A0A4W5QLX7_9TELE Loading...

Eukaryotic peptide chain release factor subunit 1

AlphaFold DB , UniProt , Accession A0A4W5QLX7, Species 9TELE (Hucho hucho, huchen), Gene n/a, Length 446 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
1M29.3Very low60.1Low195 Ų19576.5 Ų76.596%0.96143%0.427SS*.  084.60-77.2177.3172.500106.7A248M1-A248 HydrophobicContact SD-CB 4.49Å
2A27.3Very low62.2Low78 Ų7870.2 Ų70.265%0.64539%0.392SS*.  trans-69.5129.4172.300000107.2
3D46.4Very low63.9Low89 Ų8970.1 Ų70.148%0.47639%0.386SS..  trans-53.5146.7162.6-90.2-49.3000108.6P5 K249D3-P5 VanDerWaalsContact O-CD 3.25Å; D3-P5 WeakPolarHBondContact O-CD 3.49Å; D3-K249 IonicContact OD1-NZ 3.01Å; D3-K249 PolarHBondContact OD1-NZ 3.16Å
4D54.5Low65.4Low56 Ų5665.8 Ų65.830%0.29936%0.362SS..  trans-50.4112.8-174-178.315.7000110.8N6 A7 A8 K218D4-N6 PolarHBondContact O-N 3.44Å; D4-N6 PolarHBondContact OD1-N 3.48Å; D4-A7 HydrophobicContact CB-CB 4Å; D4-A7 WeakPolarHBondContact O-CB 3.31Å; D4-A7 PolarHBondContact O-N 3.02Å; D4-A8 PolarHBondContact O-N 3.28Å; D4-K218 WeakPolarHBondContact OD1-CE 3.44Å; D4-K218 IonicContact OD1-NZ 2.64Å; D4-K218 PolarHBondContact OD1-NZ 2.8Å; D4-K218 WeakPolarHBondContact OD2-CE 3.47Å; D4-K218 IonicContact OD2-NZ 3.68Å; D4-K218 PolarHBondContact OD2-NZ 3.45Å
5P51.7Low66.8Low71 Ų7163.5 Ų63.546%0.46135%0.346SS..Hα-helixtrans-55.9-29.6-176.4-23.931.7000112.1D3 A7 D9D3-P5 VanDerWaalsContact O-CD 3.25Å; D3-P5 WeakPolarHBondContact O-CD 3.49Å; P5-A7 VanDerWaalsContact C-N 3.33Å; P5-A7 PolarHBondContact O-N 3.07Å; P5-D9 WeakPolarHBondContact O-CB 3.43Å; P5-D9 PolarHBondContact O-N 3.15Å; P5-D9 VanDerWaalsContact O-N 3.14Å
6N65.4Low68.1Low111 Ų11162.8 Ų62.859%0.59434%0.339SS*.Hα-helixtrans-73.7-23179.4-154.116.9000113.2D4 R10D4-N6 PolarHBondContact O-N 3.44Å; D4-N6 PolarHBondContact OD1-N 3.48Å; N6-R10 VanDerWaalsContact O-CB 3.32Å; N6-R10 WeakPolarHBondContact O-CB 3.49Å; N6-R10 PolarHBondContact O-N 3.39Å; N6-R10 VanDerWaalsContact O-N 3.12Å
7A70.8Confident69.2Low43 Ų4359.6 Ų59.636%0.35532%0.322SS..Hα-helixtrans-78.3-41.917700000111.5D4 P5 R10 N11D4-A7 HydrophobicContact CB-CB 4Å; D4-A7 WeakPolarHBondContact O-CB 3.31Å; D4-A7 PolarHBondContact O-N 3.02Å; P5-A7 VanDerWaalsContact C-N 3.33Å; P5-A7 PolarHBondContact O-N 3.07Å; A7-R10 PolarHBondContact O-N 3.41Å; A7-N11 PolarHBondContact O-N 3.47Å; A7-N11 PolarHBondContact O-ND2 3.03Å
8A72.6Confident70.2Confident5 Ų562.3 Ų62.34%0.04133%0.33CS..Hα-helixtrans-60.1-49.6172.100000110.8D4 R10 N11 V12 E399D4-A8 PolarHBondContact O-N 3.28Å; A8-R10 VanDerWaalsContact C-N 3.29Å; A8-R10 PolarHBondContact O-N 3.18Å; A8-N11 WeakPolarHBondContact O-CA 3.42Å; A8-N11 WeakPolarHBondContact O-CB 3.34Å; A8-N11 PolarHBondContact O-N 2.95Å; A8-V12 PolarHBondContact O-N 3.03Å; A8-E399 WeakPolarHBondContact CB-OE1 3.49Å
9D80.1Confident71.1Confident32 Ų3264.2 Ų64.217%0.17134%0.335CS..Hα-helixtrans-55.9-42.4175.4-82.617.8000112.2P5 N11 V12 E13 Y391 K392P5-D9 WeakPolarHBondContact O-CB 3.43Å; P5-D9 PolarHBondContact O-N 3.15Å; P5-D9 VanDerWaalsContact O-N 3.14Å; D9-N11 VanDerWaalsContact C-N 3.33Å; D9-N11 PolarHBondContact O-N 3.4Å; D9-V12 PolarHBondContact O-N 3.29Å; D9-E13 PolarHBondContact O-N 3.3Å; D9-E13 VanDerWaalsContact O-N 3.07Å; D9-Y391 WeakPolarHBondContact OD1-CE2 3.45Å; D9-Y391 PolarHBondContact OD1-OH 2.89Å; D9-K392 WeakPolarHBondContact OD2-CE 3.03Å; D9-K392 IonicContact OD2-NZ 2.64Å; D9-K392 PolarHBondContact OD2-NZ 3.19Å
10R81.3Confident72Confident108 Ų10862.5 Ų62.541%0.40833%0.326SS..Hα-helixtrans-64.2-37.3176.2-177.7177.3176.7170.8-2.4112N6 A7 A8 V12 E13 I14 F117 D142N6-R10 VanDerWaalsContact O-CB 3.32Å; N6-R10 WeakPolarHBondContact O-CB 3.49Å; N6-R10 PolarHBondContact O-N 3.39Å; N6-R10 VanDerWaalsContact O-N 3.12Å; A7-R10 PolarHBondContact O-N 3.41Å; A8-R10 VanDerWaalsContact C-N 3.29Å; A8-R10 PolarHBondContact O-N 3.18Å; R10-V12 VanDerWaalsContact C-N 3.32Å; R10-E13 PolarHBondContact O-N 3.18Å; R10-I14 HydrophobicContact CG-CD1 4.02Å; R10-I14 HydrophobicContact CG-CG1 4.5Å; R10-I14 WeakPolarHBondContact O-CB 3.39Å; R10-I14 WeakPolarHBondContact O-CG1 3.43Å; R10-I14 PolarHBondContact O-N 3.14Å; R10-F117 HydrophobicContact CG-CD2 4.43Å; R10-D142 IonicContact CZ-OD2 3.91Å; R10-D142 VanDerWaalsContact CZ-OD2 3.24Å; R10-D142 IonicContact NE-OD2 2.8Å; R10-D142 PolarHBondContact NE-OD2 3.2Å; R10-D142 VanDerWaalsContact NE-OD2 3.15Å; R10-D142 IonicContact NH2-OD1 2.75Å; R10-D142 PolarHBondContact NH2-OD1 3.16Å; R10-D142 IonicContact NH2-OD2 2.9Å; R10-D142 PolarHBondContact NH2-OD2 2.92Å
11N82.1Confident72.9Confident53 Ų5360 Ų6028%0.28331%0.313SS..Hα-helixtrans-64.4-38.4175.8-71-27.9000111.7A7 A8 D9 I14 W15A7-N11 PolarHBondContact O-N 3.47Å; A7-N11 PolarHBondContact O-ND2 3.03Å; A8-N11 WeakPolarHBondContact O-CA 3.42Å; A8-N11 WeakPolarHBondContact O-CB 3.34Å; A8-N11 PolarHBondContact O-N 2.95Å; D9-N11 VanDerWaalsContact C-N 3.33Å; D9-N11 PolarHBondContact O-N 3.4Å; N11-I14 WeakPolarHBondContact O-CB 3.37Å; N11-I14 PolarHBondContact O-N 3.17Å; N11-W15 PolarHBondContact O-N 3.44Å
12V85.1Confident75.8Confident1 Ų157.6 Ų57.61%0.00630%0.297CS..Hα-helixtrans-63.1-44.8174.3177.70000111A8 D9 R10 I14 W15 K16 A388 Y391 L398 I400A8-V12 PolarHBondContact O-N 3.03Å; D9-V12 PolarHBondContact O-N 3.29Å; R10-V12 VanDerWaalsContact C-N 3.32Å; V12-I14 PolarHBondContact O-N 3.37Å; V12-W15 WeakPolarHBondContact O-CB 3.47Å; V12-W15 PolarHBondContact O-N 3.22Å; V12-W15 VanDerWaalsContact O-N 3.16Å; V12-K16 WeakPolarHBondContact O-CG 3.46Å; V12-K16 PolarHBondContact O-N 2.96Å; V12-A388 HydrophobicContact CG1-CB 3.88Å; V12-Y391 HydrophobicContact CG1-CE1 3.97Å; V12-L398 HydrophobicContact CG1-CD2 4.05Å; V12-L398 HydrophobicContact CG2-CB 4.09Å; V12-L398 HydrophobicContact CG2-CD2 3.9Å; V12-L398 HydrophobicContact CG2-CG 3.96Å; V12-L398 WeakPolarHBondContact CG2-O 3.49Å; V12-I400 HydrophobicContact CG2-CD1 4.4Å
13E83.9Confident78.6Confident69 Ų6956.7 Ų56.732%0.32229%0.286SS..Hα-helixtrans-64.5-38.7176.2-67.6-57.4134.800112.4D9 R10 W15 K16 I17D9-E13 PolarHBondContact O-N 3.3Å; D9-E13 VanDerWaalsContact O-N 3.07Å; R10-E13 PolarHBondContact O-N 3.18Å; E13-W15 VanDerWaalsContact C-N 3.31Å; E13-W15 PolarHBondContact O-N 3.47Å; E13-K16 PolarHBondContact O-N 3.2Å; E13-K16 IonicContact OE1-NZ 3.92Å; E13-K16 PolarHBondContact OE1-NZ 3.29Å; E13-I17 WeakPolarHBondContact O-CG1 3.4Å; E13-I17 PolarHBondContact O-N 3.36Å
14I85.5Confident80.7Confident10 Ų1052.6 Ų52.65%0.05126%0.264CS..Hα-helixtrans-60.5-42.1171.9-73167.9000110.7R10 N11 V12 I17 K18 F117 L140R10-I14 HydrophobicContact CG-CD1 4.02Å; R10-I14 HydrophobicContact CG-CG1 4.5Å; R10-I14 WeakPolarHBondContact O-CB 3.39Å; R10-I14 WeakPolarHBondContact O-CG1 3.43Å; R10-I14 PolarHBondContact O-N 3.14Å; N11-I14 WeakPolarHBondContact O-CB 3.37Å; N11-I14 PolarHBondContact O-N 3.17Å; V12-I14 PolarHBondContact O-N 3.37Å; I14-I17 PolarHBondContact O-N 3.48Å; I14-K18 HydrophobicContact CG2-CD 4.44Å; I14-K18 WeakPolarHBondContact O-CG 3.21Å; I14-K18 PolarHBondContact O-N 3.46Å; I14-F117 HydrophobicContact CD1-CE2 4.37Å; I14-F117 HydrophobicContact CG1-CE1 4.4Å; I14-F117 HydrophobicContact CG1-CE2 4.02Å; I14-F117 HydrophobicContact CG1-CZ 3.92Å; I14-L140 HydrophobicContact CB-CD2 4.49Å; I14-L140 HydrophobicContact CG2-CD2 3.72Å
15W86.8Confident82.3Confident31 Ų3155.1 Ų55.112%0.11727%0.274CS..Hα-helixtrans-64.4-44.7177.117792.7000111.8N11 V12 E13 I17 K18 K19 L384 A388 I400N11-W15 PolarHBondContact O-N 3.44Å; V12-W15 WeakPolarHBondContact O-CB 3.47Å; V12-W15 PolarHBondContact O-N 3.22Å; V12-W15 VanDerWaalsContact O-N 3.16Å; E13-W15 VanDerWaalsContact C-N 3.31Å; E13-W15 PolarHBondContact O-N 3.47Å; W15-I17 VanDerWaalsContact C-N 3.29Å; W15-I17 PolarHBondContact O-N 3.19Å; W15-K18 WeakPolarHBondContact O-CB 3.35Å; W15-K18 PolarHBondContact O-N 3.36Å; W15-K18 VanDerWaalsContact O-N 3.15Å; W15-K19 HydrophobicContact CZ2-CD 4.46Å; W15-K19 PolarHBondContact O-N 3.23Å; W15-L384 HydrophobicContact CH2-CB 4.44Å; W15-L384 HydrophobicContact CH2-CD2 3.83Å; W15-L384 HydrophobicContact CH2-CG 3.69Å; W15-L384 HydrophobicContact CZ2-CD2 3.22Å; W15-L384 HydrophobicContact CZ2-CG 3.64Å; W15-L384 HydrophobicContact CZ3-CG 4.37Å; W15-A388 HydrophobicContact CE3-CB 4.42Å; W15-A388 HydrophobicContact CZ3-CB 4.08Å; W15-I400 HydrophobicContact CB-CD1 3.6Å; W15-I400 HydrophobicContact CD2-CD1 3.66Å; W15-I400 HydrophobicContact CE3-CD1 4.07Å; W15-I400 HydrophobicContact CG-CD1 3.41Å; W15-I400 VanDerWaalsContact CG-CD1 3.41Å
16K86.5Confident84.1Confident53 Ų5355.7 Ų55.723%0.2329%0.285CS..Hα-helixtrans-56-45174.7-71.8178.8-175.11690111.4V12 E13 K19 L20 A388 N389V12-K16 WeakPolarHBondContact O-CG 3.46Å; V12-K16 PolarHBondContact O-N 2.96Å; E13-K16 PolarHBondContact O-N 3.2Å; E13-K16 IonicContact OE1-NZ 3.92Å; E13-K16 PolarHBondContact OE1-NZ 3.29Å; K16-K19 PolarHBondContact O-N 2.85Å; K16-L20 VanDerWaalsContact O-CB 3.31Å; K16-L20 WeakPolarHBondContact O-CB 3.43Å; K16-L20 PolarHBondContact O-N 2.9Å; K16-A388 WeakPolarHBondContact CE-O 3.5Å; K16-A388 HydrophobicContact CG-CB 4.45Å; K16-A388 PolarHBondContact NZ-O 3.33Å; K16-N389 WeakPolarHBondContact CE-OD1 3.36Å; K16-N389 PolarHBondContact NZ-OD1 3.49Å
17I87.6Confident85Confident9 Ų951 Ų515%0.04626%0.262CS..Hα-helixtrans-66.5-41.2177.9-70.3173.3000111.6E13 I14 W15 K19 L20 I21 F114 F117 L140E13-I17 WeakPolarHBondContact O-CG1 3.4Å; E13-I17 PolarHBondContact O-N 3.36Å; I14-I17 PolarHBondContact O-N 3.48Å; W15-I17 VanDerWaalsContact C-N 3.29Å; W15-I17 PolarHBondContact O-N 3.19Å; I17-K19 VanDerWaalsContact C-N 3.33Å; I17-K19 PolarHBondContact O-N 2.99Å; I17-L20 WeakPolarHBondContact O-CB 3.34Å; I17-L20 PolarHBondContact O-N 2.83Å; I17-I21 HydrophobicContact CG2-CD1 3.91Å; I17-I21 HydrophobicContact CG2-CG1 4.3Å; I17-I21 VanDerWaalsContact O-CG1 3.28Å; I17-I21 WeakPolarHBondContact O-CG1 3.35Å; I17-I21 PolarHBondContact O-N 3.23Å; I17-F114 HydrophobicContact CD1-CE2 4.26Å; I17-F114 HydrophobicContact CG1-CE2 4.25Å; I17-F117 HydrophobicContact CD1-CD1 3.29Å; I17-F117 HydrophobicContact CD1-CE1 3.52Å; I17-L140 HydrophobicContact CB-CD2 4.46Å; I17-L140 HydrophobicContact CG2-CD1 4.48Å; I17-L140 HydrophobicContact CG2-CD2 4.09Å; I17-L140 HydrophobicContact CG2-CG 4.31Å
18K87.6Confident85.7Confident108 Ų10858.2 Ų58.247%0.4728%0.28SS..Hα-helixtrans-59.6-44.6174.3-78.2178.9175.7-173.40111.9I14 W15 L20 I21 K22 L140I14-K18 HydrophobicContact CG2-CD 4.44Å; I14-K18 WeakPolarHBondContact O-CG 3.21Å; I14-K18 PolarHBondContact O-N 3.46Å; W15-K18 WeakPolarHBondContact O-CB 3.35Å; W15-K18 PolarHBondContact O-N 3.36Å; W15-K18 VanDerWaalsContact O-N 3.15Å; K18-L20 VanDerWaalsContact C-N 3.34Å; K18-I21 PolarHBondContact O-N 3.22Å; K18-K22 PolarHBondContact O-N 3.11Å; K18-L140 HydrophobicContact CG-CD1 3.59Å; K18-L140 HydrophobicContact CG-CD2 3.81Å; K18-L140 HydrophobicContact CG-CG 4.37Å
19K87.3Confident86.1Confident98 Ų9858.4 Ų58.443%0.42628%0.283SS..Hα-helixtrans-63.6-42.2176.9-170.272.3175.5-164.30110.9W15 K16 I17 K22 S23W15-K19 HydrophobicContact CZ2-CD 4.46Å; W15-K19 PolarHBondContact O-N 3.23Å; K16-K19 PolarHBondContact O-N 2.85Å; I17-K19 VanDerWaalsContact C-N 3.33Å; I17-K19 PolarHBondContact O-N 2.99Å; K19-K22 PolarHBondContact O-N 3.46Å; K19-S23 PolarHBondContact O-N 3.47Å
20L88.8Confident85.9Confident30 Ų3063.7 Ų63.716%0.15731%0.311CS..Hα-helixtrans-60.5-49.4175.6-178.363.8000111.4K16 I17 K18 K22 S23 L24 I112 F114K16-L20 VanDerWaalsContact O-CB 3.31Å; K16-L20 WeakPolarHBondContact O-CB 3.43Å; K16-L20 PolarHBondContact O-N 2.9Å; I17-L20 WeakPolarHBondContact O-CB 3.34Å; I17-L20 PolarHBondContact O-N 2.83Å; K18-L20 VanDerWaalsContact C-N 3.34Å; L20-K22 VanDerWaalsContact C-N 3.31Å; L20-K22 PolarHBondContact O-N 3.41Å; L20-S23 PolarHBondContact O-N 2.87Å; L20-S23 VanDerWaalsContact O-N 3.08Å; L20-S23 PolarHBondContact O-OG 3.28Å; L20-L24 HydrophobicContact CD1-CD1 4.19Å; L20-L24 HydrophobicContact CD1-CG 4.21Å; L20-L24 HydrophobicContact CD2-CD1 4.43Å; L20-L24 HydrophobicContact CG-CD1 3.85Å; L20-L24 HydrophobicContact CG-CG 4.29Å; L20-L24 WeakPolarHBondContact O-CB 3.42Å; L20-L24 VanDerWaalsContact O-CG 3.31Å; L20-L24 WeakPolarHBondContact O-CG 3.42Å; L20-L24 PolarHBondContact O-N 3.26Å; L20-I112 HydrophobicContact CD1-CD1 3.58Å; L20-I112 HydrophobicContact CD1-CG2 4.21Å; L20-I112 HydrophobicContact CD2-CG2 4.35Å; L20-F114 HydrophobicContact CD2-CD1 4.11Å; L20-F114 HydrophobicContact CD2-CE1 3.4Å; L20-F114 VanDerWaalsContact CD2-CE1 3.4Å; L20-F114 HydrophobicContact CD2-CZ 3.68Å
21I90.1Very high85.7Confident11 Ų1160.1 Ų60.16%0.05631%0.308CS..Hα-helixtrans-57.2-46.2176.4-69.4170.5000110.5I17 K18 S23 L24 E25 T133 L136 L140I17-I21 HydrophobicContact CG2-CD1 3.91Å; I17-I21 HydrophobicContact CG2-CG1 4.3Å; I17-I21 VanDerWaalsContact O-CG1 3.28Å; I17-I21 WeakPolarHBondContact O-CG1 3.35Å; I17-I21 PolarHBondContact O-N 3.23Å; K18-I21 PolarHBondContact O-N 3.22Å; I21-S23 VanDerWaalsContact C-N 3.28Å; I21-S23 PolarHBondContact O-N 2.99Å; I21-L24 PolarHBondContact O-N 2.74Å; I21-L24 VanDerWaalsContact O-N 3.16Å; I21-E25 HydrophobicContact CG2-CG 4.21Å; I21-E25 WeakPolarHBondContact CG2-OE1 3.46Å; I21-E25 WeakPolarHBondContact O-CB 3.45Å; I21-E25 WeakPolarHBondContact O-CG 3.48Å; I21-E25 PolarHBondContact O-N 2.9Å; I21-T133 HydrophobicContact CG1-CG2 4.45Å; I21-T133 HydrophobicContact CG2-CG2 4.24Å; I21-L136 HydrophobicContact CD1-CB 3.69Å; I21-L136 HydrophobicContact CG1-CB 4.01Å; I21-L136 HydrophobicContact CG1-CD1 4.13Å; I21-L140 HydrophobicContact CD1-CD1 3.43Å; I21-L140 VanDerWaalsContact CD1-CD1 3.43Å; I21-L140 HydrophobicContact CD1-CG 4.31Å
22K90Very high85.7Confident143 Ų14360.1 Ų60.162%0.62231%0.309SS*.Hα-helixtrans-58-40.5176.7-170.9177.2-178.1178.20112K18 K19 L20 A26K18-K22 PolarHBondContact O-N 3.11Å; K19-K22 PolarHBondContact O-N 3.46Å; L20-K22 VanDerWaalsContact C-N 3.31Å; L20-K22 PolarHBondContact O-N 3.41Å; K22-A26 WeakPolarHBondContact O-CB 3.37Å; K22-A26 PolarHBondContact O-N 2.88Å
23S87.4Confident85.5Confident60 Ų6060.2 Ų60.242%0.4231%0.31SS..Hα-helixtrans-69.7-38.8176.976.70000112.9K19 L20 I21 A27K19-S23 PolarHBondContact O-N 3.47Å; L20-S23 PolarHBondContact O-N 2.87Å; L20-S23 VanDerWaalsContact O-N 3.08Å; L20-S23 PolarHBondContact O-OG 3.28Å; I21-S23 VanDerWaalsContact C-N 3.28Å; I21-S23 PolarHBondContact O-N 2.99Å; S23-A27 WeakPolarHBondContact O-CB 3.44Å; S23-A27 PolarHBondContact O-N 3.05Å; S23-A27 VanDerWaalsContact O-N 3.1Å
24L89.8Confident85.9Confident3 Ų357 Ų572%0.01630%0.295CS..Hα-helixtrans-71.2-35.5179.5-70.7172.1000112L20 I21 Y96 I112 F131 T133L20-L24 HydrophobicContact CD1-CD1 4.19Å; L20-L24 HydrophobicContact CD1-CG 4.21Å; L20-L24 HydrophobicContact CD2-CD1 4.43Å; L20-L24 HydrophobicContact CG-CD1 3.85Å; L20-L24 HydrophobicContact CG-CG 4.29Å; L20-L24 WeakPolarHBondContact O-CB 3.42Å; L20-L24 VanDerWaalsContact O-CG 3.31Å; L20-L24 WeakPolarHBondContact O-CG 3.42Å; L20-L24 PolarHBondContact O-N 3.26Å; I21-L24 PolarHBondContact O-N 2.74Å; I21-L24 VanDerWaalsContact O-N 3.16Å; L24-Y96 HydrophobicContact CD1-CD1 4.43Å; L24-Y96 HydrophobicContact CD1-CD2 3.51Å; L24-Y96 HydrophobicContact CD1-CE1 4.41Å; L24-Y96 HydrophobicContact CD1-CE2 3.49Å; L24-Y96 VanDerWaalsContact CD1-CE2 3.49Å; L24-Y96 HydrophobicContact CD1-CG 4Å; L24-Y96 HydrophobicContact CD2-CD2 4.27Å; L24-Y96 HydrophobicContact CD2-CG 4.04Å; L24-I112 HydrophobicContact CD2-CD1 4.1Å; L24-F131 HydrophobicContact CB-CB 4.23Å; L24-F131 HydrophobicContact CB-CD2 4.08Å; L24-F131 HydrophobicContact CD2-CD2 3.37Å; L24-F131 HydrophobicContact CD2-CE2 3.57Å; L24-F131 HydrophobicContact CD2-CG 4.02Å; L24-F131 HydrophobicContact CD2-CZ 4.4Å; L24-F131 HydrophobicContact CG-CD2 4.32Å; L24-T133 HydrophobicContact CB-CG2 3.89Å; L24-T133 HydrophobicContact CD1-CG2 4.07Å
