A0A087YIK3_POEFO Loading...

NADH-cytochrome b5 reductase

Catalyzes the reduction of two molecules of cytochrome b5 using NADH as the electron donor.

AlphaFold DB , UniProt , Accession A0A087YIK3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 299 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
1M52.5Low48.4Very low197 Ų197118.8 Ų118.897%0.9762%0.623SS**  0-46.70-142.6-168.7-75.100111.9S3 Y4M1-S3 PolarHBondContact O-N 3.27Å; M1-Y4 PolarHBondContact O-N 2.88Å
2L43.1Very low49.2Very low138 Ų138111.7 Ų111.772%0.72360%0.6SS**Hα-helixtrans-62-38.3-179.5-137.476.3000114.8Y4 I5 I6L2-Y4 VanDerWaalsContact C-N 3.32Å; L2-Y4 PolarHBondContact O-N 3.32Å; L2-I5 PolarHBondContact O-N 2.76Å; L2-I6 WeakPolarHBondContact O-CD1 3.34Å; L2-I6 VanDerWaalsContact O-CG1 3.31Å; L2-I6 WeakPolarHBondContact O-CG1 3.33Å; L2-I6 PolarHBondContact O-N 2.84Å
3S46.2Very low49.9Very low101 Ų101113.9 Ų113.971%0.70660%0.601SS**Hα-helixtrans-68.7-26.3179.425.50000114M1 G7M1-S3 PolarHBondContact O-N 3.27Å; S3-G7 PolarHBondContact O-N 3.43Å
4Y45.6Very low50.6Low189 Ų189112.7 Ų112.774%0.74160%0.595SS**Hα-helixtrans-76.1-38.9177.6-140.6-92.7000111.3M1 L2 G7 L8M1-Y4 PolarHBondContact O-N 2.88Å; L2-Y4 VanDerWaalsContact C-N 3.32Å; L2-Y4 PolarHBondContact O-N 3.32Å; Y4-G7 PolarHBondContact O-N 3.04Å; Y4-L8 HydrophobicContact CD1-CD1 3.91Å; Y4-L8 HydrophobicContact CE1-CD1 4.28Å; Y4-L8 PolarHBondContact O-N 2.98Å; Y4-L8 VanDerWaalsContact O-N 3.14Å
5I50.5Low51.6Low93 Ų93110.2 Ų110.248%0.47759%0.591SS.*Hα-helixtrans-68.5-38.8177.8-62.7172.2000110.8L2 L8 I9L2-I5 PolarHBondContact O-N 2.76Å; I5-L8 PolarHBondContact O-N 3.48Å; I5-I9 HydrophobicContact CG2-CD1 3.97Å; I5-I9 WeakPolarHBondContact O-CG1 3.19Å; I5-I9 PolarHBondContact O-N 2.84Å; I5-I9 VanDerWaalsContact O-N 3.14Å
6I47.8Very low52.9Low90 Ų90109.3 Ų109.346%0.46258%0.584SS.*Hα-helixtrans-66.5-36.3176.1-64.9165.3000111.7L2 R10L2-I6 WeakPolarHBondContact O-CD1 3.34Å; L2-I6 VanDerWaalsContact O-CG1 3.31Å; L2-I6 WeakPolarHBondContact O-CG1 3.33Å; L2-I6 PolarHBondContact O-N 2.84Å; I6-R10 PolarHBondContact O-N 3.09Å; I6-R10 VanDerWaalsContact O-N 3.15Å
7G46.7Very low53.9Low45 Ų45107.5 Ų107.546%0.46457%0.574SS.*Hα-helixtrans-67.2-39.1175.400000113.6S3 Y4 G11S3-G7 PolarHBondContact O-N 3.43Å; Y4-G7 PolarHBondContact O-N 3.04Å; G7-G11 PolarHBondContact O-N 2.92Å
8L47.1Very low54.3Low119 Ų119107 Ų10762%0.62357%0.571SS**Hα-helixtrans-66.5-38.4175.5-95.2141000112.8Y4 I5 G12Y4-L8 HydrophobicContact CD1-CD1 3.91Å; Y4-L8 HydrophobicContact CE1-CD1 4.28Å; Y4-L8 PolarHBondContact O-N 2.98Å; Y4-L8 VanDerWaalsContact O-N 3.14Å; I5-L8 PolarHBondContact O-N 3.48Å; L8-G12 PolarHBondContact O-N 3.01Å; L8-G12 VanDerWaalsContact O-N 3.11Å
9I50.4Low54.9Low107 Ų107106.6 Ų106.655%0.54957%0.569SS.*Hα-helixtrans-70.7-41.1178.5-65.7166.8000111.2I5 G12 F13I5-I9 HydrophobicContact CG2-CD1 3.97Å; I5-I9 WeakPolarHBondContact O-CG1 3.19Å; I5-I9 PolarHBondContact O-N 2.84Å; I5-I9 VanDerWaalsContact O-N 3.14Å; I9-G12 PolarHBondContact O-N 2.83Å; I9-F13 PolarHBondContact O-N 2.87Å; I9-F13 VanDerWaalsContact O-N 3.08Å
10R49.1Very low55.5Low185 Ų185105.5 Ų105.570%0.69856%0.562SS**Hα-helixtrans-64-45.4175-90.2-178.5167.8163.1-3.2112.6I6 G12 F13 D14I6-R10 PolarHBondContact O-N 3.09Å; I6-R10 VanDerWaalsContact O-N 3.15Å; R10-G12 VanDerWaalsContact C-N 3.32Å; R10-G12 PolarHBondContact O-N 3.44Å; R10-F13 PolarHBondContact O-N 2.89Å; R10-D14 PolarHBondContact O-N 2.72Å
11G53.2Low55.7Low43 Ų43105.9 Ų105.944%0.44356%0.559SS.*Hα-helixtrans-64.1-34.2177.700000113.7G7 S15G7-G11 PolarHBondContact O-N 2.92Å; G11-S15 VanDerWaalsContact O-CB 3.28Å; G11-S15 WeakPolarHBondContact O-CB 3.2Å; G11-S15 PolarHBondContact O-N 3.42Å; G11-S15 VanDerWaalsContact O-N 3.16Å
12G57.8Low56Low33 Ų33105.7 Ų105.734%0.3455%0.547SS..Hα-helixtrans-68.5-41.6173.400000113.1L8 I9 R10 S15 I16L8-G12 PolarHBondContact O-N 3.01Å; L8-G12 VanDerWaalsContact O-N 3.11Å; I9-G12 PolarHBondContact O-N 2.83Å; R10-G12 VanDerWaalsContact C-N 3.32Å; R10-G12 PolarHBondContact O-N 3.44Å; G12-S15 PolarHBondContact O-N 2.76Å; G12-I16 WeakPolarHBondContact O-CD1 3.32Å; G12-I16 VanDerWaalsContact O-CG1 3.26Å; G12-I16 WeakPolarHBondContact O-CG1 3.36Å; G12-I16 PolarHBondContact O-N 2.9Å
13F59Low56.7Low141 Ų141105.2 Ų105.262%0.61855%0.545SS*.Hα-helixtrans-67.3-43.8178.4-122.6-96000112.3I9 R10 S15 I16 I17I9-F13 PolarHBondContact O-N 2.87Å; I9-F13 VanDerWaalsContact O-N 3.08Å; R10-F13 PolarHBondContact O-N 2.89Å; F13-S15 VanDerWaalsContact C-N 3.3Å; F13-S15 PolarHBondContact O-N 3.03Å; F13-I16 PolarHBondContact O-N 3.33Å; F13-I17 HydrophobicContact CD1-CD1 4.03Å; F13-I17 WeakPolarHBondContact O-CB 3.48Å; F13-I17 VanDerWaalsContact O-CG1 3.32Å; F13-I17 WeakPolarHBondContact O-CG1 3.25Å; F13-I17 PolarHBondContact O-N 2.8Å
14D59.6Low57.2Low97 Ų97106.5 Ų106.552%0.51954%0.543SS..Hα-helixtrans-66.7-32.6177.2-72.4-26000112.3R10 N18R10-D14 PolarHBondContact O-N 2.72Å; D14-N18 VanDerWaalsContact O-CB 3.27Å; D14-N18 WeakPolarHBondContact O-CB 3.33Å; D14-N18 PolarHBondContact O-N 3.3Å; D14-N18 PolarHBondContact O-ND2 3.31Å
15S65.9Low57.6Low75 Ų75104.2 Ų104.252%0.52454%0.537SS..Hα-helixtrans-69.7-41.9174.8-171.80000111.9G11 G12 F13 N18 L19G11-S15 VanDerWaalsContact O-CB 3.28Å; G11-S15 WeakPolarHBondContact O-CB 3.2Å; G11-S15 PolarHBondContact O-N 3.42Å; G11-S15 VanDerWaalsContact O-N 3.16Å; G12-S15 PolarHBondContact O-N 2.76Å; F13-S15 VanDerWaalsContact C-N 3.3Å; F13-S15 PolarHBondContact O-N 3.03Å; S15-N18 PolarHBondContact O-N 2.85Å; S15-L19 VanDerWaalsContact O-CB 3.29Å; S15-L19 WeakPolarHBondContact O-CB 3.48Å; S15-L19 PolarHBondContact O-N 2.82Å
16I71.3Confident57.7Low96 Ų96103.8 Ų103.849%0.49254%0.542SS..Hα-helixtrans-68.1-42.4176.4-68.8164.8000110.8G12 F13 L19 I20G12-I16 WeakPolarHBondContact O-CD1 3.32Å; G12-I16 VanDerWaalsContact O-CG1 3.26Å; G12-I16 WeakPolarHBondContact O-CG1 3.36Å; G12-I16 PolarHBondContact O-N 2.9Å; F13-I16 PolarHBondContact O-N 3.33Å; I16-L19 PolarHBondContact O-N 2.85Å; I16-I20 HydrophobicContact CG2-CD1 3.65Å; I16-I20 HydrophobicContact CG2-CG1 4.32Å; I16-I20 WeakPolarHBondContact O-CB 3.31Å; I16-I20 VanDerWaalsContact O-CG1 3.25Å; I16-I20 WeakPolarHBondContact O-CG1 3.46Å; I16-I20 PolarHBondContact O-N 3.46Å
17I70.1Confident58.3Low78 Ų78109 Ų10940%0.456%0.562SS.*Hα-helixtrans-62.4-44175.2-70.4170.5000110.4F13 L19 I20 F21F13-I17 HydrophobicContact CD1-CD1 4.03Å; F13-I17 WeakPolarHBondContact O-CB 3.48Å; F13-I17 VanDerWaalsContact O-CG1 3.32Å; F13-I17 WeakPolarHBondContact O-CG1 3.25Å; F13-I17 PolarHBondContact O-N 2.8Å; I17-L19 VanDerWaalsContact C-N 3.35Å; I17-L19 PolarHBondContact O-N 2.91Å; I17-I20 PolarHBondContact O-N 3.32Å; I17-F21 HydrophobicContact CG2-CD2 4.13Å; I17-F21 WeakPolarHBondContact O-CB 3.24Å; I17-F21 PolarHBondContact O-N 2.81Å
18N61.2Low59.4Low99 Ų99116.1 Ų116.153%0.52958%0.58SS.*Hα-helixtrans-64.7-36.3175.3-88.4-53.8000113D14 S15 R22D14-N18 VanDerWaalsContact O-CB 3.27Å; D14-N18 WeakPolarHBondContact O-CB 3.33Å; D14-N18 PolarHBondContact O-N 3.3Å; D14-N18 PolarHBondContact O-ND2 3.31Å; S15-N18 PolarHBondContact O-N 2.85Å; N18-R22 WeakPolarHBondContact O-CB 3.41Å; N18-R22 VanDerWaalsContact O-CG 3.29Å; N18-R22 WeakPolarHBondContact O-CG 3.21Å; N18-R22 PolarHBondContact O-N 3.03Å
19L66.8Low61.2Low100 Ų100121.6 Ų121.652%0.52459%0.592SS.*Hα-helixtrans-69.3-43176.4-174.164.9000111.1S15 I16 I17 R22 L23S15-L19 VanDerWaalsContact O-CB 3.29Å; S15-L19 WeakPolarHBondContact O-CB 3.48Å; S15-L19 PolarHBondContact O-N 2.82Å; I16-L19 PolarHBondContact O-N 2.85Å; I17-L19 VanDerWaalsContact C-N 3.35Å; I17-L19 PolarHBondContact O-N 2.91Å; L19-R22 PolarHBondContact O-N 3.04Å; L19-L23 HydrophobicContact CD1-CD1 4.42Å; L19-L23 HydrophobicContact CG-CD1 4.01Å; L19-L23 WeakPolarHBondContact O-CB 3.31Å; L19-L23 VanDerWaalsContact O-CG 3.23Å; L19-L23 WeakPolarHBondContact O-CG 3.15Å; L19-L23 PolarHBondContact O-N 3.27Å
20I65.4Low63.1Low84 Ų84119.1 Ų119.143%0.43158%0.583SS.*Hα-helixtrans-63.9-42.4173.8-70.7169.8000110.2I16 I17 L23 L24I16-I20 HydrophobicContact CG2-CD1 3.65Å; I16-I20 HydrophobicContact CG2-CG1 4.32Å; I16-I20 WeakPolarHBondContact O-CB 3.31Å; I16-I20 VanDerWaalsContact O-CG1 3.25Å; I16-I20 WeakPolarHBondContact O-CG1 3.46Å; I16-I20 PolarHBondContact O-N 3.46Å; I17-I20 PolarHBondContact O-N 3.32Å; I20-L23 PolarHBondContact O-N 2.92Å; I20-L24 HydrophobicContact CG2-CD1 3.38Å; I20-L24 HydrophobicContact CG2-CG 4.04Å; I20-L24 WeakPolarHBondContact O-CB 3.13Å; I20-L24 WeakPolarHBondContact O-CG 3.39Å; I20-L24 PolarHBondContact O-N 2.82Å
21F59.8Low65.3Low114 Ų114112.5 Ų112.550%0.557%0.568SS.*Hα-helixtrans-62.6-42.7172.9-109-95.4000111.7I17 L23 L24 F25I17-F21 HydrophobicContact CG2-CD2 4.13Å; I17-F21 WeakPolarHBondContact O-CB 3.24Å; I17-F21 PolarHBondContact O-N 2.81Å; F21-L23 VanDerWaalsContact C-N 3.32Å; F21-L23 PolarHBondContact O-N 3.41Å; F21-L24 PolarHBondContact O-N 3.09Å; F21-F25 HydrophobicContact CB-CD2 4.38Å; F21-F25 AromaticContact CD1-CD2 3.26Å; F21-F25 HydrophobicContact CD1-CD2 3.26Å; F21-F25 AromaticContact CD1-CE2 3.39Å; F21-F25 HydrophobicContact CD1-CE2 3.39Å; F21-F25 HydrophobicContact CD1-CG 4.26Å; F21-F25 HydrophobicContact CD1-CZ 4.45Å; F21-F25 AromaticContact CE1-CD2 3.64Å; F21-F25 HydrophobicContact CE1-CD2 3.64Å; F21-F25 AromaticContact CE1-CE2 3.25Å; F21-F25 HydrophobicContact CE1-CE2 3.25Å; F21-F25 AromaticContact CE1-CZ 3.98Å; F21-F25 HydrophobicContact CE1-CZ 3.98Å; F21-F25 HydrophobicContact CE2-CE2 4.48Å; F21-F25 AromaticContact CG-CD2 3.95Å; F21-F25 HydrophobicContact CG-CD2 3.95Å; F21-F25 HydrophobicContact CG-CE2 4.09Å; F21-F25 AromaticContact CZ-CE2 3.85Å; F21-F25 HydrophobicContact CZ-CE2 3.85Å; F21-F25 WeakPolarHBondContact O-CA 3.46Å; F21-F25 WeakPolarHBondContact O-CB 3.44Å; F21-F25 WeakPolarHBondContact O-CD2 3.31Å; F21-F25 PolarHBondContact O-N 2.74Å
22R58.8Low67.5Low192 Ų192114.2 Ų114.273%0.72557%0.566SS**Hα-helixtrans-65.5-34.8175-78.9178.6-178.8-174.21.5112.4N18 L19 S26N18-R22 WeakPolarHBondContact O-CB 3.41Å; N18-R22 VanDerWaalsContact O-CG 3.29Å; N18-R22 WeakPolarHBondContact O-CG 3.21Å; N18-R22 PolarHBondContact O-N 3.03Å; L19-R22 PolarHBondContact O-N 3.04Å; R22-S26 WeakPolarHBondContact O-CA 3.46Å; R22-S26 WeakPolarHBondContact O-CB 3.42Å; R22-S26 PolarHBondContact O-N 3.31Å
23L59Low69.4Low129 Ų129112.8 Ų112.868%0.67555%0.551SS**Hα-helixtrans-76.7-36.5177.4-72.5166.1000112.2L19 I20 F21L19-L23 HydrophobicContact CD1-CD1 4.42Å; L19-L23 HydrophobicContact CG-CD1 4.01Å; L19-L23 WeakPolarHBondContact O-CB 3.31Å; L19-L23 VanDerWaalsContact O-CG 3.23Å; L19-L23 WeakPolarHBondContact O-CG 3.15Å; L19-L23 PolarHBondContact O-N 3.27Å; I20-L23 PolarHBondContact O-N 2.92Å; F21-L23 VanDerWaalsContact C-N 3.32Å; F21-L23 PolarHBondContact O-N 3.41Å
24L56Low71.3Confident128 Ų128106.4 Ų106.467%0.6752%0.523SS*.Hα-helixtrans-79.9-29.3178.2-70.2172.8000112.9I20 F21I20-L24 HydrophobicContact CG2-CD1 3.38Å; I20-L24 HydrophobicContact CG2-CG 4.04Å; I20-L24 WeakPolarHBondContact O-CB 3.13Å; I20-L24 WeakPolarHBondContact O-CG 3.39Å; I20-L24 PolarHBondContact O-N 2.82Å; F21-L24 PolarHBondContact O-N 3.09Å
25F54.6Low73Confident140 Ų140109 Ų10961%0.61453%0.532SS*.SBendtrans-117.315.3-177.9-62.1-85.7000113.8F21 K27F21-F25 HydrophobicContact CB-CD2 4.38Å; F21-F25 AromaticContact CD1-CD2 3.26Å; F21-F25 HydrophobicContact CD1-CD2 3.26Å; F21-F25 AromaticContact CD1-CE2 3.39Å; F21-F25 HydrophobicContact CD1-CE2 3.39Å; F21-F25 HydrophobicContact CD1-CG 4.26Å; F21-F25 HydrophobicContact CD1-CZ 4.45Å; F21-F25 AromaticContact CE1-CD2 3.64Å; F21-F25 HydrophobicContact CE1-CD2 3.64Å; F21-F25 AromaticContact CE1-CE2 3.25Å; F21-F25 HydrophobicContact CE1-CE2 3.25Å; F21-F25 AromaticContact CE1-CZ 3.98Å; F21-F25 HydrophobicContact CE1-CZ 3.98Å; F21-F25 HydrophobicContact CE2-CE2 4.48Å; F21-F25 AromaticContact CG-CD2 3.95Å; F21-F25 HydrophobicContact CG-CD2 3.95Å; F21-F25 HydrophobicContact CG-CE2 4.09Å; F21-F25 AromaticContact CZ-CE2 3.85Å; F21-F25 HydrophobicContact CZ-CE2 3.85Å; F21-F25 WeakPolarHBondContact O-CA 3.46Å; F21-F25 WeakPolarHBondContact O-CB 3.44Å; F21-F25 WeakPolarHBondContact O-CD2 3.31Å; F21-F25 PolarHBondContact O-N 2.74Å; F25-K27 VanDerWaalsContact C-N 3.31Å; F25-K27 PolarHBondContact O-N 2.84Å
26S53.1Low74.5Confident84 Ų84108.4 Ų108.459%0.58752%0.523SS*.  trans-64.698.6162.4178.70000106.8R22 K28R22-S26 WeakPolarHBondContact O-CA 3.46Å; R22-S26 WeakPolarHBondContact O-CB 3.42Å; R22-S26 PolarHBondContact O-N 3.31Å; S26-K28 VanDerWaalsContact C-N 3.34Å; S26-K28 PolarHBondContact O-N 2.88Å
27K58.9Low75.6Confident199 Ų199107.4 Ų107.487%0.86552%0.523SS*.  trans-55.4104.2168.2-81.2-174.6176.3-178.80106.3F25 R29F25-K27 VanDerWaalsContact C-N 3.31Å; F25-K27 PolarHBondContact O-N 2.84Å; K27-R29 PolarHBondContact O-N 3.46Å; K27-R29 VanDerWaalsContact O-N 3.09Å
28K71.1Confident76.8Confident196 Ų196107.5 Ų107.585%0.85253%0.531SS*.PPolyproline II helixtrans-51.4123.6170.5-77.2-172.4177.5-178.90106.4S26S26-K28 VanDerWaalsContact C-N 3.34Å; S26-K28 PolarHBondContact O-N 2.88Å
29R83.8Confident78.5Confident234 Ų234106.6 Ų106.688%0.88353%0.525SS*.PPolyproline II helixtrans-54.8134.1173.5-69.5-176.5179.5180-1.3107.2K27K27-R29 PolarHBondContact O-N 3.46Å; K27-R29 VanDerWaalsContact O-N 3.09Å
30P90.8Very high80Confident55 Ų55106.6 Ų106.636%0.35752%0.52SS..PPolyproline II helixtrans-59.2149.5178.626.3-33.4000109.5E66 V68P30-E66 WeakPolarHBondContact CB-O 3.46Å; P30-V68 HydrophobicContact CB-CG1 3.79Å; P30-V68 HydrophobicContact CB-CG2 4.1Å; P30-V68 HydrophobicContact CG-CB 4.47Å; P30-V68 HydrophobicContact CG-CG1 3.78Å; P30-V68 HydrophobicContact CG-CG2 3.84Å
31A96.2Very high81.6Confident46 Ų46104.6 Ų104.638%0.3851%0.508SS..PPolyproline II helixtrans-66.7141172.200000109.3H67 V68A31-H67 WeakPolarHBondContact CB-NE2 3.49Å; A31-H67 CarbonylContact O-C 3.56Å; A31-H67 VanDerWaalsContact O-CA 3.27Å; A31-H67 WeakPolarHBondContact O-CA 3.43Å; A31-V68 PolarHBondContact O-N 3.45Å
32I97.9Very high83.5Confident79 Ų79102.1 Ų102.141%0.40551%0.509SS..BIsolated β-bridgetrans-99.8135.3-177.6-72172000108.5E35 V68I32-E35 WeakPolarHBondContact O-CG 3.22Å; I32-V68 HydrophobicContact CG1-CG2 4.09Å
33T98.4Very high85.4Confident3 Ų393.3 Ų93.32%0.01848%0.476CS..SBendtrans-77-47.6178-55.40000111.6E35 Y41 L43 L62 P63 V68 L69T33-E35 VanDerWaalsContact C-N 3.34Å; T33-E35 PolarHBondContact O-N 3.46Å; T33-E35 VanDerWaalsContact O-N 3.13Å; T33-Y41 HydrophobicContact CG2-CD1 4.44Å; T33-Y41 HydrophobicContact CG2-CG 4.46Å; T33-Y41 WeakPolarHBondContact O-CD1 3.41Å; T33-Y41 WeakPolarHBondContact O-CE1 3.5Å; T33-L43 HydrophobicContact CG2-CD2 4.14Å; T33-L62 HydrophobicContact CG2-CD2 4.3Å; T33-P63 HydrophobicContact CG2-CG 3.93Å; T33-P63 VanDerWaalsContact OG1-CD 3.26Å; T33-P63 WeakPolarHBondContact OG1-CD 3.46Å; T33-V68 WeakPolarHBondContact CB-O 3.31Å; T33-V68 PolarHBondContact N-O 3.24Å; T33-V68 PolarHBondContact OG1-O 2.77Å; T33-L69 PolarHBondContact N-O 3.34Å
34L98.1Very high87.3Confident7 Ų793.7 Ų93.74%0.03747%0.468CS..  trans-88.466.3-176.1-62.7179.2000111.7Y41 L69 I77 G142L34-Y41 HydrophobicContact CD2-CD2 3.68Å; L34-Y41 HydrophobicContact CD2-CE2 4.03Å; L34-Y41 HydrophobicContact CD2-CG 4.45Å; L34-L69 WeakPolarHBondContact CB-O 3.13Å; L34-L69 HydrophobicContact CD1-CD1 3.83Å; L34-L69 HydrophobicContact CD1-CD2 4.38Å; L34-L69 HydrophobicContact CD1-CG 3.76Å; L34-L69 HydrophobicContact CG-CD1 3.9Å; L34-L69 HydrophobicContact CG-CG 4.21Å; L34-L69 WeakPolarHBondContact CG-O 3.37Å; L34-L69 PolarHBondContact N-O 3.07Å; L34-I77 HydrophobicContact CD1-CG2 3.58Å; L34-G142 WeakPolarHBondContact CB-O 3.18Å
35E96.8Very high89.3Confident152 Ų15287.6 Ų87.671%0.7144%0.436SS*.SBendtrans-70.1-35.1-178.5-61.2-176.7-159.300113I32 T33 Y41I32-E35 WeakPolarHBondContact O-CG 3.22Å; T33-E35 VanDerWaalsContact C-N 3.34Å; T33-E35 PolarHBondContact O-N 3.46Å; T33-E35 VanDerWaalsContact O-N 3.13Å; E35-Y41 PolarHBondContact N-OH 2.91Å
36D96.3Very high91.4Very high62 Ų6284.1 Ų84.133%0.33242%0.423SS..  trans-130.3121.1-179.9-176.3-29.4000110.8S38 I39 Y41D36-S38 VanDerWaalsContact CG-OG 3.28Å; D36-S38 PolarHBondContact O-N 2.99Å; D36-S38 VanDerWaalsContact O-N 3.11Å; D36-S38 WeakPolarHBondContact OD1-CA 3.34Å; D36-S38 VanDerWaalsContact OD1-CB 3.26Å; D36-S38 WeakPolarHBondContact OD1-CB 3.4Å; D36-S38 PolarHBondContact OD1-N 2.82Å; D36-S38 PolarHBondContact OD1-OG 3.28Å; D36-S38 PolarHBondContact OD2-OG 2.76Å; D36-I39 HydrophobicContact CB-CB 4.13Å; D36-I39 HydrophobicContact CB-CD1 3.68Å; D36-I39 HydrophobicContact CB-CG1 3.74Å; D36-I39 PolarHBondContact O-N 2.78Å; D36-Y41 PolarHBondContact N-OH 3.4Å; D36-Y41 VanDerWaalsContact N-OH 3.13Å
37P95.1Very high93.6Very high75 Ų7582.7 Ų82.749%0.48741%0.409SS..THydrogen-bonded Turntrans-69.3-7.3-17830.8-36.8000115R141 G142P37-R141 VanDerWaalsContact O-CD 3.29Å; P37-R141 WeakPolarHBondContact O-CD 3.21Å; P37-R141 WeakPolarHBondContact O-CG 3.37Å; P37-G142 VanDerWaalsContact CA-O 3.23Å; P37-G142 WeakPolarHBondContact CA-O 3.36Å
38S94.6Very high95.5Very high80 Ų8076.6 Ų76.656%0.55938%0.383SS*.THydrogen-bonded Turntrans-91.5-22.6172.676.50000113.1D36D36-S38 VanDerWaalsContact CG-OG 3.28Å; D36-S38 PolarHBondContact O-N 2.99Å; D36-S38 VanDerWaalsContact O-N 3.11Å; D36-S38 WeakPolarHBondContact OD1-CA 3.34Å; D36-S38 VanDerWaalsContact OD1-CB 3.26Å; D36-S38 WeakPolarHBondContact OD1-CB 3.4Å; D36-S38 PolarHBondContact OD1-N 2.82Å; D36-S38 PolarHBondContact OD1-OG 3.28Å; D36-S38 PolarHBondContact OD2-OG 2.76Å
39I97.8Very high96.7Very high80 Ų8071 Ų7141%0.4136%0.359SS..SBendtrans-82.2146.9-177.5-64.2-178000110.8D36 Y41 R141D36-I39 HydrophobicContact CB-CB 4.13Å; D36-I39 HydrophobicContact CB-CD1 3.68Å; D36-I39 HydrophobicContact CB-CG1 3.74Å; D36-I39 PolarHBondContact O-N 2.78Å; I39-Y41 HydrophobicContact CB-CE2 3.9Å; I39-Y41 HydrophobicContact CG2-CD2 4.32Å; I39-Y41 HydrophobicContact CG2-CE1 4.08Å; I39-Y41 HydrophobicContact CG2-CE2 3.82Å; I39-R141 WeakPolarHBondContact O-CG 3.41Å
40K98.3Very high97.3Very high99 Ų9966.1 Ų66.143%0.4335%0.349SS..  trans-101.5133.3173-63.3-176.4179-167.80110.3S80 D139 F140K40-S80 WeakPolarHBondContact CE-OG 3.2Å; K40-S80 PolarHBondContact NZ-OG 3.1Å; K40-S80 VanDerWaalsContact NZ-OG 3.08Å; K40-D139 HydrophobicContact CB-CB 4.18Å; K40-D139 HydrophobicContact CD-CB 4.04Å; K40-D139 WeakPolarHBondContact CD-OD2 3.14Å; K40-D139 HydrophobicContact CG-CB 4.45Å; K40-D139 IonicContact NZ-OD2 3.92Å; K40-F140 CarbonylContact C-O 3.58Å; K40-F140 WeakPolarHBondContact CA-O 3.47Å
41Y98.6Very high97.2Very high43 Ų4366.9 Ų66.917%0.16935%0.353CS..EExtended strand (participates in β ladder)trans-115.6111.6179.6-58.7-91.3000108.5T33 L34 E35 D36 I39 L43 F140T33-Y41 HydrophobicContact CG2-CD1 4.44Å; T33-Y41 HydrophobicContact CG2-CG 4.46Å; T33-Y41 WeakPolarHBondContact O-CD1 3.41Å; T33-Y41 WeakPolarHBondContact O-CE1 3.5Å; L34-Y41 HydrophobicContact CD2-CD2 3.68Å; L34-Y41 HydrophobicContact CD2-CE2 4.03Å; L34-Y41 HydrophobicContact CD2-CG 4.45Å; E35-Y41 PolarHBondContact N-OH 2.91Å; D36-Y41 PolarHBondContact N-OH 3.4Å; D36-Y41 VanDerWaalsContact N-OH 3.13Å; I39-Y41 HydrophobicContact CB-CE2 3.9Å; I39-Y41 HydrophobicContact CG2-CD2 4.32Å; I39-Y41 HydrophobicContact CG2-CE1 4.08Å; I39-Y41 HydrophobicContact CG2-CE2 3.82Å; Y41-L43 PolarHBondContact O-N 2.83Å; Y41-F140 PolarHBondContact N-O 3.01Å; Y41-F140 PolarHBondContact O-N 2.83Å
42A98.6Very high96.9Very high62 Ų6266.2 Ų66.251%0.51235%0.345SS..EExtended strand (participates in β ladder)trans-75.9104.7177.800000109.6I138A42-I138 WeakPolarHBondContact CA-O 3.36Å
43L98.9Very high96.5Very high6 Ų667.6 Ų67.63%0.03135%0.35CS..EExtended strand (participates in β ladder)trans-101140.1-179.9-55.2-173000110.7T33 Y41 F60 L62 V104 T137 I138 F140T33-L43 HydrophobicContact CG2-CD2 4.14Å; Y41-L43 PolarHBondContact O-N 2.83Å; L43-F60 HydrophobicContact CB-CB 3.93Å; L43-F60 HydrophobicContact CB-CD1 4.48Å; L43-L62 HydrophobicContact CD1-CD2 3.98Å; L43-V104 HydrophobicContact CD1-CG1 3.97Å; L43-T137 VanDerWaalsContact O-CA 3.23Å; L43-T137 WeakPolarHBondContact O-CA 3.41Å; L43-I138 PolarHBondContact N-O 3.48Å; L43-I138 PolarHBondContact O-N 3.04Å; L43-F140 HydrophobicContact CB-CD2 3.7Å; L43-F140 HydrophobicContact CB-CE2 3.77Å; L43-F140 HydrophobicContact CD1-CB 4.13Å; L43-F140 HydrophobicContact CD1-CD1 3.92Å; L43-F140 HydrophobicContact CD1-CD2 3.65Å; L43-F140 HydrophobicContact CD1-CE1 4.2Å; L43-F140 HydrophobicContact CD1-CE2 3.95Å; L43-F140 HydrophobicContact CD1-CG 3.63Å; L43-F140 HydrophobicContact CD1-CZ 4.22Å; L43-F140 HydrophobicContact CG-CB 4.27Å; L43-F140 HydrophobicContact CG-CD2 3.66Å; L43-F140 HydrophobicContact CG-CE2 4.15Å; L43-F140 HydrophobicContact CG-CG 4Å
44R98.8Very high96.2Very high137 Ų13768.3 Ų68.352%0.51735%0.354SS..EExtended strand (participates in β ladder)trans-90.3127.5-173.3-176.4169.265.2119.51.3111.2I46 F60 A61 G135 D136 T137R44-I46 HydrophobicContact CG-CG2 4.45Å; R44-I46 PolarHBondContact O-N 3.26Å; R44-F60 CarbonylContact O-C 3.57Å; R44-F60 VanDerWaalsContact O-CA 3.22Å; R44-F60 WeakPolarHBondContact O-CA 3.28Å; R44-A61 PolarHBondContact O-N 3.2Å; R44-G135 WeakPolarHBondContact CG-O 3.34Å; R44-D136 CarbonylContact C-O 3.6Å; R44-D136 WeakPolarHBondContact CA-O 3.42Å; R44-T137 HydrophobicContact CB-CG2 4.11Å
45L98.9Very high96Very high0 Ų068 Ų680%035%0.352CS..EExtended strand (participates in β ladder)trans-66.3119.4171.7-177.865.5000109.4D47 F58 F60 L132 L134 G135 D136L45-D47 WeakPolarHBondContact CD1-O 3.43Å; L45-F58 HydrophobicContact CD1-CB 3.99Å; L45-F58 HydrophobicContact CD1-CD1 3.82Å; L45-F58 HydrophobicContact CD1-CG 4.42Å; L45-F58 HydrophobicContact CD2-CD1 4.31Å; L45-F60 HydrophobicContact CB-CD1 4.07Å; L45-F60 HydrophobicContact CB-CE1 3.85Å; L45-F60 HydrophobicContact CD1-CD1 4.38Å; L45-F60 HydrophobicContact CD1-CE1 4Å; L45-F60 HydrophobicContact CD1-CE2 4.31Å; L45-F60 HydrophobicContact CD1-CZ 3.97Å; L45-L132 HydrophobicContact CD2-CB 3.74Å; L45-L134 HydrophobicContact CD2-CD2 4.44Å; L45-L134 HydrophobicContact CG-CD2 4.18Å; L45-G135 PolarHBondContact O-N 3.36Å; L45-D136 PolarHBondContact N-O 2.98Å
46I98.8Very high96Very high67 Ų6761.7 Ų61.734%0.34432%0.322SS..EExtended strand (participates in β ladder)trans-115.1-20.1-178.957.3165.5000113.5R44 R59 A61R44-I46 HydrophobicContact CG-CG2 4.45Å; R44-I46 PolarHBondContact O-N 3.26Å; I46-R59 HydrophobicContact CD1-CG 3.95Å; I46-R59 HydrophobicContact CG1-CB 4.26Å; I46-R59 HydrophobicContact CG1-CG 3.85Å; I46-R59 VanDerWaalsContact CG1-O 3.31Å; I46-R59 WeakPolarHBondContact CG1-O 3.29Å; I46-R59 PolarHBondContact N-O 3.14Å; I46-A61 HydrophobicContact CD1-CB 4.05Å; I46-A61 HydrophobicContact CG1-CB 4.39Å; I46-A61 HydrophobicContact CG2-CB 3.71Å
47D98.8Very high96.1Very high55 Ų5561.1 Ų61.129%0.29432%0.316SS..EExtended strand (participates in β ladder)trans-148.9148.7172.6-172.925.7000111.1L45 Q49 R59L45-D47 WeakPolarHBondContact CD1-O 3.43Å; D47-Q49 WeakPolarHBondContact OD2-CG 3.49Å; D47-Q49 PolarHBondContact OD2-NE2 3.16Å; D47-R59 HydrophobicContact CB-CB 3.87Å; D47-R59 PolarHBondContact N-O 3.42Å; D47-R59 PolarHBondContact O-N 2.86Å
