A0A087XAQ2_POEFO Loading...

Pleckstrin homology domain containing S1, tandem duplicate 3

AlphaFold DB , UniProt , Accession A0A087XAQ2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 449 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
1M36.7Very low39.6Very low249 Ų249151.6 Ų151.6100%1.22785%0.853SS**  0134.40-76160146.900108.7
2A39.4Very low39.1Very low104 Ų104145.6 Ų145.686%0.8683%0.828SS**  trans-156.5121167.700000109.5
3K39.3Very low39.2Very low202 Ų202143.5 Ų143.588%0.87882%0.819SS**  trans-130.3125.6159.2-84.6-167171.5-171.70107.8
4R40.8Very low39.3Very low232 Ų232145.3 Ų145.388%0.87581%0.813SS**  trans-86.7138.8159.5-61170.5177.7139.9-4105.8
5D41.8Very low39.4Very low157 Ų157146.7 Ų146.784%0.8480%0.803SS**  trans-120.4139.3152.5-79.5-63.2000108.2
6R42.3Very low39.7Very low226 Ų226147.5 Ų147.585%0.85381%0.806SS**  trans-112.1126.4-170.3-96-176.9168.1178.4-5.1110.2
7S40.9Very low39.8Very low107 Ų107144.1 Ų144.175%0.74880%0.795SS**  trans39.7105.7145.361.30000118.6
8A35.2Very low40.6Very low106 Ų106139.3 Ų139.388%0.87677%0.767SS**  trans-117.777.1143.800000108.3G10A8-G10 PolarHBondContact O-N 3.11Å
9S44.3Very low41.4Very low112 Ų112138 Ų13878%0.78376%0.764SS**  trans-75.670.8176.1-174.70000110.1S11S9-S11 PolarHBondContact O-N 3.38Å
10G35.4Very low42.3Very low69 Ų69137.5 Ų137.571%0.71176%0.76SS**  trans-68.892.6171.600000109.7A8 S12A8-G10 PolarHBondContact O-N 3.11Å; G10-S12 PolarHBondContact O-N 2.8Å
11S39.7Very low44Very low104 Ų104132.3 Ų132.373%0.72774%0.735SS**  trans-70.176.617059.80000109.2S9 V13S9-S11 PolarHBondContact O-N 3.38Å; S11-V13 VanDerWaalsContact C-N 3.35Å; S11-V13 PolarHBondContact O-N 3.22Å
12S33.9Very low46.3Very low79 Ų79126.3 Ų126.355%0.55270%0.704SS**  trans-59.9100.3168.9177.10000107.6G10 F14G10-S12 PolarHBondContact O-N 2.8Å; S12-F14 VanDerWaalsContact O-CD2 3.28Å; S12-F14 WeakPolarHBondContact O-CD2 3.12Å; S12-F14 PolarHBondContact O-N 3.35Å
13V40.6Very low48.8Very low118 Ų118124.8 Ų124.872%0.71568%0.679SS**  trans-68.989170.1-178.60000106.3S11 Y15S11-V13 VanDerWaalsContact C-N 3.35Å; S11-V13 PolarHBondContact O-N 3.22Å; V13-Y15 PolarHBondContact O-N 3.41Å; V13-Y15 VanDerWaalsContact O-N 3.07Å
14F39.5Very low51.3Low169 Ų169118 Ų11874%0.74165%0.652SS**  trans-56.3115.8164.7-71.5-85.4000106.7S12 N16S12-F14 VanDerWaalsContact O-CD2 3.28Å; S12-F14 WeakPolarHBondContact O-CD2 3.12Å; S12-F14 PolarHBondContact O-N 3.35Å; F14-N16 PolarHBondContact O-N 3.43Å
15Y40.9Very low53.7Low167 Ų167110.4 Ų110.466%0.65562%0.623SS**  trans-53.1133.5166.2-72.1-103.2000107V13 S17V13-Y15 PolarHBondContact O-N 3.41Å; V13-Y15 VanDerWaalsContact O-N 3.07Å; Y15-S17 PolarHBondContact O-N 2.59Å
16N43.8Very low56.2Low159 Ų159105 Ų10585%0.8560%0.597SS**  trans-66.286.3176-78.9-20.9000109F14F14-N16 PolarHBondContact O-N 3.43Å
17S42.8Very low58.6Low90 Ų9094.8 Ų94.863%0.62956%0.563SS**  trans-51.3139.8170.9-72.90000109.1Y15 T19Y15-S17 PolarHBondContact O-N 2.59Å; S17-T19 VanDerWaalsContact CB-OG1 3.27Å; S17-T19 WeakPolarHBondContact CB-OG1 3.29Å; S17-T19 PolarHBondContact O-N 3.44Å; S17-T19 PolarHBondContact O-OG1 2.94Å
18I54.4Low61.2Low57 Ų5792.1 Ų92.129%0.29254%0.537SS..  trans-80.551.4178.6-48.6177.1000107.9N20 A21 Y50I18-N20 PolarHBondContact O-N 2.98Å; I18-A21 HydrophobicContact CG2-CB 3.36Å; I18-A21 PolarHBondContact O-N 3.33Å; I18-Y50 HydrophobicContact CD1-CD2 4.19Å; I18-Y50 HydrophobicContact CD1-CE1 4.13Å; I18-Y50 HydrophobicContact CD1-CE2 3.74Å; I18-Y50 HydrophobicContact CG2-CD1 4.1Å; I18-Y50 HydrophobicContact CG2-CE1 4.39Å; I18-Y50 HydrophobicContact CG2-CG 4.41Å
19T54.7Low63.9Low115 Ų11587.3 Ų87.371%0.70650%0.496SS*.THydrogen-bonded Turntrans-63-25.3-157.1-41.30000113.6S17S17-T19 VanDerWaalsContact CB-OG1 3.27Å; S17-T19 WeakPolarHBondContact CB-OG1 3.29Å; S17-T19 PolarHBondContact O-N 3.44Å; S17-T19 PolarHBondContact O-OG1 2.94Å
20N60.3Low66.2Low128 Ų12884.2 Ų84.268%0.68447%0.47SS*.THydrogen-bonded Turntrans-122.1-1.5-175.9-58.6-15000114.2I18 P53I18-N20 PolarHBondContact O-N 2.98Å; N20-P53 HydrophobicContact CB-CG 4.04Å
21A76.4Confident68.8Low28 Ų2881.4 Ų81.423%0.23144%0.439CS..  trans-92.3128.8-174.700000111.8I18 K51I18-A21 HydrophobicContact CG2-CB 3.36Å; I18-A21 PolarHBondContact O-N 3.33Å; A21-K51 CarbonylContact C-O 3.47Å; A21-K51 VanDerWaalsContact CA-O 3.25Å; A21-K51 WeakPolarHBondContact CA-O 3.44Å; A21-K51 WeakPolarHBondContact CB-O 3.42Å
22Q86.9Confident71.1Confident123 Ų12376.7 Ų76.758%0.57541%0.406SS*.EExtended strand (participates in β ladder)trans-72.7132.7179.2-173.2179.49.200110.7I24 Y50 K51Q22-I24 HydrophobicContact CB-CD1 4.42Å; Q22-I24 HydrophobicContact CG-CD1 4.02Å; Q22-I24 PolarHBondContact O-N 2.95Å; Q22-Y50 CarbonylContact O-C 3.42Å; Q22-Y50 WeakPolarHBondContact O-CA 3.5Å; Q22-K51 PolarHBondContact N-O 2.92Å; Q22-K51 PolarHBondContact O-N 3.2Å
23E91.4Very high73.5Confident72 Ų7274.2 Ų74.234%0.33639%0.388SS..EExtended strand (participates in β ladder)trans-77.8114.2166.2-175.3158.213800108.5S26 V48 Y50 R68E23-S26 WeakPolarHBondContact OE1-CB 3.34Å; E23-S26 PolarHBondContact OE1-OG 3.33Å; E23-V48 VanDerWaalsContact CD-CG1 3.47Å; E23-V48 HydrophobicContact CG-CG1 3.6Å; E23-V48 WeakPolarHBondContact OE2-CG1 3.18Å; E23-Y50 HydrophobicContact CB-CD1 4.43Å; E23-Y50 HydrophobicContact CB-CE1 4.25Å; E23-R68 IonicContact OE1-CZ 2.66Å; E23-R68 IonicContact OE1-NH1 3.78Å; E23-R68 PolarHBondContact OE1-NH1 3.36Å; E23-R68 IonicContact OE1-NH2 2.65Å; E23-R68 IonicContact OE2-NH1 3.6Å; E23-R68 PolarHBondContact OE2-NH1 3.41Å
24I90.3Very high75.3Confident60 Ų6070.1 Ų70.131%0.30836%0.364SS..EExtended strand (participates in β ladder)trans-86.7-48.7-178.4-60.1-60.8000110.4Q22 L49 K51 Y57 D133Q22-I24 HydrophobicContact CB-CD1 4.42Å; Q22-I24 HydrophobicContact CG-CD1 4.02Å; Q22-I24 PolarHBondContact O-N 2.95Å; I24-L49 HydrophobicContact CB-CD2 4.32Å; I24-L49 HydrophobicContact CB-CG 4.31Å; I24-L49 HydrophobicContact CG2-CD2 4.25Å; I24-L49 PolarHBondContact N-O 3.15Å; I24-K51 HydrophobicContact CD1-CB 3.79Å; I24-K51 HydrophobicContact CD1-CD 4Å; I24-K51 HydrophobicContact CG1-CB 3.63Å; I24-Y57 HydrophobicContact CG1-CE1 4.4Å; I24-D133 HydrophobicContact CG2-CB 4.24Å
25R93Very high76.6Confident73 Ų7368 Ų6828%0.27536%0.356SS..EExtended strand (participates in β ladder)trans-146.1141.6175.3-173.8175.5-62.1-110.9-6.4109.9V48 L49 G129 W130 D133R25-V48 WeakPolarHBondContact O-CA 3.4Å; R25-L49 PolarHBondContact O-N 2.96Å; R25-G129 PolarHBondContact NH2-O 2.91Å; R25-W130 HydrophobicContact CB-CH2 4.28Å; R25-W130 HydrophobicContact CB-CZ3 4.28Å; R25-W130 VanDerWaalsContact CD-CE2 3.47Å; R25-W130 HydrophobicContact CG-CD2 4.15Å; R25-W130 HydrophobicContact CG-CE3 4.31Å; R25-W130 HydrophobicContact CG-CH2 3.98Å; R25-W130 HydrophobicContact CG-CZ2 3.82Å; R25-W130 HydrophobicContact CG-CZ3 4.22Å; R25-D133 IonicContact CZ-OD2 3.09Å; R25-D133 IonicContact NE-OD2 2.83Å; R25-D133 PolarHBondContact NE-OD2 3.26Å; R25-D133 IonicContact NH2-OD1 2.8Å; R25-D133 IonicContact NH2-OD2 2.66Å; R25-D133 PolarHBondContact NH2-OD2 2.89Å
26S93.5Very high77.7Confident42 Ų4267.8 Ų67.829%0.29436%0.359SS..EExtended strand (participates in β ladder)trans-137.6157.4162.8630000111.3E23 F46 F47E23-S26 WeakPolarHBondContact OE1-CB 3.34Å; E23-S26 PolarHBondContact OE1-OG 3.33Å; S26-F46 VanDerWaalsContact CB-CZ 3.49Å; S26-F46 WeakPolarHBondContact OG-CZ 3.49Å; S26-F47 WeakPolarHBondContact CA-O 3.45Å; S26-F47 WeakPolarHBondContact CB-O 3.37Å
27G93.2Very high78.4Confident12 Ų1268.9 Ų68.912%0.12435%0.351CS..EExtended strand (participates in β ladder)trans168.6169.9-17200000112.5F46 F47G27-F46 CarbonylContact O-C 3.59Å; G27-F46 WeakPolarHBondContact O-CA 3.32Å; G27-F46 WeakPolarHBondContact O-CD2 3.24Å; G27-F47 PolarHBondContact N-O 2.9Å; G27-F47 VanDerWaalsContact N-O 3.1Å; G27-F47 PolarHBondContact O-N 3.48Å
28Y94.3Very high78.6Confident52 Ų5273.5 Ų73.520%0.20437%0.368CS..EExtended strand (participates in β ladder)trans-90.8132.9177.1-75.8-78.6000111R44 R45 F46 A65 E66Y28-R44 HydrophobicContact CD1-CG 4.21Å; Y28-R44 VanDerWaalsContact CD1-NH1 3.29Å; Y28-R44 VanDerWaalsContact CG-NH1 3.25Å; Y28-R45 WeakPolarHBondContact CA-O 3.44Å; Y28-F46 HydrophobicContact CD1-CB 4.02Å; Y28-F46 AromaticContact CD1-CD2 3.99Å; Y28-F46 HydrophobicContact CD1-CD2 3.99Å; Y28-F46 AromaticContact CD2-CD2 3.8Å; Y28-F46 HydrophobicContact CD2-CD2 3.8Å; Y28-F46 HydrophobicContact CD2-CE2 4.27Å; Y28-F46 HydrophobicContact CE1-CB 3.8Å; Y28-F46 AromaticContact CE1-CD2 3.93Å; Y28-F46 HydrophobicContact CE1-CD2 3.93Å; Y28-F46 HydrophobicContact CE1-CG 4.34Å; Y28-F46 AromaticContact CE2-CD2 3.73Å; Y28-F46 HydrophobicContact CE2-CD2 3.73Å; Y28-F46 HydrophobicContact CE2-CE2 4.22Å; Y28-F46 AromaticContact CG-CD2 3.93Å; Y28-F46 HydrophobicContact CG-CD2 3.93Å; Y28-F46 AromaticContact CZ-CD2 3.8Å; Y28-A65 HydrophobicContact CE2-CB 4.25Å; Y28-A65 PolarHBondContact OH-N 2.92Å; Y28-E66 PolarHBondContact OH-OE1 3.49Å
29L92.9Very high78.6Confident5 Ų579.7 Ų79.73%0.02639%0.392CS..EExtended strand (participates in β ladder)trans-130.4139.4171.9-61170.7000109.9K31 R44 R45 F47 L119 A121 W130L29-K31 PolarHBondContact O-N 3.19Å; L29-R44 WeakPolarHBondContact O-CA 3.44Å; L29-R45 PolarHBondContact N-O 3.22Å; L29-R45 PolarHBondContact O-N 3.24Å; L29-F47 HydrophobicContact CB-CD2 3.67Å; L29-F47 HydrophobicContact CB-CE2 3.79Å; L29-F47 HydrophobicContact CD1-CB 4.23Å; L29-F47 HydrophobicContact CD1-CD2 3.93Å; L29-F47 HydrophobicContact CD1-CE2 4.45Å; L29-F47 HydrophobicContact CD1-CG 3.99Å; L29-F47 HydrophobicContact CG-CD2 4.08Å; L29-L119 HydrophobicContact CB-CB 4.41Å; L29-L119 HydrophobicContact CD1-CB 4.1Å; L29-L119 HydrophobicContact CD1-CD1 4.02Å; L29-A121 HydrophobicContact CD2-CB 3.61Å; L29-W130 HydrophobicContact CD1-CD2 3.94Å; L29-W130 HydrophobicContact CD1-CE3 4.44Å; L29-W130 HydrophobicContact CD1-CG 4.22Å; L29-W130 HydrophobicContact CD1-CZ2 4.22Å; L29-W130 HydrophobicContact CD2-CG 4.47Å
30L91.2Very high79.2Confident46 Ų4676.6 Ų76.624%0.24138%0.376CS..EExtended strand (participates in β ladder)trans-82.1105.6171.3176.160.8000109.2W42 R44 F100 I120L30-W42 HydrophobicContact CD1-CB 3.93Å; L30-W42 HydrophobicContact CG-CB 4.47Å; L30-W42 HydrophobicContact CG-CE3 4.26Å; L30-R44 HydrophobicContact CD1-CB 4.39Å; L30-F100 HydrophobicContact CD2-CD1 3.81Å; L30-F100 HydrophobicContact CD2-CE1 3.68Å; L30-F100 HydrophobicContact CD2-CZ 4.31Å; L30-I120 HydrophobicContact CB-CB 4.2Å; L30-I120 HydrophobicContact CD2-CD1 4.37Å; L30-I120 PolarHBondContact N-O 3.32Å; L30-I120 PolarHBondContact O-N 2.95Å
31K90.7Very high80.1Confident10 Ų1076.2 Ų76.24%0.04337%0.369CS..EExtended strand (participates in β ladder)trans-94138-173.1166.5165.417045.20113L29 W42 K43 F47 Y117 L119L29-K31 PolarHBondContact O-N 3.19Å; K31-W42 WeakPolarHBondContact O-CA 3.47Å; K31-K43 PolarHBondContact N-O 2.83Å; K31-K43 PolarHBondContact O-N 3.36Å; K31-F47 HydrophobicContact CB-CE2 4.16Å; K31-F47 HydrophobicContact CB-CZ 4Å; K31-F47 HydrophobicContact CD-CZ 3.86Å; K31-F47 HydrophobicContact CG-CZ 4.42Å; K31-Y117 HydrophobicContact CD-CD1 3.98Å; K31-Y117 HydrophobicContact CD-CE1 4.28Å; K31-Y117 VanDerWaalsContact CE-CE1 3.44Å; K31-L119 HydrophobicContact CB-CD2 3.81Å; K31-L119 HydrophobicContact CD-CD2 4.2Å; K31-L119 HydrophobicContact CG-CD2 3.98Å
32S88.6Confident80.7Confident6 Ų677.1 Ų77.14%0.04237%0.367CS..PPolyproline II helixtrans-61146.7170.5720000114.8W42 F118S32-W42 VanDerWaalsContact CA-CE3 3.49Å; S32-F118 PolarHBondContact N-O 2.7Å; S32-F118 PolarHBondContact OG-N 3.25Å
33P84.1Confident80.8Confident26 Ų2675.3 Ų75.317%0.16936%0.357CS..PPolyproline II helixtrans-67.8157.4171.929.5-36.3000112.7S40P33-S40 VanDerWaalsContact CB-CB 3.46Å; P33-S40 WeakPolarHBondContact CG-O 3.26Å
34P78.4Confident80.9Confident33 Ų3377 Ų7721%0.21436%0.361CS..PPolyproline II helixtrans-74.5124169.829.2-29.6000111.6K36 R37 S40P34-K36 PolarHBondContact O-N 3.4Å; P34-R37 HydrophobicContact CG-CB 4.21Å; P34-R37 HydrophobicContact CG-CG 3.92Å; P34-R37 PolarHBondContact O-N 3.25Å; P34-R37 VanDerWaalsContact O-N 3.13Å; P34-S40 PolarHBondContact O-OG 3.03Å
35Q66.2Low81Confident123 Ų12377.2 Ų77.258%0.57536%0.357SS*.THydrogen-bonded Turntrans-48.2-28.3179.2-71159.9-82.400115.2R37Q35-R37 VanDerWaalsContact C-N 3.34Å; Q35-R37 PolarHBondContact O-N 3.38Å
36K63.8Low81Confident164 Ų16474.3 Ų74.371%0.71335%0.347SS*.THydrogen-bonded Turntrans-86.816.9-176.5-59.5-178179.81770114.6P34 N114P34-K36 PolarHBondContact O-N 3.4Å; K36-N114 PolarHBondContact NZ-ND2 2.96Å
37R58.5Low81Confident181 Ų18172.3 Ų72.368%0.68333%0.333SS*.  trans-125.5130.4178.4-66.2-167179.9-163.9-0.9112.7P34 Q35 K39 S40P34-R37 HydrophobicContact CG-CB 4.21Å; P34-R37 HydrophobicContact CG-CG 3.92Å; P34-R37 PolarHBondContact O-N 3.25Å; P34-R37 VanDerWaalsContact O-N 3.13Å; Q35-R37 VanDerWaalsContact C-N 3.34Å; Q35-R37 PolarHBondContact O-N 3.38Å; R37-K39 PolarHBondContact O-N 3.49Å; R37-S40 WeakPolarHBondContact O-CB 3.37Å; R37-S40 PolarHBondContact O-OG 2.86Å
38L47.7Very low81Confident188 Ų18871.7 Ų71.798%0.98433%0.327SS*.SBendtrans-69-11.7-176.5-61.8172.1000114.8
39K55.1Low80.9Confident186 Ų18669.2 Ų69.281%0.80932%0.317SS*.SBendtrans-123.392.4171.5-64.8-171178.4-173.20108.5R37R37-K39 PolarHBondContact O-N 3.49Å
40S66.6Low80.8Confident51 Ų5170 Ų7036%0.35732%0.32SS..  trans-118.278.6-164.6-890000112.1P33 P34 R37P33-S40 VanDerWaalsContact CB-CB 3.46Å; P33-S40 WeakPolarHBondContact CG-O 3.26Å; P34-S40 PolarHBondContact O-OG 3.03Å; R37-S40 WeakPolarHBondContact O-CB 3.37Å; R37-S40 PolarHBondContact O-OG 2.86Å
41E80.1Confident80.7Confident119 Ų11970.4 Ų70.456%0.55632%0.32SS*.  trans-92.4145.3174.7-64.4150.5-175.800111.6K43E41-K43 WeakPolarHBondContact OE2-CE 3.21Å; E41-K43 IonicContact OE2-NZ 3.14Å; E41-K43 PolarHBondContact OE2-NZ 3.16Å
42W87.2Confident80.4Confident48 Ų4870.9 Ų70.918%0.18232%0.324CS..  trans-72.9139.7169.2-70.172.4000111L30 K31 S32 W95 V96 F100 F118 I120L30-W42 HydrophobicContact CD1-CB 3.93Å; L30-W42 HydrophobicContact CG-CB 4.47Å; L30-W42 HydrophobicContact CG-CE3 4.26Å; K31-W42 WeakPolarHBondContact O-CA 3.47Å; S32-W42 VanDerWaalsContact CA-CE3 3.49Å; W42-W95 AromaticContact CE2-CZ3 3.74Å; W42-W95 HydrophobicContact CZ2-CE3 4.44Å; W42-W95 AromaticContact CZ2-CZ3 3.72Å; W42-W95 HydrophobicContact CZ2-CZ3 3.72Å; W42-W95 AromaticContact NE1-CH2 3.43Å; W42-W95 AromaticContact NE1-CZ3 3.32Å; W42-W95 VanDerWaalsContact NE1-CZ3 3.32Å; W42-V96 HydrophobicContact CH2-CG1 4.21Å; W42-V96 HydrophobicContact CH2-CG2 3.87Å; W42-V96 HydrophobicContact CZ2-CG2 3.97Å; W42-F100 HydrophobicContact CB-CZ 3.91Å; W42-F100 AromaticContact CD1-CZ 3.77Å; W42-F100 AromaticContact CD2-CE2 3.62Å; W42-F100 HydrophobicContact CD2-CE2 3.62Å; W42-F100 AromaticContact CD2-CZ 3.61Å; W42-F100 HydrophobicContact CD2-CZ 3.61Å; W42-F100 AromaticContact CE2-CE2 3.63Å; W42-F100 AromaticContact CE2-CZ 3.99Å; W42-F100 AromaticContact CE3-CE2 3.98Å; W42-F100 HydrophobicContact CE3-CE2 3.98Å; W42-F100 HydrophobicContact CE3-CZ 4.12Å; W42-F100 HydrophobicContact CG-CE2 4Å; W42-F100 AromaticContact CG-CZ 3.51Å; W42-F100 HydrophobicContact CG-CZ 3.51Å; W42-F100 HydrophobicContact CH2-CE2 4.27Å; W42-F100 AromaticContact CZ2-CE2 3.99Å; W42-F100 HydrophobicContact CZ2-CE2 3.99Å; W42-F100 HydrophobicContact CZ3-CE2 4.28Å; W42-F100 AromaticContact NE1-CE2 3.96Å; W42-F118 HydrophobicContact CH2-CB 3.64Å; W42-F118 HydrophobicContact CH2-CG 4.25Å; W42-F118 HydrophobicContact CZ3-CB 3.94Å; W42-I120 HydrophobicContact CE3-CD1 4.18Å; W42-I120 HydrophobicContact CH2-CD1 4.25Å; W42-I120 HydrophobicContact CZ3-CD1 3.65Å; W42-I120 HydrophobicContact CZ3-CG1 4.03Å
43K90.4Very high80Confident84 Ų8474.8 Ų74.837%0.36535%0.349SS..EExtended strand (participates in β ladder)trans-136.4114.2-168.8-77.9170.8176.8160.70111.6K31 E41 R45K31-K43 PolarHBondContact N-O 2.83Å; K31-K43 PolarHBondContact O-N 3.36Å; E41-K43 WeakPolarHBondContact OE2-CE 3.21Å; E41-K43 IonicContact OE2-NZ 3.14Å; E41-K43 PolarHBondContact OE2-NZ 3.16Å; K43-R45 PolarHBondContact O-N 2.98Å
44R92.2Very high79.8Confident109 Ų10979.6 Ų79.641%0.41137%0.37SS..EExtended strand (participates in β ladder)trans-62.3126.2168.6-167.4173.3-177.5-97.510.4108.5Y28 L29 L30 E122Y28-R44 HydrophobicContact CD1-CG 4.21Å; Y28-R44 VanDerWaalsContact CD1-NH1 3.29Å; Y28-R44 VanDerWaalsContact CG-NH1 3.25Å; L29-R44 WeakPolarHBondContact O-CA 3.44Å; L30-R44 HydrophobicContact CD1-CB 4.39Å; R44-E122 IonicContact CZ-OE1 2.7Å; R44-E122 IonicContact NE-OE1 2.69Å; R44-E122 PolarHBondContact NE-OE1 2.95Å; R44-E122 IonicContact NH2-OE1 2.82Å; R44-E122 PolarHBondContact NH2-OE1 2.98Å; R44-E122 IonicContact NH2-OE2 3.95Å
45R92.5Very high79.7Confident63 Ų6380 Ų8024%0.23837%0.37CS..EExtended strand (participates in β ladder)trans-140.5150.9-176.3-70.3-66.7176.8-99.713.8109.2Y28 L29 K43 F47 Y61 Y62Y28-R45 WeakPolarHBondContact CA-O 3.44Å; L29-R45 PolarHBondContact N-O 3.22Å; L29-R45 PolarHBondContact O-N 3.24Å; K43-R45 PolarHBondContact O-N 2.98Å; R45-F47 HydrophobicContact CB-CD2 4.33Å; R45-F47 HydrophobicContact CB-CE2 3.85Å; R45-F47 WeakPolarHBondContact O-CD2 3.39Å; R45-Y61 HydrophobicContact CG-CD2 4.46Å; R45-Y62 WeakPolarHBondContact CD-O 3.27Å
46F93.1Very high80.5Confident12 Ų1276.9 Ų76.95%0.05336%0.358CS..EExtended strand (participates in β ladder)trans-87.7115.6175.9-167.9-101.6000108.9S26 G27 Y28 V48 Y61 Y62 N64 A65 R68S26-F46 VanDerWaalsContact CB-CZ 3.49Å; S26-F46 WeakPolarHBondContact OG-CZ 3.49Å; G27-F46 CarbonylContact O-C 3.59Å; G27-F46 WeakPolarHBondContact O-CA 3.32Å; G27-F46 WeakPolarHBondContact O-CD2 3.24Å; Y28-F46 HydrophobicContact CD1-CB 4.02Å; Y28-F46 AromaticContact CD1-CD2 3.99Å; Y28-F46 HydrophobicContact CD1-CD2 3.99Å; Y28-F46 AromaticContact CD2-CD2 3.8Å; Y28-F46 HydrophobicContact CD2-CD2 3.8Å; Y28-F46 HydrophobicContact CD2-CE2 4.27Å; Y28-F46 HydrophobicContact CE1-CB 3.8Å; Y28-F46 AromaticContact CE1-CD2 3.93Å; Y28-F46 HydrophobicContact CE1-CD2 3.93Å; Y28-F46 HydrophobicContact CE1-CG 4.34Å; Y28-F46 AromaticContact CE2-CD2 3.73Å; Y28-F46 HydrophobicContact CE2-CD2 3.73Å; Y28-F46 HydrophobicContact CE2-CE2 4.22Å; Y28-F46 AromaticContact CG-CD2 3.93Å; Y28-F46 HydrophobicContact CG-CD2 3.93Å; Y28-F46 AromaticContact CZ-CD2 3.8Å; F46-V48 HydrophobicContact CD1-CG2 3.9Å; F46-V48 HydrophobicContact CE1-CG2 3.7Å; F46-Y61 CarbonylContact O-C 3.56Å; F46-Y61 VanDerWaalsContact O-CA 3.3Å; F46-Y61 WeakPolarHBondContact O-CA 3.4Å; F46-Y62 PolarHBondContact N-O 2.94Å; F46-Y62 PolarHBondContact O-N 2.95Å; F46-N64 VanDerWaalsContact CB-C 3.45Å; F46-N64 WeakPolarHBondContact CB-O 3.29Å; F46-A65 HydrophobicContact CD1-CB 4.1Å; F46-A65 HydrophobicContact CD2-CB 3.62Å; F46-A65 HydrophobicContact CE1-CB 4.1Å; F46-A65 HydrophobicContact CE2-CB 3.62Å; F46-A65 HydrophobicContact CG-CB 3.86Å; F46-A65 HydrophobicContact CZ-CB 3.86Å; F46-R68 VanDerWaalsContact CE1-CZ 3.49Å; F46-R68 VanDerWaalsContact CE1-NH2 3.3Å; F46-R68 VanDerWaalsContact CZ-NH2 3.34Å
47F94.4Very high81.7Confident0 Ų070.5 Ų70.50%033%0.329CS..EExtended strand (participates in β ladder)trans-95.8148.3178.7-76.7-102.6000110.3S26 G27 L29 K31 R45 L59 R60 Y61 I75 L119 W130S26-F47 WeakPolarHBondContact CA-O 3.45Å; S26-F47 WeakPolarHBondContact CB-O 3.37Å; G27-F47 PolarHBondContact N-O 2.9Å; G27-F47 VanDerWaalsContact N-O 3.1Å; G27-F47 PolarHBondContact O-N 3.48Å; L29-F47 HydrophobicContact CB-CD2 3.67Å; L29-F47 HydrophobicContact CB-CE2 3.79Å; L29-F47 HydrophobicContact CD1-CB 4.23Å; L29-F47 HydrophobicContact CD1-CD2 3.93Å; L29-F47 HydrophobicContact CD1-CE2 4.45Å; L29-F47 HydrophobicContact CD1-CG 3.99Å; L29-F47 HydrophobicContact CG-CD2 4.08Å; K31-F47 HydrophobicContact CB-CE2 4.16Å; K31-F47 HydrophobicContact CB-CZ 4Å; K31-F47 HydrophobicContact CD-CZ 3.86Å; K31-F47 HydrophobicContact CG-CZ 4.42Å; R45-F47 HydrophobicContact CB-CD2 4.33Å; R45-F47 HydrophobicContact CB-CE2 3.85Å; R45-F47 WeakPolarHBondContact O-CD2 3.39Å; F47-L59 HydrophobicContact CB-CD1 4.38Å; F47-L59 HydrophobicContact CD1-CD1 3.97Å; F47-L59 HydrophobicContact CD1-CD2 4.38Å; F47-L59 HydrophobicContact CD1-CG 4.14Å; F47-R60 WeakPolarHBondContact CA-O 3.45Å; F47-Y61 HydrophobicContact CD1-CD1 4.5Å; F47-Y61 AromaticContact CE1-CD1 3.83Å; F47-Y61 HydrophobicContact CE1-CD1 3.83Å; F47-Y61 HydrophobicContact CE1-CG 4.04Å; F47-Y61 HydrophobicContact CZ-CD1 4.23Å; F47-Y61 HydrophobicContact CZ-CG 4.16Å; F47-I75 HydrophobicContact CE1-CD1 4.05Å; F47-L119 HydrophobicContact CE1-CD1 4.37Å; F47-L119 HydrophobicContact CE1-CD2 4.07Å; F47-L119 HydrophobicContact CE2-CD2 4.19Å; F47-L119 HydrophobicContact CZ-CD2 3.58Å; F47-W130 HydrophobicContact CB-CH2 3.6Å; F47-W130 HydrophobicContact CB-CZ2 3.96Å; F47-W130 HydrophobicContact CB-CZ3 4.29Å