25E89.1Confident86.2Confident109 Ų10956.5 Ų56.551%0.50929%0.293SS..Hα-helixtrans-74.3-33.6176.7-73.8178.7-178.800112.7I21 A27 T133I21-E25 HydrophobicContact CG2-CG 4.21Å; I21-E25 WeakPolarHBondContact CG2-OE1 3.46Å; I21-E25 WeakPolarHBondContact O-CB 3.45Å; I21-E25 WeakPolarHBondContact O-CG 3.48Å; I21-E25 PolarHBondContact O-N 2.9Å; E25-A27 VanDerWaalsContact C-N 3.32Å; E25-T133 HydrophobicContact CG-CG2 4.35Å; E25-T133 PolarHBondContact OE1-OG1 3.36Å
26A87.7Confident86.6Confident82 Ų8255 Ų5568%0.67829%0.287SS*.Hα-helixtrans-69.6-32.9173.600000111.9K22 R28K22-A26 WeakPolarHBondContact O-CB 3.37Å; K22-A26 PolarHBondContact O-N 2.88Å; A26-R28 PolarHBondContact O-N 3.37Å
27A86.1Confident87Confident14 Ų1452.7 Ų52.712%0.11628%0.277CS..  trans-68.5121.9177.900000112S23 E25 I100 F131S23-A27 WeakPolarHBondContact O-CB 3.44Å; S23-A27 PolarHBondContact O-N 3.05Å; S23-A27 VanDerWaalsContact O-N 3.1Å; E25-A27 VanDerWaalsContact C-N 3.32Å; A27-I100 HydrophobicContact CB-CD1 4.33Å; A27-I100 HydrophobicContact CB-CG2 3.84Å; A27-F131 HydrophobicContact CB-CD2 4.42Å; A27-F131 HydrophobicContact CB-CE2 4.45Å
28R84Confident87.4Confident193 Ų19352.3 Ų52.373%0.72828%0.275SS*.BIsolated β-bridgetrans-124.8137.7172.4-70.3-171.9178.3-173.30.8111.3A26A26-R28 PolarHBondContact O-N 3.37Å
29G81.2Confident87.7Confident10 Ų1047.2 Ų47.210%0.10325%0.253CS..  trans-95.8151.2176.700000112.4G31 N129G29-G31 VanDerWaalsContact C-N 3.3Å; G29-G31 PolarHBondContact O-N 2.91Å; G29-G31 VanDerWaalsContact O-N 3.08Å; G29-N129 PolarHBondContact N-O 2.88Å; G29-N129 VanDerWaalsContact N-O 3.09Å
30N76.2Confident88Confident143 Ų14343.5 Ų43.577%0.76524%0.239SC*.SBendtrans-82.174.2169.8-76.1-10.1000110.2
31G77.1Confident88.1Confident33 Ų3343.2 Ų43.234%0.3424%0.239SC..SBendtrans116.1-165.9178.400000113.7G29 S33 N129G29-G31 VanDerWaalsContact C-N 3.3Å; G29-G31 PolarHBondContact O-N 2.91Å; G29-G31 VanDerWaalsContact O-N 3.08Å; G31-S33 VanDerWaalsContact C-N 3.3Å; G31-S33 PolarHBondContact O-N 3.02Å; G31-N129 WeakPolarHBondContact O-CA 3.39Å; G31-N129 VanDerWaalsContact O-CB 3.31Å; G31-N129 WeakPolarHBondContact O-CB 3.01Å
32T81.1Confident88.1Confident52 Ų5252.4 Ų52.432%0.31928%0.279SS..SBendtrans-84.467.8-177.653.80000110.9N67 V71 C127T32-N67 PolarHBondContact OG1-ND2 3.1Å; T32-N67 PolarHBondContact OG1-OD1 3.41Å; T32-V71 WeakPolarHBondContact O-CG2 3.33Å; T32-C127 PolarHBondContact O-SG 3.2Å
33S82.7Confident88.2Confident4 Ų447.1 Ų47.13%0.02826%0.257CS..  trans-118.33.6-176.157.50000113.5G31 G98 D128G31-S33 VanDerWaalsContact C-N 3.3Å; G31-S33 PolarHBondContact O-N 3.02Å; S33-G98 VanDerWaalsContact O-CA 3.25Å; S33-G98 WeakPolarHBondContact O-CA 3.3Å; S33-D128 PolarHBondContact N-O 3.38Å
34M90.4Very high88.4Confident0 Ų050.5 Ų50.50%027%0.266CS..EExtended strand (participates in β ladder)trans-106.6109.4-172.8-51.2-64.6-83.800109.7I100 C127 D128 F131M34-I100 HydrophobicContact CE-CG2 3.43Å; M34-I100 VanDerWaalsContact CE-CG2 3.43Å; M34-I100 HydrophobicContact SD-CG2 4Å; M34-C127 WeakPolarHBondContact O-CA 3.28Å; M34-D128 VanDerWaalsContact CB-O 3.22Å; M34-D128 WeakPolarHBondContact CB-O 3.37Å; M34-D128 PolarHBondContact N-O 2.76Å; M34-D128 PolarHBondContact O-N 2.85Å; M34-F131 HydrophobicContact CB-CD1 3.99Å; M34-F131 HydrophobicContact CB-CE1 3.97Å; M34-F131 HydrophobicContact CE-CD1 4.02Å; M34-F131 HydrophobicContact CE-CD2 3.39Å; M34-F131 HydrophobicContact CE-CE1 3.7Å; M34-F131 HydrophobicContact CE-CE2 3.03Å; M34-F131 HydrophobicContact CE-CG 3.9Å; M34-F131 HydrophobicContact CE-CZ 3.2Å; M34-F131 HydrophobicContact SD-CE1 4.32Å; M34-F131 HydrophobicContact SD-CE2 4.43Å; M34-F131 HydrophobicContact SD-CZ 4.07Å
35I93.8Very high88.6Confident0 Ų051.4 Ų51.40%027%0.271CS..EExtended strand (participates in β ladder)trans-97.9123.4178-58.4177000109L37 A74 I75 V78 C97 Y125 L126 C127I35-L37 HydrophobicContact CG2-CB 4.46Å; I35-A74 HydrophobicContact CD1-CB 3.6Å; I35-A74 HydrophobicContact CG1-CB 4.02Å; I35-I75 HydrophobicContact CD1-CB 4.33Å; I35-I75 HydrophobicContact CD1-CG1 3.63Å; I35-V78 HydrophobicContact CB-CG2 4.21Å; I35-V78 HydrophobicContact CD1-CG2 4.08Å; I35-V78 HydrophobicContact CG2-CG2 4.03Å; I35-C97 PolarHBondContact N-O 3.25Å; I35-C97 PolarHBondContact O-N 2.91Å; I35-Y125 HydrophobicContact CG2-CD2 4.18Å; I35-Y125 HydrophobicContact CG2-CE2 3.8Å; I35-L126 WeakPolarHBondContact CA-O 3.37Å; I35-C127 HydrophobicContact CG1-CB 4.43Å
36S94.7Very high88.8Confident0 Ų049.8 Ų49.80%027%0.271CS..EExtended strand (participates in β ladder)trans-108.6114.8167.9-52.20000108Y96 L124 Y125 L126 H132S36-Y96 WeakPolarHBondContact OG-CE1 3.4Å; S36-L124 WeakPolarHBondContact O-CD2 3.2Å; S36-Y125 WeakPolarHBondContact O-CA 3.25Å; S36-L126 PolarHBondContact N-O 3.49Å; S36-L126 PolarHBondContact O-N 3.41Å; S36-H132 PolarHBondContact OG-N 2.93Å
37L94.6Very high89.1Confident4 Ų451.4 Ų51.42%0.02126%0.26CS..EExtended strand (participates in β ladder)trans-123.3121.9-179.8173.766.8000109.8I35 I39 V48 L52 V78 V95 L124 Y125I35-L37 HydrophobicContact CG2-CB 4.46Å; L37-I39 HydrophobicContact CD1-CG1 4.21Å; L37-I39 HydrophobicContact CD2-CD1 4.28Å; L37-I39 HydrophobicContact CG-CD1 4.44Å; L37-I39 HydrophobicContact CG-CG1 4.15Å; L37-V48 HydrophobicContact CD1-CG1 3.9Å; L37-V48 HydrophobicContact CD2-CG1 3.91Å; L37-L52 HydrophobicContact CD2-CD1 4.38Å; L37-V78 HydrophobicContact CD2-CG1 3.59Å; L37-V95 HydrophobicContact CB-CB 4.27Å; L37-V95 HydrophobicContact CD2-CB 4.48Å; L37-V95 PolarHBondContact N-O 2.95Å; L37-V95 PolarHBondContact O-N 3.25Å; L37-L124 CarbonylContact C-O 3.54Å; L37-L124 WeakPolarHBondContact CA-O 3.24Å; L37-Y125 HydrophobicContact CD1-CD2 4.11Å
38I94.9Very high89.5Confident1 Ų150.9 Ų50.91%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-126.6124.3177.7-56-179.9000108.4V94 I120 T122 S123 L124 A135I38-V94 HydrophobicContact CG1-CG1 4.37Å; I38-V94 HydrophobicContact CG1-CG2 4.45Å; I38-V94 HydrophobicContact CG2-CG2 4.32Å; I38-I120 HydrophobicContact CG2-CB 4.42Å; I38-I120 HydrophobicContact CG2-CD1 3.99Å; I38-I120 HydrophobicContact CG2-CG2 3.8Å; I38-T122 WeakPolarHBondContact CG2-O 3.4Å; I38-S123 WeakPolarHBondContact O-CA 3.48Å; I38-L124 HydrophobicContact CB-CB 4.1Å; I38-L124 HydrophobicContact CD1-CB 4.33Å; I38-L124 HydrophobicContact CG1-CB 4.33Å; I38-L124 PolarHBondContact N-O 3.07Å; I38-L124 PolarHBondContact O-N 3.25Å; I38-A135 HydrophobicContact CD1-CB 3.35Å
39I94.3Very high90Very high1 Ų143.6 Ų43.61%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-114.9119.7-176.8-51.1175.8000108.3L37 D43 V48 L82 V88 G92 L93L37-I39 HydrophobicContact CD1-CG1 4.21Å; L37-I39 HydrophobicContact CD2-CD1 4.28Å; L37-I39 HydrophobicContact CG-CD1 4.44Å; L37-I39 HydrophobicContact CG-CG1 4.15Å; I39-D43 HydrophobicContact CG2-CB 3.98Å; I39-V48 HydrophobicContact CD1-CB 4.26Å; I39-V48 HydrophobicContact CD1-CG1 3.97Å; I39-V48 HydrophobicContact CD1-CG2 3.99Å; I39-V48 HydrophobicContact CG1-CG1 4.45Å; I39-V48 HydrophobicContact CG1-CG2 4.16Å; I39-V48 HydrophobicContact CG2-CG2 4.28Å; I39-L82 HydrophobicContact CD1-CD1 3.88Å; I39-V88 HydrophobicContact CG2-CG1 4.13Å; I39-V88 HydrophobicContact CG2-CG2 3.7Å; I39-G92 CarbonylContact O-C 3.53Å; I39-G92 VanDerWaalsContact O-CA 3.24Å; I39-G92 WeakPolarHBondContact O-CA 3.35Å; I39-L93 HydrophobicContact CB-CB 4.31Å; I39-L93 HydrophobicContact CD1-CB 4.49Å; I39-L93 HydrophobicContact CD1-CD2 4.23Å; I39-L93 PolarHBondContact N-O 3.04Å; I39-L93 PolarHBondContact O-N 3.4Å
40P93.6Very high90.7Very high20 Ų2050 Ų5013%0.1326%0.261CS..  trans-71157.6179.229.7-33.8000111.3D43 I120P40-D43 HydrophobicContact CG-CB 4.15Å; P40-D43 WeakPolarHBondContact O-CB 3.1Å; P40-D43 PolarHBondContact O-N 3Å; P40-I120 VanDerWaalsContact CA-O 3.25Å; P40-I120 WeakPolarHBondContact CA-O 3.14Å; P40-I120 VanDerWaalsContact CB-O 3.23Å; P40-I120 WeakPolarHBondContact CB-O 3.39Å
41P92.1Very high91.6Very high24 Ų2445.4 Ų45.416%0.15624%0.236CC..THydrogen-bonded Turntrans-64.6150.7177.230.6-34.3000110D43 P90 P119 I120P41-D43 PolarHBondContact O-N 2.85Å; P41-P90 WeakPolarHBondContact CB-O 3.47Å; P41-P119 HydrophobicContact CG-CB 4Å; P41-I120 WeakPolarHBondContact CD-O 3.15Å
42K89.5Confident92.4Very high205 Ų20543.8 Ų43.889%0.89122%0.22SC*.THydrogen-bonded Turntrans74.2-8-175.4-48.5172.1178.8174.90115.8
43D92.4Very high93.1Very high31 Ų3143.8 Ų43.817%0.16623%0.225CC..  trans-72.3161.9172.1-165.617.1000111.7I39 P40 P41 R47 V88I39-D43 HydrophobicContact CG2-CB 3.98Å; P40-D43 HydrophobicContact CG-CB 4.15Å; P40-D43 WeakPolarHBondContact O-CB 3.1Å; P40-D43 PolarHBondContact O-N 3Å; P41-D43 PolarHBondContact O-N 2.85Å; D43-R47 IonicContact OD1-CZ 3.69Å; D43-R47 IonicContact OD1-NE 2.86Å; D43-R47 PolarHBondContact OD1-NE 2.82Å; D43-R47 IonicContact OD1-NH2 3.73Å; D43-R47 IonicContact OD2-CZ 3.31Å; D43-R47 VanDerWaalsContact OD2-CZ 3.31Å; D43-R47 IonicContact OD2-NE 3.2Å; D43-R47 PolarHBondContact OD2-NE 2.88Å; D43-R47 IonicContact OD2-NH2 2.63Å; D43-R47 PolarHBondContact OD2-NH2 2.93Å; D43-V88 WeakPolarHBondContact O-CG2 3.35Å
44Q92.2Very high93.7Very high131 Ų13148.1 Ų48.161%0.61225%0.248SC*.  trans-99.9129.6-177.4-63.9-175.54.500111.5S46 R47Q44-S46 VanDerWaalsContact C-N 3.25Å; Q44-S46 PolarHBondContact O-N 2.82Å; Q44-R47 HydrophobicContact CB-CB 4.42Å; Q44-R47 WeakPolarHBondContact O-CB 3.43Å; Q44-R47 PolarHBondContact O-N 3.22Å; Q44-R47 VanDerWaalsContact O-N 3.16Å
45I93.3Very high93.8Very high22 Ų2251.6 Ų51.611%0.11326%0.264CS..Hα-helixtrans-59.6-36.9176.4-67.5-174.3000111.7R47 V48 A49 L82 Y85 V88I45-R47 VanDerWaalsContact C-N 3.28Å; I45-R47 PolarHBondContact O-N 2.94Å; I45-V48 PolarHBondContact O-N 2.81Å; I45-V48 VanDerWaalsContact O-N 3.16Å; I45-A49 WeakPolarHBondContact O-CB 3.48Å; I45-A49 PolarHBondContact O-N 2.8Å; I45-L82 HydrophobicContact CG2-CD1 3.91Å; I45-L82 HydrophobicContact CG2-CD2 4.03Å; I45-L82 HydrophobicContact CG2-CG 3.69Å; I45-Y85 WeakPolarHBondContact CD1-O 3.45Å; I45-V88 HydrophobicContact CD1-CG2 4.37Å; I45-V88 HydrophobicContact CG1-CG2 3.63Å
46S93.1Very high93.9Very high75 Ų7555.2 Ų55.252%0.52428%0.28SS..Hα-helixtrans-58.9-37.617852.80000113Q44 A49 K50Q44-S46 VanDerWaalsContact C-N 3.25Å; Q44-S46 PolarHBondContact O-N 2.82Å; S46-A49 PolarHBondContact O-N 3.08Å; S46-K50 WeakPolarHBondContact O-CB 3.25Å; S46-K50 PolarHBondContact O-N 3.29Å
47R94Very high93.8Very high117 Ų11757.1 Ų57.144%0.44230%0.3SS..Hα-helixtrans-62-46.4176-172.8-17477.387-1.7110.8D43 Q44 I45 K50 M51D43-R47 IonicContact OD1-CZ 3.69Å; D43-R47 IonicContact OD1-NE 2.86Å; D43-R47 PolarHBondContact OD1-NE 2.82Å; D43-R47 IonicContact OD1-NH2 3.73Å; D43-R47 IonicContact OD2-CZ 3.31Å; D43-R47 VanDerWaalsContact OD2-CZ 3.31Å; D43-R47 IonicContact OD2-NE 3.2Å; D43-R47 PolarHBondContact OD2-NE 2.88Å; D43-R47 IonicContact OD2-NH2 2.63Å; D43-R47 PolarHBondContact OD2-NH2 2.93Å; Q44-R47 HydrophobicContact CB-CB 4.42Å; Q44-R47 WeakPolarHBondContact O-CB 3.43Å; Q44-R47 PolarHBondContact O-N 3.22Å; Q44-R47 VanDerWaalsContact O-N 3.16Å; I45-R47 VanDerWaalsContact C-N 3.28Å; I45-R47 PolarHBondContact O-N 2.94Å; R47-K50 PolarHBondContact O-N 3.36Å; R47-M51 PolarHBondContact O-N 3.2Å; R47-M51 VanDerWaalsContact O-N 3.07Å
48V94.4Very high93.7Very high2 Ų260.8 Ų60.81%0.01232%0.322CS..Hα-helixtrans-69.8-40.4179.3-178.20000111.1L37 I39 I45 K50 M51 L52 L82L37-V48 HydrophobicContact CD1-CG1 3.9Å; L37-V48 HydrophobicContact CD2-CG1 3.91Å; I39-V48 HydrophobicContact CD1-CB 4.26Å; I39-V48 HydrophobicContact CD1-CG1 3.97Å; I39-V48 HydrophobicContact CD1-CG2 3.99Å; I39-V48 HydrophobicContact CG1-CG1 4.45Å; I39-V48 HydrophobicContact CG1-CG2 4.16Å; I39-V48 HydrophobicContact CG2-CG2 4.28Å; I45-V48 PolarHBondContact O-N 2.81Å; I45-V48 VanDerWaalsContact O-N 3.16Å; V48-K50 VanDerWaalsContact C-N 3.3Å; V48-K50 PolarHBondContact O-N 3.34Å; V48-M51 WeakPolarHBondContact O-CB 3.48Å; V48-M51 PolarHBondContact O-N 2.83Å; V48-L52 HydrophobicContact CG1-CD1 4.3Å; V48-L52 HydrophobicContact CG1-CG 4.47Å; V48-L52 WeakPolarHBondContact O-CG 3.29Å; V48-L52 PolarHBondContact O-N 3.45Å; V48-L82 HydrophobicContact CB-CD2 4.26Å; V48-L82 HydrophobicContact CG1-CD2 4Å
49A94.4Very high93.5Very high41 Ų4161 Ų6134%0.33932%0.324SS..Hα-helixtrans-60.5-39.8175.400000112I45 S46 L52 A53 L82I45-A49 WeakPolarHBondContact O-CB 3.48Å; I45-A49 PolarHBondContact O-N 2.8Å; S46-A49 PolarHBondContact O-N 3.08Å; A49-L52 PolarHBondContact O-N 3.02Å; A49-A53 PolarHBondContact O-N 3.32Å; A49-A53 VanDerWaalsContact O-N 3.08Å; A49-L82 HydrophobicContact CB-CD2 4.23Å
50K95.8Very high93.5Very high143 Ų14363.7 Ų63.762%0.62234%0.343SS*.Hα-helixtrans-64.2-47.6173.5-174.8-178.5176.3-176.10111.6S46 R47 V48 L52 A53 D54S46-K50 WeakPolarHBondContact O-CB 3.25Å; S46-K50 PolarHBondContact O-N 3.29Å; R47-K50 PolarHBondContact O-N 3.36Å; V48-K50 VanDerWaalsContact C-N 3.3Å; V48-K50 PolarHBondContact O-N 3.34Å; K50-L52 VanDerWaalsContact C-N 3.31Å; K50-L52 PolarHBondContact O-N 3.28Å; K50-A53 WeakPolarHBondContact O-CB 3.43Å; K50-A53 PolarHBondContact O-N 3.49Å; K50-D54 PolarHBondContact O-N 3.49Å
51M95.2Very high93.4Very high47 Ų4769 Ų6923%0.23237%0.37CS..Hα-helixtrans-55.1-46.7175.8-178-142.5-62.400111.4R47 V48 A53 D54 E55 Y125R47-M51 PolarHBondContact O-N 3.2Å; R47-M51 VanDerWaalsContact O-N 3.07Å; V48-M51 WeakPolarHBondContact O-CB 3.48Å; V48-M51 PolarHBondContact O-N 2.83Å; M51-A53 VanDerWaalsContact C-N 3.27Å; M51-A53 PolarHBondContact O-N 2.88Å; M51-D54 PolarHBondContact O-N 2.86Å; M51-E55 WeakPolarHBondContact O-CG 3.42Å; M51-E55 PolarHBondContact O-N 3.39Å; M51-Y125 HydrophobicContact SD-CD1 4.02Å; M51-Y125 HydrophobicContact SD-CD2 4.38Å; M51-Y125 HydrophobicContact SD-CG 3.86Å
52L94.7Very high93.3Very high0 Ų070 Ų700%037%0.374CS..Hα-helixtrans-63.7-31.2177.2-68.7172.3000112.9L37 V48 A49 K50 F56 I75 V78 Q79 L82 Y125L37-L52 HydrophobicContact CD2-CD1 4.38Å; V48-L52 HydrophobicContact CG1-CD1 4.3Å; V48-L52 HydrophobicContact CG1-CG 4.47Å; V48-L52 WeakPolarHBondContact O-CG 3.29Å; V48-L52 PolarHBondContact O-N 3.45Å; A49-L52 PolarHBondContact O-N 3.02Å; K50-L52 VanDerWaalsContact C-N 3.31Å; K50-L52 PolarHBondContact O-N 3.28Å; L52-F56 WeakPolarHBondContact O-CB 3.37Å; L52-F56 PolarHBondContact O-N 2.95Å; L52-I75 HydrophobicContact CB-CG2 4.37Å; L52-I75 WeakPolarHBondContact O-CG2 3.49Å; L52-V78 HydrophobicContact CD1-CB 4.42Å; L52-V78 HydrophobicContact CD1-CG1 3.64Å; L52-V78 HydrophobicContact CD2-CG1 4.28Å; L52-Q79 HydrophobicContact CB-CG 3.93Å; L52-Q79 HydrophobicContact CD1-CG 4.07Å; L52-Q79 PolarHBondContact O-NE2 2.75Å; L52-L82 HydrophobicContact CD1-CD2 3.93Å; L52-Y125 HydrophobicContact CD2-CD2 4.2Å; L52-Y125 HydrophobicContact CD2-CE2 3.56Å