48K98.6Very high96.3Very high71 Ų7157.5 Ų57.531%0.30929%0.293SS..EExtended strand (participates in β ladder)trans-141.9108.2176.7-177.5171.272.3-174.70109.2K57 F58 E130 L132K48-K57 WeakPolarHBondContact CA-O 3.35Å; K48-F58 HydrophobicContact CB-CD1 4.47Å; K48-F58 HydrophobicContact CD-CD1 3.93Å; K48-F58 HydrophobicContact CD-CE1 3.35Å; K48-F58 HydrophobicContact CD-CZ 4.1Å; K48-F58 HydrophobicContact CG-CD1 3.98Å; K48-F58 HydrophobicContact CG-CE1 3.82Å; K48-E130 PolarHBondContact NZ-O 3.44Å; K48-L132 PolarHBondContact NZ-O 2.96Å
49Q97.4Very high96.5Very high77 Ų7756.8 Ų56.836%0.3628%0.278SS..EExtended strand (participates in β ladder)trans-103.7137.5-178.6-56.8-178.8-300110.7D47 V51 R56 K57D47-Q49 WeakPolarHBondContact OD2-CG 3.49Å; D47-Q49 PolarHBondContact OD2-NE2 3.16Å; Q49-V51 PolarHBondContact O-N 3.45Å; Q49-R56 CarbonylContact O-C 3.57Å; Q49-R56 VanDerWaalsContact O-CA 3.24Å; Q49-R56 WeakPolarHBondContact O-CA 3.43Å; Q49-K57 HydrophobicContact CB-CB 4.31Å; Q49-K57 PolarHBondContact N-O 3.38Å; Q49-K57 PolarHBondContact O-N 2.82Å
50I95.6Very high96.5Very high132 Ų13253 Ų5368%0.67726%0.259SS*.EExtended strand (participates in β ladder)trans-80.4115.6170.7-61.2176000107.6S52I50-S52 WeakPolarHBondContact CG2-O 3.21Å
51V89.9Confident96.6Very high72 Ų7249.2 Ų49.244%0.43625%0.246SC..EExtended strand (participates in β ladder)trans-91.9-42.7177.2177.60000110.1Q49 T55 K57Q49-V51 PolarHBondContact O-N 3.45Å; V51-T55 HydrophobicContact CB-CG2 3.87Å; V51-T55 HydrophobicContact CG1-CG2 4.09Å; V51-T55 HydrophobicContact CG2-CG2 4.38Å; V51-T55 PolarHBondContact N-O 3Å; V51-K57 HydrophobicContact CG2-CB 3.95Å
52S88.3Confident96.6Very high31 Ų3147.7 Ų47.722%0.21724%0.241CC..EExtended strand (participates in β ladder)trans-151-177175.881.20000110.3I50 D54 T55 R56I50-S52 WeakPolarHBondContact CG2-O 3.21Å; S52-D54 PolarHBondContact O-N 3.08Å; S52-D54 VanDerWaalsContact O-N 3.07Å; S52-D54 PolarHBondContact OG-N 3.07Å; S52-D54 PolarHBondContact OG-OD1 3.15Å; S52-T55 PolarHBondContact N-O 3.03Å; S52-T55 PolarHBondContact O-N 3.4Å; S52-T55 VanDerWaalsContact OG-CB 3.27Å; S52-T55 WeakPolarHBondContact OG-CB 3.4Å; S52-T55 PolarHBondContact OG-N 3.26Å; S52-T55 PolarHBondContact OG-OG1 3.47Å; S52-R56 PolarHBondContact O-NH1 3.14Å
53H90.1Very high96.6Very high108 Ų10848.6 Ų48.650%0.524%0.241SC..THydrogen-bonded Turntrans-49.9-35.7177.671.9-66000113.6
54D92.6Very high96.5Very high19 Ų1950.2 Ų50.210%0.10225%0.253CS..THydrogen-bonded Turntrans-12815.5-178.470.2-0.8000113.7S52 K109 I110 F112S52-D54 PolarHBondContact O-N 3.08Å; S52-D54 VanDerWaalsContact O-N 3.07Å; S52-D54 PolarHBondContact OG-N 3.07Å; S52-D54 PolarHBondContact OG-OD1 3.15Å; D54-K109 VanDerWaalsContact CG-CE 3.44Å; D54-K109 CarbonylContact O-C 3.59Å; D54-K109 WeakPolarHBondContact O-CA 3.07Å; D54-K109 WeakPolarHBondContact OD2-CE 3.3Å; D54-K109 IonicContact OD2-NZ 3.61Å; D54-I110 PolarHBondContact O-N 3Å; D54-F112 HydrophobicContact CB-CD2 4.39Å; D54-F112 HydrophobicContact CB-CE2 4.11Å
55T93.7Very high96.5Very high0 Ų048.6 Ų48.60%026%0.26CS..EExtended strand (participates in β ladder)trans-124.1140.4178.9-57.40000111.2V51 S52 V107 V108 L215V51-T55 HydrophobicContact CB-CG2 3.87Å; V51-T55 HydrophobicContact CG1-CG2 4.09Å; V51-T55 HydrophobicContact CG2-CG2 4.38Å; V51-T55 PolarHBondContact N-O 3Å; S52-T55 PolarHBondContact N-O 3.03Å; S52-T55 PolarHBondContact O-N 3.4Å; S52-T55 VanDerWaalsContact OG-CB 3.27Å; S52-T55 WeakPolarHBondContact OG-CB 3.4Å; S52-T55 PolarHBondContact OG-N 3.26Å; S52-T55 PolarHBondContact OG-OG1 3.47Å; T55-V107 HydrophobicContact CG2-CG1 3.76Å; T55-V108 WeakPolarHBondContact CA-O 3.39Å; T55-L215 HydrophobicContact CG2-CD2 3.63Å; T55-L215 WeakPolarHBondContact OG1-CD2 3.27Å
56R97.2Very high96.4Very high19 Ų1953.9 Ų53.97%0.07229%0.285CS..EExtended strand (participates in β ladder)trans-128.8149.3176.9-54.6-65176.7-95.7-1.2110.6Q49 S52 F58 V107 V108 I110 E130Q49-R56 CarbonylContact O-C 3.57Å; Q49-R56 VanDerWaalsContact O-CA 3.24Å; Q49-R56 WeakPolarHBondContact O-CA 3.43Å; S52-R56 PolarHBondContact O-NH1 3.14Å; R56-F58 HydrophobicContact CB-CD2 3.95Å; R56-F58 HydrophobicContact CB-CE2 3.4Å; R56-F58 HydrophobicContact CB-CZ 3.74Å; R56-F58 HydrophobicContact CG-CE2 4.07Å; R56-F58 HydrophobicContact CG-CZ 3.99Å; R56-V107 WeakPolarHBondContact O-CA 3.32Å; R56-V108 PolarHBondContact N-O 3.11Å; R56-V108 PolarHBondContact O-N 3.28Å; R56-I110 HydrophobicContact CG-CD1 3.97Å; R56-I110 HydrophobicContact CG-CG1 3.8Å; R56-E130 WeakPolarHBondContact CG-OE2 3.34Å; R56-E130 IonicContact CZ-OE1 3.62Å; R56-E130 IonicContact NE-OE1 3.45Å; R56-E130 PolarHBondContact NE-OE1 3.11Å; R56-E130 IonicContact NE-OE2 2.84Å; R56-E130 PolarHBondContact NE-OE2 3.41Å; R56-E130 VanDerWaalsContact NE-OE2 3.09Å; R56-E130 IonicContact NH2-OE1 2.69Å; R56-E130 PolarHBondContact NH2-OE1 3.07Å
57K97.9Very high96.4Very high50 Ų5052.2 Ų52.222%0.21728%0.276CS..EExtended strand (participates in β ladder)trans-104.1118.8161-171.7176.769-172.50108.3K48 Q49 V51 D105 L106 V107K48-K57 WeakPolarHBondContact CA-O 3.35Å; Q49-K57 HydrophobicContact CB-CB 4.31Å; Q49-K57 PolarHBondContact N-O 3.38Å; Q49-K57 PolarHBondContact O-N 2.82Å; V51-K57 HydrophobicContact CG2-CB 3.95Å; K57-D105 HydrophobicContact CD-CB 4.42Å; K57-D105 HydrophobicContact CG-CB 4.35Å; K57-L106 CarbonylContact C-O 3.5Å; K57-L106 WeakPolarHBondContact CA-O 3.32Å; K57-V107 HydrophobicContact CB-CG2 4.34Å; K57-V107 HydrophobicContact CG-CG2 4.12Å
58F98.8Very high96.4Very high0 Ų049.9 Ų49.90%026%0.263CS..EExtended strand (participates in β ladder)trans-103.9125.3176.7-63.7-90.9000109.2L45 K48 R56 F60 D105 L106 V108 I110 L129L45-F58 HydrophobicContact CD1-CB 3.99Å; L45-F58 HydrophobicContact CD1-CD1 3.82Å; L45-F58 HydrophobicContact CD1-CG 4.42Å; L45-F58 HydrophobicContact CD2-CD1 4.31Å; K48-F58 HydrophobicContact CB-CD1 4.47Å; K48-F58 HydrophobicContact CD-CD1 3.93Å; K48-F58 HydrophobicContact CD-CE1 3.35Å; K48-F58 HydrophobicContact CD-CZ 4.1Å; K48-F58 HydrophobicContact CG-CD1 3.98Å; K48-F58 HydrophobicContact CG-CE1 3.82Å; R56-F58 HydrophobicContact CB-CD2 3.95Å; R56-F58 HydrophobicContact CB-CE2 3.4Å; R56-F58 HydrophobicContact CB-CZ 3.74Å; R56-F58 HydrophobicContact CG-CE2 4.07Å; R56-F58 HydrophobicContact CG-CZ 3.99Å; F58-F60 HydrophobicContact CB-CD2 4.31Å; F58-F60 HydrophobicContact CB-CE2 3.51Å; F58-F60 HydrophobicContact CB-CZ 4.06Å; F58-F60 HydrophobicContact CG-CE2 4.46Å; F58-D105 WeakPolarHBondContact O-CA 3.42Å; F58-L106 PolarHBondContact N-O 3.1Å; F58-L106 PolarHBondContact O-N 3.1Å; F58-V108 HydrophobicContact CD2-CB 4.12Å; F58-V108 HydrophobicContact CD2-CG2 3.97Å; F58-V108 HydrophobicContact CE2-CB 3.91Å; F58-V108 HydrophobicContact CE2-CG2 4.21Å; F58-I110 HydrophobicContact CE2-CD1 4.12Å; F58-I110 HydrophobicContact CZ-CD1 4.2Å; F58-L129 HydrophobicContact CE1-CB 4.13Å; F58-L129 WeakPolarHBondContact CE1-O 3.23Å; F58-L129 HydrophobicContact CE2-CB 4.08Å; F58-L129 HydrophobicContact CZ-CB 3.76Å
59R98.9Very high96.4Very high65 Ų6546.7 Ų46.725%0.24525%0.25CC..EExtended strand (participates in β ladder)trans-106.9123.5174.7-174.9166.1-74.5-165.5-7.1110.5I46 D47 F103 V104 D105I46-R59 HydrophobicContact CD1-CG 3.95Å; I46-R59 HydrophobicContact CG1-CB 4.26Å; I46-R59 HydrophobicContact CG1-CG 3.85Å; I46-R59 VanDerWaalsContact CG1-O 3.31Å; I46-R59 WeakPolarHBondContact CG1-O 3.29Å; I46-R59 PolarHBondContact N-O 3.14Å; D47-R59 HydrophobicContact CB-CB 3.87Å; D47-R59 PolarHBondContact N-O 3.42Å; D47-R59 PolarHBondContact O-N 2.86Å; R59-F103 HydrophobicContact CG-CB 3.74Å; R59-F103 HydrophobicContact CG-CD2 3.93Å; R59-F103 HydrophobicContact CG-CG 4.07Å; R59-F103 VanDerWaalsContact CZ-CE2 3.44Å; R59-V104 WeakPolarHBondContact CA-O 3.35Å; R59-D105 WeakPolarHBondContact CA-OD1 3.43Å; R59-D105 WeakPolarHBondContact CB-OD1 2.77Å; R59-D105 WeakPolarHBondContact CG-OD1 3.4Å; R59-D105 IonicContact CZ-OD1 3.37Å; R59-D105 IonicContact CZ-OD2 2.64Å; R59-D105 IonicContact NE-OD1 3.51Å; R59-D105 PolarHBondContact NE-OD1 2.64Å; R59-D105 IonicContact NE-OD2 2.78Å; R59-D105 PolarHBondContact NE-OD2 2.75Å; R59-D105 IonicContact NH2-OD1 3.04Å; R59-D105 IonicContact NH2-OD2 2.75Å; R59-D105 PolarHBondContact NH2-OD2 2.81Å
60F98.9Very high96.4Very high0 Ų043.5 Ų43.50%024%0.237CC..EExtended strand (participates in β ladder)trans-109.7137.7175.6-59.6-97.2000110.6L43 R44 L45 F58 F103 V104 L106 L129 L132 I138 F140L43-F60 HydrophobicContact CB-CB 3.93Å; L43-F60 HydrophobicContact CB-CD1 4.48Å; R44-F60 CarbonylContact O-C 3.57Å; R44-F60 VanDerWaalsContact O-CA 3.22Å; R44-F60 WeakPolarHBondContact O-CA 3.28Å; L45-F60 HydrophobicContact CB-CD1 4.07Å; L45-F60 HydrophobicContact CB-CE1 3.85Å; L45-F60 HydrophobicContact CD1-CD1 4.38Å; L45-F60 HydrophobicContact CD1-CE1 4Å; L45-F60 HydrophobicContact CD1-CE2 4.31Å; L45-F60 HydrophobicContact CD1-CZ 3.97Å; F58-F60 HydrophobicContact CB-CD2 4.31Å; F58-F60 HydrophobicContact CB-CE2 3.51Å; F58-F60 HydrophobicContact CB-CZ 4.06Å; F58-F60 HydrophobicContact CG-CE2 4.46Å; F60-F103 CarbonylContact O-C 3.5Å; F60-F103 WeakPolarHBondContact O-CA 3.45Å; F60-F103 WeakPolarHBondContact O-CB 3.16Å; F60-V104 HydrophobicContact CB-CG1 3.85Å; F60-V104 PolarHBondContact N-O 3.34Å; F60-V104 PolarHBondContact O-N 3.43Å; F60-L106 HydrophobicContact CE2-CD1 4.01Å; F60-L106 HydrophobicContact CE2-CG 4.37Å; F60-L129 HydrophobicContact CZ-CD2 4.27Å; F60-L132 HydrophobicContact CE1-CD1 4.49Å; F60-I138 HydrophobicContact CD1-CG2 4.1Å; F60-I138 HydrophobicContact CE1-CG2 3.47Å; F60-I138 VanDerWaalsContact CE1-CG2 3.47Å; F60-I138 HydrophobicContact CZ-CG2 3.91Å; F60-F140 HydrophobicContact CB-CE2 4.26Å; F60-F140 HydrophobicContact CB-CZ 4.15Å; F60-F140 AromaticContact CD1-CE2 3.92Å; F60-F140 HydrophobicContact CD1-CE2 3.92Å; F60-F140 HydrophobicContact CD1-CZ 4.27Å; F60-F140 HydrophobicContact CD2-CE2 4.09Å; F60-F140 AromaticContact CD2-CZ 3.58Å; F60-F140 HydrophobicContact CD2-CZ 3.58Å; F60-F140 HydrophobicContact CE1-CE2 4.28Å; F60-F140 HydrophobicContact CE2-CE2 4.41Å; F60-F140 AromaticContact CE2-CZ 3.98Å; F60-F140 HydrophobicContact CE2-CZ 3.98Å; F60-F140 AromaticContact CG-CE2 3.83Å; F60-F140 HydrophobicContact CG-CE2 3.83Å; F60-F140 AromaticContact CG-CZ 3.74Å; F60-F140 HydrophobicContact CG-CZ 3.74Å; F60-F140 HydrophobicContact CZ-CZ 4.49Å
61A98.9Very high96.5Very high20 Ų2037.7 Ų37.717%0.16521%0.207CC..EExtended strand (participates in β ladder)trans-72134.7174.500000110.7R44 I46R44-A61 PolarHBondContact O-N 3.2Å; I46-A61 HydrophobicContact CD1-CB 4.05Å; I46-A61 HydrophobicContact CG1-CB 4.39Å; I46-A61 HydrophobicContact CG2-CB 3.71Å
62L98.8Very high96.9Very high11 Ų1136.6 Ų36.66%0.05820%0.202CC..  trans-78.4169.2165.8-59.3-178.3000110.3T33 L43 S64 H67 V68 L69 G102 V104T33-L62 HydrophobicContact CG2-CD2 4.3Å; L43-L62 HydrophobicContact CD1-CD2 3.98Å; L62-S64 PolarHBondContact O-N 3.43Å; L62-S64 VanDerWaalsContact O-N 3.09Å; L62-H67 HydrophobicContact CB-CB 3.84Å; L62-H67 HydrophobicContact CD1-CB 4.23Å; L62-H67 WeakPolarHBondContact CD1-O 3.11Å; L62-V68 VanDerWaalsContact CD1-C 3.43Å; L62-L69 HydrophobicContact CD2-CD1 3.95Å; L62-G102 PolarHBondContact N-O 2.87Å; L62-V104 HydrophobicContact CD2-CB 4.32Å; L62-V104 HydrophobicContact CD2-CG1 4.11Å
63P98.5Very high97.4Very high81 Ų8137 Ų3753%0.52620%0.201SC..SBendtrans-57.5-27.8-174.1-27.836.3000115T33T33-P63 HydrophobicContact CG2-CG 3.93Å; T33-P63 VanDerWaalsContact OG1-CD 3.26Å; T33-P63 WeakPolarHBondContact OG1-CD 3.46Å
64S98.1Very high97.8Very high40 Ų4031.9 Ų31.928%0.2818%0.178SC..SBendtrans-148.2164.1168.688.70000111.5L62 E66 H67 G102L62-S64 PolarHBondContact O-N 3.43Å; L62-S64 VanDerWaalsContact O-N 3.09Å; S64-E66 PolarHBondContact O-N 2.69Å; S64-E66 PolarHBondContact OG-N 3.45Å; S64-H67 WeakPolarHBondContact CB-ND1 3.27Å; S64-H67 PolarHBondContact N-ND1 3.32Å; S64-H67 WeakPolarHBondContact O-CB 3.26Å; S64-H67 PolarHBondContact O-N 3.19Å; S64-H67 PolarHBondContact OG-ND1 3.22Å; S64-G102 WeakPolarHBondContact O-CA 3.49Å
65P97.6Very high98.1Very high103 Ų10332.1 Ų32.167%0.66918%0.178SC*.THydrogen-bonded Turntrans-58.4-17.1176-25.535.6000115.1K101 G102P65-K101 CarbonylContact O-C 3.55Å; P65-K101 WeakPolarHBondContact O-CB 3.29Å; P65-G102 PolarHBondContact O-N 2.98Å
66E97.1Very high98.3Very high111 Ų11133 Ų3352%0.51918%0.182SC..THydrogen-bonded Turntrans-100.3-5.1179.3-65.6-58.7142.800113.4P30 S64 K101P30-E66 WeakPolarHBondContact CB-O 3.46Å; S64-E66 PolarHBondContact O-N 2.69Å; S64-E66 PolarHBondContact OG-N 3.45Å; E66-K101 IonicContact OE2-NZ 3.09Å; E66-K101 PolarHBondContact OE2-NZ 2.93Å
67H98.4Very high98.4Very high32 Ų3232 Ų3215%0.14818%0.179CC..  trans-71.6151.3175-80.667.3000110.9A31 L62 S64 K101 G102A31-H67 WeakPolarHBondContact CB-NE2 3.49Å; A31-H67 CarbonylContact O-C 3.56Å; A31-H67 VanDerWaalsContact O-CA 3.27Å; A31-H67 WeakPolarHBondContact O-CA 3.43Å; L62-H67 HydrophobicContact CB-CB 3.84Å; L62-H67 HydrophobicContact CD1-CB 4.23Å; L62-H67 WeakPolarHBondContact CD1-O 3.11Å; S64-H67 WeakPolarHBondContact CB-ND1 3.27Å; S64-H67 PolarHBondContact N-ND1 3.32Å; S64-H67 WeakPolarHBondContact O-CB 3.26Å; S64-H67 PolarHBondContact O-N 3.19Å; S64-H67 PolarHBondContact OG-ND1 3.22Å; H67-K101 CarbonylContact O-C 3.51Å; H67-K101 WeakPolarHBondContact O-CA 3.36Å; H67-G102 PolarHBondContact O-N 3.06Å
68V98.6Very high98.4Very high5 Ų532.3 Ų32.33%0.0318%0.179CC..BIsolated β-bridgetrans-112.6167161.2-61.10000108.8P30 A31 I32 T33 L62 D98 K101P30-V68 HydrophobicContact CB-CG1 3.79Å; P30-V68 HydrophobicContact CB-CG2 4.1Å; P30-V68 HydrophobicContact CG-CB 4.47Å; P30-V68 HydrophobicContact CG-CG1 3.78Å; P30-V68 HydrophobicContact CG-CG2 3.84Å; A31-V68 PolarHBondContact O-N 3.45Å; I32-V68 HydrophobicContact CG1-CG2 4.09Å; T33-V68 WeakPolarHBondContact CB-O 3.31Å; T33-V68 PolarHBondContact N-O 3.24Å; T33-V68 PolarHBondContact OG1-O 2.77Å; L62-V68 VanDerWaalsContact CD1-C 3.43Å; V68-D98 HydrophobicContact CB-CB 4.08Å; V68-D98 WeakPolarHBondContact CG1-O 3.27Å; V68-D98 HydrophobicContact CG2-CB 4.29Å; V68-K101 HydrophobicContact CG1-CG 4.25Å
69L98.6Very high98.4Very high5 Ų532.3 Ų32.33%0.02618%0.179CC..  trans-69.9-41.6-177.9-174.763.8000111T33 L34 L62 L71 I77 P94 D98 V104T33-L69 PolarHBondContact N-O 3.34Å; L34-L69 WeakPolarHBondContact CB-O 3.13Å; L34-L69 HydrophobicContact CD1-CD1 3.83Å; L34-L69 HydrophobicContact CD1-CD2 4.38Å; L34-L69 HydrophobicContact CD1-CG 3.76Å; L34-L69 HydrophobicContact CG-CD1 3.9Å; L34-L69 HydrophobicContact CG-CG 4.21Å; L34-L69 WeakPolarHBondContact CG-O 3.37Å; L34-L69 PolarHBondContact N-O 3.07Å; L62-L69 HydrophobicContact CD2-CD1 3.95Å; L69-L71 HydrophobicContact CD2-CB 3.9Å; L69-L71 HydrophobicContact CD2-CD2 4.04Å; L69-L71 HydrophobicContact CG-CB 4.26Å; L69-I77 HydrophobicContact CD2-CG2 4.25Å; L69-P94 HydrophobicContact CD2-CG 3.84Å; L69-D98 PolarHBondContact N-OD1 2.87Å; L69-V104 HydrophobicContact CD1-CB 4.46Å; L69-V104 HydrophobicContact CD2-CB 4.33Å; L69-V104 HydrophobicContact CD2-CG2 3.72Å
70G98.1Very high98.4Very high9 Ų929.6 Ų29.69%0.09317%0.17CC..  trans82.949-171.500000111.9D98G70-D98 WeakPolarHBondContact CA-OD2 3.31Å; G70-D98 PolarHBondContact N-OD1 3.33Å; G70-D98 PolarHBondContact N-OD2 3.38Å
71L98.5Very high98.4Very high10 Ų1030 Ų305%0.05217%0.173CC..  trans-113.1106.2-176.8-174.864.2000110.7L69 Q75 I77 P94 D98 P143L69-L71 HydrophobicContact CD2-CB 3.9Å; L69-L71 HydrophobicContact CD2-CD2 4.04Å; L69-L71 HydrophobicContact CG-CB 4.26Å; L71-Q75 HydrophobicContact CD1-CB 3.86Å; L71-I77 HydrophobicContact CD1-CG2 4.2Å; L71-I77 HydrophobicContact CD2-CG2 4.46Å; L71-P94 HydrophobicContact CD2-CB 4.47Å; L71-P94 HydrophobicContact CD2-CG 3.64Å; L71-D98 PolarHBondContact N-OD1 3Å; L71-D98 PolarHBondContact N-OD2 3.29Å; L71-P143 HydrophobicContact CD1-CB 3.53Å
72P98.3Very high98.3Very high49 Ų4936.7 Ų36.732%0.31820%0.198SC..  trans-56.3140.5172.6-24.835000111.8G74 Q75 P143 T148P72-G74 PolarHBondContact O-N 3.46Å; P72-Q75 HydrophobicContact CB-CG 4.25Å; P72-Q75 WeakPolarHBondContact O-CB 3.49Å; P72-Q75 PolarHBondContact O-N 2.86Å; P72-P143 HydrophobicContact CG-CG 4.41Å; P72-T148 HydrophobicContact CB-CG2 3.92Å
73I98.6Very high98.2Very high39 Ų3937.1 Ų37.120%0.220%0.201CC..THydrogen-bonded Turntrans-62.1129.8178.8-53.3-56.1000109.2T148 Y149 Q187 L188 A191I73-T148 CarbonylContact O-C 3.49Å; I73-T148 VanDerWaalsContact O-CA 3.31Å; I73-T148 WeakPolarHBondContact O-CA 3.47Å; I73-Y149 HydrophobicContact CG2-CD1 4.27Å; I73-Y149 PolarHBondContact O-N 2.69Å; I73-Q187 HydrophobicContact CD1-CG 4.26Å; I73-Q187 HydrophobicContact CG2-CG 4.37Å; I73-L188 HydrophobicContact CG2-CD2 3.75Å; I73-L188 HydrophobicContact CG2-CG 4.42Å; I73-A191 HydrophobicContact CD1-CB 4.2Å; I73-A191 HydrophobicContact CG1-CB 4.06Å; I73-A191 HydrophobicContact CG2-CB 3.8Å
74G97.9Very high98Very high2 Ų241 Ų412%0.02122%0.217CC..THydrogen-bonded Turntrans96.8-5-172.800000114.3P72 L147 F299P72-G74 PolarHBondContact O-N 3.46Å; G74-L147 CarbonylContact C-O 3.6Å; G74-L147 VanDerWaalsContact C-O 3.22Å; G74-L147 VanDerWaalsContact O-O 3.05Å; G74-F299 WeakPolarHBondContact O-CE1 3.17Å
75Q98.6Very high97.8Very high23 Ų2341.7 Ų41.711%0.10723%0.23CC..  trans-107.7163176.9-61.5-165.5-16.800112.2L71 P72 P143 S144 T148 Q187L71-Q75 HydrophobicContact CD1-CB 3.86Å; P72-Q75 HydrophobicContact CB-CG 4.25Å; P72-Q75 WeakPolarHBondContact O-CB 3.49Å; P72-Q75 PolarHBondContact O-N 2.86Å; Q75-P143 HydrophobicContact CB-CB 4.4Å; Q75-P143 VanDerWaalsContact OE1-CB 3.24Å; Q75-S144 WeakPolarHBondContact CA-O 3.48Å; Q75-S144 WeakPolarHBondContact CB-O 3.44Å; Q75-T148 PolarHBondContact NE2-OG1 2.96Å; Q75-Q187 PolarHBondContact O-NE2 3.06Å; Q75-Q187 PolarHBondContact O-OE1 3.21Å
76H98.8Very high97.8Very high18 Ų1842.1 Ų42.18%0.08322%0.224CC..EExtended strand (participates in β ladder)trans-127170.5179.460.7-95.8000111.8Y78 P91 Y92 T93 S144H76-Y78 AromaticContact NE2-CE2 3.72Å; H76-Y78 AromaticContact NE2-CZ 3.46Å; H76-Y78 PolarHBondContact NE2-OH 3.29Å; H76-P91 VanDerWaalsContact CD2-CB 3.5Å; H76-P91 WeakPolarHBondContact CD2-CB 3.41Å; H76-Y92 WeakPolarHBondContact CB-O 3.23Å; H76-T93 WeakPolarHBondContact CB-OG1 3.43Å; H76-S144 PolarHBondContact CE1-O 2.99Å; H76-S144 PolarHBondContact N-O 3.1Å; H76-S144 PolarHBondContact ND1-O 3.33Å; H76-S144 PolarHBondContact O-N 3.35Å
77I98.8Very high97.8Very high0 Ų042.5 Ų42.50%023%0.229CC..EExtended strand (participates in β ladder)trans-106.8162.9170.360.374000110.4L34 L69 L71 L79 P91 Y92 P94 F140 R141L34-I77 HydrophobicContact CD1-CG2 3.58Å; L69-I77 HydrophobicContact CD2-CG2 4.25Å; L71-I77 HydrophobicContact CD1-CG2 4.2Å; L71-I77 HydrophobicContact CD2-CG2 4.46Å; I77-L79 HydrophobicContact CD1-CD2 3.63Å; I77-L79 HydrophobicContact CD1-CG 3.78Å; I77-P91 CarbonylContact O-C 3.51Å; I77-P91 VanDerWaalsContact O-CA 3.24Å; I77-P91 WeakPolarHBondContact O-CA 3.48Å; I77-Y92 WeakPolarHBondContact CG1-O 3.23Å; I77-Y92 PolarHBondContact N-O 2.94Å; I77-Y92 PolarHBondContact O-N 3.24Å; I77-P94 HydrophobicContact CG1-CG 4.27Å; I77-F140 HydrophobicContact CB-CD1 4.4Å; I77-F140 HydrophobicContact CD1-CD1 3.82Å; I77-F140 HydrophobicContact CD1-CE1 3.93Å; I77-F140 HydrophobicContact CG1-CD1 3.86Å; I77-F140 HydrophobicContact CG1-CE1 4.1Å; I77-R141 CarbonylContact C-O 3.55Å; I77-R141 WeakPolarHBondContact CA-O 3.41Å
78Y98.8Very high97.8Very high55 Ų5541.3 Ų41.322%0.21622%0.223CC..EExtended strand (participates in β ladder)trans-107.7130.7166.5-71.2-77.5000109.8H76 V89 R90 P91 F140 R141H76-Y78 AromaticContact NE2-CE2 3.72Å; H76-Y78 AromaticContact NE2-CZ 3.46Å; H76-Y78 PolarHBondContact NE2-OH 3.29Å; Y78-V89 HydrophobicContact CD1-CG1 3.76Å; Y78-V89 HydrophobicContact CG-CG1 4.09Å; Y78-R90 WeakPolarHBondContact CA-O 3.29Å; Y78-P91 HydrophobicContact CD1-CB 4.11Å; Y78-P91 HydrophobicContact CE1-CB 3.84Å; Y78-P91 HydrophobicContact CE1-CG 4.38Å; Y78-F140 CarbonylContact O-C 3.48Å; Y78-R141 PolarHBondContact N-O 2.84Å; Y78-R141 PolarHBondContact O-N 3.47Å
79L98.8Very high97.8Very high0 Ų043.4 Ų43.40%024%0.236CC..EExtended strand (participates in β ladder)trans-91.4137.8162.8-60.3-176.6000109.4I77 V89 R90 Y92 L106 M125 L129 I138 D139 F140I77-L79 HydrophobicContact CD1-CD2 3.63Å; I77-L79 HydrophobicContact CD1-CG 3.78Å; L79-V89 CarbonylContact O-C 3.58Å; L79-V89 VanDerWaalsContact O-CA 3.28Å; L79-V89 WeakPolarHBondContact O-CA 3.45Å; L79-R90 PolarHBondContact N-O 2.95Å; L79-R90 PolarHBondContact O-N 3.4Å; L79-Y92 HydrophobicContact CB-CD2 4.09Å; L79-Y92 HydrophobicContact CB-CE2 4.08Å; L79-Y92 HydrophobicContact CD1-CD2 3.51Å; L79-Y92 HydrophobicContact CD1-CE2 3.58Å; L79-Y92 HydrophobicContact CD1-CG 4.25Å; L79-Y92 HydrophobicContact CG-CD2 3.61Å; L79-Y92 HydrophobicContact CG-CE2 3.96Å; L79-L106 HydrophobicContact CD1-CD1 3.69Å; L79-L106 HydrophobicContact CD2-CD1 4.38Å; L79-L106 HydrophobicContact CG-CD1 4.38Å; L79-M125 HydrophobicContact CB-CE 4.28Å; L79-M125 HydrophobicContact CB-SD 4.45Å; L79-L129 HydrophobicContact CD1-CD1 4.05Å; L79-L129 HydrophobicContact CD1-CD2 3.97Å; L79-I138 HydrophobicContact CB-CD1 3.94Å; L79-I138 HydrophobicContact CD1-CD1 4.09Å; L79-I138 HydrophobicContact CD2-CG2 4.18Å; L79-I138 HydrophobicContact CG-CD1 4.41Å; L79-D139 WeakPolarHBondContact CA-O 3.31Å; L79-F140 HydrophobicContact CD2-CD1 3.79Å; L79-F140 HydrophobicContact CD2-CD2 3.6Å; L79-F140 HydrophobicContact CD2-CE1 3.7Å; L79-F140 HydrophobicContact CD2-CE2 3.51Å; L79-F140 HydrophobicContact CD2-CG 3.74Å; L79-F140 HydrophobicContact CD2-CZ 3.56Å
80S98.6Very high97.8Very high8 Ų848.7 Ų48.76%0.05626%0.256CS..EExtended strand (participates in β ladder)trans-129.2136.4172.576.70000112.5K40 V88 D139K40-S80 WeakPolarHBondContact CE-OG 3.2Å; K40-S80 PolarHBondContact NZ-OG 3.1Å; K40-S80 VanDerWaalsContact NZ-OG 3.08Å; S80-V88 WeakPolarHBondContact CA-O 3.35Å; S80-D139 PolarHBondContact N-O 3.1Å; S80-D139 WeakPolarHBondContact OG-CB 3.41Å
81A98.1Very high97.8Very high8 Ų851.5 Ų51.57%0.06627%0.273CS..EExtended strand (participates in β ladder)trans-149.9152.3177.400000110.9I83 V88 M125 Y128 I138A81-I83 HydrophobicContact CB-CD1 4.48Å; A81-I83 HydrophobicContact CB-CG1 4.14Å; A81-V88 PolarHBondContact N-O 3.4Å; A81-V88 PolarHBondContact O-N 3.04Å; A81-M125 HydrophobicContact CB-CE 4.12Å; A81-M125 HydrophobicContact CB-SD 4.46Å; A81-Y128 HydrophobicContact CB-CD1 3.81Å; A81-Y128 HydrophobicContact CB-CE1 3.34Å; A81-Y128 HydrophobicContact CB-CE2 4.42Å; A81-Y128 HydrophobicContact CB-CG 4.5Å; A81-I138 HydrophobicContact CB-CD1 4.43Å
82K97.6Very high97.8Very high161 Ų16152.8 Ų52.870%0.728%0.277SS*.EExtended strand (participates in β ladder)trans-89.7105.6171.3-168.8173.7-179176.40108.9G85 Q86K82-G85 VanDerWaalsContact CE-O 3.23Å; K82-G85 WeakPolarHBondContact CE-O 3.36Å; K82-Q86 CarbonylContact C-O 3.52Å; K82-Q86 WeakPolarHBondContact CA-O 3.19Å