48V93.4Very high83.1Confident0 Ų066 Ų660%032%0.316CS..EExtended strand (participates in β ladder)trans-139.1124.6173.1-1700000109.4E23 R25 F46 Y50 R60 Y62E23-V48 VanDerWaalsContact CD-CG1 3.47Å; E23-V48 HydrophobicContact CG-CG1 3.6Å; E23-V48 WeakPolarHBondContact OE2-CG1 3.18Å; R25-V48 WeakPolarHBondContact O-CA 3.4Å; F46-V48 HydrophobicContact CD1-CG2 3.9Å; F46-V48 HydrophobicContact CE1-CG2 3.7Å; V48-Y50 HydrophobicContact CB-CD2 4.34Å; V48-Y50 HydrophobicContact CB-CE2 3.73Å; V48-Y50 HydrophobicContact CG1-CD1 4.16Å; V48-Y50 HydrophobicContact CG1-CD2 3.98Å; V48-Y50 HydrophobicContact CG1-CE1 3.67Å; V48-Y50 HydrophobicContact CG1-CE2 3.49Å; V48-Y50 VanDerWaalsContact CG1-CE2 3.49Å; V48-Y50 HydrophobicContact CG1-CG 4.29Å; V48-R60 PolarHBondContact N-O 3.43Å; V48-R60 PolarHBondContact O-N 3.05Å; V48-Y62 HydrophobicContact CB-CE2 4.2Å; V48-Y62 HydrophobicContact CG2-CD2 3.93Å; V48-Y62 HydrophobicContact CG2-CE2 3.75Å
49L92.4Very high85.2Confident0 Ų057 Ų570%027%0.269CS..EExtended strand (participates in β ladder)trans-95.1111.3170.3-179.861.5000109.2I24 R25 Y57 L59 M77 W130 D133 L134 A137I24-L49 HydrophobicContact CB-CD2 4.32Å; I24-L49 HydrophobicContact CB-CG 4.31Å; I24-L49 HydrophobicContact CG2-CD2 4.25Å; I24-L49 PolarHBondContact N-O 3.15Å; R25-L49 PolarHBondContact O-N 2.96Å; L49-Y57 HydrophobicContact CD1-CD1 4.27Å; L49-Y57 HydrophobicContact CG-CD1 4.46Å; L49-L59 HydrophobicContact CB-CD1 4.29Å; L49-L59 HydrophobicContact CD1-CB 4.29Å; L49-M77 HydrophobicContact CD1-SD 4.48Å; L49-W130 HydrophobicContact CB-CZ3 4.2Å; L49-D133 HydrophobicContact CD2-CB 3.91Å; L49-L134 HydrophobicContact CD1-CD2 4.07Å; L49-L134 HydrophobicContact CD2-CD2 4.12Å; L49-A137 HydrophobicContact CD2-CB 4.45Å
50Y90.4Very high86.9Confident21 Ų2150.9 Ų50.98%0.08224%0.241CC..EExtended strand (participates in β ladder)trans-96.4142.2174.1-66-72.7000111.2I18 Q22 E23 V48 Y57 Q58 R60I18-Y50 HydrophobicContact CD1-CD2 4.19Å; I18-Y50 HydrophobicContact CD1-CE1 4.13Å; I18-Y50 HydrophobicContact CD1-CE2 3.74Å; I18-Y50 HydrophobicContact CG2-CD1 4.1Å; I18-Y50 HydrophobicContact CG2-CE1 4.39Å; I18-Y50 HydrophobicContact CG2-CG 4.41Å; Q22-Y50 CarbonylContact O-C 3.42Å; Q22-Y50 WeakPolarHBondContact O-CA 3.5Å; E23-Y50 HydrophobicContact CB-CD1 4.43Å; E23-Y50 HydrophobicContact CB-CE1 4.25Å; V48-Y50 HydrophobicContact CB-CD2 4.34Å; V48-Y50 HydrophobicContact CB-CE2 3.73Å; V48-Y50 HydrophobicContact CG1-CD1 4.16Å; V48-Y50 HydrophobicContact CG1-CD2 3.98Å; V48-Y50 HydrophobicContact CG1-CE1 3.67Å; V48-Y50 HydrophobicContact CG1-CE2 3.49Å; V48-Y50 VanDerWaalsContact CG1-CE2 3.49Å; V48-Y50 HydrophobicContact CG1-CG 4.29Å; Y50-Y57 CarbonylContact O-C 3.58Å; Y50-Y57 WeakPolarHBondContact O-CA 3.44Å; Y50-Q58 PolarHBondContact N-O 3.37Å; Y50-Q58 PolarHBondContact O-N 2.99Å; Y50-R60 HydrophobicContact CD2-CB 4.47Å; Y50-R60 HydrophobicContact CD2-CG 4.18Å; Y50-R60 HydrophobicContact CE2-CB 4.31Å; Y50-R60 HydrophobicContact CE2-CG 4.36Å
51K89.7Confident88.2Confident54 Ų5450 Ų5024%0.23523%0.229CC..EExtended strand (participates in β ladder)trans-116.3117.5169.7175.5178.2-177.6138.60109.3A21 Q22 I24 N55 Y57A21-K51 CarbonylContact C-O 3.47Å; A21-K51 VanDerWaalsContact CA-O 3.25Å; A21-K51 WeakPolarHBondContact CA-O 3.44Å; A21-K51 WeakPolarHBondContact CB-O 3.42Å; Q22-K51 PolarHBondContact N-O 2.92Å; Q22-K51 PolarHBondContact O-N 3.2Å; I24-K51 HydrophobicContact CD1-CB 3.79Å; I24-K51 HydrophobicContact CD1-CD 4Å; I24-K51 HydrophobicContact CG1-CB 3.63Å; K51-N55 WeakPolarHBondContact CE-OD1 3.28Å; K51-N55 PolarHBondContact NZ-OD1 3.01Å; K51-Y57 HydrophobicContact CB-CD1 3.98Å; K51-Y57 HydrophobicContact CB-CE1 3.84Å; K51-Y57 HydrophobicContact CD-CE1 3.96Å; K51-Y57 HydrophobicContact CD-CE2 4.39Å; K51-Y57 HydrophobicContact CG-CD1 4.35Å; K51-Y57 HydrophobicContact CG-CE1 3.95Å; K51-Y57 HydrophobicContact CG-CE2 4.28Å; K51-Y57 PolarHBondContact NZ-OH 2.84Å
52S84.3Confident88.7Confident21 Ų2144.4 Ų44.415%0.14720%0.204CC..  trans-71.1156.9171.363.40000111.5E54 N55 D56S52-E54 WeakPolarHBondContact CB-OE2 3.47Å; S52-E54 PolarHBondContact O-N 2.96Å; S52-N55 WeakPolarHBondContact O-CA 3.48Å; S52-N55 PolarHBondContact O-N 3.22Å; S52-N55 PolarHBondContact OG-N 3.32Å; S52-D56 WeakPolarHBondContact CB-O 3.37Å; S52-D56 PolarHBondContact N-O 2.81Å; S52-D56 WeakPolarHBondContact OG-CA 3.28Å; S52-D56 WeakPolarHBondContact OG-CB 3.42Å; S52-D56 PolarHBondContact OG-N 3.33Å; S52-D56 PolarHBondContact OG-O 3.16Å
53P80.1Confident88.8Confident87 Ų8749 Ų4957%0.56522%0.221SC*.THydrogen-bonded Turntrans-64.9-23.9173.126.6-32.2000112.1N20 N55N20-P53 HydrophobicContact CB-CG 4.04Å; P53-N55 PolarHBondContact O-N 3.15Å
54E79.8Confident88.8Confident127 Ų12748.1 Ų48.159%0.59322%0.22SC*.THydrogen-bonded Turntrans-72.73.2169.3-58.474.6-161.200113.4S52 D56S52-E54 WeakPolarHBondContact CB-OE2 3.47Å; S52-E54 PolarHBondContact O-N 2.96Å; E54-D56 PolarHBondContact O-N 3.18Å
55N75.7Confident88.5Confident43 Ų4344 Ų4423%0.2321%0.209CC..SBendtrans63.815.2178.6-163.457.7000114.8K51 S52 P53 Y57 N140K51-N55 WeakPolarHBondContact CE-OD1 3.28Å; K51-N55 PolarHBondContact NZ-OD1 3.01Å; S52-N55 WeakPolarHBondContact O-CA 3.48Å; S52-N55 PolarHBondContact O-N 3.22Å; S52-N55 PolarHBondContact OG-N 3.32Å; P53-N55 PolarHBondContact O-N 3.15Å; N55-Y57 VanDerWaalsContact O-CD2 3.28Å; N55-Y57 WeakPolarHBondContact O-CD2 3.26Å; N55-Y57 WeakPolarHBondContact O-CE2 3.34Å; N55-N140 PolarHBondContact ND2-O 3.24Å
56D83.3Confident88Confident57 Ų5747.3 Ų47.331%0.30523%0.228SC..  trans-78.6134.9162.7-64.7-47.9000110S52 E54 K144S52-D56 WeakPolarHBondContact CB-O 3.37Å; S52-D56 PolarHBondContact N-O 2.81Å; S52-D56 WeakPolarHBondContact OG-CA 3.28Å; S52-D56 WeakPolarHBondContact OG-CB 3.42Å; S52-D56 PolarHBondContact OG-N 3.33Å; S52-D56 PolarHBondContact OG-O 3.16Å; E54-D56 PolarHBondContact O-N 3.18Å; D56-K144 IonicContact OD1-NZ 3.81Å; D56-K144 PolarHBondContact OD1-NZ 3.37Å; D56-K144 IonicContact OD2-NZ 3.75Å; D56-K144 PolarHBondContact OD2-NZ 3.22Å
57Y88.1Confident87.3Confident29 Ų2949.3 Ų49.311%0.11424%0.239CC..EExtended strand (participates in β ladder)trans-106.6146.9-177.1-72.4-105.8000112.1I24 L49 Y50 K51 N55 M77 A137 N140I24-Y57 HydrophobicContact CG1-CE1 4.4Å; L49-Y57 HydrophobicContact CD1-CD1 4.27Å; L49-Y57 HydrophobicContact CG-CD1 4.46Å; Y50-Y57 CarbonylContact O-C 3.58Å; Y50-Y57 WeakPolarHBondContact O-CA 3.44Å; K51-Y57 HydrophobicContact CB-CD1 3.98Å; K51-Y57 HydrophobicContact CB-CE1 3.84Å; K51-Y57 HydrophobicContact CD-CE1 3.96Å; K51-Y57 HydrophobicContact CD-CE2 4.39Å; K51-Y57 HydrophobicContact CG-CD1 4.35Å; K51-Y57 HydrophobicContact CG-CE1 3.95Å; K51-Y57 HydrophobicContact CG-CE2 4.28Å; K51-Y57 PolarHBondContact NZ-OH 2.84Å; N55-Y57 VanDerWaalsContact O-CD2 3.28Å; N55-Y57 WeakPolarHBondContact O-CD2 3.26Å; N55-Y57 WeakPolarHBondContact O-CE2 3.34Å; Y57-M77 WeakPolarHBondContact O-CG 3.22Å; Y57-A137 HydrophobicContact CD1-CB 3.32Å; Y57-A137 HydrophobicContact CD2-CB 4.05Å; Y57-A137 HydrophobicContact CE1-CB 3.66Å; Y57-A137 HydrophobicContact CE2-CB 4.37Å; Y57-A137 HydrophobicContact CG-CB 3.51Å; Y57-N140 HydrophobicContact CE2-CB 4.41Å
58Q88.8Confident86.6Confident87 Ų8753.6 Ų53.641%0.40726%0.255SS..EExtended strand (participates in β ladder)trans-138.5117.5178.7-62.1-174.410.900111.9Y50Y50-Q58 PolarHBondContact N-O 3.37Å; Y50-Q58 PolarHBondContact O-N 2.99Å
59L91.6Very high85.7Confident0 Ų058.5 Ų58.50%029%0.285CS..EExtended strand (participates in β ladder)trans-91.1106.5172.9-179.562.9000109.9F47 L49 A74 I75 M77 L110 W130 L134F47-L59 HydrophobicContact CB-CD1 4.38Å; F47-L59 HydrophobicContact CD1-CD1 3.97Å; F47-L59 HydrophobicContact CD1-CD2 4.38Å; F47-L59 HydrophobicContact CD1-CG 4.14Å; L49-L59 HydrophobicContact CB-CD1 4.29Å; L49-L59 HydrophobicContact CD1-CB 4.29Å; L59-A74 CarbonylContact O-C 3.57Å; L59-A74 WeakPolarHBondContact O-CA 3.4Å; L59-I75 HydrophobicContact CB-CB 4.26Å; L59-I75 HydrophobicContact CD2-CB 4.16Å; L59-I75 HydrophobicContact CD2-CD1 3.81Å; L59-I75 HydrophobicContact CD2-CG1 4.49Å; L59-I75 HydrophobicContact CG-CB 4.39Å; L59-I75 HydrophobicContact CG-CD1 4.43Å; L59-I75 PolarHBondContact O-N 3.38Å; L59-M77 HydrophobicContact CB-SD 3.83Å; L59-L110 HydrophobicContact CD2-CD2 4.34Å; L59-W130 HydrophobicContact CD1-CZ3 3.87Å; L59-L134 HydrophobicContact CD1-CD2 4.34Å; L59-L134 HydrophobicContact CD2-CD1 4.4Å; L59-L134 HydrophobicContact CD2-CD2 3.88Å; L59-L134 HydrophobicContact CG-CD2 4.48Å
60R91.9Very high85.1Confident57 Ų5762.5 Ų62.522%0.21531%0.306CS..EExtended strand (participates in β ladder)trans-103.6154.3178.1-61.5-173.8-178.3-167.22.1110.6F47 V48 Y50 Y62 A74F47-R60 WeakPolarHBondContact CA-O 3.45Å; V48-R60 PolarHBondContact N-O 3.43Å; V48-R60 PolarHBondContact O-N 3.05Å; Y50-R60 HydrophobicContact CD2-CB 4.47Å; Y50-R60 HydrophobicContact CD2-CG 4.18Å; Y50-R60 HydrophobicContact CE2-CB 4.31Å; Y50-R60 HydrophobicContact CE2-CG 4.36Å; R60-Y62 HydrophobicContact CB-CE2 3.84Å; R60-A74 HydrophobicContact CG-CB 4.32Å
61Y92.3Very high84.9Confident31 Ų3164.3 Ų64.312%0.12232%0.32CS..EExtended strand (participates in β ladder)trans-136.6142.717264.9-98.1000113.4R45 F46 F47 P71 L72 G73 I75R45-Y61 HydrophobicContact CG-CD2 4.46Å; F46-Y61 CarbonylContact O-C 3.56Å; F46-Y61 VanDerWaalsContact O-CA 3.3Å; F46-Y61 WeakPolarHBondContact O-CA 3.4Å; F47-Y61 HydrophobicContact CD1-CD1 4.5Å; F47-Y61 AromaticContact CE1-CD1 3.83Å; F47-Y61 HydrophobicContact CE1-CD1 3.83Å; F47-Y61 HydrophobicContact CE1-CG 4.04Å; F47-Y61 HydrophobicContact CZ-CD1 4.23Å; F47-Y61 HydrophobicContact CZ-CG 4.16Å; Y61-P71 CarbonylContact O-C 3.54Å; Y61-L72 HydrophobicContact CD2-CB 3.92Å; Y61-L72 VanDerWaalsContact CE2-C 3.46Å; Y61-L72 HydrophobicContact CE2-CB 3.76Å; Y61-L72 WeakPolarHBondContact CE2-O 3.38Å; Y61-L72 PolarHBondContact O-N 3.08Å; Y61-L72 PolarHBondContact OH-O 3.02Å; Y61-G73 PolarHBondContact N-O 3.43Å; Y61-G73 PolarHBondContact O-N 3.28Å; Y61-I75 HydrophobicContact CD1-CG1 4.47Å; Y61-I75 HydrophobicContact CE1-CG1 4.34Å
62Y91.6Very high84.7Confident3 Ų365.4 Ų65.41%0.01233%0.328CS..EExtended strand (participates in β ladder)trans-122.8169.2-169.3-61.2-86.2000110.6R45 F46 V48 R60 D67 R68 P71R45-Y62 WeakPolarHBondContact CD-O 3.27Å; F46-Y62 PolarHBondContact N-O 2.94Å; F46-Y62 PolarHBondContact O-N 2.95Å; V48-Y62 HydrophobicContact CB-CE2 4.2Å; V48-Y62 HydrophobicContact CG2-CD2 3.93Å; V48-Y62 HydrophobicContact CG2-CE2 3.75Å; R60-Y62 HydrophobicContact CB-CE2 3.84Å; Y62-D67 VanDerWaalsContact CD1-O 3.28Å; Y62-D67 WeakPolarHBondContact CD1-O 3.17Å; Y62-R68 HydrophobicContact CE1-CB 4.43Å; Y62-R68 WeakPolarHBondContact CE1-O 3.37Å; Y62-P71 HydrophobicContact CD1-CB 4.18Å; Y62-P71 HydrophobicContact CE1-CB 3.68Å; Y62-P71 HydrophobicContact CE1-CG 4.34Å
63R89.3Confident84.8Confident144 Ų14465.4 Ų65.454%0.54333%0.331SS..SBendtrans-64-56.6177.4-167.2-167.1-67-127.1-1.9110.3D67 L72R63-D67 IonicContact NE-OD2 3.49Å; R63-L72 HydrophobicContact CB-CD1 3.9Å; R63-L72 HydrophobicContact CG-CD1 4.43Å
64N89.4Confident85.2Confident65 Ų6564.1 Ų64.135%0.34833%0.328SS..SBendtrans-133.6-178.1178.8-56.810.1000109.8F46 E66F46-N64 VanDerWaalsContact CB-C 3.45Å; F46-N64 WeakPolarHBondContact CB-O 3.29Å; N64-E66 VanDerWaalsContact C-N 3.3Å; N64-E66 WeakPolarHBondContact CB-OE2 3.42Å; N64-E66 PolarHBondContact ND2-OE2 3.06Å
65A86.5Confident85.6Confident23 Ų2358.2 Ų58.219%0.1930%0.301CS..SBendtrans-74.7-17.1175.200000113.9Y28 F46 R68Y28-A65 HydrophobicContact CE2-CB 4.25Å; Y28-A65 PolarHBondContact OH-N 2.92Å; F46-A65 HydrophobicContact CD1-CB 4.1Å; F46-A65 HydrophobicContact CD2-CB 3.62Å; F46-A65 HydrophobicContact CE1-CB 4.1Å; F46-A65 HydrophobicContact CE2-CB 3.62Å; F46-A65 HydrophobicContact CG-CB 3.86Å; F46-A65 HydrophobicContact CZ-CB 3.86Å; A65-R68 VanDerWaalsContact O-CG 3.26Å; A65-R68 WeakPolarHBondContact O-CG 3.32Å; A65-R68 PolarHBondContact O-NE 3.37Å
66E81.8Confident86Confident133 Ų13359.3 Ų59.362%0.62131%0.306SS*.SBendtrans-90.1-38.2-178.5-42.876-116.800112Y28 N64 R68Y28-E66 PolarHBondContact OH-OE1 3.49Å; N64-E66 VanDerWaalsContact C-N 3.3Å; N64-E66 WeakPolarHBondContact CB-OE2 3.42Å; N64-E66 PolarHBondContact ND2-OE2 3.06Å; E66-R68 PolarHBondContact O-N 2.81Å
67D78.9Confident86.1Confident54 Ų5457 Ų5729%0.28929%0.294SS..  trans-83.558.8178.5-175.117.1000111.2Y62 R63 V69Y62-D67 VanDerWaalsContact CD1-O 3.28Å; Y62-D67 WeakPolarHBondContact CD1-O 3.17Å; R63-D67 IonicContact NE-OD2 3.49Å; D67-V69 VanDerWaalsContact C-N 3.28Å
68R78.8Confident85.7Confident90 Ų9059.2 Ų59.234%0.3431%0.311SS..  trans-81.6-3.1176.9-58.8-166.8-172.6-1544.3114E23 F46 Y62 A65 E66E23-R68 IonicContact OE1-CZ 2.66Å; E23-R68 IonicContact OE1-NH1 3.78Å; E23-R68 PolarHBondContact OE1-NH1 3.36Å; E23-R68 IonicContact OE1-NH2 2.65Å; E23-R68 IonicContact OE2-NH1 3.6Å; E23-R68 PolarHBondContact OE2-NH1 3.41Å; F46-R68 VanDerWaalsContact CE1-CZ 3.49Å; F46-R68 VanDerWaalsContact CE1-NH2 3.3Å; F46-R68 VanDerWaalsContact CZ-NH2 3.34Å; Y62-R68 HydrophobicContact CE1-CB 4.43Å; Y62-R68 WeakPolarHBondContact CE1-O 3.37Å; A65-R68 VanDerWaalsContact O-CG 3.26Å; A65-R68 WeakPolarHBondContact O-CG 3.32Å; A65-R68 PolarHBondContact O-NE 3.37Å; E66-R68 PolarHBondContact O-N 2.81Å
69V75Confident85.4Confident102 Ų10260.1 Ų60.162%0.61832%0.315SS*.SBendtrans-71.3-44.4-177.5-176.30000111D67D67-V69 VanDerWaalsContact C-N 3.28Å
70N80.4Confident85.2Confident85 Ų8560.6 Ų60.646%0.45532%0.317SS..SBendtrans-118.5102.2-173.9-69.1-64.4000111.3L72N70-L72 PolarHBondContact O-N 2.86Å
71P85Confident84.7Confident58 Ų5860 Ų6038%0.37732%0.322SS..  trans-65.2129.4175.726.2-32.3000110.8Y61 Y62 G73Y61-P71 CarbonylContact O-C 3.54Å; Y62-P71 HydrophobicContact CD1-CB 4.18Å; Y62-P71 HydrophobicContact CE1-CB 3.68Å; Y62-P71 HydrophobicContact CE1-CG 4.34Å; P71-G73 PolarHBondContact O-N 3.12Å
72L86.1Confident84.3Confident78 Ų7860.2 Ų60.241%0.40833%0.325SS..SBendtrans-72.7-6.9172.2-66.8-179000112.7Y61 R63 N70Y61-L72 HydrophobicContact CD2-CB 3.92Å; Y61-L72 VanDerWaalsContact CE2-C 3.46Å; Y61-L72 HydrophobicContact CE2-CB 3.76Å; Y61-L72 WeakPolarHBondContact CE2-O 3.38Å; Y61-L72 PolarHBondContact O-N 3.08Å; Y61-L72 PolarHBondContact OH-O 3.02Å; R63-L72 HydrophobicContact CB-CD1 3.9Å; R63-L72 HydrophobicContact CG-CD1 4.43Å; N70-L72 PolarHBondContact O-N 2.86Å
73G87.1Confident84.1Confident20 Ų2060.1 Ų60.121%0.20632%0.324CS..EExtended strand (participates in β ladder)trans167.7170.7167.300000111.5Y61 P71Y61-G73 PolarHBondContact N-O 3.43Å; Y61-G73 PolarHBondContact O-N 3.28Å; P71-G73 PolarHBondContact O-N 3.12Å
74A88.6Confident83.8Confident61 Ų6155.5 Ų55.550%0.50431%0.307SS..EExtended strand (participates in β ladder)trans-120.3155166.300000109.4L59 R60L59-A74 CarbonylContact O-C 3.57Å; L59-A74 WeakPolarHBondContact O-CA 3.4Å; R60-A74 HydrophobicContact CG-CB 4.32Å
75I88.4Confident83.2Confident2 Ų252.9 Ų52.91%0.0130%0.296CS..EExtended strand (participates in β ladder)trans-108.3112164.8-60.4172.3000104.7F47 L59 Y61 M77 I80 L110 A112 Y117F47-I75 HydrophobicContact CE1-CD1 4.05Å; L59-I75 HydrophobicContact CB-CB 4.26Å; L59-I75 HydrophobicContact CD2-CB 4.16Å; L59-I75 HydrophobicContact CD2-CD1 3.81Å; L59-I75 HydrophobicContact CD2-CG1 4.49Å; L59-I75 HydrophobicContact CG-CB 4.39Å; L59-I75 HydrophobicContact CG-CD1 4.43Å; L59-I75 PolarHBondContact O-N 3.38Å; Y61-I75 HydrophobicContact CD1-CG1 4.47Å; Y61-I75 HydrophobicContact CE1-CG1 4.34Å; I75-M77 PolarHBondContact O-N 2.93Å; I75-I80 HydrophobicContact CG2-CD1 4.11Å; I75-I80 HydrophobicContact CG2-CG1 4.22Å; I75-L110 HydrophobicContact CD1-CD1 4.44Å; I75-L110 HydrophobicContact CG2-CD1 3.97Å; I75-A112 HydrophobicContact CG2-CB 4.02Å; I75-Y117 HydrophobicContact CD1-CD1 3.47Å; I75-Y117 VanDerWaalsContact CD1-CD1 3.47Å; I75-Y117 HydrophobicContact CD1-CE1 3.39Å; I75-Y117 HydrophobicContact CD1-CG 4.32Å; I75-Y117 HydrophobicContact CG1-CD1 4.16Å; I75-Y117 HydrophobicContact CG1-CE1 3.56Å
76D83.3Confident82.8Confident66 Ų6653.6 Ų53.635%0.35330%0.297SS..EExtended strand (participates in β ladder)trans-71.4113.5179-179.1-9.1000109.2T78 Q79D76-T78 PolarHBondContact O-N 3.2Å; D76-T78 VanDerWaalsContact OD1-CB 3.32Å; D76-T78 WeakPolarHBondContact OD1-CB 3.37Å; D76-T78 WeakPolarHBondContact OD1-CG2 3.3Å; D76-T78 PolarHBondContact OD1-N 2.84Å; D76-T78 PolarHBondContact OD1-OG1 2.7Å; D76-T78 PolarHBondContact OD2-OG1 2.82Å; D76-T78 VanDerWaalsContact OD2-OG1 3.11Å; D76-Q79 HydrophobicContact CB-CB 4.33Å; D76-Q79 HydrophobicContact CB-CG 4Å; D76-Q79 PolarHBondContact O-N 2.74Å; D76-Q79 VanDerWaalsContact O-N 3.1Å; D76-Q79 PolarHBondContact OD2-NE2 3.2Å
77M84.4Confident82.6Confident10 Ų1047.6 Ų47.65%0.04927%0.269CS..G310 helixtrans-61.5-26.6-179.2-58.9-60.7-69.600111.8L49 Y57 L59 I75 Q79 I80 L134 A137 L138L49-M77 HydrophobicContact CD1-SD 4.48Å; Y57-M77 WeakPolarHBondContact O-CG 3.22Å; L59-M77 HydrophobicContact CB-SD 3.83Å; I75-M77 PolarHBondContact O-N 2.93Å; M77-Q79 PolarHBondContact O-N 3.13Å; M77-I80 HydrophobicContact CE-CD1 3.92Å; M77-I80 PolarHBondContact O-N 3.14Å; M77-I80 HydrophobicContact SD-CD1 3.56Å; M77-I80 VanDerWaalsContact SD-CD1 3.56Å; M77-L134 HydrophobicContact CE-CD2 3.78Å; M77-L134 HydrophobicContact SD-CD2 4.17Å; M77-A137 HydrophobicContact CE-CB 3.69Å; M77-L138 HydrophobicContact CE-CD2 4.14Å; M77-L138 HydrophobicContact CE-CG 4.12Å; M77-L138 WeakPolarHBondContact O-CD2 3.29Å
78T80.3Confident82.3Confident75 Ų7550.1 Ų50.146%0.4628%0.279SS..G310 helixtrans-68.9-25.2178.672.70000112.8D76 R141D76-T78 PolarHBondContact O-N 3.2Å; D76-T78 VanDerWaalsContact OD1-CB 3.32Å; D76-T78 WeakPolarHBondContact OD1-CB 3.37Å; D76-T78 WeakPolarHBondContact OD1-CG2 3.3Å; D76-T78 PolarHBondContact OD1-N 2.84Å; D76-T78 PolarHBondContact OD1-OG1 2.7Å; D76-T78 PolarHBondContact OD2-OG1 2.82Å; D76-T78 VanDerWaalsContact OD2-OG1 3.11Å; T78-R141 PolarHBondContact O-NH1 2.77Å
79Q82.8Confident81.8Confident106 Ų10654.2 Ų54.250%0.49530%0.302SS..G310 helixtrans-94.4-3.9-178.4-60.1178.535.300113.5D76 M77 S81 A112 G113D76-Q79 HydrophobicContact CB-CB 4.33Å; D76-Q79 HydrophobicContact CB-CG 4Å; D76-Q79 PolarHBondContact O-N 2.74Å; D76-Q79 VanDerWaalsContact O-N 3.1Å; D76-Q79 PolarHBondContact OD2-NE2 3.2Å; M77-Q79 PolarHBondContact O-N 3.13Å; Q79-S81 PolarHBondContact O-N 2.8Å; Q79-A112 CarbonylContact O-C 3.6Å; Q79-A112 WeakPolarHBondContact O-CA 3.39Å; Q79-G113 PolarHBondContact O-N 2.91Å
80I86.6Confident81.8Confident10 Ų1051.6 Ų51.65%0.05128%0.283CS..EExtended strand (participates in β ladder)trans-69.5118.1178.5-62.8-179.8000109.1I75 M77 L82 R111 A112 L138I75-I80 HydrophobicContact CG2-CD1 4.11Å; I75-I80 HydrophobicContact CG2-CG1 4.22Å; M77-I80 HydrophobicContact CE-CD1 3.92Å; M77-I80 PolarHBondContact O-N 3.14Å; M77-I80 HydrophobicContact SD-CD1 3.56Å; M77-I80 VanDerWaalsContact SD-CD1 3.56Å; I80-L82 WeakPolarHBondContact CG2-O 3.29Å; I80-R111 CarbonylContact C-O 3.5Å; I80-R111 VanDerWaalsContact CA-O 3.32Å; I80-R111 WeakPolarHBondContact CA-O 3.34Å; I80-A112 HydrophobicContact CG1-CB 4.28Å; I80-L138 HydrophobicContact CB-CD1 4.43Å; I80-L138 HydrophobicContact CB-CD2 4.12Å; I80-L138 HydrophobicContact CG2-CD1 3.93Å
81S82.7Confident81.7Confident44 Ų4456.1 Ų56.131%0.30830%0.301SS..EExtended strand (participates in β ladder)trans-112.2-7.8-174.184.60000113.9Q79 R111 L286Q79-S81 PolarHBondContact O-N 2.8Å; S81-R111 PolarHBondContact N-O 3.49Å; S81-L286 WeakPolarHBondContact O-CD1 3.41Å
82L83.4Confident81.2Confident35 Ų3556.8 Ų56.818%0.18330%0.298CS..EExtended strand (participates in β ladder)trans-153.8143.7170.2-64.1175.8000108.9I80 Y84 Y109 L110 R111 L286I80-L82 WeakPolarHBondContact CG2-O 3.29Å; L82-Y84 HydrophobicContact CB-CE2 4.33Å; L82-Y84 HydrophobicContact CD1-CE2 4.26Å; L82-Y84 HydrophobicContact CD2-CE2 4.26Å; L82-Y109 HydrophobicContact CB-CE1 3.9Å; L82-Y109 HydrophobicContact CD1-CE1 3.98Å; L82-L110 CarbonylContact O-C 3.56Å; L82-L110 VanDerWaalsContact O-CA 3.28Å; L82-L110 WeakPolarHBondContact O-CA 3.32Å; L82-R111 HydrophobicContact CB-CB 3.77Å; L82-R111 HydrophobicContact CD1-CB 4.25Å; L82-R111 HydrophobicContact CG-CB 4.18Å; L82-R111 PolarHBondContact O-N 2.86Å; L82-L286 HydrophobicContact CD2-CD1 4.47Å
83L87.5Confident80.9Confident1 Ų153.3 Ų53.31%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-143.1124.7169.9177.468.2000108.3V108 Y109 L110 F131 L134 F135 L138 I290L83-V108 HydrophobicContact CD1-CG1 3.71Å; L83-Y109 WeakPolarHBondContact CA-O 3.35Å; L83-L110 HydrophobicContact CD1-CB 3.91Å; L83-F131 HydrophobicContact CD1-CD2 4.32Å; L83-F131 HydrophobicContact CD2-CD2 4.11Å; L83-F131 HydrophobicContact CD2-CE2 4.18Å; L83-F131 HydrophobicContact CG-CD2 3.86Å; L83-F131 HydrophobicContact CG-CE2 3.9Å; L83-L134 HydrophobicContact CD1-CB 4.4Å; L83-L134 HydrophobicContact CD1-CD1 4.45Å; L83-L134 HydrophobicContact CD2-CB 3.91Å; L83-F135 HydrophobicContact CD2-CB 4.09Å; L83-L138 HydrophobicContact CB-CD1 4.27Å; L83-L138 HydrophobicContact CD2-CD1 3.87Å; L83-I290 HydrophobicContact CB-CD1 4.16Å
