobicContact CB-CB 4.22Å; T138-E141 PolarHBondContact N-OE2 3.35Å; T138-E141 PolarHBondContact O-N 2.73Å; T138-E141 WeakPolarHBondContact OG1-CB 3.38Å; T138-E141 WeakPolarHBondContact OG1-CG 3.43Å; T138-E141 PolarHBondContact OG1-N 3.35Å; T138-E141 PolarHBondContact OG1-OE2 3.32Å; E141-Q144 PolarHBondContact O-N 2.76Å; E141-A145 WeakPolarHBondContact O-CB 3.35Å; E141-A145 PolarHBondContact O-N 2.79Å
142A85.5Confident81.4Confident0 Ų075.7 Ų75.70%037%0.368CS..Hα-helixtrans-66.1-41.3175.900000112.2I93 I103 L134 T138 H139 D140 A145 L146I93-A142 HydrophobicContact CD1-CB 4.01Å; I103-A142 HydrophobicContact CB-CB 4.47Å; I103-A142 HydrophobicContact CD1-CB 3.51Å; I103-A142 HydrophobicContact CG1-CB 3.66Å; I103-A142 HydrophobicContact CG2-CB 4.02Å; L134-A142 HydrophobicContact CD1-CB 4.06Å; L134-A142 HydrophobicContact CD2-CB 4.3Å; T138-A142 PolarHBondContact O-N 2.84Å; H139-A142 PolarHBondContact O-N 2.84Å; D140-A142 VanDerWaalsContact C-N 3.31Å; D140-A142 PolarHBondContact O-N 2.73Å; A142-A145 PolarHBondContact O-N 2.8Å; A142-L146 WeakPolarHBondContact O-CB 3.38Å; A142-L146 VanDerWaalsContact O-CG 3.31Å; A142-L146 WeakPolarHBondContact O-CG 3.3Å; A142-L146 PolarHBondContact O-N 2.85Å
143V87.1Confident81.6Confident34 Ų3469.9 Ų69.921%0.20634%0.343CS..Hα-helixtrans-63.4-43.7173.9173.10000110.5I93 H139 D140 L146 K147I93-V143 HydrophobicContact CD1-CG2 3.79Å; I93-V143 HydrophobicContact CG1-CG2 4.27Å; H139-V143 WeakPolarHBondContact O-CG2 3.26Å; H139-V143 PolarHBondContact O-N 2.89Å; D140-V143 PolarHBondContact O-N 3.02Å; V143-L146 PolarHBondContact O-N 2.8Å; V143-K147 HydrophobicContact CG1-CD 3.94Å; V143-K147 HydrophobicContact CG1-CG 4.43Å; V143-K147 WeakPolarHBondContact O-CB 3.49Å; V143-K147 WeakPolarHBondContact O-CG 3.3Å; V143-K147 PolarHBondContact O-N 2.96Å
144Q83.6Confident81.7Confident114 Ų11469.9 Ų69.953%0.53334%0.342SS..Hα-helixtrans-64.1-43.4177.4-71.7-171.719.900111.7D140 E141 L146 K147 K148D140-Q144 WeakPolarHBondContact O-CG 3.45Å; D140-Q144 PolarHBondContact O-N 3.12Å; D140-Q144 PolarHBondContact OD1-NE2 3.42Å; E141-Q144 PolarHBondContact O-N 2.76Å; Q144-L146 PolarHBondContact O-N 3.38Å; Q144-K147 PolarHBondContact O-N 2.75Å; Q144-K148 WeakPolarHBondContact O-CB 3.24Å; Q144-K148 PolarHBondContact O-N 3.19Å
145A83.7Confident81.8Confident17 Ų1769.9 Ų69.914%0.1434%0.342CS..Hα-helixtrans-59.6-46.8176.100000111.4F132 L134 E141 A142 K147 K148 T149F132-A145 HydrophobicContact CD1-CB 4.18Å; L134-A145 HydrophobicContact CD2-CB 4Å; E141-A145 WeakPolarHBondContact O-CB 3.35Å; E141-A145 PolarHBondContact O-N 2.79Å; A142-A145 PolarHBondContact O-N 2.8Å; A145-K147 VanDerWaalsContact C-N 3.33Å; A145-K147 PolarHBondContact O-N 3.19Å; A145-K148 PolarHBondContact O-N 2.94Å; A145-T149 WeakPolarHBondContact O-CG2 3.33Å; A145-T149 PolarHBondContact O-N 2.95Å
146L84.2Confident82.1Confident15 Ų1565.3 Ų65.38%0.07933%0.327CS..Hα-helixtrans-66.8-30.2177.3-71167.5000113.3K83 L89 I93 I126 V129 A142 V143 Q144 T149 L155K83-L146 PolarHBondContact NZ-O 2.96Å; L89-L146 HydrophobicContact CD2-CD2 3.86Å; I93-L146 HydrophobicContact CD1-CD1 3.79Å; I93-L146 HydrophobicContact CG1-CD1 4.47Å; I93-L146 HydrophobicContact CG2-CD1 4.1Å; I126-L146 HydrophobicContact CD1-CD1 4.29Å; V129-L146 HydrophobicContact CG1-CD2 4.1Å; V129-L146 HydrophobicContact CG2-CD2 3.64Å; V129-L146 HydrophobicContact CG2-CG 4.2Å; A142-L146 WeakPolarHBondContact O-CB 3.38Å; A142-L146 VanDerWaalsContact O-CG 3.31Å; A142-L146 WeakPolarHBondContact O-CG 3.3Å; A142-L146 PolarHBondContact O-N 2.85Å; V143-L146 PolarHBondContact O-N 2.8Å; Q144-L146 PolarHBondContact O-N 3.38Å; L146-T149 PolarHBondContact O-OG1 3.42Å; L146-L155 HydrophobicContact CD2-CD2 3.69Å
147K82.3Confident82.6Confident159 Ų15959.1 Ų59.169%0.69130%0.298SS*.Hα-helixtrans-78.5-40175.7-77.1179.2179.4176.10112.7K83 V143 Q144 A145 T149K83-K147 PolarHBondContact NZ-O 3.34Å; V143-K147 HydrophobicContact CG1-CD 3.94Å; V143-K147 HydrophobicContact CG1-CG 4.43Å; V143-K147 WeakPolarHBondContact O-CB 3.49Å; V143-K147 WeakPolarHBondContact O-CG 3.3Å; V143-K147 PolarHBondContact O-N 2.96Å; Q144-K147 PolarHBondContact O-N 2.75Å; A145-K147 VanDerWaalsContact C-N 3.33Å; A145-K147 PolarHBondContact O-N 3.19Å; K147-T149 VanDerWaalsContact C-N 3.25Å; K147-T149 PolarHBondContact O-N 3.49Å
148K78.9Confident82.8Confident190 Ų19061.8 Ų61.883%0.82631%0.308SS*.Hα-helixtrans-71-16.8-177-170.6174.7179.4-179.10113.4Q144 A145Q144-K148 WeakPolarHBondContact O-CB 3.24Å; Q144-K148 PolarHBondContact O-N 3.19Å; A145-K148 PolarHBondContact O-N 2.94Å
149T77.6Confident82.4Confident18 Ų1861.8 Ų61.811%0.1130%0.303CS..SBendtrans-65.1146173.352.60000112.3K83 V129 N130 A145 L146 K147 V153K83-T149 WeakPolarHBondContact CE-OG1 3.17Å; K83-T149 PolarHBondContact NZ-O 2.97Å; K83-T149 PolarHBondContact NZ-OG1 2.82Å; V129-T149 HydrophobicContact CG1-CG2 3.46Å; V129-T149 VanDerWaalsContact CG1-CG2 3.46Å; N130-T149 HydrophobicContact CB-CG2 4.37Å; N130-T149 VanDerWaalsContact ND2-CG2 3.3Å; N130-T149 WeakPolarHBondContact ND2-CG2 3.47Å; A145-T149 WeakPolarHBondContact O-CG2 3.33Å; A145-T149 PolarHBondContact O-N 2.95Å; L146-T149 PolarHBondContact O-OG1 3.42Å; K147-T149 VanDerWaalsContact C-N 3.25Å; K147-T149 PolarHBondContact O-N 3.49Å; T149-V153 HydrophobicContact CG2-CG1 4.11Å; T149-V153 HydrophobicContact CG2-CG2 4.49Å; T149-V153 VanDerWaalsContact OG1-CG2 3.24Å; T149-V153 WeakPolarHBondContact OG1-CG2 3.43Å
150G72.1Confident81.9Confident50 Ų5060.3 Ų60.352%0.51530%0.297SS..  trans-74.2-156.3178.600000113.4K83 E152K83-G150 WeakPolarHBondContact CD-O 3.49Å; K83-G150 WeakPolarHBondContact CE-O 3.43Å; G150-E152 PolarHBondContact O-N 3.28Å; G150-E152 VanDerWaalsContact O-N 3.15Å
151K75.9Confident80.7Confident139 Ų13962.3 Ų62.360%0.60430%0.301SS*.SBendtrans-59-25.1179.1-169169.4-177.5166.40113T82 K83T82-K151 CarbonylContact C-O 3.56Å; T82-K151 VanDerWaalsContact CA-O 3.3Å; T82-K151 WeakPolarHBondContact CA-O 3.33Å; T82-K151 HydrophobicContact CG2-CG 4.04Å; T82-K151 WeakPolarHBondContact CG2-O 3.14Å; K83-K151 PolarHBondContact N-O 3.08Å
152E78Confident79.4Confident78 Ų7865.3 Ų65.336%0.36432%0.315SS..EExtended strand (participates in β ladder)trans-117.3131.7177.9-166.3174.715200111.4R80 N130 G150R80-E152 WeakPolarHBondContact CD-OE1 3.45Å; R80-E152 HydrophobicContact CG-CG 3.95Å; R80-E152 IonicContact CZ-OE1 3.27Å; R80-E152 IonicContact CZ-OE2 3.54Å; R80-E152 VanDerWaalsContact NE-CD 3.26Å; R80-E152 IonicContact NE-OE1 2.62Å; R80-E152 PolarHBondContact NE-OE1 3.05Å; R80-E152 IonicContact NE-OE2 2.66Å; R80-E152 IonicContact NH1-OE1 3.61Å; R80-E152 PolarHBondContact NH1-OE1 3.17Å; R80-E152 IonicContact NH2-OE1 2.78Å; R80-E152 PolarHBondContact NH2-OE1 3.24Å; R80-E152 IonicContact NH2-OE2 2.86Å; R80-E152 PolarHBondContact NH2-OE2 3.27Å; R80-E152 VanDerWaalsContact NH2-OE2 3.1Å; N130-E152 PolarHBondContact ND2-O 3.41Å; G150-E152 PolarHBondContact O-N 3.28Å; G150-E152 VanDerWaalsContact O-N 3.15Å
153V85.3Confident77.9Confident0 Ų067.4 Ų67.40%033%0.326CS..EExtended strand (participates in β ladder)trans-126.7123.1-179.2-168.20000109.2R80 V81 K83 L89 V129 T149 L155R80-V153 CarbonylContact C-O 3.51Å; R80-V153 WeakPolarHBondContact CA-O 3.33Å; V81-V153 PolarHBondContact N-O 3.34Å; V81-V153 PolarHBondContact O-N 3.39Å; K83-V153 HydrophobicContact CD-CG2 4.19Å; K83-V153 HydrophobicContact CG-CG2 3.93Å; L89-V153 HydrophobicContact CD1-CB 4.46Å; L89-V153 HydrophobicContact CD1-CG2 4.34Å; V129-V153 HydrophobicContact CG1-CG1 3.82Å; T149-V153 HydrophobicContact CG2-CG1 4.11Å; T149-V153 HydrophobicContact CG2-CG2 4.49Å; T149-V153 VanDerWaalsContact OG1-CG2 3.24Å; T149-V153 WeakPolarHBondContact OG1-CG2 3.43Å; V153-L155 HydrophobicContact CG1-CD2 3.62Å; V153-L155 HydrophobicContact CG1-CG 4.04Å
154I83.5Confident76.1Confident72 Ų7267.9 Ų67.937%0.36933%0.33SS..EExtended strand (participates in β ladder)trans-102.2117.1173.5-56.8174.9000107T78 V129 N130T78-I154 HydrophobicContact CG2-CG2 3.42Å; T78-I154 VanDerWaalsContact CG2-CG2 3.42Å; V129-I154 CarbonylContact C-O 3.43Å; V129-I154 WeakPolarHBondContact CA-O 3.48Å; N130-I154 PolarHBondContact N-O 2.87Å; N130-I154 WeakPolarHBondContact OD1-CB 2.93Å; N130-I154 PolarHBondContact OD1-N 3.16Å
155L89Confident74.1Confident0 Ų065.2 Ų65.20%033%0.328CS..EExtended strand (participates in β ladder)trans-109.3125.5179.7-58.3176.1000109.2T78 V79 V81 L89 L120 I126 S128 V129 L146 V153 V157T78-L155 CarbonylContact C-O 3.58Å; T78-L155 WeakPolarHBondContact CA-O 3.44Å; V79-L155 PolarHBondContact N-O 2.86Å; V79-L155 PolarHBondContact O-N 3.09Å; V81-L155 HydrophobicContact CG2-CD1 4.13Å; L89-L155 HydrophobicContact CD2-CD1 4.45Å; L120-L155 HydrophobicContact CD1-CD1 3.93Å; L120-L155 HydrophobicContact CD2-CD1 4.26Å; I126-L155 HydrophobicContact CG2-CD2 4.32Å; S128-L155 WeakPolarHBondContact O-CA 3.33Å; V129-L155 HydrophobicContact CB-CD2 4.32Å; V129-L155 HydrophobicContact CG1-CD2 4.12Å; V129-L155 HydrophobicContact CG2-CD2 3.67Å; L146-L155 HydrophobicContact CD2-CD2 3.69Å; V153-L155 HydrophobicContact CG1-CD2 3.62Å; V153-L155 HydrophobicContact CG1-CG 4.04Å; L155-V157 HydrophobicContact CB-CG1 4.05Å
156E82.3Confident72.3Confident47 Ų4769.6 Ų69.622%0.2234%0.344CS..EExtended strand (participates in β ladder)trans-92.2115.8165.2-166.1-174.3154.300108K76 R77 L127 S128K76-E156 WeakPolarHBondContact CD-OE1 3.28Å; K76-E156 WeakPolarHBondContact CE-OE1 3.44Å; K76-E156 IonicContact NZ-OE1 3.91Å; K76-E156 PolarHBondContact NZ-OE1 3.08Å; R77-E156 CarbonylContact O-C 3.48Å; R77-E156 WeakPolarHBondContact O-CA 3.21Å; L127-E156 HydrophobicContact CB-CB 4.41Å; L127-E156 HydrophobicContact CB-CG 4.45Å; L127-E156 WeakPolarHBondContact CB-O 3.49Å; L127-E156 HydrophobicContact CD1-CG 4.5Å; L127-E156 PolarHBondContact N-O 2.74Å; S128-E156 PolarHBondContact N-O 3.21Å; S128-E156 PolarHBondContact O-N 3.02Å; S128-E156 WeakPolarHBondContact OG-CB 3.36Å; S128-E156 PolarHBondContact OG-OE2 2.96Å; S128-E156 VanDerWaalsContact OG-OE2 3.12Å
157V87.8Confident70.6Confident0 Ų072.4 Ų72.40%036%0.356CS..EExtended strand (participates in β ladder)trans-123.2151.6-175.3-59.60000112.1R77 V79 L120 D124 A125 I126 L155R77-V157 HydrophobicContact CB-CG2 4.1Å; R77-V157 PolarHBondContact N-O 3.44Å; R77-V157 PolarHBondContact O-N 3.5Å; V79-V157 HydrophobicContact CG2-CG2 4.01Å; L120-V157 HydrophobicContact CD2-CG1 3.84Å; L120-V157 HydrophobicContact CD2-CG2 4.06Å; D124-V157 HydrophobicContact CB-CB 4.12Å; A125-V157 CarbonylContact O-C 3.6Å; A125-V157 VanDerWaalsContact O-CA 3.22Å; A125-V157 WeakPolarHBondContact O-CA 3.45Å; I126-V157 HydrophobicContact CG1-CG1 4.28Å; L155-V157 HydrophobicContact CB-CG1 4.05Å
158K81.7Confident68.6Low63 Ų6371.8 Ų71.827%0.27435%0.353SS..EExtended strand (participates in β ladder)trans-133.9128.8173.1-178.9-178.5176-1760109.3N74 A125 L127 I160N74-K158 VanDerWaalsContact CA-CE 3.46Å; N74-K158 VanDerWaalsContact O-CE 3.27Å; N74-K158 WeakPolarHBondContact O-CE 3.41Å; N74-K158 WeakPolarHBondContact OD1-CE 3.35Å; A125-K158 PolarHBondContact N-O 2.75Å; A125-K158 PolarHBondContact O-N 3.44Å; L127-K158 HydrophobicContact CD1-CB 4Å; L127-K158 HydrophobicContact CG-CB 4.41Å; K158-I160 HydrophobicContact CG-CG1 4.46Å; K158-I160 PolarHBondContact O-N 2.93Å
159Y78.4Confident66.3Low46 Ų4667.3 Ų67.318%0.1835%0.346CS..EExtended strand (participates in β ladder)trans-78.6114.7177.2-170.8-99.2000110T73 N74 D124 K161T73-Y159 HydrophobicContact CG2-CD1 4.1Å; T73-Y159 HydrophobicContact CG2-CE1 4.45Å; N74-Y159 PolarHBondContact N-O 3.14Å; D124-Y159 VanDerWaalsContact OD1-CA 3.22Å; D124-Y159 WeakPolarHBondContact OD1-CA 3.44Å; D124-Y159 WeakPolarHBondContact OD1-CB 3.49Å; D124-Y159 PolarHBondContact OD1-N 2.81Å; Y159-K161 HydrophobicContact CE1-CB 4.28Å
160I73.6Confident64Low33 Ų3372.6 Ų72.617%0.16938%0.384CS..  trans-106.196.4-178.3-51.3-177.9000109.1A125 K158 E162 M163 S164A125-I160 HydrophobicContact CB-CD1 3.51Å; A125-I160 HydrophobicContact CB-CG1 4.03Å; K158-I160 HydrophobicContact CG-CG1 4.46Å; K158-I160 PolarHBondContact O-N 2.93Å; I160-E162 VanDerWaalsContact C-N 3.26Å; I160-E162 PolarHBondContact O-N 3.4Å; I160-M163 HydrophobicContact CB-CB 4.05Å; I160-M163 HydrophobicContact CG2-CB 3.81Å; I160-M163 HydrophobicContact CG2-CG 4.46Å; I160-M163 HydrophobicContact CG2-SD 4.08Å; I160-M163 PolarHBondContact O-N 2.84Å; I160-M163 VanDerWaalsContact O-N 3.1Å; I160-S164 PolarHBondContact O-N 3.41Å
161K59.5Low61.8Low137 Ų13773.6 Ų73.660%0.59639%0.394SS*.THydrogen-bonded Turntrans-57.8-37.2-176.4-166174.1-178.3175.60112.3T73 Y159 S164T73-K161 HydrophobicContact CG2-CD 4.38Å; Y159-K161 HydrophobicContact CE1-CB 4.28Å; K161-S164 PolarHBondContact O-OG 2.86Å
162E57.9Low59.7Low159 Ų15972.9 Ų72.974%0.74341%0.407SS*.THydrogen-bonded Turntrans-72.7-32.4178-67.1176.6174.500113.1I160 A165I160-E162 VanDerWaalsContact C-N 3.26Å; I160-E162 PolarHBondContact O-N 3.4Å; E162-A165 WeakPolarHBondContact O-CB 3.35Å; E162-A165 PolarHBondContact O-N 3.1Å
163M52.8Low57.7Low44 Ų4475.4 Ų75.422%0.21743%0.43CS..G310 helixtrans-77.4-21.4178.6-107.976.4-162.500113.3L104 I160 A165 F166L104-M163 HydrophobicContact CD1-CB 4.18Å; L104-M163 HydrophobicContact CD1-CG 4.1Å; L104-M163 HydrophobicContact CD2-CB 4.34Å; I160-M163 HydrophobicContact CB-CB 4.05Å; I160-M163 HydrophobicContact CG2-CB 3.81Å; I160-M163 HydrophobicContact CG2-CG 4.46Å; I160-M163 HydrophobicContact CG2-SD 4.08Å; I160-M163 PolarHBondContact O-N 2.84Å; I160-M163 VanDerWaalsContact O-N 3.1Å; M163-A165 PolarHBondContact O-N 3.34Å; M163-A165 VanDerWaalsContact O-N 3.13Å; M163-F166 HydrophobicContact CB-CD2 4.42Å; M163-F166 HydrophobicContact CE-CD2 4.12Å; M163-F166 HydrophobicContact CE-CE1 4.36Å; M163-F166 HydrophobicContact CE-CE2 3.6Å; M163-F166 HydrophobicContact CE-CZ 3.74Å; M163-F166 HydrophobicContact CG-CD2 3.94Å; M163-F166 HydrophobicContact CG-CE2 4.26Å; M163-F166 HydrophobicContact CG-CG 4.5Å; M163-F166 WeakPolarHBondContact O-CB 3.44Å; M163-F166 PolarHBondContact O-N 2.76Å; M163-F166 HydrophobicContact SD-CD2 4.31Å; M163-F166 HydrophobicContact SD-CE2 4.02Å
164S49.1Very low55.3Low44 Ų4479.2 Ų79.231%0.30847%0.469SS..G310 helixtrans-60.2-21.2172.873.50000113I160 K161I160-S164 PolarHBondContact O-N 3.41Å; K161-S164 PolarHBondContact O-OG 2.86Å
165A42Very low52.7Low59 Ų5980.3 Ų80.349%0.48849%0.489SS..G310 helixtrans-78.1-20.5172.900000114.1E162 M163 F167 K168E162-A165 WeakPolarHBondContact O-CB 3.35Å; E162-A165 PolarHBondContact O-N 3.1Å; M163-A165 PolarHBondContact O-N 3.34Å; M163-A165 VanDerWaalsContact O-N 3.13Å; A165-F167 VanDerWaalsContact C-N 3.27Å; A165-F167 PolarHBondContact O-N 2.78Å; A165-K168 WeakPolarHBondContact O-CA 3.31Å; A165-K168 WeakPolarHBondContact O-CB 3.5Å; A165-K168 PolarHBondContact O-N 3.46Å
166F46.3Very low49.9Very low108 Ų10888.4 Ų88.447%0.47453%0.532SS..G310 helixtrans-73.7-19.7177.6-75-102.7000112.7M163 K168 S169M163-F166 HydrophobicContact CB-CD2 4.42Å; M163-F166 HydrophobicContact CE-CD2 4.12Å; M163-F166 HydrophobicContact CE-CE1 4.36Å; M163-F166 HydrophobicContact CE-CE2 3.6Å; M163-F166 HydrophobicContact CE-CZ 3.74Å; M163-F166 HydrophobicContact CG-CD2 3.94Å; M163-F166 HydrophobicContact CG-CE2 4.26Å; M163-F166 HydrophobicContact CG-CG 4.5Å; M163-F166 WeakPolarHBondContact O-CB 3.44Å; M163-F166 PolarHBondContact O-N 2.76Å; M163-F166 HydrophobicContact SD-CD2 4.31Å; M163-F166 HydrophobicContact SD-CE2 4.02Å; F166-K168 PolarHBondContact O-N 2.82Å; F166-K168 VanDerWaalsContact O-N 3.08Å; F166-S169 PolarHBondContact O-N 3.38Å
167F48.7Very low47.4Very low75 Ų7593.1 Ų93.133%0.32956%0.558SS.*G310 helixtrans-65.5-5166-64.1-77.3000112.8K94 L104 A165K94-F167 HydrophobicContact CB-CE1 4.46Å; K94-F167 HydrophobicContact CD-CE1 4.16Å; L104-F167 HydrophobicContact CB-CZ 3.92Å; L104-F167 HydrophobicContact CD1-CE2 4.46Å; L104-F167 HydrophobicContact CD1-CZ 4.35Å; A165-F167 VanDerWaalsContact C-N 3.27Å; A165-F167 PolarHBondContact O-N 2.78Å
168K40.7Very low44.8Very low145 Ų14599 Ų9963%0.6360%0.597SS**G310 helixtrans-116.17.3177.2-62.3-176.6176.6178.60114.6A165 F166A165-K168 WeakPolarHBondContact O-CA 3.31Å; A165-K168 WeakPolarHBondContact O-CB 3.5Å; A165-K168 PolarHBondContact O-N 3.46Å; F166-K168 PolarHBondContact O-N 2.82Å; F166-K168 VanDerWaalsContact O-N 3.08Å
169S31Very low42.4Very low97 Ų97106.8 Ų106.868%0.67862%0.624SS**  trans-160115.9172.3-920000112.7F166F166-S169 PolarHBondContact O-N 3.38Å
170S27.9Very low40Very low128 Ų128112.1 Ų112.190%0.89566%0.656SS**  trans-132.1101.2158.759.20000108.1
171G27.3Very low37.8Very low71 Ų71116.1 Ų116.173%0.73269%0.687SS**  trans-173.876.1-178.800000112.7
172S30.6Very low36.6Very low125 Ų125115.1 Ų115.187%0.87469%0.694SS**  trans104.9147.3154.4-54.40000119.3
173P36.9Very low35.4Very low131 Ų131113.7 Ų113.785%0.85170%0.699SS**  trans-109.5157.4-148.239-27.5000113.1
174G34.5Very low34.2Very low80 Ų80117.1 Ų117.183%0.82573%0.727SS**  trans117.686.6160.700000114.1
175A29.3Very low33.4Very low95 Ų95121.3 Ų121.379%0.78575%0.751SS**  trans-149.5113.4146.400000107.2L177A175-L177 PolarHBondContact O-N 2.77Å
176N28.9Very low33Very low170 Ų170124.5 Ų124.591%0.90977%0.767SS**  trans-64.6126.3174.8-69.1-45.2000109
177L31.3Very low32.2Very low145 Ų145128 Ų12876%0.75979%0.785SS**  trans-93.4127.4165.1-82.9152.2000108.5A175A175-L177 PolarHBondContact O-N 2.77Å
178P32.1Very low31.7Very low125 Ų125136.4 Ų136.481%0.81281%0.814SS**  trans-99.6112.915923.4-7.5000109.4
179W31.5Very low30.9Very low225 Ų225135 Ų13585%0.85282%0.818SS**  trans-92.3118.2158.5-73.890.6000107.5
180D28.1Very low30.9Very low159 Ų159138.1 Ų138.185%0.8583%0.827SS**  trans-176.3108.6141.9-102.6-36.1000111.1
181S27.9Very low30.8Very low116 Ų116139.8 Ų139.881%0.81182%0.821SS**  trans161.7149.6138.9-72.90000112.8
182P33.1Very low30.8Very low116 Ų116142.8 Ų142.875%0.75382%0.824SS**  trans-87.4173.5-161.138.6-36.9000114.1
183P33.6Very low30.7Very low129 Ų129145.4 Ų145.484%0.83882%0.82SS**  trans-82.4138.7-155.233.5-31.9000112.5
184S27.1Very low30.7Very low117 Ų117145.3 Ų145.382%0.81882%0.82SS**  trans-106136.8158.7-59.40000108.8
185T31.8Very low30.8Very low131 Ų131145.1 Ų145.180%0.80481%0.81SS**  trans-38.1150.2-174.735.40000117.7Q187T185-Q187 PolarHBondContact O-N 2.84Å
186P35.3Very low31.7Very low127 Ų127147.4 Ų147.483%0.82581%0.805SS**  trans-77.1117.3-169.331.7-32.7000111.7
187Q28.1Very low32.7Very low181 Ų181141.1 Ų141.185%0.84677%0.772SS**  trans-90.8122.1154-81.4-179.1-26.500108.1T185 T189T185-Q187 PolarHBondContact O-N 2.84Å; Q187-T189 PolarHBondContact O-N 2.77Å
188R37.7Very low33.9Very low251 Ų251140.9 Ų140.995%0.94777%0.772SS**  trans-48.1103.3173.3-77-179.4-176.6174.70.4109.8
189T25Very low35.8Very low117 Ų117136.2 Ų136.272%0.71875%0.747SS**  trans-100.2123.1157.633.80000105.8Q187 E191Q187-T189 PolarHBondContact O-N 2.77Å; T189-E191 VanDerWaalsContact C-N 3.26Å; T189-E191 PolarHBondContact O-N 2.72Å
190N30.5Very low38.3Very low161 Ų161129.2 Ų129.286%0.86173%0.73SS**  trans-62.691.2172.2-90.5-10.3000108.1V192N190-V192 PolarHBondContact O-N 2.79Å
191E27.1Very low41.2Very low164 Ų164126.2 Ų126.277%0.76671%0.707SS**  trans-70.4111.4162.5-68.8-168165.600107.7T189 F193T189-E191 VanDerWaalsContact C-N 3.26Å; T189-E191 PolarHBondContact O-N 2.72Å; E191-F193 PolarHBondContact O-N 3.31Å
192V27Very low44.4Very low133 Ų133124.9 Ų124.981%0.80669%0.69SS**  trans-66.3103.5176176.40000107.9N190N190-V192 PolarHBondContact O-N 2.79Å
193F28.5Very low47.3Very low181 Ų181119.4 Ų119.479%0.79465%0.654SS**  trans-52.2136.4158-64.3-89.5000108.3E191 A195E191-F193 PolarHBondContact O-N 3.31Å; F193-A195 PolarHBondContact O-N 2.74Å
194P37.4Very low50.3Low129 Ų129116.2 Ų116.284%0.83863%0.634SS**  trans-60.9112.7173.824.7-30.6000107.5
195A36.3Very low53.5Low75 Ų75110.7 Ų110.762%0.6260%0.595SS**  trans-50.4145.1-170.700000112.1F193 V197F193-A195 PolarHBondContact O-N 2.74Å; A195-V197 PolarHBondContact O-N 2.81Å
196E46.8Very low56.5Low144 Ų144107.7 Ų107.767%0.67357%0.571SS**  trans-41.8139.2150.5-69175.9139.800109.1N198E196-N198 VanDerWaalsContact O-CG 3.29Å; E196-N198 PolarHBondContact O-N 2.78Å
197V51.2Low59.2Low38 Ų38102.1 Ų102.123%0.2353%0.534CS..  trans-69.183.9-173.4-174.20000108.8L17 A195 G199L17-V197 HydrophobicContact CD1-CG2 3.68Å; L17-V197 HydrophobicContact CD2-CG2 3.66Å; L17-V197 HydrophobicContact CG-CG2 4.3Å; A195-V197 PolarHBondContact O-N 2.81Å; V197-G199 PolarHBondContact O-N 3.05Å
198N55.9Low62.4Low139 Ų13994 Ų9474%0.74350%0.496SS*.  trans-8720.8-170.7-74.1-20.8000113.4E196E196-N198 VanDerWaalsContact O-CG 3.29Å; E196-N198 PolarHBondContact O-N 2.78Å
199G71.1Confident64.9Low28 Ų2882.3 Ų82.329%0.28945%0.453SS..SBendtrans-166.4165.4-178.900000115.7V197V197-G199 PolarHBondContact O-N 3.05Å
200P84.2Confident68.1Low78 Ų7877.1 Ų77.151%0.50642%0.421SS..  trans-63.2135.4177.726-33.5000111.2T35 V36 N37T35-P200 HydrophobicContact CG2-CB 4.16Å; V36-P200 WeakPolarHBondContact O-CA 3.37Å; N37-P200 WeakPolarHBondContact OD1-CB 3.47Å
201R90.4Very high70.8Confident95 Ų9570 Ų7036%0.35838%0.384SS..EExtended strand (participates in β ladder)trans-93.9133.9168-64.9-170.5-179.1-151.2-1.6109.2T35 V36 M235T35-R201 CarbonylContact C-O 3.57Å; T35-R201 WeakPolarHBondContact CA-O 3.39Å; V36-R201 PolarHBondContact N-O 3.27Å; V36-R201 PolarHBondContact O-N 2.85Å; R201-M235 HydrophobicContact CB-CE 3.71Å; R201-M235 HydrophobicContact CB-SD 3.8Å
202I93.7Very high73.4Confident89 Ų8966.2 Ų66.246%0.45636%0.362SS..EExtended strand (participates in β ladder)trans-128.6128.8-177-53.2175.8000109.1T33 L34 T35T33-I202 HydrophobicContact CG2-CG2 4.13Å; L34-I202 WeakPolarHBondContact O-CA 3.43Å; T35-I202 HydrophobicContact CG2-CG1 4Å
203I95.3Very high75.2Confident1 Ų164.2 Ų64.21%0.00534%0.343CS..EExtended strand (participates in β ladder)trans-115.3122.1167.2-77168.9000108.8T33 L34 C208 V226 N233 M235T33-I203 WeakPolarHBondContact CA-O 3.39Å; L34-I203 PolarHBondContact N-O 2.79Å; L34-I203 PolarHBondContact O-N 2.84Å; I203-C208 HydrophobicContact CG2-CB 4.23Å; I203-V226 HydrophobicContact CD1-CB 4.27Å; I203-V226 HydrophobicContact CD1-CG1 4.21Å; I203-V226 WeakPolarHBondContact CD1-O 3.22Å; I203-V226 HydrophobicContact CG2-CG1 3.97Å; I203-N233 HydrophobicContact CG1-CB 4.4Å; I203-M235 HydrophobicContact CB-CE 3.89Å; I203-M235 HydrophobicContact CD1-CB 3.99Å; I203-M235 HydrophobicContact CD1-CE 3.65Å; I203-M235 HydrophobicContact CD1-CG 3.64Å; I203-M235 HydrophobicContact CD1-SD 4.35Å; I203-M235 HydrophobicContact CG1-CE 3.45Å; I203-M235 VanDerWaalsContact CG1-CE 3.45Å; I203-M235 HydrophobicContact CG1-CG 4.45Å
204P95.3Very high76.8Confident62 Ų6257.1 Ų57.140%0.40331%0.312SS..EExtended strand (participates in β ladder)trans-61.8135.6167.3-20.232.5000110.8K206P204-K206 VanDerWaalsContact C-N 3.31Å
205L95.1Very high77.2Confident0 Ų056.7 Ų56.70%031%0.311CS..  trans-78.1-19.9-178.8-62.1179000112.8L29 T30 D32 L34 M207 C208 I252 A255 A256 L259L29-L205 HydrophobicContact CD1-CD1 3.56Å; L29-L205 HydrophobicContact CD1-CD2 3.99Å; L29-L205 HydrophobicContact CD1-CG 4.36Å; T30-L205 WeakPolarHBondContact O-CD1 3.45Å; D32-L205 WeakPolarHBondContact O-CB 3.36Å; D32-L205 PolarHBondContact O-N 3.28Å; L34-L205 HydrophobicContact CB-CD2 4.01Å; L205-M207 PolarHBondContact O-N 2.86Å; L205-C208 PolarHBondContact O-N 3.35Å; L205-C208 PolarHBondContact O-SG 3.29Å; L205-I252 HydrophobicContact CD2-CG2 3.96Å; L205-A255 HydrophobicContact CD1-CB 3.61Å; L205-A256 WeakPolarHBondContact O-CB 3.41Å; L205-L259 HydrophobicContact CB-CD1 3.94Å
206K94.3Very high78.1Confident69 Ų6957.8 Ų57.830%0.331%0.312SS..THydrogen-bonded Turntrans-53.4110.5176.4-178.1-179.7178.5179.50110.1P204 C208 S229 L259 V263 E266P204-K206 VanDerWaalsContact C-N 3.31Å; K206-C208 PolarHBondContact O-N 3.49Å; K206-C208 VanDerWaalsContact O-N 3.08Å; K206-S229 WeakPolarHBondContact O-CB 3.2Å; K206-L259 HydrophobicContact CB-CD1 4.25Å; K206-V263 HydrophobicContact CD-CG2 4.35Å; K206-V263 HydrophobicContact CG-CG2 3.76Å; K206-E266 VanDerWaalsContact CE-OE2 3.31Å; K206-E266 WeakPolarHBondContact CE-OE2 3.41Å; K206-E266 IonicContact NZ-OE1 3.48Å; K206-E266 IonicContact NZ-OE2 3.7Å; K206-E266 PolarHBondContact NZ-OE2 2.92Å