83I96.6Very high97.8Very high21 Ų2151 Ų5111%0.10827%0.265CS..EExtended strand (participates in β ladder)trans-112.5117.2-176.5-53.3174.1000107.6A81 G85 Q86 V88 K124 M125 Y128A81-I83 HydrophobicContact CB-CD1 4.48Å; A81-I83 HydrophobicContact CB-CG1 4.14Å; I83-G85 VanDerWaalsContact C-N 3.26Å; I83-G85 PolarHBondContact O-N 3.43Å; I83-Q86 PolarHBondContact N-O 3.41Å; I83-Q86 PolarHBondContact O-N 3.05Å; I83-V88 HydrophobicContact CB-CG2 4.05Å; I83-V88 HydrophobicContact CD1-CB 3.85Å; I83-V88 HydrophobicContact CD1-CG1 4.23Å; I83-V88 HydrophobicContact CD1-CG2 3.92Å; I83-V88 HydrophobicContact CG1-CB 4.37Å; I83-V88 HydrophobicContact CG1-CG2 4.2Å; I83-K124 HydrophobicContact CD1-CB 4.38Å; I83-M125 HydrophobicContact CD1-CE 4.49Å; I83-M125 HydrophobicContact CD1-SD 4.37Å; I83-Y128 HydrophobicContact CD1-CD1 4.34Å; I83-Y128 HydrophobicContact CD1-CD2 4.34Å; I83-Y128 HydrophobicContact CD1-CG 3.83Å; I83-Y128 HydrophobicContact CG1-CD2 3.97Å; I83-Y128 HydrophobicContact CG1-CG 3.95Å
84N93.8Very high97.8Very high161 Ų16149.1 Ų49.186%0.86126%0.256SS*.THydrogen-bonded Turntrans50.745-176-59-19000112.8Q86N84-Q86 PolarHBondContact O-N 3.26Å
85G94.3Very high97.8Very high55 Ų5551.1 Ų51.157%0.56727%0.267SS*.THydrogen-bonded Turntrans81.6-14.5179.900000115.5K82 I83K82-G85 VanDerWaalsContact CE-O 3.23Å; K82-G85 WeakPolarHBondContact CE-O 3.36Å; I83-G85 VanDerWaalsContact C-N 3.26Å; I83-G85 PolarHBondContact O-N 3.43Å
86Q96.4Very high97.8Very high113 Ų11350.5 Ų50.553%0.52827%0.265SS..EExtended strand (participates in β ladder)trans-99.1136.7-177.8-63.6-177-18.200111.8K82 I83 N84 V88K82-Q86 CarbonylContact C-O 3.52Å; K82-Q86 WeakPolarHBondContact CA-O 3.19Å; I83-Q86 PolarHBondContact N-O 3.41Å; I83-Q86 PolarHBondContact O-N 3.05Å; N84-Q86 PolarHBondContact O-N 3.26Å; Q86-V88 PolarHBondContact O-N 2.64Å
87L97.8Very high97.7Very high119 Ų11951.1 Ų51.162%0.62327%0.272SS*.EExtended strand (participates in β ladder)trans-71118.3169.3-179.564000109.4V89L87-V89 HydrophobicContact CD1-CG2 4.41Å; L87-V89 HydrophobicContact CD2-CG2 4.33Å; L87-V89 HydrophobicContact CG-CG2 4.05Å
88V98.4Very high97.6Very high6 Ų653.9 Ų53.94%0.03629%0.287CS..EExtended strand (participates in β ladder)trans-111.3126.3174.9-177.90000108.2S80 A81 I83 Q86 R90 K124 M125S80-V88 WeakPolarHBondContact CA-O 3.35Å; A81-V88 PolarHBondContact N-O 3.4Å; A81-V88 PolarHBondContact O-N 3.04Å; I83-V88 HydrophobicContact CB-CG2 4.05Å; I83-V88 HydrophobicContact CD1-CB 3.85Å; I83-V88 HydrophobicContact CD1-CG1 4.23Å; I83-V88 HydrophobicContact CD1-CG2 3.92Å; I83-V88 HydrophobicContact CG1-CB 4.37Å; I83-V88 HydrophobicContact CG1-CG2 4.2Å; Q86-V88 PolarHBondContact O-N 2.64Å; V88-R90 HydrophobicContact CG1-CG 4.25Å; V88-K124 HydrophobicContact CG1-CB 4.32Å; V88-K124 HydrophobicContact CG2-CB 4.38Å; V88-K124 HydrophobicContact CG2-CD 4.09Å; V88-M125 HydrophobicContact CB-CE 4.27Å; V88-M125 HydrophobicContact CG1-CB 4.22Å; V88-M125 HydrophobicContact CG1-CE 4.09Å; V88-M125 VanDerWaalsContact O-CE 3.25Å; V88-M125 WeakPolarHBondContact O-CE 3.46Å
89V98.4Very high97.5Very high49 Ų4956 Ų5630%0.29730%0.302SS..EExtended strand (participates in β ladder)trans-122.6128.9177.8-172.20000108.9Y78 L79 L87Y78-V89 HydrophobicContact CD1-CG1 3.76Å; Y78-V89 HydrophobicContact CG-CG1 4.09Å; L79-V89 CarbonylContact O-C 3.58Å; L79-V89 VanDerWaalsContact O-CA 3.28Å; L79-V89 WeakPolarHBondContact O-CA 3.45Å; L87-V89 HydrophobicContact CD1-CG2 4.41Å; L87-V89 HydrophobicContact CD2-CG2 4.33Å; L87-V89 HydrophobicContact CG-CG2 4.05Å
90R98.4Very high97.4Very high116 Ų11658.7 Ų58.744%0.43832%0.316SS..EExtended strand (participates in β ladder)trans-138.9138.9-179.8-69-63.3-179.5-90.85.1111.7Y78 L79 V88 Y92 M125Y78-R90 WeakPolarHBondContact CA-O 3.29Å; L79-R90 PolarHBondContact N-O 2.95Å; L79-R90 PolarHBondContact O-N 3.4Å; V88-R90 HydrophobicContact CG1-CG 4.25Å; R90-Y92 HydrophobicContact CB-CD2 4.43Å; R90-Y92 HydrophobicContact CB-CE2 3.67Å; R90-M125 HydrophobicContact CB-CB 4.24Å; R90-M125 HydrophobicContact CB-CG 4.15Å; R90-M125 HydrophobicContact CG-CB 3.69Å; R90-M125 HydrophobicContact CG-CG 4.14Å
91P98.4Very high97.4Very high69 Ų6963.2 Ų63.245%0.44834%0.335SS..EExtended strand (participates in β ladder)trans-75.4145.5174.232.4-33.7000110.8H76 I77 Y78H76-P91 VanDerWaalsContact CD2-CB 3.5Å; H76-P91 WeakPolarHBondContact CD2-CB 3.41Å; I77-P91 CarbonylContact O-C 3.51Å; I77-P91 VanDerWaalsContact O-CA 3.24Å; I77-P91 WeakPolarHBondContact O-CA 3.48Å; Y78-P91 HydrophobicContact CD1-CB 4.11Å; Y78-P91 HydrophobicContact CE1-CB 3.84Å; Y78-P91 HydrophobicContact CE1-CG 4.38Å
92Y98.7Very high97.4Very high36 Ų3663.5 Ų63.514%0.14134%0.338CS..EExtended strand (participates in β ladder)trans-142.6132.8168.9-66.5-90.3000108.9H76 I77 L79 R90 P94 L106 V108 M125 L129H76-Y92 WeakPolarHBondContact CB-O 3.23Å; I77-Y92 WeakPolarHBondContact CG1-O 3.23Å; I77-Y92 PolarHBondContact N-O 2.94Å; I77-Y92 PolarHBondContact O-N 3.24Å; L79-Y92 HydrophobicContact CB-CD2 4.09Å; L79-Y92 HydrophobicContact CB-CE2 4.08Å; L79-Y92 HydrophobicContact CD1-CD2 3.51Å; L79-Y92 HydrophobicContact CD1-CE2 3.58Å; L79-Y92 HydrophobicContact CD1-CG 4.25Å; L79-Y92 HydrophobicContact CG-CD2 3.61Å; L79-Y92 HydrophobicContact CG-CE2 3.96Å; R90-Y92 HydrophobicContact CB-CD2 4.43Å; R90-Y92 HydrophobicContact CB-CE2 3.67Å; Y92-P94 WeakPolarHBondContact O-CD 3.24Å; Y92-L106 HydrophobicContact CG-CD1 4.44Å; Y92-V108 HydrophobicContact CD1-CG2 3.88Å; Y92-V108 HydrophobicContact CE1-CB 4.41Å; Y92-V108 HydrophobicContact CE1-CG1 3.86Å; Y92-V108 HydrophobicContact CE1-CG2 3.71Å; Y92-M125 HydrophobicContact CE2-CG 3.92Å; Y92-M125 WeakPolarHBondContact OH-CG 3.38Å; Y92-L129 HydrophobicContact CE1-CD1 4.3Å; Y92-L129 HydrophobicContact CE2-CD1 4.42Å
93T98.7Very high97.5Very high11 Ų1157.6 Ų57.67%0.06731%0.312CS..  trans-92.8117.1167.7-52.40000108.4H76 T183 Q187H76-T93 WeakPolarHBondContact CB-OG1 3.43Å; T93-T183 WeakPolarHBondContact O-CB 3.5Å; T93-T183 PolarHBondContact O-OG1 2.93Å; T93-Q187 HydrophobicContact CG2-CB 4.1Å; T93-Q187 HydrophobicContact CG2-CG 4.41Å
94P98.5Very high97.6Very high1 Ų156.6 Ų56.61%0.00631%0.307CS..  trans-57.8151.3172.6-23.334.4000112.7L69 L71 I77 Y92 V104 D105 L106L69-P94 HydrophobicContact CD2-CG 3.84Å; L71-P94 HydrophobicContact CD2-CB 4.47Å; L71-P94 HydrophobicContact CD2-CG 3.64Å; I77-P94 HydrophobicContact CG1-CG 4.27Å; Y92-P94 WeakPolarHBondContact O-CD 3.24Å; P94-V104 HydrophobicContact CB-CG2 3.66Å; P94-V104 HydrophobicContact CG-CG2 3.72Å; P94-D105 VanDerWaalsContact CA-O 3.29Å; P94-D105 WeakPolarHBondContact CA-O 3.27Å; P94-D105 WeakPolarHBondContact CB-O 3.26Å; P94-L106 HydrophobicContact CB-CD2 3.96Å; P94-L106 HydrophobicContact CG-CD2 3.79Å
95V97.4Very high97.8Very high43 Ų4349.4 Ų49.426%0.26127%0.269SS..SBendtrans-95.7-11.2172.2-620000112.5D105 V107 T183 L186 L216V95-D105 HydrophobicContact CG2-CB 3.79Å; V95-D105 PolarHBondContact N-O 3.19Å; V95-V107 HydrophobicContact CB-CG2 4.39Å; V95-V107 HydrophobicContact CG1-CB 4.1Å; V95-V107 HydrophobicContact CG1-CG2 3.87Å; V95-V107 HydrophobicContact CG2-CG2 3.67Å; V95-T183 HydrophobicContact CG1-CG2 3.87Å; V95-L186 HydrophobicContact CG1-CD2 4.28Å; V95-L216 HydrophobicContact CG1-CD1 4.1Å
96S97.9Very high98Very high10 Ų1046.9 Ų46.97%0.0724%0.242CC..SBendtrans-82.6161.8165.457.50000111.4D100 V104 D105S96-D100 VanDerWaalsContact CA-OD2 3.24Å; S96-D100 WeakPolarHBondContact CA-OD2 3.5Å; S96-D100 VanDerWaalsContact CB-OD2 3.23Å; S96-D100 WeakPolarHBondContact CB-OD2 3.27Å; S96-V104 WeakPolarHBondContact OG-CA 3.49Å; S96-D105 PolarHBondContact OG-N 2.98Å
97S97.2Very high98.1Very high31 Ų3142.1 Ų42.122%0.21722%0.221CC..  trans-120.2179.4175.775.50000112.2D99 D100S97-D99 PolarHBondContact O-N 3.49Å; S97-D99 VanDerWaalsContact O-N 3.1Å; S97-D99 VanDerWaalsContact OG-CB 3.31Å; S97-D99 WeakPolarHBondContact OG-CB 3.17Å; S97-D99 PolarHBondContact OG-N 2.9Å; S97-D99 VanDerWaalsContact OG-N 3.1Å; S97-D99 PolarHBondContact OG-OD2 2.82Å; S97-D100 PolarHBondContact N-OD2 2.91Å; S97-D100 WeakPolarHBondContact O-CB 3.26Å; S97-D100 PolarHBondContact O-N 2.87Å
98D97.2Very high98.1Very high59 Ų5936.6 Ų36.632%0.31619%0.192SC..THydrogen-bonded Turntrans-71.66.8171.1-74.8-14.9000113.6V68 L69 G70 L71V68-D98 HydrophobicContact CB-CB 4.08Å; V68-D98 WeakPolarHBondContact CG1-O 3.27Å; V68-D98 HydrophobicContact CG2-CB 4.29Å; L69-D98 PolarHBondContact N-OD1 2.87Å; G70-D98 WeakPolarHBondContact CA-OD2 3.31Å; G70-D98 PolarHBondContact N-OD1 3.33Å; G70-D98 PolarHBondContact N-OD2 3.38Å; L71-D98 PolarHBondContact N-OD1 3Å; L71-D98 PolarHBondContact N-OD2 3.29Å
99D95.4Very high97.9Very high99 Ų9937.2 Ų37.253%0.52920%0.195SC..THydrogen-bonded Turntrans-84.3-24.1164.2-55.8-77.1000112.2S97 K101 K194S97-D99 PolarHBondContact O-N 3.49Å; S97-D99 VanDerWaalsContact O-N 3.1Å; S97-D99 VanDerWaalsContact OG-CB 3.31Å; S97-D99 WeakPolarHBondContact OG-CB 3.17Å; S97-D99 PolarHBondContact OG-N 2.9Å; S97-D99 VanDerWaalsContact OG-N 3.1Å; S97-D99 PolarHBondContact OG-OD2 2.82Å; D99-K101 PolarHBondContact O-N 3.38Å; D99-K194 IonicContact OD1-NZ 3.42Å; D99-K194 PolarHBondContact OD1-NZ 2.67Å; D99-K194 IonicContact OD2-NZ 2.72Å; D99-K194 PolarHBondContact OD2-NZ 2.81Å
100D97.6Very high97.9Very high56 Ų5635 Ų3530%0.29918%0.181SC..SBendtrans-82.6112.7177.5-62.7-60.4000109.3S96 S97 F103S96-D100 VanDerWaalsContact CA-OD2 3.24Å; S96-D100 WeakPolarHBondContact CA-OD2 3.5Å; S96-D100 VanDerWaalsContact CB-OD2 3.23Å; S96-D100 WeakPolarHBondContact CB-OD2 3.27Å; S97-D100 PolarHBondContact N-OD2 2.91Å; S97-D100 WeakPolarHBondContact O-CB 3.26Å; S97-D100 PolarHBondContact O-N 2.87Å; D100-F103 HydrophobicContact CB-CE1 4.07Å; D100-F103 HydrophobicContact CB-CE2 4.01Å; D100-F103 HydrophobicContact CB-CZ 3.65Å
101K98.2Very high97.8Very high104 Ų10435 Ų3545%0.45218%0.182SC..  trans-91.7139.8179.9-65.9-177166.8-168.20111.8P65 E66 H67 V68 D99 F103P65-K101 CarbonylContact O-C 3.55Å; P65-K101 WeakPolarHBondContact O-CB 3.29Å; E66-K101 IonicContact OE2-NZ 3.09Å; E66-K101 PolarHBondContact OE2-NZ 2.93Å; H67-K101 CarbonylContact O-C 3.51Å; H67-K101 WeakPolarHBondContact O-CA 3.36Å; V68-K101 HydrophobicContact CG1-CG 4.25Å; D99-K101 PolarHBondContact O-N 3.38Å; K101-F103 VanDerWaalsContact C-N 3.28Å; K101-F103 VanDerWaalsContact O-CD1 3.31Å; K101-F103 WeakPolarHBondContact O-CD1 3.35Å; K101-F103 PolarHBondContact O-N 2.86Å
102G98.5Very high97.7Very high13 Ų1335 Ų3513%0.13418%0.175CC..SBendtrans82.2-7.117000000115.7L62 S64 P65 H67L62-G102 PolarHBondContact N-O 2.87Å; S64-G102 WeakPolarHBondContact O-CA 3.49Å; P65-G102 PolarHBondContact O-N 2.98Å; H67-G102 PolarHBondContact O-N 3.06Å
103F98.8Very high97.7Very high37 Ų3739.3 Ų39.316%0.16219%0.194CC..EExtended strand (participates in β ladder)trans-147.4165.6178.770.5-89000113.5R59 F60 D100 K101R59-F103 HydrophobicContact CG-CB 3.74Å; R59-F103 HydrophobicContact CG-CD2 3.93Å; R59-F103 HydrophobicContact CG-CG 4.07Å; R59-F103 VanDerWaalsContact CZ-CE2 3.44Å; F60-F103 CarbonylContact O-C 3.5Å; F60-F103 WeakPolarHBondContact O-CA 3.45Å; F60-F103 WeakPolarHBondContact O-CB 3.16Å; D100-F103 HydrophobicContact CB-CE1 4.07Å; D100-F103 HydrophobicContact CB-CE2 4.01Å; D100-F103 HydrophobicContact CB-CZ 3.65Å; K101-F103 VanDerWaalsContact C-N 3.28Å; K101-F103 VanDerWaalsContact O-CD1 3.31Å; K101-F103 WeakPolarHBondContact O-CD1 3.35Å; K101-F103 PolarHBondContact O-N 2.86Å
104V98.9Very high97.5Very high0 Ų045.1 Ų45.10%023%0.225CC..EExtended strand (participates in β ladder)trans-132133.1167.3560000109.6L43 R59 F60 L62 L69 P94 S96 L106 F140L43-V104 HydrophobicContact CD1-CG1 3.97Å; R59-V104 WeakPolarHBondContact CA-O 3.35Å; F60-V104 HydrophobicContact CB-CG1 3.85Å; F60-V104 PolarHBondContact N-O 3.34Å; F60-V104 PolarHBondContact O-N 3.43Å; L62-V104 HydrophobicContact CD2-CB 4.32Å; L62-V104 HydrophobicContact CD2-CG1 4.11Å; L69-V104 HydrophobicContact CD1-CB 4.46Å; L69-V104 HydrophobicContact CD2-CB 4.33Å; L69-V104 HydrophobicContact CD2-CG2 3.72Å; P94-V104 HydrophobicContact CB-CG2 3.66Å; P94-V104 HydrophobicContact CG-CG2 3.72Å; S96-V104 WeakPolarHBondContact OG-CA 3.49Å; V104-L106 HydrophobicContact CG2-CD2 4.38Å; V104-F140 HydrophobicContact CG1-CE1 3.91Å; V104-F140 HydrophobicContact CG1-CZ 4.11Å
105D98.8Very high97.3Very high11 Ų1150.3 Ų50.36%0.05926%0.257CS..EExtended strand (participates in β ladder)trans-105.5129.2178.1-80.3-8.4000111.8K57 F58 R59 P94 V95 S96K57-D105 HydrophobicContact CD-CB 4.42Å; K57-D105 HydrophobicContact CG-CB 4.35Å; F58-D105 WeakPolarHBondContact O-CA 3.42Å; R59-D105 WeakPolarHBondContact CA-OD1 3.43Å; R59-D105 WeakPolarHBondContact CB-OD1 2.77Å; R59-D105 WeakPolarHBondContact CG-OD1 3.4Å; R59-D105 IonicContact CZ-OD1 3.37Å; R59-D105 IonicContact CZ-OD2 2.64Å; R59-D105 IonicContact NE-OD1 3.51Å; R59-D105 PolarHBondContact NE-OD1 2.64Å; R59-D105 IonicContact NE-OD2 2.78Å; R59-D105 PolarHBondContact NE-OD2 2.75Å; R59-D105 IonicContact NH2-OD1 3.04Å; R59-D105 IonicContact NH2-OD2 2.75Å; R59-D105 PolarHBondContact NH2-OD2 2.81Å; P94-D105 VanDerWaalsContact CA-O 3.29Å; P94-D105 WeakPolarHBondContact CA-O 3.27Å; P94-D105 WeakPolarHBondContact CB-O 3.26Å; V95-D105 HydrophobicContact CG2-CB 3.79Å; V95-D105 PolarHBondContact N-O 3.19Å; S96-D105 PolarHBondContact OG-N 2.98Å
106L98.7Very high96.9Very high1 Ų151.6 Ų51.61%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-115.1127171.8-55.6-175000110K57 F58 F60 L79 Y92 P94 V104 V108 F140K57-L106 CarbonylContact C-O 3.5Å; K57-L106 WeakPolarHBondContact CA-O 3.32Å; F58-L106 PolarHBondContact N-O 3.1Å; F58-L106 PolarHBondContact O-N 3.1Å; F60-L106 HydrophobicContact CE2-CD1 4.01Å; F60-L106 HydrophobicContact CE2-CG 4.37Å; L79-L106 HydrophobicContact CD1-CD1 3.69Å; L79-L106 HydrophobicContact CD2-CD1 4.38Å; L79-L106 HydrophobicContact CG-CD1 4.38Å; Y92-L106 HydrophobicContact CG-CD1 4.44Å; P94-L106 HydrophobicContact CB-CD2 3.96Å; P94-L106 HydrophobicContact CG-CD2 3.79Å; V104-L106 HydrophobicContact CG2-CD2 4.38Å; L106-V108 HydrophobicContact CB-CG2 4.03Å; L106-F140 HydrophobicContact CD1-CE1 4.15Å; L106-F140 HydrophobicContact CD1-CZ 3.99Å
107V97.6Very high96.6Very high13 Ų1356.8 Ų56.88%0.07929%0.293CS..EExtended strand (participates in β ladder)trans-98.3119.4169.7175.20000108.4T55 R56 K57 V95 L216T55-V107 HydrophobicContact CG2-CG1 3.76Å; R56-V107 WeakPolarHBondContact O-CA 3.32Å; K57-V107 HydrophobicContact CB-CG2 4.34Å; K57-V107 HydrophobicContact CG-CG2 4.12Å; V95-V107 HydrophobicContact CB-CG2 4.39Å; V95-V107 HydrophobicContact CG1-CB 4.1Å; V95-V107 HydrophobicContact CG1-CG2 3.87Å; V95-V107 HydrophobicContact CG2-CG2 3.67Å; V107-L216 HydrophobicContact CB-CD1 4.46Å; V107-L216 HydrophobicContact CG1-CD1 4.32Å; V107-L216 HydrophobicContact CG1-CD2 4.2Å; V107-L216 HydrophobicContact CG1-CG 4.31Å; V107-L216 HydrophobicContact CG2-CD1 4.47Å; V107-L216 HydrophobicContact CG2-CD2 4.05Å
108V97.5Very high96.4Very high4 Ų463.3 Ų63.32%0.02432%0.317CS..EExtended strand (participates in β ladder)trans-131.4125.2-169.4-177.90000110.3T55 R56 F58 Y92 L106 I110 L129T55-V108 WeakPolarHBondContact CA-O 3.39Å; R56-V108 PolarHBondContact N-O 3.11Å; R56-V108 PolarHBondContact O-N 3.28Å; F58-V108 HydrophobicContact CD2-CB 4.12Å; F58-V108 HydrophobicContact CD2-CG2 3.97Å; F58-V108 HydrophobicContact CE2-CB 3.91Å; F58-V108 HydrophobicContact CE2-CG2 4.21Å; Y92-V108 HydrophobicContact CD1-CG2 3.88Å; Y92-V108 HydrophobicContact CE1-CB 4.41Å; Y92-V108 HydrophobicContact CE1-CG1 3.86Å; Y92-V108 HydrophobicContact CE1-CG2 3.71Å; L106-V108 HydrophobicContact CB-CG2 4.03Å; V108-I110 HydrophobicContact CG1-CD1 4.1Å; V108-L129 HydrophobicContact CG1-CD1 4.13Å; V108-L129 HydrophobicContact CG2-CD1 4.17Å
109K95.8Very high96.2Very high19 Ų1966.9 Ų66.98%0.08333%0.33CS..EExtended strand (participates in β ladder)trans-77126.1166.3-165.9169.4-168.1165.50110.2D54 Y111 S126 T180 D213D54-K109 VanDerWaalsContact CG-CE 3.44Å; D54-K109 CarbonylContact O-C 3.59Å; D54-K109 WeakPolarHBondContact O-CA 3.07Å; D54-K109 WeakPolarHBondContact OD2-CE 3.3Å; D54-K109 IonicContact OD2-NZ 3.61Å; K109-Y111 HydrophobicContact CD-CE1 4.41Å; K109-S126 WeakPolarHBondContact O-CB 3.29Å; K109-T180 HydrophobicContact CB-CG2 3.45Å; K109-T180 VanDerWaalsContact CB-CG2 3.45Å; K109-D213 IonicContact NZ-OD1 2.72Å; K109-D213 PolarHBondContact NZ-OD1 2.76Å
110I97.6Very high96.2Very high2 Ų265.1 Ų65.11%0.0132%0.324CS..  trans-90.2104.4-179.7-45.8-54.9000109.2D54 R56 F58 V108 F112 Q127 E130D54-I110 PolarHBondContact O-N 3Å; R56-I110 HydrophobicContact CG-CD1 3.97Å; R56-I110 HydrophobicContact CG-CG1 3.8Å; F58-I110 HydrophobicContact CE2-CD1 4.12Å; F58-I110 HydrophobicContact CZ-CD1 4.2Å; V108-I110 HydrophobicContact CG1-CD1 4.1Å; I110-F112 HydrophobicContact CB-CD2 4.37Å; I110-F112 HydrophobicContact CB-CE1 4.33Å; I110-F112 HydrophobicContact CB-CE2 3.9Å; I110-F112 HydrophobicContact CB-CZ 3.86Å; I110-F112 HydrophobicContact CG2-CD1 3.82Å; I110-F112 HydrophobicContact CG2-CD2 4.2Å; I110-F112 HydrophobicContact CG2-CE1 3.5Å; I110-F112 VanDerWaalsContact CG2-CE1 3.5Å; I110-F112 HydrophobicContact CG2-CE2 3.92Å; I110-F112 HydrophobicContact CG2-CG 4.16Å; I110-F112 HydrophobicContact CG2-CZ 3.54Å; I110-F112 WeakPolarHBondContact O-CD2 3.42Å; I110-F112 PolarHBondContact O-N 2.91Å; I110-Q127 HydrophobicContact CG2-CG 4.49Å; I110-E130 HydrophobicContact CD1-CB 4.17Å; I110-E130 HydrophobicContact CG1-CB 4.43Å; I110-E130 HydrophobicContact CG2-CB 4Å; I110-E130 HydrophobicContact CG2-CG 4.32Å
111Y96.1Very high96.2Very high115 Ų11569.7 Ų69.745%0.45134%0.344SS..  trans-78.588.3171.8-59.6-77.1000109.7K109 G122 G123 S126 Q127K109-Y111 HydrophobicContact CD-CE1 4.41Å; Y111-G122 CarbonylContact O-C 3.58Å; Y111-G122 VanDerWaalsContact O-CA 3.32Å; Y111-G122 WeakPolarHBondContact O-CA 3.5Å; Y111-G123 PolarHBondContact O-N 2.87Å; Y111-S126 PolarHBondContact N-OG 3.23Å; Y111-Q127 VanDerWaalsContact O-CG 3.32Å; Y111-Q127 WeakPolarHBondContact O-CG 3.3Å; Y111-Q127 PolarHBondContact O-NE2 2.94Å
112F97.4Very high96.1Very high71 Ų7165.8 Ų65.831%0.31133%0.333SS..  trans-67.3144178.3-66.3-72.5000112.2D54 I110 V115 E130D54-F112 HydrophobicContact CB-CD2 4.39Å; D54-F112 HydrophobicContact CB-CE2 4.11Å; I110-F112 HydrophobicContact CB-CD2 4.37Å; I110-F112 HydrophobicContact CB-CE1 4.33Å; I110-F112 HydrophobicContact CB-CE2 3.9Å; I110-F112 HydrophobicContact CB-CZ 3.86Å; I110-F112 HydrophobicContact CG2-CD1 3.82Å; I110-F112 HydrophobicContact CG2-CD2 4.2Å; I110-F112 HydrophobicContact CG2-CE1 3.5Å; I110-F112 VanDerWaalsContact CG2-CE1 3.5Å; I110-F112 HydrophobicContact CG2-CE2 3.92Å; I110-F112 HydrophobicContact CG2-CG 4.16Å; I110-F112 HydrophobicContact CG2-CZ 3.54Å; I110-F112 WeakPolarHBondContact O-CD2 3.42Å; I110-F112 PolarHBondContact O-N 2.91Å; F112-V115 HydrophobicContact CB-CG2 3.8Å; F112-E130 HydrophobicContact CE1-CG 4.23Å
113K97.3Very high96.1Very high126 Ų12666 Ų6655%0.54834%0.335SS..THydrogen-bonded Turntrans-60.5155.1167.867.6-177.9-177.5178.70111.5V115 P120K113-V115 PolarHBondContact O-N 3.37Å; K113-P120 CarbonylContact C-O 3.6Å; K113-P120 VanDerWaalsContact CA-O 3.27Å; K113-P120 WeakPolarHBondContact CA-O 3.18Å; K113-P120 WeakPolarHBondContact CB-O 3.5Å
114N96.1Very high96Very high132 Ų13269.2 Ų69.271%0.70635%0.349SS*.THydrogen-bonded Turntrans61.119.4178-53.9-34.4000115.3P120N114-P120 PolarHBondContact N-O 3.09Å
115V93.4Very high96Very high111 Ų11169.4 Ų69.467%0.67335%0.35SS*.THydrogen-bonded Turntrans-101.9-51.2176.4175.90000111.8F112 K113F112-V115 HydrophobicContact CB-CG2 3.8Å; K113-V115 PolarHBondContact O-N 3.37Å
116H89.5Confident96Very high70 Ų7069.1 Ų69.132%0.32435%0.349SS..BIsolated β-bridgetrans-101.5125.9-175.2-168.7-78.9000111.3K118 F119H116-K118 VanDerWaalsContact C-N 3.31Å; H116-K118 PolarHBondContact ND1-N 3.23Å; H116-K118 VanDerWaalsContact ND1-N 3.16Å; H116-K118 PolarHBondContact O-N 3.45Å; H116-F119 HydrophobicContact CB-CB 4.34Å; H116-F119 HydrophobicContact CB-CD2 4.39Å; H116-F119 AromaticContact CE1-CD2 3.75Å; H116-F119 AromaticContact CE1-CE2 3.91Å; H116-F119 AromaticContact CG-CD2 3.85Å; H116-F119 AromaticContact ND1-CD2 3.3Å; H116-F119 VanDerWaalsContact ND1-CD2 3.3Å; H116-F119 WeakPolarHBondContact ND1-CD2 3.39Å; H116-F119 AromaticContact ND1-CE2 3.94Å; H116-F119 CarbonylContact O-C 3.51Å; H116-F119 PolarHBondContact O-N 3.17Å
117P90.8Very high96Very high118 Ų11871.4 Ų71.477%0.76636%0.36SS*.THydrogen-bonded Turntrans-63-33.2-172.923.5-33.9000113.6F119P117-F119 VanDerWaalsContact C-N 3.32Å
118K92.4Very high96Very high168 Ų16873.7 Ų73.773%0.7337%0.367SS*.THydrogen-bonded Turntrans-78.2-14.7175.4-55.5-176.4178.1176.80114H116H116-K118 VanDerWaalsContact C-N 3.31Å; H116-K118 PolarHBondContact ND1-N 3.23Å; H116-K118 VanDerWaalsContact ND1-N 3.16Å; H116-K118 PolarHBondContact O-N 3.45Å
119F93.4Very high96.1Very high134 Ų13473.5 Ų73.559%0.58837%0.366SS*.BIsolated β-bridgetrans-135.162.1-174.9-53.7-65.1000110.3H116 P117 E121 G122H116-F119 HydrophobicContact CB-CB 4.34Å; H116-F119 HydrophobicContact CB-CD2 4.39Å; H116-F119 AromaticContact CE1-CD2 3.75Å; H116-F119 AromaticContact CE1-CE2 3.91Å; H116-F119 AromaticContact CG-CD2 3.85Å; H116-F119 AromaticContact ND1-CD2 3.3Å; H116-F119 VanDerWaalsContact ND1-CD2 3.3Å; H116-F119 WeakPolarHBondContact ND1-CD2 3.39Å; H116-F119 AromaticContact ND1-CE2 3.94Å; H116-F119 CarbonylContact O-C 3.51Å; H116-F119 PolarHBondContact O-N 3.17Å; P117-F119 VanDerWaalsContact C-N 3.32Å; F119-E121 PolarHBondContact O-N 3.01Å; F119-G122 PolarHBondContact O-N 3.15Å
120P96Very high96.2Very high63 Ų6374.7 Ų74.741%0.40937%0.372SS..THydrogen-bonded Turntrans-61.5-30.9-172.124.9-34.8000113.1K113 N114 G122K113-P120 CarbonylContact C-O 3.6Å; K113-P120 VanDerWaalsContact CA-O 3.27Å; K113-P120 WeakPolarHBondContact CA-O 3.18Å; K113-P120 WeakPolarHBondContact CB-O 3.5Å; N114-P120 PolarHBondContact N-O 3.09Å; P120-G122 VanDerWaalsContact C-N 3.28Å; P120-G122 PolarHBondContact O-N 3.33Å
121E97.1Very high96.3Very high151 Ų15178.2 Ų78.271%0.70640%0.397SS*.THydrogen-bonded Turntrans-78-9.7179.5-59.8-53.8121.300114.2F119 Q127F119-E121 PolarHBondContact O-N 3.01Å; E121-Q127 PolarHBondContact O-NE2 3.14Å
122G96.9Very high96.4Very high22 Ų2273.1 Ų73.123%0.22738%0.377CS..  trans65.3-161.8-174.200000113.8Y111 F119 P120Y111-G122 CarbonylContact O-C 3.58Å; Y111-G122 VanDerWaalsContact O-CA 3.32Å; Y111-G122 WeakPolarHBondContact O-CA 3.5Å; F119-G122 PolarHBondContact O-N 3.15Å; P120-G122 VanDerWaalsContact C-N 3.28Å; P120-G122 PolarHBondContact O-N 3.33Å
123G97.2Very high96.4Very high17 Ų1777.2 Ų77.218%0.17540%0.395CS..  trans-92.3125.5-178.900000111.8Y111 S126 Q127Y111-G123 PolarHBondContact O-N 2.87Å; G123-S126 PolarHBondContact O-OG 3.22Å; G123-Q127 VanDerWaalsContact O-CB 3.3Å; G123-Q127 WeakPolarHBondContact O-CB 3.42Å; G123-Q127 VanDerWaalsContact O-CG 3.29Å; G123-Q127 WeakPolarHBondContact O-CG 3.39Å; G123-Q127 PolarHBondContact O-N 2.78Å; G123-Q127 VanDerWaalsContact O-N 3.12Å; G123-Q127 PolarHBondContact O-NE2 3.23Å