53A95.1Very high93.4Very high51 Ų5170.3 Ų70.342%0.42138%0.375SS..Hα-helixtrans-72.1-39.4175.600000111.9A49 K50 M51 F56 G57A49-A53 PolarHBondContact O-N 3.32Å; A49-A53 VanDerWaalsContact O-N 3.08Å; K50-A53 WeakPolarHBondContact O-CB 3.43Å; K50-A53 PolarHBondContact O-N 3.49Å; M51-A53 VanDerWaalsContact C-N 3.27Å; M51-A53 PolarHBondContact O-N 2.88Å; A53-F56 WeakPolarHBondContact O-CB 3.32Å; A53-F56 PolarHBondContact O-N 3.06Å; A53-G57 PolarHBondContact O-N 2.95Å; A53-G57 VanDerWaalsContact O-N 3.12Å
54D95.1Very high93.2Very high96 Ų9671.9 Ų71.951%0.51339%0.389SS..Hα-helixtrans-63.8-44174.5-64.2-25.8000110.3K50 M51 F56 G57 T58K50-D54 PolarHBondContact O-N 3.49Å; M51-D54 PolarHBondContact O-N 2.86Å; D54-F56 VanDerWaalsContact C-N 3.34Å; D54-F56 PolarHBondContact O-N 3.29Å; D54-G57 PolarHBondContact O-N 3.33Å; D54-G57 VanDerWaalsContact O-N 3.12Å; D54-T58 PolarHBondContact O-N 2.62Å
55E93.2Very high93.1Very high73 Ų7375.5 Ų75.534%0.34140%0.397SS..Hα-helixtrans-64.8-33.9175.2-71.1-64.8140.700113.2M51 G57 T58 A59 I75 Y125M51-E55 WeakPolarHBondContact O-CG 3.42Å; M51-E55 PolarHBondContact O-N 3.39Å; E55-G57 VanDerWaalsContact C-N 3.31Å; E55-G57 PolarHBondContact O-N 2.97Å; E55-T58 WeakPolarHBondContact CA-OG1 3.45Å; E55-T58 PolarHBondContact O-N 3.22Å; E55-T58 PolarHBondContact O-OG1 3.04Å; E55-A59 WeakPolarHBondContact O-CB 3.48Å; E55-A59 PolarHBondContact O-N 3.33Å; E55-I75 HydrophobicContact CB-CD1 4.21Å; E55-Y125 HydrophobicContact CB-CE1 4.5Å; E55-Y125 HydrophobicContact CG-CE1 3.65Å
56F94.5Very high92.8Very high76 Ų7679.7 Ų79.733%0.33342%0.423SS..Hα-helixtrans-63.6-40172.1-170.6-87.7000111.3L52 A53 D54 S60 L72 I75 T76L52-F56 WeakPolarHBondContact O-CB 3.37Å; L52-F56 PolarHBondContact O-N 2.95Å; A53-F56 WeakPolarHBondContact O-CB 3.32Å; A53-F56 PolarHBondContact O-N 3.06Å; D54-F56 VanDerWaalsContact C-N 3.34Å; D54-F56 PolarHBondContact O-N 3.29Å; F56-S60 PolarHBondContact O-N 3.39Å; F56-L72 HydrophobicContact CD1-CD2 4.11Å; F56-L72 HydrophobicContact CD2-CD2 3.67Å; F56-L72 HydrophobicContact CE1-CD2 4.02Å; F56-L72 HydrophobicContact CE2-CB 3.98Å; F56-L72 HydrophobicContact CE2-CD2 3.56Å; F56-L72 HydrophobicContact CE2-CG 4.32Å; F56-L72 HydrophobicContact CG-CD2 3.95Å; F56-L72 HydrophobicContact CZ-CB 4.44Å; F56-L72 HydrophobicContact CZ-CD2 3.75Å; F56-L72 WeakPolarHBondContact O-CD2 3.16Å; F56-I75 HydrophobicContact CB-CG2 4.06Å; F56-I75 HydrophobicContact CD2-CB 4.22Å; F56-I75 HydrophobicContact CD2-CG2 3.96Å; F56-T76 WeakPolarHBondContact CE2-OG1 3.42Å
57G94.3Very high92.5Very high40 Ų4078.2 Ų78.241%0.41241%0.409SS..Hα-helixtrans-64.7-44.3176.100000112.8A53 D54 E55 S60A53-G57 PolarHBondContact O-N 2.95Å; A53-G57 VanDerWaalsContact O-N 3.12Å; D54-G57 PolarHBondContact O-N 3.33Å; D54-G57 VanDerWaalsContact O-N 3.12Å; E55-G57 VanDerWaalsContact C-N 3.31Å; E55-G57 PolarHBondContact O-N 2.97Å; G57-S60 WeakPolarHBondContact O-CB 3.34Å; G57-S60 PolarHBondContact O-N 2.9Å
58T92.1Very high92.3Very high80 Ų8077 Ų7749%0.49141%0.405SS..Hα-helixtrans-66.8-41.6176.858.10000111.6D54 E55 S60 N61D54-T58 PolarHBondContact O-N 2.62Å; E55-T58 WeakPolarHBondContact CA-OG1 3.45Å; E55-T58 PolarHBondContact O-N 3.22Å; E55-T58 PolarHBondContact O-OG1 3.04Å; T58-S60 PolarHBondContact O-N 3.19Å; T58-N61 WeakPolarHBondContact O-CB 3.46Å; T58-N61 PolarHBondContact O-N 3.32Å; T58-N61 VanDerWaalsContact O-N 3.1Å
59A91.1Very high92.1Very high6 Ų683.1 Ų83.15%0.0544%0.437CS..Hα-helixtrans-61.8-28177.600000113.4E55 N61 I62 V71 L72 I75E55-A59 WeakPolarHBondContact O-CB 3.48Å; E55-A59 PolarHBondContact O-N 3.33Å; A59-N61 PolarHBondContact O-N 2.96Å; A59-I62 HydrophobicContact CB-CD1 4.17Å; A59-I62 WeakPolarHBondContact O-CB 3.42Å; A59-I62 WeakPolarHBondContact O-CD1 3.43Å; A59-I62 VanDerWaalsContact O-CG1 3.23Å; A59-I62 WeakPolarHBondContact O-CG1 3.33Å; A59-I62 PolarHBondContact O-N 3.44Å; A59-I62 VanDerWaalsContact O-N 3.14Å; A59-V71 HydrophobicContact CB-CB 4.41Å; A59-V71 HydrophobicContact CB-CG1 3.57Å; A59-L72 HydrophobicContact CB-CD2 3.88Å; A59-I75 HydrophobicContact CB-CD1 4.16Å
60S92.6Very high91.8Very high57 Ų5783 Ų8340%0.39943%0.433SS..Hα-helixtrans-61.2-27.5175.7-166.80000113.1F56 G57 T58 I62 R68F56-S60 PolarHBondContact O-N 3.39Å; G57-S60 WeakPolarHBondContact O-CB 3.34Å; G57-S60 PolarHBondContact O-N 2.9Å; T58-S60 PolarHBondContact O-N 3.19Å; S60-I62 VanDerWaalsContact C-N 3.27Å; S60-I62 PolarHBondContact O-N 3.02Å; S60-R68 WeakPolarHBondContact O-CD 3.41Å; S60-R68 PolarHBondContact O-NH1 3.15Å
61N92.3Very high91.5Very high133 Ų13376.7 Ų76.771%0.71141%0.407SS*.THydrogen-bonded Turntrans-80.1-2.2179.4-63-40.9000113.9T58 A59 K63T58-N61 WeakPolarHBondContact O-CB 3.46Å; T58-N61 PolarHBondContact O-N 3.32Å; T58-N61 VanDerWaalsContact O-N 3.1Å; A59-N61 PolarHBondContact O-N 2.96Å; N61-K63 PolarHBondContact O-N 3.46Å
62I89.9Confident91.4Very high45 Ų4576 Ų7623%0.23140%0.404CS..  trans-63.7125.5176.7-65.6169.5000109.9A59 S60 N67 R68 V71A59-I62 HydrophobicContact CB-CD1 4.17Å; A59-I62 WeakPolarHBondContact O-CB 3.42Å; A59-I62 WeakPolarHBondContact O-CD1 3.43Å; A59-I62 VanDerWaalsContact O-CG1 3.23Å; A59-I62 WeakPolarHBondContact O-CG1 3.33Å; A59-I62 PolarHBondContact O-N 3.44Å; A59-I62 VanDerWaalsContact O-N 3.14Å; S60-I62 VanDerWaalsContact C-N 3.27Å; S60-I62 PolarHBondContact O-N 3.02Å; I62-N67 HydrophobicContact CG2-CB 4.38Å; I62-R68 HydrophobicContact CB-CB 3.92Å; I62-R68 HydrophobicContact CB-CG 4.3Å; I62-R68 HydrophobicContact CG2-CB 4.02Å; I62-R68 WeakPolarHBondContact O-CD 3.34Å; I62-V71 HydrophobicContact CD1-CB 4.3Å; I62-V71 HydrophobicContact CD1-CG1 4.44Å; I62-V71 HydrophobicContact CD1-CG2 4.03Å
63K91.7Very high91.2Very high210 Ų21077.4 Ų77.491%0.91342%0.419SS*.SBendtrans-70.3-36-177.1-63.3-178.4-178.4178.60113.3N61 R65N61-K63 PolarHBondContact O-N 3.46Å; K63-R65 PolarHBondContact O-N 2.93Å
64S89.1Confident91Very high65 Ų6575.2 Ų75.246%0.45540%0.401SS..  trans-72.1114.8178.8176.70000110.3V66 N67 R68S64-V66 VanDerWaalsContact C-N 3.34Å; S64-V66 PolarHBondContact O-N 2.85Å; S64-N67 PolarHBondContact O-N 3.24Å; S64-R68 WeakPolarHBondContact O-CB 3.48Å; S64-R68 PolarHBondContact O-N 3.02Å
65R88.8Confident91Very high207 Ų20770.7 Ų70.778%0.78138%0.377SS*.Hα-helixtrans-57.4-44.3-177.7-179.3-178.8172.9-172.9-2.2112.4K63 L69K63-R65 PolarHBondContact O-N 2.93Å; R65-L69 PolarHBondContact O-N 2.94Å; R65-L69 VanDerWaalsContact O-N 3.11Å
66V87.6Confident91Very high109 Ų10969.5 Ų69.566%0.66137%0.374SS*.Hα-helixtrans-69.7-46.5-176.9-179.10000110.8S64 R68 L69 S70S64-V66 VanDerWaalsContact C-N 3.34Å; S64-V66 PolarHBondContact O-N 2.85Å; V66-R68 PolarHBondContact O-N 3.09Å; V66-L69 PolarHBondContact O-N 3.42Å; V66-S70 PolarHBondContact O-N 3.3Å; V66-S70 VanDerWaalsContact O-N 3.13Å; V66-S70 PolarHBondContact O-OG 3.26Å
67N86.4Confident90.9Very high45 Ų4566.7 Ų66.724%0.24136%0.364CS..Hα-helixtrans-66.1-41.6179-164.624.1000111.3T32 I62 S64 L69 S70 V71T32-N67 PolarHBondContact OG1-ND2 3.1Å; T32-N67 PolarHBondContact OG1-OD1 3.41Å; I62-N67 HydrophobicContact CG2-CB 4.38Å; S64-N67 PolarHBondContact O-N 3.24Å; N67-L69 PolarHBondContact O-N 2.82Å; N67-S70 PolarHBondContact O-N 2.96Å; N67-V71 WeakPolarHBondContact O-CG2 3.24Å; N67-V71 PolarHBondContact O-N 3.14Å
68R90.2Very high90.9Very high91 Ų9164.8 Ų64.834%0.34334%0.344SS..Hα-helixtrans-57-48.4175.7-178.3172.561.8-169.81.1111.9S60 I62 S64 V66 S70 V71 L72S60-R68 WeakPolarHBondContact O-CD 3.41Å; S60-R68 PolarHBondContact O-NH1 3.15Å; I62-R68 HydrophobicContact CB-CB 3.92Å; I62-R68 HydrophobicContact CB-CG 4.3Å; I62-R68 HydrophobicContact CG2-CB 4.02Å; I62-R68 WeakPolarHBondContact O-CD 3.34Å; S64-R68 WeakPolarHBondContact O-CB 3.48Å; S64-R68 PolarHBondContact O-N 3.02Å; V66-R68 PolarHBondContact O-N 3.09Å; R68-S70 VanDerWaalsContact C-N 3.27Å; R68-S70 PolarHBondContact O-N 3.27Å; R68-V71 PolarHBondContact O-N 2.59Å; R68-L72 HydrophobicContact CG-CD1 3.71Å; R68-L72 HydrophobicContact CG-CG 4.23Å; R68-L72 WeakPolarHBondContact O-CB 3.35Å; R68-L72 WeakPolarHBondContact O-CG 3.46Å; R68-L72 PolarHBondContact O-N 3.41Å
69L89.9Confident90.9Very high131 Ų13163.2 Ų63.269%0.68633%0.331SS*.Hα-helixtrans-61.3-39.5179.5-174.169.1000111.6R65 V66 N67 G73R65-L69 PolarHBondContact O-N 2.94Å; R65-L69 VanDerWaalsContact O-N 3.11Å; V66-L69 PolarHBondContact O-N 3.42Å; N67-L69 PolarHBondContact O-N 2.82Å; L69-G73 PolarHBondContact O-N 3.48Å
70S88.2Confident91Very high38 Ų3868.2 Ų68.227%0.26635%0.354SS..Hα-helixtrans-66-48.2-179.9-55.70000111.8V66 N67 R68 G73 A74V66-S70 PolarHBondContact O-N 3.3Å; V66-S70 VanDerWaalsContact O-N 3.13Å; V66-S70 PolarHBondContact O-OG 3.26Å; N67-S70 PolarHBondContact O-N 2.96Å; R68-S70 VanDerWaalsContact C-N 3.27Å; R68-S70 PolarHBondContact O-N 3.27Å; S70-G73 PolarHBondContact O-N 3.02Å; S70-A74 WeakPolarHBondContact O-CB 3.39Å; S70-A74 PolarHBondContact O-N 3.47Å
71V90.2Very high91Very high10 Ų1069.8 Ų69.86%0.06135%0.351CS..Hα-helixtrans-62.6-48.1177.4177.70000111.1T32 A59 I62 N67 R68 G73 A74 I75T32-V71 WeakPolarHBondContact O-CG2 3.33Å; A59-V71 HydrophobicContact CB-CB 4.41Å; A59-V71 HydrophobicContact CB-CG1 3.57Å; I62-V71 HydrophobicContact CD1-CB 4.3Å; I62-V71 HydrophobicContact CD1-CG1 4.44Å; I62-V71 HydrophobicContact CD1-CG2 4.03Å; N67-V71 WeakPolarHBondContact O-CG2 3.24Å; N67-V71 PolarHBondContact O-N 3.14Å; R68-V71 PolarHBondContact O-N 2.59Å; V71-G73 VanDerWaalsContact C-N 3.3Å; V71-G73 PolarHBondContact O-N 3.31Å; V71-A74 PolarHBondContact O-N 2.89Å; V71-I75 HydrophobicContact CG1-CD1 3.84Å; V71-I75 HydrophobicContact CG1-CG1 4.4Å; V71-I75 WeakPolarHBondContact O-CG1 3.31Å; V71-I75 PolarHBondContact O-N 3.27Å
72L92Very high91Very high32 Ų3263.7 Ų63.717%0.16832%0.318CS..Hα-helixtrans-61.9-40179.1-67.8174.7000111.5F56 A59 R68 T76F56-L72 HydrophobicContact CD1-CD2 4.11Å; F56-L72 HydrophobicContact CD2-CD2 3.67Å; F56-L72 HydrophobicContact CE1-CD2 4.02Å; F56-L72 HydrophobicContact CE2-CB 3.98Å; F56-L72 HydrophobicContact CE2-CD2 3.56Å; F56-L72 HydrophobicContact CE2-CG 4.32Å; F56-L72 HydrophobicContact CG-CD2 3.95Å; F56-L72 HydrophobicContact CZ-CB 4.44Å; F56-L72 HydrophobicContact CZ-CD2 3.75Å; F56-L72 WeakPolarHBondContact O-CD2 3.16Å; A59-L72 HydrophobicContact CB-CD2 3.88Å; R68-L72 HydrophobicContact CG-CD1 3.71Å; R68-L72 HydrophobicContact CG-CG 4.23Å; R68-L72 WeakPolarHBondContact O-CB 3.35Å; R68-L72 WeakPolarHBondContact O-CG 3.46Å; R68-L72 PolarHBondContact O-N 3.41Å; L72-T76 WeakPolarHBondContact O-CB 3.29Å; L72-T76 PolarHBondContact O-N 2.86Å; L72-T76 PolarHBondContact O-OG1 3.3Å
73G91Very high91.1Very high31 Ų3169.4 Ų69.432%0.3234%0.341SS..Hα-helixtrans-63.2-41.6175.200000113.2L69 S70 V71 S77L69-G73 PolarHBondContact O-N 3.48Å; S70-G73 PolarHBondContact O-N 3.02Å; V71-G73 VanDerWaalsContact C-N 3.3Å; V71-G73 PolarHBondContact O-N 3.31Å; G73-S77 PolarHBondContact O-N 3.19Å; G73-S77 PolarHBondContact O-OG 3.19Å
74A91.8Very high91.2Very high5 Ų564.5 Ų64.54%0.04133%0.325CS..Hα-helixtrans-65.9-48.4176.900000111.5I35 S70 V71 T76 S77 V78I35-A74 HydrophobicContact CD1-CB 3.6Å; I35-A74 HydrophobicContact CG1-CB 4.02Å; S70-A74 WeakPolarHBondContact O-CB 3.39Å; S70-A74 PolarHBondContact O-N 3.47Å; V71-A74 PolarHBondContact O-N 2.89Å; A74-T76 VanDerWaalsContact C-N 3.31Å; A74-T76 PolarHBondContact O-N 3.47Å; A74-S77 WeakPolarHBondContact O-CB 3.43Å; A74-S77 PolarHBondContact O-N 3.34Å; A74-S77 VanDerWaalsContact O-N 3.09Å; A74-V78 WeakPolarHBondContact O-CG2 3.38Å; A74-V78 PolarHBondContact O-N 2.97Å
75I93.4Very high91.3Very high1 Ų164.2 Ų64.21%0.00531%0.314CS..Hα-helixtrans-60.4-42.8177.8-64.6172000110.6I35 L52 E55 F56 A59 V71 S77 V78 Q79I35-I75 HydrophobicContact CD1-CB 4.33Å; I35-I75 HydrophobicContact CD1-CG1 3.63Å; L52-I75 HydrophobicContact CB-CG2 4.37Å; L52-I75 WeakPolarHBondContact O-CG2 3.49Å; E55-I75 HydrophobicContact CB-CD1 4.21Å; F56-I75 HydrophobicContact CB-CG2 4.06Å; F56-I75 HydrophobicContact CD2-CB 4.22Å; F56-I75 HydrophobicContact CD2-CG2 3.96Å; A59-I75 HydrophobicContact CB-CD1 4.16Å; V71-I75 HydrophobicContact CG1-CD1 3.84Å; V71-I75 HydrophobicContact CG1-CG1 4.4Å; V71-I75 WeakPolarHBondContact O-CG1 3.31Å; V71-I75 PolarHBondContact O-N 3.27Å; I75-S77 VanDerWaalsContact C-N 3.28Å; I75-S77 PolarHBondContact O-N 3.49Å; I75-V78 PolarHBondContact O-N 3.46Å; I75-Q79 HydrophobicContact CG2-CG 4.31Å; I75-Q79 WeakPolarHBondContact O-CB 3.49Å; I75-Q79 WeakPolarHBondContact O-CG 3.33Å; I75-Q79 PolarHBondContact O-N 3.04Å
76T93.8Very high91.4Very high48 Ų4862.2 Ų62.229%0.29432%0.319SS..Hα-helixtrans-60-40.7176.7-560000111.3F56 L72 A74 Q79 Q80F56-T76 WeakPolarHBondContact CE2-OG1 3.42Å; L72-T76 WeakPolarHBondContact O-CB 3.29Å; L72-T76 PolarHBondContact O-N 2.86Å; L72-T76 PolarHBondContact O-OG1 3.3Å; A74-T76 VanDerWaalsContact C-N 3.31Å; A74-T76 PolarHBondContact O-N 3.47Å; T76-Q79 PolarHBondContact O-N 3.37Å; T76-Q80 VanDerWaalsContact O-CG 3.3Å; T76-Q80 WeakPolarHBondContact O-CG 3.28Å; T76-Q80 PolarHBondContact O-N 2.88Å
77S92.7Very high91.6Very high16 Ų1665.1 Ų65.111%0.11232%0.322CS..Hα-helixtrans-64.9-45.1178.7-57.70000111.4G73 A74 I75 Q79 Q80 R81G73-S77 PolarHBondContact O-N 3.19Å; G73-S77 PolarHBondContact O-OG 3.19Å; A74-S77 WeakPolarHBondContact O-CB 3.43Å; A74-S77 PolarHBondContact O-N 3.34Å; A74-S77 VanDerWaalsContact O-N 3.09Å; I75-S77 VanDerWaalsContact C-N 3.28Å; I75-S77 PolarHBondContact O-N 3.49Å; S77-Q79 PolarHBondContact O-N 2.83Å; S77-Q80 PolarHBondContact O-N 2.79Å; S77-R81 WeakPolarHBondContact O-CG 3.49Å; S77-R81 PolarHBondContact O-N 2.94Å
78V93.9Very high91.9Very high0 Ų063.4 Ų63.40%031%0.314CS..Hα-helixtrans-61.1-45.91751790000110.9I35 L37 L52 A74 I75 Q80 R81 L82 V95 C97I35-V78 HydrophobicContact CB-CG2 4.21Å; I35-V78 HydrophobicContact CD1-CG2 4.08Å; I35-V78 HydrophobicContact CG2-CG2 4.03Å; L37-V78 HydrophobicContact CD2-CG1 3.59Å; L52-V78 HydrophobicContact CD1-CB 4.42Å; L52-V78 HydrophobicContact CD1-CG1 3.64Å; L52-V78 HydrophobicContact CD2-CG1 4.28Å; A74-V78 WeakPolarHBondContact O-CG2 3.38Å; A74-V78 PolarHBondContact O-N 2.97Å; I75-V78 PolarHBondContact O-N 3.46Å; V78-Q80 VanDerWaalsContact C-N 3.31Å; V78-Q80 PolarHBondContact O-N 3.28Å; V78-R81 PolarHBondContact O-N 2.9Å; V78-L82 VanDerWaalsContact O-CB 3.3Å; V78-L82 WeakPolarHBondContact O-CB 3.42Å; V78-L82 PolarHBondContact O-N 3Å; V78-V95 HydrophobicContact CG1-CG1 4.3Å; V78-C97 HydrophobicContact CG2-CB 3.35Å; V78-C97 VanDerWaalsContact CG2-SG 3.58Å
79Q93.3Very high92Very high48 Ų4860 Ų6022%0.22430%0.303CS..Hα-helixtrans-60.6-40178.3-74.5179.5-8.600112.2L52 I75 T76 S77 K83L52-Q79 HydrophobicContact CB-CG 3.93Å; L52-Q79 HydrophobicContact CD1-CG 4.07Å; L52-Q79 PolarHBondContact O-NE2 2.75Å; I75-Q79 HydrophobicContact CG2-CG 4.31Å; I75-Q79 WeakPolarHBondContact O-CB 3.49Å; I75-Q79 WeakPolarHBondContact O-CG 3.33Å; I75-Q79 PolarHBondContact O-N 3.04Å; T76-Q79 PolarHBondContact O-N 3.37Å; S77-Q79 PolarHBondContact O-N 2.83Å; Q79-K83 WeakPolarHBondContact O-CG 3.33Å; Q79-K83 PolarHBondContact O-N 3.4Å
80Q93.3Very high91.9Very high111 Ų11158.6 Ų58.652%0.51930%0.302SS..Hα-helixtrans-66.1-40.8176.6-74.8176.9-500112.2T76 S77 V78T76-Q80 VanDerWaalsContact O-CG 3.3Å; T76-Q80 WeakPolarHBondContact O-CG 3.28Å; T76-Q80 PolarHBondContact O-N 2.88Å; S77-Q80 PolarHBondContact O-N 2.79Å; V78-Q80 VanDerWaalsContact C-N 3.31Å; V78-Q80 PolarHBondContact O-N 3.28Å