84Y82.7Confident80.5Confident47 Ų4757.8 Ų57.818%0.18430%0.295CS..EExtended strand (participates in β ladder)trans-137.8124.9178.2-64.3-56.9000110.4L82 V108 Y109 S289 V293L82-Y84 HydrophobicContact CB-CE2 4.33Å; L82-Y84 HydrophobicContact CD1-CE2 4.26Å; L82-Y84 HydrophobicContact CD2-CE2 4.26Å; Y84-V108 WeakPolarHBondContact O-CA 3.4Å; Y84-Y109 AromaticContact CD2-CD1 3.69Å; Y84-Y109 HydrophobicContact CD2-CD1 3.69Å; Y84-Y109 HydrophobicContact CD2-CE1 4.07Å; Y84-Y109 HydrophobicContact CE2-CE1 4.5Å; Y84-Y109 HydrophobicContact CG-CD1 4.5Å; Y84-Y109 PolarHBondContact N-O 3.14Å; Y84-Y109 PolarHBondContact O-N 2.76Å; Y84-S289 WeakPolarHBondContact CE1-OG 3.2Å; Y84-S289 PolarHBondContact OH-OG 2.89Å; Y84-V293 HydrophobicContact CD1-CG2 4.38Å; Y84-V293 HydrophobicContact CE1-CG2 4.47Å
85G77.8Confident80.1Confident11 Ų1161.6 Ų61.611%0.11330%0.297CS..EExtended strand (participates in β ladder)trans-74.8152.6151.700000109.1F131G85-F131 VanDerWaalsContact N-CE2 3.28Å
86N77.8Confident79.7Confident38 Ų3861.7 Ų61.720%0.20330%0.297CS..  trans50.677.2179.5-173.6-7.7000114Q88 P104 V107 Y297N86-Q88 PolarHBondContact O-N 2.86Å; N86-Q88 WeakPolarHBondContact OD1-CB 3.46Å; N86-Q88 PolarHBondContact OD1-N 2.99Å; N86-P104 WeakPolarHBondContact CA-O 3.42Å; N86-P104 WeakPolarHBondContact OD1-CB 3.45Å; N86-V107 PolarHBondContact N-O 2.97Å; N86-Y297 HydrophobicContact CB-CE2 3.89Å; N86-Y297 WeakPolarHBondContact CB-OH 3.22Å; N86-Y297 PolarHBondContact ND2-OH 3.41Å
87P76.8Confident79.6Confident6 Ų662.9 Ų62.94%0.03930%0.301CS..  trans-78.132.4-17934.8-38.1000113.8H89 H90 W93 V107P87-H89 PolarHBondContact O-N 3.04Å; P87-H89 VanDerWaalsContact O-N 3.09Å; P87-H90 HydrophobicContact CB-CB 4.06Å; P87-H90 WeakPolarHBondContact O-CB 3.36Å; P87-H90 PolarHBondContact O-N 2.96Å; P87-W93 HydrophobicContact CG-CE3 3.97Å; P87-W93 HydrophobicContact CG-CZ3 4.5Å; P87-W93 WeakPolarHBondContact O-CB 3.35Å; P87-V107 VanDerWaalsContact CD-O 3.32Å; P87-V107 WeakPolarHBondContact CD-O 3.4Å; P87-V107 HydrophobicContact CG-CB 4.12Å; P87-V107 HydrophobicContact CG-CG1 3.91Å
88Q72.8Confident79.3Confident107 Ų10770.9 Ų70.950%0.533%0.33SS..THydrogen-bonded Turntrans-54.7-32-172.8177.3170-4.900114.5N86 P104N86-Q88 PolarHBondContact O-N 2.86Å; N86-Q88 WeakPolarHBondContact OD1-CB 3.46Å; N86-Q88 PolarHBondContact OD1-N 2.99Å; Q88-P104 HydrophobicContact CB-CB 4.23Å; Q88-P104 HydrophobicContact CB-CG 4.5Å
89H68.4Low79.3Confident177 Ų17770 Ų7082%0.81933%0.327SS*.THydrogen-bonded Turntrans-88.5-1.2178-57.2-73000114.3P87P87-H89 PolarHBondContact O-N 3.04Å; P87-H89 VanDerWaalsContact O-N 3.09Å
90H75.1Confident79.1Confident47 Ų4768.2 Ų68.222%0.21832%0.318CS..SBendtrans-80.2128.8-177-175.9-75.7000110.8P87 K92 W93 Y109 F118P87-H90 HydrophobicContact CB-CB 4.06Å; P87-H90 WeakPolarHBondContact O-CB 3.36Å; P87-H90 PolarHBondContact O-N 2.96Å; H90-K92 PolarHBondContact ND1-N 2.8Å; H90-K92 VanDerWaalsContact ND1-N 3.14Å; H90-K92 PolarHBondContact O-N 2.85Å; H90-W93 WeakPolarHBondContact O-CB 3.45Å; H90-W93 PolarHBondContact O-N 2.9Å; H90-Y109 AromaticContact NE2-CE2 3.84Å; H90-F118 AromaticContact CE1-CZ 3.59Å; H90-F118 AromaticContact ND1-CE1 3.98Å; H90-F118 AromaticContact ND1-CZ 3.66Å
91Q77.4Confident78.8Confident180 Ų18077 Ų7784%0.84136%0.356SS*.THydrogen-bonded Turntrans-46.6-34.8-175.9-168-170.231.400115.6
92K75.5Confident78.5Confident71 Ų7176 Ų7631%0.30935%0.348SS..THydrogen-bonded Turntrans-82.7-7.2178.8-56.6173.5-163.6167.30114.6H90 W95 V96 D116 F118H90-K92 PolarHBondContact ND1-N 2.8Å; H90-K92 VanDerWaalsContact ND1-N 3.14Å; H90-K92 PolarHBondContact O-N 2.85Å; K92-W95 PolarHBondContact O-N 3.11Å; K92-V96 PolarHBondContact O-N 3.35Å; K92-D116 IonicContact NZ-OD2 3.23Å; K92-D116 PolarHBondContact NZ-OD2 3.45Å; K92-F118 HydrophobicContact CB-CZ 3.98Å; K92-F118 HydrophobicContact CD-CE2 4.25Å; K92-F118 HydrophobicContact CD-CZ 4.27Å
93W80.3Confident78.4Confident5 Ų576.8 Ų76.82%0.01936%0.357CS..Hα-helixtrans-62.7-46.2-173.7169.1-113.8000112.3P87 H90 W95 V96 Q97 P104 V107P87-W93 HydrophobicContact CG-CE3 3.97Å; P87-W93 HydrophobicContact CG-CZ3 4.5Å; P87-W93 WeakPolarHBondContact O-CB 3.35Å; H90-W93 WeakPolarHBondContact O-CB 3.45Å; H90-W93 PolarHBondContact O-N 2.9Å; W93-W95 PolarHBondContact O-N 3.47Å; W93-W95 VanDerWaalsContact O-N 3.11Å; W93-V96 HydrophobicContact CE3-CB 4Å; W93-V96 HydrophobicContact CE3-CG1 4.16Å; W93-V96 HydrophobicContact CZ3-CB 4.04Å; W93-V96 HydrophobicContact CZ3-CG1 3.73Å; W93-V96 WeakPolarHBondContact O-CA 3.4Å; W93-V96 WeakPolarHBondContact O-CB 3.49Å; W93-V96 PolarHBondContact O-N 2.65Å; W93-Q97 HydrophobicContact CD2-CB 4.4Å; W93-Q97 HydrophobicContact CH2-CB 4.1Å; W93-Q97 HydrophobicContact CH2-CG 4.42Å; W93-Q97 HydrophobicContact CZ2-CB 3.56Å; W93-Q97 HydrophobicContact CZ2-CG 3.67Å; W93-Q97 PolarHBondContact O-N 2.75Å; W93-P104 HydrophobicContact CH2-CB 4.28Å; W93-P104 HydrophobicContact CH2-CG 4.35Å; W93-P104 HydrophobicContact CZ2-CB 3.81Å; W93-P104 HydrophobicContact CZ2-CG 3.51Å; W93-V107 HydrophobicContact CH2-CG2 4.17Å; W93-V107 HydrophobicContact CZ3-CB 4.23Å; W93-V107 HydrophobicContact CZ3-CG2 3.74Å
94E77.4Confident78.1Confident115 Ų11577.8 Ų77.854%0.53736%0.363SS..Hα-helixtrans-54.8-37.3-178.5-61.6-175.8-160.600112.8R98E94-R98 VanDerWaalsContact O-CB 3.31Å; E94-R98 WeakPolarHBondContact O-CB 3.5Å; E94-R98 WeakPolarHBondContact O-CG 3.23Å; E94-R98 PolarHBondContact O-N 2.68Å; E94-R98 PolarHBondContact O-NE 2.77Å; E94-R98 IonicContact OE2-CZ 2.77Å; E94-R98 IonicContact OE2-NH2 2.75Å; E94-R98 PolarHBondContact OE2-NH2 3.36Å
95W79.8Confident78.1Confident141 Ų14176.8 Ų76.853%0.53436%0.363SS..Hα-helixtrans-68.5-39.8176.5-176.594.1000111.7W42 K92 W93 S99 F100W42-W95 AromaticContact CE2-CZ3 3.74Å; W42-W95 HydrophobicContact CZ2-CE3 4.44Å; W42-W95 AromaticContact CZ2-CZ3 3.72Å; W42-W95 HydrophobicContact CZ2-CZ3 3.72Å; W42-W95 AromaticContact NE1-CH2 3.43Å; W42-W95 AromaticContact NE1-CZ3 3.32Å; W42-W95 VanDerWaalsContact NE1-CZ3 3.32Å; K92-W95 PolarHBondContact O-N 3.11Å; W93-W95 PolarHBondContact O-N 3.47Å; W93-W95 VanDerWaalsContact O-N 3.11Å; W95-S99 WeakPolarHBondContact CH2-OG 3.41Å; W95-S99 WeakPolarHBondContact CZ2-OG 3.49Å; W95-S99 VanDerWaalsContact O-CB 3.23Å; W95-S99 WeakPolarHBondContact O-CB 3.29Å; W95-S99 PolarHBondContact O-N 2.95Å; W95-S99 PolarHBondContact O-OG 2.86Å; W95-F100 HydrophobicContact CZ3-CE2 4.14Å
96V80.9Confident78.6Confident3 Ų377.1 Ų77.12%0.01836%0.363CS..Hα-helixtrans-65.2-46.9176.5179.10000110.2W42 K92 W93 R98 S99 F100 I120W42-V96 HydrophobicContact CH2-CG1 4.21Å; W42-V96 HydrophobicContact CH2-CG2 3.87Å; W42-V96 HydrophobicContact CZ2-CG2 3.97Å; K92-V96 PolarHBondContact O-N 3.35Å; W93-V96 HydrophobicContact CE3-CB 4Å; W93-V96 HydrophobicContact CE3-CG1 4.16Å; W93-V96 HydrophobicContact CZ3-CB 4.04Å; W93-V96 HydrophobicContact CZ3-CG1 3.73Å; W93-V96 WeakPolarHBondContact O-CA 3.4Å; W93-V96 WeakPolarHBondContact O-CB 3.49Å; W93-V96 PolarHBondContact O-N 2.65Å; V96-R98 PolarHBondContact O-N 2.85Å; V96-S99 PolarHBondContact O-N 3.37Å; V96-F100 HydrophobicContact CG1-CD2 4.06Å; V96-F100 PolarHBondContact O-N 2.7Å; V96-I120 HydrophobicContact CG1-CD1 3.83Å
97Q80.7Confident79.1Confident92 Ų9275.3 Ų75.343%0.4335%0.354SS..Hα-helixtrans-58.5-48.4176.5-166.2176.4-1.100111.6W93 S99 K101W93-Q97 HydrophobicContact CD2-CB 4.4Å; W93-Q97 HydrophobicContact CH2-CB 4.1Å; W93-Q97 HydrophobicContact CH2-CG 4.42Å; W93-Q97 HydrophobicContact CZ2-CB 3.56Å; W93-Q97 HydrophobicContact CZ2-CG 3.67Å; W93-Q97 PolarHBondContact O-N 2.75Å; Q97-S99 VanDerWaalsContact C-N 3.33Å; Q97-S99 PolarHBondContact O-N 3.29Å; Q97-K101 VanDerWaalsContact O-CA 3.3Å; Q97-K101 WeakPolarHBondContact O-CA 3.29Å; Q97-K101 PolarHBondContact O-N 3.17Å
98R79.3Confident79.8Confident178 Ų17875.2 Ų75.267%0.67235%0.353SS*.Hα-helixtrans-62.4-36.7176.4-73.7-178.9-118.2175.5-4.7112.8E94 V96E94-R98 VanDerWaalsContact O-CB 3.31Å; E94-R98 WeakPolarHBondContact O-CB 3.5Å; E94-R98 WeakPolarHBondContact O-CG 3.23Å; E94-R98 PolarHBondContact O-N 2.68Å; E94-R98 PolarHBondContact O-NE 2.77Å; E94-R98 IonicContact OE2-CZ 2.77Å; E94-R98 IonicContact OE2-NH2 2.75Å; E94-R98 PolarHBondContact OE2-NH2 3.36Å; V96-R98 PolarHBondContact O-N 2.85Å
99S79.6Confident80.7Confident55 Ų5570.4 Ų70.439%0.38533%0.331SS..Hα-helixtrans-79.4-37.9-175.5-60.20000114.1W95 V96 Q97W95-S99 WeakPolarHBondContact CH2-OG 3.41Å; W95-S99 WeakPolarHBondContact CZ2-OG 3.49Å; W95-S99 VanDerWaalsContact O-CB 3.23Å; W95-S99 WeakPolarHBondContact O-CB 3.29Å; W95-S99 PolarHBondContact O-N 2.95Å; W95-S99 PolarHBondContact O-OG 2.86Å; V96-S99 PolarHBondContact O-N 3.37Å; Q97-S99 VanDerWaalsContact C-N 3.33Å; Q97-S99 PolarHBondContact O-N 3.29Å
100F79.3Confident81.7Confident70 Ų7062 Ų6231%0.30729%0.292SS..Hα-helixtrans-112.8-10-172.6-63.3-70.7000114.6L30 W42 W95 V96 C102 I120L30-F100 HydrophobicContact CD2-CD1 3.81Å; L30-F100 HydrophobicContact CD2-CE1 3.68Å; L30-F100 HydrophobicContact CD2-CZ 4.31Å; W42-F100 HydrophobicContact CB-CZ 3.91Å; W42-F100 AromaticContact CD1-CZ 3.77Å; W42-F100 AromaticContact CD2-CE2 3.62Å; W42-F100 HydrophobicContact CD2-CE2 3.62Å; W42-F100 AromaticContact CD2-CZ 3.61Å; W42-F100 HydrophobicContact CD2-CZ 3.61Å; W42-F100 AromaticContact CE2-CE2 3.63Å; W42-F100 AromaticContact CE2-CZ 3.99Å; W42-F100 AromaticContact CE3-CE2 3.98Å; W42-F100 HydrophobicContact CE3-CE2 3.98Å; W42-F100 HydrophobicContact CE3-CZ 4.12Å; W42-F100 HydrophobicContact CG-CE2 4Å; W42-F100 AromaticContact CG-CZ 3.51Å; W42-F100 HydrophobicContact CG-CZ 3.51Å; W42-F100 HydrophobicContact CH2-CE2 4.27Å; W42-F100 AromaticContact CZ2-CE2 3.99Å; W42-F100 HydrophobicContact CZ2-CE2 3.99Å; W42-F100 HydrophobicContact CZ3-CE2 4.28Å; W42-F100 AromaticContact NE1-CE2 3.96Å; W95-F100 HydrophobicContact CZ3-CE2 4.14Å; V96-F100 HydrophobicContact CG1-CD2 4.06Å; V96-F100 PolarHBondContact O-N 2.7Å; F100-C102 HydrophobicContact CB-CB 4.42Å; F100-C102 PolarHBondContact O-N 3.49Å; F100-I120 HydrophobicContact CB-CD1 4.26Å; F100-I120 HydrophobicContact CD2-CD1 3.62Å; F100-I120 HydrophobicContact CE2-CD1 4.16Å; F100-I120 HydrophobicContact CG-CD1 3.89Å
101K79.3Confident82.3Confident194 Ų19463.8 Ų63.884%0.84330%0.297SS*.  trans54.421.5-176.5-55.1-177.5-179.8-178.80113.9Q97Q97-K101 VanDerWaalsContact O-CA 3.3Å; Q97-K101 WeakPolarHBondContact O-CA 3.29Å; Q97-K101 PolarHBondContact O-N 3.17Å
102C76.6Confident82.8Confident22 Ų2255.7 Ų55.715%0.14926%0.26CS..  trans-83.8150.7-179.5590000111.7F100 I120F100-C102 HydrophobicContact CB-CB 4.42Å; F100-C102 PolarHBondContact O-N 3.49Å; C102-I120 HydrophobicContact CB-CG2 4.24Å
103S80.8Confident83.2Confident53 Ų5354 Ų5437%0.37126%0.263SS..  trans-60.7146.5169.3-177.50000110.9S105 C106S103-S105 PolarHBondContact O-N 3.29Å; S103-S105 PolarHBondContact OG-N 2.7Å; S103-S105 PolarHBondContact OG-OG 3.33Å; S103-C106 PolarHBondContact O-N 3.2Å
104P81.1Confident83.2Confident21 Ų2159.9 Ų59.914%0.13630%0.295CS..G310 helixtrans-52.4-38.3167.5-21.129.1000112.7N86 Q88 W93 C106 V107N86-P104 WeakPolarHBondContact CA-O 3.42Å; N86-P104 WeakPolarHBondContact OD1-CB 3.45Å; Q88-P104 HydrophobicContact CB-CB 4.23Å; Q88-P104 HydrophobicContact CB-CG 4.5Å; W93-P104 HydrophobicContact CH2-CB 4.28Å; W93-P104 HydrophobicContact CH2-CG 4.35Å; W93-P104 HydrophobicContact CZ2-CB 3.81Å; W93-P104 HydrophobicContact CZ2-CG 3.51Å; P104-C106 PolarHBondContact O-N 3.1Å; P104-V107 PolarHBondContact O-N 3.42Å; P104-V107 VanDerWaalsContact O-N 3.12Å
105S84.3Confident83.6Confident26 Ų2656.8 Ų56.818%0.18228%0.278CS..G310 helixtrans-67.4-13.6178.456.60000114.7S103 V107 S124 A127S103-S105 PolarHBondContact O-N 3.29Å; S103-S105 PolarHBondContact OG-N 2.7Å; S103-S105 PolarHBondContact OG-OG 3.33Å; S105-V107 VanDerWaalsContact C-N 3.26Å; S105-V107 PolarHBondContact O-N 2.77Å; S105-S124 WeakPolarHBondContact O-CA 3.45Å; S105-A127 WeakPolarHBondContact O-CB 3.32Å
106C88.3Confident83.9Confident18 Ų1851 Ų5112%0.12226%0.258CS..G310 helixtrans-84.24.7172.4-61.50000113.1S103 P104 I120 A121S103-C106 PolarHBondContact O-N 3.2Å; P104-C106 PolarHBondContact O-N 3.1Å; C106-I120 WeakPolarHBondContact O-CA 3.39Å; C106-A121 PolarHBondContact O-N 3.49Å
107V88.6Confident84.3Confident1 Ų151.7 Ų51.71%0.00626%0.26CS..EExtended strand (participates in β ladder)trans-125.6126.1-169.7-171.50000112.3N86 P87 W93 P104 S105 F118 L119 I120N86-V107 PolarHBondContact N-O 2.97Å; P87-V107 VanDerWaalsContact CD-O 3.32Å; P87-V107 WeakPolarHBondContact CD-O 3.4Å; P87-V107 HydrophobicContact CG-CB 4.12Å; P87-V107 HydrophobicContact CG-CG1 3.91Å; W93-V107 HydrophobicContact CH2-CG2 4.17Å; W93-V107 HydrophobicContact CZ3-CB 4.23Å; W93-V107 HydrophobicContact CZ3-CG2 3.74Å; P104-V107 PolarHBondContact O-N 3.42Å; P104-V107 VanDerWaalsContact O-N 3.12Å; S105-V107 VanDerWaalsContact C-N 3.26Å; S105-V107 PolarHBondContact O-N 2.77Å; V107-F118 HydrophobicContact CG1-CB 4.43Å; V107-F118 HydrophobicContact CG1-CD1 4.43Å; V107-L119 WeakPolarHBondContact CA-O 3.32Å; V107-I120 HydrophobicContact CG1-CG1 4.21Å; V107-I120 HydrophobicContact CG2-CB 4.32Å; V107-I120 HydrophobicContact CG2-CG1 3.85Å; V107-I120 HydrophobicContact CG2-CG2 4.14Å
108V91Very high84.7Confident4 Ų447.7 Ų47.72%0.02424%0.242CC..EExtended strand (participates in β ladder)trans-103.1120.2168.2-173.50000108.5L83 Y84 L119 A127 W130 F131L83-V108 HydrophobicContact CD1-CG1 3.71Å; Y84-V108 WeakPolarHBondContact O-CA 3.4Å; V108-L119 PolarHBondContact N-O 2.74Å; V108-L119 PolarHBondContact O-N 3.42Å; V108-A127 HydrophobicContact CG2-CB 3.99Å; V108-A127 VanDerWaalsContact CG2-O 3.26Å; V108-A127 WeakPolarHBondContact CG2-O 3.37Å; V108-W130 HydrophobicContact CG2-CB 4.39Å; V108-F131 HydrophobicContact CG2-CB 4.2Å
109Y90.2Very high85.3Confident5 Ų539.4 Ų39.42%0.0221%0.21CC..EExtended strand (participates in β ladder)trans-93.4136.4167.1168-90.1000109.8L82 L83 Y84 H90 R111 D116 Y117 F118L82-Y109 HydrophobicContact CB-CE1 3.9Å; L82-Y109 HydrophobicContact CD1-CE1 3.98Å; L83-Y109 WeakPolarHBondContact CA-O 3.35Å; Y84-Y109 AromaticContact CD2-CD1 3.69Å; Y84-Y109 HydrophobicContact CD2-CD1 3.69Å; Y84-Y109 HydrophobicContact CD2-CE1 4.07Å; Y84-Y109 HydrophobicContact CE2-CE1 4.5Å; Y84-Y109 HydrophobicContact CG-CD1 4.5Å; Y84-Y109 PolarHBondContact N-O 3.14Å; Y84-Y109 PolarHBondContact O-N 2.76Å; H90-Y109 AromaticContact NE2-CE2 3.84Å; Y109-R111 HydrophobicContact CE1-CB 4.22Å; Y109-D116 HydrophobicContact CE2-CB 3.94Å; Y109-D116 PolarHBondContact OH-OD1 2.96Å; Y109-Y117 WeakPolarHBondContact CA-O 3.44Å; Y109-F118 AromaticContact CD2-CD1 3.96Å; Y109-F118 HydrophobicContact CD2-CD1 3.96Å; Y109-F118 HydrophobicContact CD2-CD2 4.36Å; Y109-F118 AromaticContact CD2-CE1 3.57Å; Y109-F118 HydrophobicContact CD2-CE1 3.57Å; Y109-F118 AromaticContact CD2-CE2 4Å; Y109-F118 HydrophobicContact CD2-CE2 4Å; Y109-F118 HydrophobicContact CD2-CG 4.33Å; Y109-F118 AromaticContact CD2-CZ 3.57Å; Y109-F118 HydrophobicContact CD2-CZ 3.57Å; Y109-F118 HydrophobicContact CE2-CE1 4.33Å; Y109-F118 HydrophobicContact CE2-CE2 4.18Å; Y109-F118 AromaticContact CE2-CZ 3.88Å; Y109-F118 HydrophobicContact CE2-CZ 3.88Å; Y109-F118 HydrophobicContact CG-CE1 4.37Å
110L90.8Very high85.9Confident0 Ų037.3 Ų37.30%020%0.195CC..EExtended strand (participates in β ladder)trans-138.2146.9165.366.985.9000111L59 I75 L82 L83 A112 Y117 L119 L134L59-L110 HydrophobicContact CD2-CD2 4.34Å; I75-L110 HydrophobicContact CD1-CD1 4.44Å; I75-L110 HydrophobicContact CG2-CD1 3.97Å; L82-L110 CarbonylContact O-C 3.56Å; L82-L110 VanDerWaalsContact O-CA 3.28Å; L82-L110 WeakPolarHBondContact O-CA 3.32Å; L83-L110 HydrophobicContact CD1-CB 3.91Å; L110-A112 HydrophobicContact CD1-CB 4.3Å; L110-Y117 HydrophobicContact CD1-CD1 4.43Å; L110-Y117 HydrophobicContact CD1-CD2 3.66Å; L110-Y117 HydrophobicContact CD1-CE2 4.38Å; L110-Y117 HydrophobicContact CD1-CG 3.72Å; L110-Y117 HydrophobicContact CG-CG 4.41Å; L110-Y117 PolarHBondContact N-O 3.38Å; L110-Y117 WeakPolarHBondContact O-CA 3.44Å; L110-Y117 WeakPolarHBondContact O-CB 3.46Å; L110-Y117 PolarHBondContact O-N 2.8Å; L110-L119 HydrophobicContact CD2-CD1 3.96Å; L110-L134 HydrophobicContact CD2-CD1 4.34Å
111R87.4Confident86.5Confident86 Ų8634.3 Ų34.333%0.32518%0.183SC..EExtended strand (participates in β ladder)trans-110.8121.3172.8-171.5171.1165173.5-5.9108I80 S81 L82 Y109I80-R111 CarbonylContact C-O 3.5Å; I80-R111 VanDerWaalsContact CA-O 3.32Å; I80-R111 WeakPolarHBondContact CA-O 3.34Å; S81-R111 PolarHBondContact N-O 3.49Å; L82-R111 HydrophobicContact CB-CB 3.77Å; L82-R111 HydrophobicContact CD1-CB 4.25Å; L82-R111 HydrophobicContact CG-CB 4.18Å; L82-R111 PolarHBondContact O-N 2.86Å; Y109-R111 HydrophobicContact CE1-CB 4.22Å
112A87.4Confident86.9Confident9 Ų930.4 Ų30.47%0.07417%0.168CC..EExtended strand (participates in β ladder)trans-118.2113.3174.100000109.1I75 Q79 I80 L110 N114 R115 Y117I75-A112 HydrophobicContact CG2-CB 4.02Å; Q79-A112 CarbonylContact O-C 3.6Å; Q79-A112 WeakPolarHBondContact O-CA 3.39Å; I80-A112 HydrophobicContact CG1-CB 4.28Å; L110-A112 HydrophobicContact CD1-CB 4.3Å; A112-N114 PolarHBondContact O-N 3.46Å; A112-N114 VanDerWaalsContact O-N 3.1Å; A112-R115 PolarHBondContact N-O 2.97Å; A112-R115 PolarHBondContact O-N 2.68Å; A112-Y117 HydrophobicContact CB-CD2 4.44Å; A112-Y117 HydrophobicContact CB-CE2 3.91Å
113G83.8Confident87.5Confident36 Ų3634.3 Ų34.337%0.37119%0.187SC..THydrogen-bonded Turntrans51.2-113.4-173.200000112.6Q79Q79-G113 PolarHBondContact O-N 2.91Å
114N81.8Confident87.9Confident128 Ų12834 Ų3468%0.68419%0.185SC*.THydrogen-bonded Turntrans-96.519.8-177.572.120.4000114.9K36 A112K36-N114 PolarHBondContact NZ-ND2 2.96Å; A112-N114 PolarHBondContact O-N 3.46Å; A112-N114 VanDerWaalsContact O-N 3.1Å
115R85.6Confident88.3Confident50 Ų5037.5 Ų37.519%0.18921%0.21CC..EExtended strand (participates in β ladder)trans-136.8127.1-174.5-179.1176.9178.6-164.314.8113.3A112 Y117A112-R115 PolarHBondContact N-O 2.97Å; A112-R115 PolarHBondContact O-N 2.68Å; R115-Y117 HydrophobicContact CB-CD2 4.47Å; R115-Y117 HydrophobicContact CB-CE2 3.88Å; R115-Y117 HydrophobicContact CG-CD2 3.95Å; R115-Y117 HydrophobicContact CG-CE2 3.52Å; R115-Y117 PolarHBondContact NH1-OH 3.1Å; R115-Y117 WeakPolarHBondContact O-CD2 3.18Å
116D85.9Confident88.7Confident20 Ų2039.3 Ų39.311%0.10722%0.216CC..EExtended strand (participates in β ladder)trans-75.5140.8165.2-64.9-32.1000111.8K92 Y109 F118K92-D116 IonicContact NZ-OD2 3.23Å; K92-D116 PolarHBondContact NZ-OD2 3.45Å; Y109-D116 HydrophobicContact CE2-CB 3.94Å; Y109-D116 PolarHBondContact OH-OD1 2.96Å; D116-F118 HydrophobicContact CB-CE2 4.28Å
117Y89.2Confident88.7Confident17 Ų1738.5 Ų38.57%0.06721%0.21CC..EExtended strand (participates in β ladder)trans-127.8124.4170.6-65.9-116.4000107.8K31 I75 Y109 L110 A112 R115K31-Y117 HydrophobicContact CD-CD1 3.98Å; K31-Y117 HydrophobicContact CD-CE1 4.28Å; K31-Y117 VanDerWaalsContact CE-CE1 3.44Å; I75-Y117 HydrophobicContact CD1-CD1 3.47Å; I75-Y117 VanDerWaalsContact CD1-CD1 3.47Å; I75-Y117 HydrophobicContact CD1-CE1 3.39Å; I75-Y117 HydrophobicContact CD1-CG 4.32Å; I75-Y117 HydrophobicContact CG1-CD1 4.16Å; I75-Y117 HydrophobicContact CG1-CE1 3.56Å; Y109-Y117 WeakPolarHBondContact CA-O 3.44Å; L110-Y117 HydrophobicContact CD1-CD1 4.43Å; L110-Y117 HydrophobicContact CD1-CD2 3.66Å; L110-Y117 HydrophobicContact CD1-CE2 4.38Å; L110-Y117 HydrophobicContact CD1-CG 3.72Å; L110-Y117 HydrophobicContact CG-CG 4.41Å; L110-Y117 PolarHBondContact N-O 3.38Å; L110-Y117 WeakPolarHBondContact O-CA 3.44Å; L110-Y117 WeakPolarHBondContact O-CB 3.46Å; L110-Y117 PolarHBondContact O-N 2.8Å; A112-Y117 HydrophobicContact CB-CD2 4.44Å; A112-Y117 HydrophobicContact CB-CE2 3.91Å; R115-Y117 HydrophobicContact CB-CD2 4.47Å; R115-Y117 HydrophobicContact CB-CE2 3.88Å; R115-Y117 HydrophobicContact CG-CD2 3.95Å; R115-Y117 HydrophobicContact CG-CE2 3.52Å; R115-Y117 PolarHBondContact NH1-OH 3.1Å; R115-Y117 WeakPolarHBondContact O-CD2 3.18Å
118F89.4Confident88.7Confident9 Ų941 Ų414%0.03922%0.223CC..EExtended strand (participates in β ladder)trans-105.9130.3160.8-58.7-100.4000106.4S32 W42 H90 K92 V107 Y109 D116S32-F118 PolarHBondContact N-O 2.7Å; S32-F118 PolarHBondContact OG-N 3.25Å; W42-F118 HydrophobicContact CH2-CB 3.64Å; W42-F118 HydrophobicContact CH2-CG 4.25Å; W42-F118 HydrophobicContact CZ3-CB 3.94Å; H90-F118 AromaticContact CE1-CZ 3.59Å; H90-F118 AromaticContact ND1-CE1 3.98Å; H90-F118 AromaticContact ND1-CZ 3.66Å; K92-F118 HydrophobicContact CB-CZ 3.98Å; K92-F118 HydrophobicContact CD-CE2 4.25Å; K92-F118 HydrophobicContact CD-CZ 4.27Å; V107-F118 HydrophobicContact CG1-CB 4.43Å; V107-F118 HydrophobicContact CG1-CD1 4.43Å; Y109-F118 AromaticContact CD2-CD1 3.96Å; Y109-F118 HydrophobicContact CD2-CD1 3.96Å; Y109-F118 HydrophobicContact CD2-CD2 4.36Å; Y109-F118 AromaticContact CD2-CE1 3.57Å; Y109-F118 HydrophobicContact CD2-CE1 3.57Å; Y109-F118 AromaticContact CD2-CE2 4Å; Y109-F118 HydrophobicContact CD2-CE2 4Å; Y109-F118 HydrophobicContact CD2-CG 4.33Å; Y109-F118 AromaticContact CD2-CZ 3.57Å; Y109-F118 HydrophobicContact CD2-CZ 3.57Å; Y109-F118 HydrophobicContact CE2-CE1 4.33Å; Y109-F118 HydrophobicContact CE2-CE2 4.18Å; Y109-F118 AromaticContact CE2-CZ 3.88Å; Y109-F118 HydrophobicContact CE2-CZ 3.88Å; Y109-F118 HydrophobicContact CG-CE1 4.37Å; D116-F118 HydrophobicContact CB-CE2 4.28Å