124K98.2Very high96.5Very high105 Ų10576.6 Ų76.646%0.45740%0.397SS..Hα-helixtrans-58.4-60.6179.8-65.2-174177.6-176.60112.1I83 V88 Y128I83-K124 HydrophobicContact CD1-CB 4.38Å; V88-K124 HydrophobicContact CG1-CB 4.32Å; V88-K124 HydrophobicContact CG2-CB 4.38Å; V88-K124 HydrophobicContact CG2-CD 4.09Å; K124-Y128 WeakPolarHBondContact O-CB 3.28Å; K124-Y128 PolarHBondContact O-N 3.06Å; K124-Y128 VanDerWaalsContact O-N 3.1Å
125M98.6Very high96.6Very high4 Ų472 Ų722%0.0238%0.381CS..Hα-helixtrans-69.6-40.1-175.8-175.560.576.800112.5L79 A81 I83 V88 R90 Y92 Q127 Y128 L129 I138L79-M125 HydrophobicContact CB-CE 4.28Å; L79-M125 HydrophobicContact CB-SD 4.45Å; A81-M125 HydrophobicContact CB-CE 4.12Å; A81-M125 HydrophobicContact CB-SD 4.46Å; I83-M125 HydrophobicContact CD1-CE 4.49Å; I83-M125 HydrophobicContact CD1-SD 4.37Å; V88-M125 HydrophobicContact CB-CE 4.27Å; V88-M125 HydrophobicContact CG1-CB 4.22Å; V88-M125 HydrophobicContact CG1-CE 4.09Å; V88-M125 VanDerWaalsContact O-CE 3.25Å; V88-M125 WeakPolarHBondContact O-CE 3.46Å; R90-M125 HydrophobicContact CB-CB 4.24Å; R90-M125 HydrophobicContact CB-CG 4.15Å; R90-M125 HydrophobicContact CG-CB 3.69Å; R90-M125 HydrophobicContact CG-CG 4.14Å; Y92-M125 HydrophobicContact CE2-CG 3.92Å; Y92-M125 WeakPolarHBondContact OH-CG 3.38Å; M125-Q127 PolarHBondContact O-N 2.8Å; M125-Y128 WeakPolarHBondContact O-CB 3.45Å; M125-Y128 PolarHBondContact O-N 2.68Å; M125-Y128 HydrophobicContact SD-CD1 3.97Å; M125-L129 HydrophobicContact CG-CD1 4.26Å; M125-L129 HydrophobicContact CG-CG 4.43Å; M125-L129 WeakPolarHBondContact O-CG 3.43Å; M125-L129 PolarHBondContact O-N 2.8Å; M125-L129 HydrophobicContact SD-CG 4.43Å; M125-I138 HydrophobicContact SD-CD1 3.94Å
126S98.3Very high96.9Very high6 Ų669.9 Ų69.94%0.04237%0.366CS..Hα-helixtrans-65.4-41.3-178.8610000112.4K109 Y111 G123 L129 E130K109-S126 WeakPolarHBondContact O-CB 3.29Å; Y111-S126 PolarHBondContact N-OG 3.23Å; G123-S126 PolarHBondContact O-OG 3.22Å; S126-L129 PolarHBondContact O-N 2.58Å; S126-E130 PolarHBondContact O-N 3.47Å
127Q98.6Very high97.3Very high48 Ų4870.1 Ų70.122%0.22437%0.372CS..Hα-helixtrans-70.1-33.4174.6-69.5177.9102.700112I110 Y111 E121 G123 M125 E130 S131I110-Q127 HydrophobicContact CG2-CG 4.49Å; Y111-Q127 VanDerWaalsContact O-CG 3.32Å; Y111-Q127 WeakPolarHBondContact O-CG 3.3Å; Y111-Q127 PolarHBondContact O-NE2 2.94Å; E121-Q127 PolarHBondContact O-NE2 3.14Å; G123-Q127 VanDerWaalsContact O-CB 3.3Å; G123-Q127 WeakPolarHBondContact O-CB 3.42Å; G123-Q127 VanDerWaalsContact O-CG 3.29Å; G123-Q127 WeakPolarHBondContact O-CG 3.39Å; G123-Q127 PolarHBondContact O-N 2.78Å; G123-Q127 VanDerWaalsContact O-N 3.12Å; G123-Q127 PolarHBondContact O-NE2 3.23Å; M125-Q127 PolarHBondContact O-N 2.8Å; Q127-E130 PolarHBondContact O-N 3.27Å; Q127-S131 PolarHBondContact O-N 3.32Å
128Y98.7Very high97.7Very high62 Ų6264.6 Ų64.624%0.24334%0.336CS..Hα-helixtrans-61.9-47.5172.1175.8-100.7000111.5A81 I83 K124 M125 E130 S131 L132 I138A81-Y128 HydrophobicContact CB-CD1 3.81Å; A81-Y128 HydrophobicContact CB-CE1 3.34Å; A81-Y128 HydrophobicContact CB-CE2 4.42Å; A81-Y128 HydrophobicContact CB-CG 4.5Å; I83-Y128 HydrophobicContact CD1-CD1 4.34Å; I83-Y128 HydrophobicContact CD1-CD2 4.34Å; I83-Y128 HydrophobicContact CD1-CG 3.83Å; I83-Y128 HydrophobicContact CG1-CD2 3.97Å; I83-Y128 HydrophobicContact CG1-CG 3.95Å; K124-Y128 WeakPolarHBondContact O-CB 3.28Å; K124-Y128 PolarHBondContact O-N 3.06Å; K124-Y128 VanDerWaalsContact O-N 3.1Å; M125-Y128 WeakPolarHBondContact O-CB 3.45Å; M125-Y128 PolarHBondContact O-N 2.68Å; M125-Y128 HydrophobicContact SD-CD1 3.97Å; Y128-E130 VanDerWaalsContact C-N 3.35Å; Y128-E130 PolarHBondContact O-N 2.89Å; Y128-S131 WeakPolarHBondContact O-CB 3.5Å; Y128-S131 PolarHBondContact O-N 3.43Å; Y128-S131 VanDerWaalsContact O-N 3.1Å; Y128-S131 PolarHBondContact O-OG 3.05Å; Y128-L132 HydrophobicContact CE1-CD2 3.97Å; Y128-L132 HydrophobicContact CE2-CD2 4.43Å; Y128-L132 PolarHBondContact O-N 3.25Å; Y128-I138 HydrophobicContact CD1-CD1 4.17Å; Y128-I138 HydrophobicContact CE1-CD1 3.82Å; Y128-I138 HydrophobicContact CE1-CG1 4.32Å
129L98.6Very high98Very high0 Ų059 Ų590%032%0.315CS..Hα-helixtrans-57.7-45.6174.5-72171.1000112F58 F60 L79 Y92 V108 M125 S126 S131 L132 I138F58-L129 HydrophobicContact CE1-CB 4.13Å; F58-L129 WeakPolarHBondContact CE1-O 3.23Å; F58-L129 HydrophobicContact CE2-CB 4.08Å; F58-L129 HydrophobicContact CZ-CB 3.76Å; F60-L129 HydrophobicContact CZ-CD2 4.27Å; L79-L129 HydrophobicContact CD1-CD1 4.05Å; L79-L129 HydrophobicContact CD1-CD2 3.97Å; Y92-L129 HydrophobicContact CE1-CD1 4.3Å; Y92-L129 HydrophobicContact CE2-CD1 4.42Å; V108-L129 HydrophobicContact CG1-CD1 4.13Å; V108-L129 HydrophobicContact CG2-CD1 4.17Å; M125-L129 HydrophobicContact CG-CD1 4.26Å; M125-L129 HydrophobicContact CG-CG 4.43Å; M125-L129 WeakPolarHBondContact O-CG 3.43Å; M125-L129 PolarHBondContact O-N 2.8Å; M125-L129 HydrophobicContact SD-CG 4.43Å; S126-L129 PolarHBondContact O-N 2.58Å; L129-S131 PolarHBondContact O-N 2.88Å; L129-L132 HydrophobicContact CD2-CD1 3.92Å; L129-L132 WeakPolarHBondContact O-CB 3.48Å; L129-L132 PolarHBondContact O-N 3.1Å; L129-L132 VanDerWaalsContact O-N 3.1Å; L129-I138 HydrophobicContact CD2-CD1 3.78Å
130E98.6Very high98.2Very high43 Ų4352.7 Ų52.720%0.20129%0.287CS..Hα-helixtrans-59.2-34.9177178.966.3161.600112.4K48 R56 I110 F112 S126 Q127 Y128 L132K48-E130 PolarHBondContact NZ-O 3.44Å; R56-E130 WeakPolarHBondContact CG-OE2 3.34Å; R56-E130 IonicContact CZ-OE1 3.62Å; R56-E130 IonicContact NE-OE1 3.45Å; R56-E130 PolarHBondContact NE-OE1 3.11Å; R56-E130 IonicContact NE-OE2 2.84Å; R56-E130 PolarHBondContact NE-OE2 3.41Å; R56-E130 VanDerWaalsContact NE-OE2 3.09Å; R56-E130 IonicContact NH2-OE1 2.69Å; R56-E130 PolarHBondContact NH2-OE1 3.07Å; I110-E130 HydrophobicContact CD1-CB 4.17Å; I110-E130 HydrophobicContact CG1-CB 4.43Å; I110-E130 HydrophobicContact CG2-CB 4Å; I110-E130 HydrophobicContact CG2-CG 4.32Å; F112-E130 HydrophobicContact CE1-CG 4.23Å; S126-E130 PolarHBondContact O-N 3.47Å; Q127-E130 PolarHBondContact O-N 3.27Å; Y128-E130 VanDerWaalsContact C-N 3.35Å; Y128-E130 PolarHBondContact O-N 2.89Å; E130-L132 VanDerWaalsContact C-N 3.29Å; E130-L132 PolarHBondContact O-N 3.05Å
131S98.4Very high98.4Very high77 Ų7754 Ų5454%0.53828%0.283SS..Hα-helixtrans-73.8-16.2179.377.90000114.6Q127 Y128 L129Q127-S131 PolarHBondContact O-N 3.32Å; Y128-S131 WeakPolarHBondContact O-CB 3.5Å; Y128-S131 PolarHBondContact O-N 3.43Å; Y128-S131 VanDerWaalsContact O-N 3.1Å; Y128-S131 PolarHBondContact O-OG 3.05Å; L129-S131 PolarHBondContact O-N 2.88Å
132L98.5Very high98.4Very high7 Ų746.8 Ų46.84%0.03725%0.25CS..PPolyproline II helixtrans-63.4138.9179-63.6-179000111.2L45 K48 F60 Y128 L129 E130 D136L45-L132 HydrophobicContact CD2-CB 3.74Å; K48-L132 PolarHBondContact NZ-O 2.96Å; F60-L132 HydrophobicContact CE1-CD1 4.49Å; Y128-L132 HydrophobicContact CE1-CD2 3.97Å; Y128-L132 HydrophobicContact CE2-CD2 4.43Å; Y128-L132 PolarHBondContact O-N 3.25Å; L129-L132 HydrophobicContact CD2-CD1 3.92Å; L129-L132 WeakPolarHBondContact O-CB 3.48Å; L129-L132 PolarHBondContact O-N 3.1Å; L129-L132 VanDerWaalsContact O-N 3.1Å; E130-L132 VanDerWaalsContact C-N 3.29Å; E130-L132 PolarHBondContact O-N 3.05Å; L132-D136 HydrophobicContact CB-CB 4.36Å; L132-D136 HydrophobicContact CD2-CB 3.99Å
133K98.6Very high98.4Very high157 Ų15747.1 Ų47.168%0.68325%0.248SC*.PPolyproline II helixtrans-94156.3171-58.8179.6-175179.20109.4G135 D136K133-G135 PolarHBondContact O-N 3.12Å; K133-D136 PolarHBondContact N-OD2 3.49Å; K133-D136 VanDerWaalsContact O-CB 3.31Å; K133-D136 WeakPolarHBondContact O-CB 3.26Å; K133-D136 PolarHBondContact O-N 2.84Å
134L98.7Very high98.5Very high114 Ų11447.4 Ų47.460%0.59725%0.248SC*.THydrogen-bonded Turntrans-57.5133.7170.6-60.5-177.1000109.2L45L45-L134 HydrophobicContact CD2-CD2 4.44Å; L45-L134 HydrophobicContact CG-CD2 4.18Å
135G98.5Very high98.4Very high35 Ų3543.3 Ų43.336%0.36124%0.235SC..THydrogen-bonded Turntrans94.9-19-17400000114.9R44 L45 K133R44-G135 WeakPolarHBondContact CG-O 3.34Å; L45-G135 PolarHBondContact O-N 3.36Å; K133-G135 PolarHBondContact O-N 3.12Å
136D98.7Very high98.4Very high67 Ų6745.3 Ų45.336%0.35825%0.246SC..  trans-67.4152.5174-67.8-18.7000110.8R44 L45 L132 K133R44-D136 CarbonylContact C-O 3.6Å; R44-D136 WeakPolarHBondContact CA-O 3.42Å; L45-D136 PolarHBondContact N-O 2.98Å; L132-D136 HydrophobicContact CB-CB 4.36Å; L132-D136 HydrophobicContact CD2-CB 3.99Å; K133-D136 PolarHBondContact N-OD2 3.49Å; K133-D136 VanDerWaalsContact O-CB 3.31Å; K133-D136 WeakPolarHBondContact O-CB 3.26Å; K133-D136 PolarHBondContact O-N 2.84Å
137T98.6Very high98.4Very high74 Ų7445 Ų4545%0.45424%0.244SC..EExtended strand (participates in β ladder)trans-113.4151179.258.40000112.2L43 R44L43-T137 VanDerWaalsContact O-CA 3.23Å; L43-T137 WeakPolarHBondContact O-CA 3.41Å; R44-T137 HydrophobicContact CB-CG2 4.11Å
138I98.8Very high98.4Very high3 Ų344.2 Ų44.22%0.01524%0.242CC..EExtended strand (participates in β ladder)trans-134.7147.8168.5-167.8171.8000110.3A42 L43 F60 L79 A81 M125 Y128 L129 F140A42-I138 WeakPolarHBondContact CA-O 3.36Å; L43-I138 PolarHBondContact N-O 3.48Å; L43-I138 PolarHBondContact O-N 3.04Å; F60-I138 HydrophobicContact CD1-CG2 4.1Å; F60-I138 HydrophobicContact CE1-CG2 3.47Å; F60-I138 VanDerWaalsContact CE1-CG2 3.47Å; F60-I138 HydrophobicContact CZ-CG2 3.91Å; L79-I138 HydrophobicContact CB-CD1 3.94Å; L79-I138 HydrophobicContact CD1-CD1 4.09Å; L79-I138 HydrophobicContact CD2-CG2 4.18Å; L79-I138 HydrophobicContact CG-CD1 4.41Å; A81-I138 HydrophobicContact CB-CD1 4.43Å; M125-I138 HydrophobicContact SD-CD1 3.94Å; Y128-I138 HydrophobicContact CD1-CD1 4.17Å; Y128-I138 HydrophobicContact CE1-CD1 3.82Å; Y128-I138 HydrophobicContact CE1-CG1 4.32Å; L129-I138 HydrophobicContact CD2-CD1 3.78Å; I138-F140 HydrophobicContact CG2-CD2 4.03Å; I138-F140 HydrophobicContact CG2-CE2 3.53Å; I138-F140 WeakPolarHBondContact O-CD2 3.37Å; I138-F140 PolarHBondContact O-N 3.02Å
139D98.8Very high98.4Very high51 Ų5142 Ų4227%0.27323%0.233SC..EExtended strand (participates in β ladder)trans-75.1118.5179.5-69.4-21.6000111.1K40 L79 S80K40-D139 HydrophobicContact CB-CB 4.18Å; K40-D139 HydrophobicContact CD-CB 4.04Å; K40-D139 WeakPolarHBondContact CD-OD2 3.14Å; K40-D139 HydrophobicContact CG-CB 4.45Å; K40-D139 IonicContact NZ-OD2 3.92Å; L79-D139 WeakPolarHBondContact CA-O 3.31Å; S80-D139 PolarHBondContact N-O 3.1Å; S80-D139 WeakPolarHBondContact OG-CB 3.41Å
140F98.8Very high98.4Very high0 Ų047.8 Ų47.80%026%0.26CS..EExtended strand (participates in β ladder)trans-94.3140.7166.2-77.4-114.3000110.1K40 Y41 L43 F60 I77 Y78 L79 V104 L106 I138K40-F140 CarbonylContact C-O 3.58Å; K40-F140 WeakPolarHBondContact CA-O 3.47Å; Y41-F140 PolarHBondContact N-O 3.01Å; Y41-F140 PolarHBondContact O-N 2.83Å; L43-F140 HydrophobicContact CB-CD2 3.7Å; L43-F140 HydrophobicContact CB-CE2 3.77Å; L43-F140 HydrophobicContact CD1-CB 4.13Å; L43-F140 HydrophobicContact CD1-CD1 3.92Å; L43-F140 HydrophobicContact CD1-CD2 3.65Å; L43-F140 HydrophobicContact CD1-CE1 4.2Å; L43-F140 HydrophobicContact CD1-CE2 3.95Å; L43-F140 HydrophobicContact CD1-CG 3.63Å; L43-F140 HydrophobicContact CD1-CZ 4.22Å; L43-F140 HydrophobicContact CG-CB 4.27Å; L43-F140 HydrophobicContact CG-CD2 3.66Å; L43-F140 HydrophobicContact CG-CE2 4.15Å; L43-F140 HydrophobicContact CG-CG 4Å; F60-F140 HydrophobicContact CB-CE2 4.26Å; F60-F140 HydrophobicContact CB-CZ 4.15Å; F60-F140 AromaticContact CD1-CE2 3.92Å; F60-F140 HydrophobicContact CD1-CE2 3.92Å; F60-F140 HydrophobicContact CD1-CZ 4.27Å; F60-F140 HydrophobicContact CD2-CE2 4.09Å; F60-F140 AromaticContact CD2-CZ 3.58Å; F60-F140 HydrophobicContact CD2-CZ 3.58Å; F60-F140 HydrophobicContact CE1-CE2 4.28Å; F60-F140 HydrophobicContact CE2-CE2 4.41Å; F60-F140 AromaticContact CE2-CZ 3.98Å; F60-F140 HydrophobicContact CE2-CZ 3.98Å; F60-F140 AromaticContact CG-CE2 3.83Å; F60-F140 HydrophobicContact CG-CE2 3.83Å; F60-F140 AromaticContact CG-CZ 3.74Å; F60-F140 HydrophobicContact CG-CZ 3.74Å; F60-F140 HydrophobicContact CZ-CZ 4.49Å; I77-F140 HydrophobicContact CB-CD1 4.4Å; I77-F140 HydrophobicContact CD1-CD1 3.82Å; I77-F140 HydrophobicContact CD1-CE1 3.93Å; I77-F140 HydrophobicContact CG1-CD1 3.86Å; I77-F140 HydrophobicContact CG1-CE1 4.1Å; Y78-F140 CarbonylContact O-C 3.48Å; L79-F140 HydrophobicContact CD2-CD1 3.79Å; L79-F140 HydrophobicContact CD2-CD2 3.6Å; L79-F140 HydrophobicContact CD2-CE1 3.7Å; L79-F140 HydrophobicContact CD2-CE2 3.51Å; L79-F140 HydrophobicContact CD2-CG 3.74Å; L79-F140 HydrophobicContact CD2-CZ 3.56Å; V104-F140 HydrophobicContact CG1-CE1 3.91Å; V104-F140 HydrophobicContact CG1-CZ 4.11Å; L106-F140 HydrophobicContact CD1-CE1 4.15Å; L106-F140 HydrophobicContact CD1-CZ 3.99Å; I138-F140 HydrophobicContact CG2-CD2 4.03Å; I138-F140 HydrophobicContact CG2-CE2 3.53Å; I138-F140 WeakPolarHBondContact O-CD2 3.37Å; I138-F140 PolarHBondContact O-N 3.02Å
141R98.5Very high98.4Very high90 Ų9046.8 Ų46.834%0.3426%0.261SS..EExtended strand (participates in β ladder)trans-143.3137.4170.7179.7173.669.1134.84.6110.6P37 I39 I77 Y78P37-R141 VanDerWaalsContact O-CD 3.29Å; P37-R141 WeakPolarHBondContact O-CD 3.21Å; P37-R141 WeakPolarHBondContact O-CG 3.37Å; I39-R141 WeakPolarHBondContact O-CG 3.41Å; I77-R141 CarbonylContact C-O 3.55Å; I77-R141 WeakPolarHBondContact CA-O 3.41Å; Y78-R141 PolarHBondContact N-O 2.84Å; Y78-R141 PolarHBondContact O-N 3.47Å
142G97.9Very high98.4Very high1 Ų148.4 Ų48.41%0.0126%0.259CS..EExtended strand (participates in β ladder)trans164.8-169.318000000110.4L34 P37L34-G142 WeakPolarHBondContact CB-O 3.18Å; P37-G142 VanDerWaalsContact CA-O 3.23Å; P37-G142 WeakPolarHBondContact CA-O 3.36Å
143P97.8Very high98.4Very high29 Ų2948.1 Ų48.119%0.18826%0.258CS..EExtended strand (participates in β ladder)cis-77.2160.12.936.4-40.4000112.3L71 P72 Q75L71-P143 HydrophobicContact CD1-CB 3.53Å; P72-P143 HydrophobicContact CG-CG 4.41Å; Q75-P143 HydrophobicContact CB-CB 4.4Å; Q75-P143 VanDerWaalsContact OE1-CB 3.24Å
144S97.6Very high98.4Very high23 Ų2342.4 Ų42.416%0.16124%0.235CC..EExtended strand (participates in β ladder)trans-148.3144.5177.7-156.20000111.7Q75 H76Q75-S144 WeakPolarHBondContact CA-O 3.48Å; Q75-S144 WeakPolarHBondContact CB-O 3.44Å; H76-S144 PolarHBondContact CE1-O 2.99Å; H76-S144 PolarHBondContact N-O 3.1Å; H76-S144 PolarHBondContact ND1-O 3.33Å; H76-S144 PolarHBondContact O-N 3.35Å
145G97.6Very high98.4Very high19 Ų1937 Ų3720%0.19621%0.207CC..  trans155.9159.3-17900000109.3
146L98.4Very high98.4Very high46 Ų4635.8 Ų35.824%0.24119%0.194CC..SBendtrans-100.3-7.4177.1-60.4-179.8000112.3I157 Q158 K161 F297L146-I157 CarbonylContact O-C 3.57Å; L146-I157 WeakPolarHBondContact O-CA 3.21Å; L146-Q158 HydrophobicContact CB-CB 4.24Å; L146-Q158 HydrophobicContact CD2-CB 4.07Å; L146-Q158 PolarHBondContact O-N 3.37Å; L146-K161 HydrophobicContact CD2-CG 3.94Å; L146-F297 HydrophobicContact CB-CE2 3.88Å; L146-F297 HydrophobicContact CB-CZ 3.97Å
147L98.6Very high98.4Very high0 Ų033.4 Ų33.40%018%0.181CC..EExtended strand (participates in β ladder)trans-117.1133.8179.1-179.2154.8000109.3G74 F155 A156 I157 L188 L270 F297 F299G74-L147 CarbonylContact C-O 3.6Å; G74-L147 VanDerWaalsContact C-O 3.22Å; G74-L147 VanDerWaalsContact O-O 3.05Å; L147-F155 HydrophobicContact CD1-CD1 4.07Å; L147-F155 HydrophobicContact CD2-CD1 3.99Å; L147-F155 HydrophobicContact CD2-CE1 4.41Å; L147-F155 HydrophobicContact CG-CD1 4.16Å; L147-A156 WeakPolarHBondContact CA-O 3.37Å; L147-I157 HydrophobicContact CB-CG1 4.49Å; L147-I157 HydrophobicContact CD1-CD1 3.92Å; L147-I157 HydrophobicContact CD1-CG1 4.19Å; L147-I157 HydrophobicContact CG-CD1 4.44Å; L147-I157 HydrophobicContact CG-CG1 4.15Å; L147-L188 HydrophobicContact CD2-CD2 4.48Å; L147-L270 HydrophobicContact CD1-CD1 4.5Å; L147-L270 HydrophobicContact CD1-CD2 3.66Å; L147-F297 HydrophobicContact CB-CD1 4.16Å; L147-F297 HydrophobicContact CB-CE1 3.68Å; L147-F297 HydrophobicContact CB-CE2 4.11Å; L147-F297 HydrophobicContact CB-CZ 3.66Å; L147-F297 HydrophobicContact CD1-CB 4.35Å; L147-F297 HydrophobicContact CD1-CD1 3.61Å; L147-F297 HydrophobicContact CD1-CD2 4.49Å; L147-F297 HydrophobicContact CD1-CE1 3.99Å; L147-F297 HydrophobicContact CD1-CG 3.89Å; L147-F297 HydrophobicContact CG-CE1 4.49Å; L147-F299 HydrophobicContact CD1-CZ 4.43Å; L147-F299 HydrophobicContact CD2-CE1 4.47Å; L147-F299 HydrophobicContact CD2-CZ 4.35Å
148T98.6Very high98.4Very high30 Ų3032.2 Ų32.218%0.18417%0.17CC..EExtended strand (participates in β ladder)trans-126.6133.5166.4-56.40000108.9P72 I73 Q75 E150 F155 A156P72-T148 HydrophobicContact CB-CG2 3.92Å; I73-T148 CarbonylContact O-C 3.49Å; I73-T148 VanDerWaalsContact O-CA 3.31Å; I73-T148 WeakPolarHBondContact O-CA 3.47Å; Q75-T148 PolarHBondContact NE2-OG1 2.96Å; T148-E150 HydrophobicContact CG2-CG 4.49Å; T148-F155 CarbonylContact O-C 3.58Å; T148-F155 WeakPolarHBondContact O-CA 3.46Å; T148-A156 PolarHBondContact N-O 3.31Å; T148-A156 PolarHBondContact O-N 3.45Å
149Y98.8Very high98.2Very high15 Ų1536.2 Ų36.26%0.05920%0.204CC..EExtended strand (participates in β ladder)trans-91.7119169.8-173.6-117.2000109.9I73 G151 K152 G153 V154 F155 L188 I192 D198 T200I73-Y149 HydrophobicContact CG2-CD1 4.27Å; I73-Y149 PolarHBondContact O-N 2.69Å; Y149-G151 VanDerWaalsContact CE1-CA 3.47Å; Y149-K152 PolarHBondContact OH-N 3.4Å; Y149-G153 PolarHBondContact OH-N 2.9Å; Y149-V154 VanDerWaalsContact CD2-O 3.29Å; Y149-V154 WeakPolarHBondContact CD2-O 3.38Å; Y149-F155 AromaticContact CD2-CD1 3.77Å; Y149-F155 HydrophobicContact CD2-CD1 3.77Å; Y149-F155 HydrophobicContact CD2-CD2 4.09Å; Y149-F155 AromaticContact CD2-CE1 3.42Å; Y149-F155 HydrophobicContact CD2-CE1 3.42Å; Y149-F155 VanDerWaalsContact CD2-CE1 3.42Å; Y149-F155 AromaticContact CD2-CE2 3.76Å; Y149-F155 HydrophobicContact CD2-CE2 3.76Å; Y149-F155 HydrophobicContact CD2-CG 4.09Å; Y149-F155 AromaticContact CD2-CZ 3.4Å; Y149-F155 HydrophobicContact CD2-CZ 3.4Å; Y149-F155 VanDerWaalsContact CD2-CZ 3.4Å; Y149-F155 HydrophobicContact CE2-CD2 4.19Å; Y149-F155 HydrophobicContact CE2-CE1 4.04Å; Y149-F155 AromaticContact CE2-CE2 3.59Å; Y149-F155 HydrophobicContact CE2-CE2 3.59Å; Y149-F155 AromaticContact CE2-CZ 3.5Å; Y149-F155 HydrophobicContact CE2-CZ 3.5Å; Y149-F155 VanDerWaalsContact CE2-CZ 3.5Å; Y149-F155 HydrophobicContact CG-CE1 4.24Å; Y149-F155 HydrophobicContact CG-CZ 4.48Å; Y149-L188 VanDerWaalsContact CB-CD2 3.48Å; Y149-L188 HydrophobicContact CD1-CD2 4.41Å; Y149-L188 HydrophobicContact CD2-CD2 4.43Å; Y149-L188 HydrophobicContact CG-CD2 3.88Å; Y149-I192 HydrophobicContact CD1-CG1 4.37Å; Y149-I192 HydrophobicContact CE1-CD1 4.23Å; Y149-I192 HydrophobicContact CE1-CG1 3.49Å; Y149-I192 VanDerWaalsContact CE1-CG1 3.49Å; Y149-I192 HydrophobicContact CE2-CD1 4.47Å; Y149-I192 WeakPolarHBondContact OH-CG1 3.34Å; Y149-D198 PolarHBondContact OH-OD1 3.44Å; Y149-D198 PolarHBondContact OH-OD2 3.05Å; Y149-T200 PolarHBondContact OH-OG1 2.77Å
150E98.4Very high98Very high123 Ų12337 Ų3758%0.57521%0.208SC*.EExtended strand (participates in β ladder)trans-96.22.6-176.3-59.4-175.3150.900112.2T148 V154 A156T148-E150 HydrophobicContact CG2-CG 4.49Å; E150-V154 HydrophobicContact CB-CB 4.25Å; E150-V154 HydrophobicContact CB-CG1 4.17Å; E150-V154 PolarHBondContact N-O 3.32Å; E150-V154 WeakPolarHBondContact OE2-CG1 3.32Å; E150-A156 HydrophobicContact CG-CB 4.43Å
151G98.3Very high97.7Very high21 Ų2144.1 Ų44.122%0.21624%0.239CC..EExtended strand (participates in β ladder)trans94.5159.5-177.700000113.2Y149 G153 V154Y149-G151 VanDerWaalsContact CE1-CA 3.47Å; G151-G153 VanDerWaalsContact C-N 3.25Å; G151-G153 PolarHBondContact O-N 3.05Å; G151-V154 WeakPolarHBondContact O-CB 3.43Å; G151-V154 PolarHBondContact O-N 2.86Å
152K98.4Very high97.5Very high112 Ų11249.4 Ų49.449%0.48726%0.264SS..THydrogen-bonded Turntrans53.941.4170.1-56-178.7179.9-177.10113.3Y149 V154 D195 D198Y149-K152 PolarHBondContact OH-N 3.4Å; K152-V154 VanDerWaalsContact C-N 3.31Å; K152-V154 PolarHBondContact O-N 3.36Å; K152-D195 WeakPolarHBondContact CE-OD2 3.49Å; K152-D198 VanDerWaalsContact CA-OD2 3.3Å; K152-D198 WeakPolarHBondContact CA-OD2 3.4Å; K152-D198 PolarHBondContact N-OD2 3.32Å
153G98.3Very high97.5Very high1 Ų151.1 Ų51.11%0.0128%0.276CS..THydrogen-bonded Turntrans79.28.3177.200000114.7Y149 G151 F155 M169 A170 T200Y149-G153 PolarHBondContact OH-N 2.9Å; G151-G153 VanDerWaalsContact C-N 3.25Å; G151-G153 PolarHBondContact O-N 3.05Å; G153-F155 WeakPolarHBondContact O-CD2 3.28Å; G153-M169 CarbonylContact O-C 3.54Å; G153-M169 WeakPolarHBondContact O-CA 3.46Å; G153-A170 VanDerWaalsContact CA-O 3.22Å; G153-A170 WeakPolarHBondContact CA-O 3.48Å; G153-A170 PolarHBondContact O-N 3.38Å; G153-T200 VanDerWaalsContact CA-OG1 3.25Å; G153-T200 WeakPolarHBondContact CA-OG1 3.48Å; G153-T200 PolarHBondContact N-OG1 2.84Å; G153-T200 VanDerWaalsContact N-OG1 3.11Å
154V98.7Very high97.4Very high36 Ų3655.1 Ų55.122%0.21830%0.302CS..EExtended strand (participates in β ladder)trans-94.9122.6-178.7-174.80000110.8Y149 E150 G151 K152 T167Y149-V154 VanDerWaalsContact CD2-O 3.29Å; Y149-V154 WeakPolarHBondContact CD2-O 3.38Å; E150-V154 HydrophobicContact CB-CB 4.25Å; E150-V154 HydrophobicContact CB-CG1 4.17Å; E150-V154 PolarHBondContact N-O 3.32Å; E150-V154 WeakPolarHBondContact OE2-CG1 3.32Å; G151-V154 WeakPolarHBondContact O-CB 3.43Å; G151-V154 PolarHBondContact O-N 2.86Å; K152-V154 VanDerWaalsContact C-N 3.31Å; K152-V154 PolarHBondContact O-N 3.36Å; V154-T167 HydrophobicContact CG1-CG2 3.61Å
155F98.8Very high97.4Very high0 Ų056.4 Ų56.40%031%0.314CS..EExtended strand (participates in β ladder)trans-119.1126.4177.8-66-96.2000110.2L147 T148 Y149 G153 I157 T167 K168 A170 V173 L188 L268 L270L147-F155 HydrophobicContact CD1-CD1 4.07Å; L147-F155 HydrophobicContact CD2-CD1 3.99Å; L147-F155 HydrophobicContact CD2-CE1 4.41Å; L147-F155 HydrophobicContact CG-CD1 4.16Å; T148-F155 CarbonylContact O-C 3.58Å; T148-F155 WeakPolarHBondContact O-CA 3.46Å; Y149-F155 AromaticContact CD2-CD1 3.77Å; Y149-F155 HydrophobicContact CD2-CD1 3.77Å; Y149-F155 HydrophobicContact CD2-CD2 4.09Å; Y149-F155 AromaticContact CD2-CE1 3.42Å; Y149-F155 HydrophobicContact CD2-CE1 3.42Å; Y149-F155 VanDerWaalsContact CD2-CE1 3.42Å; Y149-F155 AromaticContact CD2-CE2 3.76Å; Y149-F155 HydrophobicContact CD2-CE2 3.76Å; Y149-F155 HydrophobicContact CD2-CG 4.09Å; Y149-F155 AromaticContact CD2-CZ 3.4Å; Y149-F155 HydrophobicContact CD2-CZ 3.4Å; Y149-F155 VanDerWaalsContact CD2-CZ 3.4Å; Y149-F155 HydrophobicContact CE2-CD2 4.19Å; Y149-F155 HydrophobicContact CE2-CE1 4.04Å; Y149-F155 AromaticContact CE2-CE2 3.59Å; Y149-F155 HydrophobicContact CE2-CE2 3.59Å; Y149-F155 AromaticContact CE2-CZ 3.5Å; Y149-F155 HydrophobicContact CE2-CZ 3.5Å; Y149-F155 VanDerWaalsContact CE2-CZ 3.5Å; Y149-F155 HydrophobicContact CG-CE1 4.24Å; Y149-F155 HydrophobicContact CG-CZ 4.48Å; G153-F155 WeakPolarHBondContact O-CD2 3.28Å; F155-I157 HydrophobicContact CB-CD1 4.29Å; F155-I157 HydrophobicContact CB-CG1 4.11Å; F155-T167 CarbonylContact O-C 3.52Å; F155-T167 WeakPolarHBondContact O-CA 3.02Å; F155-K168 PolarHBondContact N-O 3.02Å; F155-K168 PolarHBondContact O-N 3.4Å; F155-A170 HydrophobicContact CD2-CB 4.34Å; F155-A170 HydrophobicContact CE2-CB 4.11Å; F155-V173 HydrophobicContact CE2-CG2 3.88Å; F155-V173 HydrophobicContact CZ-CG2 3.69Å; F155-L188 HydrophobicContact CE1-CD2 4.09Å; F155-L268 HydrophobicContact CB-CD2 4.12Å; F155-L268 HydrophobicContact CD1-CD2 3.79Å; F155-L268 HydrophobicContact CD2-CD2 3.63Å; F155-L268 HydrophobicContact CE1-CD2 4.07Å; F155-L268 HydrophobicContact CE2-CD2 3.94Å; F155-L268 HydrophobicContact CG-CD2 3.56Å; F155-L268 HydrophobicContact CZ-CD2 4.15Å; F155-L270 HydrophobicContact CE1-CD1 4.23Å