81R91.2Very high92Very high90 Ų9059 Ų5934%0.3430%0.301SS..Hα-helixtrans-65.6-45174.2-69.8-64.194.2156.52111.8S77 V78 K83 L84 D113S77-R81 WeakPolarHBondContact O-CG 3.49Å; S77-R81 PolarHBondContact O-N 2.94Å; V78-R81 PolarHBondContact O-N 2.9Å; R81-K83 PolarHBondContact O-N 3.19Å; R81-L84 VanDerWaalsContact O-CB 3.26Å; R81-L84 WeakPolarHBondContact O-CB 3.43Å; R81-L84 WeakPolarHBondContact O-CG 3.46Å; R81-L84 PolarHBondContact O-N 2.94Å; R81-D113 VanDerWaalsContact CD-OD1 3.27Å; R81-D113 WeakPolarHBondContact CD-OD1 3.39Å
82L93.1Very high92.1Very high4 Ų458.5 Ų58.52%0.02130%0.298CS..Hα-helixtrans-61.3-30.7-178.4-169.264.8000112.3I39 I45 V48 A49 L52 V78 L84 Y85 L93I39-L82 HydrophobicContact CD1-CD1 3.88Å; I45-L82 HydrophobicContact CG2-CD1 3.91Å; I45-L82 HydrophobicContact CG2-CD2 4.03Å; I45-L82 HydrophobicContact CG2-CG 3.69Å; V48-L82 HydrophobicContact CB-CD2 4.26Å; V48-L82 HydrophobicContact CG1-CD2 4Å; A49-L82 HydrophobicContact CB-CD2 4.23Å; L52-L82 HydrophobicContact CD1-CD2 3.93Å; V78-L82 VanDerWaalsContact O-CB 3.3Å; V78-L82 WeakPolarHBondContact O-CB 3.42Å; V78-L82 PolarHBondContact O-N 3Å; L82-L84 PolarHBondContact O-N 3.2Å; L82-Y85 PolarHBondContact O-N 3.06Å; L82-Y85 VanDerWaalsContact O-N 3.15Å; L82-L93 HydrophobicContact CD1-CD2 4.03Å
83K92.3Very high92.1Very high165 Ų16557 Ų5772%0.71729%0.29SS*.THydrogen-bonded Turntrans-65.1-20.4174-75.6174.4-175.3-177.30114.4Q79 R81 Y85Q79-K83 WeakPolarHBondContact O-CG 3.33Å; Q79-K83 PolarHBondContact O-N 3.4Å; R81-K83 PolarHBondContact O-N 3.19Å; K83-Y85 PolarHBondContact O-N 3.22Å
84L92.8Very high92.3Very high108 Ų10855.5 Ų55.557%0.56528%0.275SS*.THydrogen-bonded Turntrans-70.4-21.4175.2-59.4174.9000111.6R81 L82R81-L84 VanDerWaalsContact O-CB 3.26Å; R81-L84 WeakPolarHBondContact O-CB 3.43Å; R81-L84 WeakPolarHBondContact O-CG 3.46Å; R81-L84 PolarHBondContact O-N 2.94Å; L82-L84 PolarHBondContact O-N 3.2Å
85Y92.5Very high92.4Very high59 Ų5955.3 Ų55.323%0.23127%0.274CS..  trans-101.5119.9-178.7-63.7-87.7000110.7I45 L82 K83 P89 L93 D113I45-Y85 WeakPolarHBondContact CD1-O 3.45Å; L82-Y85 PolarHBondContact O-N 3.06Å; L82-Y85 VanDerWaalsContact O-N 3.15Å; K83-Y85 PolarHBondContact O-N 3.22Å; Y85-P89 HydrophobicContact CD1-CG 4.41Å; Y85-L93 HydrophobicContact CD1-CD1 4.27Å; Y85-L93 HydrophobicContact CD1-CD2 4.49Å; Y85-L93 HydrophobicContact CD2-CD1 4.45Å; Y85-L93 HydrophobicContact CD2-CD2 3.94Å; Y85-L93 HydrophobicContact CE1-CD1 3.86Å; Y85-L93 HydrophobicContact CE2-CD1 4.07Å; Y85-L93 HydrophobicContact CE2-CD2 4.27Å; Y85-L93 HydrophobicContact CG-CD2 4.07Å; Y85-D113 HydrophobicContact CE2-CB 4.29Å; Y85-D113 VanDerWaalsContact CE2-OD2 3.28Å; Y85-D113 WeakPolarHBondContact CE2-OD2 3Å; Y85-D113 PolarHBondContact OH-OD2 2.93Å
86N90.6Very high92.4Very high165 Ų16555.3 Ų55.388%0.88227%0.273SS*.SBendtrans-77.3-32.1174.7-69.6-32.5000112.3
87K91.5Very high92.4Very high169 Ų16953 Ų5374%0.73526%0.259SS*.SBendtrans-146.5150.9-179.9-172.8177.3177-178.40109.7
88V91.6Very high92.3Very high10 Ų1052.4 Ų52.46%0.06126%0.255CS..  trans-62.4128.1173.6-173.80000108.9I39 D43 I45 L93I39-V88 HydrophobicContact CG2-CG1 4.13Å; I39-V88 HydrophobicContact CG2-CG2 3.7Å; D43-V88 WeakPolarHBondContact O-CG2 3.35Å; I45-V88 HydrophobicContact CD1-CG2 4.37Å; I45-V88 HydrophobicContact CG1-CG2 3.63Å; V88-L93 HydrophobicContact CG1-CB 4.33Å
89P92.6Very high92Very high18 Ų1853.8 Ų53.812%0.11726%0.264CS..  trans-57.5161.9174.9-22.833.4000113.1Y85 N91 G92 L93 E115Y85-P89 HydrophobicContact CD1-CG 4.41Å; P89-N91 PolarHBondContact O-N 3.36Å; P89-G92 PolarHBondContact O-N 3.35Å; P89-L93 HydrophobicContact CG-CD1 4.46Å; P89-E115 HydrophobicContact CB-CB 4.17Å; P89-E115 HydrophobicContact CB-CG 3.84Å; P89-E115 WeakPolarHBondContact CB-OE1 3.49Å; P89-E115 WeakPolarHBondContact CB-OE2 3.31Å; P89-E115 HydrophobicContact CG-CB 4.37Å
90P89.3Confident91.8Very high103 Ų10352.7 Ų52.767%0.66926%0.259SS*.THydrogen-bonded Turntrans-61.6-27.7-173.523.9-33.3000114.3P41 E115P41-P90 WeakPolarHBondContact CB-O 3.47Å; P90-E115 WeakPolarHBondContact CD-OE1 3.28Å; P90-E115 VanDerWaalsContact CG-OE1 3.25Å; P90-E115 WeakPolarHBondContact CG-OE1 3.42Å
91N89.1Confident91.4Very high46 Ų4650 Ų5025%0.24625%0.251CS..THydrogen-bonded Turntrans-95.42.3176.8-63.1-28.3000114P89 E115 P116 P119 I120P89-N91 PolarHBondContact O-N 3.36Å; N91-E115 HydrophobicContact CB-CG 3.88Å; N91-E115 WeakPolarHBondContact CB-OE1 3.37Å; N91-E115 PolarHBondContact N-OE1 3.21Å; N91-P116 HydrophobicContact CB-CG 4.25Å; N91-P116 WeakPolarHBondContact CB-O 3.5Å; N91-P116 PolarHBondContact ND2-O 3.3Å; N91-P116 WeakPolarHBondContact O-CG 3.41Å; N91-P119 VanDerWaalsContact O-CA 3.3Å; N91-P119 WeakPolarHBondContact O-CA 3.31Å; N91-I120 PolarHBondContact O-N 2.97Å
92G92.1Very high90.9Very high0 Ų047.8 Ų47.80%025%0.247CC..  trans97.2-176.6-173.600000112.5I39 P89I39-G92 CarbonylContact O-C 3.53Å; I39-G92 VanDerWaalsContact O-CA 3.24Å; I39-G92 WeakPolarHBondContact O-CA 3.35Å; P89-G92 PolarHBondContact O-N 3.35Å
93L93.5Very high90.2Very high0 Ų056.2 Ų56.20%029%0.292CS..EExtended strand (participates in β ladder)trans-135.5130.8-179.9-174.565.9000109.8I39 L82 Y85 V88 P89 V95I39-L93 HydrophobicContact CB-CB 4.31Å; I39-L93 HydrophobicContact CD1-CB 4.49Å; I39-L93 HydrophobicContact CD1-CD2 4.23Å; I39-L93 PolarHBondContact N-O 3.04Å; I39-L93 PolarHBondContact O-N 3.4Å; L82-L93 HydrophobicContact CD1-CD2 4.03Å; Y85-L93 HydrophobicContact CD1-CD1 4.27Å; Y85-L93 HydrophobicContact CD1-CD2 4.49Å; Y85-L93 HydrophobicContact CD2-CD1 4.45Å; Y85-L93 HydrophobicContact CD2-CD2 3.94Å; Y85-L93 HydrophobicContact CE1-CD1 3.86Å; Y85-L93 HydrophobicContact CE2-CD1 4.07Å; Y85-L93 HydrophobicContact CE2-CD2 4.27Å; Y85-L93 HydrophobicContact CG-CD2 4.07Å; V88-L93 HydrophobicContact CG1-CB 4.33Å; P89-L93 HydrophobicContact CG-CD1 4.46Å; L93-V95 HydrophobicContact CD2-CG2 4.12Å; L93-V95 HydrophobicContact CG-CG2 4Å
94V93.8Very high89.5Confident0 Ų055.2 Ų55.20%029%0.29CS..EExtended strand (participates in β ladder)trans-114.1129.2174.9179.30000108.4I38 Y96 D113 F114 P116 I120 L136I38-V94 HydrophobicContact CG1-CG1 4.37Å; I38-V94 HydrophobicContact CG1-CG2 4.45Å; I38-V94 HydrophobicContact CG2-CG2 4.32Å; V94-Y96 HydrophobicContact CG1-CD2 3.89Å; V94-Y96 HydrophobicContact CG1-CE2 3.41Å; V94-Y96 VanDerWaalsContact CG1-CE2 3.41Å; V94-D113 WeakPolarHBondContact O-CA 3.45Å; V94-F114 HydrophobicContact CB-CD1 4.37Å; V94-F114 HydrophobicContact CB-CE1 3.94Å; V94-F114 HydrophobicContact CB-CZ 4.13Å; V94-F114 HydrophobicContact CG1-CE1 3.81Å; V94-F114 HydrophobicContact CG1-CZ 4.12Å; V94-F114 PolarHBondContact N-O 3.49Å; V94-F114 VanDerWaalsContact N-O 3.08Å; V94-F114 PolarHBondContact O-N 3.39Å; V94-F114 VanDerWaalsContact O-N 3.11Å; V94-P116 HydrophobicContact CG2-CG 4.37Å; V94-I120 HydrophobicContact CG2-CD1 3.62Å; V94-L136 HydrophobicContact CG1-CD2 4.46Å; V94-L136 HydrophobicContact CG2-CD2 4.16Å
95V94.2Very high88.8Confident1 Ų152.8 Ų52.81%0.00629%0.291CS..EExtended strand (participates in β ladder)trans-131.5122179.3-173.60000109.5L37 V78 L93 I112 D113L37-V95 HydrophobicContact CB-CB 4.27Å; L37-V95 HydrophobicContact CD2-CB 4.48Å; L37-V95 PolarHBondContact N-O 2.95Å; L37-V95 PolarHBondContact O-N 3.25Å; V78-V95 HydrophobicContact CG1-CG1 4.3Å; L93-V95 HydrophobicContact CD2-CG2 4.12Å; L93-V95 HydrophobicContact CG-CG2 4Å; V95-I112 CarbonylContact C-O 3.49Å; V95-I112 WeakPolarHBondContact CA-O 3.13Å; V95-D113 HydrophobicContact CG2-CB 4.19Å
96Y94.5Very high88.4Confident0 Ų056.3 Ų56.30%031%0.307CS..EExtended strand (participates in β ladder)trans-113.6121.8169.5-69.4-73.2000109.3L24 S36 V94 N111 I112 F131 H132 L136L24-Y96 HydrophobicContact CD1-CD1 4.43Å; L24-Y96 HydrophobicContact CD1-CD2 3.51Å; L24-Y96 HydrophobicContact CD1-CE1 4.41Å; L24-Y96 HydrophobicContact CD1-CE2 3.49Å; L24-Y96 VanDerWaalsContact CD1-CE2 3.49Å; L24-Y96 HydrophobicContact CD1-CG 4Å; L24-Y96 HydrophobicContact CD2-CD2 4.27Å; L24-Y96 HydrophobicContact CD2-CG 4.04Å; S36-Y96 WeakPolarHBondContact OG-CE1 3.4Å; V94-Y96 HydrophobicContact CG1-CD2 3.89Å; V94-Y96 HydrophobicContact CG1-CE2 3.41Å; V94-Y96 VanDerWaalsContact CG1-CE2 3.41Å; Y96-N111 WeakPolarHBondContact O-CA 3.49Å; Y96-I112 PolarHBondContact N-O 2.81Å; Y96-I112 PolarHBondContact O-N 3.22Å; Y96-F131 HydrophobicContact CD1-CB 4.01Å; Y96-F131 AromaticContact CD1-CD1 3.48Å; Y96-F131 HydrophobicContact CD1-CD1 3.48Å; Y96-F131 VanDerWaalsContact CD1-CD1 3.48Å; Y96-F131 HydrophobicContact CD1-CE1 4.06Å; Y96-F131 AromaticContact CD1-CG 3.85Å; Y96-F131 HydrophobicContact CD1-CG 3.85Å; Y96-F131 HydrophobicContact CE1-CB 4.06Å; Y96-F131 HydrophobicContact CE1-CD1 4.29Å; Y96-F131 HydrophobicContact CE1-CG 4.42Å; Y96-F131 HydrophobicContact CG-CD1 4.25Å; Y96-F131 HydrophobicContact CG-CE1 4.47Å; Y96-H132 WeakPolarHBondContact CE1-O 3.18Å; Y96-H132 PolarHBondContact OH-O 3.14Å; Y96-L136 HydrophobicContact CE2-CD1 3.72Å
97C92.8Very high88Confident0 Ų056 Ų560%030%0.301CS..EExtended strand (participates in β ladder)trans-132.9133.8177.1-79.60000110.2I35 V78 V110 N111I35-C97 PolarHBondContact N-O 3.25Å; I35-C97 PolarHBondContact O-N 2.91Å; V78-C97 HydrophobicContact CG2-CB 3.35Å; V78-C97 VanDerWaalsContact CG2-SG 3.58Å; C97-V110 CarbonylContact C-O 3.6Å; C97-V110 VanDerWaalsContact CA-O 3.28Å; C97-V110 WeakPolarHBondContact CA-O 3.46Å; C97-N111 PolarHBondContact SG-OD1 3.39Å
98G90.4Very high87.7Confident3 Ų354 Ų543%0.03129%0.292CS..EExtended strand (participates in β ladder)trans-178.8170.9173.500000113.1S33 V110S33-G98 VanDerWaalsContact O-CA 3.25Å; S33-G98 WeakPolarHBondContact O-CA 3.3Å; G98-V110 PolarHBondContact N-O 2.78Å; G98-V110 PolarHBondContact O-N 3.39Å
99T88.2Confident87.5Confident29 Ų2960.4 Ų60.418%0.17832%0.319CS..EExtended strand (participates in β ladder)trans-105.4118.6173.1-52.30000108.4E107T99-E107 HydrophobicContact CG2-CB 3.82Å; T99-E107 HydrophobicContact CG2-CG 4.21Å
100I88.6Confident87.2Confident25 Ų2560.6 Ų60.613%0.12832%0.32CS..EExtended strand (participates in β ladder)trans-107.5153.4177.867.9167000109.1A27 M34 K108 V110A27-I100 HydrophobicContact CB-CD1 4.33Å; A27-I100 HydrophobicContact CB-CG2 3.84Å; M34-I100 HydrophobicContact CE-CG2 3.43Å; M34-I100 VanDerWaalsContact CE-CG2 3.43Å; M34-I100 HydrophobicContact SD-CG2 4Å; I100-K108 HydrophobicContact CG1-CB 4.15Å; I100-K108 WeakPolarHBondContact CG1-O 3.19Å; I100-K108 PolarHBondContact N-O 2.84Å; I100-K108 PolarHBondContact O-N 2.88Å; I100-V110 HydrophobicContact CD1-CG2 3.52Å; I100-V110 HydrophobicContact CG1-CG2 3.67Å; I100-V110 HydrophobicContact CG2-CG2 4.12Å
101V84.2Confident87.3Confident55 Ų5558.8 Ų58.833%0.33331%0.305SS..EExtended strand (participates in β ladder)trans-93.2124.8171.1-174.60000107.5
102T81.3Confident87.4Confident43 Ų4358.7 Ų58.726%0.26430%0.304SS..  trans-79.1165.9173600000110.6E104 G105 K106 K108T102-E104 PolarHBondContact O-N 2.89Å; T102-E104 VanDerWaalsContact O-N 3.08Å; T102-G105 WeakPolarHBondContact O-CA 3.42Å; T102-G105 PolarHBondContact O-N 3.45Å; T102-K106 PolarHBondContact N-O 3.28Å; T102-K106 PolarHBondContact OG1-O 3.41Å; T102-K108 HydrophobicContact CG2-CB 3.68Å; T102-K108 HydrophobicContact CG2-CD 4.02Å
103D77.6Confident87.4Confident182 Ų18260.7 Ų60.797%0.97331%0.314SS*.THydrogen-bonded Turntrans-59.2-22.7179.2-62.7-34.1000113.2G105D103-G105 PolarHBondContact O-N 3.19Å
104E78.4Confident87.3Confident143 Ų14362.6 Ų62.667%0.66832%0.323SS*.THydrogen-bonded Turntrans-77.71.6172.7-60.1-172174.900114.1T102 K106T102-E104 PolarHBondContact O-N 2.89Å; T102-E104 VanDerWaalsContact O-N 3.08Å; E104-K106 HydrophobicContact CB-CG 4.49Å; E104-K106 PolarHBondContact O-N 3.31Å; E104-K106 IonicContact OE2-NZ 2.66Å; E104-K106 PolarHBondContact OE2-NZ 2.9Å
105G78.1Confident87.1Confident57 Ų5766.5 Ų66.559%0.58834%0.341SS*.SBendtrans72.68.5-176.300000114.5T102 D103T102-G105 WeakPolarHBondContact O-CA 3.42Å; T102-G105 PolarHBondContact O-N 3.45Å; D103-G105 PolarHBondContact O-N 3.19Å
106K84.4Confident86.8Confident133 Ų13366.5 Ų66.558%0.57834%0.341SS*.  trans-85.6144.9175.8-67.2175.5-1731500110.6T102 E104T102-K106 PolarHBondContact N-O 3.28Å; T102-K106 PolarHBondContact OG1-O 3.41Å; E104-K106 HydrophobicContact CB-CG 4.49Å; E104-K106 PolarHBondContact O-N 3.31Å; E104-K106 IonicContact OE2-NZ 2.66Å; E104-K106 PolarHBondContact OE2-NZ 2.9Å
107E82.7Confident86.2Confident160 Ų16068.6 Ų68.675%0.74835%0.35SS*.EExtended strand (participates in β ladder)trans-79.1120.5173.1-68.5-17518000110.3T99T99-E107 HydrophobicContact CG2-CB 3.82Å; T99-E107 HydrophobicContact CG2-CG 4.21Å
108K84.9Confident85.7Confident127 Ų12770.8 Ų70.855%0.55236%0.36SS*.EExtended strand (participates in β ladder)trans-112.8127.3173.6-174.2175.4-178.3177.50109.6I100 T102I100-K108 HydrophobicContact CG1-CB 4.15Å; I100-K108 WeakPolarHBondContact CG1-O 3.19Å; I100-K108 PolarHBondContact N-O 2.84Å; I100-K108 PolarHBondContact O-N 2.88Å; T102-K108 HydrophobicContact CG2-CB 3.68Å; T102-K108 HydrophobicContact CG2-CD 4.02Å
109K86.2Confident85.4Confident143 Ų14374 Ų7462%0.62238%0.38SS*.EExtended strand (participates in β ladder)trans-81.6121.3171.7-65.9-178.3-178.7178.20109.1
110V87.9Confident85.2Confident22 Ų2272.8 Ų72.813%0.13337%0.373CS..EExtended strand (participates in β ladder)trans-100.8120174.8176.70000107.5C97 G98 I100 I112 F131C97-V110 CarbonylContact C-O 3.6Å; C97-V110 VanDerWaalsContact CA-O 3.28Å; C97-V110 WeakPolarHBondContact CA-O 3.46Å; G98-V110 PolarHBondContact N-O 2.78Å; G98-V110 PolarHBondContact O-N 3.39Å; I100-V110 HydrophobicContact CD1-CG2 3.52Å; I100-V110 HydrophobicContact CG1-CG2 3.67Å; I100-V110 HydrophobicContact CG2-CG2 4.12Å; V110-I112 HydrophobicContact CG1-CD1 3.66Å; V110-I112 HydrophobicContact CG1-CG1 3.75Å; V110-F131 HydrophobicContact CG1-CE2 4.42Å; V110-F131 HydrophobicContact CG1-CZ 4.48Å
111N90.1Very high85Confident65 Ų6578.6 Ų78.635%0.34840%0.404SS..EExtended strand (participates in β ladder)trans-130.4109.1175.1-68.6-25.3000107.3Y96 C97Y96-N111 WeakPolarHBondContact O-CA 3.49Å; C97-N111 PolarHBondContact SG-OD1 3.39Å
112I91.8Very high85Confident45 Ų4579.5 Ų79.523%0.23141%0.41CS..EExtended strand (participates in β ladder)trans-127121.2-177.8-55.7176.4000107.2L20 L24 V95 Y96 V110 F114L20-I112 HydrophobicContact CD1-CD1 3.58Å; L20-I112 HydrophobicContact CD1-CG2 4.21Å; L20-I112 HydrophobicContact CD2-CG2 4.35Å; L24-I112 HydrophobicContact CD2-CD1 4.1Å; V95-I112 CarbonylContact C-O 3.49Å; V95-I112 WeakPolarHBondContact CA-O 3.13Å; Y96-I112 PolarHBondContact N-O 2.81Å; Y96-I112 PolarHBondContact O-N 3.22Å; V110-I112 HydrophobicContact CG1-CD1 3.66Å; V110-I112 HydrophobicContact CG1-CG1 3.75Å; I112-F114 HydrophobicContact CG2-CD1 4.04Å; I112-F114 HydrophobicContact CG2-CE1 4.47Å
113D92.3Very high85.5Confident41 Ų4180.7 Ų80.722%0.21942%0.42CS..EExtended strand (participates in β ladder)trans-131.1128.7174.457.4-81000109.3R81 Y85 V94 V95R81-D113 VanDerWaalsContact CD-OD1 3.27Å; R81-D113 WeakPolarHBondContact CD-OD1 3.39Å; Y85-D113 HydrophobicContact CE2-CB 4.29Å; Y85-D113 VanDerWaalsContact CE2-OD2 3.28Å; Y85-D113 WeakPolarHBondContact CE2-OD2 3Å; Y85-D113 PolarHBondContact OH-OD2 2.93Å; V94-D113 WeakPolarHBondContact O-CA 3.45Å; V95-D113 HydrophobicContact CG2-CB 4.19Å