119L91.6Very high88.8Confident3 Ų341.4 Ų41.42%0.01623%0.228CC..EExtended strand (participates in β ladder)trans-120.6112.8177.9-56.1179000106.8L29 K31 F47 V107 V108 L110L29-L119 HydrophobicContact CB-CB 4.41Å; L29-L119 HydrophobicContact CD1-CB 4.1Å; L29-L119 HydrophobicContact CD1-CD1 4.02Å; K31-L119 HydrophobicContact CB-CD2 3.81Å; K31-L119 HydrophobicContact CD-CD2 4.2Å; K31-L119 HydrophobicContact CG-CD2 3.98Å; F47-L119 HydrophobicContact CE1-CD1 4.37Å; F47-L119 HydrophobicContact CE1-CD2 4.07Å; F47-L119 HydrophobicContact CE2-CD2 4.19Å; F47-L119 HydrophobicContact CZ-CD2 3.58Å; V107-L119 WeakPolarHBondContact CA-O 3.32Å; V108-L119 PolarHBondContact N-O 2.74Å; V108-L119 PolarHBondContact O-N 3.42Å; L110-L119 HydrophobicContact CD2-CD1 3.96Å
120I91.5Very high88.9Confident11 Ų1141.4 Ų41.46%0.05623%0.228CC..EExtended strand (participates in β ladder)trans-98.1122.6178.1-51.4173.5000107.2L30 W42 V96 F100 C102 C106 V107L30-I120 HydrophobicContact CB-CB 4.2Å; L30-I120 HydrophobicContact CD2-CD1 4.37Å; L30-I120 PolarHBondContact N-O 3.32Å; L30-I120 PolarHBondContact O-N 2.95Å; W42-I120 HydrophobicContact CE3-CD1 4.18Å; W42-I120 HydrophobicContact CH2-CD1 4.25Å; W42-I120 HydrophobicContact CZ3-CD1 3.65Å; W42-I120 HydrophobicContact CZ3-CG1 4.03Å; V96-I120 HydrophobicContact CG1-CD1 3.83Å; F100-I120 HydrophobicContact CB-CD1 4.26Å; F100-I120 HydrophobicContact CD2-CD1 3.62Å; F100-I120 HydrophobicContact CE2-CD1 4.16Å; F100-I120 HydrophobicContact CG-CD1 3.89Å; C102-I120 HydrophobicContact CB-CG2 4.24Å; C106-I120 WeakPolarHBondContact O-CA 3.39Å; V107-I120 HydrophobicContact CG1-CG1 4.21Å; V107-I120 HydrophobicContact CG2-CB 4.32Å; V107-I120 HydrophobicContact CG2-CG1 3.85Å; V107-I120 HydrophobicContact CG2-CG2 4.14Å
121A91.4Very high88.9Confident7 Ų742 Ų426%0.05823%0.231CC..  trans-90.7172.3172.600000111L29 C106 E126 A127L29-A121 HydrophobicContact CD2-CB 3.61Å; C106-A121 PolarHBondContact O-N 3.49Å; A121-E126 HydrophobicContact CB-CB 3.75Å; A121-A127 HydrophobicContact CB-CB 3.9Å
122E88.3Confident89.1Confident112 Ų11240.6 Ų40.652%0.52323%0.232SC..SBendtrans-84.1-26.2-176.2-57.9-172.4176.500111R44 E126R44-E122 IonicContact CZ-OE1 2.7Å; R44-E122 IonicContact NE-OE1 2.69Å; R44-E122 PolarHBondContact NE-OE1 2.95Å; R44-E122 IonicContact NH2-OE1 2.82Å; R44-E122 PolarHBondContact NH2-OE1 2.98Å; R44-E122 IonicContact NH2-OE2 3.95Å; E122-E126 PolarHBondContact N-OE2 3.43Å
123N89.5Confident89.3Confident104 Ų10441.8 Ų41.856%0.55624%0.237SC*.SBendtrans-133.5160.9172.3-60.599000112.2E126 A127N123-E126 HydrophobicContact CB-CG 4.38Å; N123-E126 WeakPolarHBondContact O-CB 3.38Å; N123-E126 PolarHBondContact O-N 3.01Å; N123-A127 PolarHBondContact O-N 2.98Å
124S89Confident89.7Confident48 Ų4840.1 Ų40.134%0.33622%0.22SC..Hα-helixtrans-60.4-49.417454.80000111.8S105 E126 A127 D128S105-S124 WeakPolarHBondContact O-CA 3.45Å; S124-E126 CarbonylContact O-C 3.59Å; S124-E126 PolarHBondContact O-N 3.46Å; S124-E126 VanDerWaalsContact O-N 3.07Å; S124-A127 CarbonylContact O-C 3.51Å; S124-A127 WeakPolarHBondContact O-CA 3.39Å; S124-A127 WeakPolarHBondContact O-CB 3.35Å; S124-A127 PolarHBondContact O-N 3.41Å; S124-D128 VanDerWaalsContact O-CG 3.26Å; S124-D128 PolarHBondContact O-N 3.23Å
125S89.6Confident89.9Confident93 Ų9334.4 Ų34.465%0.6519%0.189SC*.Hα-helixtrans-56.2-30.2178.2179.90000113.9G129S125-G129 PolarHBondContact O-N 3.43Å
126E91.9Very high90.1Very high65 Ų6535.3 Ų35.330%0.30420%0.195SC..Hα-helixtrans-67.7-48.7169.6-70.2-165131.500111.8A121 E122 N123 S124 G129 W130A121-E126 HydrophobicContact CB-CB 3.75Å; E122-E126 PolarHBondContact N-OE2 3.43Å; N123-E126 HydrophobicContact CB-CG 4.38Å; N123-E126 WeakPolarHBondContact O-CB 3.38Å; N123-E126 PolarHBondContact O-N 3.01Å; S124-E126 CarbonylContact O-C 3.59Å; S124-E126 PolarHBondContact O-N 3.46Å; S124-E126 VanDerWaalsContact O-N 3.07Å; E126-G129 PolarHBondContact O-N 2.91Å; E126-W130 WeakPolarHBondContact O-CB 3.49Å; E126-W130 PolarHBondContact O-N 3.08Å
127A89.4Confident90.1Very high1 Ų134.6 Ų34.61%0.00819%0.192CC..Hα-helixtrans-62.6-43178.100000112.2S105 V108 A121 N123 S124 G129 W130 F131S105-A127 WeakPolarHBondContact O-CB 3.32Å; V108-A127 HydrophobicContact CG2-CB 3.99Å; V108-A127 VanDerWaalsContact CG2-O 3.26Å; V108-A127 WeakPolarHBondContact CG2-O 3.37Å; A121-A127 HydrophobicContact CB-CB 3.9Å; N123-A127 PolarHBondContact O-N 2.98Å; S124-A127 CarbonylContact O-C 3.51Å; S124-A127 WeakPolarHBondContact O-CA 3.39Å; S124-A127 WeakPolarHBondContact O-CB 3.35Å; S124-A127 PolarHBondContact O-N 3.41Å; A127-G129 VanDerWaalsContact C-N 3.34Å; A127-W130 PolarHBondContact O-N 2.83Å; A127-F131 WeakPolarHBondContact O-CB 3.09Å; A127-F131 PolarHBondContact O-N 3.4Å
128D88.9Confident89.9Confident52 Ų5234.6 Ų34.628%0.27819%0.193SC..Hα-helixtrans-63.7-40.4176.9-60.7-44.1000110.9S124 F131 T132S124-D128 VanDerWaalsContact O-CG 3.26Å; S124-D128 PolarHBondContact O-N 3.23Å; D128-F131 PolarHBondContact O-N 2.83Å; D128-T132 WeakPolarHBondContact O-CB 3.12Å; D128-T132 PolarHBondContact O-N 2.91Å; D128-T132 PolarHBondContact O-OG1 2.71Å
129G91.3Very high89.4Confident13 Ų1338.5 Ų38.513%0.13421%0.21CC..Hα-helixtrans-68.4-40.8172.700000113.5R25 S125 E126 A127 T132 D133R25-G129 PolarHBondContact NH2-O 2.91Å; S125-G129 PolarHBondContact O-N 3.43Å; E126-G129 PolarHBondContact O-N 2.91Å; A127-G129 VanDerWaalsContact C-N 3.34Å; G129-T132 PolarHBondContact O-N 2.98Å; G129-D133 PolarHBondContact O-N 3.4Å
130W93.6Very high88.3Confident5 Ų541.6 Ų41.62%0.01923%0.227CC..Hα-helixtrans-62.7-42.2172.5-87.5110.1000111.5R25 L29 F47 L49 L59 V108 E126 A127 L134R25-W130 HydrophobicContact CB-CH2 4.28Å; R25-W130 HydrophobicContact CB-CZ3 4.28Å; R25-W130 VanDerWaalsContact CD-CE2 3.47Å; R25-W130 HydrophobicContact CG-CD2 4.15Å; R25-W130 HydrophobicContact CG-CE3 4.31Å; R25-W130 HydrophobicContact CG-CH2 3.98Å; R25-W130 HydrophobicContact CG-CZ2 3.82Å; R25-W130 HydrophobicContact CG-CZ3 4.22Å; L29-W130 HydrophobicContact CD1-CD2 3.94Å; L29-W130 HydrophobicContact CD1-CE3 4.44Å; L29-W130 HydrophobicContact CD1-CG 4.22Å; L29-W130 HydrophobicContact CD1-CZ2 4.22Å; L29-W130 HydrophobicContact CD2-CG 4.47Å; F47-W130 HydrophobicContact CB-CH2 3.6Å; F47-W130 HydrophobicContact CB-CZ2 3.96Å; F47-W130 HydrophobicContact CB-CZ3 4.29Å; L49-W130 HydrophobicContact CB-CZ3 4.2Å; L59-W130 HydrophobicContact CD1-CZ3 3.87Å; V108-W130 HydrophobicContact CG2-CB 4.39Å; E126-W130 WeakPolarHBondContact O-CB 3.49Å; E126-W130 PolarHBondContact O-N 3.08Å; A127-W130 PolarHBondContact O-N 2.83Å; W130-L134 VanDerWaalsContact O-CB 3.26Å; W130-L134 WeakPolarHBondContact O-CB 3.44Å; W130-L134 WeakPolarHBondContact O-CD1 3.38Å; W130-L134 WeakPolarHBondContact O-CG 3.32Å; W130-L134 PolarHBondContact O-N 3.49Å
131F91Very high87Confident14 Ų1446.3 Ų46.36%0.06124%0.244CC..Hα-helixtrans-61.7-46.1174.1171.9-100.4000111.1L83 G85 V108 A127 D128 L134 F135 I290 Y294L83-F131 HydrophobicContact CD1-CD2 4.32Å; L83-F131 HydrophobicContact CD2-CD2 4.11Å; L83-F131 HydrophobicContact CD2-CE2 4.18Å; L83-F131 HydrophobicContact CG-CD2 3.86Å; L83-F131 HydrophobicContact CG-CE2 3.9Å; G85-F131 VanDerWaalsContact N-CE2 3.28Å; V108-F131 HydrophobicContact CG2-CB 4.2Å; A127-F131 WeakPolarHBondContact O-CB 3.09Å; A127-F131 PolarHBondContact O-N 3.4Å; D128-F131 PolarHBondContact O-N 2.83Å; F131-L134 PolarHBondContact O-N 3.46Å; F131-F135 HydrophobicContact CE1-CD1 4.35Å; F131-F135 HydrophobicContact CZ-CD1 4.43Å; F131-F135 VanDerWaalsContact O-CB 3.22Å; F131-F135 WeakPolarHBondContact O-CB 3.45Å; F131-F135 PolarHBondContact O-N 3.36Å; F131-I290 HydrophobicContact CE2-CG2 3.86Å; F131-I290 HydrophobicContact CZ-CG2 3.6Å; F131-Y294 HydrophobicContact CE1-CD2 4.42Å
132T91.3Very high85.1Confident56 Ų5648 Ų4834%0.34425%0.254SS..Hα-helixtrans-59.9-51.4179.3-59.10000111.6D128 G129 L134 F135 E136D128-T132 WeakPolarHBondContact O-CB 3.12Å; D128-T132 PolarHBondContact O-N 2.91Å; D128-T132 PolarHBondContact O-OG1 2.71Å; G129-T132 PolarHBondContact O-N 2.98Å; T132-L134 VanDerWaalsContact C-N 3.35Å; T132-L134 PolarHBondContact O-N 3.15Å; T132-F135 PolarHBondContact O-N 3.4Å; T132-E136 PolarHBondContact O-N 3.4Å
133D91.6Very high83.1Confident33 Ų3350.9 Ų50.918%0.17627%0.267CS..Hα-helixtrans-69.2-33.2-177.6-65.4-9.7000112.3I24 R25 L49 G129 A137I24-D133 HydrophobicContact CG2-CB 4.24Å; R25-D133 IonicContact CZ-OD2 3.09Å; R25-D133 IonicContact NE-OD2 2.83Å; R25-D133 PolarHBondContact NE-OD2 3.26Å; R25-D133 IonicContact NH2-OD1 2.8Å; R25-D133 IonicContact NH2-OD2 2.66Å; R25-D133 PolarHBondContact NH2-OD2 2.89Å; L49-D133 HydrophobicContact CD2-CB 3.91Å; G129-D133 PolarHBondContact O-N 3.4Å; D133-A137 VanDerWaalsContact O-CB 3.22Å; D133-A137 WeakPolarHBondContact O-CB 3.39Å; D133-A137 PolarHBondContact O-N 2.67Å
134L90.8Very high80.8Confident1 Ų151.9 Ų51.91%0.00527%0.267CS..Hα-helixtrans-71.5-34.4172.6-68.6172.1000112.1L49 L59 M77 L83 L110 W130 F131 T132 L138L49-L134 HydrophobicContact CD1-CD2 4.07Å; L49-L134 HydrophobicContact CD2-CD2 4.12Å; L59-L134 HydrophobicContact CD1-CD2 4.34Å; L59-L134 HydrophobicContact CD2-CD1 4.4Å; L59-L134 HydrophobicContact CD2-CD2 3.88Å; L59-L134 HydrophobicContact CG-CD2 4.48Å; M77-L134 HydrophobicContact CE-CD2 3.78Å; M77-L134 HydrophobicContact SD-CD2 4.17Å; L83-L134 HydrophobicContact CD1-CB 4.4Å; L83-L134 HydrophobicContact CD1-CD1 4.45Å; L83-L134 HydrophobicContact CD2-CB 3.91Å; L110-L134 HydrophobicContact CD2-CD1 4.34Å; W130-L134 VanDerWaalsContact O-CB 3.26Å; W130-L134 WeakPolarHBondContact O-CB 3.44Å; W130-L134 WeakPolarHBondContact O-CD1 3.38Å; W130-L134 WeakPolarHBondContact O-CG 3.32Å; W130-L134 PolarHBondContact O-N 3.49Å; F131-L134 PolarHBondContact O-N 3.46Å; T132-L134 VanDerWaalsContact C-N 3.35Å; T132-L134 PolarHBondContact O-N 3.15Å; L134-L138 VanDerWaalsContact O-CG 3.27Å; L134-L138 WeakPolarHBondContact O-CG 3.27Å; L134-L138 PolarHBondContact O-N 3.15Å; L134-L138 VanDerWaalsContact O-N 3.14Å
135F87.8Confident78Confident8 Ų858.3 Ų58.34%0.03529%0.289CS..Hα-helixtrans-69.7-45.2175.4-176.2-159.1000110.7L83 F131 T132 A137 L138 K139 I290 Y294L83-F135 HydrophobicContact CD2-CB 4.09Å; F131-F135 HydrophobicContact CE1-CD1 4.35Å; F131-F135 HydrophobicContact CZ-CD1 4.43Å; F131-F135 VanDerWaalsContact O-CB 3.22Å; F131-F135 WeakPolarHBondContact O-CB 3.45Å; F131-F135 PolarHBondContact O-N 3.36Å; T132-F135 PolarHBondContact O-N 3.4Å; F135-A137 VanDerWaalsContact C-N 3.33Å; F135-A137 PolarHBondContact O-N 2.76Å; F135-L138 CarbonylContact O-C 3.58Å; F135-L138 PolarHBondContact O-N 2.99Å; F135-K139 HydrophobicContact CD2-CD 4.36Å; F135-K139 HydrophobicContact CD2-CG 3.9Å; F135-K139 HydrophobicContact CE2-CD 4.21Å; F135-K139 HydrophobicContact CE2-CG 3.8Å; F135-K139 HydrophobicContact CZ-CD 4.4Å; F135-K139 HydrophobicContact CZ-CG 4.44Å; F135-K139 WeakPolarHBondContact O-CG 3.35Å; F135-K139 PolarHBondContact O-N 3.46Å; F135-I290 HydrophobicContact CD1-CG2 3.94Å; F135-I290 HydrophobicContact CD2-CB 4.2Å; F135-I290 HydrophobicContact CD2-CD1 4.23Å; F135-I290 HydrophobicContact CD2-CG2 3.54Å; F135-I290 HydrophobicContact CE1-CG2 3.88Å; F135-I290 HydrophobicContact CE2-CB 3.7Å; F135-I290 HydrophobicContact CE2-CD1 4.21Å; F135-I290 HydrophobicContact CE2-CG2 3.48Å; F135-I290 VanDerWaalsContact CE2-CG2 3.48Å; F135-I290 HydrophobicContact CG-CG2 3.77Å; F135-I290 HydrophobicContact CZ-CB 3.91Å; F135-I290 HydrophobicContact CZ-CG2 3.65Å; F135-Y294 HydrophobicContact CE1-CG 4.48Å
136E88.2Confident75.3Confident70 Ų7059.9 Ų59.933%0.32729%0.289SS..Hα-helixtrans-61.2-40.2172.8-73.4-53.5136.400112T132 L138 K139 N140T132-E136 PolarHBondContact O-N 3.4Å; E136-L138 PolarHBondContact O-N 2.9Å; E136-K139 PolarHBondContact O-N 3.11Å; E136-K139 WeakPolarHBondContact OE1-CD 3.44Å; E136-K139 WeakPolarHBondContact OE1-CE 3.44Å; E136-K139 IonicContact OE1-NZ 3.64Å; E136-K139 PolarHBondContact OE1-NZ 3.4Å; E136-N140 WeakPolarHBondContact O-CB 3.45Å; E136-N140 PolarHBondContact O-N 2.91Å; E136-N140 PolarHBondContact O-ND2 3.07Å; E136-N140 PolarHBondContact OE2-ND2 3.1Å
137A87.3Confident72.3Confident4 Ų464 Ų643%0.03331%0.306CS..Hα-helixtrans-60.8-27.4173.200000113.8L49 Y57 M77 D133 F135L49-A137 HydrophobicContact CD2-CB 4.45Å; Y57-A137 HydrophobicContact CD1-CB 3.32Å; Y57-A137 HydrophobicContact CD2-CB 4.05Å; Y57-A137 HydrophobicContact CE1-CB 3.66Å; Y57-A137 HydrophobicContact CE2-CB 4.37Å; Y57-A137 HydrophobicContact CG-CB 3.51Å; M77-A137 HydrophobicContact CE-CB 3.69Å; D133-A137 VanDerWaalsContact O-CB 3.22Å; D133-A137 WeakPolarHBondContact O-CB 3.39Å; D133-A137 PolarHBondContact O-N 2.67Å; F135-A137 VanDerWaalsContact C-N 3.33Å; F135-A137 PolarHBondContact O-N 2.76Å
138L84.9Confident69.8Low18 Ų1868.3 Ų68.39%0.09434%0.336CS..Hα-helixtrans-87.8-37.6175.9-68.2170.4000112.9M77 I80 L83 L134 F135 E136 R141M77-L138 HydrophobicContact CE-CD2 4.14Å; M77-L138 HydrophobicContact CE-CG 4.12Å; M77-L138 WeakPolarHBondContact O-CD2 3.29Å; I80-L138 HydrophobicContact CB-CD1 4.43Å; I80-L138 HydrophobicContact CB-CD2 4.12Å; I80-L138 HydrophobicContact CG2-CD1 3.93Å; L83-L138 HydrophobicContact CB-CD1 4.27Å; L83-L138 HydrophobicContact CD2-CD1 3.87Å; L134-L138 VanDerWaalsContact O-CG 3.27Å; L134-L138 WeakPolarHBondContact O-CG 3.27Å; L134-L138 PolarHBondContact O-N 3.15Å; L134-L138 VanDerWaalsContact O-N 3.14Å; F135-L138 CarbonylContact O-C 3.58Å; F135-L138 PolarHBondContact O-N 2.99Å; E136-L138 PolarHBondContact O-N 2.9Å; L138-R141 VanDerWaalsContact O-CB 3.27Å; L138-R141 WeakPolarHBondContact O-CB 3.5Å; L138-R141 PolarHBondContact O-N 3.36Å
139K79.4Confident67.4Low90 Ų9072.2 Ų72.239%0.39135%0.353SS..Hα-helixtrans-61.9-48.8173.7-72.1179.3-166.9169.50111.6F135 E136 R141F135-K139 HydrophobicContact CD2-CD 4.36Å; F135-K139 HydrophobicContact CD2-CG 3.9Å; F135-K139 HydrophobicContact CE2-CD 4.21Å; F135-K139 HydrophobicContact CE2-CG 3.8Å; F135-K139 HydrophobicContact CZ-CD 4.4Å; F135-K139 HydrophobicContact CZ-CG 4.44Å; F135-K139 WeakPolarHBondContact O-CG 3.35Å; F135-K139 PolarHBondContact O-N 3.46Å; E136-K139 PolarHBondContact O-N 3.11Å; E136-K139 WeakPolarHBondContact OE1-CD 3.44Å; E136-K139 WeakPolarHBondContact OE1-CE 3.44Å; E136-K139 IonicContact OE1-NZ 3.64Å; E136-K139 PolarHBondContact OE1-NZ 3.4Å; K139-R141 PolarHBondContact O-N 3.23Å; K139-R141 VanDerWaalsContact O-N 3.16Å
140N67.4Low64.9Low69 Ų6978.1 Ų78.137%0.36938%0.377SS..THydrogen-bonded Turntrans-78.89.2-175.6-66-80.1000112.7N55 Y57 E136 P142N55-N140 PolarHBondContact ND2-O 3.24Å; Y57-N140 HydrophobicContact CE2-CB 4.41Å; E136-N140 WeakPolarHBondContact O-CB 3.45Å; E136-N140 PolarHBondContact O-N 2.91Å; E136-N140 PolarHBondContact O-ND2 3.07Å; E136-N140 PolarHBondContact OE2-ND2 3.1Å; N140-P142 WeakPolarHBondContact O-CD 3.49Å; N140-P142 VanDerWaalsContact O-N 3.14Å
141R65.4Low62.5Low109 Ų10985 Ų8541%0.41141%0.412SS..  trans-54.6117.8173.2178.7176.6-179.2158.91.7108.8T78 L138 K139 H143T78-R141 PolarHBondContact O-NH1 2.77Å; L138-R141 VanDerWaalsContact O-CB 3.27Å; L138-R141 WeakPolarHBondContact O-CB 3.5Å; L138-R141 PolarHBondContact O-N 3.36Å; K139-R141 PolarHBondContact O-N 3.23Å; K139-R141 VanDerWaalsContact O-N 3.16Å; R141-H143 PolarHBondContact O-N 3.18Å
142P51.2Low60Low42 Ų4288.4 Ų88.427%0.27344%0.438SS..  trans-58.1141.4177.224.2-33.1000109.2N140 K144N140-P142 WeakPolarHBondContact O-CD 3.49Å; N140-P142 VanDerWaalsContact O-N 3.14Å; P142-K144 HydrophobicContact CG-CD 4.32Å; P142-K144 HydrophobicContact CG-CG 4.44Å; P142-K144 PolarHBondContact O-N 2.05Å
143H44.7Very low57.3Low173 Ų17393 Ų9380%0.80146%0.461SS*.  trans-71.956.9179.3-58.6-62.1000112.1R141 F145R141-H143 PolarHBondContact O-N 3.18Å; H143-F145 HydrophobicContact CB-CD2 4.49Å; H143-F145 HydrophobicContact CB-CE2 4.34Å; H143-F145 WeakPolarHBondContact O-CD2 3.21Å; H143-F145 PolarHBondContact O-N 3.36Å
144K41.8Very low55.1Low126 Ų12694.8 Ų94.855%0.54849%0.486SS..  trans-65.581.9159.9-67.4172.8-177.4167.40107D56 P142 L146D56-K144 IonicContact OD1-NZ 3.81Å; D56-K144 PolarHBondContact OD1-NZ 3.37Å; D56-K144 IonicContact OD2-NZ 3.75Å; D56-K144 PolarHBondContact OD2-NZ 3.22Å; P142-K144 HydrophobicContact CG-CD 4.32Å; P142-K144 HydrophobicContact CG-CG 4.44Å; P142-K144 PolarHBondContact O-N 2.05Å; K144-L146 PolarHBondContact O-N 2.97Å; K144-L146 VanDerWaalsContact O-N 3.11Å
145F30.5Very low52.4Low182 Ų182103.1 Ų103.180%0.79853%0.525SS*.PPolyproline II helixtrans-50.5117.3159.6-76.2-94.7000106.9H143 K147H143-F145 HydrophobicContact CB-CD2 4.49Å; H143-F145 HydrophobicContact CB-CE2 4.34Å; H143-F145 WeakPolarHBondContact O-CD2 3.21Å; H143-F145 PolarHBondContact O-N 3.36Å; F145-K147 PolarHBondContact O-N 2.86Å; F145-K147 VanDerWaalsContact O-N 3.12Å
146L32.9Very low50.2Low127 Ų127108.4 Ų108.467%0.66556%0.561SS**PPolyproline II helixtrans-59.1118.4163.2-68.7173.4000105.8K144K144-L146 PolarHBondContact O-N 2.97Å; K144-L146 VanDerWaalsContact O-N 3.11Å
147K29.2Very low47.8Very low150 Ų150110.5 Ų110.565%0.65258%0.578SS**PPolyproline II helixtrans-63.2140.6178.1-72.2-171.6173.9-172.60108.8F145 E149 E150F145-K147 PolarHBondContact O-N 2.86Å; F145-K147 VanDerWaalsContact O-N 3.12Å; K147-E149 WeakPolarHBondContact CB-OE2 3.45Å; K147-E149 PolarHBondContact O-N 3.32Å; K147-E150 PolarHBondContact O-N 2.89Å
148S36.7Very low45.4Very low93 Ų93118.1 Ų118.165%0.6562%0.616SS**G310 helixtrans-55.1-24.8-176.3-53.20000113.4E150 I151S148-E150 PolarHBondContact O-N 3.49Å; S148-I151 PolarHBondContact O-N 3.3Å
149E39.3Very low43.1Very low134 Ų134124 Ų12463%0.62665%0.648SS**G310 helixtrans-57.8-36.9175.2-67.181.1-119.500114.3K147 I151 S152K147-E149 WeakPolarHBondContact CB-OE2 3.45Å; K147-E149 PolarHBondContact O-N 3.32Å; E149-I151 PolarHBondContact O-N 2.86Å; E149-S152 PolarHBondContact O-N 3.23Å
150E38.6Very low41Very low137 Ų137125.7 Ų125.764%0.6467%0.666SS**G310 helixtrans-72.4-15.1-175.8-73.1-167.6142.300113.8K147 S148 S152K147-E150 PolarHBondContact O-N 2.89Å; S148-E150 PolarHBondContact O-N 3.49Å; E150-S152 VanDerWaalsContact C-N 3.28Å
151I42.3Very low39.7Very low148 Ų148130.2 Ų130.276%0.75969%0.688SS**G310 helixtrans-81.8-10.8177.4-33.9179.8000111.2S148 E149S148-I151 PolarHBondContact O-N 3.3Å; E149-I151 PolarHBondContact O-N 2.86Å
152S38.4Very low38.2Very low86 Ų86129 Ų12960%0.60170%0.697SS**  trans-109.538.4-167.7-159.90000114.6E149 E150 G154E149-S152 PolarHBondContact O-N 3.23Å; E150-S152 VanDerWaalsContact C-N 3.28Å; S152-G154 VanDerWaalsContact C-N 3.31Å; S152-G154 PolarHBondContact O-N 2.89Å
153N35.2Very low37.4Very low154 Ų154134.2 Ų134.282%0.82472%0.722SS**SBendtrans-79.774.6174-84.1-57.4000112.3
154G45.8Very low37.7Very low69 Ų69131 Ų13171%0.71172%0.717SS**SBendtrans109.449.8152.700000119.1S152S152-G154 VanDerWaalsContact C-N 3.31Å; S152-G154 PolarHBondContact O-N 2.89Å
155Q33.7Very low37.1Very low176 Ų176132.6 Ų132.682%0.82273%0.73SS**  trans-129.2142.8149.8-75-168-97.600110.4
156P41.9Very low37.1Very low120 Ų120131.6 Ų131.678%0.77973%0.728SS**  trans-73.9146.1-175.430.1-35000112.2
157V36.3Very low37.2Very low113 Ų113136.9 Ų136.969%0.68574%0.739SS**  trans-64.8140.2175.1178.40000110.7
158I38.5Very low37.2Very low164 Ų164141.1 Ų141.184%0.84175%0.751SS**  trans-121.3123.5153.4-64.4178.6000105.8
159D35.5Very low37.3Very low141 Ų141146 Ų14675%0.75476%0.76SS**  trans-71.2151.3-165.6-78.6-60.5000114.6
160T36.5Very low36.8Very low126 Ų126149.5 Ų149.577%0.77377%0.774SS**  trans-79.4129.7176.8-57.80000110.5
161I38.2Very low36.4Very low164 Ų164148.3 Ų148.384%0.84178%0.781SS**  trans-120.993.3162.5-57-177000109.3
162S35.7Very low36Very low84 Ų84145.6 Ų145.659%0.58778%0.781SS**  trans-72.3154.7149.445.90000108.5
163N33.4Very low36Very low152 Ų152147.6 Ų147.681%0.81379%0.792SS**  cis-149.7175.515.1-120.2-11.4000110.3
164P50.1Low35.9Very low106 Ų106147.3 Ų147.369%0.68879%0.785SS**  trans-84.5165.5-171.235.4-37.7000114.3
165L29.3Very low35.4Very low158 Ų158149.5 Ų149.583%0.82779%0.787SS**  trans-166.2166151.4-106.8166.4000114.7
166H31.6Very low35.1Very low161 Ų161149 Ų14975%0.74579%0.785SS**  trans-45.2131.8-162.6-66.9-43.7000124.4
167R34.7Very low34.8Very low239 Ų239149.7 Ų149.790%0.90279%0.786SS**  43.1103.5112.5-168.1-160.3-153.3-167.410.7119.7
168R28.6Very low35Very low239 Ų239149 Ų14990%0.90278%0.784SS**  trans-152.4162.8139-140.4166.5178.8147.4-1.7113.5