156A98.5Very high97.4Very high10 Ų1059.5 Ų59.58%0.08333%0.329CS..EExtended strand (participates in β ladder)trans-95.4113.2167.800000108.8L147 T148 E150 A165L147-A156 WeakPolarHBondContact CA-O 3.37Å; T148-A156 PolarHBondContact N-O 3.31Å; T148-A156 PolarHBondContact O-N 3.45Å; E150-A156 HydrophobicContact CG-CB 4.43Å; A156-A165 HydrophobicContact CB-CB 3.99Å
157I98.4Very high97.4Very high17 Ų1761.9 Ų61.99%0.08735%0.346CS..EExtended strand (participates in β ladder)trans-121.8123.3-175.3-53.2-173.3000111.1L146 L147 F155 V166 K168 L268 F297L146-I157 CarbonylContact O-C 3.57Å; L146-I157 WeakPolarHBondContact O-CA 3.21Å; L147-I157 HydrophobicContact CB-CG1 4.49Å; L147-I157 HydrophobicContact CD1-CD1 3.92Å; L147-I157 HydrophobicContact CD1-CG1 4.19Å; L147-I157 HydrophobicContact CG-CD1 4.44Å; L147-I157 HydrophobicContact CG-CG1 4.15Å; F155-I157 HydrophobicContact CB-CD1 4.29Å; F155-I157 HydrophobicContact CB-CG1 4.11Å; I157-V166 PolarHBondContact N-O 3.27Å; I157-V166 PolarHBondContact O-N 3.27Å; I157-K168 HydrophobicContact CD1-CD 4.01Å; I157-L268 HydrophobicContact CD1-CD1 4.25Å; I157-L268 HydrophobicContact CD1-CD2 4.15Å; I157-F297 HydrophobicContact CD1-CB 4.43Å; I157-F297 HydrophobicContact CD1-CD2 4.48Å; I157-F297 HydrophobicContact CG2-CD2 3.57Å; I157-F297 HydrophobicContact CG2-CE2 3.84Å
158Q97.8Very high97.4Very high50 Ų5063.9 Ų63.923%0.23435%0.354CS..  trans-91.8141.4173.3-63.6170.951.600110.4L146 D160 A165L146-Q158 HydrophobicContact CB-CB 4.24Å; L146-Q158 HydrophobicContact CD2-CB 4.07Å; L146-Q158 PolarHBondContact O-N 3.37Å; Q158-D160 VanDerWaalsContact C-N 3.34Å; Q158-D160 WeakPolarHBondContact CB-O 3.43Å; Q158-D160 PolarHBondContact OE1-O 3.19Å; Q158-A165 HydrophobicContact CG-CB 3.83Å
159A95Very high97.3Very high87 Ų8768.5 Ų68.572%0.71938%0.375SS*.SBendtrans-70.9-33.7172.200000112
160D95.4Very high97.3Very high67 Ų6767.9 Ų67.936%0.35837%0.373SS..SBendtrans-156.9173.3176.364.170.5000109.2Q158 K162 S163Q158-D160 VanDerWaalsContact C-N 3.34Å; Q158-D160 WeakPolarHBondContact CB-O 3.43Å; Q158-D160 PolarHBondContact OE1-O 3.19Å; D160-K162 PolarHBondContact O-N 3.26Å; D160-K162 WeakPolarHBondContact OD1-CA 3.2Å; D160-K162 WeakPolarHBondContact OD1-CB 3.32Å; D160-K162 PolarHBondContact OD1-N 2.81Å; D160-S163 VanDerWaalsContact CG-OG 3.31Å; D160-S163 PolarHBondContact O-N 3.4Å; D160-S163 PolarHBondContact OD1-N 2.81Å; D160-S163 PolarHBondContact OD1-OG 2.84Å; D160-S163 PolarHBondContact OD2-OG 3.25Å
161K92.7Very high97.3Very high150 Ų15067.9 Ų67.965%0.65237%0.371SS*.THydrogen-bonded Turntrans-63.9-12-174.9-66.5-172.5175.2-173.70115.7L146L146-K161 HydrophobicContact CD2-CG 3.94Å
162K94.8Very high97.3Very high200 Ų20069.8 Ų69.887%0.8737%0.374SS*.THydrogen-bonded Turntrans-108.6-20.3-177.6-61.6-179.6178.7-178.90111.9D160D160-K162 PolarHBondContact O-N 3.26Å; D160-K162 WeakPolarHBondContact OD1-CA 3.2Å; D160-K162 WeakPolarHBondContact OD1-CB 3.32Å; D160-K162 PolarHBondContact OD1-N 2.81Å
163S96Very high97.4Very high38 Ų3864.4 Ų64.427%0.26635%0.351SS..SBendtrans-75.3143.4178.9-73.40000111.3D160D160-S163 VanDerWaalsContact CG-OG 3.31Å; D160-S163 PolarHBondContact O-N 3.4Å; D160-S163 PolarHBondContact OD1-N 2.81Å; D160-S163 PolarHBondContact OD1-OG 2.84Å; D160-S163 PolarHBondContact OD2-OG 3.25Å
164P96.8Very high97.4Very high112 Ų11264.4 Ų64.473%0.72735%0.351SS*.PPolyproline II helixtrans-62.7151.1171.528.3-34.4000110.4
165A97.5Very high97.4Very high50 Ų5062.7 Ų62.741%0.41334%0.34SS..PPolyproline II helixtrans-69.9138.3175.700000110.7A156 Q158A156-A165 HydrophobicContact CB-CB 3.99Å; Q158-A165 HydrophobicContact CG-CB 3.83Å
166V97.8Very high97.4Very high85 Ų8562.7 Ų62.752%0.51534%0.34SS..EExtended strand (participates in β ladder)trans-100.2122.3170.4179.20000108.2I157 K168I157-V166 PolarHBondContact N-O 3.27Å; I157-V166 PolarHBondContact O-N 3.27Å; V166-K168 PolarHBondContact O-N 3.15Å
167T98.1Very high97.4Very high95 Ų9562.2 Ų62.258%0.58334%0.336SS*.EExtended strand (participates in β ladder)trans-72.6126.5174.6-53.30000110.1V154 F155V154-T167 HydrophobicContact CG1-CG2 3.61Å; F155-T167 CarbonylContact O-C 3.52Å; F155-T167 WeakPolarHBondContact O-CA 3.02Å
168K97.6Very high97.4Very high43 Ų4361.6 Ų61.619%0.18734%0.335CS..EExtended strand (participates in β ladder)trans-121.5126.8171.7-64.7-174.5-170.7-80.90109.1F155 I157 V166 L268 N294F155-K168 PolarHBondContact N-O 3.02Å; F155-K168 PolarHBondContact O-N 3.4Å; I157-K168 HydrophobicContact CD1-CD 4.01Å; V166-K168 PolarHBondContact O-N 3.15Å; K168-L268 HydrophobicContact CD-CD1 4.05Å; K168-N294 VanDerWaalsContact CE-O 3.3Å; K168-N294 WeakPolarHBondContact CE-O 3.34Å; K168-N294 PolarHBondContact NZ-O 3.39Å
169M98.1Very high97.3Very high127 Ų12760.2 Ų60.263%0.62633%0.333SS*.EExtended strand (participates in β ladder)trans-89.4140.5168.6-157.8177.4-51.600109.2G153 R295G153-M169 CarbonylContact O-C 3.54Å; G153-M169 WeakPolarHBondContact O-CA 3.46Å; M169-R295 PolarHBondContact O-NH1 3.43Å; M169-R295 PolarHBondContact O-NH2 2.65Å
170A98.4Very high97.3Very high1 Ų158.7 Ų58.71%0.00832%0.316CS..  trans-143.4128.417400000109.4G153 F155 V173 D266 L268G153-A170 VanDerWaalsContact CA-O 3.22Å; G153-A170 WeakPolarHBondContact CA-O 3.48Å; G153-A170 PolarHBondContact O-N 3.38Å; F155-A170 HydrophobicContact CD2-CB 4.34Å; F155-A170 HydrophobicContact CE2-CB 4.11Å; A170-V173 HydrophobicContact CB-CG2 4.36Å; A170-D266 CarbonylContact C-O 3.49Å; A170-D266 VanDerWaalsContact CA-O 3.29Å; A170-D266 WeakPolarHBondContact CA-O 3.3Å; A170-L268 HydrophobicContact CB-CB 3.7Å
171K98.6Very high97.4Very high123 Ų12355.7 Ų55.754%0.53530%0.3SS..SBendtrans-84.3-26168.6-60.4179.6-171.8145.80111T200 V201 D266K171-T200 WeakPolarHBondContact O-CA 3.31Å; K171-V201 PolarHBondContact O-N 3.39Å; K171-D266 HydrophobicContact CB-CB 4.34Å; K171-D266 HydrophobicContact CD-CB 4.4Å; K171-D266 WeakPolarHBondContact CD-OD2 3.25Å; K171-D266 WeakPolarHBondContact CE-OD2 3.29Å; K171-D266 HydrophobicContact CG-CB 4.36Å; K171-D266 PolarHBondContact N-O 2.95Å; K171-D266 IonicContact NZ-OD1 3.14Å; K171-D266 IonicContact NZ-OD2 3.77Å; K171-D266 PolarHBondContact NZ-OD2 2.8Å
172Q98.8Very high97.7Very high61 Ų6148.5 Ų48.529%0.28527%0.269SS..EExtended strand (participates in β ladder)trans-128.8135.8-179.8-58.8-176.264.300110.2V201 P261 D266 A267 L268Q172-V201 CarbonylContact C-O 3.16Å; Q172-V201 VanDerWaalsContact CA-O 3.31Å; Q172-V201 WeakPolarHBondContact CA-O 3.5Å; Q172-V201 HydrophobicContact CG-CB 4.4Å; Q172-P261 HydrophobicContact CB-CB 3.81Å; Q172-P261 HydrophobicContact CB-CG 3.64Å; Q172-D266 PolarHBondContact N-O 3.38Å; Q172-D266 VanDerWaalsContact N-O 3.1Å; Q172-A267 CarbonylContact O-C 3.52Å; Q172-A267 VanDerWaalsContact O-CA 3.3Å; Q172-A267 WeakPolarHBondContact O-CA 3.42Å; Q172-L268 PolarHBondContact O-N 3.24Å
173V98.9Very high97.8Very high0 Ų039.6 Ų39.60%023%0.231CC..EExtended strand (participates in β ladder)trans-121.4108.5179.5-174.40000108.4F155 A170 M175 T200 V201 C202 H203 L268 L270F155-V173 HydrophobicContact CE2-CG2 3.88Å; F155-V173 HydrophobicContact CZ-CG2 3.69Å; A170-V173 HydrophobicContact CB-CG2 4.36Å; V173-M175 HydrophobicContact CB-CE 4.07Å; V173-M175 HydrophobicContact CG1-CE 3.56Å; V173-M175 HydrophobicContact CG1-CG 3.93Å; V173-T200 HydrophobicContact CG2-CG2 3.53Å; V173-V201 PolarHBondContact N-O 3.45Å; V173-C202 WeakPolarHBondContact O-CA 3.48Å; V173-H203 PolarHBondContact O-N 3.43Å; V173-L268 CarbonylContact C-O 3.45Å; V173-L268 VanDerWaalsContact CA-O 3.27Å; V173-L268 WeakPolarHBondContact CA-O 3.32Å; V173-L270 HydrophobicContact CG1-CD1 3.62Å; V173-L270 HydrophobicContact CG1-CG 3.82Å
174G98.9Very high98Very high0 Ų038.1 Ų38.10%022%0.221CC..EExtended strand (participates in β ladder)trans-79.4132.5167.800000109.5H203 L268 I269 L270G174-H203 CarbonylContact C-O 3.59Å; G174-L268 PolarHBondContact N-O 2.78Å; G174-I269 CarbonylContact O-C 3.5Å; G174-I269 VanDerWaalsContact O-CA 3.29Å; G174-I269 WeakPolarHBondContact O-CA 3.46Å; G174-L270 PolarHBondContact O-N 2.72Å
175M98.9Very high98.1Very high0 Ų032.8 Ų32.80%019%0.186CC..EExtended strand (participates in β ladder)trans-127.1122.7-176.5-61.1180-17900108.3V173 M185 L188 I189 C202 H203 L204 L205 L270V173-M175 HydrophobicContact CB-CE 4.07Å; V173-M175 HydrophobicContact CG1-CE 3.56Å; V173-M175 HydrophobicContact CG1-CG 3.93Å; M175-M185 HydrophobicContact CB-CG 4.22Å; M175-M185 HydrophobicContact CB-SD 3.87Å; M175-M185 HydrophobicContact CG-SD 3.96Å; M175-M185 HydrophobicContact SD-CB 3.96Å; M175-M185 HydrophobicContact SD-CG 4.49Å; M175-M185 HydrophobicContact SD-SD 4.22Å; M175-L188 HydrophobicContact CE-CB 4.05Å; M175-L188 HydrophobicContact CE-CD1 4.49Å; M175-I189 HydrophobicContact CE-CG1 3.97Å; M175-I189 HydrophobicContact SD-CD1 3.76Å; M175-I189 HydrophobicContact SD-CG1 3.63Å; M175-C202 HydrophobicContact CE-CB 4.03Å; M175-C202 WeakPolarHBondContact CE-SG 3.46Å; M175-C202 HydrophobicContact SD-CB 4.44Å; M175-H203 PolarHBondContact N-O 3.32Å; M175-L204 HydrophobicContact CB-CB 4.48Å; M175-L204 HydrophobicContact CB-CD1 3.72Å; M175-L204 WeakPolarHBondContact O-CA 3.41Å; M175-L205 PolarHBondContact O-N 2.97Å; M175-L270 CarbonylContact C-O 3.55Å; M175-L270 WeakPolarHBondContact CA-O 3.48Å
176I98.9Very high98.1Very high0 Ų031 Ų310%017%0.17CC..EExtended strand (participates in β ladder)trans-116110.4174.8-45.6177.7000108.3L205 I251 L260 I269 L270 M271 C272 M277 C282 L286I176-L205 WeakPolarHBondContact CA-O 3.24Å; I176-I251 HydrophobicContact CG2-CD1 3.86Å; I176-I251 HydrophobicContact CG2-CG1 4.01Å; I176-I251 HydrophobicContact CG2-CG2 4.49Å; I176-L260 HydrophobicContact CD1-CD1 3.69Å; I176-L260 HydrophobicContact CG1-CD1 3.73Å; I176-L260 HydrophobicContact CG1-CD2 4.44Å; I176-I269 HydrophobicContact CD1-CG2 4.42Å; I176-L270 PolarHBondContact N-O 2.93Å; I176-M271 HydrophobicContact CB-CG 4.21Å; I176-M271 HydrophobicContact CD1-CG 4.28Å; I176-M271 HydrophobicContact CD1-SD 4.38Å; I176-M271 HydrophobicContact CG1-CG 4.4Å; I176-M271 WeakPolarHBondContact O-CA 3.48Å; I176-C272 PolarHBondContact O-N 3.38Å; I176-M277 HydrophobicContact CG2-CE 3.6Å; I176-C282 HydrophobicContact CD1-CB 4.27Å; I176-L286 HydrophobicContact CD1-CD1 4.08Å; I176-L286 HydrophobicContact CD1-CD2 4.34Å; I176-L286 HydrophobicContact CD1-CG 4.33Å
177A98.8Very high98.2Very high0 Ų027.7 Ų27.70%015%0.148CC..EExtended strand (participates in β ladder)trans-111.6144.8-17900000111.3I182 M185 L204 L205 F206 A207 C272 M277A177-I182 HydrophobicContact CB-CB 4.49Å; A177-I182 HydrophobicContact CB-CD1 4.24Å; A177-M185 HydrophobicContact CB-CG 4.11Å; A177-L204 HydrophobicContact CB-CD1 4.01Å; A177-L205 PolarHBondContact N-O 2.87Å; A177-F206 HydrophobicContact CB-CD2 3.6Å; A177-F206 HydrophobicContact CB-CE2 4.07Å; A177-F206 HydrophobicContact CB-CG 4.36Å; A177-F206 WeakPolarHBondContact O-CD2 3.4Å; A177-A207 PolarHBondContact O-N 2.9Å; A177-C272 CarbonylContact C-O 3.57Å; A177-C272 VanDerWaalsContact CA-O 3.32Å; A177-C272 WeakPolarHBondContact CA-O 3.34Å; A177-M277 WeakPolarHBondContact O-CE 3.46Å
178G98.1Very high98.2Very high5 Ų523.1 Ų23.15%0.05212%0.121CC..EExtended strand (participates in β ladder)trans-128117.617200000111.8T180 G181 A207 C272 M277G178-T180 PolarHBondContact O-N 3.13Å; G178-G181 PolarHBondContact O-N 3.21Å; G178-A207 WeakPolarHBondContact CA-O 3.33Å; G178-C272 PolarHBondContact N-O 3.45Å; G178-M277 VanDerWaalsContact CA-SD 3.58Å
179G95Very high98.2Very high20 Ų2021.1 Ų21.121%0.20611%0.112CC..G310 helixtrans51.7-119.9-179.300000112.8G181 I182 F206 A207 N208G179-G181 PolarHBondContact O-N 3.13Å; G179-G181 VanDerWaalsContact O-N 3.09Å; G179-I182 PolarHBondContact O-N 3.38Å; G179-F206 WeakPolarHBondContact O-CE2 3.28Å; G179-A207 PolarHBondContact N-O 2.98Å; G179-N208 WeakPolarHBondContact CA-OD1 3.24Å
180T95.5Very high98.2Very high56 Ų5618 Ų1834%0.34410%0.1SC..G310 helixtrans-65.8-9.6179.954.40000114.6K109 G178 I182 L215K109-T180 HydrophobicContact CB-CG2 3.45Å; K109-T180 VanDerWaalsContact CB-CG2 3.45Å; G178-T180 PolarHBondContact O-N 3.13Å; T180-I182 PolarHBondContact O-N 3Å; T180-I182 VanDerWaalsContact O-N 3.11Å; T180-L215 HydrophobicContact CG2-CD1 3.9Å
181G97.3Very high98.2Very high3 Ų319.2 Ų19.23%0.03111%0.11CC..G310 helixtrans-68.41.5173.500000114.7G178 G179 P184 C272G178-G181 PolarHBondContact O-N 3.21Å; G179-G181 PolarHBondContact O-N 3.13Å; G179-G181 VanDerWaalsContact O-N 3.09Å; G181-P184 WeakPolarHBondContact O-CD 3.39Å; G181-C272 VanDerWaalsContact CA-SG 3.52Å; G181-C272 WeakPolarHBondContact O-CB 3.4Å
182I98.4Very high98.2Very high0 Ų013.4 Ų13.40%09%0.085CC..Hα-helixtrans-69.5-30.9175.2-172.357.2000113.5A177 G179 T180 M185 L186 L204 F206 L215 L220A177-I182 HydrophobicContact CB-CB 4.49Å; A177-I182 HydrophobicContact CB-CD1 4.24Å; G179-I182 PolarHBondContact O-N 3.38Å; T180-I182 PolarHBondContact O-N 3Å; T180-I182 VanDerWaalsContact O-N 3.11Å; I182-M185 HydrophobicContact CD1-CB 4.35Å; I182-M185 CarbonylContact O-C 3.53Å; I182-M185 WeakPolarHBondContact O-CA 3.35Å; I182-M185 WeakPolarHBondContact O-CB 3.4Å; I182-M185 PolarHBondContact O-N 3.4Å; I182-L186 PolarHBondContact O-N 3.23Å; I182-L204 HydrophobicContact CD1-CD1 4.29Å; I182-L204 HydrophobicContact CD1-CD2 3.55Å; I182-F206 HydrophobicContact CB-CE1 4.09Å; I182-F206 HydrophobicContact CB-CE2 3.82Å; I182-F206 HydrophobicContact CB-CZ 3.55Å; I182-F206 HydrophobicContact CD1-CD1 4.03Å; I182-F206 HydrophobicContact CD1-CD2 4.45Å; I182-F206 HydrophobicContact CD1-CE1 4.03Å; I182-F206 HydrophobicContact CD1-CE2 4.45Å; I182-F206 HydrophobicContact CD1-CG 4.27Å; I182-F206 HydrophobicContact CD1-CZ 4.26Å; I182-F206 HydrophobicContact CG1-CD1 4.39Å; I182-F206 HydrophobicContact CG1-CE1 3.87Å; I182-F206 HydrophobicContact CG1-CE2 4.39Å; I182-F206 HydrophobicContact CG1-CZ 3.89Å; I182-F206 HydrophobicContact CG2-CZ 3.96Å; I182-L215 HydrophobicContact CG2-CB 4.01Å; I182-L215 HydrophobicContact CG2-CD1 4.3Å; I182-L220 HydrophobicContact CD1-CD1 3.92Å; I182-L220 HydrophobicContact CD1-CD2 4.23Å; I182-L220 HydrophobicContact CG1-CD1 4.14Å
183T98.2Very high98.2Very high13 Ų1310.9 Ų10.98%0.087%0.073CC..Hα-helixtrans-67.5-37-16956.90000114.8T93 V95 M185 L186 Q187T93-T183 WeakPolarHBondContact O-CB 3.5Å; T93-T183 PolarHBondContact O-OG1 2.93Å; V95-T183 HydrophobicContact CG1-CG2 3.87Å; T183-M185 VanDerWaalsContact C-N 3.29Å; T183-M185 PolarHBondContact O-N 3.28Å; T183-L186 PolarHBondContact O-N 3.44Å; T183-Q187 PolarHBondContact O-N 3.07Å
184P98.6Very high98.1Very high7 Ų716.6 Ų16.65%0.04510%0.098CC..Hα-helixtrans-60.8-37.1168.2-19.731000113.3G181 L188 C272 F299G181-P184 WeakPolarHBondContact O-CD 3.39Å; P184-L188 PolarHBondContact O-N 2.77Å; P184-C272 HydrophobicContact CG-CB 4.4Å; P184-F299 HydrophobicContact CB-CD1 3.83Å; P184-F299 HydrophobicContact CB-CD2 3.92Å; P184-F299 HydrophobicContact CB-CE1 3.83Å; P184-F299 HydrophobicContact CB-CE2 3.9Å; P184-F299 HydrophobicContact CB-CG 3.87Å; P184-F299 HydrophobicContact CB-CZ 3.86Å; P184-F299 HydrophobicContact CG-CB 4.47Å; P184-F299 HydrophobicContact CG-CD1 4.37Å; P184-F299 HydrophobicContact CG-CG 4.23Å
185M98.8Very high98.1Very high0 Ų019 Ų190%011%0.111CC..Hα-helixtrans-69.7-45.7179-52.7-52.1171.300110.7M175 A177 I182 T183 Q187 L188 I189 L204 L270 M271 C272 F299M175-M185 HydrophobicContact CB-CG 4.22Å; M175-M185 HydrophobicContact CB-SD 3.87Å; M175-M185 HydrophobicContact CG-SD 3.96Å; M175-M185 HydrophobicContact SD-CB 3.96Å; M175-M185 HydrophobicContact SD-CG 4.49Å; M175-M185 HydrophobicContact SD-SD 4.22Å; A177-M185 HydrophobicContact CB-CG 4.11Å; I182-M185 HydrophobicContact CD1-CB 4.35Å; I182-M185 CarbonylContact O-C 3.53Å; I182-M185 WeakPolarHBondContact O-CA 3.35Å; I182-M185 WeakPolarHBondContact O-CB 3.4Å; I182-M185 PolarHBondContact O-N 3.4Å; T183-M185 VanDerWaalsContact C-N 3.29Å; T183-M185 PolarHBondContact O-N 3.28Å; M185-Q187 VanDerWaalsContact C-N 3.31Å; M185-Q187 PolarHBondContact O-N 3.33Å; M185-L188 WeakPolarHBondContact O-CB 3.36Å; M185-L188 PolarHBondContact O-N 3.17Å; M185-L188 VanDerWaalsContact O-N 3.16Å; M185-I189 HydrophobicContact CB-CD1 4.28Å; M185-I189 WeakPolarHBondContact O-CB 3.48Å; M185-I189 WeakPolarHBondContact O-CD1 3.45Å; M185-I189 WeakPolarHBondContact O-CG1 3.41Å; M185-I189 PolarHBondContact O-N 3.39Å; M185-L204 HydrophobicContact CB-CD1 4.32Å; M185-L204 HydrophobicContact CG-CD1 4.35Å; M185-L270 HydrophobicContact CE-CB 4.06Å; M185-L270 HydrophobicContact SD-CB 4.02Å; M185-M271 VanDerWaalsContact CE-C 3.47Å; M185-C272 HydrophobicContact CE-CB 3.74Å; M185-F299 HydrophobicContact CE-CD2 3.9Å; M185-F299 HydrophobicContact CE-CE2 3.9Å; M185-F299 HydrophobicContact SD-CE2 4.05Å
186L98.6Very high98Very high13 Ų1323.7 Ų23.77%0.06814%0.141CC..Hα-helixtrans-60.9-40.5178.1-176.962.3000111.4V95 I182 T183 L188 I189 T190 L216 L220 I223V95-L186 HydrophobicContact CG1-CD2 4.28Å; I182-L186 PolarHBondContact O-N 3.23Å; T183-L186 PolarHBondContact O-N 3.44Å; L186-L188 VanDerWaalsContact C-N 3.3Å; L186-L188 PolarHBondContact O-N 3.47Å; L186-I189 PolarHBondContact O-N 3.35Å; L186-T190 WeakPolarHBondContact O-CB 3.4Å; L186-T190 PolarHBondContact O-N 2.95Å; L186-T190 PolarHBondContact O-OG1 2.87Å; L186-L216 HydrophobicContact CD2-CD1 3.47Å; L186-L216 VanDerWaalsContact CD2-CD1 3.47Å; L186-L220 HydrophobicContact CD1-CD2 4.12Å; L186-I223 HydrophobicContact CD1-CD1 3.7Å
187Q98.6Very high98Very high14 Ų1429.9 Ų29.97%0.06517%0.17CC..Hα-helixtrans-57.3-44175.6-168.4-169.156.300111.8I73 Q75 T93 T183 M185 A191I73-Q187 HydrophobicContact CD1-CG 4.26Å; I73-Q187 HydrophobicContact CG2-CG 4.37Å; Q75-Q187 PolarHBondContact O-NE2 3.06Å; Q75-Q187 PolarHBondContact O-OE1 3.21Å; T93-Q187 HydrophobicContact CG2-CB 4.1Å; T93-Q187 HydrophobicContact CG2-CG 4.41Å; T183-Q187 PolarHBondContact O-N 3.07Å; M185-Q187 VanDerWaalsContact C-N 3.31Å; M185-Q187 PolarHBondContact O-N 3.33Å; Q187-A191 WeakPolarHBondContact O-CB 3.17Å; Q187-A191 PolarHBondContact O-N 2.82Å
188L98.8Very high97.9Very high0 Ų030 Ų300%017%0.171CC..Hα-helixtrans-68.4-47.4176.2-73.5167.6000112.3I73 L147 Y149 F155 M175 P184 M185 L186 T190 A191 I192 L270 F299I73-L188 HydrophobicContact CG2-CD2 3.75Å; I73-L188 HydrophobicContact CG2-CG 4.42Å; L147-L188 HydrophobicContact CD2-CD2 4.48Å; Y149-L188 VanDerWaalsContact CB-CD2 3.48Å; Y149-L188 HydrophobicContact CD1-CD2 4.41Å; Y149-L188 HydrophobicContact CD2-CD2 4.43Å; Y149-L188 HydrophobicContact CG-CD2 3.88Å; F155-L188 HydrophobicContact CE1-CD2 4.09Å; M175-L188 HydrophobicContact CE-CB 4.05Å; M175-L188 HydrophobicContact CE-CD1 4.49Å; P184-L188 PolarHBondContact O-N 2.77Å; M185-L188 WeakPolarHBondContact O-CB 3.36Å; M185-L188 PolarHBondContact O-N 3.17Å; M185-L188 VanDerWaalsContact O-N 3.16Å; L186-L188 VanDerWaalsContact C-N 3.3Å; L186-L188 PolarHBondContact O-N 3.47Å; L188-T190 PolarHBondContact O-N 3Å; L188-A191 PolarHBondContact O-N 3.09Å; L188-I192 WeakPolarHBondContact O-CB 3.25Å; L188-I192 VanDerWaalsContact O-CG1 3.24Å; L188-I192 WeakPolarHBondContact O-CG1 3.37Å; L188-I192 PolarHBondContact O-N 3.19Å; L188-L270 HydrophobicContact CD1-CD1 3.3Å; L188-F299 HydrophobicContact CD1-CE2 4.42Å; L188-F299 HydrophobicContact CD1-CZ 3.88Å
189I98.8Very high98Very high0 Ų036.2 Ų36.20%020%0.198CC..Hα-helixtrans-57.8-50.5179.9-68.2159000109.7M175 M185 L186 A191 I192 M193 C202 L204 L220 I223 F231M175-I189 HydrophobicContact CE-CG1 3.97Å; M175-I189 HydrophobicContact SD-CD1 3.76Å; M175-I189 HydrophobicContact SD-CG1 3.63Å; M185-I189 HydrophobicContact CB-CD1 4.28Å; M185-I189 WeakPolarHBondContact O-CB 3.48Å; M185-I189 WeakPolarHBondContact O-CD1 3.45Å; M185-I189 WeakPolarHBondContact O-CG1 3.41Å; M185-I189 PolarHBondContact O-N 3.39Å; L186-I189 PolarHBondContact O-N 3.35Å; I189-A191 VanDerWaalsContact C-N 3.34Å; I189-A191 PolarHBondContact O-N 3Å; I189-I192 PolarHBondContact O-N 2.99Å; I189-M193 HydrophobicContact CG2-CG 4.09Å; I189-M193 WeakPolarHBondContact O-CB 3.23Å; I189-M193 VanDerWaalsContact O-CG 3.26Å; I189-M193 WeakPolarHBondContact O-CG 3.44Å; I189-M193 PolarHBondContact O-N 3.28Å; I189-C202 HydrophobicContact CG1-CB 4.3Å; I189-L204 HydrophobicContact CD1-CD2 4.14Å; I189-L220 HydrophobicContact CD1-CD2 4.5Å; I189-I223 HydrophobicContact CG2-CD1 4.26Å; I189-I223 HydrophobicContact CG2-CG2 3.77Å; I189-F231 HydrophobicContact CD1-CD2 4.42Å; I189-F231 HydrophobicContact CD1-CE2 3.51Å; I189-F231 HydrophobicContact CD1-CZ 3.81Å; I189-F231 HydrophobicContact CG1-CD2 4.4Å; I189-F231 HydrophobicContact CG1-CE2 3.96Å; I189-F231 HydrophobicContact CG2-CD2 4.15Å; I189-F231 HydrophobicContact CG2-CE2 4.12Å; I189-F231 HydrophobicContact CG2-CG 4.4Å; I189-F231 HydrophobicContact CG2-CZ 4.32Å
190T98.1Very high98.1Very high63 Ų6335.4 Ų35.439%0.38719%0.19SC..Hα-helixtrans-60-43.2179.5-61.10000111.6L186 L188 K194L186-T190 WeakPolarHBondContact O-CB 3.4Å; L186-T190 PolarHBondContact O-N 2.95Å; L186-T190 PolarHBondContact O-OG1 2.87Å; L188-T190 PolarHBondContact O-N 3Å; T190-K194 WeakPolarHBondContact O-CB 3.46Å; T190-K194 PolarHBondContact O-N 3.23Å
191A98.4Very high98.3Very high26 Ų2634.2 Ų34.222%0.21518%0.182CC..Hα-helixtrans-62.6-44.1177.800000112.5I73 Q187 L188 I189I73-A191 HydrophobicContact CD1-CB 4.2Å; I73-A191 HydrophobicContact CG1-CB 4.06Å; I73-A191 HydrophobicContact CG2-CB 3.8Å; Q187-A191 WeakPolarHBondContact O-CB 3.17Å; Q187-A191 PolarHBondContact O-N 2.82Å; L188-A191 PolarHBondContact O-N 3.09Å; I189-A191 VanDerWaalsContact C-N 3.34Å; I189-A191 PolarHBondContact O-N 3Å
192I98.7Very high98.4Very high0 Ų034.1 Ų34.10%018%0.181CC..Hα-helixtrans-66.9-48.9179.4-68.8166.9000110.9Y149 L188 I189 K194 D195 T200 C202 R230Y149-I192 HydrophobicContact CD1-CG1 4.37Å; Y149-I192 HydrophobicContact CE1-CD1 4.23Å; Y149-I192 HydrophobicContact CE1-CG1 3.49Å; Y149-I192 VanDerWaalsContact CE1-CG1 3.49Å; Y149-I192 HydrophobicContact CE2-CD1 4.47Å; Y149-I192 WeakPolarHBondContact OH-CG1 3.34Å; L188-I192 WeakPolarHBondContact O-CB 3.25Å; L188-I192 VanDerWaalsContact O-CG1 3.24Å; L188-I192 WeakPolarHBondContact O-CG1 3.37Å; L188-I192 PolarHBondContact O-N 3.19Å; I189-I192 PolarHBondContact O-N 2.99Å; I192-K194 VanDerWaalsContact C-N 3.27Å; I192-K194 PolarHBondContact O-N 3.04Å; I192-D195 PolarHBondContact O-N 3.35Å; I192-T200 HydrophobicContact CD1-CG2 4.1Å; I192-C202 WeakPolarHBondContact CD1-SG 3.47Å; I192-R230 PolarHBondContact O-NH1 2.58Å