114F91.5Very high86.2Confident40 Ų4073.8 Ų73.818%0.17538%0.382CS..EExtended strand (participates in β ladder)trans-156.3158.2179.171.1-77.4000112I17 L20 V94 I112 L136I17-F114 HydrophobicContact CD1-CE2 4.26Å; I17-F114 HydrophobicContact CG1-CE2 4.25Å; L20-F114 HydrophobicContact CD2-CD1 4.11Å; L20-F114 HydrophobicContact CD2-CE1 3.4Å; L20-F114 VanDerWaalsContact CD2-CE1 3.4Å; L20-F114 HydrophobicContact CD2-CZ 3.68Å; V94-F114 HydrophobicContact CB-CD1 4.37Å; V94-F114 HydrophobicContact CB-CE1 3.94Å; V94-F114 HydrophobicContact CB-CZ 4.13Å; V94-F114 HydrophobicContact CG1-CE1 3.81Å; V94-F114 HydrophobicContact CG1-CZ 4.12Å; V94-F114 PolarHBondContact N-O 3.49Å; V94-F114 VanDerWaalsContact N-O 3.08Å; V94-F114 PolarHBondContact O-N 3.39Å; V94-F114 VanDerWaalsContact O-N 3.11Å; I112-F114 HydrophobicContact CG2-CD1 4.04Å; I112-F114 HydrophobicContact CG2-CE1 4.47Å; F114-L136 HydrophobicContact CZ-CD1 4.05Å; F114-L136 HydrophobicContact CZ-CD2 4.01Å
115E90.1Very high86.9Confident82 Ų8269.1 Ų69.138%0.38336%0.359SS..  trans-87.9126168.8176.2172.8-163.200109.6P89 P90 N91P89-E115 HydrophobicContact CB-CB 4.17Å; P89-E115 HydrophobicContact CB-CG 3.84Å; P89-E115 WeakPolarHBondContact CB-OE1 3.49Å; P89-E115 WeakPolarHBondContact CB-OE2 3.31Å; P89-E115 HydrophobicContact CG-CB 4.37Å; P90-E115 WeakPolarHBondContact CD-OE1 3.28Å; P90-E115 VanDerWaalsContact CG-OE1 3.25Å; P90-E115 WeakPolarHBondContact CG-OE1 3.42Å; N91-E115 HydrophobicContact CB-CG 3.88Å; N91-E115 WeakPolarHBondContact CB-OE1 3.37Å; N91-E115 PolarHBondContact N-OE1 3.21Å
116P86.4Confident87.6Confident1 Ų170 Ų701%0.00635%0.35CS..  trans-70155176.130.7-35.8000111.8N91 V94 K118 I120 L139N91-P116 HydrophobicContact CB-CG 4.25Å; N91-P116 WeakPolarHBondContact CB-O 3.5Å; N91-P116 PolarHBondContact ND2-O 3.3Å; N91-P116 WeakPolarHBondContact O-CG 3.41Å; V94-P116 HydrophobicContact CG2-CG 4.37Å; P116-K118 WeakPolarHBondContact CG-O 3.25Å; P116-K118 PolarHBondContact O-N 3.31Å; P116-K118 VanDerWaalsContact O-N 3.13Å; P116-I120 HydrophobicContact CB-CD1 4.06Å; P116-I120 HydrophobicContact CB-CG1 4.42Å; P116-I120 HydrophobicContact CG-CD1 3.71Å; P116-I120 HydrophobicContact CG-CG1 3.96Å; P116-L139 HydrophobicContact CB-CD1 3.82Å
117F82.3Confident87.9Confident44 Ų4465.9 Ų65.919%0.19334%0.337CS..SBendtrans-67.7-10.1177.369.9-76.5000114.5R10 I14 I17 L139R10-F117 HydrophobicContact CG-CD2 4.43Å; I14-F117 HydrophobicContact CD1-CE2 4.37Å; I14-F117 HydrophobicContact CG1-CE1 4.4Å; I14-F117 HydrophobicContact CG1-CE2 4.02Å; I14-F117 HydrophobicContact CG1-CZ 3.92Å; I17-F117 HydrophobicContact CD1-CD1 3.29Å; I17-F117 HydrophobicContact CD1-CE1 3.52Å; F117-L139 HydrophobicContact CE1-CB 4.14Å; F117-L139 HydrophobicContact CZ-CB 4.21Å
118K82.3Confident88.3Confident46 Ų4660.8 Ų60.820%0.232%0.315CS..SBendtrans-138.1146.3-179.6-85.2178.9178.3-1760110.8P116 I120 L139 D142P116-K118 WeakPolarHBondContact CG-O 3.25Å; P116-K118 PolarHBondContact O-N 3.31Å; P116-K118 VanDerWaalsContact O-N 3.13Å; K118-I120 PolarHBondContact O-N 2.9Å; K118-L139 HydrophobicContact CB-CD2 3.9Å; K118-L139 HydrophobicContact CD-CD2 4.41Å; K118-D142 WeakPolarHBondContact CE-OD1 3.32Å; K118-D142 VanDerWaalsContact CE-OD2 3.27Å; K118-D142 WeakPolarHBondContact CE-OD2 3.44Å; K118-D142 IonicContact NZ-OD1 2.8Å; K118-D142 PolarHBondContact NZ-OD1 2.89Å; K118-D142 IonicContact NZ-OD2 3.56Å; K118-D142 PolarHBondContact NZ-OD2 3.46Å
119P83.9Confident88.4Confident71 Ų7158.5 Ų58.546%0.46131%0.309SS..  trans-63.3125176.426.1-33.3000111.7P41 N91P41-P119 HydrophobicContact CG-CB 4Å; N91-P119 VanDerWaalsContact O-CA 3.3Å; N91-P119 WeakPolarHBondContact O-CA 3.31Å
120I84.3Confident88.6Confident4 Ų456.3 Ų56.32%0.02130%0.3CS..  trans-94.2122.1175.6-60.7174.5000109.8I38 P40 P41 N91 V94 P116 K118 T122 L136 L139I38-I120 HydrophobicContact CG2-CB 4.42Å; I38-I120 HydrophobicContact CG2-CD1 3.99Å; I38-I120 HydrophobicContact CG2-CG2 3.8Å; P40-I120 VanDerWaalsContact CA-O 3.25Å; P40-I120 WeakPolarHBondContact CA-O 3.14Å; P40-I120 VanDerWaalsContact CB-O 3.23Å; P40-I120 WeakPolarHBondContact CB-O 3.39Å; P41-I120 WeakPolarHBondContact CD-O 3.15Å; N91-I120 PolarHBondContact O-N 2.97Å; V94-I120 HydrophobicContact CG2-CD1 3.62Å; P116-I120 HydrophobicContact CB-CD1 4.06Å; P116-I120 HydrophobicContact CB-CG1 4.42Å; P116-I120 HydrophobicContact CG-CD1 3.71Å; P116-I120 HydrophobicContact CG-CG1 3.96Å; K118-I120 PolarHBondContact O-N 2.9Å; I120-T122 WeakPolarHBondContact CG2-OG1 3.15Å; I120-L136 HydrophobicContact CD1-CD2 4.48Å; I120-L139 HydrophobicContact CD1-CD1 3.72Å; I120-L139 HydrophobicContact CG1-CD1 3.61Å; I120-L139 HydrophobicContact CG1-CD2 4.06Å; I120-L139 HydrophobicContact CG1-CG 4.13Å
121N83.9Confident88.9Confident147 Ų14755.7 Ų55.779%0.78630%0.295SS*.  trans-87.3-6.2175.8-73.8-20.4000114
122T85Confident88.9Confident74 Ų7453.7 Ų53.745%0.45428%0.284SS..  trans-88.6132.1-179.653.40000110.9I38 I120I38-T122 WeakPolarHBondContact CG2-O 3.4Å; I120-T122 WeakPolarHBondContact CG2-OG1 3.15Å
123S90.9Very high88.8Confident68 Ų6852 Ų5248%0.47628%0.275SS..  trans-99.2125166.5-1770000107.7I38I38-S123 WeakPolarHBondContact O-CA 3.48Å
124L92.8Very high88.7Confident36 Ų3654.9 Ų54.919%0.18829%0.287CS..EExtended strand (participates in β ladder)trans-136.5131.1-178.8-174.1152.2000109.6S36 L37 I38 L126S36-L124 WeakPolarHBondContact O-CD2 3.2Å; L37-L124 CarbonylContact C-O 3.54Å; L37-L124 WeakPolarHBondContact CA-O 3.24Å; I38-L124 HydrophobicContact CB-CB 4.1Å; I38-L124 HydrophobicContact CD1-CB 4.33Å; I38-L124 HydrophobicContact CG1-CB 4.33Å; I38-L124 PolarHBondContact N-O 3.07Å; I38-L124 PolarHBondContact O-N 3.25Å; L124-L126 HydrophobicContact CD1-CD1 4.16Å; L124-L126 HydrophobicContact CD2-CB 4.09Å; L124-L126 HydrophobicContact CD2-CD1 4.03Å; L124-L126 HydrophobicContact CD2-CG 3.93Å; L124-L126 HydrophobicContact CG-CD1 4.14Å; L124-L126 HydrophobicContact CG-CG 4.2Å
125Y94Very high88.4Confident46 Ų4653.6 Ų53.618%0.1828%0.284CS..EExtended strand (participates in β ladder)trans-136.6113.9166.6171.4-101.7000107.2I35 S36 L37 M51 L52 E55I35-Y125 HydrophobicContact CG2-CD2 4.18Å; I35-Y125 HydrophobicContact CG2-CE2 3.8Å; S36-Y125 WeakPolarHBondContact O-CA 3.25Å; L37-Y125 HydrophobicContact CD1-CD2 4.11Å; M51-Y125 HydrophobicContact SD-CD1 4.02Å; M51-Y125 HydrophobicContact SD-CD2 4.38Å; M51-Y125 HydrophobicContact SD-CG 3.86Å; L52-Y125 HydrophobicContact CD2-CD2 4.2Å; L52-Y125 HydrophobicContact CD2-CE2 3.56Å; E55-Y125 HydrophobicContact CB-CE1 4.5Å; E55-Y125 HydrophobicContact CG-CE1 3.65Å
126L92.2Very high88.2Confident75 Ų7549.7 Ų49.739%0.39327%0.266SS..EExtended strand (participates in β ladder)trans-138136.7178.4-69175.3000109.7I35 S36 L124 H132I35-L126 WeakPolarHBondContact CA-O 3.37Å; S36-L126 PolarHBondContact N-O 3.49Å; S36-L126 PolarHBondContact O-N 3.41Å; L124-L126 HydrophobicContact CD1-CD1 4.16Å; L124-L126 HydrophobicContact CD2-CB 4.09Å; L124-L126 HydrophobicContact CD2-CD1 4.03Å; L124-L126 HydrophobicContact CD2-CG 3.93Å; L124-L126 HydrophobicContact CG-CD1 4.14Å; L124-L126 HydrophobicContact CG-CG 4.2Å; L126-H132 HydrophobicContact CD1-CB 4.37Å
127C90.8Very high88.1Confident46 Ų4652.9 Ų52.931%0.31129%0.285SS..EExtended strand (participates in β ladder)trans-115.6109.4170.8-173.20000108T32 M34 I35T32-C127 PolarHBondContact O-SG 3.2Å; M34-C127 WeakPolarHBondContact O-CA 3.28Å; I35-C127 HydrophobicContact CG1-CB 4.43Å
128D90.1Very high88Confident54 Ų5453.8 Ų53.829%0.28930%0.301SS..EExtended strand (participates in β ladder)trans-138.8-170.7-179-159.31000110.4S33 M34 H132S33-D128 PolarHBondContact N-O 3.38Å; M34-D128 VanDerWaalsContact CB-O 3.22Å; M34-D128 WeakPolarHBondContact CB-O 3.37Å; M34-D128 PolarHBondContact N-O 2.76Å; M34-D128 PolarHBondContact O-N 2.85Å; D128-H132 IonicContact OD2-NE2 2.8Å
129N88.3Confident87.8Confident78 Ų7852.4 Ų52.442%0.41730%0.296SS..SBendtrans-85-6.9174.465.8-0.2000114.8G29 G31G29-N129 PolarHBondContact N-O 2.88Å; G29-N129 VanDerWaalsContact N-O 3.09Å; G31-N129 WeakPolarHBondContact O-CA 3.39Å; G31-N129 VanDerWaalsContact O-CB 3.31Å; G31-N129 WeakPolarHBondContact O-CB 3.01Å
130K90.1Very high87.4Confident98 Ų9850.7 Ų50.743%0.42628%0.282SS..BIsolated β-bridgetrans-135.1158179.262.4177-178.5169.30110.2
131F92.9Very high86.6Confident8 Ų854.1 Ų54.14%0.03531%0.307CS..  trans-78.2142.2170.3-69.3-54.5000111.4L24 A27 M34 Y96 V110L24-F131 HydrophobicContact CB-CB 4.23Å; L24-F131 HydrophobicContact CB-CD2 4.08Å; L24-F131 HydrophobicContact CD2-CD2 3.37Å; L24-F131 HydrophobicContact CD2-CE2 3.57Å; L24-F131 HydrophobicContact CD2-CG 4.02Å; L24-F131 HydrophobicContact CD2-CZ 4.4Å; L24-F131 HydrophobicContact CG-CD2 4.32Å; A27-F131 HydrophobicContact CB-CD2 4.42Å; A27-F131 HydrophobicContact CB-CE2 4.45Å; M34-F131 HydrophobicContact CB-CD1 3.99Å; M34-F131 HydrophobicContact CB-CE1 3.97Å; M34-F131 HydrophobicContact CE-CD1 4.02Å; M34-F131 HydrophobicContact CE-CD2 3.39Å; M34-F131 HydrophobicContact CE-CE1 3.7Å; M34-F131 HydrophobicContact CE-CE2 3.03Å; M34-F131 HydrophobicContact CE-CG 3.9Å; M34-F131 HydrophobicContact CE-CZ 3.2Å; M34-F131 HydrophobicContact SD-CE1 4.32Å; M34-F131 HydrophobicContact SD-CE2 4.43Å; M34-F131 HydrophobicContact SD-CZ 4.07Å; Y96-F131 HydrophobicContact CD1-CB 4.01Å; Y96-F131 AromaticContact CD1-CD1 3.48Å; Y96-F131 HydrophobicContact CD1-CD1 3.48Å; Y96-F131 VanDerWaalsContact CD1-CD1 3.48Å; Y96-F131 HydrophobicContact CD1-CE1 4.06Å; Y96-F131 AromaticContact CD1-CG 3.85Å; Y96-F131 HydrophobicContact CD1-CG 3.85Å; Y96-F131 HydrophobicContact CE1-CB 4.06Å; Y96-F131 HydrophobicContact CE1-CD1 4.29Å; Y96-F131 HydrophobicContact CE1-CG 4.42Å; Y96-F131 HydrophobicContact CG-CD1 4.25Å; Y96-F131 HydrophobicContact CG-CE1 4.47Å; V110-F131 HydrophobicContact CG1-CE2 4.42Å; V110-F131 HydrophobicContact CG1-CZ 4.48Å
132H91.3Very high85.5Confident24 Ų2448.2 Ų48.211%0.11128%0.275CS..  trans-96.4105.8176.2-78-75.3000109.6S36 Y96 L126 D128 E134S36-H132 PolarHBondContact OG-N 2.93Å; Y96-H132 WeakPolarHBondContact CE1-O 3.18Å; Y96-H132 PolarHBondContact OH-O 3.14Å; L126-H132 HydrophobicContact CD1-CB 4.37Å; D128-H132 IonicContact OD2-NE2 2.8Å; H132-E134 VanDerWaalsContact C-OE2 3.27Å; H132-E134 VanDerWaalsContact CA-OE2 3.29Å; H132-E134 WeakPolarHBondContact CA-OE2 3.46Å; H132-E134 WeakPolarHBondContact CB-OE2 3.36Å; H132-E134 IonicContact CE1-OE1 3.66Å; H132-E134 IonicContact CG-OE2 3.18Å; H132-E134 IonicContact ND1-OE1 2.64Å; H132-E134 PolarHBondContact ND1-OE1 3.13Å; H132-E134 IonicContact ND1-OE2 3.15Å; H132-E134 PolarHBondContact ND1-OE2 3.07Å
133T90.4Very high84.5Confident8 Ų848.6 Ų48.65%0.04928%0.275CS..  trans-103.51.9-175.851.60000112.9I21 L24 E25 A135 L136 T137I21-T133 HydrophobicContact CG1-CG2 4.45Å; I21-T133 HydrophobicContact CG2-CG2 4.24Å; L24-T133 HydrophobicContact CB-CG2 3.89Å; L24-T133 HydrophobicContact CD1-CG2 4.07Å; E25-T133 HydrophobicContact CG-CG2 4.35Å; E25-T133 PolarHBondContact OE1-OG1 3.36Å; T133-A135 PolarHBondContact O-N 3.09Å; T133-A135 VanDerWaalsContact O-N 3.16Å; T133-L136 WeakPolarHBondContact O-CB 3.49Å; T133-L136 PolarHBondContact O-N 3.47Å; T133-T137 PolarHBondContact O-N 3.48Å; T133-T137 PolarHBondContact O-OG1 2.87Å
134E88.3Confident83.9Confident102 Ų10247.5 Ų47.548%0.47727%0.267SS..Hα-helixtrans-58.7-37.9-170.7-57.984.3173.400112.1H132 T137 A138H132-E134 VanDerWaalsContact C-OE2 3.27Å; H132-E134 VanDerWaalsContact CA-OE2 3.29Å; H132-E134 WeakPolarHBondContact CA-OE2 3.46Å; H132-E134 WeakPolarHBondContact CB-OE2 3.36Å; H132-E134 IonicContact CE1-OE1 3.66Å; H132-E134 IonicContact CG-OE2 3.18Å; H132-E134 IonicContact ND1-OE1 2.64Å; H132-E134 PolarHBondContact ND1-OE1 3.13Å; H132-E134 IonicContact ND1-OE2 3.15Å; H132-E134 PolarHBondContact ND1-OE2 3.07Å; E134-T137 PolarHBondContact O-N 2.85Å; E134-A138 PolarHBondContact O-N 3.4Å
135A85.6Confident83.6Confident14 Ų1448.7 Ų48.712%0.11627%0.271CS..Hα-helixtrans-67.5-34.7176.700000113.1I38 T133 L139I38-A135 HydrophobicContact CD1-CB 3.35Å; T133-A135 PolarHBondContact O-N 3.09Å; T133-A135 VanDerWaalsContact O-N 3.16Å; A135-L139 PolarHBondContact O-N 3.35Å
136L85.5Confident83.4Confident0 Ų047.3 Ų47.30%027%0.266CS..Hα-helixtrans-74.2-38.3175.2-69.1-177.4000111.3I21 V94 Y96 F114 I120 T133 A138 L139 L140I21-L136 HydrophobicContact CD1-CB 3.69Å; I21-L136 HydrophobicContact CG1-CB 4.01Å; I21-L136 HydrophobicContact CG1-CD1 4.13Å; V94-L136 HydrophobicContact CG1-CD2 4.46Å; V94-L136 HydrophobicContact CG2-CD2 4.16Å; Y96-L136 HydrophobicContact CE2-CD1 3.72Å; F114-L136 HydrophobicContact CZ-CD1 4.05Å; F114-L136 HydrophobicContact CZ-CD2 4.01Å; I120-L136 HydrophobicContact CD1-CD2 4.48Å; T133-L136 WeakPolarHBondContact O-CB 3.49Å; T133-L136 PolarHBondContact O-N 3.47Å; L136-A138 VanDerWaalsContact C-N 3.26Å; L136-A138 PolarHBondContact O-N 3.23Å; L136-L139 HydrophobicContact CD2-CD1 4.24Å; L136-L139 WeakPolarHBondContact O-CB 3.4Å; L136-L139 PolarHBondContact O-N 3Å; L136-L140 PolarHBondContact O-N 2.64Å
137T84.9Confident83.5Confident67 Ų6743.7 Ų43.741%0.41125%0.247SC..Hα-helixtrans-62.3-36.5175.5-52.30000111.3T133 E134 L139 L140 S141T133-T137 PolarHBondContact O-N 3.48Å; T133-T137 PolarHBondContact O-OG1 2.87Å; E134-T137 PolarHBondContact O-N 2.85Å; T137-L139 VanDerWaalsContact C-N 3.27Å; T137-L139 PolarHBondContact O-N 2.92Å; T137-L140 WeakPolarHBondContact O-CB 3.26Å; T137-L140 PolarHBondContact O-N 3.11Å; T137-L140 VanDerWaalsContact O-N 3.14Å; T137-S141 PolarHBondContact O-N 2.83Å
138A81.4Confident83.7Confident63 Ų6341.5 Ų41.552%0.52123%0.232SC..Hα-helixtrans-66.7-24172.500000113.7E134 L136 S141E134-A138 PolarHBondContact O-N 3.4Å; L136-A138 VanDerWaalsContact C-N 3.26Å; L136-A138 PolarHBondContact O-N 3.23Å; A138-S141 PolarHBondContact O-OG 3.04Å
139L78.3Confident83.9Confident17 Ų1739 Ų399%0.08922%0.218CC..Hα-helixtrans-75.1-30.1171.6-68.7-177.8000112.3P116 F117 K118 I120 A135 L136 T137 S141P116-L139 HydrophobicContact CB-CD1 3.82Å; F117-L139 HydrophobicContact CE1-CB 4.14Å; F117-L139 HydrophobicContact CZ-CB 4.21Å; K118-L139 HydrophobicContact CB-CD2 3.9Å; K118-L139 HydrophobicContact CD-CD2 4.41Å; I120-L139 HydrophobicContact CD1-CD1 3.72Å; I120-L139 HydrophobicContact CG1-CD1 3.61Å; I120-L139 HydrophobicContact CG1-CD2 4.06Å; I120-L139 HydrophobicContact CG1-CG 4.13Å; A135-L139 PolarHBondContact O-N 3.35Å; L136-L139 HydrophobicContact CD2-CD1 4.24Å; L136-L139 WeakPolarHBondContact O-CB 3.4Å; L136-L139 PolarHBondContact O-N 3Å; T137-L139 VanDerWaalsContact C-N 3.27Å; T137-L139 PolarHBondContact O-N 2.92Å; L139-S141 VanDerWaalsContact C-N 3.3Å
140L74Confident84.2Confident35 Ų3535.2 Ų35.218%0.18320%0.198CC..Hα-helixtrans-73.7-17.7178.2-67.8176.2000113.5I14 I17 K18 I21 L136 T137 D142I14-L140 HydrophobicContact CB-CD2 4.49Å; I14-L140 HydrophobicContact CG2-CD2 3.72Å; I17-L140 HydrophobicContact CB-CD2 4.46Å; I17-L140 HydrophobicContact CG2-CD1 4.48Å; I17-L140 HydrophobicContact CG2-CD2 4.09Å; I17-L140 HydrophobicContact CG2-CG 4.31Å; K18-L140 HydrophobicContact CG-CD1 3.59Å; K18-L140 HydrophobicContact CG-CD2 3.81Å; K18-L140 HydrophobicContact CG-CG 4.37Å; I21-L140 HydrophobicContact CD1-CD1 3.43Å; I21-L140 VanDerWaalsContact CD1-CD1 3.43Å; I21-L140 HydrophobicContact CD1-CG 4.31Å; L136-L140 PolarHBondContact O-N 2.64Å; T137-L140 WeakPolarHBondContact O-CB 3.26Å; T137-L140 PolarHBondContact O-N 3.11Å; T137-L140 VanDerWaalsContact O-N 3.14Å; L140-D142 PolarHBondContact O-N 2.79Å