207M93.3Very high78.7Confident9 Ų955.8 Ų55.84%0.04431%0.311CS..THydrogen-bonded Turntrans50.229-177.5-51.4-42.8-64.100114.5L205 L260 V263 L279 W281 F295 F309L205-M207 PolarHBondContact O-N 2.86Å; M207-L260 HydrophobicContact CE-CD2 3.56Å; M207-L260 HydrophobicContact SD-CD2 3.52Å; M207-L260 VanDerWaalsContact SD-CD2 3.52Å; M207-V263 HydrophobicContact CG-CG1 4Å; M207-V263 HydrophobicContact CG-CG2 4.04Å; M207-V263 HydrophobicContact SD-CB 4.24Å; M207-V263 HydrophobicContact SD-CG1 3.98Å; M207-V263 HydrophobicContact SD-CG2 3.85Å; M207-L279 HydrophobicContact CE-CB 4.19Å; M207-W281 WeakPolarHBondContact O-CZ2 3.48Å; M207-W281 PolarHBondContact O-NE1 3.08Å; M207-F295 HydrophobicContact CB-CE2 4.39Å; M207-F295 HydrophobicContact CE-CE2 3.35Å; M207-F295 HydrophobicContact CE-CZ 3.68Å; M207-F295 HydrophobicContact CG-CE2 4.39Å; M207-F295 HydrophobicContact CG-CZ 4.45Å; M207-F309 HydrophobicContact CB-CB 4.46Å; M207-F309 HydrophobicContact CB-CD2 3.87Å; M207-F309 HydrophobicContact CB-CE2 4.29Å; M207-F309 HydrophobicContact CB-CG 4.04Å; M207-F309 HydrophobicContact CG-CD2 3.61Å; M207-F309 HydrophobicContact CG-CE2 3.53Å; M207-F309 HydrophobicContact CG-CG 4.18Å; M207-F309 HydrophobicContact CG-CZ 4.03Å
208C93.6Very high79.5Confident10 Ų1055 Ų557%0.06831%0.306CS..  trans-64.6150169.871.50000110.3I203 L205 K206 V226 I227I203-C208 HydrophobicContact CG2-CB 4.23Å; L205-C208 PolarHBondContact O-N 3.35Å; L205-C208 PolarHBondContact O-SG 3.29Å; K206-C208 PolarHBondContact O-N 3.49Å; K206-C208 VanDerWaalsContact O-N 3.08Å; C208-V226 HydrophobicContact CB-CG1 4.42Å; C208-I227 CarbonylContact C-O 3.57Å; C208-I227 VanDerWaalsContact CA-O 3.25Å; C208-I227 WeakPolarHBondContact CA-O 3.36Å; C208-I227 VanDerWaalsContact CB-O 3.31Å; C208-I227 WeakPolarHBondContact CB-O 3.29Å
209Q92.2Very high80Confident6 Ų654.5 Ų54.53%0.02831%0.308CS..EExtended strand (participates in β ladder)trans-99.9133.3171.4-175.2-178.618.100108.5V226 I227 R231 W281Q209-V226 WeakPolarHBondContact O-CA 3.26Å; Q209-I227 HydrophobicContact CB-CB 4.26Å; Q209-I227 PolarHBondContact N-O 3.42Å; Q209-I227 PolarHBondContact O-N 3.27Å; Q209-R231 VanDerWaalsContact OE1-NH2 3.11Å; Q209-W281 HydrophobicContact CB-CD2 4.19Å; Q209-W281 HydrophobicContact CB-CG 4.03Å; Q209-W281 HydrophobicContact CG-CB 4.31Å; Q209-W281 HydrophobicContact CG-CG 4.1Å
210V91.6Very high80.3Confident9 Ų957.6 Ų57.66%0.05532%0.315CS..EExtended strand (participates in β ladder)trans-113123171.8-166.80000107.8E225 V226 Y249 I252 Q253V210-E225 CarbonylContact C-O 3.54Å; V210-E225 VanDerWaalsContact CA-O 3.29Å; V210-E225 WeakPolarHBondContact CA-O 3.45Å; V210-V226 HydrophobicContact CG1-CG2 4.47Å; V210-Y249 HydrophobicContact CB-CD2 4.28Å; V210-Y249 HydrophobicContact CB-CE2 4.03Å; V210-Y249 HydrophobicContact CG1-CD2 3.37Å; V210-Y249 HydrophobicContact CG1-CE2 3.56Å; V210-Y249 HydrophobicContact CG1-CG 4.31Å; V210-I252 HydrophobicContact CG2-CB 4.23Å; V210-I252 HydrophobicContact CG2-CG2 3.48Å; V210-I252 VanDerWaalsContact CG2-CG2 3.48Å; V210-Q253 HydrophobicContact CB-CG 4.4Å; V210-Q253 HydrophobicContact CG2-CG 4.34Å
211S87.1Confident80.2Confident11 Ų1159 Ų598%0.07732%0.318CS..EExtended strand (participates in β ladder)trans-125.6153.9-179.2-164.50000111.7K213 F224 E225S211-K213 PolarHBondContact OG-N 3.1Å; S211-F224 CarbonylContact O-C 3.57Å; S211-F224 VanDerWaalsContact O-CA 3.31Å; S211-F224 WeakPolarHBondContact O-CA 3.42Å; S211-E225 PolarHBondContact N-O 3.25Å; S211-E225 PolarHBondContact O-N 2.87Å
212R80.4Confident80.1Confident84 Ų8456.4 Ų56.432%0.31731%0.308SS..  trans-116.4-2.9172.6-62.5-170.3-175.6-173.14.2113.6E214 F224 Q246 Y249R212-E214 PolarHBondContact O-N 2.95Å; R212-F224 HydrophobicContact CG-CB 4.48Å; R212-Q246 VanDerWaalsContact CZ-OE1 3.22Å; R212-Y249 HydrophobicContact CG-CD2 3.87Å; R212-Y249 HydrophobicContact CG-CE2 3.74Å; R212-Y249 VanDerWaalsContact NE-CD2 3.29Å
213K66.3Low79.9Confident91 Ų9154.3 Ų54.340%0.39630%0.295SS..  trans-84.6114.5-173.5-161.9170.5-173172.60108.7S211 E291 E345S211-K213 PolarHBondContact OG-N 3.1Å; K213-E291 IonicContact NZ-OE1 2.7Å; K213-E291 PolarHBondContact NZ-OE1 2.86Å; K213-E291 IonicContact NZ-OE2 2.75Å; K213-E345 IonicContact NZ-OE1 2.96Å; K213-E345 PolarHBondContact NZ-OE1 3.13Å
214E61.8Low79.7Confident33 Ų3354.3 Ų54.315%0.15430%0.295CS..  trans-124.1157.8174.9-149.1-157.4160.400111.6R16 R212 P216 Y223 F236R16-E214 IonicContact CZ-OE1 3.38Å; R16-E214 IonicContact NH1-OE1 2.87Å; R16-E214 PolarHBondContact NH1-OE1 3.42Å; R16-E214 IonicContact NH2-OE1 2.69Å; R212-E214 PolarHBondContact O-N 2.95Å; E214-P216 CarbonylContact C-O 3.55Å; E214-P216 CarbonylContact O-C 3.53Å; E214-Y223 VanDerWaalsContact OE2-CD2 3.26Å; E214-Y223 WeakPolarHBondContact OE2-CD2 3.29Å; E214-F236 HydrophobicContact CB-CE2 4.37Å; E214-F236 HydrophobicContact CB-CZ 4.21Å; E214-F236 HydrophobicContact CG-CE2 3.83Å; E214-F236 HydrophobicContact CG-CZ 3.68Å; E214-F236 WeakPolarHBondContact OE2-CE1 3.26Å; E214-F236 WeakPolarHBondContact OE2-CZ 3.43Å
215C46.2Very low79.5Confident119 Ų11953.8 Ų53.880%0.80429%0.287SS*.SBendtrans-123.6115167.5-73.30000108.6
216P54Low79.5Confident99 Ų9953.8 Ų53.864%0.64329%0.287SS*.SBendcis-71.8157.1530.3-33.8000113.1E214 D218E214-P216 CarbonylContact C-O 3.55Å; E214-P216 CarbonylContact O-C 3.53Å; P216-D218 PolarHBondContact O-N 3.28Å
217P60.4Low79.4Confident101 Ų10151.1 Ų51.166%0.65628%0.276SS*.  trans-60.9133.4-177.424.2-34000111.3T219P217-T219 PolarHBondContact O-N 3.08Å
218D66.8Low79.4Confident23 Ų2350.8 Ų50.812%0.12328%0.275CS..  trans-6896.8174-179.66.9000109.9P216 E220 N221 R222 Y223P216-D218 PolarHBondContact O-N 3.28Å; D218-E220 PolarHBondContact O-N 2.99Å; D218-E220 WeakPolarHBondContact OD1-CA 3.03Å; D218-E220 PolarHBondContact OD1-N 3.32Å; D218-N221 VanDerWaalsContact CG-N 3.26Å; D218-N221 PolarHBondContact OD1-N 3.37Å; D218-N221 VanDerWaalsContact OD2-C 3.24Å; D218-N221 WeakPolarHBondContact OD2-CA 3.43Å; D218-N221 PolarHBondContact OD2-N 2.79Å; D218-R222 PolarHBondContact OD2-N 2.69Å; D218-Y223 HydrophobicContact CB-CD2 3.57Å; D218-Y223 HydrophobicContact CB-CE2 4.06Å; D218-Y223 HydrophobicContact CB-CG 4.17Å; D218-Y223 WeakPolarHBondContact OD2-CB 3.48Å; D218-Y223 PolarHBondContact OD2-N 2.68Å
219T67.8Low79.3Confident127 Ų12750.8 Ų50.878%0.77928%0.275SS*.THydrogen-bonded Turntrans-67.6-14.6178.251.80000113P217P217-T219 PolarHBondContact O-N 3.08Å
220E76.3Confident79Confident93 Ų9352.8 Ų52.844%0.43529%0.285SS..THydrogen-bonded Turntrans-107.8-6.3-174.1-61.4-178.7-177.500112.9D218 R222 P242D218-E220 PolarHBondContact O-N 2.99Å; D218-E220 WeakPolarHBondContact OD1-CA 3.03Å; D218-E220 PolarHBondContact OD1-N 3.32Å; E220-R222 VanDerWaalsContact C-N 3.25Å; E220-R222 HydrophobicContact CB-CG 3.99Å; E220-R222 WeakPolarHBondContact O-CG 3.3Å; E220-R222 PolarHBondContact O-N 3.42Å; E220-R222 IonicContact OE2-CZ 3.9Å; E220-R222 IonicContact OE2-NE 3.13Å; E220-R222 PolarHBondContact OE2-NE 3.48Å; E220-R222 IonicContact OE2-NH2 2.64Å; E220-R222 PolarHBondContact OE2-NH2 3.41Å; E220-P242 VanDerWaalsContact O-CG 3.27Å; E220-P242 WeakPolarHBondContact O-CG 3.16Å
221N82.9Confident78.9Confident107 Ų10756 Ų5657%0.57230%0.297SS*.SBendtrans53.536.5-178-63-65.4000114.2D218 P242D218-N221 VanDerWaalsContact CG-N 3.26Å; D218-N221 PolarHBondContact OD1-N 3.37Å; D218-N221 VanDerWaalsContact OD2-C 3.24Å; D218-N221 WeakPolarHBondContact OD2-CA 3.43Å; D218-N221 PolarHBondContact OD2-N 2.79Å; N221-P242 HydrophobicContact CB-CB 4.31Å; N221-P242 WeakPolarHBondContact O-CA 3.45Å
222R88.8Confident78.9Confident42 Ų4263.7 Ų63.716%0.15833%0.329CS..  trans-103.8-8.7-179.7-59.9-163.8-64.2130.4-9113.6D218 E220 R238 A239 K240 P242D218-R222 PolarHBondContact OD2-N 2.69Å; E220-R222 VanDerWaalsContact C-N 3.25Å; E220-R222 HydrophobicContact CB-CG 3.99Å; E220-R222 WeakPolarHBondContact O-CG 3.3Å; E220-R222 PolarHBondContact O-N 3.42Å; E220-R222 IonicContact OE2-CZ 3.9Å; E220-R222 IonicContact OE2-NE 3.13Å; E220-R222 PolarHBondContact OE2-NE 3.48Å; E220-R222 IonicContact OE2-NH2 2.64Å; E220-R222 PolarHBondContact OE2-NH2 3.41Å; R222-R238 HydrophobicContact CB-CG 4.39Å; R222-A239 PolarHBondContact NH1-O 2.87Å; R222-A239 PolarHBondContact O-N 3.39Å; R222-K240 WeakPolarHBondContact CD-O 3.41Å; R222-K240 PolarHBondContact NH1-O 2.89Å; R222-P242 HydrophobicContact CG-CG 4.22Å
223Y88.4Confident79.3Confident45 Ų4564 Ų6418%0.17634%0.337CS..EExtended strand (participates in β ladder)trans-100.8147.3-171.8-52.1-18.7000111.7W22 E214 D218 F236 L237 R238W22-Y223 HydrophobicContact CH2-CD1 4.46Å; E214-Y223 VanDerWaalsContact OE2-CD2 3.26Å; E214-Y223 WeakPolarHBondContact OE2-CD2 3.29Å; D218-Y223 HydrophobicContact CB-CD2 3.57Å; D218-Y223 HydrophobicContact CB-CE2 4.06Å; D218-Y223 HydrophobicContact CB-CG 4.17Å; D218-Y223 WeakPolarHBondContact OD2-CB 3.48Å; D218-Y223 PolarHBondContact OD2-N 2.68Å; Y223-F236 HydrophobicContact CD2-CE1 4.18Å; Y223-F236 AromaticContact CD2-CZ 3.99Å; Y223-F236 HydrophobicContact CD2-CZ 3.99Å; Y223-F236 HydrophobicContact CG-CE1 4.15Å; Y223-F236 HydrophobicContact CG-CZ 4.01Å; Y223-L237 WeakPolarHBondContact CA-O 3.43Å; Y223-R238 HydrophobicContact CD1-CB 3.73Å; Y223-R238 HydrophobicContact CD1-CG 3.64Å; Y223-R238 HydrophobicContact CE1-CB 4Å; Y223-R238 HydrophobicContact CE1-CG 3.51Å
224F91.1Very high80.5Confident1 Ų162.3 Ų62.30%0.00434%0.336CS..EExtended strand (participates in β ladder)trans-153.7147.8167.559.9-81.9000109.7L13 S211 R212 V226 L237 A245 W248 I252L13-F224 HydrophobicContact CD1-CZ 3.79Å; S211-F224 CarbonylContact O-C 3.57Å; S211-F224 VanDerWaalsContact O-CA 3.31Å; S211-F224 WeakPolarHBondContact O-CA 3.42Å; R212-F224 HydrophobicContact CG-CB 4.48Å; F224-V226 HydrophobicContact CD2-CG2 3.99Å; F224-V226 HydrophobicContact CE2-CG2 4.09Å; F224-L237 HydrophobicContact CD2-CB 4.27Å; F224-L237 HydrophobicContact CD2-CD1 4.4Å; F224-L237 HydrophobicContact CE1-CB 4.08Å; F224-L237 HydrophobicContact CE2-CB 3.83Å; F224-L237 HydrophobicContact CE2-CD1 3.57Å; F224-L237 HydrophobicContact CE2-CG 4.32Å; F224-L237 HydrophobicContact CZ-CB 3.72Å; F224-L237 HydrophobicContact CZ-CD1 3.95Å; F224-L237 HydrophobicContact CZ-CG 4.5Å; F224-L237 PolarHBondContact N-O 3.49Å; F224-L237 PolarHBondContact O-N 2.79Å; F224-A245 HydrophobicContact CD1-CB 4.34Å; F224-W248 HydrophobicContact CE1-CB 3.99Å; F224-W248 HydrophobicContact CE2-CB 4.34Å; F224-W248 HydrophobicContact CZ-CB 3.66Å; F224-W248 HydrophobicContact CZ-CG 4.19Å; F224-I252 HydrophobicContact CD2-CD1 4.39Å; F224-I252 HydrophobicContact CE2-CD1 3.76Å
225E91.5Very high81.9Confident51 Ų5161 Ų6124%0.23833%0.33CS..EExtended strand (participates in β ladder)trans-108.2136.1174.2-164.4178.9-164.500109.6V210 S211 I227 S234 M235 F236V210-E225 CarbonylContact C-O 3.54Å; V210-E225 VanDerWaalsContact CA-O 3.29Å; V210-E225 WeakPolarHBondContact CA-O 3.45Å; S211-E225 PolarHBondContact N-O 3.25Å; S211-E225 PolarHBondContact O-N 2.87Å; E225-I227 HydrophobicContact CG-CD1 4.38Å; E225-I227 HydrophobicContact CG-CG1 3.83Å; E225-S234 WeakPolarHBondContact OE1-CB 3.49Å; E225-S234 PolarHBondContact OE1-OG 3.35Å; E225-M235 WeakPolarHBondContact CA-O 3.34Å; E225-F236 HydrophobicContact CB-CD2 3.83Å; E225-F236 HydrophobicContact CB-CE2 4.32Å; E225-F236 HydrophobicContact CG-CD2 4.08Å
226V93.9Very high84Confident0 Ų056.4 Ų56.40%030%0.297CS..EExtended strand (participates in β ladder)trans-112.2124.5168.8-171.40000107.8L34 I203 C208 Q209 V210 F224 S234 M235 L237 I252L34-V226 HydrophobicContact CD2-CB 4.21Å; L34-V226 HydrophobicContact CD2-CG1 4.23Å; L34-V226 HydrophobicContact CD2-CG2 3.79Å; I203-V226 HydrophobicContact CD1-CB 4.27Å; I203-V226 HydrophobicContact CD1-CG1 4.21Å; I203-V226 WeakPolarHBondContact CD1-O 3.22Å; I203-V226 HydrophobicContact CG2-CG1 3.97Å; C208-V226 HydrophobicContact CB-CG1 4.42Å; Q209-V226 WeakPolarHBondContact O-CA 3.26Å; V210-V226 HydrophobicContact CG1-CG2 4.47Å; F224-V226 HydrophobicContact CD2-CG2 3.99Å; F224-V226 HydrophobicContact CE2-CG2 4.09Å; V226-S234 CarbonylContact O-C 3.49Å; V226-S234 VanDerWaalsContact O-CA 3.23Å; V226-S234 WeakPolarHBondContact O-CA 3.4Å; V226-M235 PolarHBondContact N-O 2.91Å; V226-M235 PolarHBondContact O-N 3.07Å; V226-L237 HydrophobicContact CG2-CD1 4.32Å; V226-I252 HydrophobicContact CG2-CD1 3.93Å
227I93.3Very high85.8Confident12 Ų1251.7 Ų51.76%0.06227%0.266CS..EExtended strand (participates in β ladder)trans-120.2132.7-174.9-51.8168.6000108C208 Q209 E225 R231C208-I227 CarbonylContact C-O 3.57Å; C208-I227 VanDerWaalsContact CA-O 3.25Å; C208-I227 WeakPolarHBondContact CA-O 3.36Å; C208-I227 VanDerWaalsContact CB-O 3.31Å; C208-I227 WeakPolarHBondContact CB-O 3.29Å; Q209-I227 HydrophobicContact CB-CB 4.26Å; Q209-I227 PolarHBondContact N-O 3.42Å; Q209-I227 PolarHBondContact O-N 3.27Å; E225-I227 HydrophobicContact CG-CD1 4.38Å; E225-I227 HydrophobicContact CG-CG1 3.83Å; I227-R231 HydrophobicContact CG2-CB 4.19Å; I227-R231 HydrophobicContact CG2-CG 4.4Å
228S93.4Very high87.3Confident3 Ų349.2 Ų49.22%0.02124%0.243CC..  trans-63.8159.2177.761.70000112.7N230 R231 K232 N233S228-N230 VanDerWaalsContact C-N 3.25Å; S228-N230 PolarHBondContact O-N 3.47Å; S228-N230 PolarHBondContact OG-OD1 2.87Å; S228-R231 WeakPolarHBondContact O-CA 3.27Å; S228-R231 PolarHBondContact O-N 2.89Å; S228-K232 PolarHBondContact OG-N 2.75Å; S228-N233 PolarHBondContact N-O 3.18Å; S228-N233 PolarHBondContact OG-N 3.15Å; S228-N233 VanDerWaalsContact OG-N 3.09Å; S228-N233 PolarHBondContact OG-O 3.17Å
229S91.6Very high88.6Confident10 Ų1048.1 Ų48.17%0.0724%0.237CC..THydrogen-bonded Turntrans-49.6-42.2177.354.40000114.2K206 R231 W281 F309 E311K206-S229 WeakPolarHBondContact O-CB 3.2Å; S229-R231 VanDerWaalsContact C-N 3.3Å; S229-W281 WeakPolarHBondContact O-CH2 3.1Å; S229-W281 WeakPolarHBondContact O-CZ2 3.13Å; S229-F309 WeakPolarHBondContact O-CB 3.38Å; S229-F309 PolarHBondContact O-N 2.9Å; S229-F309 VanDerWaalsContact O-N 3.11Å; S229-E311 PolarHBondContact OG-OE1 3.2Å
230N86Confident89.7Confident47 Ų4749.9 Ų49.925%0.25124%0.235SC..THydrogen-bonded Turntrans-85.90.6178.963.617.4000113.7S228 K232S228-N230 VanDerWaalsContact C-N 3.25Å; S228-N230 PolarHBondContact O-N 3.47Å; S228-N230 PolarHBondContact OG-OD1 2.87Å; N230-K232 HydrophobicContact CB-CG 4.46Å; N230-K232 PolarHBondContact O-N 3.32Å; N230-K232 VanDerWaalsContact O-N 3.09Å; N230-K232 WeakPolarHBondContact OD1-CB 3.43Å; N230-K232 PolarHBondContact OD1-N 3.03Å
231R88.4Confident90.4Very high78 Ų7848.1 Ų48.129%0.29423%0.228SC..SBendtrans58.613.4-178.6-46.5-173.47081.912116.1Q209 I227 S228 S229 W281 P293 S307Q209-R231 VanDerWaalsContact OE1-NH2 3.11Å; I227-R231 HydrophobicContact CG2-CB 4.19Å; I227-R231 HydrophobicContact CG2-CG 4.4Å; S228-R231 WeakPolarHBondContact O-CA 3.27Å; S228-R231 PolarHBondContact O-N 2.89Å; S229-R231 VanDerWaalsContact C-N 3.3Å; R231-W281 HydrophobicContact CG-CH2 4.09Å; R231-W281 HydrophobicContact CG-CZ3 4.47Å; R231-P293 VanDerWaalsContact NH1-CB 3.34Å; R231-S307 WeakPolarHBondContact CD-O 3.14Å
232K86.9Confident90.8Very high172 Ų17246.1 Ų46.175%0.74822%0.221SC*.SBendtrans-81.2-28.9179.9-66-177.3178.5177.60112.9S228 N230S228-K232 PolarHBondContact OG-N 2.75Å; N230-K232 HydrophobicContact CB-CG 4.46Å; N230-K232 PolarHBondContact O-N 3.32Å; N230-K232 VanDerWaalsContact O-N 3.09Å; N230-K232 WeakPolarHBondContact OD1-CB 3.43Å; N230-K232 PolarHBondContact OD1-N 3.03Å
233N88.7Confident91Very high91 Ų9147.5 Ų47.549%0.48724%0.241SC..  trans-117.1132.5-179.8-62.6-34.1000109.2I203 S228I203-N233 HydrophobicContact CG1-CB 4.4Å; S228-N233 PolarHBondContact N-O 3.18Å; S228-N233 PolarHBondContact OG-N 3.15Å; S228-N233 VanDerWaalsContact OG-N 3.09Å; S228-N233 PolarHBondContact OG-O 3.17Å
234S91.5Very high91.4Very high55 Ų5548.1 Ų48.139%0.38525%0.246SC..EExtended strand (participates in β ladder)trans-134151.316675.60000111.7E225 V226E225-S234 WeakPolarHBondContact OE1-CB 3.49Å; E225-S234 PolarHBondContact OE1-OG 3.35Å; V226-S234 CarbonylContact O-C 3.49Å; V226-S234 VanDerWaalsContact O-CA 3.23Å; V226-S234 WeakPolarHBondContact O-CA 3.4Å
235M91.6Very high91.4Very high5 Ų548.2 Ų48.23%0.02525%0.247CC..EExtended strand (participates in β ladder)trans-125113.6174-69.1-166.9-127.900108.3L15 V36 R201 I203 E225 V226 L237L15-M235 HydrophobicContact CD1-CB 4Å; L15-M235 HydrophobicContact CD1-CG 4.23Å; V36-M235 HydrophobicContact CB-SD 3.83Å; V36-M235 HydrophobicContact CG2-CE 4.43Å; V36-M235 HydrophobicContact CG2-SD 3.47Å; V36-M235 WeakPolarHBondContact CG2-SD 3.47Å; R201-M235 HydrophobicContact CB-CE 3.71Å; R201-M235 HydrophobicContact CB-SD 3.8Å; I203-M235 HydrophobicContact CB-CE 3.89Å; I203-M235 HydrophobicContact CD1-CB 3.99Å; I203-M235 HydrophobicContact CD1-CE 3.65Å; I203-M235 HydrophobicContact CD1-CG 3.64Å; I203-M235 HydrophobicContact CD1-SD 4.35Å; I203-M235 HydrophobicContact CG1-CE 3.45Å; I203-M235 VanDerWaalsContact CG1-CE 3.45Å; I203-M235 HydrophobicContact CG1-CG 4.45Å; E225-M235 WeakPolarHBondContact CA-O 3.34Å; V226-M235 PolarHBondContact N-O 2.91Å; V226-M235 PolarHBondContact O-N 3.07Å; M235-L237 HydrophobicContact CB-CD1 4.39Å; M235-L237 HydrophobicContact CB-CG 4.27Å
236F91.3Very high91.4Very high23 Ų2349.3 Ų49.310%0.10125%0.252CS..EExtended strand (participates in β ladder)trans-91.8114.2173.9-165.4-99.1000109.3R16 W22 E214 Y223 E225R16-F236 HydrophobicContact CB-CB 4.07Å; R16-F236 HydrophobicContact CB-CD1 3.87Å; R16-F236 HydrophobicContact CB-CG 4.44Å; R16-F236 HydrophobicContact CG-CD1 4.37Å; R16-F236 PolarHBondContact N-O 2.86Å; W22-F236 AromaticContact CH2-CD1 3.37Å; W22-F236 HydrophobicContact CH2-CD1 3.37Å; W22-F236 AromaticContact CH2-CE1 3.4Å; W22-F236 HydrophobicContact CH2-CE1 3.4Å; W22-F236 VanDerWaalsContact CH2-CE1 3.4Å; W22-F236 AromaticContact CZ2-CD1 3.98Å; W22-F236 HydrophobicContact CZ2-CD1 3.98Å; W22-F236 AromaticContact CZ2-CE1 3.85Å; W22-F236 HydrophobicContact CZ2-CE1 3.85Å; W22-F236 HydrophobicContact CZ3-CD1 4.11Å; W22-F236 HydrophobicContact CZ3-CE1 4.48Å; E214-F236 HydrophobicContact CB-CE2 4.37Å; E214-F236 HydrophobicContact CB-CZ 4.21Å; E214-F236 HydrophobicContact CG-CE2 3.83Å; E214-F236 HydrophobicContact CG-CZ 3.68Å; E214-F236 WeakPolarHBondContact OE2-CE1 3.26Å; E214-F236 WeakPolarHBondContact OE2-CZ 3.43Å; Y223-F236 HydrophobicContact CD2-CE1 4.18Å; Y223-F236 AromaticContact CD2-CZ 3.99Å; Y223-F236 HydrophobicContact CD2-CZ 3.99Å; Y223-F236 HydrophobicContact CG-CE1 4.15Å; Y223-F236 HydrophobicContact CG-CZ 4.01Å; E225-F236 HydrophobicContact CB-CD2 3.83Å; E225-F236 HydrophobicContact CB-CE2 4.32Å; E225-F236 HydrophobicContact CG-CD2 4.08Å
237L92.1Very high91.5Very high0 Ų052.2 Ų52.20%027%0.273CS..EExtended strand (participates in β ladder)trans-119.6143.6-167.5-64.5167.4000110.7L13 E14 L15 L34 V36 Y223 F224 V226 M235L13-L237 HydrophobicContact CB-CD2 4.48Å; L13-L237 HydrophobicContact CD1-CB 4.42Å; L13-L237 HydrophobicContact CD1-CD1 4.13Å; L13-L237 HydrophobicContact CD1-CD2 4.43Å; E14-L237 CarbonylContact O-C 3.5Å; E14-L237 VanDerWaalsContact O-CA 3.31Å; E14-L237 WeakPolarHBondContact O-CA 3.38Å; L15-L237 HydrophobicContact CB-CD2 4.13Å; L15-L237 HydrophobicContact CD1-CD2 3.85Å; L34-L237 HydrophobicContact CD2-CD1 4.05Å; V36-L237 HydrophobicContact CG2-CD2 4.37Å; Y223-L237 WeakPolarHBondContact CA-O 3.43Å; F224-L237 HydrophobicContact CD2-CB 4.27Å; F224-L237 HydrophobicContact CD2-CD1 4.4Å; F224-L237 HydrophobicContact CE1-CB 4.08Å; F224-L237 HydrophobicContact CE2-CB 3.83Å; F224-L237 HydrophobicContact CE2-CD1 3.57Å; F224-L237 HydrophobicContact CE2-CG 4.32Å; F224-L237 HydrophobicContact CZ-CB 3.72Å; F224-L237 HydrophobicContact CZ-CD1 3.95Å; F224-L237 HydrophobicContact CZ-CG 4.5Å; F224-L237 PolarHBondContact N-O 3.49Å; F224-L237 PolarHBondContact O-N 2.79Å; V226-L237 HydrophobicContact CG2-CD1 4.32Å; M235-L237 HydrophobicContact CB-CD1 4.39Å; M235-L237 HydrophobicContact CB-CG 4.27Å
238R91.5Very high91.6Very high48 Ų4851.9 Ų51.918%0.18127%0.271CS..EExtended strand (participates in β ladder)trans-122.1130.3174.8172.6173.482.9-178.86.1109.8E14 W22 R222 Y223E14-R238 HydrophobicContact CB-CB 4.21Å; E14-R238 PolarHBondContact N-O 3.19Å; E14-R238 PolarHBondContact O-N 3.18Å; E14-R238 IonicContact OE1-CZ 3.67Å; E14-R238 IonicContact OE1-NH2 2.87Å; E14-R238 PolarHBondContact OE1-NH2 3.42Å; E14-R238 IonicContact OE2-CZ 2.67Å; E14-R238 IonicContact OE2-NE 3.92Å; E14-R238 PolarHBondContact OE2-NE 2.92Å; E14-R238 IonicContact OE2-NH2 3.65Å; E14-R238 PolarHBondContact OE2-NH2 2.87Å; W22-R238 HydrophobicContact CE3-CB 3.95Å; W22-R238 HydrophobicContact CH2-CB 3.63Å; W22-R238 HydrophobicContact CZ3-CB 3.3Å; R222-R238 HydrophobicContact CB-CG 4.39Å; Y223-R238 HydrophobicContact CD1-CB 3.73Å; Y223-R238 HydrophobicContact CD1-CG 3.64Å; Y223-R238 HydrophobicContact CE1-CB 4Å; Y223-R238 HydrophobicContact CE1-CG 3.51Å
239A93.2Very high91.6Very high0 Ų052.3 Ų52.30%027%0.272CS..  trans-91.5164.8172.700000111.8L13 R222 D241 M244 A245L13-A239 HydrophobicContact CD2-CB 3.96Å; R222-A239 PolarHBondContact NH1-O 2.87Å; R222-A239 PolarHBondContact O-N 3.39Å; A239-D241 VanDerWaalsContact C-N 3.28Å; A239-D241 PolarHBondContact O-N 2.87Å; A239-M244 HydrophobicContact CB-CB 3.98Å; A239-M244 HydrophobicContact CB-CG 3.91Å; A239-M244 HydrophobicContact CB-SD 4.16Å; A239-A245 HydrophobicContact CB-CB 3.76Å
240K91.6Very high91.6Very high165 Ų16555.6 Ų55.672%0.71729%0.289SS*.SBendtrans-60.3-40.1176.4-175-177.8177.7-1760112.1R222 M244R222-K240 WeakPolarHBondContact CD-O 3.41Å; R222-K240 PolarHBondContact NH1-O 2.89Å; K240-M244 HydrophobicContact CB-CE 3.88Å; K240-M244 HydrophobicContact CB-SD 3.89Å; K240-M244 HydrophobicContact CD-CE 4.46Å
241D91.5Very high92.1Very high56 Ų5654.6 Ų54.630%0.29929%0.287SS..SBendtrans-148165.3-174.56273.1000110.8A239 A243 M244 A245A239-D241 VanDerWaalsContact C-N 3.28Å; A239-D241 PolarHBondContact O-N 2.87Å; D241-A243 VanDerWaalsContact C-N 3.31Å; D241-A243 PolarHBondContact O-N 2.93Å; D241-A243 WeakPolarHBondContact OD1-CB 3.45Å; D241-A243 PolarHBondContact OD1-N 2.92Å; D241-A243 VanDerWaalsContact OD1-N 3.13Å; D241-M244 PolarHBondContact O-N 2.67Å; D241-M244 WeakPolarHBondContact OD1-CB 3.42Å; D241-M244 PolarHBondContact OD1-N 3.13Å; D241-A245 PolarHBondContact O-N 3.34Å
242P91.4Very high92.4Very high64 Ų6450.9 Ų50.942%0.41627%0.273SS..Hα-helixtrans-65.6-32.7-174.9-18.631.1000113.1E220 N221 R222 A245 Q246E220-P242 VanDerWaalsContact O-CG 3.27Å; E220-P242 WeakPolarHBondContact O-CG 3.16Å; N221-P242 HydrophobicContact CB-CB 4.31Å; N221-P242 WeakPolarHBondContact O-CA 3.45Å; R222-P242 HydrophobicContact CG-CG 4.22Å; P242-A245 PolarHBondContact O-N 2.78Å; P242-Q246 WeakPolarHBondContact O-CB 3.37Å; P242-Q246 PolarHBondContact O-N 2.86Å
243A93.2Very high92.7Very high71 Ų7145 Ų4559%0.58725%0.249SC*.Hα-helixtrans-68.2-39.2178.500000111D241 Q246 S247D241-A243 VanDerWaalsContact C-N 3.31Å; D241-A243 PolarHBondContact O-N 2.93Å; D241-A243 WeakPolarHBondContact OD1-CB 3.45Å; D241-A243 PolarHBondContact OD1-N 2.92Å; D241-A243 VanDerWaalsContact OD1-N 3.13Å; A243-Q246 PolarHBondContact O-N 3.02Å; A243-S247 VanDerWaalsContact O-CB 3.32Å; A243-S247 WeakPolarHBondContact O-CB 3.43Å; A243-S247 PolarHBondContact O-N 2.82Å
244M94.8Very high92.9Very high59 Ų5943.7 Ų43.729%0.29125%0.25SC..Hα-helixtrans-64.7-44.7173.3-174.7-177.6-64.800111.3A239 K240 D241 Q246 S247 W248A239-M244 HydrophobicContact CB-CB 3.98Å; A239-M244 HydrophobicContact CB-CG 3.91Å; A239-M244 HydrophobicContact CB-SD 4.16Å; K240-M244 HydrophobicContact CB-CE 3.88Å; K240-M244 HydrophobicContact CB-SD 3.89Å; K240-M244 HydrophobicContact CD-CE 4.46Å; D241-M244 PolarHBondContact O-N 2.67Å; D241-M244 WeakPolarHBondContact OD1-CB 3.42Å; D241-M244 PolarHBondContact OD1-N 3.13Å; M244-Q246 PolarHBondContact O-N 2.82Å; M244-S247 PolarHBondContact O-N 3.4Å; M244-W248 VanDerWaalsContact O-CD1 3.25Å; M244-W248 PolarHBondContact O-N 2.76Å
245A92.5Very high93Very high2 Ų241.2 Ų41.22%0.01723%0.233CC..Hα-helixtrans-58.3-47.8174.400000111.3F224 A239 D241 P242 S247 W248 Y249F224-A245 HydrophobicContact CD1-CB 4.34Å; A239-A245 HydrophobicContact CB-CB 3.76Å; D241-A245 PolarHBondContact O-N 3.34Å; P242-A245 PolarHBondContact O-N 2.78Å; A245-S247 VanDerWaalsContact C-N 3.33Å; A245-S247 PolarHBondContact O-N 3.47Å; A245-W248 PolarHBondContact O-N 3.01Å; A245-Y249 WeakPolarHBondContact O-CB 3.4Å; A245-Y249 PolarHBondContact O-N 3.49Å
246Q91.7Very high93.1Very high74 Ų7441.6 Ų41.635%0.34624%0.237SC..Hα-helixtrans-58.8-44175.9-17768.947.900112.2R212 P242 A243 M244 Y249 N250R212-Q246 VanDerWaalsContact CZ-OE1 3.22Å; P242-Q246 WeakPolarHBondContact O-CB 3.37Å; P242-Q246 PolarHBondContact O-N 2.86Å; A243-Q246 PolarHBondContact O-N 3.02Å; M244-Q246 PolarHBondContact O-N 2.82Å; Q246-Y249 PolarHBondContact O-N 3.24Å; Q246-N250 PolarHBondContact NE2-ND2 3.39Å; Q246-N250 PolarHBondContact NE2-OD1 3.27Å; Q246-N250 WeakPolarHBondContact O-CB 3.24Å; Q246-N250 VanDerWaalsContact O-CG 3.25Å; Q246-N250 PolarHBondContact O-N 2.9Å