193M98.5Very high98.4Very high9 Ų935.4 Ų35.44%0.04419%0.187CC..Hα-helixtrans-67.9-31.1-175.2-65-47.9137.800112.1I189 C202 I223 H227 R230 F231I189-M193 HydrophobicContact CG2-CG 4.09Å; I189-M193 WeakPolarHBondContact O-CB 3.23Å; I189-M193 VanDerWaalsContact O-CG 3.26Å; I189-M193 WeakPolarHBondContact O-CG 3.44Å; I189-M193 PolarHBondContact O-N 3.28Å; M193-C202 HydrophobicContact CE-CB 4.09Å; M193-I223 HydrophobicContact CG-CG2 3.85Å; M193-H227 HydrophobicContact CG-CB 4.37Å; M193-H227 HydrophobicContact SD-CB 3.7Å; M193-R230 HydrophobicContact CE-CB 3.93Å; M193-R230 VanDerWaalsContact CE-O 3.31Å; M193-R230 WeakPolarHBondContact CE-O 3.33Å; M193-R230 PolarHBondContact O-NH2 3.18Å; M193-R230 HydrophobicContact SD-CB 3.72Å; M193-F231 HydrophobicContact CE-CB 4.01Å; M193-F231 HydrophobicContact SD-CB 4.27Å
194K97.1Very high98.4Very high119 Ų11934.9 Ų34.952%0.51718%0.184SC..Hα-helixtrans-65.5-34.4177179174.2173.8173.40113.8D99 T190 I192 P196D99-K194 IonicContact OD1-NZ 3.42Å; D99-K194 PolarHBondContact OD1-NZ 2.67Å; D99-K194 IonicContact OD2-NZ 2.72Å; D99-K194 PolarHBondContact OD2-NZ 2.81Å; T190-K194 WeakPolarHBondContact O-CB 3.46Å; T190-K194 PolarHBondContact O-N 3.23Å; I192-K194 VanDerWaalsContact C-N 3.27Å; I192-K194 PolarHBondContact O-N 3.04Å; K194-P196 VanDerWaalsContact O-CD 3.27Å; K194-P196 WeakPolarHBondContact O-CD 3.32Å
195D97.9Very high98.5Very high50 Ų5034.5 Ų34.527%0.26718%0.181SC..  trans-86.9111176.3-177.53.4000110.1K152 I192 Q197 D198 R230K152-D195 WeakPolarHBondContact CE-OD2 3.49Å; I192-D195 PolarHBondContact O-N 3.35Å; D195-Q197 PolarHBondContact O-N 3.03Å; D195-Q197 VanDerWaalsContact OD1-CB 3.32Å; D195-Q197 WeakPolarHBondContact OD1-CB 3.43Å; D195-Q197 PolarHBondContact OD1-N 3.11Å; D195-D198 HydrophobicContact CB-CB 3.9Å; D195-D198 WeakPolarHBondContact O-CB 3.31Å; D195-D198 PolarHBondContact O-N 2.76Å; D195-D198 VanDerWaalsContact O-N 3.15Å; D195-R230 PolarHBondContact O-NH1 3.15Å
196P96.9Very high98.5Very high100 Ų10034.5 Ų34.565%0.64918%0.181SC*.THydrogen-bonded Turntrans-68-16.9177.529.2-35.8000113.2K194 D198 Q199K194-P196 VanDerWaalsContact O-CD 3.27Å; K194-P196 WeakPolarHBondContact O-CD 3.32Å; P196-D198 VanDerWaalsContact C-N 3.34Å; P196-Q199 PolarHBondContact O-NE2 2.83Å
197Q98.1Very high98.5Very high129 Ų12934.5 Ų34.560%0.60318%0.183SC*.THydrogen-bonded Turntrans-84.6-12.3175.9-58.7-172.7-14.900112.6D195 Q199D195-Q197 PolarHBondContact O-N 3.03Å; D195-Q197 VanDerWaalsContact OD1-CB 3.32Å; D195-Q197 WeakPolarHBondContact OD1-CB 3.43Å; D195-Q197 PolarHBondContact OD1-N 3.11Å; Q197-Q199 PolarHBondContact O-N 2.87Å
198D98.5Very high98.4Very high2 Ų234.2 Ų34.21%0.01118%0.182CC..  trans-80.7115.1177.8-158.7-38000110.5Y149 K152 D195 P196 T200 R230Y149-D198 PolarHBondContact OH-OD1 3.44Å; Y149-D198 PolarHBondContact OH-OD2 3.05Å; K152-D198 VanDerWaalsContact CA-OD2 3.3Å; K152-D198 WeakPolarHBondContact CA-OD2 3.4Å; K152-D198 PolarHBondContact N-OD2 3.32Å; D195-D198 HydrophobicContact CB-CB 3.9Å; D195-D198 WeakPolarHBondContact O-CB 3.31Å; D195-D198 PolarHBondContact O-N 2.76Å; D195-D198 VanDerWaalsContact O-N 3.15Å; P196-D198 VanDerWaalsContact C-N 3.34Å; D198-T200 VanDerWaalsContact C-N 3.34Å; D198-T200 WeakPolarHBondContact OD1-CB 3.21Å; D198-T200 PolarHBondContact OD1-N 2.84Å; D198-T200 PolarHBondContact OD1-OG1 3.16Å; D198-R230 WeakPolarHBondContact O-CD 3.31Å; D198-R230 PolarHBondContact O-NH1 3.04Å
199Q98.3Very high98.2Very high136 Ų13638.4 Ų38.464%0.63620%0.201SC*.  trans-95.610.9-178.7-57.6-55.7-5700112.6P196 Q197 V201P196-Q199 PolarHBondContact O-NE2 2.83Å; Q197-Q199 PolarHBondContact O-N 2.87Å; Q199-V201 PolarHBondContact O-N 3.04Å
200T98.8Very high98Very high3 Ų339 Ų392%0.01821%0.206CC..PPolyproline II helixtrans-64.3130.6178.6-49.10000110.4Y149 G153 K171 V173 I192 D198Y149-T200 PolarHBondContact OH-OG1 2.77Å; G153-T200 VanDerWaalsContact CA-OG1 3.25Å; G153-T200 WeakPolarHBondContact CA-OG1 3.48Å; G153-T200 PolarHBondContact N-OG1 2.84Å; G153-T200 VanDerWaalsContact N-OG1 3.11Å; K171-T200 WeakPolarHBondContact O-CA 3.31Å; V173-T200 HydrophobicContact CG2-CG2 3.53Å; I192-T200 HydrophobicContact CD1-CG2 4.1Å; D198-T200 VanDerWaalsContact C-N 3.34Å; D198-T200 WeakPolarHBondContact OD1-CB 3.21Å; D198-T200 PolarHBondContact OD1-N 2.84Å; D198-T200 PolarHBondContact OD1-OG1 3.16Å
201V98.9Very high97.8Very high32 Ų3239.4 Ų39.419%0.19420%0.203CC..EExtended strand (participates in β ladder)trans-99.7124.2175.1-175.30000109.8K171 Q172 V173 Q199 R230 K232K171-V201 PolarHBondContact O-N 3.39Å; Q172-V201 CarbonylContact C-O 3.16Å; Q172-V201 VanDerWaalsContact CA-O 3.31Å; Q172-V201 WeakPolarHBondContact CA-O 3.5Å; Q172-V201 HydrophobicContact CG-CB 4.4Å; V173-V201 PolarHBondContact N-O 3.45Å; Q199-V201 PolarHBondContact O-N 3.04Å; V201-R230 CarbonylContact C-O 3.44Å; V201-R230 WeakPolarHBondContact CA-O 3.47Å; V201-K232 HydrophobicContact CG1-CG 4.44Å
202C98.9Very high97.5Very high0 Ų045.1 Ų45.10%022%0.223CC..EExtended strand (participates in β ladder)trans-100.5130178.7-67.10000110.9V173 M175 I189 I192 M193 R230 F231 K232V173-C202 WeakPolarHBondContact O-CA 3.48Å; M175-C202 HydrophobicContact CE-CB 4.03Å; M175-C202 WeakPolarHBondContact CE-SG 3.46Å; M175-C202 HydrophobicContact SD-CB 4.44Å; I189-C202 HydrophobicContact CG1-CB 4.3Å; I192-C202 WeakPolarHBondContact CD1-SG 3.47Å; M193-C202 HydrophobicContact CE-CB 4.09Å; C202-R230 PolarHBondContact N-O 3.11Å; C202-F231 HydrophobicContact CB-CD2 3.85Å; C202-F231 HydrophobicContact CB-CE2 4.44Å; C202-F231 CarbonylContact O-C 3.6Å; C202-F231 WeakPolarHBondContact O-CA 3.27Å; C202-K232 PolarHBondContact O-N 2.88Å
203H98.9Very high97.2Very high28 Ų2845.7 Ų45.713%0.1323%0.226CC..EExtended strand (participates in β ladder)trans-117106.6174.9-70.1-114.8000109.1V173 G174 M175 K232 R259 L260 P261V173-H203 PolarHBondContact O-N 3.43Å; G174-H203 CarbonylContact C-O 3.59Å; M175-H203 PolarHBondContact N-O 3.32Å; H203-K232 CarbonylContact C-O 3.5Å; H203-K232 WeakPolarHBondContact CA-O 3.5Å; H203-R259 PolarHBondContact ND1-O 2.83Å; H203-L260 HydrophobicContact CB-CD2 4.35Å; H203-P261 HydrophobicContact CB-CG 4.28Å
204L98.9Very high97Very high1 Ų146 Ų461%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-100.9119.3179.9179.863.7000111.3M175 A177 I182 M185 I189 F206 L220 F231 K232 L233 W234M175-L204 HydrophobicContact CB-CB 4.48Å; M175-L204 HydrophobicContact CB-CD1 3.72Å; M175-L204 WeakPolarHBondContact O-CA 3.41Å; A177-L204 HydrophobicContact CB-CD1 4.01Å; I182-L204 HydrophobicContact CD1-CD1 4.29Å; I182-L204 HydrophobicContact CD1-CD2 3.55Å; M185-L204 HydrophobicContact CB-CD1 4.32Å; M185-L204 HydrophobicContact CG-CD1 4.35Å; I189-L204 HydrophobicContact CD1-CD2 4.14Å; L204-F206 HydrophobicContact CD1-CB 4.42Å; L204-F206 HydrophobicContact CD2-CB 4.28Å; L204-F206 HydrophobicContact CG-CB 4.1Å; L204-L220 HydrophobicContact CD2-CD1 4.27Å; L204-L220 HydrophobicContact CD2-CD2 3.87Å; L204-F231 HydrophobicContact CB-CE2 3.73Å; L204-F231 HydrophobicContact CB-CZ 4.05Å; L204-F231 HydrophobicContact CD2-CE2 4.43Å; L204-F231 HydrophobicContact CD2-CZ 4.04Å; L204-K232 PolarHBondContact N-O 3.01Å; L204-L233 HydrophobicContact CB-CD1 4.19Å; L204-L233 HydrophobicContact CD2-CD1 3.71Å; L204-L233 HydrophobicContact CG-CD1 4.11Å; L204-W234 PolarHBondContact O-N 2.85Å
205L98.9Very high96.9Very high0 Ų040.8 Ų40.80%021%0.206CC..EExtended strand (participates in β ladder)trans-104.2107.5164.917959000108.8M175 I176 A177 W234 I251 M255 L260M175-L205 PolarHBondContact O-N 2.97Å; I176-L205 WeakPolarHBondContact CA-O 3.24Å; A177-L205 PolarHBondContact N-O 2.87Å; L205-W234 WeakPolarHBondContact CA-O 3.22Å; L205-W234 HydrophobicContact CD1-CB 4.31Å; L205-W234 HydrophobicContact CD1-CG 4.46Å; L205-I251 HydrophobicContact CD1-CD1 4.3Å; L205-I251 HydrophobicContact CD2-CD1 3.54Å; L205-I251 HydrophobicContact CD2-CG2 4.18Å; L205-I251 HydrophobicContact CG-CD1 3.56Å; L205-M255 HydrophobicContact CD1-CB 4.35Å; L205-M255 HydrophobicContact CD2-CB 3.81Å; L205-L260 HydrophobicContact CB-CD2 4.06Å
206F98.8Very high96.7Very high0 Ų039 Ų390%020%0.196CC..EExtended strand (participates in β ladder)trans-113.4111.4-170.2-172.7-160.5000112.7A177 G179 I182 L204 N208 I214 L215 L220 W234 Y235 T236A177-F206 HydrophobicContact CB-CD2 3.6Å; A177-F206 HydrophobicContact CB-CE2 4.07Å; A177-F206 HydrophobicContact CB-CG 4.36Å; A177-F206 WeakPolarHBondContact O-CD2 3.4Å; G179-F206 WeakPolarHBondContact O-CE2 3.28Å; I182-F206 HydrophobicContact CB-CE1 4.09Å; I182-F206 HydrophobicContact CB-CE2 3.82Å; I182-F206 HydrophobicContact CB-CZ 3.55Å; I182-F206 HydrophobicContact CD1-CD1 4.03Å; I182-F206 HydrophobicContact CD1-CD2 4.45Å; I182-F206 HydrophobicContact CD1-CE1 4.03Å; I182-F206 HydrophobicContact CD1-CE2 4.45Å; I182-F206 HydrophobicContact CD1-CG 4.27Å; I182-F206 HydrophobicContact CD1-CZ 4.26Å; I182-F206 HydrophobicContact CG1-CD1 4.39Å; I182-F206 HydrophobicContact CG1-CE1 3.87Å; I182-F206 HydrophobicContact CG1-CE2 4.39Å; I182-F206 HydrophobicContact CG1-CZ 3.89Å; I182-F206 HydrophobicContact CG2-CZ 3.96Å; L204-F206 HydrophobicContact CD1-CB 4.42Å; L204-F206 HydrophobicContact CD2-CB 4.28Å; L204-F206 HydrophobicContact CG-CB 4.1Å; F206-N208 WeakPolarHBondContact CD2-ND2 3.48Å; F206-N208 WeakPolarHBondContact CE1-ND2 3.37Å; F206-N208 VanDerWaalsContact CE2-ND2 3.32Å; F206-N208 WeakPolarHBondContact CE2-ND2 3.5Å; F206-N208 VanDerWaalsContact CZ-ND2 3.31Å; F206-N208 WeakPolarHBondContact CZ-ND2 3.48Å; F206-I214 HydrophobicContact CD1-CG2 4.12Å; F206-I214 HydrophobicContact CE1-CG2 3.82Å; F206-L215 WeakPolarHBondContact CE1-O 3.35Å; F206-L215 HydrophobicContact CZ-CB 4.35Å; F206-L220 HydrophobicContact CD1-CD1 3.88Å; F206-L220 HydrophobicContact CE1-CD1 4.01Å; F206-W234 PolarHBondContact N-O 2.91Å; F206-Y235 HydrophobicContact CB-CD1 4.09Å; F206-Y235 HydrophobicContact CD1-CD1 4.1Å; F206-Y235 AromaticContact CD1-CE1 3.94Å; F206-Y235 HydrophobicContact CD1-CE1 3.94Å; F206-Y235 HydrophobicContact CG-CD1 4.49Å; F206-Y235 WeakPolarHBondContact O-CA 3.39Å; F206-T236 PolarHBondContact O-N 3.35Å
207A98.6Very high96.6Very high12 Ų1237.1 Ų37.110%0.09918%0.176CC..EExtended strand (participates in β ladder)trans-94.2132.2-179.400000113A177 G178 G179 T236 I251 M277A177-A207 PolarHBondContact O-N 2.9Å; G178-A207 WeakPolarHBondContact CA-O 3.33Å; G179-A207 PolarHBondContact N-O 2.98Å; A207-T236 WeakPolarHBondContact CA-O 3.36Å; A207-T236 HydrophobicContact CB-CG2 3.64Å; A207-I251 HydrophobicContact CB-CD1 4Å; A207-I251 HydrophobicContact CB-CG1 4.27Å; A207-M277 HydrophobicContact CB-CE 4.07Å
208N97.3Very high96.4Very high9 Ų937 Ų375%0.04818%0.18CC..EExtended strand (participates in β ladder)trans-138.3169174.8-68.5-78.5000111.2G179 F206 D213 I214 T236 V237 D238G179-N208 WeakPolarHBondContact CA-OD1 3.24Å; F206-N208 WeakPolarHBondContact CD2-ND2 3.48Å; F206-N208 WeakPolarHBondContact CE1-ND2 3.37Å; F206-N208 VanDerWaalsContact CE2-ND2 3.32Å; F206-N208 WeakPolarHBondContact CE2-ND2 3.5Å; F206-N208 VanDerWaalsContact CZ-ND2 3.31Å; F206-N208 WeakPolarHBondContact CZ-ND2 3.48Å; N208-D213 HydrophobicContact CB-CB 4.22Å; N208-D213 PolarHBondContact OD1-O 2.93Å; N208-I214 HydrophobicContact CB-CG1 4.06Å; N208-T236 PolarHBondContact N-O 2.76Å; N208-V237 HydrophobicContact CB-CG1 4.39Å; N208-V237 CarbonylContact O-C 3.22Å; N208-V237 WeakPolarHBondContact O-CA 3.44Å; N208-D238 PolarHBondContact O-N 3.01Å
209Q94.3Very high96.3Very high87 Ų8741 Ų4141%0.40720%0.198SC..EExtended strand (participates in β ladder)trans-75.9-36.4179.6-65-172.415.200112.9D238 R239Q209-D238 WeakPolarHBondContact O-CB 3.4Å; Q209-D238 PolarHBondContact O-N 3.08Å; Q209-R239 PolarHBondContact O-N 3.11Å
210S94.5Very high96.3Very high13 Ų1334.6 Ų34.69%0.09117%0.168CC..EExtended strand (participates in β ladder)trans-151.4169.2176.6690000109.8K212 D213S210-K212 VanDerWaalsContact C-N 3.3Å; S210-K212 PolarHBondContact O-N 3.36Å; S210-K212 WeakPolarHBondContact OG-CG 3.29Å; S210-D213 PolarHBondContact N-OD2 2.91Å; S210-D213 WeakPolarHBondContact O-CB 3.5Å; S210-D213 PolarHBondContact O-N 3.46Å; S210-D213 PolarHBondContact OG-OD2 3Å
211E95.3Very high96.3Very high72 Ų7236.8 Ų36.834%0.33618%0.18SC..G310 helixtrans-57-42-179.3-176.9179-151.700112.8D213 I214 R217 P241 W244E211-D213 PolarHBondContact O-N 3.41Å; E211-D213 VanDerWaalsContact O-N 3.15Å; E211-I214 HydrophobicContact CG-CD1 4.37Å; E211-I214 WeakPolarHBondContact O-CB 3.3Å; E211-I214 VanDerWaalsContact O-CG1 3.26Å; E211-I214 WeakPolarHBondContact O-CG1 3.23Å; E211-I214 PolarHBondContact O-N 3.45Å; E211-I214 VanDerWaalsContact O-N 3.14Å; E211-R217 IonicContact OE1-CZ 3.51Å; E211-R217 IonicContact OE1-NH1 2.77Å; E211-R217 PolarHBondContact OE1-NH1 2.95Å; E211-R217 IonicContact OE1-NH2 3.83Å; E211-P241 WeakPolarHBondContact OE2-CG 3.31Å; E211-W244 HydrophobicContact CB-CZ3 4.31Å; E211-W244 HydrophobicContact CG-CE3 4.45Å; E211-W244 HydrophobicContact CG-CH2 4.44Å; E211-W244 HydrophobicContact CG-CZ3 3.81Å
212K91.8Very high96.2Very high145 Ų14541.1 Ų41.163%0.6320%0.198SC*.G310 helixtrans-67.5-11.8177.762.9166.9-175.2176.40114.4S210S210-K212 VanDerWaalsContact C-N 3.3Å; S210-K212 PolarHBondContact O-N 3.36Å; S210-K212 WeakPolarHBondContact OG-CG 3.29Å
213D91.4Very high96.2Very high12 Ų1242.5 Ų42.56%0.06421%0.205CC..G310 helixtrans-91-6177.4-68.9-69.7000112.6K109 N208 S210 E211 L215K109-D213 IonicContact NZ-OD1 2.72Å; K109-D213 PolarHBondContact NZ-OD1 2.76Å; N208-D213 HydrophobicContact CB-CB 4.22Å; N208-D213 PolarHBondContact OD1-O 2.93Å; S210-D213 PolarHBondContact N-OD2 2.91Å; S210-D213 WeakPolarHBondContact O-CB 3.5Å; S210-D213 PolarHBondContact O-N 3.46Å; S210-D213 PolarHBondContact OG-OD2 3Å; E211-D213 PolarHBondContact O-N 3.41Å; E211-D213 VanDerWaalsContact O-N 3.15Å; D213-L215 PolarHBondContact O-N 2.81Å
214I95.1Very high96.2Very high17 Ų1743.9 Ų43.99%0.08721%0.212CC..  trans-68.5107.6-179.8-58.7171.1000108.6F206 N208 E211 R217 Y235 V237 W244F206-I214 HydrophobicContact CD1-CG2 4.12Å; F206-I214 HydrophobicContact CE1-CG2 3.82Å; N208-I214 HydrophobicContact CB-CG1 4.06Å; E211-I214 HydrophobicContact CG-CD1 4.37Å; E211-I214 WeakPolarHBondContact O-CB 3.3Å; E211-I214 VanDerWaalsContact O-CG1 3.26Å; E211-I214 WeakPolarHBondContact O-CG1 3.23Å; E211-I214 PolarHBondContact O-N 3.45Å; E211-I214 VanDerWaalsContact O-N 3.14Å; I214-R217 HydrophobicContact CB-CB 4.3Å; I214-R217 HydrophobicContact CG2-CB 3.73Å; I214-R217 HydrophobicContact CG2-CG 4.11Å; I214-Y235 HydrophobicContact CD1-CD1 4.16Å; I214-Y235 HydrophobicContact CD1-CG 4.32Å; I214-Y235 HydrophobicContact CG2-CD1 4.11Å; I214-Y235 HydrophobicContact CG2-CE1 3.71Å; I214-V237 HydrophobicContact CD1-CG1 4.33Å; I214-V237 HydrophobicContact CG1-CG1 4.5Å; I214-W244 HydrophobicContact CD1-CH2 3.68Å; I214-W244 HydrophobicContact CD1-CZ2 4.42Å; I214-W244 HydrophobicContact CD1-CZ3 4.49Å
215L94Very high96.1Very high9 Ų947.3 Ų47.35%0.04724%0.24CC..THydrogen-bonded Turntrans-73.4134.9176.8-64.3-179.4000110.3T55 T180 I182 F206 D213 R217T55-L215 HydrophobicContact CG2-CD2 3.63Å; T55-L215 WeakPolarHBondContact OG1-CD2 3.27Å; T180-L215 HydrophobicContact CG2-CD1 3.9Å; I182-L215 HydrophobicContact CG2-CB 4.01Å; I182-L215 HydrophobicContact CG2-CD1 4.3Å; F206-L215 WeakPolarHBondContact CE1-O 3.35Å; F206-L215 HydrophobicContact CZ-CB 4.35Å; D213-L215 PolarHBondContact O-N 2.81Å; L215-R217 PolarHBondContact O-N 2.67Å
216L93.6Very high96.1Very high12 Ų1252.1 Ų52.16%0.06327%0.266CS..THydrogen-bonded Turntrans59.436.2173.3-54167.5000112.8V95 V107 L186 E219 L220V95-L216 HydrophobicContact CG1-CD1 4.1Å; V107-L216 HydrophobicContact CB-CD1 4.46Å; V107-L216 HydrophobicContact CG1-CD1 4.32Å; V107-L216 HydrophobicContact CG1-CD2 4.2Å; V107-L216 HydrophobicContact CG1-CG 4.31Å; V107-L216 HydrophobicContact CG2-CD1 4.47Å; V107-L216 HydrophobicContact CG2-CD2 4.05Å; L186-L216 HydrophobicContact CD2-CD1 3.47Å; L186-L216 VanDerWaalsContact CD2-CD1 3.47Å; L216-E219 WeakPolarHBondContact CA-OE2 3.08Å; L216-E219 HydrophobicContact CB-CB 4.49Å; L216-L220 WeakPolarHBondContact O-CB 3.36Å; L216-L220 WeakPolarHBondContact O-CD1 3.28Å; L216-L220 WeakPolarHBondContact O-CG 3.42Å; L216-L220 PolarHBondContact O-N 2.75Å
217R95.6Very high96.1Very high61 Ų6155 Ų5523%0.2328%0.279CS..Hα-helixtrans-60.5-53-176.7-177.5175.6179.6174.10.3111.2E211 I214 L215 E219 L220 D221E211-R217 IonicContact OE1-CZ 3.51Å; E211-R217 IonicContact OE1-NH1 2.77Å; E211-R217 PolarHBondContact OE1-NH1 2.95Å; E211-R217 IonicContact OE1-NH2 3.83Å; I214-R217 HydrophobicContact CB-CB 4.3Å; I214-R217 HydrophobicContact CG2-CB 3.73Å; I214-R217 HydrophobicContact CG2-CG 4.11Å; L215-R217 PolarHBondContact O-N 2.67Å; R217-E219 VanDerWaalsContact C-N 3.27Å; R217-E219 PolarHBondContact O-N 3.32Å; R217-L220 PolarHBondContact O-N 3.25Å; R217-L220 VanDerWaalsContact O-N 3.1Å; R217-D221 WeakPolarHBondContact CG-OD2 3.45Å; R217-D221 IonicContact NE-OD2 3.49Å; R217-D221 PolarHBondContact NE-OD2 2.95Å; R217-D221 WeakPolarHBondContact O-CB 3.3Å; R217-D221 PolarHBondContact O-N 3.07Å
218D94.9Very high96.1Very high127 Ų12757.6 Ų57.668%0.67930%0.295SS*.Hα-helixtrans-60.6-41-175.3-61.7-14000110.7D221 E222D218-D221 PolarHBondContact O-N 3.35Å; D218-E222 VanDerWaalsContact O-CB 3.31Å; D218-E222 WeakPolarHBondContact O-CB 3.3Å; D218-E222 PolarHBondContact O-N 2.74Å
219E95.1Very high96.1Very high86 Ų8663.4 Ų63.440%0.40233%0.326SS..Hα-helixtrans-64.3-41.6175.9-62.990156.900112.3L216 R217 I223L216-E219 WeakPolarHBondContact CA-OE2 3.08Å; L216-E219 HydrophobicContact CB-CB 4.49Å; R217-E219 VanDerWaalsContact C-N 3.27Å; R217-E219 PolarHBondContact O-N 3.32Å; E219-I223 WeakPolarHBondContact O-CD1 3.24Å; E219-I223 WeakPolarHBondContact O-CG1 3.37Å; E219-I223 PolarHBondContact O-N 3.24Å
220L98.3Very high96.3Very high0 Ų061 Ų610%031%0.313CS..Hα-helixtrans-68.1-43.2177.5-68.8166.3000111.8I182 L186 I189 L204 F206 L216 R217 E222 I223 Q224 F231 L233I182-L220 HydrophobicContact CD1-CD1 3.92Å; I182-L220 HydrophobicContact CD1-CD2 4.23Å; I182-L220 HydrophobicContact CG1-CD1 4.14Å; L186-L220 HydrophobicContact CD1-CD2 4.12Å; I189-L220 HydrophobicContact CD1-CD2 4.5Å; L204-L220 HydrophobicContact CD2-CD1 4.27Å; L204-L220 HydrophobicContact CD2-CD2 3.87Å; F206-L220 HydrophobicContact CD1-CD1 3.88Å; F206-L220 HydrophobicContact CE1-CD1 4.01Å; L216-L220 WeakPolarHBondContact O-CB 3.36Å; L216-L220 WeakPolarHBondContact O-CD1 3.28Å; L216-L220 WeakPolarHBondContact O-CG 3.42Å; L216-L220 PolarHBondContact O-N 2.75Å; R217-L220 PolarHBondContact O-N 3.25Å; R217-L220 VanDerWaalsContact O-N 3.1Å; L220-E222 VanDerWaalsContact C-N 3.31Å; L220-E222 PolarHBondContact O-N 2.82Å; L220-I223 PolarHBondContact O-N 3.06Å; L220-Q224 PolarHBondContact O-N 2.83Å; L220-F231 HydrophobicContact CD2-CE1 4.37Å; L220-F231 HydrophobicContact CD2-CZ 4.02Å; L220-F231 WeakPolarHBondContact O-CE1 3.4Å; L220-L233 HydrophobicContact CB-CD1 4.39Å; L220-L233 HydrophobicContact CB-CD2 3.77Å
221D98.2Very high96.5Very high50 Ų5060.3 Ų60.327%0.26731%0.309SS..Hα-helixtrans-62.9-39.6176.9-77.4-26.3000110.6R217 D218 Q224 A225 L233 Y235R217-D221 WeakPolarHBondContact CG-OD2 3.45Å; R217-D221 IonicContact NE-OD2 3.49Å; R217-D221 PolarHBondContact NE-OD2 2.95Å; R217-D221 WeakPolarHBondContact O-CB 3.3Å; R217-D221 PolarHBondContact O-N 3.07Å; D218-D221 PolarHBondContact O-N 3.35Å; D221-Q224 PolarHBondContact O-N 3.4Å; D221-A225 WeakPolarHBondContact O-CB 3.32Å; D221-A225 PolarHBondContact O-N 2.83Å; D221-L233 WeakPolarHBondContact OD1-CD2 3.25Å; D221-Y235 PolarHBondContact OD1-OH 3.16Å; D221-Y235 VanDerWaalsContact OD1-OH 3.11Å
222E98.2Very high96.6Very high123 Ų12360.8 Ų60.858%0.57531%0.31SS*.Hα-helixtrans-63.9-45.9174.1-178.6176.5-170.600112.2D218 L220 Q224 A225 N226D218-E222 VanDerWaalsContact O-CB 3.31Å; D218-E222 WeakPolarHBondContact O-CB 3.3Å; D218-E222 PolarHBondContact O-N 2.74Å; L220-E222 VanDerWaalsContact C-N 3.31Å; L220-E222 PolarHBondContact O-N 2.82Å; E222-Q224 VanDerWaalsContact C-N 3.28Å; E222-Q224 PolarHBondContact O-N 2.88Å; E222-A225 PolarHBondContact O-N 2.85Å; E222-N226 WeakPolarHBondContact CG-ND2 3.42Å; E222-N226 WeakPolarHBondContact O-CB 3.17Å; E222-N226 PolarHBondContact O-N 3.01Å; E222-N226 PolarHBondContact O-ND2 2.84Å
223I98.4Very high97Very high29 Ų2954.3 Ų54.315%0.14928%0.282CS..Hα-helixtrans-60.6-41.1176.9-66.9163.6000110.4L186 I189 M193 E219 L220 N226 H227 F231L186-I223 HydrophobicContact CD1-CD1 3.7Å; I189-I223 HydrophobicContact CG2-CD1 4.26Å; I189-I223 HydrophobicContact CG2-CG2 3.77Å; M193-I223 HydrophobicContact CG-CG2 3.85Å; E219-I223 WeakPolarHBondContact O-CD1 3.24Å; E219-I223 WeakPolarHBondContact O-CG1 3.37Å; E219-I223 PolarHBondContact O-N 3.24Å; L220-I223 PolarHBondContact O-N 3.06Å; I223-N226 PolarHBondContact O-N 2.79Å; I223-H227 WeakPolarHBondContact O-CB 3.47Å; I223-H227 PolarHBondContact O-N 3.4Å; I223-F231 HydrophobicContact CB-CD1 4.05Å; I223-F231 HydrophobicContact CB-CE1 4.21Å; I223-F231 HydrophobicContact CG2-CB 4.39Å; I223-F231 HydrophobicContact CG2-CD1 3.55Å; I223-F231 HydrophobicContact CG2-CE1 4.05Å; I223-F231 HydrophobicContact CG2-CG 4.12Å
224Q98.4Very high97.3Very high57 Ų5756.4 Ų56.427%0.26629%0.289SS..Hα-helixtrans-62.9-46.7177.1171.8107-33.300110.7L220 D221 E222 N226 H227 P228 F231 K232 L233L220-Q224 PolarHBondContact O-N 2.83Å; D221-Q224 PolarHBondContact O-N 3.4Å; E222-Q224 VanDerWaalsContact C-N 3.28Å; E222-Q224 PolarHBondContact O-N 2.88Å; Q224-N226 VanDerWaalsContact C-N 3.28Å; Q224-N226 PolarHBondContact O-N 3.34Å; Q224-H227 CarbonylContact O-C 3.56Å; Q224-H227 PolarHBondContact O-N 2.89Å; Q224-P228 VanDerWaalsContact O-CA 3.28Å; Q224-P228 WeakPolarHBondContact O-CA 3.35Å; Q224-P228 WeakPolarHBondContact O-CD 3.43Å; Q224-P228 VanDerWaalsContact O-N 3.08Å; Q224-F231 HydrophobicContact CB-CD1 3.87Å; Q224-F231 HydrophobicContact CB-CE1 4.24Å; Q224-F231 VanDerWaalsContact OE1-C 3.27Å; Q224-F231 PolarHBondContact OE1-O 2.72Å; Q224-K232 VanDerWaalsContact OE1-C 3.31Å; Q224-L233 HydrophobicContact CB-CB 4.33Å; Q224-L233 HydrophobicContact CB-CD2 4.24Å; Q224-L233 VanDerWaalsContact CD-CB 3.49Å; Q224-L233 HydrophobicContact CG-CB 4.35Å
225A98.4Very high97.5Very high73 Ų7355.6 Ų55.660%0.60329%0.285SS*.Hα-helixtrans-62.1-37179.300000112.3D221 E222D221-A225 WeakPolarHBondContact O-CB 3.32Å; D221-A225 PolarHBondContact O-N 2.83Å; E222-A225 PolarHBondContact O-N 2.85Å
226N98.3Very high97.7Very high100 Ų10055.2 Ų55.254%0.53528%0.283SS..Hα-helixtrans-81.4-24.3-179.7-70.8-27.9000113.7E222 I223 Q224 P228E222-N226 WeakPolarHBondContact CG-ND2 3.42Å; E222-N226 WeakPolarHBondContact O-CB 3.17Å; E222-N226 PolarHBondContact O-N 3.01Å; E222-N226 PolarHBondContact O-ND2 2.84Å; I223-N226 PolarHBondContact O-N 2.79Å; Q224-N226 VanDerWaalsContact C-N 3.28Å; Q224-N226 PolarHBondContact O-N 3.34Å; N226-P228 VanDerWaalsContact C-CD 3.49Å