169K38.6Very low34.5Very low195 Ų195149.6 Ų149.685%0.84878%0.781SS**  trans-80.4150.9-179-52.8176.2-178.1-178.10110.9
170F30.1Very low34.3Very low207 Ų207149.7 Ų149.791%0.90878%0.781SS**  trans-121125.9163.5-72.6-77.4000111.1
171S30.4Very low33.9Very low112 Ų112152.9 Ų152.978%0.78378%0.784SS**  trans-104159.3161.7510000108.8
172A32.9Very low33.5Very low92 Ų92154.1 Ų154.176%0.7678%0.783SS**  trans-62.9167.8175.300000112.8
173P38.5Very low33.2Very low128 Ų128157.8 Ų157.883%0.83179%0.789SS**  -135.4172.1104.839.2-30.1000115.7
174E32.8Very low33.1Very low147 Ų147156 Ų15669%0.68778%0.776SS**  trans-80.9174.9179.3-147.6-167.6167.100112.4Q176E174-Q176 PolarHBondContact OE1-N 3.21Å
175P35.8Very low32.2Very low116 Ų116158.8 Ų158.875%0.75378%0.779SS**  -153.9127.590.336.7-16000118.9
176Q28.5Very low32.2Very low165 Ų165158 Ų15877%0.77178%0.776SS**  67.8146.3129.3-56.2-167.53.700124.2E174E174-Q176 PolarHBondContact OE1-N 3.21Å
177V34.7Very low32.4Very low134 Ų134158 Ų15881%0.81278%0.776SS**  trans-96.8-176.2-177.1-1220000111.4
178P40.5Very low32.3Very low99 Ų99152.6 Ų152.664%0.64377%0.765SS**  cis-139-166.236.229.9-1.2000114.3
179F28Very low32.4Very low177 Ų177147.8 Ų147.878%0.77676%0.757SS**  cis-167.4145.130.9-118.8-48000113.6
180L31.2Very low32.1Very low143 Ų143141.8 Ų141.875%0.74974%0.744SS**  trans56.5153.1151.5-76159000120.2
181K28.9Very low32.2Very low193 Ų193136.1 Ų136.184%0.83973%0.73SS**  cis-151.4167.48.9-156.3159.6-175.8179.70112
182K30.1Very low32.3Very low189 Ų189139.6 Ų139.682%0.82273%0.731SS**  trans-85.9157.6-179.2-57.9-178.9175-171.80115.4
183K28.2Very low32.1Very low161 Ų161142.1 Ų142.170%0.773%0.73SS**  -175.2132.3112.4-96.1-167.9174.1-80.60109
184E31.4Very low31.7Very low116 Ų116141.2 Ų141.254%0.54273%0.727SS.*  63133.497.4-60.1166.3-156.400113.4
185E31.2Very low31.6Very low164 Ų164142 Ų14277%0.76674%0.735SS**  cis-143.9-149.2-7-121.9133.9-160.700108.8
186D30.3Very low31.9Very low142 Ų142141.9 Ų141.976%0.75974%0.735SS**  cis-163.7-167.218.5-153.2-12.4000111.8
187E35.6Very low31.9Very low160 Ų160139.2 Ų139.275%0.74873%0.734SS**  trans-45.7166.9169.6-72.7-168.9176.600118.5
188N32.4Very low31.7Very low125 Ų125137.6 Ų137.667%0.66873%0.729SS**  cis-162.7-176.30.8-125.8-39.8000108.9
189D30.7Very low31.4Very low138 Ų138140 Ų14074%0.73874%0.736SS**  cis-156.8-178.4-5.8-179.731000109.1
190A31.6Very low31.7Very low69 Ų69138.8 Ų138.857%0.5774%0.736SS**  trans-44.8170.7160.500000116.6
191S32.1Very low31.7Very low88 Ų88142 Ų14262%0.61574%0.744SS**  cis-177.5-177.6-17.956.10000108.9
192K32.8Very low31.9Very low186 Ų186139.9 Ų139.981%0.80974%0.741SS**  trans70.4158162.1-67.5174.4-173.7172.30117.1
193I29.2Very low31.9Very low144 Ų144142.4 Ų142.474%0.73875%0.746SS**  cis-161.2165.4-33.9-117170.8000107.9
194S29.3Very low32.5Very low109 Ų109139.3 Ų139.376%0.76274%0.744SS**  trans72126159.762.80000122.1
195L32.1Very low32.6Very low163 Ų163143.1 Ų143.185%0.85376%0.759SS**  trans-74.8176.8145.8-74.987.9000109.4
196P41.8Very low32.8Very low115 Ų115139.7 Ų139.775%0.74775%0.754SS**  cis-144.5-179.513.344.5-25.8000118.2
197S28.7Very low33.4Very low109 Ų109140.4 Ų140.476%0.76276%0.757SS**  trans84.2147.3138.4-153.10000122.8
198S30.8Very low34Very low99 Ų99138.5 Ų138.569%0.69276%0.759SS**  trans97.4107.1144.374.30000121.9
199L32.4Very low34.1Very low151 Ų151137.7 Ų137.779%0.79176%0.763SS**  65112.2127.5-59.7175.5000122.1
200L35.2Very low34.4Very low151 Ų151135.4 Ų135.479%0.79176%0.758SS**  43.6119.2124.9-57.2177.8000119.8
201K31.9Very low34.8Very low209 Ų209141.9 Ų141.991%0.90977%0.773SS**  -155.7139.3125.5-121.3157.8-172.2166.70114.8
202L32.7Very low34.9Very low149 Ų149142.1 Ų142.178%0.7878%0.78SS**  trans-65.9157.1164.4-76.163000110
203R30.5Very low35Very low243 Ų243137.4 Ų137.492%0.91778%0.776SS**  trans-128.4120143.8-74.4-171.1178.5176.40.7109.3
204S39.7Very low35.3Very low95 Ų95138.5 Ų138.566%0.66478%0.783SS**  trans-121.7138.3160.7178.10000106.5
205F34.6Very low35.5Very low196 Ų196136.3 Ų136.386%0.8678%0.778SS**  trans-151.6137.1166.2-84.5-70.7000108.5
206S35.1Very low35.5Very low93 Ų93136.2 Ų136.265%0.6578%0.779SS**  trans-129161.3176.9-510000109.4
207D42.4Very low35.1Very low157 Ų157135.3 Ų135.384%0.8477%0.771SS**  trans69.7163.6154.3-72.917.7000115.9
208P48.9Very low35.5Very low119 Ų119137.9 Ų137.977%0.77377%0.771SS**  cis-149.8-175.431.243.9-22.9000120
209S33.3Very low35.7Very low108 Ų108141 Ų14176%0.75578%0.775SS**  trans90.2147.7139.2-165.40000120.4
210S38.2Very low35.7Very low90 Ų90140.2 Ų140.263%0.62977%0.77SS**  cis-173.5159.8-37.961.40000113
211K39.9Very low35.5Very low205 Ų205139.3 Ų139.389%0.89177%0.771SS**  trans63.7160.2157.2-69.5-179.6175.5-173.10118.1
212A33.4Very low35.6Very low94 Ų94137.7 Ų137.778%0.77777%0.767SS**  cis-148.5-168600000109.7
213A34.3Very low35.5Very low87 Ų87137.2 Ų137.272%0.71977%0.765SS**  cis-161179.1-1.900000111.8
214D36.3Very low35.4Very low166 Ų166129.5 Ų129.589%0.88875%0.748SS**  trans-23.2160.5162-38.8-34.9000120.6
215G32.5Very low35.1Very low63 Ų63129.4 Ų129.465%0.64975%0.748SS**  cis167173.7-3.100000114.8
216N33.2Very low35Very low162 Ų162131.6 Ų131.687%0.86675%0.75SS**  trans71.4153.9164.3-63.612000119.9
217T32.8Very low34.9Very low95 Ų95138.5 Ų138.558%0.58376%0.762SS**  cis-172.1145.1-16.7-89.30000111.7
218E38.3Very low34.9Very low163 Ų163136.1 Ų136.176%0.76276%0.755SS**  trans49.2120.3158.8-72.1147.6-140.500122.1
219E35.1Very low34Very low166 Ų166136.8 Ų136.878%0.77676%0.757SS**  84.5151.287.9-68.8-145.2136.900115.9
220L32.3Very low34.4Very low134 Ų134137 Ų13770%0.70276%0.759SS**  cis-164.1-172.9-5.4-119.5-179.4000112.6
221V30.4Very low34.3Very low132 Ų132140.4 Ų140.480%0.877%0.765SS**  trans87.9152160.7-161.40000120.1
222E34.1Very low34.8Very low175 Ų175136.7 Ų136.782%0.81876%0.762SS**  trans-79177.9-175.8-56.7166.6122.200113.1
223D30.3Very low34.7Very low138 Ų138136.7 Ų136.774%0.73875%0.752SS**  cis-170.2165.540.9-178.439.9000115.8
224S29.2Very low34.8Very low81 Ų81139.7 Ų139.757%0.56676%0.756SS**  trans29.1123.6156.773.90000126.9
225S31.6Very low34.6Very low94 Ų94137.8 Ų137.866%0.65775%0.745SS**  82.2123.4128.878.90000122.8
226R34Very low34.7Very low241 Ų241145 Ų14591%0.90975%0.754SS**  173.2154.4114.6-88.8157.8-163.8-145.93.4113.8
227R32.8Very low34.8Very low238 Ų238144.6 Ų144.690%0.89875%0.752SS**  trans-107.9175.2163.5-87.3-174.8178.7178.90.6107.8
228P42.3Very low35Very low108 Ų108150.2 Ų150.270%0.70176%0.764SS**  cis-149.3-167.826.239.8-15.9000118.3
229T29.2Very low35Very low133 Ų133148.2 Ų148.282%0.81677%0.765SS**  trans70.8152.2157.527.10000119.2
230S42.8Very low35Very low113 Ų113149.6 Ų149.679%0.7977%0.769SS**  cis-151.8172.9348.60000114.3
231E35.9Very low35.1Very low161 Ų161148.8 Ų148.875%0.75277%0.774SS**  trans-61.6165.1176.6-86.8172.3-173.600116.7V233E231-V233 HydrophobicContact CB-CG2 4.17Å; E231-V233 HydrophobicContact CG-CG2 4.43Å
232P49.4Very low35.3Very low127 Ų127150.1 Ų150.183%0.82578%0.777SS**  -116158.266.93.319.9000113.9
233V31.2Very low35.2Very low94 Ų94153.6 Ų153.657%0.5778%0.782SS**  cis113.8138.719.8163.10000112.6E231E231-V233 HydrophobicContact CB-CG2 4.17Å; E231-V233 HydrophobicContact CG-CG2 4.43Å
234N36.6Very low35.5Very low150 Ų150157 Ų15780%0.80279%0.791SS**  trans74.3149.2178.6-64.5-12.9000118.3
235D32.4Very low35.5Very low126 Ų126165 Ų16567%0.67481%0.809SS**  cis-163.2169.7-31.1-163.911.7000109.6
236Y34.5Very low35.4Very low214 Ų214164.9 Ų164.984%0.83981%0.813SS**  trans105.7132.1166.4-70.8-71000120.4
237D35.4Very low35.3Very low153 Ų153158.4 Ų158.482%0.81881%0.805SS**  trans-72.9153.2-172.4-104.4-53.5000115.2
238Y36.5Very low35.3Very low214 Ų214153.4 Ų153.484%0.83980%0.801SS**  trans-139.2125.1156.7-136.2-86.2000110.4K240Y238-K240 PolarHBondContact O-N 3.22Å
239P40Very low34.8Very low120 Ų120155.7 Ų155.778%0.77981%0.806SS**PPolyproline II helixtrans-65.6121.5-168.6-2434.3000114.1
240K34.8Very low34.7Very low196 Ų196160 Ų16085%0.85281%0.807SS**PPolyproline II helixtrans-79.8120.9174-72172.4-178.8163.40111.2Y238Y238-K240 PolarHBondContact O-N 3.22Å
241S34.2Very low34Very low116 Ų116159.6 Ų159.681%0.81181%0.81SS**PPolyproline II helixtrans-76.6131.4164.653.90000110.6R243S241-R243 PolarHBondContact O-N 3.24Å
242N33.6Very low33.7Very low161 Ų161155.2 Ų155.286%0.86181%0.809SS**PPolyproline II helixtrans-72116.8-171.1-78.3-48.6000112.9
243R32.7Very low33.2Very low247 Ų247154.5 Ų154.593%0.93281%0.807SS**  trans-86.2110.1159.5-78.6-174.1170-168.4-3110.1S241S241-R243 PolarHBondContact O-N 3.24Å
244K36.2Very low33.6Very low209 Ų209157.6 Ų157.691%0.90982%0.817SS**  trans-97.3153.6156-80.1-171.1174.5-177.80109.9
245R30.4Very low33.3Very low250 Ų250158.8 Ų158.894%0.94382%0.818SS**  trans-129.6111.9-167.2-167.7-170.6-155.3-1806.9110.3
246A29.1Very low33.7Very low92 Ų92157.9 Ų157.976%0.7682%0.821SS**  trans-154.5102.616700000105.8
247S31.5Very low34Very low104 Ų104154.2 Ų154.273%0.72782%0.816SS**  94.787.963.366.90000112.6
248V32.2Very low34.2Very low134 Ų134157 Ų15781%0.81282%0.816SS**  trans65.8110.8149.8-170.20000118.1
249L32.3Very low34.1Very low155 Ų155154.5 Ų154.581%0.81281%0.812SS**  -164.9111.6114.1-104.4172.3000113.9
250R27.7Very low34.3Very low225 Ų225152 Ų15285%0.84980%0.797SS**  trans52.3122.8142.2-168.9171.4-68.6-147.7-0.8122.3
251A27.3Very low34.5Very low103 Ų103149.7 Ų149.785%0.85179%0.791SS**  trans70.9145156.500000118.3
252G30.1Very low35Very low70 Ų70150.2 Ų150.272%0.72278%0.784SS**  cis-133.8162-1.400000112.3
253S39Very low35.2Very low112 Ų112148 Ų14878%0.78377%0.768SS**  trans-72.3136.5-179.6-175.60000111.8
254M39.6Very low35.5Very low158 Ų158143.6 Ų143.678%0.77876%0.756SS**  trans-13212.6169.7-147.617575.900112.6S256M254-S256 PolarHBondContact O-N 2.65Å
255E30.8Very low35.7Very low176 Ų176141.5 Ų141.582%0.82275%0.747SS**  trans-76.93.6-174-134.272.3-140.800113.9
256S39.5Very low35.9Very low107 Ų107133 Ų13375%0.74873%0.725SS**  trans-106.135.3-167.4-170.80000113.9M254M254-S256 PolarHBondContact O-N 2.65Å
257L40.7Very low36.4Very low137 Ų137134.4 Ų134.472%0.71772%0.719SS**SBendtrans-125.80-179.3-68.6176.4000114.6
258Y39.3Very low36.6Very low211 Ų211136.4 Ų136.483%0.82772%0.721SS**SBendtrans-90.8-23.3-173.2-121.6-94.7000115.2
259E34.3Very low36.8Very low161 Ų161136.8 Ų136.875%0.75272%0.718SS**SBendtrans-70.9-41.7-176.1-122.459.7-144.500114.1M261 I262E259-M261 PolarHBondContact O-N 2.74Å; E259-I262 PolarHBondContact O-N 3.16Å; E259-I262 VanDerWaalsContact O-N 3.14Å
260S44.8Very low36.8Very low67 Ų67134.9 Ų134.947%0.46971%0.713SS.*THydrogen-bonded Turntrans-69.1-13.2-166.7-166.60000114.6I262 E263S260-I262 PolarHBondContact O-N 3.45Å; S260-E263 PolarHBondContact O-N 2.75Å; S260-E263 PolarHBondContact OG-OE2 2.83Å; S260-E263 VanDerWaalsContact OG-OE2 3.13Å
261M38.6Very low36.9Very low149 Ų149129.4 Ų129.473%0.73471%0.709SS**THydrogen-bonded Turntrans-68.3-12.5173.6-73.6-64.3-58.200113.8E259E259-M261 PolarHBondContact O-N 2.74Å
262I44.5Very low37.1Very low126 Ų126133.1 Ų133.165%0.64671%0.709SS**THydrogen-bonded Turntrans-80.4-45.5173.2-60.7-63.7000111.2E259 S260 F264 K265E259-I262 PolarHBondContact O-N 3.16Å; E259-I262 VanDerWaalsContact O-N 3.14Å; S260-I262 PolarHBondContact O-N 3.45Å; I262-F264 VanDerWaalsContact C-N 3.26Å; I262-F264 PolarHBondContact O-N 3.09Å; I262-K265 PolarHBondContact O-N 3.2Å
263E38.3Very low37.7Very low114 Ų114135.1 Ų135.153%0.53371%0.709SS.*Hα-helixtrans-59.7-34-174.5-65.6176.8112.500113.2S260 K265 S266 I267S260-E263 PolarHBondContact O-N 2.75Å; S260-E263 PolarHBondContact OG-OE2 2.83Å; S260-E263 VanDerWaalsContact OG-OE2 3.13Å; E263-K265 PolarHBondContact O-N 2.76Å; E263-K265 VanDerWaalsContact O-N 3.09Å; E263-S266 WeakPolarHBondContact CA-OG 3.28Å; E263-S266 PolarHBondContact O-N 3.3Å; E263-S266 PolarHBondContact O-OG 2.78Å; E263-I267 WeakPolarHBondContact O-CG1 3.49Å; E263-I267 PolarHBondContact O-N 3.49Å
264F39.8Very low37.1Very low155 Ų155137.5 Ų137.568%0.6871%0.713SS**Hα-helixtrans-64.8-12.2178.8-119.5-79.6000114.3I262I262-F264 VanDerWaalsContact C-N 3.26Å; I262-F264 PolarHBondContact O-N 3.09Å
265K39.2Very low36.8Very low166 Ų166137.9 Ų137.972%0.72272%0.718SS**Hα-helixtrans-89.9-27.1170.2-73.1-174.2175-178.70113.6I262 E263I262-K265 PolarHBondContact O-N 3.2Å; E263-K265 PolarHBondContact O-N 2.76Å; E263-K265 VanDerWaalsContact O-N 3.09Å
266S35.8Very low36.6Very low70 Ų70135 Ų13549%0.4972%0.717SS.*Hα-helixtrans-76.9-33.4177.130.40000112.9E263 L268 N269E263-S266 WeakPolarHBondContact CA-OG 3.28Å; E263-S266 PolarHBondContact O-N 3.3Å; E263-S266 PolarHBondContact O-OG 2.78Å; S266-L268 PolarHBondContact O-N 3.01Å; S266-L268 VanDerWaalsContact O-N 3.15Å; S266-N269 PolarHBondContact O-N 3.09Å; S266-N269 VanDerWaalsContact O-N 3.15Å
267I38.9Very low36.1Very low123 Ų123138.7 Ų138.763%0.63172%0.719SS**G310 helixtrans-63-21.4-179.2-65.4166.5000112.4E263 N269E263-I267 WeakPolarHBondContact O-CG1 3.49Å; E263-I267 PolarHBondContact O-N 3.49Å; I267-N269 VanDerWaalsContact C-N 3.33Å; I267-N269 PolarHBondContact O-N 3.05Å
268L36.8Very low35.5Very low146 Ų146138 Ų13876%0.76472%0.721SS**G310 helixtrans-78-8.4177.7-81.3164.9000115.1S266S266-L268 PolarHBondContact O-N 3.01Å; S266-L268 VanDerWaalsContact O-N 3.15Å
269N36.6Very low35Very low141 Ų141134.7 Ų134.775%0.75471%0.713SS**G310 helixtrans-120.113.5-167-77.1-5.6000115.1S266 I267S266-N269 PolarHBondContact O-N 3.09Å; S266-N269 VanDerWaalsContact O-N 3.15Å; I267-N269 VanDerWaalsContact C-N 3.33Å; I267-N269 PolarHBondContact O-N 3.05Å
270V31.2Very low34.8Very low116 Ų116133.2 Ų133.270%0.70371%0.714SS**SBendtrans-138.1133.8-179.5-174.30000112.5
271S29.6Very low34.1Very low110 Ų110137.8 Ų137.877%0.76973%0.73SS**  trans64.7118.1165.253.20000120.4
272E32Very low33.7Very low180 Ų180134.7 Ų134.784%0.84172%0.719SS**  trans-73.6178.7144.7-51174.5121.700110.2
273P41.4Very low33.5Very low112 Ų112135.3 Ų135.373%0.72772%0.724SS**  -121.6152.2-61.935.6-23.4000110.7
274N26.4Very low33.3Very low163 Ų163133 Ų13387%0.87273%0.731SS**  trans-145.2145.7163.6-87.9-71.7000109.3C276N274-C276 PolarHBondContact O-N 3.21Å
275D35.2Very low33.2Very low165 Ų165130.5 Ų130.588%0.88273%0.729SS**  trans-67.9122.8-166.1-70.8-68.1000114.1
276C26.6Very low33.5Very low117 Ų117125 Ų12579%0.79171%0.707SS**  trans-145.3127.4156.8-91.70000109.3N274 V278N274-C276 PolarHBondContact O-N 3.21Å; C276-V278 PolarHBondContact O-N 3.25Å
277K28.6Very low33.6Very low184 Ų184126.3 Ų126.380%0.871%0.706SS**  trans-63.7128.7177-75-177.9174.6-179.30110.5
278V27Very low33.5Very low123 Ų123125.9 Ų125.975%0.74570%0.697SS**  trans-127.2113.6168.8-179.50000108.2C276C276-V278 PolarHBondContact O-N 3.25Å
279E30.2Very low33.9Very low141 Ų141120.4 Ų120.466%0.65967%0.671SS**  trans-75.8127.8175.2-76.2170.4-162.700110.4M281 Q390E279-M281 PolarHBondContact O-N 2.65Å; E279-Q390 PolarHBondContact OE1-NE2 3.2Å
280V29.7Very low34.3Very low129 Ų129113.7 Ų113.778%0.78264%0.635SS**  trans-90.294-178.1179.60000109.1V282V280-V282 PolarHBondContact O-N 3.13Å
281M30.5Very low34.7Very low163 Ų163111.3 Ų111.380%0.80362%0.621SS**  trans-72.5106.7178.9-163.9-179.1-164.800111.3E279E279-M281 PolarHBondContact O-N 2.65Å
282V29.9Very low35.6Very low85 Ų85110 Ų11052%0.51561%0.605SS.*  trans-74.6147.4178.3179.40000110.8V280 G284V280-V282 PolarHBondContact O-N 3.13Å; V282-G284 PolarHBondContact O-N 3.28Å
283N39.1Very low36.5Very low138 Ų138103.5 Ų103.574%0.73858%0.578SS**  trans-85.7101-169.1-74.5-95.4000113.1
284G35.2Very low36.7Very low67 Ų67102.6 Ų102.669%0.69156%0.56SS**  trans134.2112.713700000118.8V282V282-G284 PolarHBondContact O-N 3.28Å
285T37.5Very low37.7Very low102 Ų10298.8 Ų98.863%0.62654%0.543SS*.  trans-156.2104134-73.30000109R288T285-R288 HydrophobicContact CG2-CB 3.82Å
286L44.5Very low38.3Very low51 Ų5197.1 Ų97.127%0.26753%0.528SS..Hα-helixtrans-57.3-61.7-174.5169.254.1000113.7S81 L82 R288 S289 I290S81-L286 WeakPolarHBondContact O-CD1 3.41Å; L82-L286 HydrophobicContact CD2-CD1 4.47Å; L286-R288 VanDerWaalsContact C-N 3.32Å; L286-R288 PolarHBondContact O-N 2.6Å; L286-S289 PolarHBondContact O-N 3.14Å; L286-I290 HydrophobicContact CD1-CD1 3.79Å; L286-I290 HydrophobicContact CD1-CG1 4.13Å; L286-I290 PolarHBondContact O-N 2.91Å
287M37.7Very low39.3Very low96 Ų9695.3 Ų95.347%0.47351%0.505SS..Hα-helixtrans-70.9-26.5-163.7-67.5-59.8-64.800114T291M287-T291 PolarHBondContact O-OG1 2.94Å
288R37.6Very low40Very low114 Ų11491.4 Ų91.443%0.4349%0.488SS..Hα-helixtrans-66.9-52.2174.9-140.7-174-171.1156-0.6109.7T285 L286 I290 T291 D292 M361T285-R288 HydrophobicContact CG2-CB 3.82Å; L286-R288 VanDerWaalsContact C-N 3.32Å; L286-R288 PolarHBondContact O-N 2.6Å; R288-I290 PolarHBondContact O-N 2.9Å; R288-T291 CarbonylContact O-C 3.54Å; R288-T291 WeakPolarHBondContact O-CA 3.48Å; R288-T291 VanDerWaalsContact O-CB 3.32Å; R288-T291 WeakPolarHBondContact O-CB 3.39Å; R288-T291 PolarHBondContact O-N 2.8Å; R288-D292 VanDerWaalsContact C-OD2 3.24Å; R288-D292 WeakPolarHBondContact CG-OD2 3.27Å; R288-D292 PolarHBondContact O-N 2.91Å; R288-D292 VanDerWaalsContact O-OD2 3.09Å; R288-M361 PolarHBondContact NH1-SD 2.92Å
289S45.5Very low41Very low31 Ų3189 Ų8922%0.21748%0.481CS..Hα-helixtrans-62.2-34.7-172.9-156.60000114.6Y84 L286 T291 V293Y84-S289 WeakPolarHBondContact CE1-OG 3.2Å; Y84-S289 PolarHBondContact OH-OG 2.89Å; L286-S289 PolarHBondContact O-N 3.14Å; S289-T291 VanDerWaalsContact C-N 3.31Å; S289-T291 PolarHBondContact O-N 3.27Å; S289-V293 WeakPolarHBondContact O-CB 3.34Å; S289-V293 WeakPolarHBondContact O-CG2 3.47Å; S289-V293 PolarHBondContact O-N 2.79Å
290I43.8Very low41.6Very low1 Ų188.8 Ų88.81%0.00548%0.48CS..Hα-helixtrans-67.7-35.2173.4-37.8173.5000111.2L83 F131 F135 L286 R288 Y294L83-I290 HydrophobicContact CB-CD1 4.16Å; F131-I290 HydrophobicContact CE2-CG2 3.86Å; F131-I290 HydrophobicContact CZ-CG2 3.6Å; F135-I290 HydrophobicContact CD1-CG2 3.94Å; F135-I290 HydrophobicContact CD2-CB 4.2Å; F135-I290 HydrophobicContact CD2-CD1 4.23Å; F135-I290 HydrophobicContact CD2-CG2 3.54Å; F135-I290 HydrophobicContact CE1-CG2 3.88Å; F135-I290 HydrophobicContact CE2-CB 3.7Å; F135-I290 HydrophobicContact CE2-CD1 4.21Å; F135-I290 HydrophobicContact CE2-CG2 3.48Å; F135-I290 VanDerWaalsContact CE2-CG2 3.48Å; F135-I290 HydrophobicContact CG-CG2 3.77Å; F135-I290 HydrophobicContact CZ-CB 3.91Å; F135-I290 HydrophobicContact CZ-CG2 3.65Å; L286-I290 HydrophobicContact CD1-CD1 3.79Å; L286-I290 HydrophobicContact CD1-CG1 4.13Å; L286-I290 PolarHBondContact O-N 2.91Å; R288-I290 PolarHBondContact O-N 2.9Å; I290-Y294 WeakPolarHBondContact O-CB 3.28Å; I290-Y294 PolarHBondContact O-N 3.25Å
291T41.4Very low41.9Very low66 Ų6688.7 Ų88.741%0.40547%0.471SS..Hα-helixtrans-72.3-46.8179.4-50.20000110.9M287 R288 S289 V293 Y294 T295M287-T291 PolarHBondContact O-OG1 2.94Å; R288-T291 CarbonylContact O-C 3.54Å; R288-T291 WeakPolarHBondContact O-CA 3.48Å; R288-T291 VanDerWaalsContact O-CB 3.32Å; R288-T291 WeakPolarHBondContact O-CB 3.39Å; R288-T291 PolarHBondContact O-N 2.8Å; S289-T291 VanDerWaalsContact C-N 3.31Å; S289-T291 PolarHBondContact O-N 3.27Å; T291-V293 PolarHBondContact O-N 2.9Å; T291-Y294 PolarHBondContact O-N 3.33Å; T291-T295 PolarHBondContact O-N 2.78Å; T291-T295 PolarHBondContact O-OG1 2.85Å
292D47.9Very low42Very low83 Ų8385.2 Ų85.244%0.44446%0.463SS..Hα-helixtrans-66.5-34.9-179.1-54.9-35000112.2R288 T295 K296R288-D292 VanDerWaalsContact C-OD2 3.24Å; R288-D292 WeakPolarHBondContact CG-OD2 3.27Å; R288-D292 PolarHBondContact O-N 2.91Å; R288-D292 VanDerWaalsContact O-OD2 3.09Å; D292-T295 PolarHBondContact O-OG1 3.31Å; D292-T295 VanDerWaalsContact O-OG1 3.12Å; D292-K296 WeakPolarHBondContact O-CB 3.2Å; D292-K296 PolarHBondContact O-N 2.86Å
293V49.7Very low42.3Very low43 Ų4387 Ų8726%0.26148%0.476SS..Hα-helixtrans-68.4-39.7173168.70000111.2Y84 S289 T291 Y297Y84-V293 HydrophobicContact CD1-CG2 4.38Å; Y84-V293 HydrophobicContact CE1-CG2 4.47Å; S289-V293 WeakPolarHBondContact O-CB 3.34Å; S289-V293 WeakPolarHBondContact O-CG2 3.47Å; S289-V293 PolarHBondContact O-N 2.79Å; T291-V293 PolarHBondContact O-N 2.9Å; V293-Y297 WeakPolarHBondContact O-CB 3.48Å; V293-Y297 PolarHBondContact O-N 2.84Å
294Y47.1Very low42Very low92 Ų9284.6 Ų84.636%0.36148%0.475SS..Hα-helixtrans-71.3-39.9179.7-178.1-98.6000113F131 F135 I290 T291 K296 Y297 K298F131-Y294 HydrophobicContact CE1-CD2 4.42Å; F135-Y294 HydrophobicContact CE1-CG 4.48Å; I290-Y294 WeakPolarHBondContact O-CB 3.28Å; I290-Y294 PolarHBondContact O-N 3.25Å; T291-Y294 PolarHBondContact O-N 3.33Å; Y294-K296 VanDerWaalsContact C-N 3.34Å; Y294-Y297 PolarHBondContact O-N 3.25Å; Y294-K298 HydrophobicContact CD1-CG 4.48Å; Y294-K298 HydrophobicContact CE1-CG 3.88Å; Y294-K298 HydrophobicContact CE2-CG 4.17Å; Y294-K298 PolarHBondContact O-N 3.07Å; Y294-K298 VanDerWaalsContact OH-CE 3.31Å; Y294-K298 WeakPolarHBondContact OH-CE 3.48Å