247S95.3Very high93.1Very high62 Ų6242.9 Ų42.943%0.43425%0.252SS..Hα-helixtrans-64.4-39.3178.6-1780000111.9K9 A243 M244 A245 A251K9-S247 PolarHBondContact NZ-O 3.09Å; K9-S247 VanDerWaalsContact NZ-O 3.09Å; K9-S247 PolarHBondContact NZ-OG 2.74Å; A243-S247 VanDerWaalsContact O-CB 3.32Å; A243-S247 WeakPolarHBondContact O-CB 3.43Å; A243-S247 PolarHBondContact O-N 2.82Å; M244-S247 PolarHBondContact O-N 3.4Å; A245-S247 VanDerWaalsContact C-N 3.33Å; A245-S247 PolarHBondContact O-N 3.47Å; S247-A251 VanDerWaalsContact O-CB 3.31Å; S247-A251 WeakPolarHBondContact O-CB 3.4Å; S247-A251 PolarHBondContact O-N 3.25Å; S247-A251 VanDerWaalsContact O-N 3.15Å
248W95.3Very high93.3Very high4 Ų446.3 Ų46.32%0.01528%0.276CS..Hα-helixtrans-67.9-47.4174.9-85.6105.2000111.9K9 L13 A27 L29 L34 F224 M244 A245 N250 A251 I252K9-W248 HydrophobicContact CB-CH2 4.45Å; K9-W248 HydrophobicContact CD-CD2 4.16Å; K9-W248 HydrophobicContact CD-CE3 4.17Å; K9-W248 HydrophobicContact CD-CH2 4.36Å; K9-W248 HydrophobicContact CD-CZ2 4.34Å; K9-W248 HydrophobicContact CD-CZ3 4.29Å; K9-W248 HydrophobicContact CG-CH2 3.97Å; K9-W248 HydrophobicContact CG-CZ2 4.08Å; K9-W248 HydrophobicContact CG-CZ3 4.27Å; K9-W248 VanDerWaalsContact NZ-N 3.19Å; L13-W248 HydrophobicContact CD1-CD2 4.11Å; L13-W248 HydrophobicContact CD1-CE3 4.5Å; L13-W248 HydrophobicContact CD1-CG 4.39Å; L13-W248 HydrophobicContact CD1-CZ2 4.41Å; L13-W248 HydrophobicContact CD2-CG 4.42Å; A27-W248 HydrophobicContact CB-CH2 3.79Å; A27-W248 HydrophobicContact CB-CZ2 4.16Å; A27-W248 HydrophobicContact CB-CZ3 4.27Å; L29-W248 HydrophobicContact CB-CZ3 3.98Å; L34-W248 HydrophobicContact CD1-CZ3 4.12Å; F224-W248 HydrophobicContact CE1-CB 3.99Å; F224-W248 HydrophobicContact CE2-CB 4.34Å; F224-W248 HydrophobicContact CZ-CB 3.66Å; F224-W248 HydrophobicContact CZ-CG 4.19Å; M244-W248 VanDerWaalsContact O-CD1 3.25Å; M244-W248 PolarHBondContact O-N 2.76Å; A245-W248 PolarHBondContact O-N 3.01Å; W248-N250 PolarHBondContact O-N 2.98Å; W248-A251 PolarHBondContact O-N 3.17Å; W248-I252 HydrophobicContact CE3-CD1 4.37Å; W248-I252 WeakPolarHBondContact O-CD1 3.29Å; W248-I252 VanDerWaalsContact O-CG1 3.27Å; W248-I252 WeakPolarHBondContact O-CG1 3.45Å; W248-I252 PolarHBondContact O-N 3.15Å
249Y92.8Very high93.4Very high12 Ų1245.1 Ų45.15%0.04727%0.273CS..Hα-helixtrans-54.2-51.1176.3-178.2-89.4000112.1V210 R212 A245 Q246 A251 I252 Q253V210-Y249 HydrophobicContact CB-CD2 4.28Å; V210-Y249 HydrophobicContact CB-CE2 4.03Å; V210-Y249 HydrophobicContact CG1-CD2 3.37Å; V210-Y249 HydrophobicContact CG1-CE2 3.56Å; V210-Y249 HydrophobicContact CG1-CG 4.31Å; R212-Y249 HydrophobicContact CG-CD2 3.87Å; R212-Y249 HydrophobicContact CG-CE2 3.74Å; R212-Y249 VanDerWaalsContact NE-CD2 3.29Å; A245-Y249 WeakPolarHBondContact O-CB 3.4Å; A245-Y249 PolarHBondContact O-N 3.49Å; Q246-Y249 PolarHBondContact O-N 3.24Å; Y249-A251 VanDerWaalsContact C-N 3.34Å; Y249-A251 PolarHBondContact O-N 3.4Å; Y249-I252 PolarHBondContact O-N 3.45Å; Y249-Q253 HydrophobicContact CD1-CG 4.28Å; Y249-Q253 HydrophobicContact CE1-CG 4.04Å; Y249-Q253 VanDerWaalsContact CZ-NE2 3.33Å; Y249-Q253 WeakPolarHBondContact O-CB 3.42Å; Y249-Q253 WeakPolarHBondContact O-CG 3.23Å; Y249-Q253 PolarHBondContact O-N 3.25Å; Y249-Q253 PolarHBondContact OH-NE2 3.5Å
250N93Very high93.4Very high79 Ų7947.5 Ų47.542%0.42229%0.285SS..Hα-helixtrans-62.8-40.1179.4-71.6-5.3000112.1Q246 W248 A254Q246-N250 PolarHBondContact NE2-ND2 3.39Å; Q246-N250 PolarHBondContact NE2-OD1 3.27Å; Q246-N250 WeakPolarHBondContact O-CB 3.24Å; Q246-N250 VanDerWaalsContact O-CG 3.25Å; Q246-N250 PolarHBondContact O-N 2.9Å; W248-N250 PolarHBondContact O-N 2.98Å; N250-A254 VanDerWaalsContact O-CB 3.25Å; N250-A254 WeakPolarHBondContact O-CB 3.45Å; N250-A254 PolarHBondContact O-N 3.45Å
251A95.3Very high93.5Very high27 Ų2743.8 Ų43.822%0.22328%0.278CS..Hα-helixtrans-65.7-44.6179.400000111.8K9 L29 S247 W248 Y249 A254 A255K9-A251 HydrophobicContact CD-CB 4.06Å; L29-A251 HydrophobicContact CD2-CB 3.73Å; S247-A251 VanDerWaalsContact O-CB 3.31Å; S247-A251 WeakPolarHBondContact O-CB 3.4Å; S247-A251 PolarHBondContact O-N 3.25Å; S247-A251 VanDerWaalsContact O-N 3.15Å; W248-A251 PolarHBondContact O-N 3.17Å; Y249-A251 VanDerWaalsContact C-N 3.34Å; Y249-A251 PolarHBondContact O-N 3.4Å; A251-A254 PolarHBondContact O-N 2.92Å; A251-A255 WeakPolarHBondContact O-CB 3.3Å; A251-A255 PolarHBondContact O-N 3.5Å
252I95.2Very high93.7Very high0 Ų046.4 Ų46.40%029%0.288CS..Hα-helixtrans-65.8-45.1178.4-62.6162.1000110.2L29 L34 L205 V210 F224 V226 W248 Y249 A254 A255 A256L29-I252 HydrophobicContact CD1-CG1 4.05Å; L29-I252 HydrophobicContact CD2-CG1 4.32Å; L34-I252 HydrophobicContact CD2-CD1 4.07Å; L205-I252 HydrophobicContact CD2-CG2 3.96Å; V210-I252 HydrophobicContact CG2-CB 4.23Å; V210-I252 HydrophobicContact CG2-CG2 3.48Å; V210-I252 VanDerWaalsContact CG2-CG2 3.48Å; F224-I252 HydrophobicContact CD2-CD1 4.39Å; F224-I252 HydrophobicContact CE2-CD1 3.76Å; V226-I252 HydrophobicContact CG2-CD1 3.93Å; W248-I252 HydrophobicContact CE3-CD1 4.37Å; W248-I252 WeakPolarHBondContact O-CD1 3.29Å; W248-I252 VanDerWaalsContact O-CG1 3.27Å; W248-I252 WeakPolarHBondContact O-CG1 3.45Å; W248-I252 PolarHBondContact O-N 3.15Å; Y249-I252 PolarHBondContact O-N 3.45Å; I252-A254 VanDerWaalsContact C-N 3.34Å; I252-A254 PolarHBondContact O-N 3.42Å; I252-A255 PolarHBondContact O-N 3.02Å; I252-A256 WeakPolarHBondContact O-CB 3.44Å; I252-A256 PolarHBondContact O-N 3.13Å
253Q92.3Very high93.8Very high49 Ų4943.4 Ų43.423%0.22927%0.269CS..Hα-helixtrans-60.4-42.5175.7-76.7-163.6-38.700112.3V210 Y249 A257V210-Q253 HydrophobicContact CB-CG 4.4Å; V210-Q253 HydrophobicContact CG2-CG 4.34Å; Y249-Q253 HydrophobicContact CD1-CG 4.28Å; Y249-Q253 HydrophobicContact CE1-CG 4.04Å; Y249-Q253 VanDerWaalsContact CZ-NE2 3.33Å; Y249-Q253 WeakPolarHBondContact O-CB 3.42Å; Y249-Q253 WeakPolarHBondContact O-CG 3.23Å; Y249-Q253 PolarHBondContact O-N 3.25Å; Y249-Q253 PolarHBondContact OH-NE2 3.5Å; Q253-A257 WeakPolarHBondContact O-CB 3.36Å; Q253-A257 PolarHBondContact O-N 2.75Å
254A92.9Very high93.8Very high62 Ų6243.4 Ų43.451%0.51226%0.256SS..Hα-helixtrans-65.4-43.6178.400000112N250 A251 I252 A257 S258N250-A254 VanDerWaalsContact O-CB 3.25Å; N250-A254 WeakPolarHBondContact O-CB 3.45Å; N250-A254 PolarHBondContact O-N 3.45Å; A251-A254 PolarHBondContact O-N 2.92Å; I252-A254 VanDerWaalsContact C-N 3.34Å; I252-A254 PolarHBondContact O-N 3.42Å; A254-A257 PolarHBondContact O-N 2.73Å; A254-S258 PolarHBondContact O-N 3.23Å
255A94.7Very high93.7Very high4 Ų446 Ų463%0.03327%0.267CS..Hα-helixtrans-63.6-46.5176.200000111.4L205 A251 I252 A257 S258L205-A255 HydrophobicContact CD1-CB 3.61Å; A251-A255 WeakPolarHBondContact O-CB 3.3Å; A251-A255 PolarHBondContact O-N 3.5Å; I252-A255 PolarHBondContact O-N 3.02Å; A255-A257 VanDerWaalsContact C-N 3.35Å; A255-A257 PolarHBondContact O-N 2.82Å; A255-S258 WeakPolarHBondContact O-CB 3.36Å; A255-S258 PolarHBondContact O-N 2.78Å; A255-S258 PolarHBondContact O-OG 3.08Å
256A93.6Very high93.7Very high13 Ų1348.8 Ų48.811%0.10728%0.28CS..Hα-helixtrans-61.1-41.2174.700000112.5L205 I252 S258 L259L205-A256 WeakPolarHBondContact O-CB 3.41Å; I252-A256 WeakPolarHBondContact O-CB 3.44Å; I252-A256 PolarHBondContact O-N 3.13Å; A256-S258 VanDerWaalsContact C-N 3.29Å; A256-S258 PolarHBondContact O-N 2.91Å; A256-L259 PolarHBondContact O-N 3.35Å
257A92.1Very high93.7Very high50 Ų5045.3 Ų45.341%0.41326%0.264SS..Hα-helixtrans-64.4-32.4176.700000112.7Q253 A254 A255 L259 L260Q253-A257 WeakPolarHBondContact O-CB 3.36Å; Q253-A257 PolarHBondContact O-N 2.75Å; A254-A257 PolarHBondContact O-N 2.73Å; A255-A257 VanDerWaalsContact C-N 3.35Å; A255-A257 PolarHBondContact O-N 2.82Å; A257-L259 PolarHBondContact O-N 3.06Å; A257-L260 HydrophobicContact CB-CD1 4.2Å; A257-L260 WeakPolarHBondContact O-CB 3.42Å; A257-L260 WeakPolarHBondContact O-CG 3.39Å; A257-L260 PolarHBondContact O-N 3.24Å
258S94.4Very high93.5Very high71 Ų7147.3 Ų47.350%0.49726%0.264SS..Hα-helixtrans-63.5-24.817781.20000113.2A254 A255 A256 P261A254-S258 PolarHBondContact O-N 3.23Å; A255-S258 WeakPolarHBondContact O-CB 3.36Å; A255-S258 PolarHBondContact O-N 2.78Å; A255-S258 PolarHBondContact O-OG 3.08Å; A256-S258 VanDerWaalsContact C-N 3.29Å; A256-S258 PolarHBondContact O-N 2.91Å; S258-P261 WeakPolarHBondContact O-CD 3.41Å
259L95.1Very high93.4Very high24 Ų2451.6 Ų51.613%0.12630%0.295CS..THydrogen-bonded Turntrans-86-11.6178.7-59.3172000113.2L205 K206 A256 A257 P261 Q262 V263L205-L259 HydrophobicContact CB-CD1 3.94Å; K206-L259 HydrophobicContact CB-CD1 4.25Å; A256-L259 PolarHBondContact O-N 3.35Å; A257-L259 PolarHBondContact O-N 3.06Å; L259-P261 VanDerWaalsContact C-CD 3.46Å; L259-Q262 WeakPolarHBondContact O-CB 3.4Å; L259-Q262 PolarHBondContact O-N 2.74Å; L259-V263 WeakPolarHBondContact O-CG2 3.38Å; L259-V263 PolarHBondContact O-N 2.93Å; L259-V263 VanDerWaalsContact O-N 3.07Å
260L93.4Very high93.3Very high50 Ų5052.9 Ų52.926%0.26230%0.302SS..Hα-helixtrans-55.8-41.7-177.2-70.6170.8000114.3M207 A257 Q262 V263 K264 L279M207-L260 HydrophobicContact CE-CD2 3.56Å; M207-L260 HydrophobicContact SD-CD2 3.52Å; M207-L260 VanDerWaalsContact SD-CD2 3.52Å; A257-L260 HydrophobicContact CB-CD1 4.2Å; A257-L260 WeakPolarHBondContact O-CB 3.42Å; A257-L260 WeakPolarHBondContact O-CG 3.39Å; A257-L260 PolarHBondContact O-N 3.24Å; L260-Q262 VanDerWaalsContact C-N 3.32Å; L260-Q262 PolarHBondContact O-N 3.27Å; L260-V263 PolarHBondContact O-N 3.33Å; L260-K264 WeakPolarHBondContact O-CG 3.22Å; L260-K264 PolarHBondContact O-N 2.83Å; L260-L279 HydrophobicContact CD2-CB 4.34Å; L260-L279 HydrophobicContact CD2-CD1 4.1Å
261P93.9Very high93.2Very high87 Ų8752 Ų5257%0.56530%0.295SS*.Hα-helixtrans-61.1-41.1178.2-23.435.3000112.5S258 L259 K264 E265S258-P261 WeakPolarHBondContact O-CD 3.41Å; L259-P261 VanDerWaalsContact C-CD 3.46Å; P261-K264 PolarHBondContact O-N 2.8Å; P261-E265 PolarHBondContact O-N 3.48Å; P261-E265 VanDerWaalsContact O-N 3.17Å
262Q94.1Very high92.8Very high110 Ų11055.7 Ų55.751%0.51432%0.317SS..Hα-helixtrans-63.6-44.4176-176.8-175.9-12.700111L259 L260 K264 E265 E266L259-Q262 WeakPolarHBondContact O-CB 3.4Å; L259-Q262 PolarHBondContact O-N 2.74Å; L260-Q262 VanDerWaalsContact C-N 3.32Å; L260-Q262 PolarHBondContact O-N 3.27Å; Q262-K264 VanDerWaalsContact C-N 3.31Å; Q262-K264 PolarHBondContact O-N 3.35Å; Q262-E265 PolarHBondContact O-N 3.42Å; Q262-E266 PolarHBondContact NE2-OE1 2.94Å; Q262-E266 WeakPolarHBondContact O-CG 3.42Å; Q262-E266 PolarHBondContact O-N 2.69Å
263V94.2Very high92.3Very high2 Ų259.9 Ų59.91%0.01236%0.36CS..Hα-helixtrans-59-42.6177.2176.10000111.4K206 M207 L259 L260 E265 E266 M267 L279 F309K206-V263 HydrophobicContact CD-CG2 4.35Å; K206-V263 HydrophobicContact CG-CG2 3.76Å; M207-V263 HydrophobicContact CG-CG1 4Å; M207-V263 HydrophobicContact CG-CG2 4.04Å; M207-V263 HydrophobicContact SD-CB 4.24Å; M207-V263 HydrophobicContact SD-CG1 3.98Å; M207-V263 HydrophobicContact SD-CG2 3.85Å; L259-V263 WeakPolarHBondContact O-CG2 3.38Å; L259-V263 PolarHBondContact O-N 2.93Å; L259-V263 VanDerWaalsContact O-N 3.07Å; L260-V263 PolarHBondContact O-N 3.33Å; V263-E265 PolarHBondContact O-N 2.77Å; V263-E266 PolarHBondContact O-N 2.95Å; V263-M267 HydrophobicContact CG1-CG 4.4Å; V263-M267 HydrophobicContact CG1-SD 4.1Å; V263-M267 VanDerWaalsContact O-CG 3.28Å; V263-M267 WeakPolarHBondContact O-CG 3.31Å; V263-M267 PolarHBondContact O-N 3.49Å; V263-L279 HydrophobicContact CB-CD1 4.32Å; V263-L279 HydrophobicContact CG1-CD1 3.9Å; V263-F309 HydrophobicContact CG1-CE2 3.75Å; V263-F309 HydrophobicContact CG1-CZ 3.81Å
264K93.3Very high92.1Very high70 Ų7058.3 Ų58.330%0.30435%0.353SS..Hα-helixtrans-60.2-44.3176.9-73.2-177.3172.6-163.70112.1L260 P261 Q262 M267 K268 V276 K277 L279L260-K264 WeakPolarHBondContact O-CG 3.22Å; L260-K264 PolarHBondContact O-N 2.83Å; P261-K264 PolarHBondContact O-N 2.8Å; Q262-K264 VanDerWaalsContact C-N 3.31Å; Q262-K264 PolarHBondContact O-N 3.35Å; K264-M267 PolarHBondContact O-N 2.93Å; K264-K268 WeakPolarHBondContact O-CB 3.48Å; K264-K268 PolarHBondContact O-N 2.83Å; K264-V276 HydrophobicContact CG-CG1 4.29Å; K264-K277 PolarHBondContact NZ-O 3.5Å; K264-L279 HydrophobicContact CG-CD1 3.57Å; K264-L279 HydrophobicContact CG-CG 4.25Å
265E92.7Very high92Very high113 Ų11358.3 Ų58.353%0.52834%0.344SS..Hα-helixtrans-68.2-39.4-179.7-167.958.1-153.200112P261 Q262 V263 M267 K268 S269P261-E265 PolarHBondContact O-N 3.48Å; P261-E265 VanDerWaalsContact O-N 3.17Å; Q262-E265 PolarHBondContact O-N 3.42Å; V263-E265 PolarHBondContact O-N 2.77Å; E265-M267 PolarHBondContact O-N 3.28Å; E265-K268 WeakPolarHBondContact O-CB 3.4Å; E265-K268 PolarHBondContact O-N 3.49Å; E265-S269 WeakPolarHBondContact O-CB 3.39Å; E265-S269 PolarHBondContact O-N 2.77Å
266E92.4Very high92Very high62 Ų6258.7 Ų58.729%0.2935%0.346SS..Hα-helixtrans-62.3-43173.8-71.1175.8-168.100112K206 Q262 V263 K268 S269 M270K206-E266 VanDerWaalsContact CE-OE2 3.31Å; K206-E266 WeakPolarHBondContact CE-OE2 3.41Å; K206-E266 IonicContact NZ-OE1 3.48Å; K206-E266 IonicContact NZ-OE2 3.7Å; K206-E266 PolarHBondContact NZ-OE2 2.92Å; Q262-E266 PolarHBondContact NE2-OE1 2.94Å; Q262-E266 WeakPolarHBondContact O-CG 3.42Å; Q262-E266 PolarHBondContact O-N 2.69Å; V263-E266 PolarHBondContact O-N 2.95Å; E266-K268 VanDerWaalsContact C-N 3.33Å; E266-K268 PolarHBondContact O-N 2.86Å; E266-S269 WeakPolarHBondContact O-CB 3.23Å; E266-S269 PolarHBondContact O-N 2.8Å; E266-M270 WeakPolarHBondContact O-CG 3.36Å; E266-M270 PolarHBondContact O-N 3.49Å
267M92.3Very high92Very high0 Ų062 Ų620%036%0.358CS..Hα-helixtrans-63.6-39.4176.2-70.9-17787.700112.1V263 K264 E265 S269 M270 Q271 M274 L279 V297 F309 P310 L316V263-M267 HydrophobicContact CG1-CG 4.4Å; V263-M267 HydrophobicContact CG1-SD 4.1Å; V263-M267 VanDerWaalsContact O-CG 3.28Å; V263-M267 WeakPolarHBondContact O-CG 3.31Å; V263-M267 PolarHBondContact O-N 3.49Å; K264-M267 PolarHBondContact O-N 2.93Å; E265-M267 PolarHBondContact O-N 3.28Å; M267-S269 VanDerWaalsContact C-N 3.33Å; M267-M270 HydrophobicContact CB-CE 4.44Å; M267-M270 HydrophobicContact CG-CE 3.98Å; M267-M270 PolarHBondContact O-N 3.07Å; M267-Q271 PolarHBondContact O-N 3.34Å; M267-M274 HydrophobicContact CB-CE 3.91Å; M267-M274 HydrophobicContact CE-CE 4.27Å; M267-L279 HydrophobicContact CE-CD2 4.46Å; M267-L279 HydrophobicContact SD-CD2 3.69Å; M267-V297 HydrophobicContact CE-CG1 4.33Å; M267-V297 HydrophobicContact CE-CG2 3.9Å; M267-F309 HydrophobicContact SD-CE2 4.39Å; M267-P310 HydrophobicContact CE-CG 4.11Å; M267-L316 HydrophobicContact CE-CD1 3.37Å
268K91.5Very high92.2Very high104 Ų10461.2 Ų61.245%0.45235%0.346SS..Hα-helixtrans-64.2-38.2174-173.3-178.8178.2-174.20112.1K264 E265 E266 Q271K264-K268 WeakPolarHBondContact O-CB 3.48Å; K264-K268 PolarHBondContact O-N 2.83Å; E265-K268 WeakPolarHBondContact O-CB 3.4Å; E265-K268 PolarHBondContact O-N 3.49Å; E266-K268 VanDerWaalsContact C-N 3.33Å; E266-K268 PolarHBondContact O-N 2.86Å; K268-Q271 CarbonylContact O-C 3.52Å; K268-Q271 PolarHBondContact O-N 2.92Å
269S92.4Very high92.2Very high94 Ų9458.1 Ų58.166%0.65732%0.324SS*.Hα-helixtrans-66.3-40.9174.3-172.80000112.1E265 E266 M267 Q271E265-S269 WeakPolarHBondContact O-CB 3.39Å; E265-S269 PolarHBondContact O-N 2.77Å; E266-S269 WeakPolarHBondContact O-CB 3.23Å; E266-S269 PolarHBondContact O-N 2.8Å; M267-S269 VanDerWaalsContact C-N 3.33Å; S269-Q271 PolarHBondContact O-N 3.48Å
270M91.5Very high92.2Very high40 Ų4057.6 Ų57.620%0.19732%0.324CS..Hα-helixtrans-64.6-38175.9-73.1-170.3-74.900112.8E266 M267 K313 L316E266-M270 WeakPolarHBondContact O-CG 3.36Å; E266-M270 PolarHBondContact O-N 3.49Å; M267-M270 HydrophobicContact CB-CE 4.44Å; M267-M270 HydrophobicContact CG-CE 3.98Å; M267-M270 PolarHBondContact O-N 3.07Å; M270-K313 HydrophobicContact CB-CB 4.45Å; M270-K313 VanDerWaalsContact O-CD 3.24Å; M270-K313 WeakPolarHBondContact O-CD 3.19Å; M270-K313 WeakPolarHBondContact O-CE 3.48Å; M270-K313 WeakPolarHBondContact O-CG 3.15Å; M270-L316 HydrophobicContact CB-CD2 3.98Å; M270-L316 HydrophobicContact CE-CD2 4.42Å
271Q90.5Very high92.2Very high59 Ų5956.5 Ų56.528%0.27632%0.317SS..SBendtrans-134.287.5179.5-171.8169.7-4.300111.8M267 K268 S269 G273 M274 L316M267-Q271 PolarHBondContact O-N 3.34Å; K268-Q271 CarbonylContact O-C 3.52Å; K268-Q271 PolarHBondContact O-N 2.92Å; S269-Q271 PolarHBondContact O-N 3.48Å; Q271-G273 PolarHBondContact O-N 3.17Å; Q271-M274 HydrophobicContact CB-CB 4.23Å; Q271-M274 HydrophobicContact CB-CE 4.42Å; Q271-M274 HydrophobicContact CG-CB 4.06Å; Q271-M274 WeakPolarHBondContact O-CB 3.26Å; Q271-M274 PolarHBondContact O-N 3.19Å; Q271-M274 VanDerWaalsContact O-N 3.08Å; Q271-L316 HydrophobicContact CB-CD2 3.89Å
272P86.2Confident92.2Very high106 Ų10652.4 Ų52.469%0.68829%0.29SS*.THydrogen-bonded Turntrans-56.5128.3174.1-24.534.2000110.6
273G84.6Confident92.1Very high87 Ų8747.6 Ų47.690%0.89727%0.268SS*.THydrogen-bonded Turntrans97.7-7.2-17700000115.1Q271Q271-G273 PolarHBondContact O-N 3.17Å
274M88.3Confident92Very high16 Ų1647.7 Ų47.78%0.07927%0.268CS..  trans-87.1106.6167.2-172.6-179.163.700109.4M267 Q271 V276 T299 L304 L316M267-M274 HydrophobicContact CB-CE 3.91Å; M267-M274 HydrophobicContact CE-CE 4.27Å; Q271-M274 HydrophobicContact CB-CB 4.23Å; Q271-M274 HydrophobicContact CB-CE 4.42Å; Q271-M274 HydrophobicContact CG-CB 4.06Å; Q271-M274 WeakPolarHBondContact O-CB 3.26Å; Q271-M274 PolarHBondContact O-N 3.19Å; Q271-M274 VanDerWaalsContact O-N 3.08Å; M274-V276 HydrophobicContact CE-CG2 3.71Å; M274-V276 HydrophobicContact CG-CG2 4.12Å; M274-V276 HydrophobicContact SD-CG2 4.32Å; M274-T299 HydrophobicContact CG-CG2 3.84Å; M274-T299 HydrophobicContact SD-CG2 4.31Å; M274-L304 HydrophobicContact SD-CD1 4.4Å; M274-L316 HydrophobicContact CE-CD1 3.97Å; M274-L316 HydrophobicContact CE-CD2 3.7Å; M274-L316 HydrophobicContact CE-CG 4.21Å; M274-L316 HydrophobicContact SD-CD1 4.24Å
275D90.4Very high91.6Very high62 Ų6246.9 Ų46.933%0.33227%0.265SS..  trans-92.9114.4173.3-172.837000111.1K277 T299 E300D275-K277 VanDerWaalsContact OD2-CE 3.28Å; D275-K277 WeakPolarHBondContact OD2-CE 3.46Å; D275-K277 IonicContact OD2-NZ 2.82Å; D275-K277 PolarHBondContact OD2-NZ 2.98Å; D275-T299 WeakPolarHBondContact O-CA 3.43Å; D275-T299 WeakPolarHBondContact O-CB 3.39Å; D275-E300 HydrophobicContact CB-CG 4.07Å; D275-E300 PolarHBondContact O-N 3.02Å; D275-E300 VanDerWaalsContact OD2-OE1 3.13Å
276V94.3Very high90.7Very high12 Ų1245.4 Ų45.47%0.07326%0.259CS..EExtended strand (participates in β ladder)trans-97.2108.5-171.9178.90000110.5K264 M274 L279 V297K264-V276 HydrophobicContact CG-CG1 4.29Å; M274-V276 HydrophobicContact CE-CG2 3.71Å; M274-V276 HydrophobicContact CG-CG2 4.12Å; M274-V276 HydrophobicContact SD-CG2 4.32Å; V276-L279 HydrophobicContact CG1-CD2 3.42Å; V276-L279 VanDerWaalsContact CG1-CD2 3.42Å; V276-L279 HydrophobicContact CG1-CG 3.8Å; V276-V297 HydrophobicContact CG1-CG1 4.06Å; V276-V297 HydrophobicContact CG2-CG1 4.21Å
277K94.4Very high89.4Confident82 Ų8248.6 Ų48.636%0.35729%0.288SS..EExtended strand (participates in β ladder)trans-78.4-45.2177.1-58.9-56.3-173-164.40111.7K264 D275 L298 E300K264-K277 PolarHBondContact NZ-O 3.5Å; D275-K277 VanDerWaalsContact OD2-CE 3.28Å; D275-K277 WeakPolarHBondContact OD2-CE 3.46Å; D275-K277 IonicContact OD2-NZ 2.82Å; D275-K277 PolarHBondContact OD2-NZ 2.98Å; K277-L298 HydrophobicContact CB-CG 4.46Å; K277-L298 PolarHBondContact N-O 3.43Å; K277-E300 HydrophobicContact CD-CG 4.46Å; K277-E300 WeakPolarHBondContact CE-OE1 3.45Å; K277-E300 IonicContact NZ-OE1 3.46Å; K277-E300 PolarHBondContact NZ-OE1 3.42Å
278H95.6Very high87.5Confident35 Ų3557.6 Ų57.616%0.16233%0.33CS..EExtended strand (participates in β ladder)trans-147.4155.5-177.5-159.460.8000113.5L298 W374 L377H278-L298 HydrophobicContact CB-CB 4.02Å; H278-L298 HydrophobicContact CB-CD2 4.26Å; H278-L298 PolarHBondContact N-O 3.42Å; H278-L298 VanDerWaalsContact N-O 3.17Å; H278-L298 PolarHBondContact O-N 3.48Å; H278-W374 AromaticContact CD2-CD2 3.69Å; H278-W374 AromaticContact CD2-CE2 3.47Å; H278-W374 VanDerWaalsContact CD2-CE2 3.47Å; H278-W374 AromaticContact CD2-CE3 3.9Å; H278-W374 AromaticContact CD2-CH2 3.72Å; H278-W374 AromaticContact CD2-CZ2 3.51Å; H278-W374 AromaticContact CD2-CZ3 3.92Å; H278-W374 AromaticContact NE2-CE2 3.75Å; H278-W374 AromaticContact NE2-NE1 3.82Å; H278-L377 HydrophobicContact CB-CD1 3.7Å
279L95.3Very high86Confident6 Ų654.9 Ų54.93%0.03133%0.332CS..EExtended strand (participates in β ladder)trans-140.9142.3-176.2-57.5168.8000108.4M207 L260 V263 K264 M267 V276 F295 A296 V297M207-L279 HydrophobicContact CE-CB 4.19Å; L260-L279 HydrophobicContact CD2-CB 4.34Å; L260-L279 HydrophobicContact CD2-CD1 4.1Å; V263-L279 HydrophobicContact CB-CD1 4.32Å; V263-L279 HydrophobicContact CG1-CD1 3.9Å; K264-L279 HydrophobicContact CG-CD1 3.57Å; K264-L279 HydrophobicContact CG-CG 4.25Å; M267-L279 HydrophobicContact CE-CD2 4.46Å; M267-L279 HydrophobicContact SD-CD2 3.69Å; V276-L279 HydrophobicContact CG1-CD2 3.42Å; V276-L279 VanDerWaalsContact CG1-CD2 3.42Å; V276-L279 HydrophobicContact CG1-CG 3.8Å; L279-F295 HydrophobicContact CB-CZ 4.28Å; L279-F295 HydrophobicContact CD2-CZ 4.26Å; L279-A296 WeakPolarHBondContact CA-O 3.46Å; L279-V297 HydrophobicContact CD2-CB 4.48Å; L279-V297 HydrophobicContact CD2-CG1 4.1Å; L279-V297 HydrophobicContact CD2-CG2 4.06Å
280G94.9Very high85Confident13 Ų1356 Ų5613%0.13434%0.337CS..EExtended strand (participates in β ladder)trans172.1172169.500000114A296G280-A296 PolarHBondContact N-O 2.86Å; G280-A296 VanDerWaalsContact N-O 3.07Å; G280-A296 PolarHBondContact O-N 3.17Å
281W94Very high84.5Confident27 Ų2757.4 Ų57.410%0.10234%0.344CS..EExtended strand (participates in β ladder)trans-85.1132.7173.4-66.4102.6000110M207 Q209 S229 R231 L294 F295 F309M207-W281 WeakPolarHBondContact O-CZ2 3.48Å; M207-W281 PolarHBondContact O-NE1 3.08Å; Q209-W281 HydrophobicContact CB-CD2 4.19Å; Q209-W281 HydrophobicContact CB-CG 4.03Å; Q209-W281 HydrophobicContact CG-CB 4.31Å; Q209-W281 HydrophobicContact CG-CG 4.1Å; S229-W281 WeakPolarHBondContact O-CH2 3.1Å; S229-W281 WeakPolarHBondContact O-CZ2 3.13Å; R231-W281 HydrophobicContact CG-CH2 4.09Å; R231-W281 HydrophobicContact CG-CZ3 4.47Å; W281-L294 WeakPolarHBondContact CA-O 3.36Å; W281-F295 AromaticContact CD2-CD2 3.99Å; W281-F295 HydrophobicContact CD2-CD2 3.99Å; W281-F295 AromaticContact CE2-CD2 3.86Å; W281-F295 HydrophobicContact CE3-CB 4Å; W281-F295 HydrophobicContact CE3-CD2 4.25Å; W281-F295 HydrophobicContact CH2-CB 4.03Å; W281-F295 HydrophobicContact CH2-CD2 4.3Å; W281-F295 HydrophobicContact CZ2-CD2 4.03Å; W281-F295 HydrophobicContact CZ3-CB 3.7Å; W281-F295 HydrophobicContact CZ3-CD2 4.4Å; W281-F309 HydrophobicContact CZ2-CB 4.48Å
282L94.1Very high84.4Confident1 Ų159 Ų591%0.00535%0.349CS..EExtended strand (participates in β ladder)trans-122155.1171.6-65.5-178.4000108.8P293 L294 A296 F348 F363 V365 W374L282-P293 CarbonylContact O-C 3.54Å; L282-P293 WeakPolarHBondContact O-CA 3.48Å; L282-L294 PolarHBondContact N-O 3.46Å; L282-L294 PolarHBondContact O-N 3.09Å; L282-L294 VanDerWaalsContact O-O 3.11Å; L282-A296 HydrophobicContact CD1-CB 3.52Å; L282-A296 HydrophobicContact CG-CB 3.84Å; L282-F348 HydrophobicContact CD1-CZ 3.93Å; L282-F348 HydrophobicContact CD2-CE1 3.95Å; L282-F348 HydrophobicContact CD2-CZ 4.02Å; L282-F363 HydrophobicContact CB-CB 4.45Å; L282-F363 HydrophobicContact CB-CD1 4.01Å; L282-F363 HydrophobicContact CB-CG 4.49Å; L282-F363 HydrophobicContact CD1-CB 4.36Å; L282-F363 HydrophobicContact CD1-CD1 4.1Å; L282-F363 HydrophobicContact CD1-CG 4.08Å; L282-V365 HydrophobicContact CD2-CG1 3.59Å; L282-W374 HydrophobicContact CD1-CZ2 4.43Å; L282-W374 HydrophobicContact CD2-CD2 4.11Å; L282-W374 HydrophobicContact CD2-CG 4.18Å; L282-W374 HydrophobicContact CD2-CZ2 4.27Å; L282-W374 HydrophobicContact CG-CZ2 4.21Å
283I91.4Very high84.6Confident9 Ų955.6 Ų55.65%0.04633%0.327CS..EExtended strand (participates in β ladder)trans-119.5107.7177.8-61.7172.6000108.3Q285 E291 P293 F363 R364I283-Q285 PolarHBondContact O-N 3.43Å; I283-E291 HydrophobicContact CG2-CB 3.64Å; I283-E291 HydrophobicContact CG2-CG 3.98Å; I283-E291 WeakPolarHBondContact CG2-OE2 3.33Å; I283-P293 HydrophobicContact CG1-CB 4.35Å; I283-F363 CarbonylContact O-C 3.45Å; I283-F363 WeakPolarHBondContact O-CA 3.43Å; I283-R364 HydrophobicContact CB-CB 4.24Å; I283-R364 VanDerWaalsContact CD1-CZ 3.47Å; I283-R364 PolarHBondContact N-O 2.78Å; I283-R364 PolarHBondContact O-N 3.34Å