227H98.4Very high98Very high60 Ų6054.6 Ų54.628%0.27828%0.28SS..  trans-133.752.2-177.5-57.1-66.3000113.2M193 I223 Q224 D229 R230 F231M193-H227 HydrophobicContact CG-CB 4.37Å; M193-H227 HydrophobicContact SD-CB 3.7Å; I223-H227 WeakPolarHBondContact O-CB 3.47Å; I223-H227 PolarHBondContact O-N 3.4Å; Q224-H227 CarbonylContact O-C 3.56Å; Q224-H227 PolarHBondContact O-N 2.89Å; H227-D229 PolarHBondContact O-N 2.9Å; H227-R230 PolarHBondContact ND1-NH2 3.46Å; H227-R230 PolarHBondContact O-N 3.21Å; H227-F231 PolarHBondContact O-N 3.42Å
228P97.9Very high98Very high67 Ų6754.2 Ų54.244%0.43528%0.282SS..THydrogen-bonded Turntrans-63-23.7-170.426.4-36.1000113.1Q224 N226 K232Q224-P228 VanDerWaalsContact O-CA 3.28Å; Q224-P228 WeakPolarHBondContact O-CA 3.35Å; Q224-P228 WeakPolarHBondContact O-CD 3.43Å; Q224-P228 VanDerWaalsContact O-N 3.08Å; N226-P228 VanDerWaalsContact C-CD 3.49Å; P228-K232 WeakPolarHBondContact O-CE 3.45Å; P228-K232 PolarHBondContact O-NZ 2.8Å
229D97.8Very high98.1Very high132 Ų13254.6 Ų54.671%0.70627%0.274SS*.THydrogen-bonded Turntrans-79.7-30.1177.9-64.5-38.6000113.3H227H227-D229 PolarHBondContact O-N 2.9Å
230R98.4Very high98.2Very high35 Ų3551.9 Ų51.913%0.13227%0.266CS..THydrogen-bonded Turntrans-108.4-17.5-174.6-67-170.5-60.6158.96.3113.9I192 M193 D195 D198 V201 C202 H227I192-R230 PolarHBondContact O-NH1 2.58Å; M193-R230 HydrophobicContact CE-CB 3.93Å; M193-R230 VanDerWaalsContact CE-O 3.31Å; M193-R230 WeakPolarHBondContact CE-O 3.33Å; M193-R230 PolarHBondContact O-NH2 3.18Å; M193-R230 HydrophobicContact SD-CB 3.72Å; D195-R230 PolarHBondContact O-NH1 3.15Å; D198-R230 WeakPolarHBondContact O-CD 3.31Å; D198-R230 PolarHBondContact O-NH1 3.04Å; V201-R230 CarbonylContact C-O 3.44Å; V201-R230 WeakPolarHBondContact CA-O 3.47Å; C202-R230 PolarHBondContact N-O 3.11Å; H227-R230 PolarHBondContact ND1-NH2 3.46Å; H227-R230 PolarHBondContact O-N 3.21Å
231F98.8Very high98.1Very high0 Ų054.3 Ų54.30%028%0.282CS..EExtended strand (participates in β ladder)trans-122127.3175.1-172.8-135.4000110.2I189 M193 C202 L204 L220 I223 Q224 H227 L233I189-F231 HydrophobicContact CD1-CD2 4.42Å; I189-F231 HydrophobicContact CD1-CE2 3.51Å; I189-F231 HydrophobicContact CD1-CZ 3.81Å; I189-F231 HydrophobicContact CG1-CD2 4.4Å; I189-F231 HydrophobicContact CG1-CE2 3.96Å; I189-F231 HydrophobicContact CG2-CD2 4.15Å; I189-F231 HydrophobicContact CG2-CE2 4.12Å; I189-F231 HydrophobicContact CG2-CG 4.4Å; I189-F231 HydrophobicContact CG2-CZ 4.32Å; M193-F231 HydrophobicContact CE-CB 4.01Å; M193-F231 HydrophobicContact SD-CB 4.27Å; C202-F231 HydrophobicContact CB-CD2 3.85Å; C202-F231 HydrophobicContact CB-CE2 4.44Å; C202-F231 CarbonylContact O-C 3.6Å; C202-F231 WeakPolarHBondContact O-CA 3.27Å; L204-F231 HydrophobicContact CB-CE2 3.73Å; L204-F231 HydrophobicContact CB-CZ 4.05Å; L204-F231 HydrophobicContact CD2-CE2 4.43Å; L204-F231 HydrophobicContact CD2-CZ 4.04Å; L220-F231 HydrophobicContact CD2-CE1 4.37Å; L220-F231 HydrophobicContact CD2-CZ 4.02Å; L220-F231 WeakPolarHBondContact O-CE1 3.4Å; I223-F231 HydrophobicContact CB-CD1 4.05Å; I223-F231 HydrophobicContact CB-CE1 4.21Å; I223-F231 HydrophobicContact CG2-CB 4.39Å; I223-F231 HydrophobicContact CG2-CD1 3.55Å; I223-F231 HydrophobicContact CG2-CE1 4.05Å; I223-F231 HydrophobicContact CG2-CG 4.12Å; Q224-F231 HydrophobicContact CB-CD1 3.87Å; Q224-F231 HydrophobicContact CB-CE1 4.24Å; Q224-F231 VanDerWaalsContact OE1-C 3.27Å; Q224-F231 PolarHBondContact OE1-O 2.72Å; H227-F231 PolarHBondContact O-N 3.42Å; F231-L233 HydrophobicContact CE1-CB 4.08Å; F231-L233 HydrophobicContact CE1-CD1 4.43Å; F231-L233 HydrophobicContact CE1-CD2 4.19Å; F231-L233 HydrophobicContact CZ-CB 4.19Å; F231-L233 HydrophobicContact CZ-CD1 4.03Å
232K98.8Very high97.9Very high81 Ų8161.2 Ų61.235%0.35231%0.313SS..EExtended strand (participates in β ladder)trans-121.7114.3177.7-48.7-62.1179-179.70108.3V201 C202 H203 L204 Q224 P228V201-K232 HydrophobicContact CG1-CG 4.44Å; C202-K232 PolarHBondContact O-N 2.88Å; H203-K232 CarbonylContact C-O 3.5Å; H203-K232 WeakPolarHBondContact CA-O 3.5Å; L204-K232 PolarHBondContact N-O 3.01Å; Q224-K232 VanDerWaalsContact OE1-C 3.31Å; P228-K232 WeakPolarHBondContact O-CE 3.45Å; P228-K232 PolarHBondContact O-NZ 2.8Å
233L98.9Very high97.7Very high9 Ų962.8 Ų62.85%0.04733%0.325CS..EExtended strand (participates in β ladder)trans-111131.7-174.3-179.158.6000111.2L204 L220 D221 Q224 F231 Y235L204-L233 HydrophobicContact CB-CD1 4.19Å; L204-L233 HydrophobicContact CD2-CD1 3.71Å; L204-L233 HydrophobicContact CG-CD1 4.11Å; L220-L233 HydrophobicContact CB-CD1 4.39Å; L220-L233 HydrophobicContact CB-CD2 3.77Å; D221-L233 WeakPolarHBondContact OD1-CD2 3.25Å; Q224-L233 HydrophobicContact CB-CB 4.33Å; Q224-L233 HydrophobicContact CB-CD2 4.24Å; Q224-L233 VanDerWaalsContact CD-CB 3.49Å; Q224-L233 HydrophobicContact CG-CB 4.35Å; F231-L233 HydrophobicContact CE1-CB 4.08Å; F231-L233 HydrophobicContact CE1-CD1 4.43Å; F231-L233 HydrophobicContact CE1-CD2 4.19Å; F231-L233 HydrophobicContact CZ-CB 4.19Å; F231-L233 HydrophobicContact CZ-CD1 4.03Å; L233-Y235 HydrophobicContact CD1-CE1 3.98Å; L233-Y235 HydrophobicContact CD2-CE2 4.07Å; L233-Y235 VanDerWaalsContact CD2-OH 3.3Å; L233-Y235 WeakPolarHBondContact CD2-OH 3.2Å; L233-Y235 HydrophobicContact CG-CE1 4.33Å; L233-Y235 HydrophobicContact CG-CE2 4.05Å
234W98.9Very high97.6Very high56 Ų5663.1 Ų63.121%0.21233%0.325CS..EExtended strand (participates in β ladder)trans-141.8136.2173.9-159.1-96.8000111.1L204 L205 F206 Y246 S247 R259L204-W234 PolarHBondContact O-N 2.85Å; L205-W234 WeakPolarHBondContact CA-O 3.22Å; L205-W234 HydrophobicContact CD1-CB 4.31Å; L205-W234 HydrophobicContact CD1-CG 4.46Å; F206-W234 PolarHBondContact N-O 2.91Å; W234-Y246 HydrophobicContact CD2-CD1 4.03Å; W234-Y246 HydrophobicContact CE3-CD1 4.03Å; W234-Y246 HydrophobicContact CZ3-CD1 4.26Å; W234-S247 PolarHBondContact NE1-OG 2.91Å; W234-R259 HydrophobicContact CB-CB 4.2Å; W234-R259 HydrophobicContact CB-CG 4.16Å; W234-R259 HydrophobicContact CD2-CG 4.17Å; W234-R259 HydrophobicContact CG-CB 4.33Å; W234-R259 HydrophobicContact CG-CG 3.74Å; W234-R259 VanDerWaalsContact CH2-NH1 3.29Å
235Y98.9Very high97.5Very high0 Ų064.2 Ų64.20%034%0.343CS..EExtended strand (participates in β ladder)trans-105.4151.6179.1-57.9-72.4000111.6F206 I214 D221 L233 W244 Y246 S247F206-Y235 HydrophobicContact CB-CD1 4.09Å; F206-Y235 HydrophobicContact CD1-CD1 4.1Å; F206-Y235 AromaticContact CD1-CE1 3.94Å; F206-Y235 HydrophobicContact CD1-CE1 3.94Å; F206-Y235 HydrophobicContact CG-CD1 4.49Å; F206-Y235 WeakPolarHBondContact O-CA 3.39Å; I214-Y235 HydrophobicContact CD1-CD1 4.16Å; I214-Y235 HydrophobicContact CD1-CG 4.32Å; I214-Y235 HydrophobicContact CG2-CD1 4.11Å; I214-Y235 HydrophobicContact CG2-CE1 3.71Å; D221-Y235 PolarHBondContact OD1-OH 3.16Å; D221-Y235 VanDerWaalsContact OD1-OH 3.11Å; L233-Y235 HydrophobicContact CD1-CE1 3.98Å; L233-Y235 HydrophobicContact CD2-CE2 4.07Å; L233-Y235 VanDerWaalsContact CD2-OH 3.3Å; L233-Y235 WeakPolarHBondContact CD2-OH 3.2Å; L233-Y235 HydrophobicContact CG-CE1 4.33Å; L233-Y235 HydrophobicContact CG-CE2 4.05Å; Y235-W244 HydrophobicContact CD2-CH2 4.36Å; Y235-W244 HydrophobicContact CG-CH2 4.35Å; Y235-W244 HydrophobicContact CG-CZ2 4.44Å; Y235-Y246 AromaticContact CD2-CD1 3.89Å; Y235-Y246 HydrophobicContact CD2-CD1 3.89Å; Y235-Y246 AromaticContact CD2-CD2 3.9Å; Y235-Y246 HydrophobicContact CD2-CD2 3.9Å; Y235-Y246 AromaticContact CD2-CE1 3.63Å; Y235-Y246 HydrophobicContact CD2-CE1 3.63Å; Y235-Y246 AromaticContact CD2-CE2 3.67Å; Y235-Y246 HydrophobicContact CD2-CE2 3.67Å; Y235-Y246 HydrophobicContact CD2-CG 4.01Å; Y235-Y246 AromaticContact CD2-CZ 3.52Å; Y235-Y246 HydrophobicContact CE2-CE1 4.2Å; Y235-Y246 HydrophobicContact CE2-CE2 4.26Å; Y235-Y246 AromaticContact CE2-CZ 3.88Å; Y235-Y246 WeakPolarHBondContact O-CB 3.26Å; Y235-S247 PolarHBondContact O-N 3.23Å
236T98.8Very high97.6Very high1 Ų163.9 Ų63.91%0.00633%0.327CS..EExtended strand (participates in β ladder)trans-134.6144.4158.4-167.70000110.6F206 A207 N208 S247 G249 I251 M255F206-T236 PolarHBondContact O-N 3.35Å; A207-T236 WeakPolarHBondContact CA-O 3.36Å; A207-T236 HydrophobicContact CB-CG2 3.64Å; N208-T236 PolarHBondContact N-O 2.76Å; T236-S247 VanDerWaalsContact CA-O 3.28Å; T236-S247 WeakPolarHBondContact CA-O 3.46Å; T236-S247 PolarHBondContact OG1-O 3.13Å; T236-G249 WeakPolarHBondContact CG2-O 3.31Å; T236-G249 PolarHBondContact OG1-O 3.38Å; T236-I251 HydrophobicContact CG2-CD1 3.91Å; T236-M255 HydrophobicContact CG2-SD 4.05Å
237V98.4Very high97.6Very high0 Ų060.2 Ų60.20%031%0.309CS..EExtended strand (participates in β ladder)trans-130.5142.5177.2-64.50000111.7N208 I214 R239 A240 W244 S247 Q248 G249N208-V237 HydrophobicContact CB-CG1 4.39Å; N208-V237 CarbonylContact O-C 3.22Å; N208-V237 WeakPolarHBondContact O-CA 3.44Å; I214-V237 HydrophobicContact CD1-CG1 4.33Å; I214-V237 HydrophobicContact CG1-CG1 4.5Å; V237-R239 VanDerWaalsContact C-N 3.27Å; V237-R239 PolarHBondContact O-N 2.65Å; V237-A240 HydrophobicContact CG2-CB 3.88Å; V237-W244 HydrophobicContact CG1-CH2 4.49Å; V237-W244 HydrophobicContact CG1-CZ2 3.98Å; V237-W244 HydrophobicContact CG2-CD2 4.35Å; V237-W244 HydrophobicContact CG2-CZ2 4.18Å; V237-S247 PolarHBondContact N-O 3.15Å; V237-Q248 CarbonylContact O-C 3.57Å; V237-Q248 WeakPolarHBondContact O-CA 3.47Å; V237-Q248 WeakPolarHBondContact O-CG 3.31Å; V237-G249 PolarHBondContact O-N 3.47Å
238D96.8Very high97.6Very high52 Ų5263.2 Ų63.228%0.27832%0.324SS..EExtended strand (participates in β ladder)trans-60.3-42.7176.2-58.8-17.4000111N208 Q209 Q248 F250N208-D238 PolarHBondContact O-N 3.01Å; Q209-D238 WeakPolarHBondContact O-CB 3.4Å; Q209-D238 PolarHBondContact O-N 3.08Å; D238-Q248 PolarHBondContact O-NE2 3.5Å; D238-F250 VanDerWaalsContact OD1-CD1 3.28Å; D238-F250 WeakPolarHBondContact OD1-CD1 3.29Å; D238-F250 VanDerWaalsContact OD1-CE1 3.24Å; D238-F250 WeakPolarHBondContact OD1-CE1 3.37Å
239R96.4Very high97.6Very high135 Ų13561.2 Ų61.251%0.50932%0.315SS..EExtended strand (participates in β ladder)trans-121.599.5-178.4-63.1177.9-63.6-77.72.5109.5Q209 V237Q209-R239 PolarHBondContact O-N 3.11Å; V237-R239 VanDerWaalsContact C-N 3.27Å; V237-R239 PolarHBondContact O-N 2.65Å
240A96.8Very high97.6Very high29 Ų2961.9 Ų61.924%0.2431%0.312CS..  trans-80.2143.8179.200000111.8V237 W244 Q248V237-A240 HydrophobicContact CG2-CB 3.88Å; A240-W244 HydrophobicContact CB-CB 3.79Å; A240-W244 HydrophobicContact CB-CG 3.85Å; A240-Q248 HydrophobicContact CB-CB 4.08Å; A240-Q248 HydrophobicContact CB-CG 3.79Å
241P96.3Very high97.6Very high52 Ų5260.5 Ų60.534%0.33831%0.307SS..  trans-70167.5164.734.1-39.3000111.2E211 N243 W244E211-P241 WeakPolarHBondContact OE2-CG 3.31Å; P241-N243 VanDerWaalsContact C-N 3.25Å; P241-N243 PolarHBondContact O-N 3.16Å; P241-W244 HydrophobicContact CG-CB 3.99Å; P241-W244 HydrophobicContact CG-CD2 4.47Å; P241-W244 HydrophobicContact CG-CE3 4.05Å; P241-W244 HydrophobicContact CG-CG 4.5Å; P241-W244 WeakPolarHBondContact O-CB 3.43Å; P241-W244 PolarHBondContact O-N 3.25Å
242E93.1Very high97.6Very high195 Ų19563.2 Ų63.291%0.91132%0.321SS*.THydrogen-bonded Turntrans-56.6-33.3-176.4-69.7-178.3170.800114.2
243N94Very high97.6Very high156 Ų15662.1 Ų62.183%0.83432%0.318SS*.THydrogen-bonded Turntrans-111.943.6-176.6-64.7-45.5000112.7P241 A245P241-N243 VanDerWaalsContact C-N 3.25Å; P241-N243 PolarHBondContact O-N 3.16Å; N243-A245 PolarHBondContact O-N 2.85Å
244W97.6Very high97.6Very high35 Ų3566.2 Ų66.213%0.13334%0.34CS..  trans-79.8117.8-178.2-171.3-121.5000112.4E211 I214 Y235 V237 A240 P241 Y246 S247E211-W244 HydrophobicContact CB-CZ3 4.31Å; E211-W244 HydrophobicContact CG-CE3 4.45Å; E211-W244 HydrophobicContact CG-CH2 4.44Å; E211-W244 HydrophobicContact CG-CZ3 3.81Å; I214-W244 HydrophobicContact CD1-CH2 3.68Å; I214-W244 HydrophobicContact CD1-CZ2 4.42Å; I214-W244 HydrophobicContact CD1-CZ3 4.49Å; Y235-W244 HydrophobicContact CD2-CH2 4.36Å; Y235-W244 HydrophobicContact CG-CH2 4.35Å; Y235-W244 HydrophobicContact CG-CZ2 4.44Å; V237-W244 HydrophobicContact CG1-CH2 4.49Å; V237-W244 HydrophobicContact CG1-CZ2 3.98Å; V237-W244 HydrophobicContact CG2-CD2 4.35Å; V237-W244 HydrophobicContact CG2-CZ2 4.18Å; A240-W244 HydrophobicContact CB-CB 3.79Å; A240-W244 HydrophobicContact CB-CG 3.85Å; P241-W244 HydrophobicContact CG-CB 3.99Å; P241-W244 HydrophobicContact CG-CD2 4.47Å; P241-W244 HydrophobicContact CG-CE3 4.05Å; P241-W244 HydrophobicContact CG-CG 4.5Å; P241-W244 WeakPolarHBondContact O-CB 3.43Å; P241-W244 PolarHBondContact O-N 3.25Å; W244-Y246 VanDerWaalsContact C-N 3.31Å; W244-Y246 HydrophobicContact CD2-CD2 4.14Å; W244-Y246 AromaticContact CE2-CD2 3.81Å; W244-Y246 HydrophobicContact CE3-CD2 4.14Å; W244-Y246 AromaticContact CH2-CD2 3.52Å; W244-Y246 HydrophobicContact CH2-CD2 3.52Å; W244-Y246 HydrophobicContact CH2-CE2 4.08Å; W244-Y246 HydrophobicContact CH2-CG 4.38Å; W244-Y246 AromaticContact CZ2-CD2 3.54Å; W244-Y246 HydrophobicContact CZ2-CD2 3.54Å; W244-Y246 HydrophobicContact CZ2-CG 4Å; W244-Y246 AromaticContact CZ3-CD2 3.84Å; W244-Y246 HydrophobicContact CZ3-CD2 3.84Å; W244-Y246 HydrophobicContact CZ3-CE2 4.24Å; W244-Y246 PolarHBondContact NE1-O 2.86Å; W244-Y246 PolarHBondContact O-N 3.41Å; W244-S247 PolarHBondContact NE1-O 2.96Å
245A97Very high97.6Very high80 Ų8064 Ų6466%0.66133%0.331SS*.  trans-81-8-176.900000114.5N243N243-A245 PolarHBondContact O-N 2.85Å
246Y98.4Very high97.6Very high66 Ų6664 Ų6426%0.25933%0.331SS..SBendtrans-114.7-167.6-175.2-48.4-94.9000111.3W234 Y235 W244W234-Y246 HydrophobicContact CD2-CD1 4.03Å; W234-Y246 HydrophobicContact CE3-CD1 4.03Å; W234-Y246 HydrophobicContact CZ3-CD1 4.26Å; Y235-Y246 AromaticContact CD2-CD1 3.89Å; Y235-Y246 HydrophobicContact CD2-CD1 3.89Å; Y235-Y246 AromaticContact CD2-CD2 3.9Å; Y235-Y246 HydrophobicContact CD2-CD2 3.9Å; Y235-Y246 AromaticContact CD2-CE1 3.63Å; Y235-Y246 HydrophobicContact CD2-CE1 3.63Å; Y235-Y246 AromaticContact CD2-CE2 3.67Å; Y235-Y246 HydrophobicContact CD2-CE2 3.67Å; Y235-Y246 HydrophobicContact CD2-CG 4.01Å; Y235-Y246 AromaticContact CD2-CZ 3.52Å; Y235-Y246 HydrophobicContact CE2-CE1 4.2Å; Y235-Y246 HydrophobicContact CE2-CE2 4.26Å; Y235-Y246 AromaticContact CE2-CZ 3.88Å; Y235-Y246 WeakPolarHBondContact O-CB 3.26Å; W244-Y246 VanDerWaalsContact C-N 3.31Å; W244-Y246 HydrophobicContact CD2-CD2 4.14Å; W244-Y246 AromaticContact CE2-CD2 3.81Å; W244-Y246 HydrophobicContact CE3-CD2 4.14Å; W244-Y246 AromaticContact CH2-CD2 3.52Å; W244-Y246 HydrophobicContact CH2-CD2 3.52Å; W244-Y246 HydrophobicContact CH2-CE2 4.08Å; W244-Y246 HydrophobicContact CH2-CG 4.38Å; W244-Y246 AromaticContact CZ2-CD2 3.54Å; W244-Y246 HydrophobicContact CZ2-CD2 3.54Å; W244-Y246 HydrophobicContact CZ2-CG 4Å; W244-Y246 AromaticContact CZ3-CD2 3.84Å; W244-Y246 HydrophobicContact CZ3-CD2 3.84Å; W244-Y246 HydrophobicContact CZ3-CE2 4.24Å; W244-Y246 PolarHBondContact NE1-O 2.86Å; W244-Y246 PolarHBondContact O-N 3.41Å
247S98.6Very high97.6Very high24 Ų2469.9 Ų69.917%0.16835%0.354CS..EExtended strand (participates in β ladder)trans-74155.3-177.9-63.70000112.5W234 Y235 T236 V237 W244W234-S247 PolarHBondContact NE1-OG 2.91Å; Y235-S247 PolarHBondContact O-N 3.23Å; T236-S247 VanDerWaalsContact CA-O 3.28Å; T236-S247 WeakPolarHBondContact CA-O 3.46Å; T236-S247 PolarHBondContact OG1-O 3.13Å; V237-S247 PolarHBondContact N-O 3.15Å; W244-S247 PolarHBondContact NE1-O 2.96Å
248Q98.4Very high97.6Very high123 Ų12375.6 Ų75.658%0.57538%0.38SS*.EExtended strand (participates in β ladder)trans-119.8143.1170.9-174.2-178.64.200110.2V237 D238 A240V237-Q248 CarbonylContact O-C 3.57Å; V237-Q248 WeakPolarHBondContact O-CA 3.47Å; V237-Q248 WeakPolarHBondContact O-CG 3.31Å; D238-Q248 PolarHBondContact O-NE2 3.5Å; A240-Q248 HydrophobicContact CB-CB 4.08Å; A240-Q248 HydrophobicContact CB-CG 3.79Å
249G97.9Very high97.6Very high24 Ų2476.7 Ų76.725%0.24738%0.381CS..SBendtrans99.6-174.6176.700000113.7T236 V237T236-G249 WeakPolarHBondContact CG2-O 3.31Å; T236-G249 PolarHBondContact OG1-O 3.38Å; V237-G249 PolarHBondContact O-N 3.47Å
250F98.1Very high97.8Very high147 Ų14770.7 Ų70.765%0.64536%0.358SS*.SBendtrans-67.5158.1177.1-59.8-29.5000111.7D238 N252 M255D238-F250 VanDerWaalsContact OD1-CD1 3.28Å; D238-F250 WeakPolarHBondContact OD1-CD1 3.29Å; D238-F250 VanDerWaalsContact OD1-CE1 3.24Å; D238-F250 WeakPolarHBondContact OD1-CE1 3.37Å; F250-N252 PolarHBondContact O-N 2.89Å; F250-N252 VanDerWaalsContact O-N 3.16Å; F250-M255 WeakPolarHBondContact O-CE 3.39Å
251I98.6Very high97.8Very high5 Ų569.4 Ų69.43%0.02635%0.348CS..  trans-50.2122.6172.4-56.1-66.7000109.3I176 L205 A207 T236 V256 M277 A281 N285I176-I251 HydrophobicContact CG2-CD1 3.86Å; I176-I251 HydrophobicContact CG2-CG1 4.01Å; I176-I251 HydrophobicContact CG2-CG2 4.49Å; L205-I251 HydrophobicContact CD1-CD1 4.3Å; L205-I251 HydrophobicContact CD2-CD1 3.54Å; L205-I251 HydrophobicContact CD2-CG2 4.18Å; L205-I251 HydrophobicContact CG-CD1 3.56Å; A207-I251 HydrophobicContact CB-CD1 4Å; A207-I251 HydrophobicContact CB-CG1 4.27Å; T236-I251 HydrophobicContact CG2-CD1 3.91Å; I251-V256 HydrophobicContact CG2-CG2 3.9Å; I251-M277 HydrophobicContact CD1-CE 4.32Å; I251-M277 HydrophobicContact CG1-CE 3.76Å; I251-A281 HydrophobicContact CB-CB 4.03Å; I251-N285 PolarHBondContact O-ND2 2.97Å; I251-N285 VanDerWaalsContact O-ND2 3.15Å
252N98.6Very high97.9Very high57 Ų5771.1 Ų71.131%0.30536%0.359SS..  trans-126176.7-179.173.316.2000111.4F250 D254 M255 V256 N285F250-N252 PolarHBondContact O-N 2.89Å; F250-N252 VanDerWaalsContact O-N 3.16Å; N252-D254 PolarHBondContact OD1-N 3.23Å; N252-M255 WeakPolarHBondContact OD1-CB 3.41Å; N252-M255 WeakPolarHBondContact OD1-CG 3.29Å; N252-M255 PolarHBondContact OD1-N 2.84Å; N252-V256 VanDerWaalsContact O-CG2 3.24Å; N252-V256 WeakPolarHBondContact O-CG2 3.43Å; N252-V256 PolarHBondContact O-N 3.24Å; N252-V256 VanDerWaalsContact O-N 3.13Å; N252-N285 WeakPolarHBondContact CA-ND2 3.2Å
253E98.6Very high98.2Very high59 Ų5964.8 Ų64.828%0.27633%0.334SS..Hα-helixtrans-61.1-44.2-178.7-173.1-179.1159.700112.9V256 R257 N285 K288 V289E253-V256 PolarHBondContact O-N 3.45Å; E253-R257 WeakPolarHBondContact O-CB 3.24Å; E253-R257 PolarHBondContact O-N 3.09Å; E253-R257 IonicContact OE1-CZ 2.76Å; E253-R257 IonicContact OE1-NH2 3.61Å; E253-R257 PolarHBondContact OE1-NH2 2.76Å; E253-N285 PolarHBondContact N-OD1 3.26Å; E253-K288 HydrophobicContact CG-CB 4.24Å; E253-K288 HydrophobicContact CG-CD 4.44Å; E253-K288 WeakPolarHBondContact OE2-CD 3.44Å; E253-K288 IonicContact OE2-NZ 2.65Å; E253-V289 HydrophobicContact CG-CG2 3.92Å
254D98.7Very high98.3Very high95 Ų9559.2 Ų59.251%0.50831%0.314SS..Hα-helixtrans-64.2-44.2-178.3-60.2-30.9000111.1N252 V256 R257 E258N252-D254 PolarHBondContact OD1-N 3.23Å; D254-V256 VanDerWaalsContact C-N 3.33Å; D254-V256 PolarHBondContact O-N 2.99Å; D254-R257 PolarHBondContact O-N 2.85Å; D254-E258 VanDerWaalsContact O-CB 3.31Å; D254-E258 WeakPolarHBondContact O-CB 3.48Å; D254-E258 VanDerWaalsContact O-CG 3.31Å; D254-E258 WeakPolarHBondContact O-CG 3.35Å; D254-E258 PolarHBondContact O-N 2.95Å
255M98.8Very high98.2Very high8 Ų863.7 Ų63.74%0.03934%0.341CS..Hα-helixtrans-59.8-43.9175.1-66.8176.6-150.300111.4L205 T236 F250 N252 R259L205-M255 HydrophobicContact CD1-CB 4.35Å; L205-M255 HydrophobicContact CD2-CB 3.81Å; T236-M255 HydrophobicContact CG2-SD 4.05Å; F250-M255 WeakPolarHBondContact O-CE 3.39Å; N252-M255 WeakPolarHBondContact OD1-CB 3.41Å; N252-M255 WeakPolarHBondContact OD1-CG 3.29Å; N252-M255 PolarHBondContact OD1-N 2.84Å; M255-R259 WeakPolarHBondContact O-CB 3.49Å; M255-R259 VanDerWaalsContact O-CG 3.3Å; M255-R259 WeakPolarHBondContact O-CG 3.48Å; M255-R259 PolarHBondContact O-N 2.83Å
256V98.8Very high98.1Very high0 Ų063.2 Ų63.20%033%0.327CS..Hα-helixtrans-62.6-47.2177.3170.70000110.2I251 N252 E253 D254 L260 N285 L286 V289I251-V256 HydrophobicContact CG2-CG2 3.9Å; N252-V256 VanDerWaalsContact O-CG2 3.24Å; N252-V256 WeakPolarHBondContact O-CG2 3.43Å; N252-V256 PolarHBondContact O-N 3.24Å; N252-V256 VanDerWaalsContact O-N 3.13Å; E253-V256 PolarHBondContact O-N 3.45Å; D254-V256 VanDerWaalsContact C-N 3.33Å; D254-V256 PolarHBondContact O-N 2.99Å; V256-L260 HydrophobicContact CG1-CD1 4.13Å; V256-L260 WeakPolarHBondContact O-CB 3.3Å; V256-L260 PolarHBondContact O-N 2.77Å; V256-N285 HydrophobicContact CG2-CB 4.04Å; V256-L286 HydrophobicContact CG1-CD2 3.74Å; V256-L286 HydrophobicContact CG1-CG 4.37Å; V256-V289 HydrophobicContact CB-CG2 4.16Å; V256-V289 HydrophobicContact CG1-CB 3.98Å; V256-V289 HydrophobicContact CG1-CG1 4.24Å; V256-V289 HydrophobicContact CG1-CG2 3.71Å
257R98.7Very high98.1Very high126 Ų12660.2 Ų60.248%0.47532%0.316SS..Hα-helixtrans-65.7-39.7-177.4-172.4-179.8-59.6-72.60.9113.1E253 D254 V289E253-R257 WeakPolarHBondContact O-CB 3.24Å; E253-R257 PolarHBondContact O-N 3.09Å; E253-R257 IonicContact OE1-CZ 2.76Å; E253-R257 IonicContact OE1-NH2 3.61Å; E253-R257 PolarHBondContact OE1-NH2 2.76Å; D254-R257 PolarHBondContact O-N 2.85Å; R257-V289 HydrophobicContact CB-CG2 4.02Å
258E98.5Very high98.2Very high120 Ų12059.1 Ų59.156%0.56131%0.308SS*.Hα-helixtrans-88.3-29.9-174.7-68.4179.1-17200113.8D254D254-E258 VanDerWaalsContact O-CB 3.31Å; D254-E258 WeakPolarHBondContact O-CB 3.48Å; D254-E258 VanDerWaalsContact O-CG 3.31Å; D254-E258 WeakPolarHBondContact O-CG 3.35Å; D254-E258 PolarHBondContact O-N 2.95Å
259R98.6Very high98.2Very high75 Ų7553.2 Ų53.228%0.28328%0.281SS..Hα-helixtrans-110.7-20.3-166.2-47.6-59.1164.1175.2-7.4113.9H203 W234 M255H203-R259 PolarHBondContact ND1-O 2.83Å; W234-R259 HydrophobicContact CB-CB 4.2Å; W234-R259 HydrophobicContact CB-CG 4.16Å; W234-R259 HydrophobicContact CD2-CG 4.17Å; W234-R259 HydrophobicContact CG-CB 4.33Å; W234-R259 HydrophobicContact CG-CG 3.74Å; W234-R259 VanDerWaalsContact CH2-NH1 3.29Å; M255-R259 WeakPolarHBondContact O-CB 3.49Å; M255-R259 VanDerWaalsContact O-CG 3.3Å; M255-R259 WeakPolarHBondContact O-CG 3.48Å; M255-R259 PolarHBondContact O-N 2.83Å
260L98.8Very high98.2Very high8 Ų852.1 Ų52.14%0.04227%0.269CS..SBendtrans-96.7165.4172.9-57.1-174.9000111.2I176 H203 L205 V256 I269 L286I176-L260 HydrophobicContact CD1-CD1 3.69Å; I176-L260 HydrophobicContact CG1-CD1 3.73Å; I176-L260 HydrophobicContact CG1-CD2 4.44Å; H203-L260 HydrophobicContact CB-CD2 4.35Å; L205-L260 HydrophobicContact CB-CD2 4.06Å; V256-L260 HydrophobicContact CG1-CD1 4.13Å; V256-L260 WeakPolarHBondContact O-CB 3.3Å; V256-L260 PolarHBondContact O-N 2.77Å; L260-I269 HydrophobicContact CD1-CD1 4.46Å; L260-L286 HydrophobicContact CD1-CD2 4.14Å
261P98.6Very high98.3Very high2 Ų245.1 Ų45.11%0.01324%0.239CC..PPolyproline II helixtrans-58151.6172.6-24.236.8000110.7Q172 H203 A267 H291Q172-P261 HydrophobicContact CB-CB 3.81Å; Q172-P261 HydrophobicContact CB-CG 3.64Å; H203-P261 HydrophobicContact CB-CG 4.28Å; P261-A267 HydrophobicContact CB-CB 4.07Å; P261-H291 PolarHBondContact O-CE1 3.1Å; P261-H291 PolarHBondContact O-NE2 2.87Å
262P98.3Very high98.3Very high89 Ų8946 Ų4658%0.57825%0.245SC*.PPolyproline II helixtrans-59.9152.5169.127.5-34.4000110.7G264P262-G264 PolarHBondContact O-N 2.84Å
263P98Very high98.2Very high61 Ų6144.4 Ų44.440%0.39624%0.242SC..SBendtrans-61.8138.8176.828.1-36.4000111G290P263-G290 WeakPolarHBondContact CB-O 3.33Å