295T46.6Very low41.8Very low84 Ų8487.4 Ų87.452%0.51548%0.481SS..Hα-helixtrans-64.4-39.4175.1500000111.6T291 D292 K298 A299T291-T295 PolarHBondContact O-N 2.78Å; T291-T295 PolarHBondContact O-OG1 2.85Å; D292-T295 PolarHBondContact O-OG1 3.31Å; D292-T295 VanDerWaalsContact O-OG1 3.12Å; T295-K298 PolarHBondContact O-N 2.87Å; T295-A299 PolarHBondContact O-N 3.14Å
296K48.5Very low41.4Very low129 Ų12989.6 Ų89.656%0.56149%0.488SS*.Hα-helixtrans-61.8-49.2172.1-172177.5178.3-176.20111.9D292 Y294 K298 A299 E300D292-K296 WeakPolarHBondContact O-CB 3.2Å; D292-K296 PolarHBondContact O-N 2.86Å; Y294-K296 VanDerWaalsContact C-N 3.34Å; K296-K298 VanDerWaalsContact C-N 3.29Å; K296-K298 PolarHBondContact O-N 3.06Å; K296-A299 WeakPolarHBondContact O-CB 3.35Å; K296-A299 PolarHBondContact O-N 3.47Å; K296-A299 VanDerWaalsContact O-N 3.08Å; K296-E300 VanDerWaalsContact CE-OE1 3.28Å; K296-E300 WeakPolarHBondContact CE-OE1 3.38Å; K296-E300 PolarHBondContact O-N 3.49Å
297Y47.6Very low40.6Very low80 Ų8092 Ų9231%0.31451%0.509SS..Hα-helixtrans-59.1-38.2178.6-118.2-92.1000112.8N86 V293 Y294 A299 E300N86-Y297 HydrophobicContact CB-CE2 3.89Å; N86-Y297 WeakPolarHBondContact CB-OH 3.22Å; N86-Y297 PolarHBondContact ND2-OH 3.41Å; V293-Y297 WeakPolarHBondContact O-CB 3.48Å; V293-Y297 PolarHBondContact O-N 2.84Å; Y294-Y297 PolarHBondContact O-N 3.25Å; Y297-A299 VanDerWaalsContact C-N 3.34Å; Y297-A299 PolarHBondContact O-N 3.22Å; Y297-E300 PolarHBondContact O-N 3.12Å
298K41.9Very low40.2Very low102 Ų10294.8 Ų94.844%0.44353%0.526SS..Hα-helixtrans-73.2-20.7177-83.1-70.4167.4-159.90114.6Y294 T295 K296 E300 E301Y294-K298 HydrophobicContact CD1-CG 4.48Å; Y294-K298 HydrophobicContact CE1-CG 3.88Å; Y294-K298 HydrophobicContact CE2-CG 4.17Å; Y294-K298 PolarHBondContact O-N 3.07Å; Y294-K298 VanDerWaalsContact OH-CE 3.31Å; Y294-K298 WeakPolarHBondContact OH-CE 3.48Å; T295-K298 PolarHBondContact O-N 2.87Å; K296-K298 VanDerWaalsContact C-N 3.29Å; K296-K298 PolarHBondContact O-N 3.06Å; K298-E300 VanDerWaalsContact C-N 3.35Å; K298-E301 IonicContact NZ-OE2 2.6Å; K298-E301 PolarHBondContact NZ-OE2 2.94Å
299A48.3Very low39.9Very low72 Ų7298.2 Ų98.260%0.59555%0.547SS*.Hα-helixtrans-76-23.2173.100000112.9T295 K296 Y297T295-A299 PolarHBondContact O-N 3.14Å; K296-A299 WeakPolarHBondContact O-CB 3.35Å; K296-A299 PolarHBondContact O-N 3.47Å; K296-A299 VanDerWaalsContact O-N 3.08Å; Y297-A299 VanDerWaalsContact C-N 3.34Å; Y297-A299 PolarHBondContact O-N 3.22Å
300E44.4Very low39.2Very low137 Ų137101.3 Ų101.364%0.6457%0.574SS**SBendtrans-88.5-5.1-179.8-66.4175.6-164.400113.1K296 Y297 K298K296-E300 VanDerWaalsContact CE-OE1 3.28Å; K296-E300 WeakPolarHBondContact CE-OE1 3.38Å; K296-E300 PolarHBondContact O-N 3.49Å; Y297-E300 PolarHBondContact O-N 3.12Å; K298-E300 VanDerWaalsContact C-N 3.35Å
301E35.1Very low38.7Very low127 Ų127107.5 Ų107.559%0.59361%0.614SS**SBendtrans-108.82.3-169.9-145.1-178.1-153.800114.8K298K298-E301 IonicContact NZ-OE2 2.6Å; K298-E301 PolarHBondContact NZ-OE2 2.94Å
302S32.2Very low38.3Very low89 Ų89108.9 Ų108.962%0.62263%0.633SS**PPolyproline II helixtrans-86.8123.5179.657.80000112.6
303P36.3Very low37.7Very low124 Ų124113.5 Ų113.581%0.80565%0.651SS**PPolyproline II helixtrans-71.1142.5174.929.8-34.4000111.5
304A33.4Very low36.7Very low86 Ų86119.8 Ų119.871%0.71168%0.684SS**PPolyproline II helixtrans-65.7148.6176.200000111.8I306A304-I306 PolarHBondContact O-N 2.67Å
305P31Very low36Very low126 Ų126118.6 Ų118.682%0.81870%0.699SS**PPolyproline II helixtrans-67.2133.1177.828.2-34.6000111.2S307P305-S307 PolarHBondContact O-N 3.36Å
306I28.4Very low35.4Very low148 Ų148124.5 Ų124.576%0.75972%0.721SS**  trans-74.1114176.8-61.3172.4000109.1A304 N308A304-I306 PolarHBondContact O-N 2.67Å; I306-N308 PolarHBondContact O-N 2.83Å
307S29.1Very low34.7Very low103 Ų103125.5 Ų125.572%0.7273%0.733SS**  trans-76.3114.2170.546.70000110.6P305 E309P305-S307 PolarHBondContact O-N 3.36Å; S307-E309 PolarHBondContact O-N 3.26Å
308N29.3Very low34.1Very low153 Ų153130.2 Ų130.282%0.81875%0.754SS**  trans-86.2101.1173.5-67.7-39.9000110.2I306I306-N308 PolarHBondContact O-N 2.83Å
309E31Very low33.9Very low187 Ų187135.1 Ų135.187%0.87477%0.77SS**PPolyproline II helixtrans-91.5134.4164-71.6-171.4125.500110.4S307S307-E309 PolarHBondContact O-N 3.26Å
310A30.5Very low33.2Very low95 Ų95139.4 Ų139.479%0.78578%0.778SS**PPolyproline II helixtrans-102.9129174.800000109.8
311P34Very low32.8Very low132 Ų132137.7 Ų137.786%0.85778%0.781SS**PPolyproline II helixtrans-78.9141.7179.131.8-34.1000111.7
312A31.7Very low32.8Very low95 Ų95136 Ų13679%0.78578%0.783SS**  trans-106.5136.3178.100000112.8
313E35Very low32.9Very low179 Ų179138 Ų13884%0.83679%0.787SS**  trans18.8121.8159-57.8-17012400121.6
314N29.7Very low32.7Very low176 Ų176140.9 Ų140.994%0.94179%0.787SS**  -156.3138.6112.2-90.7-72.8000106.9
315G31.8Very low32.7Very low67 Ų67141.8 Ų141.869%0.69179%0.789SS**  cis149.7135.3-4.400000109.5
316E34.3Very low32.9Very low208 Ų208142 Ų14297%0.97279%0.788SS**  trans-165.4145166-122.1174.8-146.100113.7
317D33.2Very low33.1Very low150 Ų150140 Ų14080%0.80279%0.786SS**  trans-84.2147.1-172.5-68.4-76.3000115.5
318K36.5Very low33.7Very low178 Ų178140.4 Ų140.477%0.77479%0.79SS**  -175.2127.9116.7-99148.6-168.61530114.7
319R36.9Very low34.2Very low206 Ų206139.2 Ų139.278%0.77779%0.793SS**  43.6144.2125.7-58.2177.5-174.9-160.61.2119.3
320Q34.4Very low34.2Very low161 Ų161133.9 Ų133.975%0.75279%0.788SS**  cis-163.7150.9-5.7-106.2162.9-56.200103.8
321S34.7Very low34.3Very low102 Ų102134 Ų13471%0.71379%0.789SS**  176.5142.682.159.70000112.2
322S36.5Very low34.2Very low90 Ų90134.3 Ų134.363%0.62979%0.789SS**  trans29.1144.5133.963.60000122.2
323D33.5Very low34.3Very low133 Ų133134.9 Ų134.971%0.71179%0.787SS**  cis-169.1-179.9-4.1-101.3-27.4000110.6
324F31.1Very low34.8Very low183 Ų183131.7 Ų131.780%0.80378%0.782SS**  trans84.797.6161.9-55.2-70.8000120.1
325S34.9Very low34.7Very low106 Ų106130.3 Ų130.374%0.74177%0.774SS**  31.8138.6121.1-47.90000119.8
326T34.3Very low35Very low130 Ų130135 Ų13580%0.79878%0.782SS**  -168.8124.263.6-62.40000114.6
327S33.2Very low34.8Very low105 Ų105132.7 Ų132.773%0.73478%0.776SS**  trans37.9142.9139.9-150.10000124.7
328S40.3Very low34.6Very low113 Ų113134.8 Ų134.879%0.7978%0.78SS**  trans85.2153.7146.779.70000120
329S39.9Very low34.1Very low127 Ų127131.6 Ų131.689%0.88878%0.776SS**  cis-178.4141-33.3-174.10000107.8
330G32.1Very low33.7Very low75 Ų75128.8 Ų128.877%0.77378%0.776SS**  trans153.9113.7168.900000115.6
331A32.5Very low33.4Very low98 Ų98125.5 Ų125.581%0.8177%0.771SS**  trans-91173159.900000108.8
332V32.6Very low33.1Very low138 Ų138128.8 Ų128.884%0.83678%0.775SS**  cis-156.9167.337.1-740000112
333S33.8Very low33.1Very low108 Ų108136.5 Ų136.576%0.75579%0.791SS**  trans-79.6-177.1162.2-45.20000110.9
334P44.1Very low32.9Very low112 Ų112141 Ų14173%0.72780%0.798SS**  cis-143.5-177.610.245.3-26.1000117.8
335D29.1Very low32.8Very low147 Ų147136 Ų13679%0.78680%0.797SS**  trans53.2145.1148.1-106.5-31.1000123.7
336I36.2Very low32.9Very low165 Ų165135.3 Ų135.385%0.84679%0.793SS**  trans172.8139.1142-93.4157.2000110.3
337L32.1Very low32.8Very low160 Ų160136.8 Ų136.884%0.83880%0.796SS**  trans-91.8143.5166.2-79.2138000110.3
338E28.3Very low33.1Very low193 Ų193143.2 Ų143.290%0.90280%0.804SS**  trans-168176.2131.1-115.1179.3-160.100115.6
339T26.3Very low33.1Very low111 Ų111143.5 Ų143.568%0.68181%0.805SS**  trans-107.6162.1-150.72.40000116.3
340N27.2Very low33.1Very low147 Ų147145.4 Ų145.479%0.78681%0.805SS**  trans92.6147.8141.7-69.8-20.1000124.3
341S29.5Very low33.2Very low92 Ų92149.3 Ų149.364%0.64381%0.808SS**  trans72.1100.6156.2-80.70000122.9
342E28.3Very low33.6Very low172 Ų172147.3 Ų147.380%0.80480%0.797SS**  63112.3118.9-65170.7105.900120.6
343R34.8Very low34.2Very low252 Ų252146.4 Ų146.495%0.95179%0.791SS**  -138.7120.5127.1-110.1172.5-147.1-1615.6112.3G345R343-G345 PolarHBondContact O-N 3.06Å
344R30.6Very low34.7Very low228 Ų228148.8 Ų148.886%0.8679%0.792SS**  trans-62.7114.9176.9171.6-166.4-78.9-116.23111.1
345G29.4Very low35.5Very low76 Ų76146.5 Ų146.578%0.78478%0.776SS**  trans-120.6107.415400000107.9R343R343-G345 PolarHBondContact O-N 3.06Å
346S36.1Very low37.7Very low93 Ų93142.4 Ų142.465%0.6576%0.755SS**  trans-90.2123.5-178.5-64.90000110.8
347D32.8Very low39.9Very low161 Ų161139.4 Ų139.486%0.86174%0.74SS**  trans-120148.9143.7-156.9-9.6000108.8
348R39.6Very low42.3Very low240 Ų240136.8 Ų136.891%0.90672%0.719SS**  trans-114.488.6-176.2-83.9-178.9163.2-175.9-4.9109.6
349S39.1Very low45Very low118 Ų118132.2 Ų132.283%0.82570%0.697SS**  trans-100.4139.7154.7-164.90000109.3D351S349-D351 PolarHBondContact O-N 3.44Å
350L39.7Very low47.8Very low168 Ų168128.5 Ų128.588%0.8867%0.672SS**  trans-76.6122.2179.8-69.9160.4000108.9G352L350-G352 VanDerWaalsContact C-N 3.29Å; L350-G352 PolarHBondContact O-N 2.96Å
351D35.9Very low50.4Low157 Ų157125 Ų12584%0.8465%0.651SS**  trans-69.392168-173.324.5000108.7S349 V353S349-D351 PolarHBondContact O-N 3.44Å; D351-V353 PolarHBondContact O-N 2.79Å
352G39.5Very low53.1Low56 Ų56121.1 Ų121.158%0.57762%0.624SS**  trans-7193.8-179.500000109.7L350 M354L350-G352 VanDerWaalsContact C-N 3.29Å; L350-G352 PolarHBondContact O-N 2.96Å; G352-M354 PolarHBondContact O-N 2.94Å
353V45.3Very low55.8Low118 Ų118116.4 Ų116.472%0.71560%0.604SS**  trans-42.8109172.7177.60000109D351 V355D351-V353 PolarHBondContact O-N 2.79Å; V353-V355 VanDerWaalsContact C-N 3.33Å; V353-V355 PolarHBondContact O-N 2.66Å
354M45.8Very low58.2Low158 Ų158105.2 Ų105.278%0.77856%0.563SS**  trans-67.194.1179.4-78.2-172.4171.700109.4G352 D356G352-M354 PolarHBondContact O-N 2.94Å; M354-D356 PolarHBondContact O-N 2.97Å
355V61Low60.6Low64 Ų6498.6 Ų98.639%0.38854%0.542SS..  trans-72.2117.1170.4-177.50000108.2V353 L357 Q432V353-V355 VanDerWaalsContact C-N 3.33Å; V353-V355 PolarHBondContact O-N 2.66Å; V355-L357 HydrophobicContact CB-CG 4.49Å; V355-L357 HydrophobicContact CG1-CD2 3.87Å; V355-L357 HydrophobicContact CG1-CG 3.88Å; V355-L357 PolarHBondContact O-N 3.25Å; V355-Q432 HydrophobicContact CG1-CB 4.13Å; V355-Q432 HydrophobicContact CG1-CG 3.64Å; V355-Q432 VanDerWaalsContact CG1-NE2 3.29Å
356D74.3Confident63Low62 Ų6295.5 Ų95.533%0.33251%0.51SS..EExtended strand (participates in β ladder)trans-7481.8172.4-176.516.5000109.1M354 R358 R433M354-D356 PolarHBondContact O-N 2.97Å; D356-R358 VanDerWaalsContact CG-NE 3.29Å; D356-R358 WeakPolarHBondContact OD1-CG 3.44Å; D356-R358 IonicContact OD1-CZ 3.47Å; D356-R358 IonicContact OD1-NE 2.74Å; D356-R358 PolarHBondContact OD1-NE 2.93Å; D356-R358 VanDerWaalsContact OD1-NE 3.09Å; D356-R358 IonicContact OD1-NH2 2.83Å; D356-R358 PolarHBondContact OD1-NH2 2.94Å; D356-R358 IonicContact OD2-CZ 3.43Å; D356-R358 VanDerWaalsContact OD2-CZ 3.23Å; D356-R358 IonicContact OD2-NE 2.65Å; D356-R358 PolarHBondContact OD2-NE 3.45Å; D356-R358 IonicContact OD2-NH2 3.67Å; D356-R358 PolarHBondContact OD2-NH2 3.21Å; D356-R433 HydrophobicContact CB-CB 4.17Å; D356-R433 PolarHBondContact O-N 3.25Å
357L82.4Confident65.3Low102 Ų10291.1 Ų91.153%0.53448%0.479SS..EExtended strand (participates in β ladder)trans-78.6121.9172-70.7178.4000109.4V355 V402 I431 Q432V355-L357 HydrophobicContact CB-CG 4.49Å; V355-L357 HydrophobicContact CG1-CD2 3.87Å; V355-L357 HydrophobicContact CG1-CG 3.88Å; V355-L357 PolarHBondContact O-N 3.25Å; L357-V402 HydrophobicContact CD2-CG2 4.29Å; L357-I431 VanDerWaalsContact CA-O 3.29Å; L357-I431 WeakPolarHBondContact CA-O 3.5Å; L357-I431 WeakPolarHBondContact CD2-O 3.28Å; L357-Q432 HydrophobicContact CD2-CB 4Å
358R82.3Confident67.7Low104 Ų10489.1 Ų89.139%0.39246%0.463SS..EExtended strand (participates in β ladder)trans-120.5137.4177.8-58-175.9178.3-120.1-6.1110.2D356 F360 T430 I431D356-R358 VanDerWaalsContact CG-NE 3.29Å; D356-R358 WeakPolarHBondContact OD1-CG 3.44Å; D356-R358 IonicContact OD1-CZ 3.47Å; D356-R358 IonicContact OD1-NE 2.74Å; D356-R358 PolarHBondContact OD1-NE 2.93Å; D356-R358 VanDerWaalsContact OD1-NE 3.09Å; D356-R358 IonicContact OD1-NH2 2.83Å; D356-R358 PolarHBondContact OD1-NH2 2.94Å; D356-R358 IonicContact OD2-CZ 3.43Å; D356-R358 VanDerWaalsContact OD2-CZ 3.23Å; D356-R358 IonicContact OD2-NE 2.65Å; D356-R358 PolarHBondContact OD2-NE 3.45Å; D356-R358 IonicContact OD2-NH2 3.67Å; D356-R358 PolarHBondContact OD2-NH2 3.21Å; R358-F360 HydrophobicContact CB-CE1 3.76Å; R358-F360 HydrophobicContact CB-CZ 3.7Å; R358-T430 WeakPolarHBondContact O-CA 2.99Å; R358-I431 HydrophobicContact CB-CD1 4.23Å; R358-I431 HydrophobicContact CB-CG1 3.85Å; R358-I431 PolarHBondContact N-O 3.33Å; R358-I431 WeakPolarHBondContact O-CG1 3.34Å; R358-I431 PolarHBondContact O-N 3.02Å
359E85.3Confident69.6Low98 Ų9882.7 Ų82.746%0.45845%0.447SS..EExtended strand (participates in β ladder)trans-117.5129.9177.6-54-151.5130.400110.4K428 V429 T430E359-K428 HydrophobicContact CB-CD 4.45Å; E359-K428 HydrophobicContact CB-CG 4.48Å; E359-K428 WeakPolarHBondContact OE1-CE 3.36Å; E359-K428 IonicContact OE1-NZ 3.13Å; E359-K428 PolarHBondContact OE1-NZ 3.06Å; E359-K428 WeakPolarHBondContact OE2-CD 3.44Å; E359-K428 WeakPolarHBondContact OE2-CE 3.31Å; E359-K428 IonicContact OE2-NZ 3.47Å; E359-K428 PolarHBondContact OE2-NZ 2.88Å; E359-V429 WeakPolarHBondContact CA-O 3.42Å; E359-T430 HydrophobicContact CG-CG2 4.06Å; E359-T430 WeakPolarHBondContact OE1-CG2 3.43Å; E359-T430 PolarHBondContact OE1-OG1 2.76Å
360F84.3Confident71.6Confident33 Ų3379.2 Ų79.215%0.14542%0.419CS..EExtended strand (participates in β ladder)trans-124.8150.3177.7-37.8-59.2000110.1R358 V362 L394 F395 K428 V429 I431R358-F360 HydrophobicContact CB-CE1 3.76Å; R358-F360 HydrophobicContact CB-CZ 3.7Å; F360-V362 HydrophobicContact CB-CG2 3.85Å; F360-L394 HydrophobicContact CD1-CD2 4.21Å; F360-L394 HydrophobicContact CG-CD2 4.44Å; F360-L394 WeakPolarHBondContact CZ-O 3.27Å; F360-F395 HydrophobicContact CD2-CE1 4.05Å; F360-F395 HydrophobicContact CD2-CZ 4.28Å; F360-F395 HydrophobicContact CE2-CD1 4.18Å; F360-F395 HydrophobicContact CE2-CE1 4.05Å; F360-K428 CarbonylContact O-C 3.51Å; F360-K428 WeakPolarHBondContact O-CA 3.37Å; F360-V429 PolarHBondContact N-O 2.73Å; F360-V429 PolarHBondContact O-N 3.05Å; F360-I431 HydrophobicContact CE2-CD1 3.59Å; F360-I431 HydrophobicContact CE2-CG1 3.68Å; F360-I431 HydrophobicContact CE2-CG2 4.33Å; F360-I431 HydrophobicContact CZ-CD1 3.67Å; F360-I431 HydrophobicContact CZ-CG1 3.95Å
361M82.8Confident73.8Confident72 Ų7271.4 Ų71.436%0.35538%0.378SS..EExtended strand (participates in β ladder)trans-92127.5157.9-69.1-57-54.700108R288 E426 K428R288-M361 PolarHBondContact NH1-SD 2.92Å; M361-E426 HydrophobicContact CE-CB 3.66Å; M361-K428 HydrophobicContact SD-CB 3.77Å; M361-K428 HydrophobicContact SD-CG 4.16Å
362V84.9Confident76.1Confident12 Ų1267.2 Ų67.27%0.07336%0.358CS..EExtended strand (participates in β ladder)trans-136.4143.4-179.9-165.10000109.2F360 L367 W385 L394 F395 V427 V429F360-V362 HydrophobicContact CB-CG2 3.85Å; V362-L367 HydrophobicContact CB-CD1 4.07Å; V362-L367 HydrophobicContact CB-CD2 3.91Å; V362-L367 HydrophobicContact CB-CG 3.91Å; V362-L367 HydrophobicContact CG1-CD1 4.46Å; V362-L367 HydrophobicContact CG1-CD2 3.71Å; V362-L367 HydrophobicContact CG1-CG 3.76Å; V362-L367 HydrophobicContact CG2-CD2 4.33Å; V362-W385 HydrophobicContact CG1-CH2 3.84Å; V362-W385 HydrophobicContact CG1-CZ2 4.28Å; V362-L394 HydrophobicContact CG2-CD1 4.34Å; V362-F395 HydrophobicContact CG2-CE2 4.38Å; V362-F395 HydrophobicContact CG2-CZ 4.21Å; V362-V427 PolarHBondContact N-O 3.14Å; V362-V427 PolarHBondContact O-N 3.17Å; V362-V429 HydrophobicContact CG2-CG2 4.36Å
363N85.6Confident78.4Confident72 Ų7265.5 Ų65.539%0.38534%0.336SS..EExtended strand (participates in β ladder)trans-66.7137178-174.1-81.2000111.4Q365 G366 L367 D425N363-Q365 VanDerWaalsContact C-N 3.31Å; N363-Q365 PolarHBondContact O-N 3.22Å; N363-Q365 WeakPolarHBondContact OD1-CB 3.41Å; N363-Q365 PolarHBondContact OD1-N 3.06Å; N363-G366 PolarHBondContact O-N 3.13Å; N363-G366 VanDerWaalsContact O-N 3.14Å; N363-L367 PolarHBondContact O-N 2.65Å; N363-D425 CarbonylContact C-O 3.5Å; N363-D425 WeakPolarHBondContact CA-O 3.37Å; N363-D425 PolarHBondContact ND2-O 2.62Å
364L84.9Confident80.2Confident18 Ų1863.1 Ų63.19%0.09432%0.322CS..Hα-helixtrans-60.3-36.1-176.2-166.477.4000113K368 I419 D425 V427L364-K368 VanDerWaalsContact O-CB 3.28Å; L364-K368 WeakPolarHBondContact O-CB 3.42Å; L364-K368 PolarHBondContact O-N 3.43Å; L364-K368 VanDerWaalsContact O-N 3.15Å; L364-I419 HydrophobicContact CD1-CB 4.38Å; L364-I419 HydrophobicContact CD1-CD1 3.78Å; L364-I419 HydrophobicContact CD1-CG2 3.9Å; L364-I419 HydrophobicContact CG-CG2 4.28Å; L364-D425 WeakPolarHBondContact CB-O 3.39Å; L364-D425 PolarHBondContact N-O 3.25Å; L364-V427 HydrophobicContact CD1-CG1 3.67Å; L364-V427 HydrophobicContact CD1-CG2 4.42Å
365Q80.7Confident82.2Confident89 Ų8961.3 Ų61.342%0.41631%0.311SS..Hα-helixtrans-74.1-36.8177.6-56.6-56.2-3500111.3N363 K368 N369N363-Q365 VanDerWaalsContact C-N 3.31Å; N363-Q365 PolarHBondContact O-N 3.22Å; N363-Q365 WeakPolarHBondContact OD1-CB 3.41Å; N363-Q365 PolarHBondContact OD1-N 3.06Å; Q365-K368 PolarHBondContact O-N 3.11Å; Q365-N369 WeakPolarHBondContact O-CB 3.43Å; Q365-N369 PolarHBondContact O-N 3.45Å; Q365-N369 PolarHBondContact O-ND2 3.02Å
366G81.3Confident83.1Confident11 Ų1161.1 Ų61.111%0.11331%0.31CS..Hα-helixtrans-60.4-50.417300000111.5N363 K368 N369 D370N363-G366 PolarHBondContact O-N 3.13Å; N363-G366 VanDerWaalsContact O-N 3.14Å; G366-K368 PolarHBondContact O-N 2.76Å; G366-N369 PolarHBondContact O-N 2.91Å; G366-D370 WeakPolarHBondContact CA-OD2 3.03Å; G366-D370 WeakPolarHBondContact O-CA 3.49Å; G366-D370 VanDerWaalsContact O-CB 3.28Å; G366-D370 WeakPolarHBondContact O-CB 3.11Å; G366-D370 PolarHBondContact O-N 3.36Å
367L83.4Confident83.1Confident0 Ų065.3 Ų65.30%033%0.328CS..Hα-helixtrans-60.9-27175.4-66.9175000114.2V362 N363 L371 W385 F395 I419 V427 V429V362-L367 HydrophobicContact CB-CD1 4.07Å; V362-L367 HydrophobicContact CB-CD2 3.91Å; V362-L367 HydrophobicContact CB-CG 3.91Å; V362-L367 HydrophobicContact CG1-CD1 4.46Å; V362-L367 HydrophobicContact CG1-CD2 3.71Å; V362-L367 HydrophobicContact CG1-CG 3.76Å; V362-L367 HydrophobicContact CG2-CD2 4.33Å; N363-L367 PolarHBondContact O-N 2.65Å; L367-L371 HydrophobicContact CD2-CD2 4.01Å; L367-L371 WeakPolarHBondContact O-CB 3.33Å; L367-W385 HydrophobicContact CD2-CZ3 4.44Å; L367-F395 HydrophobicContact CD2-CE2 4.03Å; L367-F395 HydrophobicContact CD2-CZ 3.83Å; L367-I419 HydrophobicContact CB-CD1 4.17Å; L367-I419 HydrophobicContact CD1-CD1 3.78Å; L367-V427 HydrophobicContact CD1-CG2 3.24Å; L367-V429 HydrophobicContact CD1-CG2 3.54Å; L367-V429 HydrophobicContact CD2-CG2 4.05Å; L367-V429 HydrophobicContact CG-CG2 4.45Å
368K83Confident82.7Confident120 Ų12062.4 Ų62.452%0.52232%0.322SS..Hα-helixtrans-84-33.7-178.9-179.6-170.6163.6-154.40112.9L364 Q365 G366 I419L364-K368 VanDerWaalsContact O-CB 3.28Å; L364-K368 WeakPolarHBondContact O-CB 3.42Å; L364-K368 PolarHBondContact O-N 3.43Å; L364-K368 VanDerWaalsContact O-N 3.15Å; Q365-K368 PolarHBondContact O-N 3.11Å; G366-K368 PolarHBondContact O-N 2.76Å; K368-I419 HydrophobicContact CB-CG2 4.43Å
369N80.8Confident82.6Confident104 Ų10461.4 Ų61.456%0.55632%0.321SS*.Hα-helixtrans-104.4-35.2-171.8-56.6-24.6000112.4Q365 G366Q365-N369 WeakPolarHBondContact O-CB 3.43Å; Q365-N369 PolarHBondContact O-N 3.45Å; Q365-N369 PolarHBondContact O-ND2 3.02Å; G366-N369 PolarHBondContact O-N 2.91Å
370D81Confident82.7Confident45 Ų4556.8 Ų56.824%0.24130%0.299CS..THydrogen-bonded Turntrans-108.5-14-167.7-50.5-39.5000113.5G366 W385 T386G366-D370 WeakPolarHBondContact CA-OD2 3.03Å; G366-D370 WeakPolarHBondContact O-CA 3.49Å; G366-D370 VanDerWaalsContact O-CB 3.28Å; G366-D370 WeakPolarHBondContact O-CB 3.11Å; G366-D370 PolarHBondContact O-N 3.36Å; D370-W385 HydrophobicContact CB-CE3 4.04Å; D370-W385 HydrophobicContact CB-CH2 4.36Å; D370-W385 HydrophobicContact CB-CZ3 3.8Å; D370-W385 CarbonylContact O-C 3.56Å; D370-W385 VanDerWaalsContact O-CA 3.29Å; D370-W385 WeakPolarHBondContact O-CA 3.32Å; D370-T386 WeakPolarHBondContact CA-OG1 3.4Å; D370-T386 PolarHBondContact O-N 3.09Å; D370-T386 PolarHBondContact O-OG1 3.37Å