284E91.4Very high85.1Confident3 Ų351.5 Ų51.51%0.01429%0.285CS..EExtended strand (participates in β ladder)trans-74.6123.7179.4-171.9176.2-157.600109.9M286 K292 L294 K321 H361 V362 F363E284-M286 HydrophobicContact CB-SD 4.47Å; E284-M286 HydrophobicContact CG-CE 4.07Å; E284-M286 HydrophobicContact CG-SD 3.78Å; E284-M286 WeakPolarHBondContact OE1-CE 3.22Å; E284-M286 WeakPolarHBondContact OE2-CE 3.01Å; E284-K292 HydrophobicContact CB-CB 4.39Å; E284-K292 PolarHBondContact N-O 3.43Å; E284-K292 PolarHBondContact O-N 2.88Å; E284-L294 HydrophobicContact CB-CD1 3.82Å; E284-L294 WeakPolarHBondContact OE2-CD1 3.34Å; E284-K321 IonicContact OE1-NZ 3.88Å; E284-K321 PolarHBondContact OE1-NZ 2.9Å; E284-K321 IonicContact OE2-NZ 2.99Å; E284-K321 PolarHBondContact OE2-NZ 2.65Å; E284-H361 IonicContact OE1-CE1 2.61Å; E284-H361 IonicContact OE1-CG 3.29Å; E284-H361 IonicContact OE1-ND1 2.82Å; E284-H361 PolarHBondContact OE1-ND1 3.29Å; E284-V362 WeakPolarHBondContact CA-O 3.5Å; E284-F363 HydrophobicContact CB-CD1 4.15Å; E284-F363 HydrophobicContact CB-CE1 4.03Å; E284-F363 HydrophobicContact CG-CE1 4.13Å
285Q85.6Confident85.4Confident54 Ų5450.8 Ų50.825%0.25228%0.281SS..EExtended strand (participates in β ladder)trans-86.9117.1173.1-63.8-172.4-27.500109.3I283 E345 V362I283-Q285 PolarHBondContact O-N 3.43Å; Q285-E345 PolarHBondContact NE2-OE1 2.79Å; Q285-E345 PolarHBondContact NE2-OE2 3.42Å; Q285-V362 HydrophobicContact CB-CB 4.14Å; Q285-V362 HydrophobicContact CB-CG1 4.09Å; Q285-V362 HydrophobicContact CG-CG1 4.21Å; Q285-V362 PolarHBondContact N-O 3.17Å
286M74.4Confident85.7Confident81 Ų8147.8 Ų47.840%0.39927%0.265SS..PPolyproline II helixtrans-89.8142.3173.5-104.268.4-15800110.5E284 Q288E284-M286 HydrophobicContact CB-SD 4.47Å; E284-M286 HydrophobicContact CG-CE 4.07Å; E284-M286 HydrophobicContact CG-SD 3.78Å; E284-M286 WeakPolarHBondContact OE1-CE 3.22Å; E284-M286 WeakPolarHBondContact OE2-CE 3.01Å; M286-Q288 PolarHBondContact O-N 2.81Å
287S65.4Low85.9Confident129 Ų12947.2 Ų47.290%0.90226%0.262SS*.SBendtrans-62.9-30.5176.250.10000113.1
288Q52.4Low86Confident189 Ų18943.4 Ų43.488%0.88325%0.245SC*.SBendtrans-143.891173-64.6-167.1-7.600108.9M286M286-Q288 PolarHBondContact O-N 2.81Å
289G59.1Low86Confident48 Ų4842.2 Ų42.250%0.49524%0.24SC..SBendtrans161.7169.7177.500000113.5
290P71.3Confident85.8Confident117 Ų11745.9 Ų45.976%0.7626%0.257SS*.  trans-64.6149.1173.528.8-33.9000110.9K292P290-K292 PolarHBondContact O-N 2.84Å
291E81.9Confident85.7Confident70 Ų7050.7 Ų50.733%0.32728%0.275SS..  trans-52.2131169.4-80.5179.2-154.900110.5K213 I283 R364K213-E291 IonicContact NZ-OE1 2.7Å; K213-E291 PolarHBondContact NZ-OE1 2.86Å; K213-E291 IonicContact NZ-OE2 2.75Å; I283-E291 HydrophobicContact CG2-CB 3.64Å; I283-E291 HydrophobicContact CG2-CG 3.98Å; I283-E291 WeakPolarHBondContact CG2-OE2 3.33Å; E291-R364 IonicContact OE1-NE 3.1Å; E291-R364 IonicContact OE2-CZ 3.39Å; E291-R364 IonicContact OE2-NE 3.47Å; E291-R364 PolarHBondContact OE2-NE 2.62Å; E291-R364 VanDerWaalsContact OE2-NE 3.14Å; E291-R364 IonicContact OE2-NH2 3.15Å; E291-R364 PolarHBondContact OE2-NH2 2.83Å
292K87.5Confident85.7Confident92 Ų9251.6 Ų51.640%0.428%0.281SS..EExtended strand (participates in β ladder)trans-109.5108.9-177.6-172.4-180-178-178.20110.5E284 P290 L294E284-K292 HydrophobicContact CB-CB 4.39Å; E284-K292 PolarHBondContact N-O 3.43Å; E284-K292 PolarHBondContact O-N 2.88Å; P290-K292 PolarHBondContact O-N 2.84Å; K292-L294 HydrophobicContact CD-CD2 4.13Å; K292-L294 HydrophobicContact CG-CD2 4.2Å; K292-L294 HydrophobicContact CG-CG 4.45Å
293P90.6Very high85.8Confident34 Ų3451.6 Ų51.622%0.22128%0.281CS..EExtended strand (participates in β ladder)trans-72.7135174.730.8-33.4000110.3R231 L282 I283R231-P293 VanDerWaalsContact NH1-CB 3.34Å; L282-P293 CarbonylContact O-C 3.54Å; L282-P293 WeakPolarHBondContact O-CA 3.48Å; I283-P293 HydrophobicContact CG1-CB 4.35Å
294L94.3Very high86.1Confident2 Ų252 Ų521%0.0128%0.284CS..EExtended strand (participates in β ladder)trans-133.1143.4-177.6-64.5174.5000109.8W281 L282 E284 K292 L305 Y306 F363W281-L294 WeakPolarHBondContact CA-O 3.36Å; L282-L294 PolarHBondContact N-O 3.46Å; L282-L294 PolarHBondContact O-N 3.09Å; L282-L294 VanDerWaalsContact O-O 3.11Å; E284-L294 HydrophobicContact CB-CD1 3.82Å; E284-L294 WeakPolarHBondContact OE2-CD1 3.34Å; K292-L294 HydrophobicContact CD-CD2 4.13Å; K292-L294 HydrophobicContact CG-CD2 4.2Å; K292-L294 HydrophobicContact CG-CG 4.45Å; L294-L305 HydrophobicContact CD1-CB 4.4Å; L294-L305 HydrophobicContact CD1-CD1 4.26Å; L294-Y306 CarbonylContact C-O 3.51Å; L294-Y306 VanDerWaalsContact CA-O 3.31Å; L294-Y306 WeakPolarHBondContact CA-O 3.23Å; L294-F363 HydrophobicContact CD1-CE1 4.24Å
295F95.9Very high86.3Confident0 Ų051.9 Ų51.90%028%0.283CS..EExtended strand (participates in β ladder)trans-88.3120.1168.2-172.4-104.1000109.1M207 L279 W281 V297 L305 Y306 F309M207-F295 HydrophobicContact CB-CE2 4.39Å; M207-F295 HydrophobicContact CE-CE2 3.35Å; M207-F295 HydrophobicContact CE-CZ 3.68Å; M207-F295 HydrophobicContact CG-CE2 4.39Å; M207-F295 HydrophobicContact CG-CZ 4.45Å; L279-F295 HydrophobicContact CB-CZ 4.28Å; L279-F295 HydrophobicContact CD2-CZ 4.26Å; W281-F295 AromaticContact CD2-CD2 3.99Å; W281-F295 HydrophobicContact CD2-CD2 3.99Å; W281-F295 AromaticContact CE2-CD2 3.86Å; W281-F295 HydrophobicContact CE3-CB 4Å; W281-F295 HydrophobicContact CE3-CD2 4.25Å; W281-F295 HydrophobicContact CH2-CB 4.03Å; W281-F295 HydrophobicContact CH2-CD2 4.3Å; W281-F295 HydrophobicContact CZ2-CD2 4.03Å; W281-F295 HydrophobicContact CZ3-CB 3.7Å; W281-F295 HydrophobicContact CZ3-CD2 4.4Å; F295-V297 HydrophobicContact CD1-CG2 3.88Å; F295-V297 HydrophobicContact CE1-CG2 3.47Å; F295-V297 VanDerWaalsContact CE1-CG2 3.47Å; F295-V297 HydrophobicContact CZ-CG2 4.43Å; F295-L305 CarbonylContact O-C 3.43Å; F295-L305 WeakPolarHBondContact O-CA 3.43Å; F295-Y306 HydrophobicContact CD1-CD2 4.2Å; F295-Y306 PolarHBondContact N-O 3.31Å; F295-Y306 PolarHBondContact O-N 2.89Å; F295-F309 HydrophobicContact CD1-CD2 4.1Å; F295-F309 HydrophobicContact CD2-CD2 4.43Å; F295-F309 AromaticContact CE1-CD2 3.59Å; F295-F309 HydrophobicContact CE1-CD2 3.59Å; F295-F309 HydrophobicContact CE1-CE2 4.06Å; F295-F309 AromaticContact CE2-CD2 3.99Å; F295-F309 HydrophobicContact CE2-CD2 3.99Å; F295-F309 HydrophobicContact CG-CD2 4.49Å; F295-F309 AromaticContact CZ-CD2 3.54Å; F295-F309 HydrophobicContact CZ-CD2 3.54Å; F295-F309 AromaticContact CZ-CE2 3.95Å; F295-F309 HydrophobicContact CZ-CE2 3.95Å
296A96.9Very high86.8Confident0 Ų049.7 Ų49.70%027%0.273CS..EExtended strand (participates in β ladder)trans-107.5136.2-177.400000111.4L279 G280 L282 L303 L304 L305 W374L279-A296 WeakPolarHBondContact CA-O 3.46Å; G280-A296 PolarHBondContact N-O 2.86Å; G280-A296 VanDerWaalsContact N-O 3.07Å; G280-A296 PolarHBondContact O-N 3.17Å; L282-A296 HydrophobicContact CD1-CB 3.52Å; L282-A296 HydrophobicContact CG-CB 3.84Å; A296-L303 HydrophobicContact CB-CD1 4.4Å; A296-L304 CarbonylContact C-O 3.57Å; A296-L304 WeakPolarHBondContact CA-O 3.31Å; A296-L305 HydrophobicContact CB-CD2 3.64Å; A296-W374 HydrophobicContact CB-CH2 3.46Å; A296-W374 VanDerWaalsContact CB-CH2 3.46Å; A296-W374 HydrophobicContact CB-CZ2 3.93Å; A296-W374 HydrophobicContact CB-CZ3 4.19Å
297V96.9Very high87.6Confident0 Ų048.9 Ų48.90%028%0.275CS..EExtended strand (participates in β ladder)trans-125.4115.6177.2-179.50000107.8M267 V276 L279 F295 T299 L304 Y306M267-V297 HydrophobicContact CE-CG1 4.33Å; M267-V297 HydrophobicContact CE-CG2 3.9Å; V276-V297 HydrophobicContact CG1-CG1 4.06Å; V276-V297 HydrophobicContact CG2-CG1 4.21Å; L279-V297 HydrophobicContact CD2-CB 4.48Å; L279-V297 HydrophobicContact CD2-CG1 4.1Å; L279-V297 HydrophobicContact CD2-CG2 4.06Å; F295-V297 HydrophobicContact CD1-CG2 3.88Å; F295-V297 HydrophobicContact CE1-CG2 3.47Å; F295-V297 VanDerWaalsContact CE1-CG2 3.47Å; F295-V297 HydrophobicContact CZ-CG2 4.43Å; V297-T299 HydrophobicContact CG1-CG2 4.18Å; V297-L304 HydrophobicContact CB-CB 4.27Å; V297-L304 PolarHBondContact N-O 2.85Å; V297-L304 PolarHBondContact O-N 3.26Å; V297-Y306 HydrophobicContact CB-CE2 4.26Å; V297-Y306 HydrophobicContact CG2-CD2 4.19Å; V297-Y306 HydrophobicContact CG2-CE2 3.75Å
298L97Very high88.9Confident1 Ų144.7 Ų44.71%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-96.4120.3174.7-177.964.3000109.4K277 H278 L303 L325 W374 L377 L378K277-L298 HydrophobicContact CB-CG 4.46Å; K277-L298 PolarHBondContact N-O 3.43Å; H278-L298 HydrophobicContact CB-CB 4.02Å; H278-L298 HydrophobicContact CB-CD2 4.26Å; H278-L298 PolarHBondContact N-O 3.42Å; H278-L298 VanDerWaalsContact N-O 3.17Å; H278-L298 PolarHBondContact O-N 3.48Å; L298-L303 HydrophobicContact CD1-CD1 4.45Å; L298-L325 HydrophobicContact CD1-CD1 3.87Å; L298-L325 HydrophobicContact CD1-CD2 3.7Å; L298-L325 HydrophobicContact CD1-CG 4.35Å; L298-W374 HydrophobicContact CB-CZ3 4.1Å; L298-L377 HydrophobicContact CD2-CB 3.69Å; L298-L378 HydrophobicContact CD1-CD2 3.91Å
299T95.1Very high90.8Very high10 Ų1036 Ų366%0.06121%0.205CC..EExtended strand (participates in β ladder)trans-107.3-175.217670.80000110.8M274 D275 V297 K301 D302 L304 L325M274-T299 HydrophobicContact CG-CG2 3.84Å; M274-T299 HydrophobicContact SD-CG2 4.31Å; D275-T299 WeakPolarHBondContact O-CA 3.43Å; D275-T299 WeakPolarHBondContact O-CB 3.39Å; V297-T299 HydrophobicContact CG1-CG2 4.18Å; T299-K301 PolarHBondContact O-N 3.29Å; T299-K301 PolarHBondContact OG1-N 2.9Å; T299-D302 PolarHBondContact N-O 2.68Å; T299-D302 PolarHBondContact OG1-N 2.83Å; T299-D302 PolarHBondContact OG1-O 2.85Å; T299-L304 HydrophobicContact CG2-CD1 4.27Å; T299-L325 WeakPolarHBondContact O-CD1 3.24Å
300E91.8Very high92.4Very high83 Ų8333.9 Ų33.939%0.38818%0.183SC..SBendtrans-64.6-25.6172-74.6-170.9154.200114.5D275 K277D275-E300 HydrophobicContact CB-CG 4.07Å; D275-E300 PolarHBondContact O-N 3.02Å; D275-E300 VanDerWaalsContact OD2-OE1 3.13Å; K277-E300 HydrophobicContact CD-CG 4.46Å; K277-E300 WeakPolarHBondContact CE-OE1 3.45Å; K277-E300 IonicContact NZ-OE1 3.46Å; K277-E300 PolarHBondContact NZ-OE1 3.42Å
301K91.7Very high93.3Very high115 Ų11533.8 Ų33.850%0.517%0.172SC..SBendtrans-120.5-30-171.2-65.2-179.1-177.5174.10113.5T299 L325 L388T299-K301 PolarHBondContact O-N 3.29Å; T299-K301 PolarHBondContact OG1-N 2.9Å; K301-L325 WeakPolarHBondContact O-CB 3.26Å; K301-L325 WeakPolarHBondContact O-CG 3.45Å; K301-L325 PolarHBondContact O-N 2.73Å; K301-L388 HydrophobicContact CD-CD2 4.39Å; K301-L388 VanDerWaalsContact CE-CD2 3.42Å; K301-L388 HydrophobicContact CG-CD2 4.06Å
302D95.2Very high93.7Very high45 Ų4533 Ų3324%0.24117%0.174CC..EExtended strand (participates in β ladder)trans-137.2147.3-167.2-56.1-61.8000112.4T299 L304 H323 T324T299-D302 PolarHBondContact N-O 2.68Å; T299-D302 PolarHBondContact OG1-N 2.83Å; T299-D302 PolarHBondContact OG1-O 2.85Å; D302-L304 HydrophobicContact CB-CD2 3.75Å; D302-L304 HydrophobicContact CB-CG 4.33Å; D302-H323 CarbonylContact C-O 3.49Å; D302-H323 WeakPolarHBondContact CA-O 3.46Å; D302-T324 WeakPolarHBondContact OD1-CA 3.4Å; D302-T324 WeakPolarHBondContact OD1-CG2 3.2Å
303L96.9Very high93.9Very high1 Ų133.2 Ų33.21%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-98.8113.5161.1175.366.5000108.3A296 L298 L305 H323 L325 L350 W374 L378A296-L303 HydrophobicContact CB-CD1 4.4Å; L298-L303 HydrophobicContact CD1-CD1 4.45Å; L303-L305 HydrophobicContact CD1-CD2 4.3Å; L303-L305 HydrophobicContact CD2-CD2 4.48Å; L303-L305 HydrophobicContact CG-CD2 4.19Å; L303-H323 HydrophobicContact CB-CB 4.5Å; L303-H323 PolarHBondContact N-O 3.42Å; L303-H323 PolarHBondContact O-N 3.26Å; L303-L325 HydrophobicContact CB-CD2 4.23Å; L303-L350 HydrophobicContact CD2-CD1 3.49Å; L303-L350 VanDerWaalsContact CD2-CD1 3.49Å; L303-W374 HydrophobicContact CD1-CZ3 4.19Å; L303-L378 HydrophobicContact CD1-CD2 4.4Å; L303-L378 HydrophobicContact CD2-CD2 4.12Å
304L96.4Very high94Very high18 Ų1838.9 Ų38.99%0.09420%0.198CC..EExtended strand (participates in β ladder)trans-104.8131.7-178.9-48.3177.1000109.6M274 A296 V297 T299 D302 Y306 P319 S322M274-L304 HydrophobicContact SD-CD1 4.4Å; A296-L304 CarbonylContact C-O 3.57Å; A296-L304 WeakPolarHBondContact CA-O 3.31Å; V297-L304 HydrophobicContact CB-CB 4.27Å; V297-L304 PolarHBondContact N-O 2.85Å; V297-L304 PolarHBondContact O-N 3.26Å; T299-L304 HydrophobicContact CG2-CD1 4.27Å; D302-L304 HydrophobicContact CB-CD2 3.75Å; D302-L304 HydrophobicContact CB-CG 4.33Å; L304-Y306 HydrophobicContact CB-CE2 3.69Å; L304-Y306 WeakPolarHBondContact CD1-OH 3.48Å; L304-P319 HydrophobicContact CB-CB 4.19Å; L304-P319 HydrophobicContact CD2-CG 4.3Å; L304-S322 VanDerWaalsContact CD2-OG 3.23Å; L304-S322 WeakPolarHBondContact CD2-OG 3.33Å
305L96.3Very high93.8Very high0 Ų040.8 Ų40.80%021%0.212CC..EExtended strand (participates in β ladder)trans-119.6131-179.2-54.5176.2000110.4L294 F295 A296 L303 S320 K321 F363L294-L305 HydrophobicContact CD1-CB 4.4Å; L294-L305 HydrophobicContact CD1-CD1 4.26Å; F295-L305 CarbonylContact O-C 3.43Å; F295-L305 WeakPolarHBondContact O-CA 3.43Å; A296-L305 HydrophobicContact CB-CD2 3.64Å; L303-L305 HydrophobicContact CD1-CD2 4.3Å; L303-L305 HydrophobicContact CD2-CD2 4.48Å; L303-L305 HydrophobicContact CG-CD2 4.19Å; L305-S320 WeakPolarHBondContact O-CA 3.39Å; L305-S320 WeakPolarHBondContact O-CB 3.43Å; L305-S320 PolarHBondContact O-N 3.33Å; L305-K321 HydrophobicContact CB-CB 4.17Å; L305-K321 HydrophobicContact CD1-CB 4.16Å; L305-K321 HydrophobicContact CD1-CD 4.18Å; L305-K321 HydrophobicContact CG-CB 4.5Å; L305-K321 PolarHBondContact N-O 3.35Å; L305-K321 PolarHBondContact O-N 3.04Å; L305-K321 VanDerWaalsContact O-N 3.13Å; L305-F363 HydrophobicContact CD1-CE1 4.09Å; L305-F363 HydrophobicContact CD1-CZ 3.74Å
306Y95.3Very high93.6Very high8 Ų840.9 Ų40.93%0.03121%0.213CC..EExtended strand (participates in β ladder)trans-124150.4-179.5-54.3-98.3000110.5L294 F295 V297 L304 S308 P310 S315 L316 P319L294-Y306 CarbonylContact C-O 3.51Å; L294-Y306 VanDerWaalsContact CA-O 3.31Å; L294-Y306 WeakPolarHBondContact CA-O 3.23Å; F295-Y306 HydrophobicContact CD1-CD2 4.2Å; F295-Y306 PolarHBondContact N-O 3.31Å; F295-Y306 PolarHBondContact O-N 2.89Å; V297-Y306 HydrophobicContact CB-CE2 4.26Å; V297-Y306 HydrophobicContact CG2-CD2 4.19Å; V297-Y306 HydrophobicContact CG2-CE2 3.75Å; L304-Y306 HydrophobicContact CB-CE2 3.69Å; L304-Y306 WeakPolarHBondContact CD1-OH 3.48Å; Y306-S308 WeakPolarHBondContact CB-O 3.41Å; Y306-S308 PolarHBondContact O-N 3.35Å; Y306-P310 HydrophobicContact CD1-CB 4.2Å; Y306-P310 HydrophobicContact CD1-CG 4.21Å; Y306-P310 HydrophobicContact CD2-CG 4.4Å; Y306-P310 HydrophobicContact CE1-CB 4.21Å; Y306-P310 HydrophobicContact CE1-CG 4.18Å; Y306-P310 HydrophobicContact CE2-CG 4.37Å; Y306-P310 HydrophobicContact CG-CG 4.35Å; Y306-S315 WeakPolarHBondContact CE1-O 3.39Å; Y306-L316 PolarHBondContact OH-O 3.41Å; Y306-P319 HydrophobicContact CD1-CB 4.24Å; Y306-P319 VanDerWaalsContact CE1-CA 3.45Å; Y306-P319 HydrophobicContact CE1-CB 3.74Å; Y306-P319 HydrophobicContact CE2-CB 4.34Å
307S91.8Very high93.4Very high64 Ų6448 Ų4845%0.44824%0.239SC..SBendtrans-68.9-22.9172.652.40000113.7R231 S320R231-S307 WeakPolarHBondContact CD-O 3.14Å; S307-S320 PolarHBondContact N-OG 2.78Å
308S91.9Very high93.2Very high41 Ų4153.7 Ų53.729%0.28727%0.27SS..SBendtrans-152.7167.1178.758.20000109.7Y306Y306-S308 WeakPolarHBondContact CB-O 3.41Å; Y306-S308 PolarHBondContact O-N 3.35Å
309F93.5Very high93.1Very high8 Ų855.5 Ų55.54%0.03528%0.282CS..  trans-59.1128.4174.9179-110.5000111.1M207 S229 V263 M267 W281 F295 E311M207-F309 HydrophobicContact CB-CB 4.46Å; M207-F309 HydrophobicContact CB-CD2 3.87Å; M207-F309 HydrophobicContact CB-CE2 4.29Å; M207-F309 HydrophobicContact CB-CG 4.04Å; M207-F309 HydrophobicContact CG-CD2 3.61Å; M207-F309 HydrophobicContact CG-CE2 3.53Å; M207-F309 HydrophobicContact CG-CG 4.18Å; M207-F309 HydrophobicContact CG-CZ 4.03Å; S229-F309 WeakPolarHBondContact O-CB 3.38Å; S229-F309 PolarHBondContact O-N 2.9Å; S229-F309 VanDerWaalsContact O-N 3.11Å; V263-F309 HydrophobicContact CG1-CE2 3.75Å; V263-F309 HydrophobicContact CG1-CZ 3.81Å; M267-F309 HydrophobicContact SD-CE2 4.39Å; W281-F309 HydrophobicContact CZ2-CB 4.48Å; F295-F309 HydrophobicContact CD1-CD2 4.1Å; F295-F309 HydrophobicContact CD2-CD2 4.43Å; F295-F309 AromaticContact CE1-CD2 3.59Å; F295-F309 HydrophobicContact CE1-CD2 3.59Å; F295-F309 HydrophobicContact CE1-CE2 4.06Å; F295-F309 AromaticContact CE2-CD2 3.99Å; F295-F309 HydrophobicContact CE2-CD2 3.99Å; F295-F309 HydrophobicContact CG-CD2 4.49Å; F295-F309 AromaticContact CZ-CD2 3.54Å; F295-F309 HydrophobicContact CZ-CD2 3.54Å; F295-F309 AromaticContact CZ-CE2 3.95Å; F295-F309 HydrophobicContact CZ-CE2 3.95Å; F309-E311 HydrophobicContact CD1-CG 3.64Å; F309-E311 HydrophobicContact CE1-CG 4.01Å; F309-E311 PolarHBondContact O-N 3.04Å
310P92.4Very high93Very high3 Ų358.1 Ų58.12%0.01930%0.301CS..  trans-78.7104.3178.729.8-33.2000111.2M267 Y306 S315 L316M267-P310 HydrophobicContact CE-CG 4.11Å; Y306-P310 HydrophobicContact CD1-CB 4.2Å; Y306-P310 HydrophobicContact CD1-CG 4.21Å; Y306-P310 HydrophobicContact CD2-CG 4.4Å; Y306-P310 HydrophobicContact CE1-CB 4.21Å; Y306-P310 HydrophobicContact CE1-CG 4.18Å; Y306-P310 HydrophobicContact CE2-CG 4.37Å; Y306-P310 HydrophobicContact CG-CG 4.35Å; P310-S315 WeakPolarHBondContact CA-OG 3.36Å; P310-S315 WeakPolarHBondContact CB-OG 3.18Å; P310-L316 HydrophobicContact CB-CB 4.19Å; P310-L316 HydrophobicContact CB-CD1 4.34Å; P310-L316 HydrophobicContact CG-CD1 3.87Å
311E89.1Confident93Very high115 Ų11556.7 Ų56.754%0.53729%0.293SS..  trans-85.1-12.2-177.3-67.9176170.300113.7S229 F309 S315S229-E311 PolarHBondContact OG-OE1 3.2Å; F309-E311 HydrophobicContact CD1-CG 3.64Å; F309-E311 HydrophobicContact CE1-CG 4.01Å; F309-E311 PolarHBondContact O-N 3.04Å; E311-S315 PolarHBondContact N-OG 3.23Å
312S90.9Very high93.1Very high54 Ų5454.5 Ų54.538%0.37829%0.292SS..SBendtrans-128.3156.1-179.370.80000112.3E314 S315 L316S312-E314 PolarHBondContact O-N 3.38Å; S312-S315 PolarHBondContact N-OG 3.48Å; S312-S315 PolarHBondContact O-N 3.05Å; S312-S315 VanDerWaalsContact O-N 3.15Å; S312-S315 PolarHBondContact O-OG 3.02Å; S312-S315 WeakPolarHBondContact OG-CB 3.45Å; S312-S315 PolarHBondContact OG-N 2.72Å; S312-S315 PolarHBondContact OG-OG 3.48Å; S312-S315 VanDerWaalsContact OG-OG 3.05Å; S312-L316 WeakPolarHBondContact O-CB 3.34Å; S312-L316 PolarHBondContact O-N 3.08Å
313K92.1Very high93.1Very high95 Ų9552.7 Ų52.741%0.41328%0.282SS..Hα-helixtrans-55.3-35.4174.3-176.6173.5-175.6169.70113.3M270 R317M270-K313 HydrophobicContact CB-CB 4.45Å; M270-K313 VanDerWaalsContact O-CD 3.24Å; M270-K313 WeakPolarHBondContact O-CD 3.19Å; M270-K313 WeakPolarHBondContact O-CE 3.48Å; M270-K313 WeakPolarHBondContact O-CG 3.15Å; K313-R317 WeakPolarHBondContact O-CG 3.24Å; K313-R317 PolarHBondContact O-N 3.21Å
314E91.6Very high92.9Very high153 Ų15355.4 Ų55.472%0.71530%0.299SS*.Hα-helixtrans-70.7-45177.5-67.3178.3-178.300111.6S312 L316 R317 N318S312-E314 PolarHBondContact O-N 3.38Å; E314-L316 VanDerWaalsContact C-N 3.27Å; E314-L316 PolarHBondContact O-N 3.28Å; E314-R317 PolarHBondContact O-N 3.16Å; E314-N318 PolarHBondContact O-N 3.15Å; E314-N318 PolarHBondContact O-ND2 3.42Å
315S91.7Very high92.9Very high43 Ų4354.5 Ų54.530%0.30129%0.294SS..Hα-helixtrans-63.4-35.4175.562.70000112.3Y306 P310 E311 S312 R317 N318Y306-S315 WeakPolarHBondContact CE1-O 3.39Å; P310-S315 WeakPolarHBondContact CA-OG 3.36Å; P310-S315 WeakPolarHBondContact CB-OG 3.18Å; E311-S315 PolarHBondContact N-OG 3.23Å; S312-S315 PolarHBondContact N-OG 3.48Å; S312-S315 PolarHBondContact O-N 3.05Å; S312-S315 VanDerWaalsContact O-N 3.15Å; S312-S315 PolarHBondContact O-OG 3.02Å; S312-S315 WeakPolarHBondContact OG-CB 3.45Å; S312-S315 PolarHBondContact OG-N 2.72Å; S312-S315 PolarHBondContact OG-OG 3.48Å; S312-S315 VanDerWaalsContact OG-OG 3.05Å; S315-R317 VanDerWaalsContact C-N 3.32Å; S315-R317 PolarHBondContact O-N 3.39Å; S315-N318 PolarHBondContact O-N 3.01Å
316L91.9Very high92.7Very high2 Ų255 Ų551%0.0130%0.297CS..Hα-helixtrans-67.3-31.8178.5-177.462.3000112.7M267 M270 Q271 M274 Y306 P310 S312 E314 N318M267-L316 HydrophobicContact CE-CD1 3.37Å; M270-L316 HydrophobicContact CB-CD2 3.98Å; M270-L316 HydrophobicContact CE-CD2 4.42Å; Q271-L316 HydrophobicContact CB-CD2 3.89Å; M274-L316 HydrophobicContact CE-CD1 3.97Å; M274-L316 HydrophobicContact CE-CD2 3.7Å; M274-L316 HydrophobicContact CE-CG 4.21Å; M274-L316 HydrophobicContact SD-CD1 4.24Å; Y306-L316 PolarHBondContact OH-O 3.41Å; P310-L316 HydrophobicContact CB-CB 4.19Å; P310-L316 HydrophobicContact CB-CD1 4.34Å; P310-L316 HydrophobicContact CG-CD1 3.87Å; S312-L316 WeakPolarHBondContact O-CB 3.34Å; S312-L316 PolarHBondContact O-N 3.08Å; E314-L316 VanDerWaalsContact C-N 3.27Å; E314-L316 PolarHBondContact O-N 3.28Å; L316-N318 VanDerWaalsContact C-N 3.26Å; L316-N318 PolarHBondContact O-N 2.85Å
317R91.9Very high92.6Very high148 Ų14855 Ų5556%0.55830%0.298SS*.Hα-helixtrans-77.7-13177.5-74172.8173.8-169.7-7.2113.7K313 E314 S315 P319K313-R317 WeakPolarHBondContact O-CG 3.24Å; K313-R317 PolarHBondContact O-N 3.21Å; E314-R317 PolarHBondContact O-N 3.16Å; S315-R317 VanDerWaalsContact C-N 3.32Å; S315-R317 PolarHBondContact O-N 3.39Å; R317-P319 WeakPolarHBondContact O-CD 3.33Å
318N92.6Very high92.6Very high121 Ų12152.1 Ų52.165%0.64728%0.277SS*.  trans-120.468.5-172.7-66-56.5000110.9E314 S315 L316E314-N318 PolarHBondContact O-N 3.15Å; E314-N318 PolarHBondContact O-ND2 3.42Å; S315-N318 PolarHBondContact O-N 3.01Å; L316-N318 VanDerWaalsContact C-N 3.26Å; L316-N318 PolarHBondContact O-N 2.85Å
319P94.7Very high92.6Very high38 Ų3856.2 Ų56.225%0.24729%0.287CS..  trans-63.9149.3173.230.3-36.1000111.1L304 Y306 R317 K321L304-P319 HydrophobicContact CB-CB 4.19Å; L304-P319 HydrophobicContact CD2-CG 4.3Å; Y306-P319 HydrophobicContact CD1-CB 4.24Å; Y306-P319 VanDerWaalsContact CE1-CA 3.45Å; Y306-P319 HydrophobicContact CE1-CB 3.74Å; Y306-P319 HydrophobicContact CE2-CB 4.34Å; R317-P319 WeakPolarHBondContact O-CD 3.33Å; P319-K321 VanDerWaalsContact C-N 3.32Å
320S92.9Very high92.5Very high66 Ų6657.8 Ų57.846%0.46230%0.295SS..SBendtrans-66.7-36.3173.7-53.30000111.8L305 S307L305-S320 WeakPolarHBondContact O-CA 3.39Å; L305-S320 WeakPolarHBondContact O-CB 3.43Å; L305-S320 PolarHBondContact O-N 3.33Å; S307-S320 PolarHBondContact N-OG 2.78Å
321K92.3Very high92.3Very high53 Ų5361.1 Ų61.123%0.2332%0.315CS..EExtended strand (participates in β ladder)trans-142145.4172-60.7173.8176.7167.70109.4E284 L305 P319 H361E284-K321 IonicContact OE1-NZ 3.88Å; E284-K321 PolarHBondContact OE1-NZ 2.9Å; E284-K321 IonicContact OE2-NZ 2.99Å; E284-K321 PolarHBondContact OE2-NZ 2.65Å; L305-K321 HydrophobicContact CB-CB 4.17Å; L305-K321 HydrophobicContact CD1-CB 4.16Å; L305-K321 HydrophobicContact CD1-CD 4.18Å; L305-K321 HydrophobicContact CG-CB 4.5Å; L305-K321 PolarHBondContact N-O 3.35Å; L305-K321 PolarHBondContact O-N 3.04Å; L305-K321 VanDerWaalsContact O-N 3.13Å; P319-K321 VanDerWaalsContact C-N 3.32Å; K321-H361 PolarHBondContact NZ-CE1 2.69Å
322S94.4Very high92.3Very high68 Ų6859.4 Ų59.448%0.47630%0.304SS..EExtended strand (participates in β ladder)trans-135.1121.3177.6-176.50000109.2L304L304-S322 VanDerWaalsContact CD2-OG 3.23Å; L304-S322 WeakPolarHBondContact CD2-OG 3.33Å
323H93.9Very high92.2Very high8 Ų859.6 Ų59.64%0.03731%0.306CS..EExtended strand (participates in β ladder)trans-120.2122.4-179.5-54.6-68.9000110D302 L303 S352 E359 H361D302-H323 CarbonylContact C-O 3.49Å; D302-H323 WeakPolarHBondContact CA-O 3.46Å; L303-H323 HydrophobicContact CB-CB 4.5Å; L303-H323 PolarHBondContact N-O 3.42Å; L303-H323 PolarHBondContact O-N 3.26Å; H323-S352 WeakPolarHBondContact ND1-CB 3.47Å; H323-E359 IonicContact CE1-OE2 3.74Å; H323-E359 PolarHBondContact CE1-OE2 2.86Å; H323-H361 AromaticContact CE1-CD2 3.93Å; H323-H361 AromaticContact CE1-NE2 3.42Å; H323-H361 PolarHBondContact CE1-NE2 3Å; H323-H361 AromaticContact NE2-CD2 3.88Å; H323-H361 AromaticContact NE2-NE2 3.63Å
324T93.9Very high91.7Very high57 Ų5755.8 Ų55.835%0.3529%0.294SS..EExtended strand (participates in β ladder)trans-73134.917770.90000109.4D302 I326 T327 T328D302-T324 WeakPolarHBondContact OD1-CA 3.4Å; D302-T324 WeakPolarHBondContact OD1-CG2 3.2Å; T324-I326 VanDerWaalsContact C-N 3.33Å; T324-I326 PolarHBondContact O-N 3.44Å; T324-T327 CarbonylContact O-C 3.48Å; T324-T327 PolarHBondContact O-N 3.03Å; T324-T327 PolarHBondContact O-OG1 3.46Å; T324-T327 VanDerWaalsContact O-OG1 3.09Å; T324-T327 WeakPolarHBondContact OG1-CG2 3.47Å; T324-T327 PolarHBondContact OG1-OG1 3.17Å; T324-T328 WeakPolarHBondContact O-CB 3.48Å; T324-T328 PolarHBondContact O-N 3.41Å; T324-T328 VanDerWaalsContact O-N 3.15Å; T324-T328 PolarHBondContact O-OG1 3.34Å