141S67.4Low84.3Confident77 Ų7730.8 Ų30.854%0.53818%0.179SC..  trans-73.456.8168.263.20000110.2T137 A138 L139 D143T137-S141 PolarHBondContact O-N 2.83Å; A138-S141 PolarHBondContact O-OG 3.04Å; L139-S141 VanDerWaalsContact C-N 3.3Å; S141-D143 PolarHBondContact O-N 3.35Å
142D61.9Low84.3Confident22 Ų2231.9 Ų31.912%0.11819%0.186CC..  trans-84.792.1179.9-156.8-1.5000108.6R10 K118 L140 S144R10-D142 IonicContact CZ-OD2 3.91Å; R10-D142 VanDerWaalsContact CZ-OD2 3.24Å; R10-D142 IonicContact NE-OD2 2.8Å; R10-D142 PolarHBondContact NE-OD2 3.2Å; R10-D142 VanDerWaalsContact NE-OD2 3.15Å; R10-D142 IonicContact NH2-OD1 2.75Å; R10-D142 PolarHBondContact NH2-OD1 3.16Å; R10-D142 IonicContact NH2-OD2 2.9Å; R10-D142 PolarHBondContact NH2-OD2 2.92Å; K118-D142 WeakPolarHBondContact CE-OD1 3.32Å; K118-D142 VanDerWaalsContact CE-OD2 3.27Å; K118-D142 WeakPolarHBondContact CE-OD2 3.44Å; K118-D142 IonicContact NZ-OD1 2.8Å; K118-D142 PolarHBondContact NZ-OD1 2.89Å; K118-D142 IonicContact NZ-OD2 3.56Å; K118-D142 PolarHBondContact NZ-OD2 3.46Å; L140-D142 PolarHBondContact O-N 2.79Å; D142-S144 PolarHBondContact O-N 3.27Å
143D64.6Low84.1Confident82 Ų8232 Ų3244%0.43919%0.194SC..  trans-78.4115.9170.1-63.6-50000109S141 Q162 G163S141-D143 PolarHBondContact O-N 3.35Å; D143-Q162 HydrophobicContact CB-CG 4.41Å; D143-Q162 WeakPolarHBondContact O-CG 3.5Å; D143-Q162 PolarHBondContact O-NE2 2.68Å; D143-G163 WeakPolarHBondContact OD2-CA 3.42Å
144S76.9Confident84Confident45 Ų4535.1 Ų35.132%0.31522%0.215SC..  trans-58.6142171.1-66.40000109.6D142 F146D142-S144 PolarHBondContact O-N 3.27Å; S144-F146 WeakPolarHBondContact O-CD2 3.5Å; S144-F146 WeakPolarHBondContact O-CE2 3.49Å; S144-F146 PolarHBondContact O-N 2.85Å
145K86.3Confident84.1Confident62 Ų6230.8 Ų30.827%0.2720%0.198SC..EExtended strand (participates in β ladder)trans-75.8119.4175.9-168.9173.1177.1162.70108.8T160 V221 A222K145-T160 HydrophobicContact CD-CG2 4.45Å; K145-T160 VanDerWaalsContact CE-CB 3.43Å; K145-T160 VanDerWaalsContact CE-OG1 3.3Å; K145-T160 WeakPolarHBondContact CE-OG1 3.49Å; K145-T160 HydrophobicContact CG-CG2 4.33Å; K145-V221 HydrophobicContact CG-CG1 4.2Å; K145-V221 CarbonylContact O-C 3.52Å; K145-V221 VanDerWaalsContact O-CA 3.31Å; K145-V221 WeakPolarHBondContact O-CA 3.19Å; K145-V221 WeakPolarHBondContact O-CB 3.29Å; K145-A222 PolarHBondContact O-N 3.47Å
146F91Very high84.5Confident16 Ų1630.2 Ų30.27%0.0719%0.194CC..EExtended strand (participates in β ladder)trans-107137.1177.7-64.4-72.5000111S144 F148 T160 L161 A222 G223 L251 L275 V278S144-F146 WeakPolarHBondContact O-CD2 3.5Å; S144-F146 WeakPolarHBondContact O-CE2 3.49Å; S144-F146 PolarHBondContact O-N 2.85Å; F146-F148 HydrophobicContact CB-CE2 4.24Å; F146-T160 CarbonylContact O-C 3.57Å; F146-T160 WeakPolarHBondContact O-CA 3.28Å; F146-L161 PolarHBondContact N-O 3.39Å; F146-L161 PolarHBondContact O-N 3.13Å; F146-A222 HydrophobicContact CE1-CB 4.37Å; F146-G223 WeakPolarHBondContact CA-O 3.23Å; F146-L251 HydrophobicContact CD1-CD1 3.95Å; F146-L251 HydrophobicContact CE1-CD1 3.94Å; F146-L275 HydrophobicContact CB-CD2 4.04Å; F146-L275 HydrophobicContact CD1-CD2 3.53Å; F146-L275 HydrophobicContact CD2-CB 4.4Å; F146-L275 HydrophobicContact CD2-CD1 4.34Å; F146-L275 HydrophobicContact CD2-CD2 3.85Å; F146-L275 HydrophobicContact CD2-CG 4.42Å; F146-L275 HydrophobicContact CE1-CD2 3.86Å; F146-L275 HydrophobicContact CE2-CB 4.17Å; F146-L275 HydrophobicContact CE2-CD2 4.15Å; F146-L275 HydrophobicContact CG-CD2 3.53Å; F146-L275 HydrophobicContact CZ-CB 4.46Å; F146-L275 HydrophobicContact CZ-CD2 4.15Å; F146-V278 HydrophobicContact CE1-CB 4.2Å; F146-V278 HydrophobicContact CE1-CG1 4.2Å; F146-V278 HydrophobicContact CE1-CG2 3.44Å; F146-V278 VanDerWaalsContact CE1-CG2 3.44Å; F146-V278 HydrophobicContact CZ-CB 4.11Å; F146-V278 HydrophobicContact CZ-CG1 4.42Å; F146-V278 HydrophobicContact CZ-CG2 3.58Å
147G93.2Very high85Confident0 Ų030.4 Ų30.40%019%0.194CC..EExtended strand (participates in β ladder)trans-90.2142.5176.200000111.5G223 M224 V225G147-G223 PolarHBondContact N-O 3.27Å; G147-M224 CarbonylContact O-C 3.54Å; G147-M224 VanDerWaalsContact O-CA 3.24Å; G147-M224 WeakPolarHBondContact O-CA 3.34Å; G147-V225 PolarHBondContact O-N 3.07Å
148F94.9Very high85.5Confident0 Ų027.2 Ų27.20%018%0.175CC..EExtended strand (participates in β ladder)trans-127.1131.2173.2-75.9-101.5000109.6F146 F158 G159 L161 V225 F264 A267 I268 L275F146-F148 HydrophobicContact CB-CE2 4.24Å; F148-F158 WeakPolarHBondContact O-CA 3.27Å; F148-G159 PolarHBondContact N-O 2.93Å; F148-G159 PolarHBondContact O-N 2.97Å; F148-L161 HydrophobicContact CD2-CB 4.11Å; F148-L161 HydrophobicContact CE2-CB 3.49Å; F148-L161 VanDerWaalsContact CE2-CB 3.49Å; F148-L161 HydrophobicContact CE2-CD2 4.1Å; F148-L161 HydrophobicContact CE2-CG 4.45Å; F148-L161 HydrophobicContact CZ-CB 4.39Å; F148-L161 HydrophobicContact CZ-CD2 4.24Å; F148-V225 WeakPolarHBondContact CA-O 3.2Å; F148-V225 HydrophobicContact CD1-CB 3.89Å; F148-V225 HydrophobicContact CD1-CG1 4.24Å; F148-V225 HydrophobicContact CE1-CB 3.91Å; F148-V225 HydrophobicContact CE1-CG1 4.16Å; F148-V225 HydrophobicContact CE1-CG2 4.17Å; F148-V225 HydrophobicContact CZ-CG2 4.39Å; F148-F264 HydrophobicContact CB-CD2 3.87Å; F148-F264 HydrophobicContact CB-CE2 3.44Å; F148-F264 VanDerWaalsContact CB-CE2 3.44Å; F148-F264 HydrophobicContact CD1-CD2 4.27Å; F148-F264 HydrophobicContact CD1-CE2 4.08Å; F148-F264 AromaticContact CD2-CE2 3.85Å; F148-F264 HydrophobicContact CD2-CE2 3.85Å; F148-F264 HydrophobicContact CG-CD2 4.09Å; F148-F264 AromaticContact CG-CE2 3.54Å; F148-F264 HydrophobicContact CG-CE2 3.54Å; F148-A267 HydrophobicContact CD1-CB 4.14Å; F148-A267 HydrophobicContact CE1-CB 4.18Å; F148-I268 HydrophobicContact CE1-CG1 3.93Å; F148-I268 HydrophobicContact CE2-CG1 4.24Å; F148-I268 HydrophobicContact CZ-CB 4.43Å; F148-I268 HydrophobicContact CZ-CG1 3.74Å; F148-L275 HydrophobicContact CE2-CD1 4.22Å; F148-L275 HydrophobicContact CZ-CD1 3.79Å
149I94.8Very high86.2Confident0 Ų024.2 Ų24.20%015%0.15CC..EExtended strand (participates in β ladder)trans-118.1113.6170-55.5-177.6000106.7I151 F158 V205 A209 F213 M224 V225 L226 A227 F242I149-I151 HydrophobicContact CG2-CD1 4.25Å; I149-I151 HydrophobicContact CG2-CG1 3.8Å; I149-F158 HydrophobicContact CD1-CD1 4.33Å; I149-F158 HydrophobicContact CD1-CE1 4.15Å; I149-F158 HydrophobicContact CG1-CD1 3.95Å; I149-F158 HydrophobicContact CG1-CE1 4.14Å; I149-F158 HydrophobicContact CG2-CD1 4.24Å; I149-F158 HydrophobicContact CG2-CE1 3.86Å; I149-F158 HydrophobicContact CG2-CZ 4.47Å; I149-V205 HydrophobicContact CG2-CG1 3.98Å; I149-A209 HydrophobicContact CD1-CB 3.68Å; I149-F213 HydrophobicContact CD1-CD2 4.46Å; I149-F213 HydrophobicContact CD1-CE2 4.07Å; I149-F213 HydrophobicContact CG1-CE2 3.79Å; I149-M224 HydrophobicContact CD1-SD 3.59Å; I149-M224 VanDerWaalsContact CD1-SD 3.59Å; I149-M224 HydrophobicContact CG1-SD 4.09Å; I149-V225 PolarHBondContact N-O 2.62Å; I149-L226 HydrophobicContact CB-CD2 3.72Å; I149-L226 HydrophobicContact CD1-CD2 3.77Å; I149-L226 HydrophobicContact CG1-CD2 4.03Å; I149-L226 HydrophobicContact CG2-CD2 4.41Å; I149-A227 PolarHBondContact O-N 2.96Å; I149-A227 VanDerWaalsContact O-O 3.08Å; I149-F242 HydrophobicContact CD1-CE2 4.27Å; I149-F242 HydrophobicContact CD1-CZ 4.28Å
150V94.9Very high86.9Confident0 Ų023.5 Ų23.50%015%0.147CC..EExtended strand (participates in β ladder)trans-103.4111.4176.7178.50000107.8A156 L157 A227 I256 F264V150-A156 CarbonylContact O-C 3.57Å; V150-A156 VanDerWaalsContact O-CA 3.27Å; V150-A156 WeakPolarHBondContact O-CA 3.44Å; V150-L157 HydrophobicContact CB-CB 4.25Å; V150-L157 HydrophobicContact CG2-CD2 4.49Å; V150-L157 PolarHBondContact N-O 2.86Å; V150-L157 PolarHBondContact O-N 3Å; V150-A227 CarbonylContact C-O 3.57Å; V150-A227 VanDerWaalsContact CA-O 3.29Å; V150-A227 WeakPolarHBondContact CA-O 2.98Å; V150-A227 HydrophobicContact CG2-CB 4.33Å; V150-I256 HydrophobicContact CG1-CD1 3.57Å; V150-F264 HydrophobicContact CG2-CB 4.03Å; V150-F264 HydrophobicContact CG2-CD2 4.17Å
151I92.9Very high87.7Confident5 Ų522.7 Ų22.73%0.02614%0.142CC..EExtended strand (participates in β ladder)trans-107.1122.9-179.2-48.5175.2000109I149 Y201 V205 A227 G228 S229 F232 L236I149-I151 HydrophobicContact CG2-CD1 4.25Å; I149-I151 HydrophobicContact CG2-CG1 3.8Å; I151-Y201 HydrophobicContact CG2-CE1 3.75Å; I151-V205 HydrophobicContact CD1-CG1 4.08Å; I151-V205 HydrophobicContact CG1-CG1 4.24Å; I151-A227 PolarHBondContact N-O 2.91Å; I151-G228 WeakPolarHBondContact O-CA 3.3Å; I151-S229 PolarHBondContact O-N 3.31Å; I151-F232 HydrophobicContact CG2-CB 3.93Å; I151-F232 HydrophobicContact CG2-CG 4.46Å; I151-L236 HydrophobicContact CD1-CB 4.11Å; I151-L236 HydrophobicContact CD1-CD2 3.5Å; I151-L236 VanDerWaalsContact CD1-CD2 3.5Å; I151-L236 HydrophobicContact CD1-CG 4.37Å
152D91.1Very high88.5Confident31 Ų3123.3 Ų23.317%0.16614%0.137CC..EExtended strand (participates in β ladder)trans-127.2163.2171.6-176.541.4000110.7S154 G155 Y201 S229D152-S154 PolarHBondContact O-N 2.8Å; D152-S154 PolarHBondContact OD2-N 3.08Å; D152-S154 PolarHBondContact OD2-OG 3.32Å; D152-G155 CarbonylContact C-O 3.57Å; D152-G155 WeakPolarHBondContact CA-O 3.45Å; D152-G155 WeakPolarHBondContact CB-O 3.48Å; D152-G155 PolarHBondContact N-O 2.96Å; D152-G155 PolarHBondContact O-N 3.17Å; D152-G155 VanDerWaalsContact O-O 3.09Å; D152-Y201 WeakPolarHBondContact O-CE1 3.46Å; D152-Y201 PolarHBondContact O-OH 3.27Å; D152-S229 PolarHBondContact OD1-OG 3.08Å
153G87.7Confident89.3Confident27 Ų2723.3 Ų23.328%0.27814%0.142SC..THydrogen-bonded Turntrans-65.8-16.5176.200000113.9
154S88.2Confident89.7Confident72 Ų7227.2 Ų27.250%0.50316%0.163SC..THydrogen-bonded Turntrans-97.8-14.717868.40000114.2D152 T173 V174D152-S154 PolarHBondContact O-N 2.8Å; D152-S154 PolarHBondContact OD2-N 3.08Å; D152-S154 PolarHBondContact OD2-OG 3.32Å; S154-T173 WeakPolarHBondContact O-CA 3.48Å; S154-V174 CarbonylContact C-O 3.5Å; S154-V174 PolarHBondContact O-N 3.08Å
155G91.6Very high89.8Confident11 Ų1129.6 Ų29.611%0.11318%0.175CC..EExtended strand (participates in β ladder)trans163.2173.9-176.100000113.6D152 F172 Y201D152-G155 CarbonylContact C-O 3.57Å; D152-G155 WeakPolarHBondContact CA-O 3.45Å; D152-G155 WeakPolarHBondContact CB-O 3.48Å; D152-G155 PolarHBondContact N-O 2.96Å; D152-G155 PolarHBondContact O-N 3.17Å; D152-G155 VanDerWaalsContact O-O 3.09Å; G155-F172 CarbonylContact C-O 3.54Å; G155-F172 VanDerWaalsContact CA-O 3.23Å; G155-F172 WeakPolarHBondContact CA-O 3.42Å; G155-Y201 PolarHBondContact O-OH 2.82Å
156A94.2Very high89.9Confident3 Ų334 Ų343%0.02519%0.191CC..EExtended strand (participates in β ladder)trans-122.8145.2179.400000110.9V150 F158 K171 F172 Y201 V205V150-A156 CarbonylContact O-C 3.57Å; V150-A156 VanDerWaalsContact O-CA 3.27Å; V150-A156 WeakPolarHBondContact O-CA 3.44Å; A156-F158 HydrophobicContact CB-CE2 4Å; A156-F158 HydrophobicContact CB-CZ 4.36Å; A156-K171 WeakPolarHBondContact O-CA 3.47Å; A156-F172 HydrophobicContact CB-CE1 4.29Å; A156-F172 HydrophobicContact CB-CE2 4.27Å; A156-F172 HydrophobicContact CB-CZ 3.99Å; A156-F172 PolarHBondContact N-O 3.38Å; A156-F172 PolarHBondContact O-N 3.5Å; A156-Y201 HydrophobicContact CB-CE2 4.24Å; A156-Y201 PolarHBondContact N-OH 3.09Å; A156-V205 HydrophobicContact CB-CG2 3.8Å
157L95.3Very high89.9Confident3 Ų338.5 Ų38.52%0.01621%0.211CC..EExtended strand (participates in β ladder)trans-125.5134.2174.2-179.5155.2000109.6V150 V168 K171 E261 F264V150-L157 HydrophobicContact CB-CB 4.25Å; V150-L157 HydrophobicContact CG2-CD2 4.49Å; V150-L157 PolarHBondContact N-O 2.86Å; V150-L157 PolarHBondContact O-N 3Å; L157-V168 HydrophobicContact CD1-CG1 3.97Å; L157-V168 HydrophobicContact CD1-CG2 4.5Å; L157-V168 HydrophobicContact CD2-CG1 4.25Å; L157-V168 HydrophobicContact CG-CG1 3.97Å; L157-K171 HydrophobicContact CB-CB 4.5Å; L157-K171 HydrophobicContact CG-CB 4.49Å; L157-E261 HydrophobicContact CD1-CB 4.39Å; L157-E261 HydrophobicContact CD1-CG 3.57Å; L157-F264 HydrophobicContact CD2-CB 4.12Å; L157-F264 HydrophobicContact CD2-CD1 4.22Å; L157-F264 HydrophobicContact CD2-CD2 4.29Å; L157-F264 HydrophobicContact CD2-CG 3.96Å
158F95.8Very high90Very high0 Ų041.3 Ų41.30%023%0.228CC..EExtended strand (participates in β ladder)trans-114.2125.1175.7-57.2-95.1000107.9F148 I149 A156 L169 H170 F172 V205 T208 A209 L212 F213F148-F158 WeakPolarHBondContact O-CA 3.27Å; I149-F158 HydrophobicContact CD1-CD1 4.33Å; I149-F158 HydrophobicContact CD1-CE1 4.15Å; I149-F158 HydrophobicContact CG1-CD1 3.95Å; I149-F158 HydrophobicContact CG1-CE1 4.14Å; I149-F158 HydrophobicContact CG2-CD1 4.24Å; I149-F158 HydrophobicContact CG2-CE1 3.86Å; I149-F158 HydrophobicContact CG2-CZ 4.47Å; A156-F158 HydrophobicContact CB-CE2 4Å; A156-F158 HydrophobicContact CB-CZ 4.36Å; F158-L169 PolarHBondContact O-N 3.16Å; F158-H170 HydrophobicContact CB-CB 4.48Å; F158-H170 HydrophobicContact CD2-CB 4.38Å; F158-H170 PolarHBondContact N-O 2.87Å; F158-H170 PolarHBondContact O-N 3.1Å; F158-F172 HydrophobicContact CE2-CD1 4.09Å; F158-F172 AromaticContact CE2-CE1 3.51Å; F158-F172 HydrophobicContact CE2-CE1 3.51Å; F158-F172 HydrophobicContact CE2-CZ 4.34Å; F158-F172 HydrophobicContact CZ-CE1 4.09Å; F158-V205 HydrophobicContact CE1-CG1 4.21Å; F158-V205 HydrophobicContact CZ-CB 4.4Å; F158-V205 HydrophobicContact CZ-CG1 3.88Å; F158-T208 HydrophobicContact CD2-CG2 4.15Å; F158-T208 HydrophobicContact CE2-CG2 3.78Å; F158-T208 HydrophobicContact CZ-CG2 3.96Å; F158-A209 HydrophobicContact CE1-CB 3.94Å; F158-L212 HydrophobicContact CB-CD1 3.57Å; F158-L212 HydrophobicContact CD1-CD1 4.12Å; F158-L212 HydrophobicContact CD2-CD1 4.1Å; F158-L212 HydrophobicContact CG-CD1 3.66Å; F158-F213 AromaticContact CD1-CE2 3.97Å; F158-F213 HydrophobicContact CD1-CE2 3.97Å
159G94.6Very high89.9Confident0 Ų044.1 Ų44.10%024%0.243CC..EExtended strand (participates in β ladder)trans-143.1166.3-178.500000111.5F148 E167F148-G159 PolarHBondContact N-O 2.93Å; F148-G159 PolarHBondContact O-N 2.97Å; G159-E167 CarbonylContact C-O 3.51Å; G159-E167 WeakPolarHBondContact CA-O 3.31Å
160T93.6Very high89.9Confident3 Ų348 Ų482%0.01826%0.261CS..EExtended strand (participates in β ladder)trans-127.4143.4172.451.90000110.4K145 F146 E167 L169 F213 V221K145-T160 HydrophobicContact CD-CG2 4.45Å; K145-T160 VanDerWaalsContact CE-CB 3.43Å; K145-T160 VanDerWaalsContact CE-OG1 3.3Å; K145-T160 WeakPolarHBondContact CE-OG1 3.49Å; K145-T160 HydrophobicContact CG-CG2 4.33Å; F146-T160 CarbonylContact O-C 3.57Å; F146-T160 WeakPolarHBondContact O-CA 3.28Å; T160-E167 PolarHBondContact N-O 3.09Å; T160-E167 PolarHBondContact O-N 2.9Å; T160-L169 HydrophobicContact CG2-CD1 3.72Å; T160-L169 HydrophobicContact CG2-CG 4.34Å; T160-F213 HydrophobicContact CG2-CE1 3.7Å; T160-V221 HydrophobicContact CG2-CG1 4.19Å