371L85.3Confident82.8Confident4 Ų455.3 Ų55.32%0.02129%0.293CS..EExtended strand (participates in β ladder)trans-96.8123.6175.6-167.871.8000110.8L367 L373 V382 W385 F395 F415L367-L371 HydrophobicContact CD2-CD2 4.01Å; L367-L371 WeakPolarHBondContact O-CB 3.33Å; L371-L373 HydrophobicContact CD2-CD2 3.92Å; L371-L373 HydrophobicContact CD2-CG 4.22Å; L371-L373 HydrophobicContact CG-CD2 4.21Å; L371-L373 HydrophobicContact CG-CG 4.45Å; L371-V382 HydrophobicContact CD1-CG1 3.73Å; L371-V382 HydrophobicContact CD1-CG2 4.05Å; L371-W385 HydrophobicContact CB-CE3 3.73Å; L371-W385 HydrophobicContact CB-CZ3 3.87Å; L371-W385 HydrophobicContact CD1-CB 4.3Å; L371-W385 HydrophobicContact CD1-CD2 4.36Å; L371-W385 HydrophobicContact CD1-CE3 3.69Å; L371-W385 HydrophobicContact CD1-CZ3 4.41Å; L371-W385 HydrophobicContact CG-CE3 4.33Å; L371-F395 HydrophobicContact CD1-CD1 4.38Å; L371-F395 HydrophobicContact CD1-CD2 3.76Å; L371-F395 HydrophobicContact CD1-CE2 3.98Å; L371-F395 HydrophobicContact CD1-CG 3.97Å; L371-F395 HydrophobicContact CD1-CZ 4.38Å; L371-F395 HydrophobicContact CD2-CZ 4.48Å; L371-F415 HydrophobicContact CD2-CE1 4.42Å; L371-F415 HydrophobicContact CD2-CE2 4.3Å; L371-F415 HydrophobicContact CD2-CZ 3.72Å
372T83.9Confident83Confident70 Ų7052 Ų5243%0.42928%0.277SS..EExtended strand (participates in β ladder)trans-104.1127.7168.5640000110.1S383 G384T372-S383 VanDerWaalsContact C-OG 3.3Å; T372-S383 WeakPolarHBondContact CB-OG 3.12Å; T372-S383 PolarHBondContact O-N 3.28Å; T372-S383 PolarHBondContact O-OG 3.43Å; T372-S383 PolarHBondContact OG1-OG 3.36Å; T372-G384 PolarHBondContact N-O 2.82Å; T372-G384 PolarHBondContact O-N 3.41Å; T372-G384 VanDerWaalsContact OG1-CA 3.27Å; T372-G384 WeakPolarHBondContact OG1-CA 3.18Å; T372-G384 PolarHBondContact OG1-N 3.4Å; T372-G384 PolarHBondContact OG1-O 2.85Å
373L87.7Confident82.9Confident20 Ų2053.3 Ų53.311%0.10529%0.287CS..EExtended strand (participates in β ladder)trans-109.2143.1175.4-64.2179.9000110.6L371 P380 S381 V382 V401 V412 F415L371-L373 HydrophobicContact CD2-CD2 3.92Å; L371-L373 HydrophobicContact CD2-CG 4.22Å; L371-L373 HydrophobicContact CG-CD2 4.21Å; L371-L373 HydrophobicContact CG-CG 4.45Å; L373-P380 HydrophobicContact CD1-CB 4.09Å; L373-S381 WeakPolarHBondContact CA-O 3.28Å; L373-V382 HydrophobicContact CD2-CB 4.48Å; L373-V382 HydrophobicContact CD2-CG2 3.88Å; L373-V401 HydrophobicContact CD2-CG2 3.91Å; L373-V412 HydrophobicContact CB-CG1 4.23Å; L373-V412 HydrophobicContact CB-CG2 4.43Å; L373-F415 HydrophobicContact CD1-CB 4.02Å; L373-F415 HydrophobicContact CD1-CD1 3.33Å; L373-F415 HydrophobicContact CD1-CD2 3.7Å; L373-F415 HydrophobicContact CD1-CE1 3.63Å; L373-F415 HydrophobicContact CD1-CE2 3.99Å; L373-F415 HydrophobicContact CD1-CG 3.39Å; L373-F415 HydrophobicContact CD1-CZ 3.96Å
374T84.3Confident82.5Confident68 Ų6850.6 Ų50.642%0.41728%0.276SS..EExtended strand (participates in β ladder)trans-124.3141.1168.543.90000108.9V376 S381T374-V376 PolarHBondContact O-N 3.31Å; T374-S381 PolarHBondContact N-O 2.82Å; T374-S381 PolarHBondContact O-N 2.96Å; T374-S381 VanDerWaalsContact O-O 3.07Å; T374-S381 PolarHBondContact OG1-O 2.8Å
375E87.3Confident82.4Confident119 Ų11950.9 Ų50.956%0.55628%0.275SS*.EExtended strand (participates in β ladder)trans-76.6122.7174-169176.7-158.600110.1G378 K379 V412E375-G378 WeakPolarHBondContact OE1-CA 3.3Å; E375-K379 WeakPolarHBondContact CA-O 3.42Å; E375-V412 HydrophobicContact CB-CG2 4.08Å
376V79.1Confident82Confident60 Ų6051.6 Ų51.636%0.36429%0.286SS..EExtended strand (participates in β ladder)trans-130.6127.8176.3-177.30000107.6T374 G378 K379T374-V376 PolarHBondContact O-N 3.31Å; V376-G378 PolarHBondContact O-N 2.96Å; V376-G378 VanDerWaalsContact O-N 3.15Å; V376-K379 PolarHBondContact N-O 2.85Å; V376-K379 PolarHBondContact O-N 2.87Å
377E74.9Confident81.2Confident151 Ų15151.6 Ų51.671%0.70629%0.287SS*.THydrogen-bonded Turntrans53.827.8-173.1-65.2167.1-145.500114.2R400E377-R400 IonicContact OE1-CZ 3.35Å; E377-R400 IonicContact OE1-NH1 2.7Å; E377-R400 IonicContact OE1-NH2 3.82Å; E377-R400 PolarHBondContact OE1-NH2 3.43Å; E377-R400 IonicContact OE2-CZ 3.65Å; E377-R400 IonicContact OE2-NH1 3.7Å; E377-R400 PolarHBondContact OE2-NH1 2.95Å; E377-R400 IonicContact OE2-NH2 2.74Å; E377-R400 PolarHBondContact OE2-NH2 3.49Å; E377-R400 VanDerWaalsContact OE2-NH2 3.13Å
378G74.1Confident80Confident41 Ų4158.2 Ų58.242%0.42332%0.317SS..THydrogen-bonded Turntrans71.630.3-174.900000113.5E375 V376E375-G378 WeakPolarHBondContact OE1-CA 3.3Å; V376-G378 PolarHBondContact O-N 2.96Å; V376-G378 VanDerWaalsContact O-N 3.15Å
379K79.8Confident78.7Confident83 Ų8357.5 Ų57.536%0.36133%0.325SS..EExtended strand (participates in β ladder)trans-136.2144.1175.5-66.1-161173.9-140.30113.3E375 V376 S381 D410E375-K379 WeakPolarHBondContact CA-O 3.42Å; V376-K379 PolarHBondContact N-O 2.85Å; V376-K379 PolarHBondContact O-N 2.87Å; K379-S381 PolarHBondContact O-N 2.72Å; K379-S381 PolarHBondContact O-OG 2.9Å; K379-D410 WeakPolarHBondContact CA-O 3.41Å; K379-D410 IonicContact NZ-OD1 3.18Å
380P87Confident77.4Confident0 Ų058.9 Ų58.90%033%0.328CS..EExtended strand (participates in β ladder)trans-64.1117.8176.425.4-33.4000111L373 V401 D410 V412L373-P380 HydrophobicContact CD1-CB 4.09Å; P380-V401 HydrophobicContact CB-CB 4.38Å; P380-V401 HydrophobicContact CG-CB 4.2Å; P380-V401 PolarHBondContact O-N 2.96Å; P380-D410 WeakPolarHBondContact CD-O 3.4Å; P380-V412 HydrophobicContact CB-CG2 3.91Å
381S86.8Confident76.5Confident3 Ų357.7 Ų57.72%0.02132%0.323CS..EExtended strand (participates in β ladder)trans-128140.7-178.4-54.30000110.7L373 T374 K379 S383 D399L373-S381 WeakPolarHBondContact CA-O 3.28Å; T374-S381 PolarHBondContact N-O 2.82Å; T374-S381 PolarHBondContact O-N 2.96Å; T374-S381 VanDerWaalsContact O-O 3.07Å; T374-S381 PolarHBondContact OG1-O 2.8Å; K379-S381 PolarHBondContact O-N 2.72Å; K379-S381 PolarHBondContact O-OG 2.9Å; S381-S383 PolarHBondContact O-N 3.05Å; S381-D399 CarbonylContact C-O 3.59Å; S381-D399 WeakPolarHBondContact CA-O 3.5Å
382V87.3Confident75.2Confident1 Ų159.2 Ų59.21%0.00633%0.332CS..EExtended strand (participates in β ladder)trans-74.2121-174.7-177.10000111L371 L373 F395 E398 D399 V401 L440L371-V382 HydrophobicContact CD1-CG1 3.73Å; L371-V382 HydrophobicContact CD1-CG2 4.05Å; L373-V382 HydrophobicContact CD2-CB 4.48Å; L373-V382 HydrophobicContact CD2-CG2 3.88Å; V382-F395 HydrophobicContact CG1-CB 4.05Å; V382-F395 HydrophobicContact CG2-CB 4.41Å; V382-F395 HydrophobicContact CG2-CD1 3.96Å; V382-F395 HydrophobicContact CG2-CG 4.39Å; V382-E398 PolarHBondContact O-N 3.43Å; V382-D399 HydrophobicContact CB-CB 4.4Å; V382-D399 HydrophobicContact CG2-CB 4.21Å; V382-D399 PolarHBondContact N-O 3.19Å; V382-V401 HydrophobicContact CG2-CG2 4.26Å; V382-L440 HydrophobicContact CG1-CD1 4.27Å
383S82.1Confident74.3Confident41 Ų4157.1 Ų57.129%0.28732%0.32SS..EExtended strand (participates in β ladder)trans-95.5-25.6172.955.30000113T372 S381T372-S383 VanDerWaalsContact C-OG 3.3Å; T372-S383 WeakPolarHBondContact CB-OG 3.12Å; T372-S383 PolarHBondContact O-N 3.28Å; T372-S383 PolarHBondContact O-OG 3.43Å; T372-S383 PolarHBondContact OG1-OG 3.36Å; S381-S383 PolarHBondContact O-N 3.05Å
384G78.4Confident73.5Confident15 Ų1558.7 Ų58.716%0.15533%0.329CS..EExtended strand (participates in β ladder)trans-169.5153.5-175.600000112.6T372T372-G384 PolarHBondContact N-O 2.82Å; T372-G384 PolarHBondContact O-N 3.41Å; T372-G384 VanDerWaalsContact OG1-CA 3.27Å; T372-G384 WeakPolarHBondContact OG1-CA 3.18Å; T372-G384 PolarHBondContact OG1-N 3.4Å; T372-G384 PolarHBondContact OG1-O 2.85Å
385W81.5Confident73.3Confident23 Ų2355.4 Ų55.49%0.08731%0.309CS..EExtended strand (participates in β ladder)trans-145.2119.7177.3173.6-117.2000109V362 L367 D370 L371 S391 F395 L440V362-W385 HydrophobicContact CG1-CH2 3.84Å; V362-W385 HydrophobicContact CG1-CZ2 4.28Å; L367-W385 HydrophobicContact CD2-CZ3 4.44Å; D370-W385 HydrophobicContact CB-CE3 4.04Å; D370-W385 HydrophobicContact CB-CH2 4.36Å; D370-W385 HydrophobicContact CB-CZ3 3.8Å; D370-W385 CarbonylContact O-C 3.56Å; D370-W385 VanDerWaalsContact O-CA 3.29Å; D370-W385 WeakPolarHBondContact O-CA 3.32Å; L371-W385 HydrophobicContact CB-CE3 3.73Å; L371-W385 HydrophobicContact CB-CZ3 3.87Å; L371-W385 HydrophobicContact CD1-CB 4.3Å; L371-W385 HydrophobicContact CD1-CD2 4.36Å; L371-W385 HydrophobicContact CD1-CE3 3.69Å; L371-W385 HydrophobicContact CD1-CZ3 4.41Å; L371-W385 HydrophobicContact CG-CE3 4.33Å; W385-S391 PolarHBondContact NE1-O 3.35Å; W385-S391 PolarHBondContact NE1-OG 3.08Å; W385-F395 HydrophobicContact CB-CB 4.21Å; W385-F395 HydrophobicContact CB-CD2 4.33Å; W385-F395 AromaticContact CD2-CD2 3.64Å; W385-F395 HydrophobicContact CD2-CD2 3.64Å; W385-F395 HydrophobicContact CD2-CE2 4.11Å; W385-F395 AromaticContact CE2-CD2 3.92Å; W385-F395 AromaticContact CE3-CD2 3.98Å; W385-F395 HydrophobicContact CE3-CD2 3.98Å; W385-F395 HydrophobicContact CE3-CE2 4.1Å; W385-F395 HydrophobicContact CG-CB 4.4Å; W385-F395 AromaticContact CG-CD2 3.82Å; W385-F395 HydrophobicContact CG-CD2 3.82Å; W385-F395 HydrophobicContact CH2-CE2 4.33Å; W385-F395 HydrophobicContact CZ2-CD2 4.48Å; W385-F395 HydrophobicContact CZ2-CE2 4.31Å; W385-F395 HydrophobicContact CZ3-CE2 4.22Å; W385-L440 HydrophobicContact CB-CD1 4.19Å
386T73.1Confident72.8Confident104 Ų10451.2 Ų51.264%0.63829%0.289SS*.  trans-11428.4-179.559.10000112.4D370D370-T386 WeakPolarHBondContact CA-OG1 3.4Å; D370-T386 PolarHBondContact O-N 3.09Å; D370-T386 PolarHBondContact O-OG1 3.37Å
387G63.7Low72.6Confident12 Ų1252.8 Ų52.812%0.12429%0.291CS..  trans-65.3170.8-176.800000114
388Q60Low72.8Confident139 Ų13950.6 Ų50.665%0.6528%0.281SS*.  trans-52.8152.8179.6-66.4-170.12.200112.9Q390 S391 V392Q388-Q390 PolarHBondContact O-N 2.88Å; Q388-S391 PolarHBondContact N-OG 3.31Å; Q388-S391 WeakPolarHBondContact O-CA 3.26Å; Q388-S391 WeakPolarHBondContact O-CB 3.22Å; Q388-S391 PolarHBondContact O-N 3.2Å; Q388-S391 PolarHBondContact O-OG 3.42Å; Q388-V392 PolarHBondContact O-N 2.98Å
389P53.9Low73.3Confident104 Ų10448.6 Ų48.668%0.67526%0.26SS*.THydrogen-bonded Turntrans-59-19-171.319.4-33.2000116.4S391P389-S391 VanDerWaalsContact C-N 3.31Å
390Q53.4Low73.6Confident134 Ų13446.6 Ų46.663%0.62625%0.251SS*.THydrogen-bonded Turntrans-79.3-11.9172.3-68.2161.3-25.900113.7E279 Q388E279-Q390 PolarHBondContact OE1-NE2 3.2Å; Q388-Q390 PolarHBondContact O-N 2.88Å
391S62.6Low73.7Confident20 Ų2046.7 Ų46.714%0.1425%0.251CS..THydrogen-bonded Turntrans-114.6-2.7-174.773.90000113.6W385 Q388 P389 L394W385-S391 PolarHBondContact NE1-O 3.35Å; W385-S391 PolarHBondContact NE1-OG 3.08Å; Q388-S391 PolarHBondContact N-OG 3.31Å; Q388-S391 WeakPolarHBondContact O-CA 3.26Å; Q388-S391 WeakPolarHBondContact O-CB 3.22Å; Q388-S391 PolarHBondContact O-N 3.2Å; Q388-S391 PolarHBondContact O-OG 3.42Å; P389-S391 VanDerWaalsContact C-N 3.31Å; S391-L394 WeakPolarHBondContact O-CB 3.47Å; S391-L394 WeakPolarHBondContact O-CG 3.39Å; S391-L394 PolarHBondContact O-N 3.04Å; S391-L394 VanDerWaalsContact O-N 3.14Å
392V57.6Low73.8Confident35 Ų3548.9 Ų48.921%0.21226%0.264CS..THydrogen-bonded Turntrans-57.4144.2164.9-179.10000107.6Q388 L394Q388-V392 PolarHBondContact O-N 2.98Å; V392-L394 VanDerWaalsContact C-N 3.32Å; V392-L394 PolarHBondContact O-N 3.34Å
393C64.8Low73.9Confident26 Ų2649.1 Ų49.118%0.17627%0.266CS..THydrogen-bonded Turntrans70.8-3.5-168.5-56.10000117.6H396 H441 C447C393-H396 PolarHBondContact O-CE1 3.21Å; C393-H396 PolarHBondContact O-ND1 3.46Å; C393-H441 PolarHBondContact SG-CE1 2.85Å; C393-C447 HydrophobicContact CB-CB 3.92Å; C393-C447 WeakPolarHBondContact CB-SG 3.16Å; C393-C447 WeakPolarHBondContact SG-CB 3.49Å; C393-C447 CovalentContact SG-SG 2.05Å; C393-C447 PolarHBondContact SG-SG 3.46Å
394L71.6Confident74.2Confident53 Ų5347.2 Ų47.228%0.27725%0.253SS..SBendtrans-60.2-62.2171.2-77.8-175.2000111.3F360 V362 S391 V392 R433F360-L394 HydrophobicContact CD1-CD2 4.21Å; F360-L394 HydrophobicContact CG-CD2 4.44Å; F360-L394 WeakPolarHBondContact CZ-O 3.27Å; V362-L394 HydrophobicContact CG2-CD1 4.34Å; S391-L394 WeakPolarHBondContact O-CB 3.47Å; S391-L394 WeakPolarHBondContact O-CG 3.39Å; S391-L394 PolarHBondContact O-N 3.04Å; S391-L394 VanDerWaalsContact O-N 3.14Å; V392-L394 VanDerWaalsContact C-N 3.32Å; V392-L394 PolarHBondContact O-N 3.34Å; L394-R433 PolarHBondContact O-NH2 3.32Å
395F80.2Confident74.6Confident0 Ų048.6 Ų48.60%026%0.257CS..SBendtrans-91.1144.4174.3-57.7-77.9000110.6F360 V362 L367 L371 V382 W385 V429 I431F360-F395 HydrophobicContact CD2-CE1 4.05Å; F360-F395 HydrophobicContact CD2-CZ 4.28Å; F360-F395 HydrophobicContact CE2-CD1 4.18Å; F360-F395 HydrophobicContact CE2-CE1 4.05Å; V362-F395 HydrophobicContact CG2-CE2 4.38Å; V362-F395 HydrophobicContact CG2-CZ 4.21Å; L367-F395 HydrophobicContact CD2-CE2 4.03Å; L367-F395 HydrophobicContact CD2-CZ 3.83Å; L371-F395 HydrophobicContact CD1-CD1 4.38Å; L371-F395 HydrophobicContact CD1-CD2 3.76Å; L371-F395 HydrophobicContact CD1-CE2 3.98Å; L371-F395 HydrophobicContact CD1-CG 3.97Å; L371-F395 HydrophobicContact CD1-CZ 4.38Å; L371-F395 HydrophobicContact CD2-CZ 4.48Å; V382-F395 HydrophobicContact CG1-CB 4.05Å; V382-F395 HydrophobicContact CG2-CB 4.41Å; V382-F395 HydrophobicContact CG2-CD1 3.96Å; V382-F395 HydrophobicContact CG2-CG 4.39Å; W385-F395 HydrophobicContact CB-CB 4.21Å; W385-F395 HydrophobicContact CB-CD2 4.33Å; W385-F395 AromaticContact CD2-CD2 3.64Å; W385-F395 HydrophobicContact CD2-CD2 3.64Å; W385-F395 HydrophobicContact CD2-CE2 4.11Å; W385-F395 AromaticContact CE2-CD2 3.92Å; W385-F395 AromaticContact CE3-CD2 3.98Å; W385-F395 HydrophobicContact CE3-CD2 3.98Å; W385-F395 HydrophobicContact CE3-CE2 4.1Å; W385-F395 HydrophobicContact CG-CB 4.4Å; W385-F395 AromaticContact CG-CD2 3.82Å; W385-F395 HydrophobicContact CG-CD2 3.82Å; W385-F395 HydrophobicContact CH2-CE2 4.33Å; W385-F395 HydrophobicContact CZ2-CD2 4.48Å; W385-F395 HydrophobicContact CZ2-CE2 4.31Å; W385-F395 HydrophobicContact CZ3-CE2 4.22Å; F395-V429 HydrophobicContact CE1-CG1 4.18Å; F395-V429 HydrophobicContact CZ-CG1 4.38Å; F395-I431 HydrophobicContact CD1-CG2 4.18Å; F395-I431 HydrophobicContact CE1-CG2 3.89Å
396H76.3Confident74.8Confident31 Ų3153 Ų5314%0.14428%0.282CS..BIsolated β-bridgetrans-112.5160.7171-66.817.6000108.6C393 E398 D399 R433 C437 Q438C393-H396 PolarHBondContact O-CE1 3.21Å; C393-H396 PolarHBondContact O-ND1 3.46Å; H396-E398 PolarHBondContact O-N 2.83Å; H396-D399 PolarHBondContact N-OD2 2.93Å; H396-D399 PolarHBondContact O-N 2.89Å; H396-R433 PolarHBondContact CE1-NH1 2.87Å; H396-R433 VanDerWaalsContact CG-CZ 3.45Å; H396-R433 PolarHBondContact ND1-NH2 2.78Å; H396-R433 PolarHBondContact NE2-NH1 2.96Å; H396-C437 HydrophobicContact CB-CB 3.9Å; H396-Q438 WeakPolarHBondContact CB-O 3.37Å
397K75.7Confident75.5Confident93 Ų9352.8 Ų52.840%0.40428%0.277SS..THydrogen-bonded Turntrans-63.8137175-161.6-175.5171.5-109.40109D399 C437 Q438 L440K397-D399 VanDerWaalsContact C-N 3.27Å; K397-D399 PolarHBondContact O-N 2.81Å; K397-C437 VanDerWaalsContact O-CB 3.29Å; K397-C437 WeakPolarHBondContact O-CB 3.25Å; K397-C437 PolarHBondContact O-SG 3.45Å; K397-Q438 PolarHBondContact N-O 3.18Å; K397-L440 HydrophobicContact CB-CD2 4.01Å; K397-L440 HydrophobicContact CB-CG 4.28Å
398E79.1Confident76.5Confident104 Ų10459.3 Ų59.349%0.48630%0.304SS..THydrogen-bonded Turntrans70.110.6-180-61149.8-148.600115.6V382 H396 R400V382-E398 PolarHBondContact O-N 3.43Å; H396-E398 PolarHBondContact O-N 2.83Å; E398-R400 PolarHBondContact O-N 2.7Å
399D84.3Confident77.8Confident0 Ų052.8 Ų52.80%027%0.273CS..PPolyproline II helixtrans-58.9127.8162.5-80.3-23.1000109.9S381 V382 H396 K397 I431 R433S381-D399 CarbonylContact C-O 3.59Å; S381-D399 WeakPolarHBondContact CA-O 3.5Å; V382-D399 HydrophobicContact CB-CB 4.4Å; V382-D399 HydrophobicContact CG2-CB 4.21Å; V382-D399 PolarHBondContact N-O 3.19Å; H396-D399 PolarHBondContact N-OD2 2.93Å; H396-D399 PolarHBondContact O-N 2.89Å; K397-D399 VanDerWaalsContact C-N 3.27Å; K397-D399 PolarHBondContact O-N 2.81Å; D399-I431 HydrophobicContact CB-CD1 3.9Å; D399-I431 WeakPolarHBondContact OD2-CD1 3.39Å; D399-R433 WeakPolarHBondContact OD1-CA 3.15Å; D399-R433 WeakPolarHBondContact OD1-CB 3.49Å; D399-R433 VanDerWaalsContact OD1-CG 3.32Å; D399-R433 WeakPolarHBondContact OD1-CG 3.49Å; D399-R433 IonicContact OD1-CZ 3.64Å; D399-R433 IonicContact OD1-NE 2.7Å; D399-R433 PolarHBondContact OD1-NE 2.83Å; D399-R433 IonicContact OD1-NH2 2.75Å; D399-R433 IonicContact OD2-CZ 2.62Å; D399-R433 IonicContact OD2-NE 3.63Å; D399-R433 PolarHBondContact OD2-NE 2.7Å; D399-R433 IonicContact OD2-NH2 2.68Å; D399-R433 PolarHBondContact OD2-NH2 3.07Å
400R86.7Confident79.2Confident41 Ų4152 Ų5216%0.15526%0.264CS..EExtended strand (participates in β ladder)trans-90.2129177.6-56.8-170.3-176.1-163.7-1109.9E377 E398 I431 Q432E377-R400 IonicContact OE1-CZ 3.35Å; E377-R400 IonicContact OE1-NH1 2.7Å; E377-R400 IonicContact OE1-NH2 3.82Å; E377-R400 PolarHBondContact OE1-NH2 3.43Å; E377-R400 IonicContact OE2-CZ 3.65Å; E377-R400 IonicContact OE2-NH1 3.7Å; E377-R400 PolarHBondContact OE2-NH1 2.95Å; E377-R400 IonicContact OE2-NH2 2.74Å; E377-R400 PolarHBondContact OE2-NH2 3.49Å; E377-R400 VanDerWaalsContact OE2-NH2 3.13Å; E398-R400 PolarHBondContact O-N 2.7Å; R400-I431 CarbonylContact O-C 3.59Å; R400-I431 VanDerWaalsContact O-CA 3.23Å; R400-I431 WeakPolarHBondContact O-CA 3.26Å; R400-I431 WeakPolarHBondContact O-CB 3.46Å; R400-Q432 HydrophobicContact CB-CB 4.31Å; R400-Q432 PolarHBondContact N-O 3.4Å; R400-Q432 PolarHBondContact O-N 3.21Å
401V89.1Confident80.8Confident2 Ų246.8 Ų46.81%0.01224%0.242CC..EExtended strand (participates in β ladder)trans-80.5126.5173.9-170.60000109L373 P380 V382 T409 F415 V429 I431L373-V401 HydrophobicContact CD2-CG2 3.91Å; P380-V401 HydrophobicContact CB-CB 4.38Å; P380-V401 HydrophobicContact CG-CB 4.2Å; P380-V401 PolarHBondContact O-N 2.96Å; V382-V401 HydrophobicContact CG2-CG2 4.26Å; V401-T409 PolarHBondContact O-OG1 2.94Å; V401-F415 HydrophobicContact CB-CD2 4.45Å; V401-F415 HydrophobicContact CG1-CD2 3.9Å; V401-F415 HydrophobicContact CG1-CE2 4.04Å; V401-F415 HydrophobicContact CG2-CE2 4.43Å; V401-V429 HydrophobicContact CG1-CG1 3.92Å; V401-I431 HydrophobicContact CG2-CG2 4.41Å
402V88.8Confident82Confident48 Ų4846.6 Ų46.629%0.29124%0.24SC..EExtended strand (participates in β ladder)trans-105.7-37.9-174.8-177.20000111.4L357 Q408 T409 T430 Q432L357-V402 HydrophobicContact CD2-CG2 4.29Å; V402-Q408 WeakPolarHBondContact O-CA 3.43Å; V402-T409 PolarHBondContact O-N 2.8Å; V402-T409 PolarHBondContact O-OG1 2.93Å; V402-T430 HydrophobicContact CB-CG2 4.47Å; V402-T430 PolarHBondContact N-O 2.86Å; V402-Q432 HydrophobicContact CG2-CB 3.59Å
403A88.8Confident83.4Confident7 Ų751.1 Ų51.16%0.05826%0.259CS..EExtended strand (participates in β ladder)trans-155.315717900000113.5L407 T430A403-L407 CarbonylContact C-O 3.54Å; A403-L407 WeakPolarHBondContact CA-O 3.44Å; A403-L407 VanDerWaalsContact CB-O 3.29Å; A403-L407 WeakPolarHBondContact CB-O 3.23Å; A403-T430 PolarHBondContact N-O 2.95Å; A403-T430 PolarHBondContact O-N 2.89Å
404I88.8Confident84.6Confident1 Ų152.6 Ų52.61%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-123.6125.8166-49.9176.2000108.8D406 L407 T409 F415 L418 I419 V427 K428I404-D406 PolarHBondContact O-N 2.96Å; I404-L407 PolarHBondContact N-O 3.23Å; I404-L407 WeakPolarHBondContact O-CB 3.18Å; I404-L407 PolarHBondContact O-N 2.97Å; I404-T409 HydrophobicContact CD1-CG2 4.17Å; I404-T409 HydrophobicContact CG1-CG2 3.96Å; I404-F415 HydrophobicContact CD1-CB 4.39Å; I404-F415 HydrophobicContact CD1-CD1 4.5Å; I404-F415 HydrophobicContact CD1-CD2 3.32Å; I404-F415 HydrophobicContact CD1-CE2 3.54Å; I404-F415 HydrophobicContact CD1-CG 3.83Å; I404-F415 HydrophobicContact CD1-CZ 4.22Å; I404-F415 HydrophobicContact CG1-CD2 3.96Å; I404-F415 HydrophobicContact CG1-CE2 4.08Å; I404-L418 HydrophobicContact CB-CB 4.4Å; I404-L418 HydrophobicContact CB-CD1 4.17Å; I404-L418 HydrophobicContact CD1-CB 3.98Å; I404-L418 HydrophobicContact CD1-CD1 4.5Å; I404-I419 HydrophobicContact CD1-CD1 3.88Å; I404-I419 HydrophobicContact CD1-CG1 3.8Å; I404-I419 HydrophobicContact CG2-CD1 4.43Å; I404-V427 HydrophobicContact CG2-CB 3.86Å; I404-V427 HydrophobicContact CG2-CG1 4.43Å; I404-V427 HydrophobicContact CG2-CG2 3.85Å; I404-K428 CarbonylContact C-O 3.53Å; I404-K428 VanDerWaalsContact CA-O 3.3Å; I404-K428 WeakPolarHBondContact CA-O 3.45Å
405N86.9Confident85.4Confident44 Ų4450.1 Ų50.124%0.23525%0.252CS..THydrogen-bonded Turntrans49.145-176-63.3-43.7000112.5L407 V427 K428N405-L407 PolarHBondContact O-N 3.41Å; N405-L407 VanDerWaalsContact O-N 3.08Å; N405-V427 VanDerWaalsContact ND2-CG1 3.34Å; N405-V427 WeakPolarHBondContact ND2-CG1 3.42Å; N405-V427 WeakPolarHBondContact OD1-CA 3.45Å; N405-K428 PolarHBondContact N-O 2.93Å; N405-K428 PolarHBondContact OD1-N 3Å
406D85.6Confident85.7Confident114 Ų11453.5 Ų53.561%0.6127%0.265SS*.THydrogen-bonded Turntrans66.40.5-178.7-54.6-87.4000115.3I404 K428I404-D406 PolarHBondContact O-N 2.96Å; D406-K428 WeakPolarHBondContact OD1-CE 3.3Å; D406-K428 IonicContact OD1-NZ 2.7Å; D406-K428 PolarHBondContact OD1-NZ 2.93Å; D406-K428 VanDerWaalsContact OD2-CE 3.29Å; D406-K428 WeakPolarHBondContact OD2-CE 3.31Å; D406-K428 IonicContact OD2-NZ 2.79Å; D406-K428 PolarHBondContact OD2-NZ 3.37Å