325L94.9Very high90.7Very high0 Ų052.3 Ų52.30%028%0.284CS..G310 helixtrans-66.2-35.5-173.7-68178.2000112.2L298 T299 K301 L303 T327 T328 L378 C382 A385L298-L325 HydrophobicContact CD1-CD1 3.87Å; L298-L325 HydrophobicContact CD1-CD2 3.7Å; L298-L325 HydrophobicContact CD1-CG 4.35Å; T299-L325 WeakPolarHBondContact O-CD1 3.24Å; K301-L325 WeakPolarHBondContact O-CB 3.26Å; K301-L325 WeakPolarHBondContact O-CG 3.45Å; K301-L325 PolarHBondContact O-N 2.73Å; L303-L325 HydrophobicContact CB-CD2 4.23Å; L325-T327 PolarHBondContact O-N 3.45Å; L325-T328 PolarHBondContact O-N 3.26Å; L325-L378 HydrophobicContact CD2-CD2 4.36Å; L325-C382 PolarHBondContact O-SG 3.03Å; L325-C382 VanDerWaalsContact O-SG 3.35Å; L325-A385 HydrophobicContact CB-CB 3.78Å
326I92.9Very high89.2Confident9 Ų950.9 Ų50.95%0.04628%0.276CS..G310 helixtrans-62.2-26.5177.5-163.1171.8000112.9T324 I389 V392 I471 S474 F475T324-I326 VanDerWaalsContact C-N 3.33Å; T324-I326 PolarHBondContact O-N 3.44Å; I326-I389 HydrophobicContact CB-CD1 3.8Å; I326-I389 HydrophobicContact CD1-CB 3.88Å; I326-I389 HydrophobicContact CD1-CD1 3.62Å; I326-I389 HydrophobicContact CD1-CG1 4.34Å; I326-I389 HydrophobicContact CD1-CG2 3.8Å; I326-I389 HydrophobicContact CG1-CD1 4.28Å; I326-I389 HydrophobicContact CG2-CD1 3.7Å; I326-V392 HydrophobicContact CD1-CG2 3.94Å; I326-I471 HydrophobicContact CD1-CG2 4.05Å; I326-I471 HydrophobicContact CG1-CG1 4.26Å; I326-I471 HydrophobicContact CG1-CG2 4.22Å; I326-S474 PolarHBondContact O-OG 3.28Å; I326-F475 HydrophobicContact CD1-CE1 3.9Å; I326-F475 HydrophobicContact CD1-CZ 3.83Å
327T92.8Very high87.4Confident10 Ų1061 Ų616%0.06132%0.32CS..G310 helixtrans-102.45.8177.270.30000113T324 L325 S352 G353 T467 F470 I471T324-T327 CarbonylContact O-C 3.48Å; T324-T327 PolarHBondContact O-N 3.03Å; T324-T327 PolarHBondContact O-OG1 3.46Å; T324-T327 VanDerWaalsContact O-OG1 3.09Å; T324-T327 WeakPolarHBondContact OG1-CG2 3.47Å; T324-T327 PolarHBondContact OG1-OG1 3.17Å; L325-T327 PolarHBondContact O-N 3.45Å; T327-S352 WeakPolarHBondContact O-CA 3.33Å; T327-G353 PolarHBondContact O-N 3.02Å; T327-G353 PolarHBondContact OG1-O 3.34Å; T327-T467 HydrophobicContact CG2-CG2 3.55Å; T327-F470 WeakPolarHBondContact O-CD2 3.29Å; T327-I471 HydrophobicContact CG2-CD1 3.89Å; T327-I471 HydrophobicContact CG2-CG1 3.84Å
328T93Very high85.3Confident2 Ų259.7 Ų59.71%0.01233%0.334CS..EExtended strand (participates in β ladder)trans-106.8141-178.6-63.20000110T324 L325 L350 R351 S352 C382T324-T328 WeakPolarHBondContact O-CB 3.48Å; T324-T328 PolarHBondContact O-N 3.41Å; T324-T328 VanDerWaalsContact O-N 3.15Å; T324-T328 PolarHBondContact O-OG1 3.34Å; L325-T328 PolarHBondContact O-N 3.26Å; T328-L350 HydrophobicContact CG2-CB 4.49Å; T328-L350 HydrophobicContact CG2-CD1 4.22Å; T328-L350 HydrophobicContact CG2-CD2 4.37Å; T328-R351 CarbonylContact C-O 3.6Å; T328-R351 WeakPolarHBondContact CA-O 3.34Å; T328-S352 WeakPolarHBondContact CG2-OG 3.47Å; T328-S352 PolarHBondContact OG1-OG 3.43Å; T328-C382 PolarHBondContact O-SG 2.93Å; T328-C382 VanDerWaalsContact O-SG 3.32Å
329R90.4Very high82.8Confident128 Ų12856.2 Ų56.248%0.48332%0.319SS..EExtended strand (participates in β ladder)trans-136.3134.9179.3-176.4171.3179.51631.6111.1V331 L350 R351 H473R329-V331 PolarHBondContact O-N 2.86Å; R329-L350 WeakPolarHBondContact O-CA 3.2Å; R329-R351 PolarHBondContact N-O 3.35Å; R329-R351 PolarHBondContact O-N 3.15Å; R329-H473 PolarHBondContact NH1-ND1 3.14Å
330L91.9Very high80.1Confident41 Ų4159.2 Ų59.222%0.21534%0.341CS..EExtended strand (participates in β ladder)trans-73.1120.8165.5-174.569.5000109.7Y332 F348 L350 T375 V379L330-Y332 WeakPolarHBondContact CD1-O 3.3Å; L330-F348 HydrophobicContact CD1-CB 3.97Å; L330-F348 HydrophobicContact CD1-CD2 3.98Å; L330-F348 HydrophobicContact CD1-CG 4.4Å; L330-L350 HydrophobicContact CB-CD2 4.25Å; L330-L350 HydrophobicContact CD1-CD2 3.83Å; L330-T375 HydrophobicContact CD1-CG2 4.11Å; L330-T375 HydrophobicContact CD2-CG2 4.2Å; L330-V379 HydrophobicContact CB-CG2 4.09Å; L330-V379 HydrophobicContact CD2-CG2 3.67Å
331V89.1Confident77.8Confident72 Ų7264.9 Ų64.944%0.43637%0.365SS..EExtended strand (participates in β ladder)trans-93.4-43.5-178.8-177.80000111.1R329 G349 R351R329-V331 PolarHBondContact O-N 2.86Å; V331-G349 PolarHBondContact N-O 2.66Å; V331-R351 HydrophobicContact CG2-CB 3.87Å; V331-R351 HydrophobicContact CG2-CG 3.57Å
332Y88.8Confident75.3Confident79 Ų7970.6 Ų70.631%0.3140%0.397SS..EExtended strand (participates in β ladder)trans-152.4156.7176.978.7-91.7000110.4L330 S347 F348 G349 V362L330-Y332 WeakPolarHBondContact CD1-O 3.3Å; Y332-S347 WeakPolarHBondContact CE2-OG 3.47Å; Y332-S347 PolarHBondContact OH-OG 3.27Å; Y332-F348 CarbonylContact O-C 3.49Å; Y332-F348 VanDerWaalsContact O-CA 3.23Å; Y332-F348 WeakPolarHBondContact O-CA 3.43Å; Y332-F348 WeakPolarHBondContact O-CB 3.26Å; Y332-G349 PolarHBondContact O-N 2.9Å; Y332-V362 HydrophobicContact CE1-CG2 4.17Å; Y332-V362 WeakPolarHBondContact OH-CG1 3.36Å
333S89.1Confident73.1Confident59 Ų5971.7 Ų71.741%0.41340%0.398SS..EExtended strand (participates in β ladder)trans-141.8128.9170.4172.40000107.4T375S333-T375 WeakPolarHBondContact OG-CG2 3.45Å
334G81.3Confident71.3Confident15 Ų1575.4 Ų75.416%0.15542%0.424CS..EExtended strand (participates in β ladder)trans150-175.1177.200000114G336 S347G334-G336 PolarHBondContact O-N 3.01Å; G334-S347 PolarHBondContact N-O 3.28Å; G334-S347 PolarHBondContact O-N 2.86Å; G334-S347 PolarHBondContact O-OG 2.95Å
335P70.1Confident70.4Confident79 Ų7974.2 Ų74.251%0.51342%0.415SS..EExtended strand (participates in β ladder)trans-61.9133.9173.125.6-31.5000109.9K337 E345P335-K337 PolarHBondContact O-N 3Å; P335-E345 WeakPolarHBondContact CA-O 3.08Å
336G60.8Low70.1Confident14 Ų1476.3 Ų76.314%0.14443%0.426CS..  trans-54.3132.6-178.100000112.4G334 S338 E345G334-G336 PolarHBondContact O-N 3.01Å; G336-S338 PolarHBondContact O-N 3.02Å; G336-E345 PolarHBondContact N-O 3.29Å
337K53.5Low70Confident215 Ų21575.9 Ų75.994%0.93542%0.423SS*.THydrogen-bonded Turntrans-68.2-4-178-67.3-175178.1-177.80114.3P335P335-K337 PolarHBondContact O-N 3Å
338S47.9Very low70.1Confident120 Ų12075.4 Ų75.484%0.83942%0.421SS*.THydrogen-bonded Turntrans-117.21.9-170.6570000115.2G336G336-S338 PolarHBondContact O-N 3.02Å
339S40.2Very low70Confident48 Ų4875.4 Ų75.434%0.33642%0.421SS..  trans-95131.4179.863.70000112.2D343S339-D343 VanDerWaalsContact CB-O 3.26Å; S339-D343 WeakPolarHBondContact CB-O 3.38Å; S339-D343 PolarHBondContact OG-O 3.11Å
340S39.1Very low70.2Confident100 Ų10069.4 Ų69.470%0.69940%0.399SS*.  trans-53.3148163.242.50000110.4L342 D343S340-L342 PolarHBondContact O-N 3.46Å; S340-D343 PolarHBondContact O-N 3.22Å
341L42.5Very low70.2Confident186 Ų18672.8 Ų72.897%0.97441%0.408SS*.THydrogen-bonded Turntrans-46.88.1-168.9-68.7161000119.5
342L40.4Very low70.3Confident173 Ų17369.4 Ų69.491%0.90639%0.388SS*.THydrogen-bonded Turntrans-115-9.4-175.1-73.6161.5000115S340S340-L342 PolarHBondContact O-N 3.46Å
343D48.7Very low70.2Confident91 Ų9166.1 Ų66.149%0.48738%0.379SS..  trans-14191.3173.9-158.613000110.2S339 S340 E345S339-D343 VanDerWaalsContact CB-O 3.26Å; S339-D343 WeakPolarHBondContact CB-O 3.38Å; S339-D343 PolarHBondContact OG-O 3.11Å; S340-D343 PolarHBondContact O-N 3.22Å; D343-E345 PolarHBondContact O-N 3.38Å
344S56.7Low69.9Low86 Ų8665 Ų6560%0.60137%0.369SS*.  trans-70.579.5172.4-770000108.7L346S344-L346 PolarHBondContact O-N 3.33Å
345E73.8Confident69.5Low32 Ų3274.2 Ų74.215%0.1541%0.405CS..  trans-66.2107.3-173.2-161.4169.2-149.600110.1K213 Q285 P335 G336 D343 S347 R364K213-E345 IonicContact NZ-OE1 2.96Å; K213-E345 PolarHBondContact NZ-OE1 3.13Å; Q285-E345 PolarHBondContact NE2-OE1 2.79Å; Q285-E345 PolarHBondContact NE2-OE2 3.42Å; P335-E345 WeakPolarHBondContact CA-O 3.08Å; G336-E345 PolarHBondContact N-O 3.29Å; D343-E345 PolarHBondContact O-N 3.38Å; E345-S347 PolarHBondContact O-N 3.48Å; E345-S347 PolarHBondContact O-OG 2.84Å; E345-R364 HydrophobicContact CG-CG 3.9Å; E345-R364 WeakPolarHBondContact OE1-CD 3.46Å; E345-R364 IonicContact OE1-NE 3.73Å
346L88.8Confident69.7Low43 Ų4379.3 Ų79.323%0.22542%0.422CS..EExtended strand (participates in β ladder)trans-68.3102-178.1-64175.2000109.2S344 R364 V365 T367 A368 L371S344-L346 PolarHBondContact O-N 3.33Å; L346-R364 WeakPolarHBondContact O-CA 3.36Å; L346-V365 HydrophobicContact CB-CG2 3.96Å; L346-V365 PolarHBondContact O-N 2.87Å; L346-T367 VanDerWaalsContact CD1-C 3.4Å; L346-A368 HydrophobicContact CD1-CB 4.23Å; L346-A368 VanDerWaalsContact CD1-N 3.3Å; L346-L371 HydrophobicContact CB-CD2 4.24Å; L346-L371 HydrophobicContact CD2-CD2 4.06Å
347S91.3Very high70.6Confident0 Ų079.1 Ų79.10%042%0.42CS..EExtended strand (participates in β ladder)trans-136.9158.7-173.563.30000113.1Y332 G334 E345 F363Y332-S347 WeakPolarHBondContact CE2-OG 3.47Å; Y332-S347 PolarHBondContact OH-OG 3.27Å; G334-S347 PolarHBondContact N-O 3.28Å; G334-S347 PolarHBondContact O-N 2.86Å; G334-S347 PolarHBondContact O-OG 2.95Å; E345-S347 PolarHBondContact O-N 3.48Å; E345-S347 PolarHBondContact O-OG 2.84Å; S347-F363 CarbonylContact C-O 3.53Å; S347-F363 WeakPolarHBondContact CA-O 3.14Å; S347-F363 WeakPolarHBondContact CB-O 3.4Å
348F93.8Very high72.1Confident1 Ų171 Ų710%0.00439%0.388CS..EExtended strand (participates in β ladder)trans-139.9146.5170.566.8-88.5000110.7L282 L330 Y332 L350 F363 V365 L371 W374 T375 L378L282-F348 HydrophobicContact CD1-CZ 3.93Å; L282-F348 HydrophobicContact CD2-CE1 3.95Å; L282-F348 HydrophobicContact CD2-CZ 4.02Å; L330-F348 HydrophobicContact CD1-CB 3.97Å; L330-F348 HydrophobicContact CD1-CD2 3.98Å; L330-F348 HydrophobicContact CD1-CG 4.4Å; Y332-F348 CarbonylContact O-C 3.49Å; Y332-F348 VanDerWaalsContact O-CA 3.23Å; Y332-F348 WeakPolarHBondContact O-CA 3.43Å; Y332-F348 WeakPolarHBondContact O-CB 3.26Å; F348-L350 HydrophobicContact CD2-CD2 4.18Å; F348-L350 HydrophobicContact CD2-CG 4.03Å; F348-L350 HydrophobicContact CE2-CD1 4.02Å; F348-L350 HydrophobicContact CE2-CD2 4.31Å; F348-L350 HydrophobicContact CE2-CG 3.9Å; F348-F363 HydrophobicContact CD1-CB 4.19Å; F348-F363 HydrophobicContact CD2-CB 4.44Å; F348-F363 HydrophobicContact CD2-CD2 4.25Å; F348-F363 HydrophobicContact CE1-CB 3.71Å; F348-F363 HydrophobicContact CE2-CB 3.98Å; F348-F363 AromaticContact CE2-CD2 3.6Å; F348-F363 HydrophobicContact CE2-CD2 3.6Å; F348-F363 HydrophobicContact CE2-CG 4.17Å; F348-F363 HydrophobicContact CZ-CB 3.6Å; F348-F363 AromaticContact CZ-CD2 3.93Å; F348-F363 HydrophobicContact CZ-CD2 3.93Å; F348-F363 HydrophobicContact CZ-CG 4.05Å; F348-F363 PolarHBondContact N-O 3.37Å; F348-F363 PolarHBondContact O-N 2.82Å; F348-V365 HydrophobicContact CE1-CG1 4.03Å; F348-L371 HydrophobicContact CB-CD1 4Å; F348-L371 HydrophobicContact CD1-CD1 3.79Å; F348-L371 HydrophobicContact CG-CD1 4.36Å; F348-W374 HydrophobicContact CE1-CB 4.04Å; F348-W374 HydrophobicContact CE1-CG 4.4Å; F348-W374 HydrophobicContact CZ-CB 4.2Å; F348-W374 HydrophobicContact CZ-CG 4.48Å; F348-T375 HydrophobicContact CB-CG2 3.66Å; F348-T375 HydrophobicContact CD1-CG2 4.19Å; F348-T375 HydrophobicContact CD2-CG2 4.45Å; F348-T375 HydrophobicContact CG-CG2 3.87Å; F348-L378 HydrophobicContact CD2-CD1 4.25Å; F348-L378 HydrophobicContact CE2-CD1 3.57Å; F348-L378 HydrophobicContact CZ-CD1 4.06Å
349G92.7Very high74.1Confident2 Ų268.9 Ų68.92%0.02137%0.365CS..EExtended strand (participates in β ladder)trans-106.9130.3-179.700000111.6V331 Y332 H361V331-G349 PolarHBondContact N-O 2.66Å; Y332-G349 PolarHBondContact O-N 2.9Å; G349-H361 CarbonylContact C-O 3.6Å; G349-H361 WeakPolarHBondContact CA-O 3.37Å
350L93.8Very high76.5Confident2 Ų270.5 Ų70.51%0.0137%0.373CS..EExtended strand (participates in β ladder)trans-110.1143.9171.4-64.8-172.2000111.1L303 T328 R329 L330 F348 T360 H361 F363 L378L303-L350 HydrophobicContact CD2-CD1 3.49Å; L303-L350 VanDerWaalsContact CD2-CD1 3.49Å; T328-L350 HydrophobicContact CG2-CB 4.49Å; T328-L350 HydrophobicContact CG2-CD1 4.22Å; T328-L350 HydrophobicContact CG2-CD2 4.37Å; R329-L350 WeakPolarHBondContact O-CA 3.2Å; L330-L350 HydrophobicContact CB-CD2 4.25Å; L330-L350 HydrophobicContact CD1-CD2 3.83Å; F348-L350 HydrophobicContact CD2-CD2 4.18Å; F348-L350 HydrophobicContact CD2-CG 4.03Å; F348-L350 HydrophobicContact CE2-CD1 4.02Å; F348-L350 HydrophobicContact CE2-CD2 4.31Å; F348-L350 HydrophobicContact CE2-CG 3.9Å; L350-T360 CarbonylContact O-C 3.15Å; L350-T360 WeakPolarHBondContact O-CA 3.38Å; L350-H361 PolarHBondContact N-O 3.42Å; L350-H361 PolarHBondContact O-N 2.8Å; L350-F363 HydrophobicContact CB-CE2 4.3Å; L350-F363 HydrophobicContact CD1-CD2 4.26Å; L350-F363 HydrophobicContact CD1-CE2 3.88Å; L350-F363 HydrophobicContact CG-CD2 4.28Å; L350-F363 HydrophobicContact CG-CE2 4.16Å; L350-L378 HydrophobicContact CD1-CD1 4.12Å; L350-L378 HydrophobicContact CD1-CD2 4.3Å; L350-L378 HydrophobicContact CD2-CD1 4.25Å
351R92.4Very high78.9Confident111 Ų11166.3 Ų66.342%0.41934%0.342SS..EExtended strand (participates in β ladder)trans-120.2126.8165.2-83.4178.4-179.8-1791.5109.3T328 R329 V331 V358 E359 T360 F470T328-R351 CarbonylContact C-O 3.6Å; T328-R351 WeakPolarHBondContact CA-O 3.34Å; R329-R351 PolarHBondContact N-O 3.35Å; R329-R351 PolarHBondContact O-N 3.15Å; V331-R351 HydrophobicContact CG2-CB 3.87Å; V331-R351 HydrophobicContact CG2-CG 3.57Å; R351-V358 HydrophobicContact CB-CG1 3.89Å; R351-V358 HydrophobicContact CG-CG1 3.95Å; R351-E359 CarbonylContact C-O 3.58Å; R351-E359 VanDerWaalsContact CA-O 3.28Å; R351-E359 WeakPolarHBondContact CA-O 3.36Å; R351-T360 HydrophobicContact CG-CG2 4.14Å; R351-T360 WeakPolarHBondContact CG-OG1 3.41Å; R351-F470 HydrophobicContact CB-CE2 3.84Å; R351-F470 HydrophobicContact CB-CZ 4.09Å
352S91.5Very high81.3Confident1 Ų158.9 Ų58.91%0.00730%0.304CS..EExtended strand (participates in β ladder)trans-123.3130.9-178.9-63.60000110.4H323 T327 T328 V358 E359H323-S352 WeakPolarHBondContact ND1-CB 3.47Å; T327-S352 WeakPolarHBondContact O-CA 3.33Å; T328-S352 WeakPolarHBondContact CG2-OG 3.47Å; T328-S352 PolarHBondContact OG1-OG 3.43Å; S352-V358 WeakPolarHBondContact O-CA 3.24Å; S352-E359 PolarHBondContact N-O 3.07Å; S352-E359 PolarHBondContact O-N 2.83Å
353G86.6Confident83.8Confident11 Ų1150.7 Ų50.711%0.11326%0.261CS..EExtended strand (participates in β ladder)trans-74.3128.4174.100000110.9T327 T467T327-G353 PolarHBondContact O-N 3.02Å; T327-G353 PolarHBondContact OG1-O 3.34Å; G353-T467 WeakPolarHBondContact CA-OG1 3.26Å
354T82.4Confident85.8Confident35 Ų3547.1 Ų47.122%0.21524%0.241CC..EExtended strand (participates in β ladder)trans-124.5173.6176.277.30000110.1Q356 G357 E359 T467T354-Q356 PolarHBondContact O-N 3.09Å; T354-Q356 PolarHBondContact OG1-N 3.05Å; T354-Q356 VanDerWaalsContact OG1-N 3.15Å; T354-G357 WeakPolarHBondContact CA-O 3.31Å; T354-G357 WeakPolarHBondContact CB-O 3.17Å; T354-G357 PolarHBondContact N-O 2.84Å; T354-G357 PolarHBondContact O-N 3.38Å; T354-G357 PolarHBondContact OG1-N 3.09Å; T354-G357 PolarHBondContact OG1-O 3.21Å; T354-E359 HydrophobicContact CG2-CB 4.39Å; T354-E359 HydrophobicContact CG2-CG 3.75Å; T354-T467 PolarHBondContact N-OG1 2.91Å; T354-T467 PolarHBondContact O-OG1 3.07Å
355K73.3Confident87.4Confident208 Ų20843.3 Ų43.390%0.90421%0.214SC*.THydrogen-bonded Turntrans-64.3-23.6173.1-64.9-175.6179.5-179.40112.9
356Q72.7Confident87.9Confident187 Ų18744 Ų4487%0.87422%0.219SC*.THydrogen-bonded Turntrans-97.6-1.1-177.8-63.1-176.51.400113T354T354-Q356 PolarHBondContact O-N 3.09Å; T354-Q356 PolarHBondContact OG1-N 3.05Å; T354-Q356 VanDerWaalsContact OG1-N 3.15Å
357G80Confident87.7Confident9 Ų943.7 Ų43.79%0.09322%0.219CC..EExtended strand (participates in β ladder)trans126.3-154-176.700000112T354T354-G357 WeakPolarHBondContact CA-O 3.31Å; T354-G357 WeakPolarHBondContact CB-O 3.17Å; T354-G357 PolarHBondContact N-O 2.84Å; T354-G357 PolarHBondContact O-N 3.38Å; T354-G357 PolarHBondContact OG1-N 3.09Å; T354-G357 PolarHBondContact OG1-O 3.21Å
358V86.4Confident87.6Confident45 Ų4546.8 Ų46.827%0.27325%0.245SC..EExtended strand (participates in β ladder)trans-101.4123.2-178.3173.70000110.8R351 S352 K466 F470R351-V358 HydrophobicContact CB-CG1 3.89Å; R351-V358 HydrophobicContact CG-CG1 3.95Å; S352-V358 WeakPolarHBondContact O-CA 3.24Å; V358-K466 HydrophobicContact CB-CD 4.32Å; V358-K466 HydrophobicContact CG2-CB 3.8Å; V358-K466 HydrophobicContact CG2-CD 3.52Å; V358-K466 HydrophobicContact CG2-CG 3.48Å; V358-K466 VanDerWaalsContact CG2-CG 3.48Å; V358-F470 HydrophobicContact CB-CE2 4.44Å; V358-F470 HydrophobicContact CB-CZ 4.47Å; V358-F470 HydrophobicContact CG1-CE2 3.77Å; V358-F470 HydrophobicContact CG1-CZ 3.86Å; V358-F470 HydrophobicContact CG2-CD2 4.49Å; V358-F470 HydrophobicContact CG2-CE2 3.72Å; V358-F470 HydrophobicContact CG2-CZ 3.74Å
359E89.3Confident87.5Confident76 Ų7654.8 Ų54.836%0.35528%0.279SS..EExtended strand (participates in β ladder)trans-89.2140169.4-65.2-177.3168.900109.5H323 R351 S352 T354 H361H323-E359 IonicContact CE1-OE2 3.74Å; H323-E359 PolarHBondContact CE1-OE2 2.86Å; R351-E359 CarbonylContact C-O 3.58Å; R351-E359 VanDerWaalsContact CA-O 3.28Å; R351-E359 WeakPolarHBondContact CA-O 3.36Å; S352-E359 PolarHBondContact N-O 3.07Å; S352-E359 PolarHBondContact O-N 2.83Å; T354-E359 HydrophobicContact CG2-CB 4.39Å; T354-E359 HydrophobicContact CG2-CG 3.75Å; E359-H361 WeakPolarHBondContact CB-NE2 3.34Å; E359-H361 IonicContact OE2-NE2 3.6Å; E359-H361 PolarHBondContact OE2-NE2 3.11Å
360T90.1Very high87.4Confident81 Ų8157.5 Ų57.550%0.49729%0.291SS..EExtended strand (participates in β ladder)trans-118128.3175.3-57.30000108.9L350 R351L350-T360 CarbonylContact O-C 3.15Å; L350-T360 WeakPolarHBondContact O-CA 3.38Å; R351-T360 HydrophobicContact CG-CG2 4.14Å; R351-T360 WeakPolarHBondContact CG-OG1 3.41Å
361H90.3Very high87.4Confident13 Ų1358 Ų586%0.0629%0.294CS..EExtended strand (participates in β ladder)trans-125.2138.4178.7-58.6-75.5000109.6E284 K321 H323 G349 L350 E359 F363E284-H361 IonicContact OE1-CE1 2.61Å; E284-H361 IonicContact OE1-CG 3.29Å; E284-H361 IonicContact OE1-ND1 2.82Å; E284-H361 PolarHBondContact OE1-ND1 3.29Å; K321-H361 PolarHBondContact NZ-CE1 2.69Å; H323-H361 AromaticContact CE1-CD2 3.93Å; H323-H361 AromaticContact CE1-NE2 3.42Å; H323-H361 PolarHBondContact CE1-NE2 3Å; H323-H361 AromaticContact NE2-CD2 3.88Å; H323-H361 AromaticContact NE2-NE2 3.63Å; G349-H361 CarbonylContact C-O 3.6Å; G349-H361 WeakPolarHBondContact CA-O 3.37Å; L350-H361 PolarHBondContact N-O 3.42Å; L350-H361 PolarHBondContact O-N 2.8Å; E359-H361 WeakPolarHBondContact CB-NE2 3.34Å; E359-H361 IonicContact OE2-NE2 3.6Å; E359-H361 PolarHBondContact OE2-NE2 3.11Å; H361-F363 HydrophobicContact CB-CD2 4.25Å; H361-F363 HydrophobicContact CB-CE1 4.35Å; H361-F363 HydrophobicContact CB-CE2 3.41Å; H361-F363 VanDerWaalsContact CB-CE2 3.41Å; H361-F363 HydrophobicContact CB-CZ 3.48Å; H361-F363 VanDerWaalsContact CB-CZ 3.48Å
362V91.6Very high87.5Confident29 Ų2956.3 Ų56.318%0.17630%0.299CS..EExtended strand (participates in β ladder)trans-113.8124.7170.8174.60000107.8E284 Q285 Y332E284-V362 WeakPolarHBondContact CA-O 3.5Å; Q285-V362 HydrophobicContact CB-CB 4.14Å; Q285-V362 HydrophobicContact CB-CG1 4.09Å; Q285-V362 HydrophobicContact CG-CG1 4.21Å; Q285-V362 PolarHBondContact N-O 3.17Å; Y332-V362 HydrophobicContact CE1-CG2 4.17Å; Y332-V362 WeakPolarHBondContact OH-CG1 3.36Å
363F92.9Very high87.6Confident1 Ų158.5 Ų58.50%0.00431%0.312CS..EExtended strand (participates in β ladder)trans-114.4133.4179.8-60.8-72.5000110.1L282 I283 E284 L294 L305 S347 F348 L350 H361L282-F363 HydrophobicContact CB-CB 4.45Å; L282-F363 HydrophobicContact CB-CD1 4.01Å; L282-F363 HydrophobicContact CB-CG 4.49Å; L282-F363 HydrophobicContact CD1-CB 4.36Å; L282-F363 HydrophobicContact CD1-CD1 4.1Å; L282-F363 HydrophobicContact CD1-CG 4.08Å; I283-F363 CarbonylContact O-C 3.45Å; I283-F363 WeakPolarHBondContact O-CA 3.43Å; E284-F363 HydrophobicContact CB-CD1 4.15Å; E284-F363 HydrophobicContact CB-CE1 4.03Å; E284-F363 HydrophobicContact CG-CE1 4.13Å; L294-F363 HydrophobicContact CD1-CE1 4.24Å; L305-F363 HydrophobicContact CD1-CE1 4.09Å; L305-F363 HydrophobicContact CD1-CZ 3.74Å; S347-F363 CarbonylContact C-O 3.53Å; S347-F363 WeakPolarHBondContact CA-O 3.14Å; S347-F363 WeakPolarHBondContact CB-O 3.4Å; F348-F363 HydrophobicContact CD1-CB 4.19Å; F348-F363 HydrophobicContact CD2-CB 4.44Å; F348-F363 HydrophobicContact CD2-CD2 4.25Å; F348-F363 HydrophobicContact CE1-CB 3.71Å; F348-F363 HydrophobicContact CE2-CB 3.98Å; F348-F363 AromaticContact CE2-CD2 3.6Å; F348-F363 HydrophobicContact CE2-CD2 3.6Å; F348-F363 HydrophobicContact CE2-CG 4.17Å; F348-F363 HydrophobicContact CZ-CB 3.6Å; F348-F363 AromaticContact CZ-CD2 3.93Å; F348-F363 HydrophobicContact CZ-CD2 3.93Å; F348-F363 HydrophobicContact CZ-CG 4.05Å; F348-F363 PolarHBondContact N-O 3.37Å; F348-F363 PolarHBondContact O-N 2.82Å; L350-F363 HydrophobicContact CB-CE2 4.3Å; L350-F363 HydrophobicContact CD1-CD2 4.26Å; L350-F363 HydrophobicContact CD1-CE2 3.88Å; L350-F363 HydrophobicContact CG-CD2 4.28Å; L350-F363 HydrophobicContact CG-CE2 4.16Å; H361-F363 HydrophobicContact CB-CD2 4.25Å; H361-F363 HydrophobicContact CB-CE1 4.35Å; H361-F363 HydrophobicContact CB-CE2 3.41Å; H361-F363 VanDerWaalsContact CB-CE2 3.41Å; H361-F363 HydrophobicContact CB-CZ 3.48Å; H361-F363 VanDerWaalsContact CB-CZ 3.48Å
364R90.9Very high88.1Confident17 Ų1758.1 Ų58.16%0.06431%0.308CS..EExtended strand (participates in β ladder)trans-99.2146.4169.2-177.1179.372.371.9-11.1110.2I283 E291 E345 L346 D366I283-R364 HydrophobicContact CB-CB 4.24Å; I283-R364 VanDerWaalsContact CD1-CZ 3.47Å; I283-R364 PolarHBondContact N-O 2.78Å; I283-R364 PolarHBondContact O-N 3.34Å; E291-R364 IonicContact OE1-NE 3.1Å; E291-R364 IonicContact OE2-CZ 3.39Å; E291-R364 IonicContact OE2-NE 3.47Å; E291-R364 PolarHBondContact OE2-NE 2.62Å; E291-R364 VanDerWaalsContact OE2-NE 3.14Å; E291-R364 IonicContact OE2-NH2 3.15Å; E291-R364 PolarHBondContact OE2-NH2 2.83Å; E345-R364 HydrophobicContact CG-CG 3.9Å; E345-R364 WeakPolarHBondContact OE1-CD 3.46Å; E345-R364 IonicContact OE1-NE 3.73Å; L346-R364 WeakPolarHBondContact O-CA 3.36Å; R364-D366 IonicContact CZ-OD1 3.68Å; R364-D366 IonicContact NH1-OD1 2.82Å; R364-D366 PolarHBondContact NH1-OD1 2.91Å
365V90.1Very high88.7Confident6 Ų657.2 Ų57.24%0.03630%0.302CS..  trans-125.5162.8171.9-64.50000110.1L282 L346 F348 E370 L371L282-V365 HydrophobicContact CD2-CG1 3.59Å; L346-V365 HydrophobicContact CB-CG2 3.96Å; L346-V365 PolarHBondContact O-N 2.87Å; F348-V365 HydrophobicContact CE1-CG1 4.03Å; V365-E370 HydrophobicContact CB-CB 4.05Å; V365-E370 HydrophobicContact CG1-CB 4.35Å; V365-E370 HydrophobicContact CG2-CB 4.39Å; V365-L371 HydrophobicContact CG2-CB 3.63Å; V365-L371 HydrophobicContact CG2-CD1 4.16Å; V365-L371 HydrophobicContact CG2-CG 4.45Å
366D84.4Confident89.8Confident46 Ų4652.8 Ų52.825%0.24629%0.285CS..SBendtrans-90.1-21.3-174.9-64.1-47.7000112.3R364 E370R364-D366 IonicContact CZ-OD1 3.68Å; R364-D366 IonicContact NH1-OD1 2.82Å; R364-D366 PolarHBondContact NH1-OD1 2.91Å; D366-E370 PolarHBondContact N-OE2 3.44Å
367T85.9Confident90.9Very high37 Ų3745.9 Ų45.923%0.22725%0.253CS..  trans-133.3151.2-178.670.20000114.1L346 K369 E370 L371L346-T367 VanDerWaalsContact CD1-C 3.4Å; T367-K369 PolarHBondContact O-N 3.22Å; T367-E370 PolarHBondContact N-OE2 2.99Å; T367-E370 PolarHBondContact O-N 3.47Å; T367-E370 WeakPolarHBondContact OG1-CB 3.45Å; T367-E370 VanDerWaalsContact OG1-CD 3.23Å; T367-E370 WeakPolarHBondContact OG1-CG 3.46Å; T367-E370 PolarHBondContact OG1-N 3.3Å; T367-E370 PolarHBondContact OG1-OE2 3.43Å; T367-L371 PolarHBondContact O-N 2.84Å
368A88.8Confident91.6Very high65 Ų6545.6 Ų45.654%0.53725%0.249SC..Hα-helixtrans-64.3-29.8176.700000112.2L346 L371 S372L346-A368 HydrophobicContact CD1-CB 4.23Å; L346-A368 VanDerWaalsContact CD1-N 3.3Å; A368-L371 PolarHBondContact O-N 3Å; A368-S372 WeakPolarHBondContact O-CB 3.47Å; A368-S372 PolarHBondContact O-N 3.46Å
369K90.3Very high92Very high169 Ų16946.1 Ų46.174%0.73525%0.253SS*.Hα-helixtrans-63.3-45.3173.8-176.4-177.9176.9-175.40111.2T367 T373T367-K369 PolarHBondContact O-N 3.22Å; K369-T373 WeakPolarHBondContact O-CB 3.36Å; K369-T373 PolarHBondContact O-N 3.33Å; K369-T373 PolarHBondContact O-OG1 2.89Å