161L89.9Confident89.9Confident18 Ų1854 Ų549%0.09429%0.287CS..EExtended strand (participates in β ladder)trans-113.4124.6169.8-172.873.3000107.7F146 F148 G163 R166 I268 L275F146-L161 PolarHBondContact N-O 3.39Å; F146-L161 PolarHBondContact O-N 3.13Å; F148-L161 HydrophobicContact CD2-CB 4.11Å; F148-L161 HydrophobicContact CE2-CB 3.49Å; F148-L161 VanDerWaalsContact CE2-CB 3.49Å; F148-L161 HydrophobicContact CE2-CD2 4.1Å; F148-L161 HydrophobicContact CE2-CG 4.45Å; F148-L161 HydrophobicContact CZ-CB 4.39Å; F148-L161 HydrophobicContact CZ-CD2 4.24Å; L161-G163 WeakPolarHBondContact CG-O 3.34Å; L161-R166 HydrophobicContact CD1-CB 4.16Å; L161-I268 HydrophobicContact CD1-CD1 4.08Å; L161-I268 HydrophobicContact CD1-CG1 4.38Å; L161-I268 HydrophobicContact CD1-CG2 4.22Å; L161-I268 HydrophobicContact CD2-CG1 4.33Å; L161-I268 HydrophobicContact CD2-CG2 3.8Å; L161-L275 HydrophobicContact CD2-CD1 3.79Å
162Q84.9Confident89.9Confident90 Ų9054.9 Ų54.942%0.42129%0.291SS..EExtended strand (participates in β ladder)trans-123.597.4169.8-169.71760.500107.3D143 N164 T165D143-Q162 HydrophobicContact CB-CG 4.41Å; D143-Q162 WeakPolarHBondContact O-CG 3.5Å; D143-Q162 PolarHBondContact O-NE2 2.68Å; Q162-N164 PolarHBondContact O-N 3.42Å; Q162-T165 PolarHBondContact N-O 3.2Å; Q162-T165 PolarHBondContact O-N 3.38Å; Q162-T165 PolarHBondContact O-OG1 3.11Å
163G78.9Confident90Very high22 Ų2259.3 Ų59.323%0.22732%0.319CS..THydrogen-bonded Turntrans66.9-121.1-177.200000111.3D143 L161D143-G163 WeakPolarHBondContact OD2-CA 3.42Å; L161-G163 WeakPolarHBondContact CG-O 3.34Å
164N73.6Confident90.1Very high163 Ų16359.7 Ų59.787%0.87232%0.316SS*.THydrogen-bonded Turntrans-90.3-2.7173.7-156.217000113.3Q162Q162-N164 PolarHBondContact O-N 3.42Å
165T78.6Confident90.1Very high95 Ų9563.4 Ų63.458%0.58333%0.33SS*.EExtended strand (participates in β ladder)trans-93.2120.8179.264.40000110.3Q162Q162-T165 PolarHBondContact N-O 3.2Å; Q162-T165 PolarHBondContact O-N 3.38Å; Q162-T165 PolarHBondContact O-OG1 3.11Å
166R88.4Confident89.9Confident156 Ų15663.9 Ų63.959%0.58933%0.33SS*.EExtended strand (participates in β ladder)trans-103137.8174.875-177.8-170.7-169.8-5.7110L161 F264 N265 I268L161-R166 HydrophobicContact CD1-CB 4.16Å; R166-F264 HydrophobicContact CB-CE1 4.2Å; R166-N265 VanDerWaalsContact NH1-CG 3.28Å; R166-N265 PolarHBondContact NH1-ND2 3.18Å; R166-N265 PolarHBondContact NH1-OD1 2.95Å; R166-I268 HydrophobicContact CB-CD1 4.47Å
167E91.8Very high89.5Confident109 Ų10965.6 Ų65.651%0.50934%0.341SS..EExtended strand (participates in β ladder)trans-133.1128.9177.9-172.3179.1-167.100109.3G159 T160 L169G159-E167 CarbonylContact C-O 3.51Å; G159-E167 WeakPolarHBondContact CA-O 3.31Å; T160-E167 PolarHBondContact N-O 3.09Å; T160-E167 PolarHBondContact O-N 2.9Å; E167-L169 HydrophobicContact CG-CD2 4.24Å
168V93.9Very high89Confident59 Ų5973.9 Ų73.936%0.35838%0.377SS..EExtended strand (participates in β ladder)trans-97113.2174.2179.50000107.6L157 F264L157-V168 HydrophobicContact CD1-CG1 3.97Å; L157-V168 HydrophobicContact CD1-CG2 4.5Å; L157-V168 HydrophobicContact CD2-CG1 4.25Å; L157-V168 HydrophobicContact CG-CG1 3.97Å; V168-F264 HydrophobicContact CG2-CD1 4.23Å; V168-F264 HydrophobicContact CG2-CE1 4.09Å
169L93.2Very high88.2Confident59 Ų5982.9 Ų82.931%0.30942%0.416SS..EExtended strand (participates in β ladder)trans-81.2-49.6-175.6-62.8177.9000111.3F158 T160 E167 L212 F213F158-L169 PolarHBondContact O-N 3.16Å; T160-L169 HydrophobicContact CG2-CD1 3.72Å; T160-L169 HydrophobicContact CG2-CG 4.34Å; E167-L169 HydrophobicContact CG-CD2 4.24Å; L169-L212 HydrophobicContact CB-CD2 4.46Å; L169-F213 HydrophobicContact CD1-CE1 4.1Å
170H94.1Very high87.4Confident82 Ų8287.3 Ų87.338%0.3844%0.437SS..EExtended strand (participates in β ladder)trans-153147-175.6-167.863.9000111.4F158 F172 L212F158-H170 HydrophobicContact CB-CB 4.48Å; F158-H170 HydrophobicContact CD2-CB 4.38Å; F158-H170 PolarHBondContact N-O 2.87Å; F158-H170 PolarHBondContact O-N 3.1Å; H170-F172 AromaticContact CD2-CD1 3.8Å; H170-F172 AromaticContact NE2-CD1 3.79Å; H170-L212 HydrophobicContact CB-CD1 3.62Å; H170-L212 HydrophobicContact CB-CD2 4.37Å
171K94.7Very high86.1Confident126 Ų12691.1 Ų91.155%0.54848%0.476SS..EExtended strand (participates in β ladder)trans-141.7139.9171.962.1-178173.9-174.10110A156 L157 E261A156-K171 WeakPolarHBondContact O-CA 3.47Å; L157-K171 HydrophobicContact CB-CB 4.5Å; L157-K171 HydrophobicContact CG-CB 4.49Å; K171-E261 IonicContact NZ-OE1 2.74Å; K171-E261 PolarHBondContact NZ-OE1 2.93Å
172F94.3Very high85.3Confident24 Ų24101.4 Ų101.411%0.10551%0.514CS..EExtended strand (participates in β ladder)trans-142.7150.7171.566.5-101.7000111.1G155 A156 F158 H170 V174 Y201 K204 V205 T208G155-F172 CarbonylContact C-O 3.54Å; G155-F172 VanDerWaalsContact CA-O 3.23Å; G155-F172 WeakPolarHBondContact CA-O 3.42Å; A156-F172 HydrophobicContact CB-CE1 4.29Å; A156-F172 HydrophobicContact CB-CE2 4.27Å; A156-F172 HydrophobicContact CB-CZ 3.99Å; A156-F172 PolarHBondContact N-O 3.38Å; A156-F172 PolarHBondContact O-N 3.5Å; F158-F172 HydrophobicContact CE2-CD1 4.09Å; F158-F172 AromaticContact CE2-CE1 3.51Å; F158-F172 HydrophobicContact CE2-CE1 3.51Å; F158-F172 HydrophobicContact CE2-CZ 4.34Å; F158-F172 HydrophobicContact CZ-CE1 4.09Å; H170-F172 AromaticContact CD2-CD1 3.8Å; H170-F172 AromaticContact NE2-CD1 3.79Å; F172-V174 HydrophobicContact CD2-CG2 3.71Å; F172-V174 HydrophobicContact CE2-CG2 3.59Å; F172-Y201 HydrophobicContact CE2-CD2 4.2Å; F172-Y201 AromaticContact CE2-CE2 3.79Å; F172-Y201 HydrophobicContact CE2-CE2 3.79Å; F172-Y201 HydrophobicContact CZ-CE2 4.32Å; F172-K204 HydrophobicContact CD2-CD 4.41Å; F172-K204 HydrophobicContact CE2-CD 3.87Å; F172-K204 HydrophobicContact CE2-CG 4.2Å; F172-K204 HydrophobicContact CZ-CD 4.08Å; F172-K204 HydrophobicContact CZ-CG 3.91Å; F172-V205 HydrophobicContact CE2-CG2 4.46Å; F172-V205 HydrophobicContact CZ-CG2 3.8Å; F172-T208 HydrophobicContact CE1-CG2 4.14Å
173T92.9Very high84.8Confident123 Ų123100.9 Ų100.976%0.75553%0.533SS*.EExtended strand (participates in β ladder)trans-99.4151.5178.2540000110.9S154S154-T173 WeakPolarHBondContact O-CA 3.48Å
174V89.6Confident84.9Confident35 Ų35102.4 Ų102.421%0.21255%0.549CS..  trans-137.6135.2175.8-1790000108.9S154 F172 L176 Y201S154-V174 CarbonylContact C-O 3.5Å; S154-V174 PolarHBondContact O-N 3.08Å; F172-V174 HydrophobicContact CD2-CG2 3.71Å; F172-V174 HydrophobicContact CE2-CG2 3.59Å; V174-L176 HydrophobicContact CG1-CD2 4.07Å; V174-L176 HydrophobicContact CG1-CG 4.11Å; V174-Y201 HydrophobicContact CB-CD2 4.02Å; V174-Y201 HydrophobicContact CB-CE2 4.09Å; V174-Y201 HydrophobicContact CG1-CD2 4.13Å; V174-Y201 HydrophobicContact CG1-CG 4.29Å; V174-Y201 HydrophobicContact CG2-CD2 3.5Å; V174-Y201 VanDerWaalsContact CG2-CD2 3.5Å; V174-Y201 HydrophobicContact CG2-CE2 3.55Å; V174-Y201 HydrophobicContact CG2-CG 4.43Å
175D88.6Confident85.1Confident151 Ų151104 Ų10481%0.80755%0.551SS**  trans-96.4103.5173.8-169.420.1000110
176L87.4Confident85.1Confident21 Ų21102.6 Ų102.611%0.1155%0.545CS..  trans-95.1133.8177.9-69.2175.7000110.8V174 K178 K197 R198 Y201 F232V174-L176 HydrophobicContact CG1-CD2 4.07Å; V174-L176 HydrophobicContact CG1-CG 4.11Å; L176-K178 PolarHBondContact O-N 3.43Å; L176-K178 VanDerWaalsContact O-N 3.11Å; L176-K197 HydrophobicContact CD2-CB 4.1Å; L176-R198 HydrophobicContact CD1-CG 4.35Å; L176-R198 HydrophobicContact CD2-CG 4.28Å; L176-Y201 HydrophobicContact CD1-CD1 3.9Å; L176-Y201 HydrophobicContact CD1-CE1 4.27Å; L176-F232 HydrophobicContact CD1-CE1 4.44Å; L176-F232 HydrophobicContact CD1-CZ 3.82Å
177P86.1Confident84.8Confident38 Ų3897.4 Ų97.425%0.24754%0.535CS..  trans-65.7115.9179.325.7-33.2000111.1L193 R194 K197P177-L193 HydrophobicContact CG-CD2 4.44Å; P177-R194 HydrophobicContact CG-CB 4.04Å; P177-R194 HydrophobicContact CG-CG 4.22Å; P177-R194 WeakPolarHBondContact O-CD 3.13Å; P177-R194 WeakPolarHBondContact O-CG 3.2Å; P177-R194 PolarHBondContact O-NE 2.93Å; P177-K197 HydrophobicContact CG-CB 4.31Å; P177-K197 HydrophobicContact CG-CG 4.36Å
178K83.1Confident84.5Confident178 Ų17897.6 Ų97.677%0.77454%0.539SS*.PPolyproline II helixtrans-62.8161.2-179.9-63.4-175.3-178-179.70112.5L176 H180 R194L176-K178 PolarHBondContact O-N 3.43Å; L176-K178 VanDerWaalsContact O-N 3.11Å; K178-H180 PolarHBondContact O-N 3.37Å; K178-R194 PolarHBondContact O-NE 3.45Å; K178-R194 PolarHBondContact O-NH2 3.16Å
179K80.8Confident84.1Confident188 Ų188101.9 Ų101.982%0.81755%0.549SS*.PPolyproline II helixtrans-60.9125.2175.5-167.2175.1-179.7179.90109.4
180H77Confident83.7Confident94 Ų94102.5 Ų102.544%0.43555%0.549SS..PPolyproline II helixtrans-75130.8173.7-64-70.3000109.4K178 F190 R194K178-H180 PolarHBondContact O-N 3.37Å; H180-F190 WeakPolarHBondContact CD2-CB 3.4Å; H180-F190 AromaticContact CD2-CD2 3.97Å; H180-F190 AromaticContact CD2-CG 3.54Å; H180-F190 WeakPolarHBondContact NE2-CB 3.45Å; H180-F190 AromaticContact NE2-CD1 3.35Å; H180-F190 VanDerWaalsContact NE2-CD1 3.35Å; H180-F190 WeakPolarHBondContact NE2-CD1 3.4Å; H180-F190 AromaticContact NE2-CG 3.35Å; H180-F190 VanDerWaalsContact NE2-CG 3.35Å; H180-F190 WeakPolarHBondContact NE2-CG 3.5Å; H180-R194 PolarHBondContact CD2-NH2 3.04Å; H180-R194 VanDerWaalsContact CD2-NH2 3.34Å
181G66.2Low83.3Confident83 Ų83100.4 Ų100.486%0.85655%0.546SS*.  trans-87.6-9.3179.800000114.9
182R72.5Confident83Confident234 Ų234102.7 Ų102.788%0.88355%0.551SS**SBendtrans-113.1124.8-178.8-71-178.7162.3146.9-3.4110.3
183G74.9Confident82.7Confident79 Ų79104.6 Ų104.681%0.81456%0.562SS**  trans-72156177.600000112.8
184G82.1Confident82.4Confident54 Ų54100.4 Ų100.456%0.55753%0.532SS*.SBendtrans171.8173.6177.700000112.5S186 A187G184-S186 PolarHBondContact O-N 3.28Å; G184-S186 VanDerWaalsContact O-N 3.12Å; G184-A187 WeakPolarHBondContact O-CB 3.48Å; G184-A187 PolarHBondContact O-N 3.22Å
185Q76.3Confident82.4Confident197 Ų197103.4 Ų103.492%0.92155%0.545SS*.THydrogen-bonded Turntrans-56.1-30.2-179-67.3-68.4-1100113
186S79.6Confident82.4Confident65 Ų65101.8 Ų101.846%0.45553%0.533SS..THydrogen-bonded Turntrans-84.5-2.4179-55.10000114.4G184 L188 R189 F190G184-S186 PolarHBondContact O-N 3.28Å; G184-S186 VanDerWaalsContact O-N 3.12Å; S186-L188 VanDerWaalsContact C-N 3.32Å; S186-L188 PolarHBondContact O-N 3.17Å; S186-R189 WeakPolarHBondContact O-CB 3.33Å; S186-R189 PolarHBondContact O-N 2.99Å; S186-R189 VanDerWaalsContact O-N 3.15Å; S186-F190 WeakPolarHBondContact O-CD2 3.2Å; S186-F190 PolarHBondContact O-N 2.9Å; S186-F190 VanDerWaalsContact O-N 3.08Å
187A81.8Confident82.6Confident47 Ų47106 Ų10639%0.38855%0.55SS.*Hα-helixtrans-59.5-40.9-175.500000112.5G184 F190 A191G184-A187 WeakPolarHBondContact O-CB 3.48Å; G184-A187 PolarHBondContact O-N 3.22Å; A187-F190 PolarHBondContact O-N 2.88Å; A187-A191 PolarHBondContact O-N 3.2Å
188L84.9Confident82.7Confident112 Ų112107.7 Ų107.759%0.58655%0.552SS**Hα-helixtrans-65.1-40.3177.3-173.767.2000111.9S186 A191 R192S186-L188 VanDerWaalsContact C-N 3.32Å; S186-L188 PolarHBondContact O-N 3.17Å; L188-A191 WeakPolarHBondContact O-CB 3.35Å; L188-A191 PolarHBondContact O-N 3.28Å; L188-R192 WeakPolarHBondContact O-CG 3.22Å; L188-R192 PolarHBondContact O-N 2.99Å
189R86.9Confident83.1Confident149 Ų149102.7 Ų102.756%0.56253%0.531SS*.Hα-helixtrans-60.6-46.5176.1178.8-175.7169.6-86.8-1111.1S186 A191 R192 L193S186-R189 WeakPolarHBondContact O-CB 3.33Å; S186-R189 PolarHBondContact O-N 2.99Å; S186-R189 VanDerWaalsContact O-N 3.15Å; R189-A191 VanDerWaalsContact C-N 3.32Å; R189-A191 PolarHBondContact O-N 3.07Å; R189-R192 PolarHBondContact O-N 2.89Å; R189-L193 PolarHBondContact O-N 3.36Å
190F84.6Confident83.6Confident72 Ų7296.9 Ų96.932%0.31651%0.509SS..Hα-helixtrans-68.6-30.6178.1-68.3-66.9000113.2H180 S186 A187 R194H180-F190 WeakPolarHBondContact CD2-CB 3.4Å; H180-F190 AromaticContact CD2-CD2 3.97Å; H180-F190 AromaticContact CD2-CG 3.54Å; H180-F190 WeakPolarHBondContact NE2-CB 3.45Å; H180-F190 AromaticContact NE2-CD1 3.35Å; H180-F190 VanDerWaalsContact NE2-CD1 3.35Å; H180-F190 WeakPolarHBondContact NE2-CD1 3.4Å; H180-F190 AromaticContact NE2-CG 3.35Å; H180-F190 VanDerWaalsContact NE2-CG 3.35Å; H180-F190 WeakPolarHBondContact NE2-CG 3.5Å; S186-F190 WeakPolarHBondContact O-CD2 3.2Å; S186-F190 PolarHBondContact O-N 2.9Å; S186-F190 VanDerWaalsContact O-N 3.08Å; A187-F190 PolarHBondContact O-N 2.88Å; F190-R194 WeakPolarHBondContact O-CB 3.33Å; F190-R194 PolarHBondContact O-N 2.89Å
191A85.6Confident84.3Confident38 Ų3892.6 Ų92.631%0.31449%0.489SS..Hα-helixtrans-63.9-45.1171.300000111.5A187 L188 R189 R194 M195A187-A191 PolarHBondContact O-N 3.2Å; L188-A191 WeakPolarHBondContact O-CB 3.35Å; L188-A191 PolarHBondContact O-N 3.28Å; R189-A191 VanDerWaalsContact C-N 3.32Å; R189-A191 PolarHBondContact O-N 3.07Å; A191-R194 PolarHBondContact O-N 3.34Å; A191-M195 WeakPolarHBondContact O-CG 3.43Å; A191-M195 PolarHBondContact O-N 3.35Å
192R87.6Confident85.5Confident174 Ų17488.9 Ų88.966%0.65745%0.45SS*.Hα-helixtrans-60.6-49.3175.1-71.6-178.6-176.3179.10.9112L188 R189 R194 M195 E196L188-R192 WeakPolarHBondContact O-CG 3.22Å; L188-R192 PolarHBondContact O-N 2.99Å; R189-R192 PolarHBondContact O-N 2.89Å; R192-R194 PolarHBondContact O-N 2.95Å; R192-M195 PolarHBondContact O-N 3.35Å; R192-E196 WeakPolarHBondContact O-CB 3.39Å; R192-E196 PolarHBondContact O-N 2.94Å
193L88.6Confident86.5Confident64 Ų6482.7 Ų82.734%0.33543%0.426SS..Hα-helixtrans-60.6-32.3179.4-161.4122.5000112.3P177 R189 K197P177-L193 HydrophobicContact CG-CD2 4.44Å; R189-L193 PolarHBondContact O-N 3.36Å; L193-K197 WeakPolarHBondContact O-CB 3.33Å; L193-K197 WeakPolarHBondContact O-CG 3.11Å; L193-K197 PolarHBondContact O-N 2.98Å
194R87.3Confident87.3Confident35 Ų3583.5 Ų83.513%0.13241%0.407CS..Hα-helixtrans-69.8-43173.4-174.8-176.6-55.699.710.1112.8P177 K178 H180 F190 A191 R192 E196 R198P177-R194 HydrophobicContact CG-CB 4.04Å; P177-R194 HydrophobicContact CG-CG 4.22Å; P177-R194 WeakPolarHBondContact O-CD 3.13Å; P177-R194 WeakPolarHBondContact O-CG 3.2Å; P177-R194 PolarHBondContact O-NE 2.93Å; K178-R194 PolarHBondContact O-NE 3.45Å; K178-R194 PolarHBondContact O-NH2 3.16Å; H180-R194 PolarHBondContact CD2-NH2 3.04Å; H180-R194 VanDerWaalsContact CD2-NH2 3.34Å; F190-R194 WeakPolarHBondContact O-CB 3.33Å; F190-R194 PolarHBondContact O-N 2.89Å; A191-R194 PolarHBondContact O-N 3.34Å; R192-R194 PolarHBondContact O-N 2.95Å; R194-E196 VanDerWaalsContact C-N 3.34Å; R194-R198 WeakPolarHBondContact O-CB 3.25Å; R194-R198 WeakPolarHBondContact O-CG 3.28Å; R194-R198 PolarHBondContact O-N 3.46Å
195M87.8Confident87.9Confident98 Ų9881 Ų8148%0.48338%0.381SS..Hα-helixtrans-63.3-43.3175.2-67.4-55.8-64.500111A191 R192 K197 R198 H199A191-M195 WeakPolarHBondContact O-CG 3.43Å; A191-M195 PolarHBondContact O-N 3.35Å; R192-M195 PolarHBondContact O-N 3.35Å; M195-K197 PolarHBondContact O-N 3.23Å; M195-R198 PolarHBondContact O-N 3.48Å; M195-R198 VanDerWaalsContact SD-CZ 3.57Å; M195-R198 PolarHBondContact SD-NH2 3.15Å; M195-H199 WeakPolarHBondContact O-CB 3.49Å; M195-H199 PolarHBondContact O-N 2.94Å
196E90.1Very high88.7Confident118 Ų11871.7 Ų71.755%0.55134%0.338SS*.Hα-helixtrans-62.1-45.5178.8-171.3-179178.100112.1R192 R194 R198 H199 N200R192-E196 WeakPolarHBondContact O-CB 3.39Å; R192-E196 PolarHBondContact O-N 2.94Å; R194-E196 VanDerWaalsContact C-N 3.34Å; E196-R198 PolarHBondContact O-N 3.29Å; E196-H199 PolarHBondContact O-N 3.35Å; E196-N200 VanDerWaalsContact O-CG 3.31Å; E196-N200 PolarHBondContact O-N 3.49Å; E196-N200 PolarHBondContact O-ND2 3.02Å