407L87Confident86.3Confident101 Ų10155.2 Ų55.253%0.52927%0.274SS..EExtended strand (participates in β ladder)trans-88.8121.7170.7-59.6172.6000109.5A403 I404 N405 L418A403-L407 CarbonylContact C-O 3.54Å; A403-L407 WeakPolarHBondContact CA-O 3.44Å; A403-L407 VanDerWaalsContact CB-O 3.29Å; A403-L407 WeakPolarHBondContact CB-O 3.23Å; I404-L407 PolarHBondContact N-O 3.23Å; I404-L407 WeakPolarHBondContact O-CB 3.18Å; I404-L407 PolarHBondContact O-N 2.97Å; N405-L407 PolarHBondContact O-N 3.41Å; N405-L407 VanDerWaalsContact O-N 3.08Å; L407-L418 HydrophobicContact CB-CD1 3.83Å; L407-L418 HydrophobicContact CB-CD2 4.25Å; L407-L418 HydrophobicContact CD1-CD2 3.74Å
408Q86.3Confident86.9Confident148 Ų14852.2 Ų52.269%0.69226%0.262SS*.EExtended strand (participates in β ladder)trans-65.5146.5-176.6-67.8175.9-5.700112.1V402V402-Q408 WeakPolarHBondContact O-CA 3.43Å
409T86.6Confident87.3Confident2 Ų247.6 Ų47.61%0.01224%0.241CC..  trans-121.1103178.549.10000110.4V401 V402 I404 F415 L418V401-T409 PolarHBondContact O-OG1 2.94Å; V402-T409 PolarHBondContact O-N 2.8Å; V402-T409 PolarHBondContact O-OG1 2.93Å; I404-T409 HydrophobicContact CD1-CG2 4.17Å; I404-T409 HydrophobicContact CG1-CG2 3.96Å; T409-F415 HydrophobicContact CG2-CB 4.24Å; T409-L418 HydrophobicContact CG2-CD1 3.65Å
410D83.4Confident87.3Confident88 Ų8857.9 Ų57.947%0.47128%0.279SS..  trans-87.1-33.7174.5-69.8-52.5000112.3K379 P380K379-D410 WeakPolarHBondContact CA-O 3.41Å; K379-D410 IonicContact NZ-OD1 3.18Å; P380-D410 WeakPolarHBondContact CD-O 3.4Å
411S87.9Confident87.3Confident25 Ų2562.6 Ų62.618%0.17530%0.301CS..SBendtrans-113.7166176.373.70000114.5E413 D414 F415S411-E413 VanDerWaalsContact C-N 3.32Å; S411-D414 WeakPolarHBondContact CB-OD2 3.44Å; S411-D414 PolarHBondContact N-OD2 3.2Å; S411-D414 PolarHBondContact O-N 2.89Å; S411-D414 WeakPolarHBondContact OG-CB 3.13Å; S411-D414 PolarHBondContact OG-N 2.88Å; S411-D414 PolarHBondContact OG-OD2 3.12Å; S411-F415 PolarHBondContact O-N 3.46Å; S411-F415 VanDerWaalsContact O-N 3.16Å
412V87.4Confident87Confident16 Ų1663.4 Ų63.410%0.09731%0.307CS..Hα-helixtrans-68.8-34.5171.7176.70000110.7L373 E375 P380 F415 Y416L373-V412 HydrophobicContact CB-CG1 4.23Å; L373-V412 HydrophobicContact CB-CG2 4.43Å; E375-V412 HydrophobicContact CB-CG2 4.08Å; P380-V412 HydrophobicContact CB-CG2 3.91Å; V412-F415 WeakPolarHBondContact O-CB 3.48Å; V412-F415 PolarHBondContact O-N 3.23Å; V412-Y416 HydrophobicContact CG1-CD2 3.79Å; V412-Y416 HydrophobicContact CG1-CE2 3.52Å; V412-Y416 VanDerWaalsContact O-CD2 3.24Å; V412-Y416 WeakPolarHBondContact O-CD2 3.47Å; V412-Y416 PolarHBondContact O-N 3.31Å
413E86.8Confident86.4Confident129 Ų12970.1 Ų70.160%0.60334%0.338SS*.Hα-helixtrans-62.6-41.8173.2-73.959-139.700111.5S411 Y416 M417S411-E413 VanDerWaalsContact C-N 3.32Å; E413-Y416 PolarHBondContact O-N 2.85Å; E413-M417 VanDerWaalsContact O-CB 3.26Å; E413-M417 WeakPolarHBondContact O-CB 3.49Å; E413-M417 PolarHBondContact O-N 2.95Å
414D88.6Confident86.1Confident58 Ų5876 Ų7631%0.3136%0.362SS..Hα-helixtrans-65.5-42.2175.4-70-53.1000111.5S411 Y416 M417 L418S411-D414 WeakPolarHBondContact CB-OD2 3.44Å; S411-D414 PolarHBondContact N-OD2 3.2Å; S411-D414 PolarHBondContact O-N 2.89Å; S411-D414 WeakPolarHBondContact OG-CB 3.13Å; S411-D414 PolarHBondContact OG-N 2.88Å; S411-D414 PolarHBondContact OG-OD2 3.12Å; D414-Y416 PolarHBondContact O-N 3.27Å; D414-M417 PolarHBondContact O-N 3.01Å; D414-M417 WeakPolarHBondContact OD1-CE 2.99Å; D414-L418 WeakPolarHBondContact O-CB 3.06Å; D414-L418 WeakPolarHBondContact O-CG 3.45Å; D414-L418 PolarHBondContact O-N 2.81Å
415F88.5Confident85.7Confident1 Ų180.5 Ų80.50%0.00439%0.386CS..Hα-helixtrans-54.5-54.9172.4177.1-83.2000110.7L371 L373 V401 I404 T409 S411 V412 M417 L418 I419L371-F415 HydrophobicContact CD2-CE1 4.42Å; L371-F415 HydrophobicContact CD2-CE2 4.3Å; L371-F415 HydrophobicContact CD2-CZ 3.72Å; L373-F415 HydrophobicContact CD1-CB 4.02Å; L373-F415 HydrophobicContact CD1-CD1 3.33Å; L373-F415 HydrophobicContact CD1-CD2 3.7Å; L373-F415 HydrophobicContact CD1-CE1 3.63Å; L373-F415 HydrophobicContact CD1-CE2 3.99Å; L373-F415 HydrophobicContact CD1-CG 3.39Å; L373-F415 HydrophobicContact CD1-CZ 3.96Å; V401-F415 HydrophobicContact CB-CD2 4.45Å; V401-F415 HydrophobicContact CG1-CD2 3.9Å; V401-F415 HydrophobicContact CG1-CE2 4.04Å; V401-F415 HydrophobicContact CG2-CE2 4.43Å; I404-F415 HydrophobicContact CD1-CB 4.39Å; I404-F415 HydrophobicContact CD1-CD1 4.5Å; I404-F415 HydrophobicContact CD1-CD2 3.32Å; I404-F415 HydrophobicContact CD1-CE2 3.54Å; I404-F415 HydrophobicContact CD1-CG 3.83Å; I404-F415 HydrophobicContact CD1-CZ 4.22Å; I404-F415 HydrophobicContact CG1-CD2 3.96Å; I404-F415 HydrophobicContact CG1-CE2 4.08Å; T409-F415 HydrophobicContact CG2-CB 4.24Å; S411-F415 PolarHBondContact O-N 3.46Å; S411-F415 VanDerWaalsContact O-N 3.16Å; V412-F415 WeakPolarHBondContact O-CB 3.48Å; V412-F415 PolarHBondContact O-N 3.23Å; F415-M417 VanDerWaalsContact C-N 3.3Å; F415-M417 PolarHBondContact O-N 3.1Å; F415-L418 PolarHBondContact O-N 2.78Å; F415-I419 HydrophobicContact CD1-CG1 4.08Å; F415-I419 HydrophobicContact CE1-CD1 4.41Å; F415-I419 HydrophobicContact CE1-CG1 3.72Å; F415-I419 HydrophobicContact CZ-CD1 4.21Å; F415-I419 HydrophobicContact CZ-CG1 3.99Å; F415-I419 WeakPolarHBondContact O-CG1 3.28Å; F415-I419 PolarHBondContact O-N 3.28Å
416Y87.8Confident85.7Confident71 Ų7183.4 Ų83.428%0.27840%0.398SS..Hα-helixtrans-67.4-28.4179.6-71.9-59.2000113.1V412 E413 D414 R420V412-Y416 HydrophobicContact CG1-CD2 3.79Å; V412-Y416 HydrophobicContact CG1-CE2 3.52Å; V412-Y416 VanDerWaalsContact O-CD2 3.24Å; V412-Y416 WeakPolarHBondContact O-CD2 3.47Å; V412-Y416 PolarHBondContact O-N 3.31Å; E413-Y416 PolarHBondContact O-N 2.85Å; D414-Y416 PolarHBondContact O-N 3.27Å; Y416-R420 VanDerWaalsContact O-CB 3.29Å; Y416-R420 WeakPolarHBondContact O-CB 3.34Å; Y416-R420 WeakPolarHBondContact O-CD 3.49Å; Y416-R420 WeakPolarHBondContact O-CG 3.18Å; Y416-R420 PolarHBondContact O-N 2.82Å
417M88.8Confident85.8Confident67 Ų6778 Ų7833%0.3337%0.369SS..Hα-helixtrans-66.2-46172.3175.8178.957.600111.5E413 D414 F415 R420 K421E413-M417 VanDerWaalsContact O-CB 3.26Å; E413-M417 WeakPolarHBondContact O-CB 3.49Å; E413-M417 PolarHBondContact O-N 2.95Å; D414-M417 PolarHBondContact O-N 3.01Å; D414-M417 WeakPolarHBondContact OD1-CE 2.99Å; F415-M417 VanDerWaalsContact C-N 3.3Å; F415-M417 PolarHBondContact O-N 3.1Å; M417-R420 PolarHBondContact O-N 2.85Å; M417-K421 HydrophobicContact CG-CD 3.83Å; M417-K421 HydrophobicContact CG-CG 4.46Å; M417-K421 WeakPolarHBondContact O-CB 3.26Å; M417-K421 WeakPolarHBondContact O-CG 3.34Å; M417-K421 PolarHBondContact O-N 3.49Å; M417-K421 HydrophobicContact SD-CD 4.43Å; M417-K421 PolarHBondContact SD-NZ 2.98Å
418L87.6Confident85.9Confident29 Ų2974.2 Ų74.215%0.15235%0.348CS..Hα-helixtrans-66.2-41.6178.3-70.5-177.9000111.3I404 L407 T409 D414 F415 R420 K421 S422I404-L418 HydrophobicContact CB-CB 4.4Å; I404-L418 HydrophobicContact CB-CD1 4.17Å; I404-L418 HydrophobicContact CD1-CB 3.98Å; I404-L418 HydrophobicContact CD1-CD1 4.5Å; L407-L418 HydrophobicContact CB-CD1 3.83Å; L407-L418 HydrophobicContact CB-CD2 4.25Å; L407-L418 HydrophobicContact CD1-CD2 3.74Å; T409-L418 HydrophobicContact CG2-CD1 3.65Å; D414-L418 WeakPolarHBondContact O-CB 3.06Å; D414-L418 WeakPolarHBondContact O-CG 3.45Å; D414-L418 PolarHBondContact O-N 2.81Å; F415-L418 PolarHBondContact O-N 2.78Å; L418-R420 PolarHBondContact O-N 2.69Å; L418-K421 PolarHBondContact O-N 2.82Å; L418-S422 PolarHBondContact O-N 3.38Å
419I87.8Confident86.1Confident7 Ų767.1 Ų67.14%0.03632%0.315CS..Hα-helixtrans-58.5-46.4171.5-67.2-65.2000110.9L364 L367 K368 I404 F415 K421 S422 V427L364-I419 HydrophobicContact CD1-CB 4.38Å; L364-I419 HydrophobicContact CD1-CD1 3.78Å; L364-I419 HydrophobicContact CD1-CG2 3.9Å; L364-I419 HydrophobicContact CG-CG2 4.28Å; L367-I419 HydrophobicContact CB-CD1 4.17Å; L367-I419 HydrophobicContact CD1-CD1 3.78Å; K368-I419 HydrophobicContact CB-CG2 4.43Å; I404-I419 HydrophobicContact CD1-CD1 3.88Å; I404-I419 HydrophobicContact CD1-CG1 3.8Å; I404-I419 HydrophobicContact CG2-CD1 4.43Å; F415-I419 HydrophobicContact CD1-CG1 4.08Å; F415-I419 HydrophobicContact CE1-CD1 4.41Å; F415-I419 HydrophobicContact CE1-CG1 3.72Å; F415-I419 HydrophobicContact CZ-CD1 4.21Å; F415-I419 HydrophobicContact CZ-CG1 3.99Å; F415-I419 WeakPolarHBondContact O-CG1 3.28Å; F415-I419 PolarHBondContact O-N 3.28Å; I419-K421 VanDerWaalsContact C-N 3.33Å; I419-K421 PolarHBondContact O-N 3.3Å; I419-S422 PolarHBondContact O-N 3.06Å; I419-V427 HydrophobicContact CD1-CG2 4.12Å
420R85Confident86.2Confident216 Ų21667.6 Ų67.682%0.81532%0.318SS*.Hα-helixtrans-68.1-25.9177.9-73.5169.9-171.2-167.55.7114.4Y416 M417 L418Y416-R420 VanDerWaalsContact O-CB 3.29Å; Y416-R420 WeakPolarHBondContact O-CB 3.34Å; Y416-R420 WeakPolarHBondContact O-CD 3.49Å; Y416-R420 WeakPolarHBondContact O-CG 3.18Å; Y416-R420 PolarHBondContact O-N 2.82Å; M417-R420 PolarHBondContact O-N 2.85Å; L418-R420 PolarHBondContact O-N 2.69Å
421K85.8Confident86.5Confident140 Ų14063.4 Ų63.461%0.60930%0.296SS*.Hα-helixtrans-92.2-8177.4-72.4176.3179.1173.20113.2M417 L418 I419 M423M417-K421 HydrophobicContact CG-CD 3.83Å; M417-K421 HydrophobicContact CG-CG 4.46Å; M417-K421 WeakPolarHBondContact O-CB 3.26Å; M417-K421 WeakPolarHBondContact O-CG 3.34Å; M417-K421 PolarHBondContact O-N 3.49Å; M417-K421 HydrophobicContact SD-CD 4.43Å; M417-K421 PolarHBondContact SD-NZ 2.98Å; L418-K421 PolarHBondContact O-N 2.82Å; I419-K421 VanDerWaalsContact C-N 3.33Å; I419-K421 PolarHBondContact O-N 3.3Å; K421-M423 PolarHBondContact O-N 2.73Å
422S82.9Confident86.5Confident19 Ų1964.4 Ų64.413%0.13330%0.298CS..  trans-69.5120.5176.6-175.70000110.8L418 I419 K424 V427L418-S422 PolarHBondContact O-N 3.38Å; I419-S422 PolarHBondContact O-N 3.06Å; S422-K424 VanDerWaalsContact C-N 3.25Å; S422-K424 PolarHBondContact OG-N 3.49Å; S422-K424 PolarHBondContact OG-O 3.36Å; S422-V427 VanDerWaalsContact OG-CG1 3.26Å; S422-V427 WeakPolarHBondContact OG-CG1 3.38Å
423M76.6Confident86.2Confident190 Ų19064.8 Ų64.894%0.93630%0.297SS*.  trans-89.313.6169.6-59.5-61.4-63.100112.4K421K421-M423 PolarHBondContact O-N 2.73Å
424K81.3Confident85.5Confident130 Ų13062.4 Ų62.457%0.56529%0.286SS*.SBendtrans-115.1135.7179.6-60.4-179.5-178.6177.20110.7S422 E426S422-K424 VanDerWaalsContact C-N 3.25Å; S422-K424 PolarHBondContact OG-N 3.49Å; S422-K424 PolarHBondContact OG-O 3.36Å; K424-E426 WeakPolarHBondContact CB-O 3.35Å; K424-E426 PolarHBondContact O-N 2.79Å
425D81.3Confident83.8Confident96 Ų9670.4 Ų70.451%0.51331%0.312SS..SBendtrans-67.9-21.7175.5-59.3-48.2000113.2N363 L364N363-D425 CarbonylContact C-O 3.5Å; N363-D425 WeakPolarHBondContact CA-O 3.37Å; N363-D425 PolarHBondContact ND2-O 2.62Å; L364-D425 WeakPolarHBondContact CB-O 3.39Å; L364-D425 PolarHBondContact N-O 3.25Å
426E86.1Confident82.3Confident105 Ų10573.9 Ų73.949%0.49135%0.348SS..EExtended strand (participates in β ladder)trans-121.3142.8170.6-63.1-175.6171.100110.6M361 K424M361-E426 HydrophobicContact CE-CB 3.66Å; K424-E426 WeakPolarHBondContact CB-O 3.35Å; K424-E426 PolarHBondContact O-N 2.79Å
427V88.6Confident80.8Confident0 Ų071.5 Ų71.50%034%0.342CS..EExtended strand (participates in β ladder)trans-129.5148175.3-57.90000110.9V362 L364 L367 I404 N405 I419 S422 V429V362-V427 PolarHBondContact N-O 3.14Å; V362-V427 PolarHBondContact O-N 3.17Å; L364-V427 HydrophobicContact CD1-CG1 3.67Å; L364-V427 HydrophobicContact CD1-CG2 4.42Å; L367-V427 HydrophobicContact CD1-CG2 3.24Å; I404-V427 HydrophobicContact CG2-CB 3.86Å; I404-V427 HydrophobicContact CG2-CG1 4.43Å; I404-V427 HydrophobicContact CG2-CG2 3.85Å; N405-V427 VanDerWaalsContact ND2-CG1 3.34Å; N405-V427 WeakPolarHBondContact ND2-CG1 3.42Å; N405-V427 WeakPolarHBondContact OD1-CA 3.45Å; I419-V427 HydrophobicContact CD1-CG2 4.12Å; S422-V427 VanDerWaalsContact OG-CG1 3.26Å; S422-V427 WeakPolarHBondContact OG-CG1 3.38Å; V427-V429 HydrophobicContact CG2-CG2 4.13Å
428K89.9Confident79.2Confident21 Ų2175.9 Ų75.99%0.09136%0.361CS..EExtended strand (participates in β ladder)trans-77.7123.4169.8-164.9-176.874.21520108.3E359 F360 M361 I404 N405 D406E359-K428 HydrophobicContact CB-CD 4.45Å; E359-K428 HydrophobicContact CB-CG 4.48Å; E359-K428 WeakPolarHBondContact OE1-CE 3.36Å; E359-K428 IonicContact OE1-NZ 3.13Å; E359-K428 PolarHBondContact OE1-NZ 3.06Å; E359-K428 WeakPolarHBondContact OE2-CD 3.44Å; E359-K428 WeakPolarHBondContact OE2-CE 3.31Å; E359-K428 IonicContact OE2-NZ 3.47Å; E359-K428 PolarHBondContact OE2-NZ 2.88Å; F360-K428 CarbonylContact O-C 3.51Å; F360-K428 WeakPolarHBondContact O-CA 3.37Å; M361-K428 HydrophobicContact SD-CB 3.77Å; M361-K428 HydrophobicContact SD-CG 4.16Å; I404-K428 CarbonylContact C-O 3.53Å; I404-K428 VanDerWaalsContact CA-O 3.3Å; I404-K428 WeakPolarHBondContact CA-O 3.45Å; N405-K428 PolarHBondContact N-O 2.93Å; N405-K428 PolarHBondContact OD1-N 3Å; D406-K428 WeakPolarHBondContact OD1-CE 3.3Å; D406-K428 IonicContact OD1-NZ 2.7Å; D406-K428 PolarHBondContact OD1-NZ 2.93Å; D406-K428 VanDerWaalsContact OD2-CE 3.29Å; D406-K428 WeakPolarHBondContact OD2-CE 3.31Å; D406-K428 IonicContact OD2-NZ 2.79Å; D406-K428 PolarHBondContact OD2-NZ 3.37Å
429V90.3Very high77.7Confident0 Ų075.9 Ų75.90%037%0.366CS..EExtended strand (participates in β ladder)trans-108.8123.4171.4-172.40000108.1E359 F360 V362 L367 F395 V401 V427 I431E359-V429 WeakPolarHBondContact CA-O 3.42Å; F360-V429 PolarHBondContact N-O 2.73Å; F360-V429 PolarHBondContact O-N 3.05Å; V362-V429 HydrophobicContact CG2-CG2 4.36Å; L367-V429 HydrophobicContact CD1-CG2 3.54Å; L367-V429 HydrophobicContact CD2-CG2 4.05Å; L367-V429 HydrophobicContact CG-CG2 4.45Å; F395-V429 HydrophobicContact CE1-CG1 4.18Å; F395-V429 HydrophobicContact CZ-CG1 4.38Å; V401-V429 HydrophobicContact CG1-CG1 3.92Å; V427-V429 HydrophobicContact CG2-CG2 4.13Å; V429-I431 HydrophobicContact CG1-CG2 4.07Å
430T88.3Confident76.2Confident12 Ų1277.6 Ų77.67%0.07438%0.375CS..EExtended strand (participates in β ladder)trans-103.7119.5174.8-52.90000108R358 E359 V402 A403R358-T430 WeakPolarHBondContact O-CA 2.99Å; E359-T430 HydrophobicContact CG-CG2 4.06Å; E359-T430 WeakPolarHBondContact OE1-CG2 3.43Å; E359-T430 PolarHBondContact OE1-OG1 2.76Å; V402-T430 HydrophobicContact CB-CG2 4.47Å; V402-T430 PolarHBondContact N-O 2.86Å; A403-T430 PolarHBondContact N-O 2.95Å; A403-T430 PolarHBondContact O-N 2.89Å
431I90.1Very high74.4Confident0 Ų072 Ų720%036%0.358CS..EExtended strand (participates in β ladder)trans-113.5159.9177.164.5153.6000111.8L357 R358 F360 F395 D399 R400 V401 V429L357-I431 VanDerWaalsContact CA-O 3.29Å; L357-I431 WeakPolarHBondContact CA-O 3.5Å; L357-I431 WeakPolarHBondContact CD2-O 3.28Å; R358-I431 HydrophobicContact CB-CD1 4.23Å; R358-I431 HydrophobicContact CB-CG1 3.85Å; R358-I431 PolarHBondContact N-O 3.33Å; R358-I431 WeakPolarHBondContact O-CG1 3.34Å; R358-I431 PolarHBondContact O-N 3.02Å; F360-I431 HydrophobicContact CE2-CD1 3.59Å; F360-I431 HydrophobicContact CE2-CG1 3.68Å; F360-I431 HydrophobicContact CE2-CG2 4.33Å; F360-I431 HydrophobicContact CZ-CD1 3.67Å; F360-I431 HydrophobicContact CZ-CG1 3.95Å; F395-I431 HydrophobicContact CD1-CG2 4.18Å; F395-I431 HydrophobicContact CE1-CG2 3.89Å; D399-I431 HydrophobicContact CB-CD1 3.9Å; D399-I431 WeakPolarHBondContact OD2-CD1 3.39Å; R400-I431 CarbonylContact O-C 3.59Å; R400-I431 VanDerWaalsContact O-CA 3.23Å; R400-I431 WeakPolarHBondContact O-CA 3.26Å; R400-I431 WeakPolarHBondContact O-CB 3.46Å; V401-I431 HydrophobicContact CG2-CG2 4.41Å; V429-I431 HydrophobicContact CG1-CG2 4.07Å
432Q86.3Confident72.1Confident45 Ų4575.6 Ų75.621%0.2137%0.368CS..EExtended strand (participates in β ladder)trans-112.2110.9167.5158.1171.852.100108V355 L357 R400 V402V355-Q432 HydrophobicContact CG1-CB 4.13Å; V355-Q432 HydrophobicContact CG1-CG 3.64Å; V355-Q432 VanDerWaalsContact CG1-NE2 3.29Å; L357-Q432 HydrophobicContact CD2-CB 4Å; R400-Q432 HydrophobicContact CB-CB 4.31Å; R400-Q432 PolarHBondContact N-O 3.4Å; R400-Q432 PolarHBondContact O-N 3.21Å; V402-Q432 HydrophobicContact CG2-CB 3.59Å
433R82.6Confident70Confident25 Ų2579.3 Ų79.39%0.09439%0.394CS..EExtended strand (participates in β ladder)trans-86.8134.7174.6-176156.1-66.7163.59.3110.3D356 L394 H396 D399 C437D356-R433 HydrophobicContact CB-CB 4.17Å; D356-R433 PolarHBondContact O-N 3.25Å; L394-R433 PolarHBondContact O-NH2 3.32Å; H396-R433 PolarHBondContact CE1-NH1 2.87Å; H396-R433 VanDerWaalsContact CG-CZ 3.45Å; H396-R433 PolarHBondContact ND1-NH2 2.78Å; H396-R433 PolarHBondContact NE2-NH1 2.96Å; D399-R433 WeakPolarHBondContact OD1-CA 3.15Å; D399-R433 WeakPolarHBondContact OD1-CB 3.49Å; D399-R433 VanDerWaalsContact OD1-CG 3.32Å; D399-R433 WeakPolarHBondContact OD1-CG 3.49Å; D399-R433 IonicContact OD1-CZ 3.64Å; D399-R433 IonicContact OD1-NE 2.7Å; D399-R433 PolarHBondContact OD1-NE 2.83Å; D399-R433 IonicContact OD1-NH2 2.75Å; D399-R433 IonicContact OD2-CZ 2.62Å; D399-R433 IonicContact OD2-NE 3.63Å; D399-R433 PolarHBondContact OD2-NE 2.7Å; D399-R433 IonicContact OD2-NH2 2.68Å; D399-R433 PolarHBondContact OD2-NH2 3.07Å; R433-C437 HydrophobicContact CG-CB 4.37Å
434Q70.5Confident68.3Low78 Ų7878.2 Ų78.236%0.36439%0.391SS..  trans-93.9151.9174.9-59.5-62.9-21.900110.5G436 C437Q434-G436 PolarHBondContact O-N 2.77Å; Q434-G436 VanDerWaalsContact O-N 3.08Å; Q434-C437 PolarHBondContact O-N 2.61Å; Q434-C437 PolarHBondContact O-SG 3.3Å; Q434-C437 VanDerWaalsContact O-SG 3.41Å
435R54.7Low66.5Low226 Ų22674.4 Ų74.485%0.85338%0.381SS*.THydrogen-bonded Turntrans-70106.6176.6-71.2-176.6178.1173.5-0.5109.7
436G56.1Low64.5Low75 Ų7575.9 Ų75.977%0.77340%0.396SS*.THydrogen-bonded Turntrans124.4-8.1178.800000115.2Q434 Q438Q434-G436 PolarHBondContact O-N 2.77Å; Q434-G436 VanDerWaalsContact O-N 3.08Å; G436-Q438 PolarHBondContact O-N 3.5Å
437C55.9Low62.3Low21 Ų2173.6 Ų73.614%0.14239%0.391CS..PPolyproline II helixtrans-55.1121.1176.8-68.80000111.9H396 K397 R433 Q434H396-C437 HydrophobicContact CB-CB 3.9Å; K397-C437 VanDerWaalsContact O-CB 3.29Å; K397-C437 WeakPolarHBondContact O-CB 3.25Å; K397-C437 PolarHBondContact O-SG 3.45Å; R433-C437 HydrophobicContact CG-CB 4.37Å; Q434-C437 PolarHBondContact O-N 2.61Å; Q434-C437 PolarHBondContact O-SG 3.3Å; Q434-C437 VanDerWaalsContact O-SG 3.41Å
438Q55.4Low60Low158 Ų15879.5 Ų79.574%0.73843%0.432SS*.PPolyproline II helixtrans-74.1132.4174.1-71.1-177.3-13.300110.6H396 K397 G436 L440H396-Q438 WeakPolarHBondContact CB-O 3.37Å; K397-Q438 PolarHBondContact N-O 3.18Å; G436-Q438 PolarHBondContact O-N 3.5Å; Q438-L440 PolarHBondContact O-N 2.66Å
439A56.6Low57.3Low29 Ų2985.8 Ų85.824%0.2450%0.503CS..BIsolated β-bridgetrans-62.5133.1171.500000110.5H441A439-H441 WeakPolarHBondContact CB-NE2 3.44Å; A439-H441 PolarHBondContact O-CD2 2.98Å; A439-H441 PolarHBondContact O-N 2.8Å
440L56.1Low55.6Low44 Ų4490.1 Ų90.123%0.2353%0.528CS..  trans-78.576179.2-70.9166.5000109.8V382 W385 K397 Q438V382-L440 HydrophobicContact CG1-CD1 4.27Å; W385-L440 HydrophobicContact CB-CD1 4.19Å; K397-L440 HydrophobicContact CB-CD2 4.01Å; K397-L440 HydrophobicContact CB-CG 4.28Å; Q438-L440 PolarHBondContact O-N 2.66Å
441H47.9Very low53.9Low99 Ų9994.2 Ų94.246%0.45855%0.552SS.*PPolyproline II helixtrans-78.9139175.5-74.1-84.9000111.8C393 A439C393-H441 PolarHBondContact SG-CE1 2.85Å; A439-H441 WeakPolarHBondContact CB-NE2 3.44Å; A439-H441 PolarHBondContact O-CD2 2.98Å; A439-H441 PolarHBondContact O-N 2.8Å
442W36.3Very low51.9Low215 Ų21599.4 Ų99.481%0.81458%0.583SS**PPolyproline II helixtrans-75141.1138.7-96.348000108.4S445W442-S445 PolarHBondContact O-OG 3.48Å
443S39.9Very low49.9Very low97 Ų97102.6 Ų102.668%0.67861%0.605SS**THydrogen-bonded Turntrans-55.1143.7174.546.70000111.3
444D40.2Very low47.8Very low166 Ų166107.4 Ų107.489%0.88864%0.636SS**THydrogen-bonded Turntrans7333.3174-47.2-31.3000117
445S42.8Very low46.3Very low50 Ų50109.4 Ų109.435%0.3566%0.655SS.*  trans-123.9121162.158.70000112.6W442 C447W442-S445 PolarHBondContact O-OG 3.48Å; S445-C447 PolarHBondContact O-N 3.29Å
446P40.9Very low45.7Very low128 Ų128101.1 Ų101.183%0.83164%0.64SS**  trans-81.599.317731.6-32.5000110.8S448P446-S448 PolarHBondContact O-N 3.45Å
447C39.3Very low44.9Very low56 Ų56103.1 Ų103.138%0.37863%0.63SS.*  trans-71.2113.6165.2-66.40000108.9C393 S445C393-C447 HydrophobicContact CB-CB 3.92Å; C393-C447 WeakPolarHBondContact CB-SG 3.16Å; C393-C447 WeakPolarHBondContact SG-CB 3.49Å; C393-C447 CovalentContact SG-SG 2.05Å; C393-C447 PolarHBondContact SG-SG 3.46Å; S445-C447 PolarHBondContact O-N 3.29Å
448S38.8Very low44Very low124 Ų124109.9 Ų109.987%0.86767%0.671SS**  trans-64.2132.9172.4-550000110.4P446P446-S448 PolarHBondContact O-N 3.45Å
449G34Very low43Very low153 Ų153105.5 Ų105.5100%1.57767%0.665SS**  trans-92.10175.800000113.7

Retrieved 449 of 449 residues in 316.4 ms (Link to these results)

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