370E91.2Very high92.2Very high58 Ų5845.5 Ų45.527%0.27125%0.25SC..Hα-helixtrans-64.7-42.5175.2-73.9162.4158.900111.3V365 D366 T367 S372 T373 W374V365-E370 HydrophobicContact CB-CB 4.05Å; V365-E370 HydrophobicContact CG1-CB 4.35Å; V365-E370 HydrophobicContact CG2-CB 4.39Å; D366-E370 PolarHBondContact N-OE2 3.44Å; T367-E370 PolarHBondContact N-OE2 2.99Å; T367-E370 PolarHBondContact O-N 3.47Å; T367-E370 WeakPolarHBondContact OG1-CB 3.45Å; T367-E370 VanDerWaalsContact OG1-CD 3.23Å; T367-E370 WeakPolarHBondContact OG1-CG 3.46Å; T367-E370 PolarHBondContact OG1-N 3.3Å; T367-E370 PolarHBondContact OG1-OE2 3.43Å; E370-S372 VanDerWaalsContact C-N 3.34Å; E370-S372 PolarHBondContact O-N 3.49Å; E370-T373 PolarHBondContact O-N 3.43Å; E370-W374 WeakPolarHBondContact O-CB 3.46Å; E370-W374 VanDerWaalsContact O-CD1 3.28Å; E370-W374 PolarHBondContact O-N 2.67Å
371L93.7Very high92.4Very high14 Ų1442.1 Ų42.17%0.07323%0.231CC..Hα-helixtrans-56.8-50.6177.2-177.561.1000110.9L346 F348 V365 T367 A368 T375L346-L371 HydrophobicContact CB-CD2 4.24Å; L346-L371 HydrophobicContact CD2-CD2 4.06Å; F348-L371 HydrophobicContact CB-CD1 4Å; F348-L371 HydrophobicContact CD1-CD1 3.79Å; F348-L371 HydrophobicContact CG-CD1 4.36Å; V365-L371 HydrophobicContact CG2-CB 3.63Å; V365-L371 HydrophobicContact CG2-CD1 4.16Å; V365-L371 HydrophobicContact CG2-CG 4.45Å; T367-L371 PolarHBondContact O-N 2.84Å; A368-L371 PolarHBondContact O-N 3Å; L371-T375 HydrophobicContact CD1-CG2 3.97Å; L371-T375 WeakPolarHBondContact O-CB 3.45Å; L371-T375 WeakPolarHBondContact O-CG2 3.49Å; L371-T375 PolarHBondContact O-N 3.42Å; L371-T375 PolarHBondContact O-OG1 3.44Å
372S94.3Very high92.6Very high75 Ų7542.1 Ų42.152%0.52423%0.232SC..Hα-helixtrans-60-47.1177.3-178.60000111.4A368 E370 T375 H376A368-S372 WeakPolarHBondContact O-CB 3.47Å; A368-S372 PolarHBondContact O-N 3.46Å; E370-S372 VanDerWaalsContact C-N 3.34Å; E370-S372 PolarHBondContact O-N 3.49Å; S372-T375 PolarHBondContact O-OG1 3.21Å; S372-H376 WeakPolarHBondContact O-CB 3.28Å; S372-H376 PolarHBondContact O-N 3.07Å
373T95.1Very high92.7Very high46 Ų4641.5 Ų41.528%0.28223%0.227SC..Hα-helixtrans-62.2-50.8-179-56.30000111.7K369 E370 L377K369-T373 WeakPolarHBondContact O-CB 3.36Å; K369-T373 PolarHBondContact O-N 3.33Å; K369-T373 PolarHBondContact O-OG1 2.89Å; E370-T373 PolarHBondContact O-N 3.43Å; T373-L377 HydrophobicContact CG2-CD1 3.67Å; T373-L377 HydrophobicContact CG2-CG 4.41Å; T373-L377 VanDerWaalsContact O-CB 3.32Å; T373-L377 WeakPolarHBondContact O-CB 3.28Å; T373-L377 WeakPolarHBondContact O-CG 3.41Å; T373-L377 PolarHBondContact O-N 3.09Å
374W96Very high92.8Very high3 Ų344.7 Ų44.71%0.01124%0.244CC..Hα-helixtrans-61.1-50.1179.7-85.5110000111.8H278 L282 A296 L298 L303 F348 E370 H376 L377 L378H278-W374 AromaticContact CD2-CD2 3.69Å; H278-W374 AromaticContact CD2-CE2 3.47Å; H278-W374 VanDerWaalsContact CD2-CE2 3.47Å; H278-W374 AromaticContact CD2-CE3 3.9Å; H278-W374 AromaticContact CD2-CH2 3.72Å; H278-W374 AromaticContact CD2-CZ2 3.51Å; H278-W374 AromaticContact CD2-CZ3 3.92Å; H278-W374 AromaticContact NE2-CE2 3.75Å; H278-W374 AromaticContact NE2-NE1 3.82Å; L282-W374 HydrophobicContact CD1-CZ2 4.43Å; L282-W374 HydrophobicContact CD2-CD2 4.11Å; L282-W374 HydrophobicContact CD2-CG 4.18Å; L282-W374 HydrophobicContact CD2-CZ2 4.27Å; L282-W374 HydrophobicContact CG-CZ2 4.21Å; A296-W374 HydrophobicContact CB-CH2 3.46Å; A296-W374 VanDerWaalsContact CB-CH2 3.46Å; A296-W374 HydrophobicContact CB-CZ2 3.93Å; A296-W374 HydrophobicContact CB-CZ3 4.19Å; L298-W374 HydrophobicContact CB-CZ3 4.1Å; L303-W374 HydrophobicContact CD1-CZ3 4.19Å; F348-W374 HydrophobicContact CE1-CB 4.04Å; F348-W374 HydrophobicContact CE1-CG 4.4Å; F348-W374 HydrophobicContact CZ-CB 4.2Å; F348-W374 HydrophobicContact CZ-CG 4.48Å; E370-W374 WeakPolarHBondContact O-CB 3.46Å; E370-W374 VanDerWaalsContact O-CD1 3.28Å; E370-W374 PolarHBondContact O-N 2.67Å; W374-H376 PolarHBondContact O-N 3.37Å; W374-L377 PolarHBondContact O-N 2.89Å; W374-L378 HydrophobicContact CE3-CD1 4.31Å; W374-L378 VanDerWaalsContact O-CB 3.24Å; W374-L378 WeakPolarHBondContact O-CB 3.26Å; W374-L378 VanDerWaalsContact O-CD1 3.31Å; W374-L378 WeakPolarHBondContact O-CD1 2.95Å; W374-L378 WeakPolarHBondContact O-CG 3.41Å; W374-L378 PolarHBondContact O-N 2.61Å
375T95.6Very high92.9Very high16 Ų1643.9 Ų43.910%0.09824%0.241CC..Hα-helixtrans-67.4-40.2-175.156.30000111.8L330 S333 F348 L371 S372 V379L330-T375 HydrophobicContact CD1-CG2 4.11Å; L330-T375 HydrophobicContact CD2-CG2 4.2Å; S333-T375 WeakPolarHBondContact OG-CG2 3.45Å; F348-T375 HydrophobicContact CB-CG2 3.66Å; F348-T375 HydrophobicContact CD1-CG2 4.19Å; F348-T375 HydrophobicContact CD2-CG2 4.45Å; F348-T375 HydrophobicContact CG-CG2 3.87Å; L371-T375 HydrophobicContact CD1-CG2 3.97Å; L371-T375 WeakPolarHBondContact O-CB 3.45Å; L371-T375 WeakPolarHBondContact O-CG2 3.49Å; L371-T375 PolarHBondContact O-N 3.42Å; L371-T375 PolarHBondContact O-OG1 3.44Å; S372-T375 PolarHBondContact O-OG1 3.21Å; T375-V379 WeakPolarHBondContact O-CG2 3.05Å; T375-V379 PolarHBondContact O-N 3.43Å; T375-V379 VanDerWaalsContact O-N 3.11Å
376H95.3Very high93.1Very high116 Ų11643.6 Ų43.654%0.53724%0.24SC..Hα-helixtrans-61.8-53173.6-178.8-83000111.7S372 W374 L378 V379 E380S372-H376 WeakPolarHBondContact O-CB 3.28Å; S372-H376 PolarHBondContact O-N 3.07Å; W374-H376 PolarHBondContact O-N 3.37Å; H376-L378 VanDerWaalsContact C-N 3.3Å; H376-L378 PolarHBondContact O-N 3.37Å; H376-V379 PolarHBondContact O-N 3.4Å; H376-E380 IonicContact CE1-OE2 3.53Å; H376-E380 PolarHBondContact CE1-OE2 3.03Å; H376-E380 VanDerWaalsContact CE1-OE2 3.29Å; H376-E380 IonicContact ND1-OE2 2.68Å; H376-E380 WeakPolarHBondContact O-CB 3.41Å; H376-E380 PolarHBondContact O-N 2.82Å
377L96.4Very high93.4Very high42 Ų4245.1 Ų45.122%0.2225%0.245CC..Hα-helixtrans-66.5-31.5-177.4-67.9175.6000112.5H278 L298 T373 W374 G381H278-L377 HydrophobicContact CB-CD1 3.7Å; L298-L377 HydrophobicContact CD2-CB 3.69Å; T373-L377 HydrophobicContact CG2-CD1 3.67Å; T373-L377 HydrophobicContact CG2-CG 4.41Å; T373-L377 VanDerWaalsContact O-CB 3.32Å; T373-L377 WeakPolarHBondContact O-CB 3.28Å; T373-L377 WeakPolarHBondContact O-CG 3.41Å; T373-L377 PolarHBondContact O-N 3.09Å; W374-L377 PolarHBondContact O-N 2.89Å; L377-G381 WeakPolarHBondContact O-CA 3.39Å; L377-G381 PolarHBondContact O-N 3.23Å
378L95.8Very high93.8Very high2 Ų247.7 Ų47.71%0.0126%0.257CS..Hα-helixtrans-66.5-48.1173.8-78.3162.1000111.3L298 L303 L325 F348 L350 W374 H376 G381 C382L298-L378 HydrophobicContact CD1-CD2 3.91Å; L303-L378 HydrophobicContact CD1-CD2 4.4Å; L303-L378 HydrophobicContact CD2-CD2 4.12Å; L325-L378 HydrophobicContact CD2-CD2 4.36Å; F348-L378 HydrophobicContact CD2-CD1 4.25Å; F348-L378 HydrophobicContact CE2-CD1 3.57Å; F348-L378 HydrophobicContact CZ-CD1 4.06Å; L350-L378 HydrophobicContact CD1-CD1 4.12Å; L350-L378 HydrophobicContact CD1-CD2 4.3Å; L350-L378 HydrophobicContact CD2-CD1 4.25Å; W374-L378 HydrophobicContact CE3-CD1 4.31Å; W374-L378 VanDerWaalsContact O-CB 3.24Å; W374-L378 WeakPolarHBondContact O-CB 3.26Å; W374-L378 VanDerWaalsContact O-CD1 3.31Å; W374-L378 WeakPolarHBondContact O-CD1 2.95Å; W374-L378 WeakPolarHBondContact O-CG 3.41Å; W374-L378 PolarHBondContact O-N 2.61Å; H376-L378 VanDerWaalsContact C-N 3.3Å; H376-L378 PolarHBondContact O-N 3.37Å; L378-G381 PolarHBondContact O-N 2.93Å; L378-C382 PolarHBondContact O-N 3.03Å; L378-C382 PolarHBondContact O-SG 3.18Å
379V93.7Very high94Very high56 Ų5647.9 Ų47.934%0.33925%0.248SC..Hα-helixtrans-63.2-45.7177.9170.60000110.8L330 T375 H376 C382 H383L330-V379 HydrophobicContact CB-CG2 4.09Å; L330-V379 HydrophobicContact CD2-CG2 3.67Å; T375-V379 WeakPolarHBondContact O-CG2 3.05Å; T375-V379 PolarHBondContact O-N 3.43Å; T375-V379 VanDerWaalsContact O-N 3.11Å; H376-V379 PolarHBondContact O-N 3.4Å; V379-C382 PolarHBondContact O-N 2.82Å; V379-H383 VanDerWaalsContact CG1-CE1 3.47Å; V379-H383 WeakPolarHBondContact CG1-CE1 3.14Å; V379-H383 PolarHBondContact O-N 3.31Å; V379-H383 VanDerWaalsContact O-N 3.17Å; V379-H383 PolarHBondContact O-ND1 2.98Å; V379-H383 VanDerWaalsContact O-ND1 3.15Å
380E94.1Very high94.2Very high64 Ų6445.5 Ų45.530%0.29924%0.238SC..Hα-helixtrans-60.7-45.2175.4-174.9176.8-165.700111.9H376 C382 H383 N384H376-E380 IonicContact CE1-OE2 3.53Å; H376-E380 PolarHBondContact CE1-OE2 3.03Å; H376-E380 VanDerWaalsContact CE1-OE2 3.29Å; H376-E380 IonicContact ND1-OE2 2.68Å; H376-E380 WeakPolarHBondContact O-CB 3.41Å; H376-E380 PolarHBondContact O-N 2.82Å; E380-C382 VanDerWaalsContact C-N 3.34Å; E380-C382 PolarHBondContact O-N 3.43Å; E380-H383 PolarHBondContact O-N 3.27Å; E380-N384 VanDerWaalsContact O-CG 3.24Å; E380-N384 PolarHBondContact O-N 3.5Å; E380-N384 PolarHBondContact O-OD1 2.87Å
381G94.8Very high94.3Very high9 Ų946 Ų469%0.09324%0.241CC..Hα-helixtrans-60.6-39.7176.700000113L377 L378 H383 N384 A385L377-G381 WeakPolarHBondContact O-CA 3.39Å; L377-G381 PolarHBondContact O-N 3.23Å; L378-G381 PolarHBondContact O-N 2.93Å; G381-H383 PolarHBondContact O-N 2.7Å; G381-N384 PolarHBondContact O-N 2.82Å; G381-A385 VanDerWaalsContact O-CB 3.24Å; G381-A385 WeakPolarHBondContact O-CB 3.14Å; G381-A385 PolarHBondContact O-N 2.8Å
382C94.1Very high94.4Very high13 Ų1346.9 Ų46.99%0.08825%0.246CC..Hα-helixtrans-62.7-41.9174.9-64.20000111.8L325 T328 L378 V379 E380 A386L325-C382 PolarHBondContact O-SG 3.03Å; L325-C382 VanDerWaalsContact O-SG 3.35Å; T328-C382 PolarHBondContact O-SG 2.93Å; T328-C382 VanDerWaalsContact O-SG 3.32Å; L378-C382 PolarHBondContact O-N 3.03Å; L378-C382 PolarHBondContact O-SG 3.18Å; V379-C382 PolarHBondContact O-N 2.82Å; E380-C382 VanDerWaalsContact C-N 3.34Å; E380-C382 PolarHBondContact O-N 3.43Å; C382-A386 WeakPolarHBondContact O-CB 3.44Å; C382-A386 PolarHBondContact O-N 3.18Å; C382-A386 VanDerWaalsContact O-N 3.09Å
383H93.7Very high94.3Very high16 Ų1646.8 Ų46.87%0.07424%0.243CC..Hα-helixtrans-66.1-46.4176-62.7142.4000112V379 E380 G381 A385 A386 E387 S477 A478 K481V379-H383 VanDerWaalsContact CG1-CE1 3.47Å; V379-H383 WeakPolarHBondContact CG1-CE1 3.14Å; V379-H383 PolarHBondContact O-N 3.31Å; V379-H383 VanDerWaalsContact O-N 3.17Å; V379-H383 PolarHBondContact O-ND1 2.98Å; V379-H383 VanDerWaalsContact O-ND1 3.15Å; E380-H383 PolarHBondContact O-N 3.27Å; G381-H383 PolarHBondContact O-N 2.7Å; H383-A385 VanDerWaalsContact C-N 3.32Å; H383-A385 PolarHBondContact O-N 2.99Å; H383-A386 WeakPolarHBondContact O-CB 3.5Å; H383-A386 PolarHBondContact O-N 2.85Å; H383-E387 PolarHBondContact O-N 2.99Å; H383-S477 PolarHBondContact NE2-OG 3.26Å; H383-A478 HydrophobicContact CB-CB 4.17Å; H383-A478 PolarHBondContact CD2-N 2.97Å; H383-K481 HydrophobicContact CB-CD 4.36Å; H383-K481 WeakPolarHBondContact ND1-CD 3.17Å
384N93.8Very high94.2Very high68 Ų6845.8 Ų45.836%0.36424%0.239SC..Hα-helixtrans-63.8-39.4179.1-65.5-8.6000111.4E380 G381 A386 E387 L388E380-N384 VanDerWaalsContact O-CG 3.24Å; E380-N384 PolarHBondContact O-N 3.5Å; E380-N384 PolarHBondContact O-OD1 2.87Å; G381-N384 PolarHBondContact O-N 2.82Å; N384-A386 VanDerWaalsContact C-N 3.32Å; N384-A386 PolarHBondContact O-N 2.86Å; N384-E387 PolarHBondContact O-N 2.79Å; N384-L388 WeakPolarHBondContact O-CB 3.22Å; N384-L388 PolarHBondContact O-N 2.8Å
385A94.3Very high94.1Very high0 Ų048.1 Ų48.10%026%0.259CS..Hα-helixtrans-62.7-39.3175.100000111.9L325 G381 H383 L388 I389L325-A385 HydrophobicContact CB-CB 3.78Å; G381-A385 VanDerWaalsContact O-CB 3.24Å; G381-A385 WeakPolarHBondContact O-CB 3.14Å; G381-A385 PolarHBondContact O-N 2.8Å; H383-A385 VanDerWaalsContact C-N 3.32Å; H383-A385 PolarHBondContact O-N 2.99Å; A385-L388 PolarHBondContact O-N 3.29Å; A385-I389 WeakPolarHBondContact O-CB 3.32Å; A385-I389 VanDerWaalsContact O-CG1 3.31Å; A385-I389 WeakPolarHBondContact O-CG1 3.23Å; A385-I389 PolarHBondContact O-N 3.46Å
386A93.7Very high94Very high0 Ų047.4 Ų47.40%025%0.254CS..Hα-helixtrans-63.3-44.417500000111.6C382 H383 N384 L388 I389 K390 F475 A478C382-A386 WeakPolarHBondContact O-CB 3.44Å; C382-A386 PolarHBondContact O-N 3.18Å; C382-A386 VanDerWaalsContact O-N 3.09Å; H383-A386 WeakPolarHBondContact O-CB 3.5Å; H383-A386 PolarHBondContact O-N 2.85Å; N384-A386 VanDerWaalsContact C-N 3.32Å; N384-A386 PolarHBondContact O-N 2.86Å; A386-L388 VanDerWaalsContact C-N 3.33Å; A386-L388 PolarHBondContact O-N 2.85Å; A386-I389 PolarHBondContact O-N 3.06Å; A386-K390 PolarHBondContact O-N 3.08Å; A386-F475 HydrophobicContact CB-CD1 3.8Å; A386-F475 HydrophobicContact CB-CE1 4.1Å; A386-F475 WeakPolarHBondContact O-CE1 3.44Å; A386-A478 HydrophobicContact CB-CB 3.97Å
387E92.1Very high94Very high79 Ų7942.9 Ų42.937%0.36924%0.236SC..Hα-helixtrans-66.9-32.8176.6-68.9-170.6163.500113.4H383 N384 K390 I409H383-E387 PolarHBondContact O-N 2.99Å; N384-E387 PolarHBondContact O-N 2.79Å; E387-K390 WeakPolarHBondContact O-CG 3.31Å; E387-I409 HydrophobicContact CG-CD1 4.21Å
388L92.7Very high93.8Very high91 Ų9143.5 Ų43.548%0.47624%0.235SC..Hα-helixtrans-72-42.3177.5-175.864.1000112K301 N384 A385 A386K301-L388 HydrophobicContact CD-CD2 4.39Å; K301-L388 VanDerWaalsContact CE-CD2 3.42Å; K301-L388 HydrophobicContact CG-CD2 4.06Å; N384-L388 WeakPolarHBondContact O-CB 3.22Å; N384-L388 PolarHBondContact O-N 2.8Å; A385-L388 PolarHBondContact O-N 3.29Å; A386-L388 VanDerWaalsContact C-N 3.33Å; A386-L388 PolarHBondContact O-N 2.85Å
389I94.1Very high93.5Very high68 Ų6849.9 Ų49.935%0.34927%0.269SS..Hα-helixtrans-76.7-37.7-176.5-70.6167.2000111.5I326 A385 A386 E391 V392I326-I389 HydrophobicContact CB-CD1 3.8Å; I326-I389 HydrophobicContact CD1-CB 3.88Å; I326-I389 HydrophobicContact CD1-CD1 3.62Å; I326-I389 HydrophobicContact CD1-CG1 4.34Å; I326-I389 HydrophobicContact CD1-CG2 3.8Å; I326-I389 HydrophobicContact CG1-CD1 4.28Å; I326-I389 HydrophobicContact CG2-CD1 3.7Å; A385-I389 WeakPolarHBondContact O-CB 3.32Å; A385-I389 VanDerWaalsContact O-CG1 3.31Å; A385-I389 WeakPolarHBondContact O-CG1 3.23Å; A385-I389 PolarHBondContact O-N 3.46Å; A386-I389 PolarHBondContact O-N 3.06Å; I389-E391 WeakPolarHBondContact CG2-O 3.22Å; I389-E391 PolarHBondContact O-N 2.54Å; I389-V392 HydrophobicContact CG2-CG2 3.78Å
390K93.5Very high93.2Very high119 Ų11950.6 Ų50.652%0.51729%0.289SS..  trans61.7-44-179.9-58.3-175.2178.1-176.90116.7A386 E387 H408 I409A386-K390 PolarHBondContact O-N 3.08Å; E387-K390 WeakPolarHBondContact O-CG 3.31Å; K390-H408 CarbonylContact O-C 3.55Å; K390-H408 VanDerWaalsContact O-CA 3.26Å; K390-H408 WeakPolarHBondContact O-CA 3.44Å; K390-I409 HydrophobicContact CB-CG2 4.41Å; K390-I409 PolarHBondContact O-N 3.22Å
391E94.6Very high93Very high70 Ų7054.9 Ų54.933%0.32731%0.306SS..EExtended strand (participates in β ladder)trans-139.9136.2-177.4-171.9177.2168.700111.3I389 T393 V407 H408I389-E391 WeakPolarHBondContact CG2-O 3.22Å; I389-E391 PolarHBondContact O-N 2.54Å; E391-T393 HydrophobicContact CG-CG2 4.47Å; E391-V407 CarbonylContact C-O 3.52Å; E391-V407 VanDerWaalsContact CA-O 3.29Å; E391-V407 WeakPolarHBondContact CA-O 3.44Å; E391-H408 HydrophobicContact CB-CB 4.19Å; E391-H408 HydrophobicContact CG-CB 4.04Å; E391-H408 IonicContact OE2-CD2 2.74Å
392V94.1Very high93Very high31 Ų3159.1 Ų59.119%0.18832%0.323CS..EExtended strand (participates in β ladder)trans-120.3137.1168.41770000108.7I326 I389 V407 L468 I471 F475I326-V392 HydrophobicContact CD1-CG2 3.94Å; I389-V392 HydrophobicContact CG2-CG2 3.78Å; V392-V407 PolarHBondContact N-O 2.97Å; V392-V407 PolarHBondContact O-N 3.07Å; V392-L468 HydrophobicContact CG1-CD1 4.4Å; V392-I471 HydrophobicContact CB-CD1 4.45Å; V392-I471 HydrophobicContact CB-CG2 4.16Å; V392-I471 HydrophobicContact CG1-CD1 3.96Å; V392-I471 HydrophobicContact CG2-CD1 4.25Å; V392-I471 HydrophobicContact CG2-CG2 3.88Å; V392-F475 HydrophobicContact CG2-CE2 4.39Å; V392-F475 HydrophobicContact CG2-CZ 4.16Å
393T93.9Very high93Very high74 Ų7458.9 Ų58.945%0.45432%0.322SS..EExtended strand (participates in β ladder)trans-114.2141176.254.40000110.9E391 L405 F416E391-T393 HydrophobicContact CG-CG2 4.47Å; T393-L405 CarbonylContact C-O 3.57Å; T393-L405 VanDerWaalsContact CA-O 3.26Å; T393-L405 WeakPolarHBondContact CA-O 3.39Å; T393-F416 HydrophobicContact CG2-CE1 4.46Å; T393-F416 HydrophobicContact CG2-CZ 4.22Å
394A92.8Very high93Very high24 Ų2460.8 Ų60.820%0.19833%0.331CS..EExtended strand (participates in β ladder)trans-133135.2175.600000109.9L405 L461 L468A394-L405 PolarHBondContact N-O 3.25Å; A394-L405 PolarHBondContact O-N 3.41Å; A394-L461 HydrophobicContact CB-CD2 4.46Å; A394-L468 HydrophobicContact CB-CD2 3.97Å
395A93.3Very high93.1Very high53 Ų5357.6 Ų57.644%0.43832%0.315SS..EExtended strand (participates in β ladder)trans-69.1137.3171.600000109.8M404A395-M404 VanDerWaalsContact CA-SD 3.56Å; A395-M404 HydrophobicContact CB-CE 4.46Å; A395-M404 HydrophobicContact CB-SD 3.83Å
396C94.3Very high93.1Very high0 Ų057.7 Ų57.70%032%0.315CS..EExtended strand (participates in β ladder)trans-153164.7-177.867.50000112.6C403 L459 D460 L461C396-C403 PolarHBondContact N-O 3.35Å; C396-C403 CarbonylContact O-C 3.55Å; C396-C403 PolarHBondContact O-N 2.97Å; C396-C403 PolarHBondContact SG-SG 3.2Å; C396-L459 HydrophobicContact CB-CB 4.5Å; C396-D460 CarbonylContact C-O 3.43Å; C396-D460 WeakPolarHBondContact CA-O 3.31Å; C396-L461 HydrophobicContact CB-CD2 3.55Å
397S94.5Very high93.2Very high21 Ų2157.7 Ų57.715%0.14732%0.315CS..EExtended strand (participates in β ladder)trans-111.5129.4168.7-158.10000109.6K401 E402 D460S397-K401 WeakPolarHBondContact CA-O 3.25Å; S397-K401 PolarHBondContact OG-O 3.38Å; S397-E402 WeakPolarHBondContact CB-OE1 3.31Å; S397-E402 PolarHBondContact OG-OE1 3.47Å; S397-D460 PolarHBondContact N-O 2.85Å; S397-D460 PolarHBondContact O-N 3.45Å
398W92.9Very high93.3Very high55 Ų5555.3 Ų55.321%0.20830%0.304CS..EExtended strand (participates in β ladder)trans-124.7122.9175.2-177.540.4000110G400 K401 L415 L427 L428 I457 L459W398-G400 PolarHBondContact O-N 2.99Å; W398-G400 VanDerWaalsContact O-N 3.16Å; W398-K401 PolarHBondContact N-O 3.17Å; W398-K401 PolarHBondContact O-N 3.38Å; W398-L415 HydrophobicContact CD2-CD1 3.76Å; W398-L415 HydrophobicContact CE3-CD1 3.65Å; W398-L415 HydrophobicContact CG-CD1 4.16Å; W398-L415 HydrophobicContact CZ3-CD1 4.1Å; W398-L427 HydrophobicContact CE3-CB 4.19Å; W398-L427 HydrophobicContact CE3-CD1 4.18Å; W398-L427 HydrophobicContact CZ3-CB 3.79Å; W398-L428 HydrophobicContact CH2-CB 4.25Å; W398-L428 HydrophobicContact CZ3-CB 4.22Å; W398-I457 HydrophobicContact CD2-CG2 4.37Å; W398-I457 HydrophobicContact CG-CG2 4.34Å; W398-I457 HydrophobicContact CZ2-CG2 4.2Å; W398-L459 HydrophobicContact CB-CD2 3.76Å; W398-L459 HydrophobicContact CG-CD2 3.95Å
399N89.2Confident93.3Very high136 Ų13651.1 Ų51.173%0.72728%0.282SS*.THydrogen-bonded Turntrans50.737-176.2-63.9-17.4000113.4K401N399-K401 VanDerWaalsContact C-N 3.29Å; N399-K401 PolarHBondContact O-N 2.98Å
400G87.3Confident93.2Very high72 Ų7251 Ų5174%0.74228%0.282SS*.THydrogen-bonded Turntrans77.55.2-179.600000115.3W398W398-G400 PolarHBondContact O-N 2.99Å; W398-G400 VanDerWaalsContact O-N 3.16Å
401K90.3Very high93.1Very high153 Ų15349.7 Ų49.767%0.66528%0.281SS*.EExtended strand (participates in β ladder)trans-104.9133174.3-64.8-176.9179.9-179.50110.4S397 W398 N399S397-K401 WeakPolarHBondContact CA-O 3.25Å; S397-K401 PolarHBondContact OG-O 3.38Å; W398-K401 PolarHBondContact N-O 3.17Å; W398-K401 PolarHBondContact O-N 3.38Å; N399-K401 VanDerWaalsContact C-N 3.29Å; N399-K401 PolarHBondContact O-N 2.98Å
402E93.8Very high93.1Very high98 Ų9846.4 Ų46.446%0.45827%0.265SS..EExtended strand (participates in β ladder)trans-68.1131172-64.9-57.3113.200110.7S397 T417 R462S397-E402 WeakPolarHBondContact CB-OE1 3.31Å; S397-E402 PolarHBondContact OG-OE1 3.47Å; E402-T417 WeakPolarHBondContact O-CG2 3.42Å; E402-R462 IonicContact OE1-CZ 3.59Å; E402-R462 IonicContact OE1-NE 2.87Å; E402-R462 IonicContact OE1-NH2 3.35Å; E402-R462 PolarHBondContact OE1-NH2 3.21Å; E402-R462 IonicContact OE2-CZ 3.76Å; E402-R462 IonicContact OE2-NE 3.7Å; E402-R462 PolarHBondContact OE2-NE 2.95Å; E402-R462 VanDerWaalsContact OE2-NE 3.16Å; E402-R462 IonicContact OE2-NH2 3.74Å; E402-R462 PolarHBondContact OE2-NH2 3.42Å
403C94Very high93.1Very high8 Ų845.1 Ų45.15%0.05426%0.257CS..EExtended strand (participates in β ladder)trans-153.6177.7178.161.40000111.2C396 F416 T417 L427C396-C403 PolarHBondContact N-O 3.35Å; C396-C403 CarbonylContact O-C 3.55Å; C396-C403 PolarHBondContact O-N 2.97Å; C396-C403 PolarHBondContact SG-SG 3.2Å; C403-F416 WeakPolarHBondContact CB-O 3.42Å; C403-T417 HydrophobicContact CB-CG2 3.92Å; C403-L427 HydrophobicContact CB-CD1 3.79Å
404M94.3Very high93.1Very high56 Ų5642.5 Ų42.528%0.27624%0.241SC..EExtended strand (participates in β ladder)trans-113.5133.8175.9-63.3-63.6-65.100109.2A395 L415 F416A395-M404 VanDerWaalsContact CA-SD 3.56Å; A395-M404 HydrophobicContact CB-CE 4.46Å; A395-M404 HydrophobicContact CB-SD 3.83Å; M404-L415 WeakPolarHBondContact O-CA 3.35Å; M404-F416 HydrophobicContact CB-CD1 4.26Å; M404-F416 HydrophobicContact CB-CD2 4.15Å; M404-F416 HydrophobicContact CB-CE1 3.82Å; M404-F416 HydrophobicContact CB-CE2 3.7Å; M404-F416 HydrophobicContact CB-CG 4.42Å; M404-F416 HydrophobicContact CB-CZ 3.52Å; M404-F416 HydrophobicContact CG-CE2 4.1Å; M404-F416 HydrophobicContact CG-CZ 4.25Å; M404-F416 PolarHBondContact N-O 3.03Å; M404-F416 PolarHBondContact O-N 2.79Å
405L94.7Very high93.2Very high2 Ų241.5 Ų41.51%0.0123%0.232CC..EExtended strand (participates in β ladder)trans-94.5113166175.162.6000108.9T393 A394 V407 F413 L415 M446 L448 L459 L468T393-L405 CarbonylContact C-O 3.57Å; T393-L405 VanDerWaalsContact CA-O 3.26Å; T393-L405 WeakPolarHBondContact CA-O 3.39Å; A394-L405 PolarHBondContact N-O 3.25Å; A394-L405 PolarHBondContact O-N 3.41Å; L405-V407 HydrophobicContact CD1-CG2 4.49Å; L405-V407 HydrophobicContact CD2-CG2 4.23Å; L405-V407 HydrophobicContact CG-CG2 4.08Å; L405-F413 HydrophobicContact CD1-CB 4.46Å; L405-F413 HydrophobicContact CD1-CD1 4.36Å; L405-L415 HydrophobicContact CB-CD2 3.86Å; L405-L415 HydrophobicContact CD1-CD2 3.84Å; L405-L415 HydrophobicContact CD1-CG 4.27Å; L405-L415 HydrophobicContact CG-CD2 4.43Å; L405-M446 HydrophobicContact CD2-SD 4.42Å; L405-L448 HydrophobicContact CD2-CD1 4.46Å; L405-L459 HydrophobicContact CD1-CD1 4.39Å; L405-L459 HydrophobicContact CD2-CD1 3.64Å; L405-L459 HydrophobicContact CG-CD1 4.41Å; L405-L468 HydrophobicContact CD2-CD2 3.67Å
406G94.8Very high93.2Very high1 Ų139.6 Ų39.61%0.0121%0.214CC..EExtended strand (participates in β ladder)trans-93128.8165.300000110.7F413 T414G406-F413 CarbonylContact O-C 3.59Å; G406-F413 WeakPolarHBondContact O-CA 3.48Å; G406-T414 PolarHBondContact N-O 2.86Å; G406-T414 PolarHBondContact O-N 2.97Å
407V95.4Very high93.1Very high0 Ų041.1 Ų41.10%022%0.224CC..EExtended strand (participates in β ladder)trans-115.2108.4171.5-173.20000107.4E391 V392 L405 F413 F432 L468 I472 F475E391-V407 CarbonylContact C-O 3.52Å; E391-V407 VanDerWaalsContact CA-O 3.29Å; E391-V407 WeakPolarHBondContact CA-O 3.44Å; V392-V407 PolarHBondContact N-O 2.97Å; V392-V407 PolarHBondContact O-N 3.07Å; L405-V407 HydrophobicContact CD1-CG2 4.49Å; L405-V407 HydrophobicContact CD2-CG2 4.23Å; L405-V407 HydrophobicContact CG-CG2 4.08Å; V407-F413 HydrophobicContact CG1-CD1 4.36Å; V407-F413 HydrophobicContact CG1-CE1 4.02Å; V407-F413 HydrophobicContact CG2-CD1 3.99Å; V407-F413 HydrophobicContact CG2-CE1 4.07Å; V407-F432 HydrophobicContact CG1-CE2 4.5Å; V407-F432 HydrophobicContact CG1-CZ 3.82Å; V407-L468 HydrophobicContact CG2-CD1 4.13Å; V407-I472 HydrophobicContact CG1-CG1 3.9Å; V407-I472 HydrophobicContact CG2-CG1 4.38Å; V407-F475 HydrophobicContact CB-CE2 4.28Å; V407-F475 HydrophobicContact CG1-CD2 3.7Å; V407-F475 HydrophobicContact CG1-CE2 3.94Å; V407-F475 VanDerWaalsContact O-CE2 3.26Å; V407-F475 WeakPolarHBondContact O-CE2 3.41Å
408H95.2Very high92.6Very high29 Ų2944.5 Ų44.513%0.13424%0.24CC..EExtended strand (participates in β ladder)trans-113.2131-177.9-176.3-61.5000110.6K390 E391 D410 N411 G412 F432K390-H408 CarbonylContact O-C 3.55Å; K390-H408 VanDerWaalsContact O-CA 3.26Å; K390-H408 WeakPolarHBondContact O-CA 3.44Å; E391-H408 HydrophobicContact CB-CB 4.19Å; E391-H408 HydrophobicContact CG-CB 4.04Å; E391-H408 IonicContact OE2-CD2 2.74Å; H408-D410 VanDerWaalsContact C-N 3.3Å; H408-D410 IonicContact CE1-OD2 3.55Å; H408-D410 PolarHBondContact ND1-N 2.77Å; H408-D410 PolarHBondContact O-N 3.43Å; H408-D410 VanDerWaalsContact O-N 3.14Å; H408-N411 HydrophobicContact CB-CB 4.07Å; H408-N411 PolarHBondContact ND1-N 3.02Å; H408-N411 PolarHBondContact O-N 3.01Å; H408-G412 PolarHBondContact N-O 2.89Å; H408-G412 WeakPolarHBondContact O-CA 3.47Å; H408-G412 PolarHBondContact O-N 2.95Å; H408-F432 VanDerWaalsContact O-CE2 3.23Å; H408-F432 WeakPolarHBondContact O-CE2 3.34Å