264G96.9Very high98.1Very high40 Ų4044.9 Ų44.941%0.41225%0.25SS..SBendtrans170.3171.7178.100000112.2P262 D266 A267P262-G264 PolarHBondContact O-N 2.84Å; G264-D266 PolarHBondContact O-N 2.86Å; G264-A267 PolarHBondContact O-N 2.77Å; G264-A267 VanDerWaalsContact O-N 3.16Å
265D95.4Very high98Very high129 Ų12945.1 Ų45.169%0.6926%0.257SS*.THydrogen-bonded Turntrans-70.3-21.6-177.5-69.5-31.8000113.5A267 R295D265-A267 VanDerWaalsContact C-N 3.31Å; D265-R295 PolarHBondContact O-NH1 2.6Å; D265-R295 VanDerWaalsContact O-NH1 3.12Å; D265-R295 PolarHBondContact O-NH2 2.76Å
266D95.9Very high97.9Very high69 Ų6948.4 Ų48.437%0.36928%0.279SS..THydrogen-bonded Turntrans-83.4-6.8175.6-78.4-18.7000112.8A170 K171 Q172 G264A170-D266 CarbonylContact C-O 3.49Å; A170-D266 VanDerWaalsContact CA-O 3.29Å; A170-D266 WeakPolarHBondContact CA-O 3.3Å; K171-D266 HydrophobicContact CB-CB 4.34Å; K171-D266 HydrophobicContact CD-CB 4.4Å; K171-D266 WeakPolarHBondContact CD-OD2 3.25Å; K171-D266 WeakPolarHBondContact CE-OD2 3.29Å; K171-D266 HydrophobicContact CG-CB 4.36Å; K171-D266 PolarHBondContact N-O 2.95Å; K171-D266 IonicContact NZ-OD1 3.14Å; K171-D266 IonicContact NZ-OD2 3.77Å; K171-D266 PolarHBondContact NZ-OD2 2.8Å; Q172-D266 PolarHBondContact N-O 3.38Å; Q172-D266 VanDerWaalsContact N-O 3.1Å; G264-D266 PolarHBondContact O-N 2.86Å
267A98.3Very high97.9Very high4 Ų449.7 Ų49.73%0.03329%0.285CS..EExtended strand (participates in β ladder)trans-103.1132.6-18000000111.2Q172 P261 G264 D265 R295Q172-A267 CarbonylContact O-C 3.52Å; Q172-A267 VanDerWaalsContact O-CA 3.3Å; Q172-A267 WeakPolarHBondContact O-CA 3.42Å; P261-A267 HydrophobicContact CB-CB 4.07Å; G264-A267 PolarHBondContact O-N 2.77Å; G264-A267 VanDerWaalsContact O-N 3.16Å; D265-A267 VanDerWaalsContact C-N 3.31Å; A267-R295 PolarHBondContact O-NE 3.46Å; A267-R295 PolarHBondContact O-NH2 2.86Å
268L98.8Very high97.9Very high0 Ų044.4 Ų44.40%027%0.266CS..EExtended strand (participates in β ladder)trans-118.9130.2170.1-176.169.3000109F155 I157 K168 A170 Q172 V173 G174 L270F155-L268 HydrophobicContact CB-CD2 4.12Å; F155-L268 HydrophobicContact CD1-CD2 3.79Å; F155-L268 HydrophobicContact CD2-CD2 3.63Å; F155-L268 HydrophobicContact CE1-CD2 4.07Å; F155-L268 HydrophobicContact CE2-CD2 3.94Å; F155-L268 HydrophobicContact CG-CD2 3.56Å; F155-L268 HydrophobicContact CZ-CD2 4.15Å; I157-L268 HydrophobicContact CD1-CD1 4.25Å; I157-L268 HydrophobicContact CD1-CD2 4.15Å; K168-L268 HydrophobicContact CD-CD1 4.05Å; A170-L268 HydrophobicContact CB-CB 3.7Å; Q172-L268 PolarHBondContact O-N 3.24Å; V173-L268 CarbonylContact C-O 3.45Å; V173-L268 VanDerWaalsContact CA-O 3.27Å; V173-L268 WeakPolarHBondContact CA-O 3.32Å; G174-L268 PolarHBondContact N-O 2.78Å; L268-L270 HydrophobicContact CD2-CD2 3.8Å; L268-L270 HydrophobicContact CG-CD2 3.87Å
269I98.9Very high97.9Very high0 Ų044.3 Ų44.30%027%0.265CS..EExtended strand (participates in β ladder)trans-104.4122.3178.8-53.4-57.5000109.7G174 I176 L260 M271 L286 H291 R295 R296 F297G174-I269 CarbonylContact O-C 3.5Å; G174-I269 VanDerWaalsContact O-CA 3.29Å; G174-I269 WeakPolarHBondContact O-CA 3.46Å; I176-I269 HydrophobicContact CD1-CG2 4.42Å; L260-I269 HydrophobicContact CD1-CD1 4.46Å; I269-M271 HydrophobicContact CG2-CG 4.18Å; I269-L286 HydrophobicContact CG1-CD2 4.24Å; I269-L286 HydrophobicContact CG2-CD1 3.86Å; I269-L286 HydrophobicContact CG2-CD2 3.94Å; I269-H291 HydrophobicContact CG1-CB 4.46Å; I269-R295 PolarHBondContact N-O 3.47Å; I269-R296 HydrophobicContact CB-CG 4.21Å; I269-R296 CarbonylContact O-C 3.6Å; I269-R296 VanDerWaalsContact O-CA 3.25Å; I269-R296 WeakPolarHBondContact O-CA 3.42Å; I269-F297 PolarHBondContact O-N 3.47Å
270L98.9Very high97.8Very high0 Ų047.3 Ų47.30%028%0.281CS..EExtended strand (participates in β ladder)trans-112.1136.4178.5-53.6-176.2000109.4L147 F155 V173 G174 M175 I176 M185 L188 L268 F297 F299L147-L270 HydrophobicContact CD1-CD1 4.5Å; L147-L270 HydrophobicContact CD1-CD2 3.66Å; F155-L270 HydrophobicContact CE1-CD1 4.23Å; V173-L270 HydrophobicContact CG1-CD1 3.62Å; V173-L270 HydrophobicContact CG1-CG 3.82Å; G174-L270 PolarHBondContact O-N 2.72Å; M175-L270 CarbonylContact C-O 3.55Å; M175-L270 WeakPolarHBondContact CA-O 3.48Å; I176-L270 PolarHBondContact N-O 2.93Å; M185-L270 HydrophobicContact CE-CB 4.06Å; M185-L270 HydrophobicContact SD-CB 4.02Å; L188-L270 HydrophobicContact CD1-CD1 3.3Å; L268-L270 HydrophobicContact CD2-CD2 3.8Å; L268-L270 HydrophobicContact CG-CD2 3.87Å; L270-F297 CarbonylContact C-O 3.49Å; L270-F297 WeakPolarHBondContact CA-O 3.49Å; L270-F297 HydrophobicContact CD2-CB 3.79Å; L270-F297 HydrophobicContact CD2-CD1 4.37Å; L270-F297 HydrophobicContact CD2-CG 4.48Å; L270-F299 HydrophobicContact CB-CE2 4.11Å; L270-F299 HydrophobicContact CD1-CE2 4.35Å
271M98.9Very high97.8Very high1 Ų147.5 Ų47.51%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-132.9138.9-177.5-55178.4-69.200111.3I176 M185 I269 I278 C282 N283 L286 R296 F297 T298 F299I176-M271 HydrophobicContact CB-CG 4.21Å; I176-M271 HydrophobicContact CD1-CG 4.28Å; I176-M271 HydrophobicContact CD1-SD 4.38Å; I176-M271 HydrophobicContact CG1-CG 4.4Å; I176-M271 WeakPolarHBondContact O-CA 3.48Å; M185-M271 VanDerWaalsContact CE-C 3.47Å; I269-M271 HydrophobicContact CG2-CG 4.18Å; M271-I278 HydrophobicContact CB-CD1 3.84Å; M271-I278 HydrophobicContact CE-CG2 4.33Å; M271-C282 HydrophobicContact SD-CB 3.49Å; M271-C282 WeakPolarHBondContact SD-CB 3.35Å; M271-N283 WeakPolarHBondContact CE-OD1 3.35Å; M271-L286 HydrophobicContact CE-CD1 4.35Å; M271-L286 HydrophobicContact SD-CD1 3.48Å; M271-L286 WeakPolarHBondContact SD-CD1 3.45Å; M271-R296 HydrophobicContact CE-CB 4.4Å; M271-F297 PolarHBondContact N-O 2.92Å; M271-T298 WeakPolarHBondContact CE-OG1 3.43Å; M271-T298 WeakPolarHBondContact O-CA 3.29Å; M271-F299 PolarHBondContact O-N 3.04Å
272C98.8Very high97.8Very high23 Ų2347.4 Ų47.416%0.15528%0.283CS..EExtended strand (participates in β ladder)trans-151.2124.7170.1-169.70000109.9I176 A177 G178 G181 P184 M185 F299I176-C272 PolarHBondContact O-N 3.38Å; A177-C272 CarbonylContact C-O 3.57Å; A177-C272 VanDerWaalsContact CA-O 3.32Å; A177-C272 WeakPolarHBondContact CA-O 3.34Å; G178-C272 PolarHBondContact N-O 3.45Å; G181-C272 VanDerWaalsContact CA-SG 3.52Å; G181-C272 WeakPolarHBondContact O-CB 3.4Å; P184-C272 HydrophobicContact CG-CB 4.4Å; M185-C272 HydrophobicContact CE-CB 3.74Å; C272-F299 HydrophobicContact CB-CB 4.02Å; C272-F299 HydrophobicContact CB-CD2 4.13Å; C272-F299 HydrophobicContact CB-CG 4.47Å
273G97.8Very high97.8Very high23 Ų2345.5 Ų45.524%0.23727%0.268CS..SBendtrans174.3-176.4-177.300000111.8
274P96.3Very high97.9Very high70 Ų7044.8 Ų44.846%0.45526%0.263SS..  trans-55.2140.4177.8-25.935.2000111.8P276 M277 I278P274-P276 VanDerWaalsContact C-CD 3.43Å; P274-P276 VanDerWaalsContact C-N 3.31Å; P274-P276 VanDerWaalsContact O-N 3.15Å; P274-M277 HydrophobicContact CB-CB 4.47Å; P274-M277 WeakPolarHBondContact O-CA 3.32Å; P274-M277 VanDerWaalsContact O-CB 3.3Å; P274-M277 WeakPolarHBondContact O-CB 3.34Å; P274-M277 PolarHBondContact O-N 2.93Å; P274-I278 PolarHBondContact O-N 2.93Å
275P96.7Very high97.9Very high100 Ų10043.7 Ų43.765%0.64925%0.248SC*.Hα-helixtrans-51.6-40.4-178.9-2632.5000114.7M277 I278 Q279P275-M277 VanDerWaalsContact C-N 3.32Å; P275-M277 PolarHBondContact O-N 3.32Å; P275-I278 PolarHBondContact O-N 3.35Å; P275-Q279 WeakPolarHBondContact O-CB 3.22Å; P275-Q279 PolarHBondContact O-N 3.02Å
276P96.9Very high98.1Very high77 Ų7737.5 Ų37.550%0.522%0.215SC..Hα-helixtrans-62.5-35.2175.4-24.435.9000113.8P274 F280P274-P276 VanDerWaalsContact C-CD 3.43Å; P274-P276 VanDerWaalsContact C-N 3.31Å; P274-P276 VanDerWaalsContact O-N 3.15Å; P276-F280 HydrophobicContact CB-CD2 3.95Å; P276-F280 HydrophobicContact CB-CE2 4.21Å; P276-F280 WeakPolarHBondContact O-CB 3.36Å; P276-F280 VanDerWaalsContact O-CD2 3.22Å; P276-F280 WeakPolarHBondContact O-CD2 3.36Å; P276-F280 PolarHBondContact O-N 2.82Å
277M98.3Very high98.2Very high26 Ų2638.5 Ų38.513%0.12822%0.22CC..Iπ-helixtrans-63.3-48.4175.7174.6-170.7165.600110I176 A177 G178 A207 I251 P274 P275 Q279 A281 C282I176-M277 HydrophobicContact CG2-CE 3.6Å; A177-M277 WeakPolarHBondContact O-CE 3.46Å; G178-M277 VanDerWaalsContact CA-SD 3.58Å; A207-M277 HydrophobicContact CB-CE 4.07Å; I251-M277 HydrophobicContact CD1-CE 4.32Å; I251-M277 HydrophobicContact CG1-CE 3.76Å; P274-M277 HydrophobicContact CB-CB 4.47Å; P274-M277 WeakPolarHBondContact O-CA 3.32Å; P274-M277 VanDerWaalsContact O-CB 3.3Å; P274-M277 WeakPolarHBondContact O-CB 3.34Å; P274-M277 PolarHBondContact O-N 2.93Å; P275-M277 VanDerWaalsContact C-N 3.32Å; P275-M277 PolarHBondContact O-N 3.32Å; M277-Q279 PolarHBondContact O-N 3.27Å; M277-A281 CarbonylContact O-C 3.49Å; M277-A281 WeakPolarHBondContact O-CA 3.33Å; M277-A281 VanDerWaalsContact O-CB 3.29Å; M277-A281 WeakPolarHBondContact O-CB 3.47Å; M277-A281 PolarHBondContact O-N 3.35Å; M277-C282 PolarHBondContact O-N 3.02Å; M277-C282 PolarHBondContact O-SG 3.36Å
278I98.4Very high98.3Very high15 Ų1544.4 Ų44.48%0.07725%0.245CC..Iπ-helixtrans-62-46.5179.6-54.1-52.1000111.1M271 P274 P275 N283 T298M271-I278 HydrophobicContact CB-CD1 3.84Å; M271-I278 HydrophobicContact CE-CG2 4.33Å; P274-I278 PolarHBondContact O-N 2.93Å; P275-I278 PolarHBondContact O-N 3.35Å; I278-N283 PolarHBondContact O-N 3.16Å; I278-N283 PolarHBondContact O-ND2 3.49Å; I278-T298 HydrophobicContact CG1-CG2 4.25Å; I278-T298 HydrophobicContact CG2-CG2 4.1Å
279Q98.1Very high98.2Very high118 Ų11845.1 Ų45.155%0.55125%0.249SC*.Iπ-helixtrans-71.9-42.4-173.7-173.9176.45.300113.3P275 M277 P284P275-Q279 WeakPolarHBondContact O-CB 3.22Å; P275-Q279 PolarHBondContact O-N 3.02Å; M277-Q279 PolarHBondContact O-N 3.27Å; Q279-P284 VanDerWaalsContact O-CD 3.3Å; Q279-P284 WeakPolarHBondContact O-CD 3.48Å; Q279-P284 WeakPolarHBondContact O-CG 3.33Å
280F97.9Very high98.2Very high138 Ų13847.2 Ų47.261%0.60527%0.272SS*.Iπ-helixtrans-106.7-23.4-169.5-56.1-62.6000113.9P276P276-F280 HydrophobicContact CB-CD2 3.95Å; P276-F280 HydrophobicContact CB-CE2 4.21Å; P276-F280 WeakPolarHBondContact O-CB 3.36Å; P276-F280 VanDerWaalsContact O-CD2 3.22Å; P276-F280 WeakPolarHBondContact O-CD2 3.36Å; P276-F280 PolarHBondContact O-N 2.82Å
281A98.1Very high98.2Very high12 Ų1247.5 Ų47.510%0.09927%0.273CS..Iπ-helixtrans-111.7-40.9-175.800000112.6I251 M277 N285I251-A281 HydrophobicContact CB-CB 4.03Å; M277-A281 CarbonylContact O-C 3.49Å; M277-A281 WeakPolarHBondContact O-CA 3.33Å; M277-A281 VanDerWaalsContact O-CB 3.29Å; M277-A281 WeakPolarHBondContact O-CB 3.47Å; M277-A281 PolarHBondContact O-N 3.35Å; A281-N285 WeakPolarHBondContact O-CB 3.47Å; A281-N285 PolarHBondContact O-ND2 3.12Å
282C98.6Very high98.1Very high0 Ų049.8 Ų49.80%029%0.289CS..Iπ-helixtrans-82.3-63.6-178-550000112.4I176 M271 M277 N285 L286I176-C282 HydrophobicContact CD1-CB 4.27Å; M271-C282 HydrophobicContact SD-CB 3.49Å; M271-C282 WeakPolarHBondContact SD-CB 3.35Å; M277-C282 PolarHBondContact O-N 3.02Å; M277-C282 PolarHBondContact O-SG 3.36Å; C282-N285 PolarHBondContact O-N 3.18Å; C282-L286 WeakPolarHBondContact O-CB 3.33Å; C282-L286 WeakPolarHBondContact O-CG 3.3Å; C282-L286 PolarHBondContact O-N 2.72Å
283N98.5Very high98Very high50 Ų5053.1 Ų53.127%0.26731%0.31SS..Hα-helixtrans-57.6-48.6-172.1-78.4-36.4000113.5M271 I278 N285 L286 D287 R296M271-N283 WeakPolarHBondContact CE-OD1 3.35Å; I278-N283 PolarHBondContact O-N 3.16Å; I278-N283 PolarHBondContact O-ND2 3.49Å; N283-N285 VanDerWaalsContact C-N 3.32Å; N283-N285 PolarHBondContact O-N 2.92Å; N283-L286 PolarHBondContact O-N 3.49Å; N283-D287 PolarHBondContact O-N 3.05Å; N283-R296 PolarHBondContact O-NH1 3.36Å
284P98.6Very high97.9Very high46 Ų4656.5 Ų56.530%0.29932%0.323SS..Hα-helixtrans-63.8-36.8-178.8-23.835.9000113.1Q279 D287 K288Q279-P284 VanDerWaalsContact O-CD 3.3Å; Q279-P284 WeakPolarHBondContact O-CD 3.48Å; Q279-P284 WeakPolarHBondContact O-CG 3.33Å; P284-D287 WeakPolarHBondContact O-CB 3.49Å; P284-D287 PolarHBondContact O-N 2.77Å; P284-K288 WeakPolarHBondContact O-CG 3.3Å; P284-K288 PolarHBondContact O-N 3.39Å; P284-K288 VanDerWaalsContact O-N 3.11Å
285N98.8Very high98Very high16 Ų1654.4 Ų54.49%0.08631%0.306CS..Hα-helixtrans-76.9-34.3-179.9-68.6-43.7000111.8I251 N252 E253 V256 A281 C282 N283 D287 K288 V289I251-N285 PolarHBondContact O-ND2 2.97Å; I251-N285 VanDerWaalsContact O-ND2 3.15Å; N252-N285 WeakPolarHBondContact CA-ND2 3.2Å; E253-N285 PolarHBondContact N-OD1 3.26Å; V256-N285 HydrophobicContact CG2-CB 4.04Å; A281-N285 WeakPolarHBondContact O-CB 3.47Å; A281-N285 PolarHBondContact O-ND2 3.12Å; C282-N285 PolarHBondContact O-N 3.18Å; N283-N285 VanDerWaalsContact C-N 3.32Å; N283-N285 PolarHBondContact O-N 2.92Å; N285-D287 VanDerWaalsContact C-N 3.28Å; N285-D287 PolarHBondContact O-N 3.26Å; N285-K288 PolarHBondContact O-N 2.92Å; N285-K288 PolarHBondContact OD1-NZ 3.45Å; N285-V289 WeakPolarHBondContact O-CG2 3.36Å; N285-V289 PolarHBondContact O-N 2.91Å
286L98.8Very high98.1Very high0 Ų051.2 Ų51.20%028%0.281CS..Hα-helixtrans-62.3-35.9168.9-72.3167000112I176 V256 L260 I269 M271 C282 N283 G290 H291 R296I176-L286 HydrophobicContact CD1-CD1 4.08Å; I176-L286 HydrophobicContact CD1-CD2 4.34Å; I176-L286 HydrophobicContact CD1-CG 4.33Å; V256-L286 HydrophobicContact CG1-CD2 3.74Å; V256-L286 HydrophobicContact CG1-CG 4.37Å; L260-L286 HydrophobicContact CD1-CD2 4.14Å; I269-L286 HydrophobicContact CG1-CD2 4.24Å; I269-L286 HydrophobicContact CG2-CD1 3.86Å; I269-L286 HydrophobicContact CG2-CD2 3.94Å; M271-L286 HydrophobicContact CE-CD1 4.35Å; M271-L286 HydrophobicContact SD-CD1 3.48Å; M271-L286 WeakPolarHBondContact SD-CD1 3.45Å; C282-L286 WeakPolarHBondContact O-CB 3.33Å; C282-L286 WeakPolarHBondContact O-CG 3.3Å; C282-L286 PolarHBondContact O-N 2.72Å; N283-L286 PolarHBondContact O-N 3.49Å; L286-G290 PolarHBondContact O-N 2.79Å; L286-H291 HydrophobicContact CB-CB 4.29Å; L286-H291 HydrophobicContact CD2-CB 4.15Å; L286-H291 VanDerWaalsContact CD2-CD2 3.48Å; L286-H291 WeakPolarHBondContact CD2-CD2 3.38Å; L286-H291 PolarHBondContact O-N 3.24Å; L286-R296 PolarHBondContact O-NH2 2.96Å
287D98.6Very high98.2Very high90 Ų9048.6 Ų48.648%0.48126%0.262SS..Hα-helixtrans-64.7-47.4175.6-66.6-26.8000111N283 P284 N285 V289 G290 R296N283-D287 PolarHBondContact O-N 3.05Å; P284-D287 WeakPolarHBondContact O-CB 3.49Å; P284-D287 PolarHBondContact O-N 2.77Å; N285-D287 VanDerWaalsContact C-N 3.28Å; N285-D287 PolarHBondContact O-N 3.26Å; D287-V289 VanDerWaalsContact C-N 3.3Å; D287-V289 PolarHBondContact O-N 3.11Å; D287-G290 PolarHBondContact O-N 2.72Å; D287-G290 VanDerWaalsContact O-N 3.08Å; D287-R296 IonicContact OD1-CZ 2.76Å; D287-R296 IonicContact OD1-NH1 3.61Å; D287-R296 PolarHBondContact OD1-NH1 2.6Å; D287-R296 IonicContact OD1-NH2 2.74Å; D287-R296 PolarHBondContact OD1-NH2 2.73Å
288K98.7Very high98.2Very high127 Ų12750.4 Ų50.455%0.55227%0.274SS*.Hα-helixtrans-61.8-36.2177.3-68176.1-169.2173.20113.3E253 P284 N285 G290E253-K288 HydrophobicContact CG-CB 4.24Å; E253-K288 HydrophobicContact CG-CD 4.44Å; E253-K288 WeakPolarHBondContact OE2-CD 3.44Å; E253-K288 IonicContact OE2-NZ 2.65Å; P284-K288 WeakPolarHBondContact O-CG 3.3Å; P284-K288 PolarHBondContact O-N 3.39Å; P284-K288 VanDerWaalsContact O-N 3.11Å; N285-K288 PolarHBondContact O-N 2.92Å; N285-K288 PolarHBondContact OD1-NZ 3.45Å; K288-G290 VanDerWaalsContact C-N 3.31Å
289V98.6Very high98.1Very high15 Ų1553.1 Ų53.19%0.09129%0.286CS..Hα-helixtrans-76.8-21.1176.5175.90000111.8E253 V256 R257 N285 D287E253-V289 HydrophobicContact CG-CG2 3.92Å; V256-V289 HydrophobicContact CB-CG2 4.16Å; V256-V289 HydrophobicContact CG1-CB 3.98Å; V256-V289 HydrophobicContact CG1-CG1 4.24Å; V256-V289 HydrophobicContact CG1-CG2 3.71Å; R257-V289 HydrophobicContact CB-CG2 4.02Å; N285-V289 WeakPolarHBondContact O-CG2 3.36Å; N285-V289 PolarHBondContact O-N 2.91Å; D287-V289 VanDerWaalsContact C-N 3.3Å; D287-V289 PolarHBondContact O-N 3.11Å
290G98.5Very high98.1Very high45 Ų4549.9 Ų49.946%0.46427%0.272SS..THydrogen-bonded Turntrans98.417.8173.400000115P263 L286 D287 K288 S292P263-G290 WeakPolarHBondContact CB-O 3.33Å; L286-G290 PolarHBondContact O-N 2.79Å; D287-G290 PolarHBondContact O-N 2.72Å; D287-G290 VanDerWaalsContact O-N 3.08Å; K288-G290 VanDerWaalsContact C-N 3.31Å; G290-S292 PolarHBondContact O-N 3.08Å
291H98.4Very high98.1Very high6 Ų645.3 Ų45.33%0.02826%0.255CS..  trans-66.9130.5172.4-72.2-83.2000109.9P261 I269 L286 R296P261-H291 PolarHBondContact O-CE1 3.1Å; P261-H291 PolarHBondContact O-NE2 2.87Å; I269-H291 HydrophobicContact CG1-CB 4.46Å; L286-H291 HydrophobicContact CB-CB 4.29Å; L286-H291 HydrophobicContact CD2-CB 4.15Å; L286-H291 VanDerWaalsContact CD2-CD2 3.48Å; L286-H291 WeakPolarHBondContact CD2-CD2 3.38Å; L286-H291 PolarHBondContact O-N 3.24Å; H291-R296 VanDerWaalsContact O-CZ 3.32Å; H291-R296 PolarHBondContact O-NE 3.17Å; H291-R296 PolarHBondContact O-NH2 3.41Å
292S97.6Very high98.1Very high49 Ų4947.1 Ų47.134%0.34326%0.263SS..  trans-71.1140.3178.4175.10000111.9G290 N294 R295G290-S292 PolarHBondContact O-N 3.08Å; S292-N294 WeakPolarHBondContact CB-OD1 3.15Å; S292-N294 PolarHBondContact O-N 3.02Å; S292-N294 PolarHBondContact OG-N 3.22Å; S292-N294 PolarHBondContact OG-OD1 2.98Å; S292-R295 WeakPolarHBondContact O-CA 3.41Å; S292-R295 PolarHBondContact O-N 2.95Å
293P96.5Very high98.1Very high92 Ų9249.9 Ų49.960%0.59728%0.279SS*.G310 helixtrans-55.1-31173.1-27.235.3000113.9R295 R296P293-R295 PolarHBondContact O-N 3.35Å; P293-R296 PolarHBondContact O-N 3.39Å
294N96.1Very high98.1Very high95 Ų9549.9 Ų49.951%0.50828%0.28SS..G310 helixtrans-72.3-9.317775.6-5.7000113.6K168 S292K168-N294 VanDerWaalsContact CE-O 3.3Å; K168-N294 WeakPolarHBondContact CE-O 3.34Å; K168-N294 PolarHBondContact NZ-O 3.39Å; S292-N294 WeakPolarHBondContact CB-OD1 3.15Å; S292-N294 PolarHBondContact O-N 3.02Å; S292-N294 PolarHBondContact OG-N 3.22Å; S292-N294 PolarHBondContact OG-OD1 2.98Å
295R97.7Very high98Very high25 Ų2550.1 Ų50.19%0.09428%0.278CS..G310 helixtrans-106.416.8174.5-62.6-52.9-60.1-169.3-0.7111.6M169 D265 A267 I269 S292 P293M169-R295 PolarHBondContact O-NH1 3.43Å; M169-R295 PolarHBondContact O-NH2 2.65Å; D265-R295 PolarHBondContact O-NH1 2.6Å; D265-R295 VanDerWaalsContact O-NH1 3.12Å; D265-R295 PolarHBondContact O-NH2 2.76Å; A267-R295 PolarHBondContact O-NE 3.46Å; A267-R295 PolarHBondContact O-NH2 2.86Å; I269-R295 PolarHBondContact N-O 3.47Å; S292-R295 WeakPolarHBondContact O-CA 3.41Å; S292-R295 PolarHBondContact O-N 2.95Å; P293-R295 PolarHBondContact O-N 3.35Å
296R97.9Very high98Very high33 Ų3352.6 Ų52.613%0.12529%0.292CS..EExtended strand (participates in β ladder)trans-118.4146.7177.7-57.6175.4-164.2175.22.5110.7I269 M271 N283 L286 D287 H291 P293I269-R296 HydrophobicContact CB-CG 4.21Å; I269-R296 CarbonylContact O-C 3.6Å; I269-R296 VanDerWaalsContact O-CA 3.25Å; I269-R296 WeakPolarHBondContact O-CA 3.42Å; M271-R296 HydrophobicContact CE-CB 4.4Å; N283-R296 PolarHBondContact O-NH1 3.36Å; L286-R296 PolarHBondContact O-NH2 2.96Å; D287-R296 IonicContact OD1-CZ 2.76Å; D287-R296 IonicContact OD1-NH1 3.61Å; D287-R296 PolarHBondContact OD1-NH1 2.6Å; D287-R296 IonicContact OD1-NH2 2.74Å; D287-R296 PolarHBondContact OD1-NH2 2.73Å; H291-R296 VanDerWaalsContact O-CZ 3.32Å; H291-R296 PolarHBondContact O-NE 3.17Å; H291-R296 PolarHBondContact O-NH2 3.41Å; P293-R296 PolarHBondContact O-N 3.39Å
297F98.6Very high97.9Very high23 Ų2356.6 Ų56.610%0.10132%0.315CS..EExtended strand (participates in β ladder)trans-139.9138.6171.8-178.1-93.9000109.8L146 L147 I157 I269 L270 M271 F299L146-F297 HydrophobicContact CB-CE2 3.88Å; L146-F297 HydrophobicContact CB-CZ 3.97Å; L147-F297 HydrophobicContact CB-CD1 4.16Å; L147-F297 HydrophobicContact CB-CE1 3.68Å; L147-F297 HydrophobicContact CB-CE2 4.11Å; L147-F297 HydrophobicContact CB-CZ 3.66Å; L147-F297 HydrophobicContact CD1-CB 4.35Å; L147-F297 HydrophobicContact CD1-CD1 3.61Å; L147-F297 HydrophobicContact CD1-CD2 4.49Å; L147-F297 HydrophobicContact CD1-CE1 3.99Å; L147-F297 HydrophobicContact CD1-CG 3.89Å; L147-F297 HydrophobicContact CG-CE1 4.49Å; I157-F297 HydrophobicContact CD1-CB 4.43Å; I157-F297 HydrophobicContact CD1-CD2 4.48Å; I157-F297 HydrophobicContact CG2-CD2 3.57Å; I157-F297 HydrophobicContact CG2-CE2 3.84Å; I269-F297 PolarHBondContact O-N 3.47Å; L270-F297 CarbonylContact C-O 3.49Å; L270-F297 WeakPolarHBondContact CA-O 3.49Å; L270-F297 HydrophobicContact CD2-CB 3.79Å; L270-F297 HydrophobicContact CD2-CD1 4.37Å; L270-F297 HydrophobicContact CD2-CG 4.48Å; M271-F297 PolarHBondContact N-O 2.92Å; F297-F299 HydrophobicContact CD1-CD2 4.28Å; F297-F299 HydrophobicContact CD1-CE2 4.37Å; F297-F299 HydrophobicContact CD1-CG 4.41Å; F297-F299 AromaticContact CE1-CD1 3.87Å; F297-F299 HydrophobicContact CE1-CD1 3.87Å; F297-F299 HydrophobicContact CE1-CD2 4.27Å; F297-F299 HydrophobicContact CE1-CE1 4.11Å; F297-F299 AromaticContact CE1-CG 3.96Å; F297-F299 HydrophobicContact CE1-CG 3.96Å; F297-F299 HydrophobicContact CE1-CZ 4.43Å
298T98.4Very high97.8Very high63 Ų6353.8 Ų53.839%0.38730%0.301SS..EExtended strand (participates in β ladder)trans-115.9127.3173-51.50000108.4M271 I278M271-T298 WeakPolarHBondContact CE-OG1 3.43Å; M271-T298 WeakPolarHBondContact O-CA 3.29Å; I278-T298 HydrophobicContact CG1-CG2 4.25Å; I278-T298 HydrophobicContact CG2-CG2 4.1Å
299F97.3Very high97.8Very high73 Ų7347.2 Ų47.232%0.3228%0.278SS..  trans-69.90175.3-73.7-86.8000112.8G74 L147 P184 M185 L188 L270 M271 C272 F297G74-F299 WeakPolarHBondContact O-CE1 3.17Å; L147-F299 HydrophobicContact CD1-CZ 4.43Å; L147-F299 HydrophobicContact CD2-CE1 4.47Å; L147-F299 HydrophobicContact CD2-CZ 4.35Å; P184-F299 HydrophobicContact CB-CD1 3.83Å; P184-F299 HydrophobicContact CB-CD2 3.92Å; P184-F299 HydrophobicContact CB-CE1 3.83Å; P184-F299 HydrophobicContact CB-CE2 3.9Å; P184-F299 HydrophobicContact CB-CG 3.87Å; P184-F299 HydrophobicContact CB-CZ 3.86Å; P184-F299 HydrophobicContact CG-CB 4.47Å; P184-F299 HydrophobicContact CG-CD1 4.37Å; P184-F299 HydrophobicContact CG-CG 4.23Å; M185-F299 HydrophobicContact CE-CD2 3.9Å; M185-F299 HydrophobicContact CE-CE2 3.9Å; M185-F299 HydrophobicContact SD-CE2 4.05Å; L188-F299 HydrophobicContact CD1-CE2 4.42Å; L188-F299 HydrophobicContact CD1-CZ 3.88Å; L270-F299 HydrophobicContact CB-CE2 4.11Å; L270-F299 HydrophobicContact CD1-CE2 4.35Å; M271-F299 PolarHBondContact O-N 3.04Å; C272-F299 HydrophobicContact CB-CB 4.02Å; C272-F299 HydrophobicContact CB-CD2 4.13Å; C272-F299 HydrophobicContact CB-CG 4.47Å; F297-F299 HydrophobicContact CD1-CD2 4.28Å; F297-F299 HydrophobicContact CD1-CE2 4.37Å; F297-F299 HydrophobicContact CD1-CG 4.41Å; F297-F299 AromaticContact CE1-CD1 3.87Å; F297-F299 HydrophobicContact CE1-CD1 3.87Å; F297-F299 HydrophobicContact CE1-CD2 4.27Å; F297-F299 HydrophobicContact CE1-CE1 4.11Å; F297-F299 AromaticContact CE1-CG 3.96Å; F297-F299 HydrophobicContact CE1-CG 3.96Å; F297-F299 HydrophobicContact CE1-CZ 4.43Å

Retrieved 299 of 299 residues in 335.8 ms (Link to these results)

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