409I92.9Very high91.7Very high3 Ų347 Ų472%0.01525%0.254CS..THydrogen-bonded Turntrans-50.3-43.4-175-166.2172000113.8E387 K390 F432 F475 A478E387-I409 HydrophobicContact CG-CD1 4.21Å; K390-I409 HydrophobicContact CB-CG2 4.41Å; K390-I409 PolarHBondContact O-N 3.22Å; I409-F432 WeakPolarHBondContact O-CD2 3.43Å; I409-F475 HydrophobicContact CB-CD1 3.64Å; I409-F475 HydrophobicContact CB-CE1 4.05Å; I409-F475 HydrophobicContact CB-CG 4.19Å; I409-F475 HydrophobicContact CD1-CD1 4.02Å; I409-F475 HydrophobicContact CG1-CB 4.24Å; I409-F475 HydrophobicContact CG1-CD1 3.84Å; I409-F475 HydrophobicContact CG1-CG 4.35Å; I409-A478 HydrophobicContact CD1-CB 4.13Å
410D92Very high90.7Very high65 Ų6549.5 Ų49.535%0.34826%0.264SS..THydrogen-bonded Turntrans-88.4-50.5176.7-57.5-52.3000113.9H408 G412 R482H408-D410 VanDerWaalsContact C-N 3.3Å; H408-D410 IonicContact CE1-OD2 3.55Å; H408-D410 PolarHBondContact ND1-N 2.77Å; H408-D410 PolarHBondContact O-N 3.43Å; H408-D410 VanDerWaalsContact O-N 3.14Å; D410-G412 VanDerWaalsContact C-N 3.33Å; D410-G412 PolarHBondContact O-N 2.71Å; D410-R482 IonicContact OD1-CZ 3.9Å; D410-R482 IonicContact OD1-NH1 2.9Å; D410-R482 PolarHBondContact OD1-NH1 3.19Å; D410-R482 IonicContact OD1-NH2 2.76Å; D410-R482 PolarHBondContact OD1-NH2 3.12Å; D410-R482 IonicContact OD2-NH1 2.81Å
411N91.5Very high89.7Confident93 Ų9348.8 Ų48.850%0.49726%0.256SS..THydrogen-bonded Turntrans-80.5-8-171.6-59-28.5000114.5H408H408-N411 HydrophobicContact CB-CB 4.07Å; H408-N411 PolarHBondContact ND1-N 3.02Å; H408-N411 PolarHBondContact O-N 3.01Å
412G93.4Very high88.4Confident0 Ų048 Ų480%026%0.264CS..EExtended strand (participates in β ladder)trans75.9-135.2-178.700000113.1H408 D410 Q430H408-G412 PolarHBondContact N-O 2.89Å; H408-G412 WeakPolarHBondContact O-CA 3.47Å; H408-G412 PolarHBondContact O-N 2.95Å; D410-G412 VanDerWaalsContact C-N 3.33Å; D410-G412 PolarHBondContact O-N 2.71Å; G412-Q430 CarbonylContact C-O 3.57Å
413F94.9Very high87.5Confident4 Ų452.9 Ų52.92%0.01828%0.278CS..EExtended strand (participates in β ladder)trans-100.4130.2-172.3-57.8-91.4000110.3L405 G406 V407 Q429 Q430 F432 L435 L448 F450 I472L405-F413 HydrophobicContact CD1-CB 4.46Å; L405-F413 HydrophobicContact CD1-CD1 4.36Å; G406-F413 CarbonylContact O-C 3.59Å; G406-F413 WeakPolarHBondContact O-CA 3.48Å; V407-F413 HydrophobicContact CG1-CD1 4.36Å; V407-F413 HydrophobicContact CG1-CE1 4.02Å; V407-F413 HydrophobicContact CG2-CD1 3.99Å; V407-F413 HydrophobicContact CG2-CE1 4.07Å; F413-Q429 CarbonylContact O-C 3.58Å; F413-Q429 VanDerWaalsContact O-CA 3.3Å; F413-Q429 WeakPolarHBondContact O-CA 3.21Å; F413-Q430 PolarHBondContact N-O 2.9Å; F413-Q430 PolarHBondContact O-N 2.89Å; F413-F432 AromaticContact CE2-CD1 3.76Å; F413-F432 HydrophobicContact CE2-CD1 3.76Å; F413-F432 AromaticContact CE2-CE1 3.89Å; F413-F432 HydrophobicContact CE2-CE1 3.89Å; F413-F432 HydrophobicContact CE2-CG 4.3Å; F413-F432 HydrophobicContact CZ-CD1 4.07Å; F413-F432 AromaticContact CZ-CE1 3.75Å; F413-F432 HydrophobicContact CZ-CE1 3.75Å; F413-F432 HydrophobicContact CZ-CZ 4.35Å; F413-L435 HydrophobicContact CE2-CB 4.19Å; F413-L435 HydrophobicContact CE2-CD1 4.39Å; F413-L435 HydrophobicContact CE2-CD2 4.01Å; F413-L435 HydrophobicContact CE2-CG 4.43Å; F413-L435 HydrophobicContact CZ-CD1 4.41Å; F413-L435 HydrophobicContact CZ-CD2 3.76Å; F413-L448 HydrophobicContact CD1-CD1 3.94Å; F413-L448 HydrophobicContact CE1-CD1 4.14Å; F413-L448 HydrophobicContact CE1-CD2 4.39Å; F413-F450 HydrophobicContact CB-CZ 4.09Å; F413-F450 HydrophobicContact CD1-CZ 4.39Å; F413-F450 AromaticContact CD2-CE1 3.56Å; F413-F450 HydrophobicContact CD2-CE1 3.56Å; F413-F450 AromaticContact CD2-CZ 3.55Å; F413-F450 HydrophobicContact CD2-CZ 3.55Å; F413-F450 HydrophobicContact CE2-CE1 4Å; F413-F450 HydrophobicContact CE2-CZ 4.09Å; F413-F450 HydrophobicContact CG-CE1 4.21Å; F413-F450 AromaticContact CG-CZ 3.74Å; F413-F450 HydrophobicContact CG-CZ 3.74Å; F413-I472 HydrophobicContact CE1-CD1 3.65Å; F413-I472 HydrophobicContact CE1-CG1 3.84Å; F413-I472 HydrophobicContact CZ-CD1 4.19Å; F413-I472 HydrophobicContact CZ-CG1 4.13Å; F413-I472 HydrophobicContact CZ-CG2 4.11Å
414T94.7Very high87.1Confident19 Ų1958.5 Ų58.512%0.11730%0.302CS..EExtended strand (participates in β ladder)trans-131.1119.3174.3-52.60000109.3G406 F416 I426 L428G406-T414 PolarHBondContact N-O 2.86Å; G406-T414 PolarHBondContact O-N 2.97Å; T414-F416 HydrophobicContact CG2-CD1 4.14Å; T414-I426 HydrophobicContact CG2-CG1 4.24Å; T414-I426 HydrophobicContact CG2-CG2 3.98Å; T414-L428 CarbonylContact C-O 3.59Å; T414-L428 WeakPolarHBondContact CA-O 3.31Å
415L94.1Very high86.9Confident3 Ų359.3 Ų59.32%0.01631%0.307CS..EExtended strand (participates in β ladder)trans-92.5128.7165.7-69.1169.1000108.4W398 M404 L405 L427 L428 I457 L459W398-L415 HydrophobicContact CD2-CD1 3.76Å; W398-L415 HydrophobicContact CE3-CD1 3.65Å; W398-L415 HydrophobicContact CG-CD1 4.16Å; W398-L415 HydrophobicContact CZ3-CD1 4.1Å; M404-L415 WeakPolarHBondContact O-CA 3.35Å; L405-L415 HydrophobicContact CB-CD2 3.86Å; L405-L415 HydrophobicContact CD1-CD2 3.84Å; L405-L415 HydrophobicContact CD1-CG 4.27Å; L405-L415 HydrophobicContact CG-CD2 4.43Å; L415-L427 HydrophobicContact CB-CB 4.23Å; L415-L427 PolarHBondContact O-N 2.87Å; L415-L428 HydrophobicContact CB-CB 4.01Å; L415-L428 HydrophobicContact CD1-CB 4.03Å; L415-L428 HydrophobicContact CD1-CD2 3.93Å; L415-L428 HydrophobicContact CG-CB 4.36Å; L415-L428 PolarHBondContact N-O 2.79Å; L415-L428 PolarHBondContact O-N 2.71Å; L415-I457 HydrophobicContact CD1-CG2 4.25Å; L415-L459 HydrophobicContact CD1-CD2 4Å; L415-L459 HydrophobicContact CD2-CD1 4.24Å; L415-L459 HydrophobicContact CD2-CD2 3.89Å
416F93.8Very high86.7Confident14 Ų1463.5 Ų63.56%0.06133%0.329CS..EExtended strand (participates in β ladder)trans-147.1154.8-179.763.3-84.8000112.2T393 C403 M404 T414 K424 N425T393-F416 HydrophobicContact CG2-CE1 4.46Å; T393-F416 HydrophobicContact CG2-CZ 4.22Å; C403-F416 WeakPolarHBondContact CB-O 3.42Å; M404-F416 HydrophobicContact CB-CD1 4.26Å; M404-F416 HydrophobicContact CB-CD2 4.15Å; M404-F416 HydrophobicContact CB-CE1 3.82Å; M404-F416 HydrophobicContact CB-CE2 3.7Å; M404-F416 HydrophobicContact CB-CG 4.42Å; M404-F416 HydrophobicContact CB-CZ 3.52Å; M404-F416 HydrophobicContact CG-CE2 4.1Å; M404-F416 HydrophobicContact CG-CZ 4.25Å; M404-F416 PolarHBondContact N-O 3.03Å; M404-F416 PolarHBondContact O-N 2.79Å; T414-F416 HydrophobicContact CG2-CD1 4.14Å; F416-K424 HydrophobicContact CD2-CB 4.23Å; F416-K424 HydrophobicContact CD2-CD 4.06Å; F416-K424 HydrophobicContact CD2-CG 3.95Å; F416-K424 HydrophobicContact CE2-CD 4.07Å; F416-K424 HydrophobicContact CE2-CG 4.21Å; F416-K424 HydrophobicContact CG-CD 4.48Å; F416-N425 CarbonylContact C-O 3.59Å; F416-N425 WeakPolarHBondContact CA-O 3.19Å; F416-N425 WeakPolarHBondContact CB-O 3.4Å
417T92.1Very high86.6Confident31 Ų3166.5 Ų66.519%0.1934%0.344CS..EExtended strand (participates in β ladder)trans-105.2149.4164.754.70000109.6E402 C403 N425 L427E402-T417 WeakPolarHBondContact O-CG2 3.42Å; C403-T417 HydrophobicContact CB-CG2 3.92Å; T417-N425 PolarHBondContact N-O 3.37Å; T417-N425 PolarHBondContact O-N 3.18Å; T417-L427 HydrophobicContact CG2-CD1 3.99Å; T417-L427 HydrophobicContact CG2-CG 4.45Å
418D83.8Confident86.3Confident93 Ų9368.5 Ų68.550%0.49736%0.355SS..EExtended strand (participates in β ladder)trans-98.5111.7173.4-167.60.7000108.8G421D418-G421 WeakPolarHBondContact OD1-CA 3.44Å; D418-G421 PolarHBondContact OD1-N 2.71Å; D418-G421 VanDerWaalsContact OD1-N 3.16Å
419E73.8Confident86.2Confident106 Ų10672.2 Ų72.250%0.49537%0.372SS..EExtended strand (participates in β ladder)trans-95.8112.6173.7-74.8177.7-158.300108.9G421 R423 N425E419-G421 PolarHBondContact O-N 2.94Å; E419-G421 VanDerWaalsContact O-N 3.11Å; E419-R423 PolarHBondContact N-O 2.92Å; E419-R423 PolarHBondContact O-N 2.96Å; E419-N425 PolarHBondContact OE1-ND2 2.93Å; E419-N425 VanDerWaalsContact OE1-ND2 3.09Å
420M68.5Low86.2Confident190 Ų19073.6 Ų73.694%0.93638%0.379SS*.THydrogen-bonded Turntrans57.522.7175.8-54-179.373.600115V422M420-V422 VanDerWaalsContact C-N 3.27Å; M420-V422 PolarHBondContact O-N 3.25Å
421G65Low86.2Confident57 Ų5773 Ų7359%0.58838%0.378SS*.THydrogen-bonded Turntrans76.47.2172.400000115.2D418 E419D418-G421 WeakPolarHBondContact OD1-CA 3.44Å; D418-G421 PolarHBondContact OD1-N 2.71Å; D418-G421 VanDerWaalsContact OD1-N 3.16Å; E419-G421 PolarHBondContact O-N 2.94Å; E419-G421 VanDerWaalsContact O-N 3.11Å
422V64.2Low86.1Confident137 Ų13768.8 Ų68.883%0.8336%0.356SS*.THydrogen-bonded Turntrans-127-29.6-173.5-173.80000112.5M420M420-V422 VanDerWaalsContact C-N 3.27Å; M420-V422 PolarHBondContact O-N 3.25Å
423R74.8Confident85.8Confident200 Ų20075 Ų7576%0.75539%0.385SS*.EExtended strand (participates in β ladder)trans-124.9115-175-156.9173.6-174.7166.80.6111.4E419 N425E419-R423 PolarHBondContact N-O 2.92Å; E419-R423 PolarHBondContact O-N 2.96Å; R423-N425 PolarHBondContact O-N 3.29Å
424K84.4Confident85.6Confident125 Ų12581.2 Ų81.254%0.54341%0.408SS..EExtended strand (participates in β ladder)trans-74.4114.6169.9-66.2-173.3178.7-174.70109.2F416F416-K424 HydrophobicContact CD2-CB 4.23Å; F416-K424 HydrophobicContact CD2-CD 4.06Å; F416-K424 HydrophobicContact CD2-CG 3.95Å; F416-K424 HydrophobicContact CE2-CD 4.07Å; F416-K424 HydrophobicContact CE2-CG 4.21Å; F416-K424 HydrophobicContact CG-CD 4.48Å
425N90.1Very high85.4Confident73 Ų7381.8 Ų81.839%0.3941%0.41SS..EExtended strand (participates in β ladder)trans-92.4107.6171.7-171.3-8000108.6F416 T417 E419 R423 L427F416-N425 CarbonylContact C-O 3.59Å; F416-N425 WeakPolarHBondContact CA-O 3.19Å; F416-N425 WeakPolarHBondContact CB-O 3.4Å; T417-N425 PolarHBondContact N-O 3.37Å; T417-N425 PolarHBondContact O-N 3.18Å; E419-N425 PolarHBondContact OE1-ND2 2.93Å; E419-N425 VanDerWaalsContact OE1-ND2 3.09Å; R423-N425 PolarHBondContact O-N 3.29Å; N425-L427 PolarHBondContact O-N 3.41Å
426I92.3Very high85.1Confident91 Ų9190.8 Ų90.847%0.46744%0.444SS..EExtended strand (participates in β ladder)trans-79.3118.1-174.4-59.9174.1000109.1T414 Q429T414-I426 HydrophobicContact CG2-CG1 4.24Å; T414-I426 HydrophobicContact CG2-CG2 3.98Å; I426-Q429 HydrophobicContact CG2-CB 4.26Å
427L91Very high84.8Confident64 Ų6495 Ų9534%0.33547%0.465SS..EExtended strand (participates in β ladder)trans-88.7-35.2176.9-53.3179.7000112W398 C403 L415 T417 N425W398-L427 HydrophobicContact CE3-CB 4.19Å; W398-L427 HydrophobicContact CE3-CD1 4.18Å; W398-L427 HydrophobicContact CZ3-CB 3.79Å; C403-L427 HydrophobicContact CB-CD1 3.79Å; L415-L427 HydrophobicContact CB-CB 4.23Å; L415-L427 PolarHBondContact O-N 2.87Å; T417-L427 HydrophobicContact CG2-CD1 3.99Å; T417-L427 HydrophobicContact CG2-CG 4.45Å; N425-L427 PolarHBondContact O-N 3.41Å
428L90.3Very high84.7Confident41 Ų4194.7 Ų94.722%0.21546%0.464CS..EExtended strand (participates in β ladder)trans-153.9142.9179-174.876.8000109.6W398 T414 L415 Q430 I457W398-L428 HydrophobicContact CH2-CB 4.25Å; W398-L428 HydrophobicContact CZ3-CB 4.22Å; T414-L428 CarbonylContact C-O 3.59Å; T414-L428 WeakPolarHBondContact CA-O 3.31Å; L415-L428 HydrophobicContact CB-CB 4.01Å; L415-L428 HydrophobicContact CD1-CB 4.03Å; L415-L428 HydrophobicContact CD1-CD2 3.93Å; L415-L428 HydrophobicContact CG-CB 4.36Å; L415-L428 PolarHBondContact N-O 2.79Å; L415-L428 PolarHBondContact O-N 2.71Å; L428-Q430 HydrophobicContact CD1-CG 4.36Å; L428-Q430 HydrophobicContact CD2-CG 4.17Å; L428-Q430 HydrophobicContact CG-CG 4.16Å; L428-I457 HydrophobicContact CD2-CD1 3.19Å; L428-I457 HydrophobicContact CD2-CG1 4.19Å
429Q92.7Very high85Confident107 Ų10792 Ų9250%0.545%0.453SS..EExtended strand (participates in β ladder)trans-136.2129.5167.7-167.4172.529.300110F413 I426F413-Q429 CarbonylContact O-C 3.58Å; F413-Q429 VanDerWaalsContact O-CA 3.3Å; F413-Q429 WeakPolarHBondContact O-CA 3.21Å; I426-Q429 HydrophobicContact CG2-CB 4.26Å
430Q92.9Very high85.8Confident33 Ų3388.8 Ų88.815%0.15444%0.439CS..EExtended strand (participates in β ladder)trans-139130.7178.7-67.2-65.2-16.200110.4G412 F413 L428 F450G412-Q430 CarbonylContact C-O 3.57Å; F413-Q430 PolarHBondContact N-O 2.9Å; F413-Q430 PolarHBondContact O-N 2.89Å; L428-Q430 HydrophobicContact CD1-CG 4.36Å; L428-Q430 HydrophobicContact CD2-CG 4.17Å; L428-Q430 HydrophobicContact CG-CG 4.16Å; Q430-F450 HydrophobicContact CB-CD1 3.53Å; Q430-F450 HydrophobicContact CB-CD2 4.46Å; Q430-F450 HydrophobicContact CB-CE1 3.4Å; Q430-F450 VanDerWaalsContact CB-CE1 3.4Å; Q430-F450 HydrophobicContact CB-CE2 4.38Å; Q430-F450 HydrophobicContact CB-CG 4.07Å; Q430-F450 HydrophobicContact CB-CZ 3.86Å; Q430-F450 HydrophobicContact CG-CB 4.48Å; Q430-F450 HydrophobicContact CG-CD1 3.89Å; Q430-F450 HydrophobicContact CG-CD2 4.13Å; Q430-F450 HydrophobicContact CG-CE1 4.11Å; Q430-F450 HydrophobicContact CG-CE2 4.36Å; Q430-F450 HydrophobicContact CG-CG 3.88Å; Q430-F450 HydrophobicContact CG-CZ 4.34Å
431P91.6Very high86.8Confident52 Ų5283 Ų8334%0.33841%0.412SS..  trans-73.9161.5176.934.3-37.9000111.6E433 R434P431-E433 WeakPolarHBondContact CB-OE2 3.43Å; P431-E433 PolarHBondContact O-N 2.79Å; P431-R434 HydrophobicContact CG-CB 4.36Å; P431-R434 HydrophobicContact CG-CG 3.87Å; P431-R434 PolarHBondContact O-N 2.86Å
432F89.6Confident87.6Confident5 Ų582.1 Ų82.12%0.02240%0.402CS..G310 helixtrans-58.7-34.6178.5-94.2-72000113V407 H408 I409 F413 R434 L435 I472 F475 L476V407-F432 HydrophobicContact CG1-CE2 4.5Å; V407-F432 HydrophobicContact CG1-CZ 3.82Å; H408-F432 VanDerWaalsContact O-CE2 3.23Å; H408-F432 WeakPolarHBondContact O-CE2 3.34Å; I409-F432 WeakPolarHBondContact O-CD2 3.43Å; F413-F432 AromaticContact CE2-CD1 3.76Å; F413-F432 HydrophobicContact CE2-CD1 3.76Å; F413-F432 AromaticContact CE2-CE1 3.89Å; F413-F432 HydrophobicContact CE2-CE1 3.89Å; F413-F432 HydrophobicContact CE2-CG 4.3Å; F413-F432 HydrophobicContact CZ-CD1 4.07Å; F413-F432 AromaticContact CZ-CE1 3.75Å; F413-F432 HydrophobicContact CZ-CE1 3.75Å; F413-F432 HydrophobicContact CZ-CZ 4.35Å; F432-R434 PolarHBondContact O-N 3.17Å; F432-L435 WeakPolarHBondContact O-CB 3.29Å; F432-L435 PolarHBondContact O-N 3.28Å; F432-I472 HydrophobicContact CE1-CG2 4.15Å; F432-F475 HydrophobicContact CE1-CB 4.41Å; F432-F475 HydrophobicContact CE2-CB 4.15Å; F432-F475 HydrophobicContact CZ-CB 3.64Å; F432-F475 HydrophobicContact CZ-CD2 4.18Å; F432-F475 HydrophobicContact CZ-CG 4.32Å; F432-L476 HydrophobicContact CB-CD1 4.33Å; F432-L476 HydrophobicContact CD1-CD1 3.76Å; F432-L476 HydrophobicContact CE1-CD1 4.42Å; F432-L476 HydrophobicContact CG-CD1 4.31Å
433E87.6Confident88.6Confident131 Ų13180.5 Ų80.561%0.61239%0.392SS*.G310 helixtrans-64.4-20.1-176.9-66.571.5-160.500113P431 K479P431-E433 WeakPolarHBondContact CB-OE2 3.43Å; P431-E433 PolarHBondContact O-N 2.79Å; E433-K479 WeakPolarHBondContact OE1-CE 3.29Å; E433-K479 IonicContact OE1-NZ 2.66Å; E433-K479 PolarHBondContact OE1-NZ 2.79Å; E433-K479 IonicContact OE2-NZ 3.21Å
434R89.6Confident89.3Confident133 Ų13377.1 Ų77.150%0.50238%0.38SS..G310 helixtrans-89.8-15.3176.8-69.1-174.677.1159.36.2112.9P431 F432 R436 F450P431-R434 HydrophobicContact CG-CB 4.36Å; P431-R434 HydrophobicContact CG-CG 3.87Å; P431-R434 PolarHBondContact O-N 2.86Å; F432-R434 PolarHBondContact O-N 3.17Å; R434-R436 PolarHBondContact O-N 3.23Å; R434-F450 HydrophobicContact CB-CB 4.49Å; R434-F450 HydrophobicContact CB-CD1 3.98Å; R434-F450 CarbonylContact O-C 3.52Å; R434-F450 VanDerWaalsContact O-CA 3.26Å; R434-F450 WeakPolarHBondContact O-CA 3.43Å
435L90.4Very high89.7Confident32 Ų3273.2 Ų73.217%0.16836%0.364CS..  trans-69114.1179.7-174.973.5000109.9F413 F432 M437 L448 F450 I472F413-L435 HydrophobicContact CE2-CB 4.19Å; F413-L435 HydrophobicContact CE2-CD1 4.39Å; F413-L435 HydrophobicContact CE2-CD2 4.01Å; F413-L435 HydrophobicContact CE2-CG 4.43Å; F413-L435 HydrophobicContact CZ-CD1 4.41Å; F413-L435 HydrophobicContact CZ-CD2 3.76Å; F432-L435 WeakPolarHBondContact O-CB 3.29Å; F432-L435 PolarHBondContact O-N 3.28Å; L435-M437 WeakPolarHBondContact CD1-O 3.41Å; L435-L448 HydrophobicContact CD1-CB 4.25Å; L435-L448 HydrophobicContact CD1-CD2 3.89Å; L435-F450 HydrophobicContact CB-CD1 4.35Å; L435-F450 HydrophobicContact CB-CE1 4.03Å; L435-F450 HydrophobicContact CD1-CD1 4.42Å; L435-F450 HydrophobicContact CD1-CE1 3.9Å; L435-F450 HydrophobicContact CD1-CE2 4.39Å; L435-F450 HydrophobicContact CD1-CZ 3.89Å; L435-I472 HydrophobicContact CD2-CG2 4.03Å
436R88.3Confident89.8Confident192 Ų19269.7 Ų69.773%0.72535%0.345SS*.  trans-91.5-42.2176.5-65.7-173.7175-167.5-2.3112R434 D449R434-R436 PolarHBondContact O-N 3.23Å; R436-D449 PolarHBondContact N-O 3.5Å
437M87.8Confident89.9Confident101 Ų10167.6 Ų67.650%0.49833%0.333SS..EExtended strand (participates in β ladder)trans-144.7142.4-178.6-165.9173.18300110.5L435 D449L435-M437 WeakPolarHBondContact CD1-O 3.41Å; M437-D449 HydrophobicContact CB-CB 4.16Å; M437-D449 PolarHBondContact N-O 3.45Å; M437-D449 PolarHBondContact O-N 2.94Å
438S90.9Very high90Very high25 Ų2564.5 Ų64.518%0.17532%0.317CS..EExtended strand (participates in β ladder)trans-124.4133.5163.866.10000108.7F447S438-F447 WeakPolarHBondContact CA-O 3.37Å
439S88.8Confident90Very high38 Ų3864.8 Ų64.827%0.26632%0.318SS..EExtended strand (participates in β ladder)trans-145.6164.6177.565.50000111.8F447S439-F447 PolarHBondContact N-O 2.92Å; S439-F447 PolarHBondContact O-N 3.48Å; S439-F447 WeakPolarHBondContact OG-CB 3.34Å
440D90.8Very high89.9Confident37 Ų3760 Ų6020%0.19830%0.296CS..EExtended strand (participates in β ladder)trans-139.6151.1-177.264.595.9000111.2G442 M445 P465 K466 V469D440-G442 WeakPolarHBondContact OD1-CA 3.38Å; D440-G442 PolarHBondContact OD1-N 3.24Å; D440-G442 VanDerWaalsContact OD1-N 3.14Å; D440-M445 WeakPolarHBondContact CA-O 3.47Å; D440-P465 HydrophobicContact CB-CB 3.73Å; D440-P465 HydrophobicContact CB-CG 3.88Å; D440-K466 VanDerWaalsContact CG-NZ 3.29Å; D440-K466 IonicContact OD1-NZ 3.95Å; D440-K466 PolarHBondContact OD1-NZ 3.39Å; D440-K466 IonicContact OD2-NZ 3.16Å; D440-K466 PolarHBondContact OD2-NZ 3.18Å; D440-V469 HydrophobicContact CB-CG2 4.31Å
441D88.9Confident89.3Confident70 Ų7059.2 Ų59.237%0.37430%0.296SS..  trans-83.2-0.1170.871.7-9.7000113.1V443 R444 M445 F447D441-V443 PolarHBondContact O-N 3.29Å; D441-V443 WeakPolarHBondContact OD1-CA 3.36Å; D441-V443 PolarHBondContact OD1-N 2.87Å; D441-R444 PolarHBondContact OD1-N 3.17Å; D441-M445 HydrophobicContact CB-CB 4.22Å; D441-M445 VanDerWaalsContact CG-N 3.27Å; D441-M445 PolarHBondContact N-O 3.41Å; D441-M445 VanDerWaalsContact N-O 3.08Å; D441-M445 PolarHBondContact OD1-N 2.75Å; D441-M445 VanDerWaalsContact OD2-CB 3.29Å; D441-M445 WeakPolarHBondContact OD2-CB 3.47Å; D441-M445 VanDerWaalsContact OD2-CG 3.28Å; D441-M445 WeakPolarHBondContact OD2-CG 3.5Å; D441-M445 PolarHBondContact OD2-N 2.7Å; D441-F447 HydrophobicContact CB-CE2 4.34Å
442G83.6Confident88.4Confident37 Ų3759.1 Ų59.138%0.38131%0.305SS..SBendtrans73.7-5.1-174.600000115.3D440 C464D440-G442 WeakPolarHBondContact OD1-CA 3.38Å; D440-G442 PolarHBondContact OD1-N 3.24Å; D440-G442 VanDerWaalsContact OD1-N 3.14Å; G442-C464 PolarHBondContact O-SG 3.15Å; G442-C464 VanDerWaalsContact O-SG 3.32Å
443V85Confident87Confident103 Ų10365.7 Ų65.762%0.62435%0.348SS*.SBendtrans-115.7-61.8-172.2-177.50000111.5D441 C463 C464D441-V443 PolarHBondContact O-N 3.29Å; D441-V443 WeakPolarHBondContact OD1-CA 3.36Å; D441-V443 PolarHBondContact OD1-N 2.87Å; V443-C463 CarbonylContact O-C 3.33Å; V443-C464 WeakPolarHBondContact O-CA 3.2Å; V443-C464 PolarHBondContact O-N 2.82Å
444R88.9Confident85.7Confident129 Ų12968.6 Ų68.649%0.48736%0.362SS..SBendtrans-154.3-22.6-17869178178.8176.6-3.3115.2D441 D460 L461 C463D441-R444 PolarHBondContact OD1-N 3.17Å; R444-D460 WeakPolarHBondContact CD-OD1 3.39Å; R444-D460 IonicContact CZ-OD2 2.78Å; R444-D460 IonicContact NE-OD2 2.74Å; R444-D460 IonicContact NH1-OD2 3.99Å; R444-L461 PolarHBondContact O-N 2.64Å; R444-C463 WeakPolarHBondContact CA-O 3.48Å
445M92.3Very high84.8Confident43 Ų4363.2 Ų63.221%0.21235%0.345CS..EExtended strand (participates in β ladder)trans-91.3128.6-174.2-59-58-59.600110.9D440 D441 F447 K458 L459 D460 P465D440-M445 WeakPolarHBondContact CA-O 3.47Å; D441-M445 HydrophobicContact CB-CB 4.22Å; D441-M445 VanDerWaalsContact CG-N 3.27Å; D441-M445 PolarHBondContact N-O 3.41Å; D441-M445 VanDerWaalsContact N-O 3.08Å; D441-M445 PolarHBondContact OD1-N 2.75Å; D441-M445 VanDerWaalsContact OD2-CB 3.29Å; D441-M445 WeakPolarHBondContact OD2-CB 3.47Å; D441-M445 VanDerWaalsContact OD2-CG 3.28Å; D441-M445 WeakPolarHBondContact OD2-CG 3.5Å; D441-M445 PolarHBondContact OD2-N 2.7Å; M445-F447 HydrophobicContact CB-CE2 3.82Å; M445-F447 HydrophobicContact CB-CZ 3.72Å; M445-K458 HydrophobicContact CE-CB 4.42Å; M445-L459 WeakPolarHBondContact CA-O 3.42Å; M445-D460 HydrophobicContact CE-CB 4.31Å; M445-D460 HydrophobicContact SD-CB 3.76Å; M445-P465 WeakPolarHBondContact O-CG 3.42Å
446M93.6Very high84.6Confident0 Ų066 Ų660%036%0.357CS..EExtended strand (participates in β ladder)trans-112.4137.3172.5-167.1-178.7-177.900110.2L405 L448 L459 L461 P465 L468 V469 I472L405-M446 HydrophobicContact CD2-SD 4.42Å; M446-L448 HydrophobicContact CE-CD1 4.48Å; M446-L448 HydrophobicContact CE-CD2 3.58Å; M446-L448 HydrophobicContact CE-CG 4.18Å; M446-L459 HydrophobicContact CB-CB 4.39Å; M446-L459 PolarHBondContact N-O 2.95Å; M446-L459 PolarHBondContact O-N 3.42Å; M446-L461 HydrophobicContact CB-CD1 4.03Å; M446-L461 HydrophobicContact CB-CG 4.25Å; M446-L461 HydrophobicContact SD-CD1 3.99Å; M446-P465 HydrophobicContact CB-CB 4.01Å; M446-P465 HydrophobicContact CB-CG 4.4Å; M446-P465 HydrophobicContact CG-CB 4.28Å; M446-L468 HydrophobicContact CE-CD2 4.46Å; M446-L468 HydrophobicContact CE-CG 4.42Å; M446-L468 HydrophobicContact SD-CD2 3.8Å; M446-L468 HydrophobicContact SD-CG 4.3Å; M446-V469 HydrophobicContact CE-CG2 3.89Å; M446-I472 HydrophobicContact CE-CD1 3.2Å
447F92.9Very high84.7Confident46 Ų4657.5 Ų57.520%0.20233%0.326CS..EExtended strand (participates in β ladder)trans-119.8124.9-179.8-50.8-92.1000109.2S438 S439 D441 M445 I457 K458S438-F447 WeakPolarHBondContact CA-O 3.37Å; S439-F447 PolarHBondContact N-O 2.92Å; S439-F447 PolarHBondContact O-N 3.48Å; S439-F447 WeakPolarHBondContact OG-CB 3.34Å; D441-F447 HydrophobicContact CB-CE2 4.34Å; M445-F447 HydrophobicContact CB-CE2 3.82Å; M445-F447 HydrophobicContact CB-CZ 3.72Å; F447-I457 WeakPolarHBondContact CA-O 3.38Å; F447-K458 HydrophobicContact CD1-CD 4.2Å; F447-K458 HydrophobicContact CD1-CG 3.82Å; F447-K458 HydrophobicContact CE1-CD 4.01Å; F447-K458 HydrophobicContact CE1-CG 4.03Å
448L93.1Very high85Confident0 Ų057.9 Ų57.90%033%0.325CS..EExtended strand (participates in β ladder)trans-123.2119.4177.4-63.8176.1000109.1L405 F413 L435 M446 F450 E456 I457 L459 I472L405-L448 HydrophobicContact CD2-CD1 4.46Å; F413-L448 HydrophobicContact CD1-CD1 3.94Å; F413-L448 HydrophobicContact CE1-CD1 4.14Å; F413-L448 HydrophobicContact CE1-CD2 4.39Å; L435-L448 HydrophobicContact CD1-CB 4.25Å; L435-L448 HydrophobicContact CD1-CD2 3.89Å; M446-L448 HydrophobicContact CE-CD1 4.48Å; M446-L448 HydrophobicContact CE-CD2 3.58Å; M446-L448 HydrophobicContact CE-CG 4.18Å; L448-F450 HydrophobicContact CB-CD2 4.35Å; L448-F450 HydrophobicContact CB-CE2 3.56Å; L448-F450 HydrophobicContact CB-CZ 4.16Å; L448-F450 HydrophobicContact CD1-CE2 4.25Å; L448-F450 HydrophobicContact CD1-CZ 4.31Å; L448-E456 CarbonylContact O-C 3.51Å; L448-E456 WeakPolarHBondContact O-CA 3.48Å; L448-I457 HydrophobicContact CB-CD1 4.37Å; L448-I457 HydrophobicContact CB-CG1 4.38Å; L448-I457 PolarHBondContact N-O 2.88Å; L448-I457 PolarHBondContact O-N 2.82Å; L448-L459 HydrophobicContact CD1-CD1 4.14Å; L448-I472 HydrophobicContact CD2-CD1 4.38Å
449D91.8Very high85.1Confident46 Ų4656.7 Ų56.725%0.24632%0.317CS..EExtended strand (participates in β ladder)trans-104.2119.2177.3178.714.5000110.6R436 M437 G451R436-D449 PolarHBondContact N-O 3.5Å; M437-D449 HydrophobicContact CB-CB 4.16Å; M437-D449 PolarHBondContact N-O 3.45Å; M437-D449 PolarHBondContact O-N 2.94Å; D449-G451 WeakPolarHBondContact OD1-CA 3.27Å; D449-G451 PolarHBondContact OD1-N 3.24Å
450F89.9Confident85.3Confident8 Ų856.5 Ų56.54%0.03531%0.313CS..  trans-103.74.3176.9-64.9-83.1000114.3F413 Q430 R434 L435 L448 A455 I457F413-F450 HydrophobicContact CB-CZ 4.09Å; F413-F450 HydrophobicContact CD1-CZ 4.39Å; F413-F450 AromaticContact CD2-CE1 3.56Å; F413-F450 HydrophobicContact CD2-CE1 3.56Å; F413-F450 AromaticContact CD2-CZ 3.55Å; F413-F450 HydrophobicContact CD2-CZ 3.55Å; F413-F450 HydrophobicContact CE2-CE1 4Å; F413-F450 HydrophobicContact CE2-CZ 4.09Å; F413-F450 HydrophobicContact CG-CE1 4.21Å; F413-F450 AromaticContact CG-CZ 3.74Å; F413-F450 HydrophobicContact CG-CZ 3.74Å; Q430-F450 HydrophobicContact CB-CD1 3.53Å; Q430-F450 HydrophobicContact CB-CD2 4.46Å; Q430-F450 HydrophobicContact CB-CE1 3.4Å; Q430-F450 VanDerWaalsContact CB-CE1 3.4Å; Q430-F450 HydrophobicContact CB-CE2 4.38Å; Q430-F450 HydrophobicContact CB-CG 4.07Å; Q430-F450 HydrophobicContact CB-CZ 3.86Å; Q430-F450 HydrophobicContact CG-CB 4.48Å; Q430-F450 HydrophobicContact CG-CD1 3.89Å; Q430-F450 HydrophobicContact CG-CD2 4.13Å; Q430-F450 HydrophobicContact CG-CE1 4.11Å; Q430-F450 HydrophobicContact CG-CE2 4.36Å; Q430-F450 HydrophobicContact CG-CG 3.88Å; Q430-F450 HydrophobicContact CG-CZ 4.34Å; R434-F450 HydrophobicContact CB-CB 4.49Å; R434-F450 HydrophobicContact CB-CD1 3.98Å; R434-F450 CarbonylContact O-C 3.52Å; R434-F450 VanDerWaalsContact O-CA 3.26Å; R434-F450 WeakPolarHBondContact O-CA 3.43Å; L435-F450 HydrophobicContact CB-CD1 4.35Å; L435-F450 HydrophobicContact CB-CE1 4.03Å; L435-F450 HydrophobicContact CD1-CD1 4.42Å; L435-F450 HydrophobicContact CD1-CE1 3.9Å; L435-F450 HydrophobicContact CD1-CE2 4.39Å; L435-F450 HydrophobicContact CD1-CZ 3.89Å; L448-F450 HydrophobicContact CB-CD2 4.35Å; L448-F450 HydrophobicContact CB-CE2 3.56Å; L448-F450 HydrophobicContact CB-CZ 4.16Å; L448-F450 HydrophobicContact CD1-CE2 4.25Å; L448-F450 HydrophobicContact CD1-CZ 4.31Å; F450-A455 HydrophobicContact CB-CB 4.4Å; F450-A455 PolarHBondContact N-O 2.83Å; F450-I457 HydrophobicContact CD2-CD1 3.65Å; F450-I457 HydrophobicContact CD2-CG1 3.85Å; F450-I457 HydrophobicContact CE2-CD1 3.24Å; F450-I457 HydrophobicContact CE2-CG1 3.85Å; F450-I457 HydrophobicContact CZ-CD1 4.33Å
451G81.1Confident85.3Confident15 Ų1555.1 Ų55.116%0.15531%0.305CS..SBendtrans80126.6179.400000115.4D449 A455D449-G451 WeakPolarHBondContact OD1-CA 3.27Å; D449-G451 PolarHBondContact OD1-N 3.24Å; G451-A455 WeakPolarHBondContact O-CB 3.42Å
452G71.9Confident85.2Confident50 Ų5059.5 Ų59.552%0.51532%0.317SS..SBendtrans126.2170.3-18000000112.9E454 A455G452-E454 PolarHBondContact O-N 2.88Å; G452-A455 PolarHBondContact O-N 3.41Å
453P60.1Low85.2Confident144 Ų14461.3 Ų61.394%0.93532%0.322SS*.THydrogen-bonded Turntrans-67.4-14.8-175.223.6-31.4000115.3
454E59.3Low85.2Confident192 Ų19257.6 Ų57.690%0.89730%0.301SS*.THydrogen-bonded Turntrans-127.821.6176.8-63.8-172.3158.200112.7G452G452-E454 PolarHBondContact O-N 2.88Å
455A71.4Confident85.2Confident19 Ų1951.5 Ų51.516%0.15728%0.278CS..  trans-97.8-3.6-165.600000115.6F450 G451 G452F450-A455 HydrophobicContact CB-CB 4.4Å; F450-A455 PolarHBondContact N-O 2.83Å; G451-A455 WeakPolarHBondContact O-CB 3.42Å; G452-A455 PolarHBondContact O-N 3.41Å
456E86.6Confident85Confident91 Ų9152.6 Ų52.643%0.42528%0.281SS..EExtended strand (participates in β ladder)trans-84.4115.5170.9-170.7-170.7-154.400109.6L448 K458L448-E456 CarbonylContact O-C 3.51Å; L448-E456 WeakPolarHBondContact O-CA 3.48Å; E456-K458 WeakPolarHBondContact OE2-CE 3.45Å; E456-K458 IonicContact OE2-NZ 3.21Å
457I90.3Very high84.7Confident13 Ų1354 Ų547%0.06729%0.29CS..EExtended strand (participates in β ladder)trans-95.7132.7174.4-23174000109.6W398 L415 L428 F447 L448 F450 L459W398-I457 HydrophobicContact CD2-CG2 4.37Å; W398-I457 HydrophobicContact CG-CG2 4.34Å; W398-I457 HydrophobicContact CZ2-CG2 4.2Å; L415-I457 HydrophobicContact CD1-CG2 4.25Å; L428-I457 HydrophobicContact CD2-CD1 3.19Å; L428-I457 HydrophobicContact CD2-CG1 4.19Å; F447-I457 WeakPolarHBondContact CA-O 3.38Å; L448-I457 HydrophobicContact CB-CD1 4.37Å; L448-I457 HydrophobicContact CB-CG1 4.38Å; L448-I457 PolarHBondContact N-O 2.88Å; L448-I457 PolarHBondContact O-N 2.82Å; F450-I457 HydrophobicContact CD2-CD1 3.65Å; F450-I457 HydrophobicContact CD2-CG1 3.85Å; F450-I457 HydrophobicContact CE2-CD1 3.24Å; F450-I457 HydrophobicContact CE2-CG1 3.85Å; F450-I457 HydrophobicContact CZ-CD1 4.33Å; I457-L459 HydrophobicContact CG2-CD2 4.08Å; I457-L459 HydrophobicContact CG2-CG 4.41Å
458K93Very high84.6Confident109 Ų10952.3 Ų52.347%0.47428%0.283SS..EExtended strand (participates in β ladder)trans-110.6118.5175-57.7-174.3178.2173.50108.9M445 F447 E456M445-K458 HydrophobicContact CE-CB 4.42Å; F447-K458 HydrophobicContact CD1-CD 4.2Å; F447-K458 HydrophobicContact CD1-CG 3.82Å; F447-K458 HydrophobicContact CE1-CD 4.01Å; F447-K458 HydrophobicContact CE1-CG 4.03Å; E456-K458 WeakPolarHBondContact OE2-CE 3.45Å; E456-K458 IonicContact OE2-NZ 3.21Å
459L93.9Very high84.4Confident0 Ų052.6 Ų52.60%029%0.285CS..EExtended strand (participates in β ladder)trans-119.1128.3-177-58.5175.5000109.5C396 W398 L405 L415 M445 M446 L448 I457 L461C396-L459 HydrophobicContact CB-CB 4.5Å; W398-L459 HydrophobicContact CB-CD2 3.76Å; W398-L459 HydrophobicContact CG-CD2 3.95Å; L405-L459 HydrophobicContact CD1-CD1 4.39Å; L405-L459 HydrophobicContact CD2-CD1 3.64Å; L405-L459 HydrophobicContact CG-CD1 4.41Å; L415-L459 HydrophobicContact CD1-CD2 4Å; L415-L459 HydrophobicContact CD2-CD1 4.24Å; L415-L459 HydrophobicContact CD2-CD2 3.89Å; M445-L459 WeakPolarHBondContact CA-O 3.42Å; M446-L459 HydrophobicContact CB-CB 4.39Å; M446-L459 PolarHBondContact N-O 2.95Å; M446-L459 PolarHBondContact O-N 3.42Å; L448-L459 HydrophobicContact CD1-CD1 4.14Å; I457-L459 HydrophobicContact CG2-CD2 4.08Å; I457-L459 HydrophobicContact CG2-CG 4.41Å; L459-L461 HydrophobicContact CB-CD2 4.47Å
460D94Very high84.3Confident34 Ų3451.3 Ų51.318%0.18228%0.277CS..EExtended strand (participates in β ladder)trans-92.2107.3168.8-173-17.9000108.7C396 S397 R444 M445 R462C396-D460 CarbonylContact C-O 3.43Å; C396-D460 WeakPolarHBondContact CA-O 3.31Å; S397-D460 PolarHBondContact N-O 2.85Å; S397-D460 PolarHBondContact O-N 3.45Å; R444-D460 WeakPolarHBondContact CD-OD1 3.39Å; R444-D460 IonicContact CZ-OD2 2.78Å; R444-D460 IonicContact NE-OD2 2.74Å; R444-D460 IonicContact NH1-OD2 3.99Å; M445-D460 HydrophobicContact CE-CB 4.31Å; M445-D460 HydrophobicContact SD-CB 3.76Å; D460-R462 VanDerWaalsContact C-N 3.31Å; D460-R462 PolarHBondContact OD1-N 2.84Å
461L89.9Confident84.4Confident8 Ų851.4 Ų51.44%0.04228%0.278CS..  trans-85-3-178.8-61.9-177.5000113.2A394 C396 R444 M446 L459 C463 P465 L468A394-L461 HydrophobicContact CB-CD2 4.46Å; C396-L461 HydrophobicContact CB-CD2 3.55Å; R444-L461 PolarHBondContact O-N 2.64Å; M446-L461 HydrophobicContact CB-CD1 4.03Å; M446-L461 HydrophobicContact CB-CG 4.25Å; M446-L461 HydrophobicContact SD-CD1 3.99Å; L459-L461 HydrophobicContact CB-CD2 4.47Å; L461-C463 PolarHBondContact O-N 3.42Å; L461-C463 PolarHBondContact O-SG 3.14Å; L461-P465 HydrophobicContact CD1-CB 3.71Å; L461-P465 HydrophobicContact CD1-CG 4.3Å; L461-L468 HydrophobicContact CD1-CB 4.41Å; L461-L468 HydrophobicContact CD1-CD2 3.88Å; L461-L468 HydrophobicContact CD2-CD2 4.28Å
462R86.1Confident84.9Confident163 Ų16350.7 Ų50.762%0.61527%0.271SS*.SBendtrans591-174.7-52.5165.9172.2-85.3-5.2114.7E402 D460E402-R462 IonicContact OE1-CZ 3.59Å; E402-R462 IonicContact OE1-NE 2.87Å; E402-R462 IonicContact OE1-NH2 3.35Å; E402-R462 PolarHBondContact OE1-NH2 3.21Å; E402-R462 IonicContact OE2-CZ 3.76Å; E402-R462 IonicContact OE2-NE 3.7Å; E402-R462 PolarHBondContact OE2-NE 2.95Å; E402-R462 VanDerWaalsContact OE2-NE 3.16Å; E402-R462 IonicContact OE2-NH2 3.74Å; E402-R462 PolarHBondContact OE2-NH2 3.42Å; D460-R462 VanDerWaalsContact C-N 3.31Å; D460-R462 PolarHBondContact OD1-N 2.84Å
463C84.5Confident85.8Confident74 Ų7451.3 Ų51.350%0.526%0.26SS..SBendtrans-149.7169.1178.563.60000110.6V443 R444 L461 P465V443-C463 CarbonylContact O-C 3.33Å; R444-C463 WeakPolarHBondContact CA-O 3.48Å; L461-C463 PolarHBondContact O-N 3.42Å; L461-C463 PolarHBondContact O-SG 3.14Å; C463-P465 WeakPolarHBondContact O-CD 3.19Å; C463-P465 VanDerWaalsContact O-N 3.15Å
464C85.5Confident87.2Confident26 Ų2645 Ų4518%0.17622%0.22CC..  trans-56.3118.8-175.9-173.60000111.4G442 V443 K466G442-C464 PolarHBondContact O-SG 3.15Å; G442-C464 VanDerWaalsContact O-SG 3.32Å; V443-C464 WeakPolarHBondContact O-CA 3.2Å; V443-C464 PolarHBondContact O-N 2.82Å; C464-K466 PolarHBondContact O-N 2.96Å; C464-K466 VanDerWaalsContact O-N 3.16Å
465P88.1Confident88.9Confident0 Ų035.9 Ų35.90%018%0.177CC..THydrogen-bonded Turntrans-70.2-15.1-175-15.827.4000114.4D440 M445 M446 L461 C463 T467 L468 V469D440-P465 HydrophobicContact CB-CB 3.73Å; D440-P465 HydrophobicContact CB-CG 3.88Å; M445-P465 WeakPolarHBondContact O-CG 3.42Å; M446-P465 HydrophobicContact CB-CB 4.01Å; M446-P465 HydrophobicContact CB-CG 4.4Å; M446-P465 HydrophobicContact CG-CB 4.28Å; L461-P465 HydrophobicContact CD1-CB 3.71Å; L461-P465 HydrophobicContact CD1-CG 4.3Å; C463-P465 WeakPolarHBondContact O-CD 3.19Å; C463-P465 VanDerWaalsContact O-N 3.15Å; P465-T467 PolarHBondContact O-N 3.22Å; P465-T467 VanDerWaalsContact O-N 3.17Å; P465-L468 WeakPolarHBondContact O-CA 3.21Å; P465-L468 WeakPolarHBondContact O-CB 3.35Å; P465-L468 PolarHBondContact O-N 2.92Å; P465-V469 PolarHBondContact O-N 2.9Å
466K87.8Confident89.8Confident66 Ų6638.4 Ų38.429%0.28719%0.187SC..Hα-helixtrans-62.6-32.4-164.6-153.5158.9-149.870.10113V358 D440 C464 V469 F470V358-K466 HydrophobicContact CB-CD 4.32Å; V358-K466 HydrophobicContact CG2-CB 3.8Å; V358-K466 HydrophobicContact CG2-CD 3.52Å; V358-K466 HydrophobicContact CG2-CG 3.48Å; V358-K466 VanDerWaalsContact CG2-CG 3.48Å; D440-K466 VanDerWaalsContact CG-NZ 3.29Å; D440-K466 IonicContact OD1-NZ 3.95Å; D440-K466 PolarHBondContact OD1-NZ 3.39Å; D440-K466 IonicContact OD2-NZ 3.16Å; D440-K466 PolarHBondContact OD2-NZ 3.18Å; C464-K466 PolarHBondContact O-N 2.96Å; C464-K466 VanDerWaalsContact O-N 3.16Å; K466-V469 PolarHBondContact O-N 2.89Å; K466-F470 HydrophobicContact CG-CE1 4.1Å; K466-F470 HydrophobicContact CG-CZ 4.45Å; K466-F470 WeakPolarHBondContact O-CD1 3.45Å; K466-F470 WeakPolarHBondContact O-CG 3.25Å; K466-F470 PolarHBondContact O-N 3.45Å
467T88Confident90Very high29 Ų2936.5 Ų36.518%0.17818%0.184CC..Hα-helixtrans-62.2-42.8172.8-580000111.4T327 G353 T354 P465 F470 I471T327-T467 HydrophobicContact CG2-CG2 3.55Å; G353-T467 WeakPolarHBondContact CA-OG1 3.26Å; T354-T467 PolarHBondContact N-OG1 2.91Å; T354-T467 PolarHBondContact O-OG1 3.07Å; P465-T467 PolarHBondContact O-N 3.22Å; P465-T467 VanDerWaalsContact O-N 3.17Å; T467-F470 WeakPolarHBondContact O-CB 3.27Å; T467-F470 PolarHBondContact O-N 3.38Å; T467-I471 HydrophobicContact CG2-CD1 4.41Å; T467-I471 VanDerWaalsContact O-CG1 3.31Å; T467-I471 WeakPolarHBondContact O-CG1 3.43Å; T467-I471 PolarHBondContact O-N 2.86Å; T467-I471 VanDerWaalsContact O-N 3.08Å
468L90.4Very high90Very high11 Ų1135.9 Ų35.96%0.05818%0.181CC..Hα-helixtrans-70.7-37.3178.4-168.960000112V392 A394 L405 V407 M446 L461 P465 F470 I471 I472V392-L468 HydrophobicContact CG1-CD1 4.4Å; A394-L468 HydrophobicContact CB-CD2 3.97Å; L405-L468 HydrophobicContact CD2-CD2 3.67Å; V407-L468 HydrophobicContact CG2-CD1 4.13Å; M446-L468 HydrophobicContact CE-CD2 4.46Å; M446-L468 HydrophobicContact CE-CG 4.42Å; M446-L468 HydrophobicContact SD-CD2 3.8Å; M446-L468 HydrophobicContact SD-CG 4.3Å; L461-L468 HydrophobicContact CD1-CB 4.41Å; L461-L468 HydrophobicContact CD1-CD2 3.88Å; L461-L468 HydrophobicContact CD2-CD2 4.28Å; P465-L468 WeakPolarHBondContact O-CA 3.21Å; P465-L468 WeakPolarHBondContact O-CB 3.35Å; P465-L468 PolarHBondContact O-N 2.92Å; L468-F470 VanDerWaalsContact C-N 3.28Å; L468-F470 PolarHBondContact O-N 2.98Å; L468-I471 HydrophobicContact CD1-CD1 4.39Å; L468-I471 WeakPolarHBondContact O-CB 3.4Å; L468-I471 PolarHBondContact O-N 2.89Å; L468-I472 HydrophobicContact CG-CD1 4.47Å; L468-I472 WeakPolarHBondContact O-CG1 3.49Å; L468-I472 PolarHBondContact O-N 2.87Å
469V89.1Confident89.9Confident7 Ų731.7 Ų31.74%0.04216%0.163CC..Hα-helixtrans-59.7-40171.5175.90000111.1D440 M446 P465 K466 I472 H473D440-V469 HydrophobicContact CB-CG2 4.31Å; M446-V469 HydrophobicContact CE-CG2 3.89Å; P465-V469 PolarHBondContact O-N 2.9Å; K466-V469 PolarHBondContact O-N 2.89Å; V469-I472 PolarHBondContact O-N 3.38Å; V469-H473 PolarHBondContact O-N 2.95Å; V469-H473 VanDerWaalsContact O-N 3.08Å; V469-H473 PolarHBondContact O-ND1 3.17Å
470F89.3Confident89.5Confident18 Ų1834 Ų348%0.07918%0.176CC..Hα-helixtrans-64.7-42.6175.4-76.711000111.9T327 R351 V358 K466 T467 L468 I472 H473 S474T327-F470 WeakPolarHBondContact O-CD2 3.29Å; R351-F470 HydrophobicContact CB-CE2 3.84Å; R351-F470 HydrophobicContact CB-CZ 4.09Å; V358-F470 HydrophobicContact CB-CE2 4.44Å; V358-F470 HydrophobicContact CB-CZ 4.47Å; V358-F470 HydrophobicContact CG1-CE2 3.77Å; V358-F470 HydrophobicContact CG1-CZ 3.86Å; V358-F470 HydrophobicContact CG2-CD2 4.49Å; V358-F470 HydrophobicContact CG2-CE2 3.72Å; V358-F470 HydrophobicContact CG2-CZ 3.74Å; K466-F470 HydrophobicContact CG-CE1 4.1Å; K466-F470 HydrophobicContact CG-CZ 4.45Å; K466-F470 WeakPolarHBondContact O-CD1 3.45Å; K466-F470 WeakPolarHBondContact O-CG 3.25Å; K466-F470 PolarHBondContact O-N 3.45Å; T467-F470 WeakPolarHBondContact O-CB 3.27Å; T467-F470 PolarHBondContact O-N 3.38Å; L468-F470 VanDerWaalsContact C-N 3.28Å; L468-F470 PolarHBondContact O-N 2.98Å; F470-I472 VanDerWaalsContact C-N 3.33Å; F470-I472 PolarHBondContact O-N 3.2Å; F470-H473 PolarHBondContact O-N 2.97Å; F470-S474 PolarHBondContact O-N 2.84Å; F470-S474 PolarHBondContact O-OG 3.38Å; F470-S474 VanDerWaalsContact O-OG 3.07Å
471I91.6Very high89.2Confident10 Ų1036.6 Ų36.65%0.05119%0.186CC..Hα-helixtrans-60.6-42.7176.5-66.7167.6000111.2I326 T327 V392 T467 L468 H473 S474 F475I326-I471 HydrophobicContact CD1-CG2 4.05Å; I326-I471 HydrophobicContact CG1-CG1 4.26Å; I326-I471 HydrophobicContact CG1-CG2 4.22Å; T327-I471 HydrophobicContact CG2-CD1 3.89Å; T327-I471 HydrophobicContact CG2-CG1 3.84Å; V392-I471 HydrophobicContact CB-CD1 4.45Å; V392-I471 HydrophobicContact CB-CG2 4.16Å; V392-I471 HydrophobicContact CG1-CD1 3.96Å; V392-I471 HydrophobicContact CG2-CD1 4.25Å; V392-I471 HydrophobicContact CG2-CG2 3.88Å; T467-I471 HydrophobicContact CG2-CD1 4.41Å; T467-I471 VanDerWaalsContact O-CG1 3.31Å; T467-I471 WeakPolarHBondContact O-CG1 3.43Å; T467-I471 PolarHBondContact O-N 2.86Å; T467-I471 VanDerWaalsContact O-N 3.08Å; L468-I471 HydrophobicContact CD1-CD1 4.39Å; L468-I471 WeakPolarHBondContact O-CB 3.4Å; L468-I471 PolarHBondContact O-N 2.89Å; I471-H473 VanDerWaalsContact C-N 3.34Å; I471-H473 PolarHBondContact O-N 3.48Å; I471-S474 WeakPolarHBondContact O-CB 3.41Å; I471-S474 PolarHBondContact O-N 2.75Å; I471-F475 HydrophobicContact CG2-CD2 3.76Å; I471-F475 HydrophobicContact CG2-CE2 3.42Å; I471-F475 VanDerWaalsContact CG2-CE2 3.42Å; I471-F475 HydrophobicContact CG2-CZ 4.06Å; I471-F475 WeakPolarHBondContact O-CD2 3.39Å; I471-F475 PolarHBondContact O-N 3.41Å
472I92.4Very high89.1Confident1 Ų141.7 Ų41.71%0.00521%0.205CC..Hα-helixtrans-58.6-46.8175.2-73.6162.8000110.9V407 F413 F432 L435 M446 L448 L468 V469 F470 S474 F475 L476V407-I472 HydrophobicContact CG1-CG1 3.9Å; V407-I472 HydrophobicContact CG2-CG1 4.38Å; F413-I472 HydrophobicContact CE1-CD1 3.65Å; F413-I472 HydrophobicContact CE1-CG1 3.84Å; F413-I472 HydrophobicContact CZ-CD1 4.19Å; F413-I472 HydrophobicContact CZ-CG1 4.13Å; F413-I472 HydrophobicContact CZ-CG2 4.11Å; F432-I472 HydrophobicContact CE1-CG2 4.15Å; L435-I472 HydrophobicContact CD2-CG2 4.03Å; M446-I472 HydrophobicContact CE-CD1 3.2Å; L448-I472 HydrophobicContact CD2-CD1 4.38Å; L468-I472 HydrophobicContact CG-CD1 4.47Å; L468-I472 WeakPolarHBondContact O-CG1 3.49Å; L468-I472 PolarHBondContact O-N 2.87Å; V469-I472 PolarHBondContact O-N 3.38Å; F470-I472 VanDerWaalsContact C-N 3.33Å; F470-I472 PolarHBondContact O-N 3.2Å; I472-S474 VanDerWaalsContact C-N 3.34Å; I472-S474 PolarHBondContact O-N 3.48Å; I472-F475 PolarHBondContact O-N 3.13Å; I472-L476 WeakPolarHBondContact O-CB 3.32Å; I472-L476 PolarHBondContact O-N 2.78Å
473H89.8Confident89Confident62 Ų6238.8 Ų38.829%0.28720%0.201SC..Hα-helixtrans-63.7-38.9175.9-66.7158.9000112.4R329 V469 F470 I471 L476 S477R329-H473 PolarHBondContact NH1-ND1 3.14Å; V469-H473 PolarHBondContact O-N 2.95Å; V469-H473 VanDerWaalsContact O-N 3.08Å; V469-H473 PolarHBondContact O-ND1 3.17Å; F470-H473 PolarHBondContact O-N 2.97Å; I471-H473 VanDerWaalsContact C-N 3.34Å; I471-H473 PolarHBondContact O-N 3.48Å; H473-L476 PolarHBondContact O-N 3.31Å; H473-S477 VanDerWaalsContact O-CB 3.24Å; H473-S477 WeakPolarHBondContact O-CB 3.4Å; H473-S477 PolarHBondContact O-N 2.64Å
474S91.2Very high88.7Confident13 Ų1338.2 Ų38.29%0.09121%0.207CC..Hα-helixtrans-62.5-45.9175.7-62.60000111.5I326 F470 I471 I472 S477 A478I326-S474 PolarHBondContact O-OG 3.28Å; F470-S474 PolarHBondContact O-N 2.84Å; F470-S474 PolarHBondContact O-OG 3.38Å; F470-S474 VanDerWaalsContact O-OG 3.07Å; I471-S474 WeakPolarHBondContact O-CB 3.41Å; I471-S474 PolarHBondContact O-N 2.75Å; I472-S474 VanDerWaalsContact C-N 3.34Å; I472-S474 PolarHBondContact O-N 3.48Å; S474-S477 PolarHBondContact O-N 2.93Å; S474-A478 VanDerWaalsContact O-CB 3.29Å; S474-A478 WeakPolarHBondContact O-CB 3.31Å; S474-A478 PolarHBondContact O-N 3.05Å
475F94.1Very high88Confident0 Ų042.9 Ų42.90%023%0.23CC..Hα-helixtrans-62.5-44.8175-74.5-40.5000112.2I326 A386 V392 V407 I409 F432 I471 I472 A478 K479I326-F475 HydrophobicContact CD1-CE1 3.9Å; I326-F475 HydrophobicContact CD1-CZ 3.83Å; A386-F475 HydrophobicContact CB-CD1 3.8Å; A386-F475 HydrophobicContact CB-CE1 4.1Å; A386-F475 WeakPolarHBondContact O-CE1 3.44Å; V392-F475 HydrophobicContact CG2-CE2 4.39Å; V392-F475 HydrophobicContact CG2-CZ 4.16Å; V407-F475 HydrophobicContact CB-CE2 4.28Å; V407-F475 HydrophobicContact CG1-CD2 3.7Å; V407-F475 HydrophobicContact CG1-CE2 3.94Å; V407-F475 VanDerWaalsContact O-CE2 3.26Å; V407-F475 WeakPolarHBondContact O-CE2 3.41Å; I409-F475 HydrophobicContact CB-CD1 3.64Å; I409-F475 HydrophobicContact CB-CE1 4.05Å; I409-F475 HydrophobicContact CB-CG 4.19Å; I409-F475 HydrophobicContact CD1-CD1 4.02Å; I409-F475 HydrophobicContact CG1-CB 4.24Å; I409-F475 HydrophobicContact CG1-CD1 3.84Å; I409-F475 HydrophobicContact CG1-CG 4.35Å; F432-F475 HydrophobicContact CE1-CB 4.41Å; F432-F475 HydrophobicContact CE2-CB 4.15Å; F432-F475 HydrophobicContact CZ-CB 3.64Å; F432-F475 HydrophobicContact CZ-CD2 4.18Å; F432-F475 HydrophobicContact CZ-CG 4.32Å; I471-F475 HydrophobicContact CG2-CD2 3.76Å; I471-F475 HydrophobicContact CG2-CE2 3.42Å; I471-F475 VanDerWaalsContact CG2-CE2 3.42Å; I471-F475 HydrophobicContact CG2-CZ 4.06Å; I471-F475 WeakPolarHBondContact O-CD2 3.39Å; I471-F475 PolarHBondContact O-N 3.41Å; I472-F475 PolarHBondContact O-N 3.13Å; F475-A478 PolarHBondContact O-N 3.39Å; F475-K479 VanDerWaalsContact O-CB 3.3Å; F475-K479 WeakPolarHBondContact O-CB 3.5Å; F475-K479 PolarHBondContact O-N 2.9Å
476L90.6Very high86.4Confident72 Ų7248.1 Ų48.138%0.37726%0.258SS..Hα-helixtrans-62.9-46.9179.2-161.377.5000110.9F432 I472 H473 A478 K479 V480F432-L476 HydrophobicContact CB-CD1 4.33Å; F432-L476 HydrophobicContact CD1-CD1 3.76Å; F432-L476 HydrophobicContact CE1-CD1 4.42Å; F432-L476 HydrophobicContact CG-CD1 4.31Å; I472-L476 WeakPolarHBondContact O-CB 3.32Å; I472-L476 PolarHBondContact O-N 2.78Å; H473-L476 PolarHBondContact O-N 3.31Å; L476-A478 PolarHBondContact O-N 2.92Å; L476-K479 PolarHBondContact O-N 3.25Å; L476-V480 VanDerWaalsContact O-CG2 3.26Å; L476-V480 WeakPolarHBondContact O-CG2 3.38Å; L476-V480 PolarHBondContact O-N 2.88Å
477S90Very high84.1Confident50 Ų5053.4 Ų53.435%0.3531%0.313SS..Hα-helixtrans-61-44.8177.8-169.90000111.9H383 H473 S474 V480 K481H383-S477 PolarHBondContact NE2-OG 3.26Å; H473-S477 VanDerWaalsContact O-CB 3.24Å; H473-S477 WeakPolarHBondContact O-CB 3.4Å; H473-S477 PolarHBondContact O-N 2.64Å; S474-S477 PolarHBondContact O-N 2.93Å; S477-V480 PolarHBondContact O-N 2.78Å; S477-K481 PolarHBondContact O-N 3.09Å
478A91.4Very high83.9Confident1 Ų154.6 Ų54.61%0.00832%0.32CS..Hα-helixtrans-62.5-44.1175.800000111.8H383 A386 I409 S474 F475 L476 V480 K481 R482H383-A478 HydrophobicContact CB-CB 4.17Å; H383-A478 PolarHBondContact CD2-N 2.97Å; A386-A478 HydrophobicContact CB-CB 3.97Å; I409-A478 HydrophobicContact CD1-CB 4.13Å; S474-A478 VanDerWaalsContact O-CB 3.29Å; S474-A478 WeakPolarHBondContact O-CB 3.31Å; S474-A478 PolarHBondContact O-N 3.05Å; F475-A478 PolarHBondContact O-N 3.39Å; L476-A478 PolarHBondContact O-N 2.92Å; A478-V480 PolarHBondContact O-N 3.29Å; A478-K481 PolarHBondContact O-N 2.95Å; A478-R482 WeakPolarHBondContact O-CB 3.4Å; A478-R482 PolarHBondContact O-N 2.86Å
479K89.4Confident83.5Confident20 Ų2056.9 Ų56.99%0.08733%0.334CS..Hα-helixtrans-61.6-43.9178-166.5178.2-168.7179.40111.7E433 F475 L476 R482 L483E433-K479 WeakPolarHBondContact OE1-CE 3.29Å; E433-K479 IonicContact OE1-NZ 2.66Å; E433-K479 PolarHBondContact OE1-NZ 2.79Å; E433-K479 IonicContact OE2-NZ 3.21Å; F475-K479 VanDerWaalsContact O-CB 3.3Å; F475-K479 WeakPolarHBondContact O-CB 3.5Å; F475-K479 PolarHBondContact O-N 2.9Å; L476-K479 PolarHBondContact O-N 3.25Å; K479-R482 PolarHBondContact O-N 2.78Å; K479-L483 HydrophobicContact CG-CD1 4.4Å; K479-L483 WeakPolarHBondContact O-CG 3.31Å; K479-L483 PolarHBondContact O-N 2.94Å; K479-L483 VanDerWaalsContact O-N 3.08Å
480V87.4Confident83.2Confident48 Ų4859.7 Ų59.729%0.29135%0.35SS..Hα-helixtrans-63.1-44.4176.4174.60000111L476 S477 A478 R482 L483 G484 L485 L486L476-V480 VanDerWaalsContact O-CG2 3.26Å; L476-V480 WeakPolarHBondContact O-CG2 3.38Å; L476-V480 PolarHBondContact O-N 2.88Å; S477-V480 PolarHBondContact O-N 2.78Å; A478-V480 PolarHBondContact O-N 3.29Å; V480-R482 PolarHBondContact O-N 2.81Å; V480-L483 PolarHBondContact O-N 3.34Å; V480-G484 PolarHBondContact O-N 3.28Å; V480-L485 HydrophobicContact CG1-CB 3.86Å; V480-L485 PolarHBondContact O-N 3.02Å; V480-L486 HydrophobicContact CB-CD1 4.21Å; V480-L486 HydrophobicContact CG1-CD1 3.63Å; V480-L486 HydrophobicContact CG1-CG 3.66Å
481K87.3Confident82.9Confident90 Ų9062.1 Ų62.139%0.39137%0.366SS..Hα-helixtrans-58.8-46.2175-178.8-178.6174.1-170.90111.3H383 S477 A478 L483 G484 L486H383-K481 HydrophobicContact CB-CD 4.36Å; H383-K481 WeakPolarHBondContact ND1-CD 3.17Å; S477-K481 PolarHBondContact O-N 3.09Å; A478-K481 PolarHBondContact O-N 2.95Å; K481-L483 VanDerWaalsContact C-N 3.27Å; K481-L483 PolarHBondContact O-N 3.05Å; K481-G484 PolarHBondContact O-N 3.31Å; K481-L486 HydrophobicContact CB-CD1 4.27Å
482R87.1Confident82.3Confident115 Ų11565.4 Ų65.443%0.43439%0.386SS..Hα-helixtrans-61.7-33.6179.7-170.1-179.869.2-176.81.2112.9D410 A478 K479 V480 G484D410-R482 IonicContact OD1-CZ 3.9Å; D410-R482 IonicContact OD1-NH1 2.9Å; D410-R482 PolarHBondContact OD1-NH1 3.19Å; D410-R482 IonicContact OD1-NH2 2.76Å; D410-R482 PolarHBondContact OD1-NH2 3.12Å; D410-R482 IonicContact OD2-NH1 2.81Å; A478-R482 WeakPolarHBondContact O-CB 3.4Å; A478-R482 PolarHBondContact O-N 2.86Å; K479-R482 PolarHBondContact O-N 2.78Å; V480-R482 PolarHBondContact O-N 2.81Å; R482-G484 PolarHBondContact O-N 2.8Å
483L83.7Confident81.7Confident102 Ų10269.7 Ų69.753%0.53441%0.411SS..THydrogen-bonded Turntrans-79.6-2176.7-67.6172.1000113.4K479 V480 K481 L485K479-L483 HydrophobicContact CG-CD1 4.4Å; K479-L483 WeakPolarHBondContact O-CG 3.31Å; K479-L483 PolarHBondContact O-N 2.94Å; K479-L483 VanDerWaalsContact O-N 3.08Å; V480-L483 PolarHBondContact O-N 3.34Å; K481-L483 VanDerWaalsContact C-N 3.27Å; K481-L483 PolarHBondContact O-N 3.05Å; L483-L485 HydrophobicContact CB-CD1 3.72Å; L483-L485 HydrophobicContact CB-CG 3.81Å; L483-L485 HydrophobicContact CD1-CD1 3.92Å; L483-L485 HydrophobicContact CG-CD1 4.49Å; L483-L485 PolarHBondContact O-N 3.03Å
484G78.6Confident81.1Confident61 Ų6170.2 Ų70.263%0.62942%0.42SS*.THydrogen-bonded Turntrans67.520.8-178.100000113.5V480 K481 R482 L486V480-G484 PolarHBondContact O-N 3.28Å; K481-G484 PolarHBondContact O-N 3.31Å; R482-G484 PolarHBondContact O-N 2.8Å; G484-L486 VanDerWaalsContact C-N 3.27Å; G484-L486 PolarHBondContact O-N 3.03Å
485L70.9Confident80.3Confident125 Ų12574.6 Ų74.665%0.65445%0.445SS*.  trans-86.74.1-176-65.9172.1000113.1V480 L483V480-L485 HydrophobicContact CG1-CB 3.86Å; V480-L485 PolarHBondContact O-N 3.02Å; L483-L485 HydrophobicContact CB-CD1 3.72Å; L483-L485 HydrophobicContact CB-CG 3.81Å; L483-L485 HydrophobicContact CD1-CD1 3.92Å; L483-L485 HydrophobicContact CG-CD1 4.49Å; L483-L485 PolarHBondContact O-N 3.03Å
486L55.1Low79.1Confident110 Ų11080.8 Ų80.858%0.57648%0.482SS*.  trans-109.8110.5171.8-79.7152.9000108.3V480 K481 G484V480-L486 HydrophobicContact CB-CD1 4.21Å; V480-L486 HydrophobicContact CG1-CD1 3.63Å; V480-L486 HydrophobicContact CG1-CG 3.66Å; K481-L486 HydrophobicContact CB-CD1 4.27Å; G484-L486 VanDerWaalsContact C-N 3.27Å; G484-L486 PolarHBondContact O-N 3.03Å
487A38.4Very low78.1Confident176 Ų17681.6 Ų81.6100%1.45549%0.492SS*.  trans-950167.700000110.3

Retrieved 487 of 487 residues in 350.9 ms (Link to these results)

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