197K90.3Very high89.3Confident108 Ų10874.1 Ų74.147%0.4734%0.342SS..Hα-helixtrans-65.1-36.4175.4-74.1-70-176.4179.90112.8L176 P177 L193 M195 Y201L176-K197 HydrophobicContact CD2-CB 4.1Å; P177-K197 HydrophobicContact CG-CB 4.31Å; P177-K197 HydrophobicContact CG-CG 4.36Å; L193-K197 WeakPolarHBondContact O-CB 3.33Å; L193-K197 WeakPolarHBondContact O-CG 3.11Å; L193-K197 PolarHBondContact O-N 2.98Å; M195-K197 PolarHBondContact O-N 3.23Å; K197-Y201 WeakPolarHBondContact O-CB 3.41Å; K197-Y201 PolarHBondContact O-N 3.04Å
198R89.3Confident89.9Confident75 Ų7573.1 Ų73.128%0.28333%0.331SS..Hα-helixtrans-65.1-45.9173.9-79.2-168.5-81.8179.8-7.5111.8L176 R194 M195 E196 N200 Y201 V202 F232L176-R198 HydrophobicContact CD1-CG 4.35Å; L176-R198 HydrophobicContact CD2-CG 4.28Å; R194-R198 WeakPolarHBondContact O-CB 3.25Å; R194-R198 WeakPolarHBondContact O-CG 3.28Å; R194-R198 PolarHBondContact O-N 3.46Å; M195-R198 PolarHBondContact O-N 3.48Å; M195-R198 VanDerWaalsContact SD-CZ 3.57Å; M195-R198 PolarHBondContact SD-NH2 3.15Å; E196-R198 PolarHBondContact O-N 3.29Å; R198-N200 VanDerWaalsContact C-N 3.35Å; R198-N200 PolarHBondContact O-N 3.48Å; R198-Y201 WeakPolarHBondContact O-CA 3.38Å; R198-Y201 WeakPolarHBondContact O-CB 3.48Å; R198-Y201 PolarHBondContact O-N 3.02Å; R198-Y201 VanDerWaalsContact O-N 3.08Å; R198-V202 WeakPolarHBondContact O-CG2 3.32Å; R198-V202 PolarHBondContact O-N 3.05Å; R198-F232 HydrophobicContact CB-CE1 4.1Å; R198-F232 VanDerWaalsContact CD-CE1 3.44Å; R198-F232 VanDerWaalsContact CD-CZ 3.48Å; R198-F232 HydrophobicContact CG-CE1 3.63Å; R198-F232 HydrophobicContact CG-CZ 3.82Å
199H90.3Very high90.2Very high72 Ų7267.8 Ų67.833%0.33330%0.303SS..Hα-helixtrans-60.4-44.3176.9-175.676.8000111.9M195 E196 Y201 V202 R203 M241M195-H199 WeakPolarHBondContact O-CB 3.49Å; M195-H199 PolarHBondContact O-N 2.94Å; E196-H199 PolarHBondContact O-N 3.35Å; H199-Y201 VanDerWaalsContact C-N 3.27Å; H199-Y201 PolarHBondContact O-N 3.4Å; H199-V202 PolarHBondContact O-N 3.38Å; H199-R203 PolarHBondContact CD2-NH2 2.83Å; H199-R203 PolarHBondContact NE2-NH2 3.01Å; H199-R203 PolarHBondContact O-N 2.83Å; H199-M241 VanDerWaalsContact CE1-CE 3.47Å; H199-M241 WeakPolarHBondContact CE1-CE 3.26Å; H199-M241 PolarHBondContact CE1-SD 2.95Å
200N91.7Very high90.5Very high66 Ų6662.8 Ų62.835%0.35329%0.289SS..Hα-helixtrans-63.7-33.5174.9-70.9-23.7000112.7E196 R198 K204E196-N200 VanDerWaalsContact O-CG 3.31Å; E196-N200 PolarHBondContact O-N 3.49Å; E196-N200 PolarHBondContact O-ND2 3.02Å; R198-N200 VanDerWaalsContact C-N 3.35Å; R198-N200 PolarHBondContact O-N 3.48Å; N200-K204 WeakPolarHBondContact O-CB 3.34Å; N200-K204 PolarHBondContact O-N 2.86Å
201Y92.2Very high90.8Very high5 Ų564.6 Ų64.62%0.0231%0.307CS..Hα-helixtrans-67.4-48.5174.8174-135.7000111.8I151 D152 G155 A156 F172 V174 L176 K197 R198 H199 R203 K204 V205 F232I151-Y201 HydrophobicContact CG2-CE1 3.75Å; D152-Y201 WeakPolarHBondContact O-CE1 3.46Å; D152-Y201 PolarHBondContact O-OH 3.27Å; G155-Y201 PolarHBondContact O-OH 2.82Å; A156-Y201 HydrophobicContact CB-CE2 4.24Å; A156-Y201 PolarHBondContact N-OH 3.09Å; F172-Y201 HydrophobicContact CE2-CD2 4.2Å; F172-Y201 AromaticContact CE2-CE2 3.79Å; F172-Y201 HydrophobicContact CE2-CE2 3.79Å; F172-Y201 HydrophobicContact CZ-CE2 4.32Å; V174-Y201 HydrophobicContact CB-CD2 4.02Å; V174-Y201 HydrophobicContact CB-CE2 4.09Å; V174-Y201 HydrophobicContact CG1-CD2 4.13Å; V174-Y201 HydrophobicContact CG1-CG 4.29Å; V174-Y201 HydrophobicContact CG2-CD2 3.5Å; V174-Y201 VanDerWaalsContact CG2-CD2 3.5Å; V174-Y201 HydrophobicContact CG2-CE2 3.55Å; V174-Y201 HydrophobicContact CG2-CG 4.43Å; L176-Y201 HydrophobicContact CD1-CD1 3.9Å; L176-Y201 HydrophobicContact CD1-CE1 4.27Å; K197-Y201 WeakPolarHBondContact O-CB 3.41Å; K197-Y201 PolarHBondContact O-N 3.04Å; R198-Y201 WeakPolarHBondContact O-CA 3.38Å; R198-Y201 WeakPolarHBondContact O-CB 3.48Å; R198-Y201 PolarHBondContact O-N 3.02Å; R198-Y201 VanDerWaalsContact O-N 3.08Å; H199-Y201 VanDerWaalsContact C-N 3.27Å; H199-Y201 PolarHBondContact O-N 3.4Å; Y201-R203 VanDerWaalsContact C-N 3.28Å; Y201-R203 PolarHBondContact O-N 3.38Å; Y201-K204 PolarHBondContact O-N 2.68Å; Y201-K204 VanDerWaalsContact O-N 3.17Å; Y201-V205 HydrophobicContact CD2-CG2 3.85Å; Y201-V205 HydrophobicContact CE2-CG2 3.47Å; Y201-V205 VanDerWaalsContact CE2-CG2 3.47Å; Y201-V205 WeakPolarHBondContact O-CG2 3.22Å; Y201-V205 PolarHBondContact O-N 3.43Å; Y201-F232 HydrophobicContact CD1-CE1 4.44Å
202V91.6Very high91.1Very high5 Ų564.9 Ų64.93%0.0330%0.303CS..Hα-helixtrans-57.8-43.1175.9176.60000110.6R198 H199 K204 V205 A206 F232 L236 M241R198-V202 WeakPolarHBondContact O-CG2 3.32Å; R198-V202 PolarHBondContact O-N 3.05Å; H199-V202 PolarHBondContact O-N 3.38Å; V202-K204 PolarHBondContact O-N 3.4Å; V202-V205 PolarHBondContact O-N 2.78Å; V202-A206 WeakPolarHBondContact O-CB 3.3Å; V202-A206 PolarHBondContact O-N 3.22Å; V202-F232 HydrophobicContact CG2-CD1 4.49Å; V202-L236 HydrophobicContact CG1-CB 4.33Å; V202-L236 HydrophobicContact CG1-CD1 3.67Å; V202-M241 HydrophobicContact CB-CE 4.03Å; V202-M241 HydrophobicContact CG1-CE 3.57Å
203R92.3Very high91.3Very high103 Ų10356.6 Ų56.639%0.38927%0.271SS..Hα-helixtrans-57.7-50.2174.5-173.4-178.4-57.7168.62.8112.4H199 Y201 V205 A206 E207 M241H199-R203 PolarHBondContact CD2-NH2 2.83Å; H199-R203 PolarHBondContact NE2-NH2 3.01Å; H199-R203 PolarHBondContact O-N 2.83Å; Y201-R203 VanDerWaalsContact C-N 3.28Å; Y201-R203 PolarHBondContact O-N 3.38Å; R203-V205 VanDerWaalsContact C-N 3.29Å; R203-V205 PolarHBondContact O-N 2.96Å; R203-A206 PolarHBondContact O-N 2.96Å; R203-E207 HydrophobicContact CG-CG 4.47Å; R203-E207 WeakPolarHBondContact CG-OE1 3.41Å; R203-E207 WeakPolarHBondContact O-CG 3.45Å; R203-E207 PolarHBondContact O-N 2.97Å; R203-M241 HydrophobicContact CB-SD 3.89Å; R203-M241 HydrophobicContact CG-SD 4.37Å
204K93.6Very high91.4Very high97 Ų9754.6 Ų54.642%0.42226%0.261SS..Hα-helixtrans-60.3-40.2178.9-175177.2177.4-178.60111.8F172 N200 Y201 V202 T208F172-K204 HydrophobicContact CD2-CD 4.41Å; F172-K204 HydrophobicContact CE2-CD 3.87Å; F172-K204 HydrophobicContact CE2-CG 4.2Å; F172-K204 HydrophobicContact CZ-CD 4.08Å; F172-K204 HydrophobicContact CZ-CG 3.91Å; N200-K204 WeakPolarHBondContact O-CB 3.34Å; N200-K204 PolarHBondContact O-N 2.86Å; Y201-K204 PolarHBondContact O-N 2.68Å; Y201-K204 VanDerWaalsContact O-N 3.17Å; V202-K204 PolarHBondContact O-N 3.4Å; K204-T208 WeakPolarHBondContact O-CB 3.34Å; K204-T208 PolarHBondContact O-N 3.03Å; K204-T208 PolarHBondContact O-OG1 3Å
205V93.4Very high91.4Very high1 Ų155.8 Ų55.81%0.00628%0.275CS..Hα-helixtrans-63.6-45.7176.1170.70000110.7I149 I151 A156 F158 F172 Y201 V202 R203 T208 A209 L236I149-V205 HydrophobicContact CG2-CG1 3.98Å; I151-V205 HydrophobicContact CD1-CG1 4.08Å; I151-V205 HydrophobicContact CG1-CG1 4.24Å; A156-V205 HydrophobicContact CB-CG2 3.8Å; F158-V205 HydrophobicContact CE1-CG1 4.21Å; F158-V205 HydrophobicContact CZ-CB 4.4Å; F158-V205 HydrophobicContact CZ-CG1 3.88Å; F172-V205 HydrophobicContact CE2-CG2 4.46Å; F172-V205 HydrophobicContact CZ-CG2 3.8Å; Y201-V205 HydrophobicContact CD2-CG2 3.85Å; Y201-V205 HydrophobicContact CE2-CG2 3.47Å; Y201-V205 VanDerWaalsContact CE2-CG2 3.47Å; Y201-V205 WeakPolarHBondContact O-CG2 3.22Å; Y201-V205 PolarHBondContact O-N 3.43Å; V202-V205 PolarHBondContact O-N 2.78Å; R203-V205 VanDerWaalsContact C-N 3.29Å; R203-V205 PolarHBondContact O-N 2.96Å; V205-T208 PolarHBondContact O-N 2.98Å; V205-A209 WeakPolarHBondContact O-CB 3.5Å; V205-A209 PolarHBondContact O-N 3.06Å; V205-L236 HydrophobicContact CG1-CD1 4.46Å; V205-L236 HydrophobicContact CG1-CD2 4.05Å
206A93.2Very high91.1Very high2 Ų259 Ų592%0.01729%0.294CS..Hα-helixtrans-61.1-48.5178.100000112.2V202 R203 T208 A209 V210 L236 M241 F242V202-A206 WeakPolarHBondContact O-CB 3.3Å; V202-A206 PolarHBondContact O-N 3.22Å; R203-A206 PolarHBondContact O-N 2.96Å; A206-T208 VanDerWaalsContact C-N 3.34Å; A206-T208 PolarHBondContact O-N 3.35Å; A206-A209 WeakPolarHBondContact O-CB 3.37Å; A206-A209 PolarHBondContact O-N 3.45Å; A206-V210 WeakPolarHBondContact O-CG2 3.49Å; A206-V210 PolarHBondContact O-N 3.39Å; A206-V210 VanDerWaalsContact O-N 3.1Å; A206-L236 HydrophobicContact CB-CD1 4.01Å; A206-M241 WeakPolarHBondContact CB-O 3.13Å; A206-F242 HydrophobicContact CB-CD2 4.06Å
207E92.4Very high90.5Very high116 Ų11659.2 Ų59.254%0.54230%0.299SS..Hα-helixtrans-62.5-40.1178.3-70.6171.4-177.600112.3R203 A209 V210 T211R203-E207 HydrophobicContact CG-CG 4.47Å; R203-E207 WeakPolarHBondContact CG-OE1 3.41Å; R203-E207 WeakPolarHBondContact O-CG 3.45Å; R203-E207 PolarHBondContact O-N 2.97Å; E207-A209 VanDerWaalsContact C-N 3.34Å; E207-V210 PolarHBondContact O-N 3.37Å; E207-T211 PolarHBondContact O-N 2.98Å; E207-T211 VanDerWaalsContact O-N 3.16Å; E207-T211 PolarHBondContact O-OG1 3.32Å
208T93.7Very high90.1Very high26 Ų2658.7 Ų58.716%0.1630%0.297CS..Hα-helixtrans-67.1-38.1176.9-51.70000111.1F158 F172 K204 V205 A206 V210 T211 L212F158-T208 HydrophobicContact CD2-CG2 4.15Å; F158-T208 HydrophobicContact CE2-CG2 3.78Å; F158-T208 HydrophobicContact CZ-CG2 3.96Å; F172-T208 HydrophobicContact CE1-CG2 4.14Å; K204-T208 WeakPolarHBondContact O-CB 3.34Å; K204-T208 PolarHBondContact O-N 3.03Å; K204-T208 PolarHBondContact O-OG1 3Å; V205-T208 PolarHBondContact O-N 2.98Å; A206-T208 VanDerWaalsContact C-N 3.34Å; A206-T208 PolarHBondContact O-N 3.35Å; T208-V210 PolarHBondContact O-N 2.89Å; T208-T211 PolarHBondContact O-N 3.02Å; T208-L212 HydrophobicContact CG2-CD1 3.85Å; T208-L212 HydrophobicContact CG2-CG 4.44Å; T208-L212 WeakPolarHBondContact O-CG 3.37Å; T208-L212 PolarHBondContact O-N 3.01Å; T208-L212 VanDerWaalsContact O-N 3.12Å
209A92.8Very high90Very high0 Ų056.6 Ų56.60%029%0.293CS..Hα-helixtrans-60.9-44175.900000111.7I149 F158 V205 A206 E207 T211 L212 F213 F242 L246I149-A209 HydrophobicContact CD1-CB 3.68Å; F158-A209 HydrophobicContact CE1-CB 3.94Å; V205-A209 WeakPolarHBondContact O-CB 3.5Å; V205-A209 PolarHBondContact O-N 3.06Å; A206-A209 WeakPolarHBondContact O-CB 3.37Å; A206-A209 PolarHBondContact O-N 3.45Å; E207-A209 VanDerWaalsContact C-N 3.34Å; A209-T211 PolarHBondContact O-N 2.95Å; A209-L212 PolarHBondContact O-N 3.44Å; A209-F213 HydrophobicContact CB-CD2 4.28Å; A209-F213 WeakPolarHBondContact O-CB 3.47Å; A209-F213 WeakPolarHBondContact O-CD2 3.4Å; A209-F213 PolarHBondContact O-N 3.44Å; A209-F242 HydrophobicContact CB-CE2 3.94Å; A209-L246 HydrophobicContact CB-CD1 4.18Å
210V92.4Very high89.8Confident44 Ų4456 Ų5627%0.26729%0.292SS..Hα-helixtrans-60.3-47.3177.1175.90000110.6A206 E207 T208 L212 V214 D243 L246A206-V210 WeakPolarHBondContact O-CG2 3.49Å; A206-V210 PolarHBondContact O-N 3.39Å; A206-V210 VanDerWaalsContact O-N 3.1Å; E207-V210 PolarHBondContact O-N 3.37Å; T208-V210 PolarHBondContact O-N 2.89Å; V210-L212 VanDerWaalsContact C-N 3.25Å; V210-L212 PolarHBondContact O-N 3.39Å; V210-V214 HydrophobicContact CG1-CB 4.27Å; V210-V214 HydrophobicContact CG1-CG2 4.16Å; V210-V214 WeakPolarHBondContact O-CA 3.4Å; V210-V214 WeakPolarHBondContact O-CB 3.36Å; V210-V214 PolarHBondContact O-N 3.03Å; V210-D243 HydrophobicContact CG2-CB 3.59Å; V210-L246 HydrophobicContact CG2-CD1 4.15Å
211T91.7Very high89.6Confident110 Ų11053.2 Ų53.268%0.67528%0.277SS*.Hα-helixtrans-61.1-33.9-178.9-52.10000112.8E207 T208 A209E207-T211 PolarHBondContact O-N 2.98Å; E207-T211 VanDerWaalsContact O-N 3.16Å; E207-T211 PolarHBondContact O-OG1 3.32Å; T208-T211 PolarHBondContact O-N 3.02Å; A209-T211 PolarHBondContact O-N 2.95Å
212L91.2Very high89.1Confident44 Ų4454.5 Ų54.523%0.2329%0.289CS..Hα-helixtrans-90.7-38.2-176.3-67.5172.3000113.7F158 L169 H170 T208 A209 V210 N220F158-L212 HydrophobicContact CB-CD1 3.57Å; F158-L212 HydrophobicContact CD1-CD1 4.12Å; F158-L212 HydrophobicContact CD2-CD1 4.1Å; F158-L212 HydrophobicContact CG-CD1 3.66Å; L169-L212 HydrophobicContact CB-CD2 4.46Å; H170-L212 HydrophobicContact CB-CD1 3.62Å; H170-L212 HydrophobicContact CB-CD2 4.37Å; T208-L212 HydrophobicContact CG2-CD1 3.85Å; T208-L212 HydrophobicContact CG2-CG 4.44Å; T208-L212 WeakPolarHBondContact O-CG 3.37Å; T208-L212 PolarHBondContact O-N 3.01Å; T208-L212 VanDerWaalsContact O-N 3.12Å; A209-L212 PolarHBondContact O-N 3.44Å; V210-L212 VanDerWaalsContact C-N 3.25Å; V210-L212 PolarHBondContact O-N 3.39Å; L212-N220 PolarHBondContact O-ND2 3.31Å
213F91.8Very high89Confident0 Ų054.3 Ų54.30%029%0.288CS..Hα-helixtrans-101.3-11.8-173-64.3-62.4000114I149 F158 T160 L169 A209 V219 N220 V221 L246I149-F213 HydrophobicContact CD1-CD2 4.46Å; I149-F213 HydrophobicContact CD1-CE2 4.07Å; I149-F213 HydrophobicContact CG1-CE2 3.79Å; F158-F213 AromaticContact CD1-CE2 3.97Å; F158-F213 HydrophobicContact CD1-CE2 3.97Å; T160-F213 HydrophobicContact CG2-CE1 3.7Å; L169-F213 HydrophobicContact CD1-CE1 4.1Å; A209-F213 HydrophobicContact CB-CD2 4.28Å; A209-F213 WeakPolarHBondContact O-CB 3.47Å; A209-F213 WeakPolarHBondContact O-CD2 3.4Å; A209-F213 PolarHBondContact O-N 3.44Å; F213-V219 WeakPolarHBondContact O-CA 3.46Å; F213-N220 WeakPolarHBondContact CA-OD1 3.37Å; F213-N220 PolarHBondContact O-N 3.01Å; F213-N220 PolarHBondContact O-OD1 3.12Å; F213-V221 HydrophobicContact CB-CG2 4.43Å; F213-V221 HydrophobicContact CD1-CG1 3.79Å; F213-V221 HydrophobicContact CD1-CG2 4.08Å; F213-V221 HydrophobicContact CE1-CG1 4.08Å; F213-V221 HydrophobicContact CG-CG2 4.47Å; F213-L246 HydrophobicContact CB-CD2 3.83Å
214V90.6Very high88.9Confident21 Ų2149.4 Ų49.413%0.12727%0.269CS..EExtended strand (participates in β ladder)trans-109122.4174.3-172.50000108.7V210 K218 L246V210-V214 HydrophobicContact CG1-CB 4.27Å; V210-V214 HydrophobicContact CG1-CG2 4.16Å; V210-V214 WeakPolarHBondContact O-CA 3.4Å; V210-V214 WeakPolarHBondContact O-CB 3.36Å; V210-V214 PolarHBondContact O-N 3.03Å; V214-K218 WeakPolarHBondContact CA-O 3.4Å; V214-L246 HydrophobicContact CG2-CD1 4.25Å; V214-L246 HydrophobicContact CG2-CD2 4.07Å; V214-L246 HydrophobicContact CG2-CG 4.12Å
215S87.3Confident88.9Confident61 Ų6144.8 Ų44.843%0.42725%0.249SC..EExtended strand (participates in β ladder)trans-133.3128.4176.1-56.90000108.6D217 K218S215-D217 PolarHBondContact O-N 2.84Å; S215-K218 PolarHBondContact N-O 3.14Å; S215-K218 PolarHBondContact O-N 2.75Å; S215-K218 VanDerWaalsContact O-N 3.11Å
216N80.8Confident89Confident165 Ų16544.8 Ų44.888%0.88225%0.249SC*.THydrogen-bonded Turntrans51.151.3-175.9-58.4-26.4000112.9K218N216-K218 PolarHBondContact O-N 3.45Å
217D79.4Confident89Confident123 Ų12344.7 Ų44.766%0.65825%0.248SC*.THydrogen-bonded Turntrans59.88.4-178.2-84.1-54.6000116.3S215 R245S215-D217 PolarHBondContact O-N 2.84Å; D217-R245 PolarHBondContact O-NH1 3.37Å; D217-R245 IonicContact OD1-CZ 3.41Å; D217-R245 IonicContact OD1-NH1 3.03Å; D217-R245 PolarHBondContact OD1-NH1 3Å; D217-R245 IonicContact OD1-NH2 3.7Å
218K81.1Confident89Confident97 Ų9739.1 Ų39.142%0.42222%0.222SC..EExtended strand (participates in β ladder)trans-122.4141.9-178-165.8171179.11770111.3D4 V214 S215 N216 N220D4-K218 WeakPolarHBondContact OD1-CE 3.44Å; D4-K218 IonicContact OD1-NZ 2.64Å; D4-K218 PolarHBondContact OD1-NZ 2.8Å; D4-K218 WeakPolarHBondContact OD2-CE 3.47Å; D4-K218 IonicContact OD2-NZ 3.68Å; D4-K218 PolarHBondContact OD2-NZ 3.45Å; V214-K218 WeakPolarHBondContact CA-O 3.4Å; S215-K218 PolarHBondContact N-O 3.14Å; S215-K218 PolarHBondContact O-N 2.75Å; S215-K218 VanDerWaalsContact O-N 3.11Å; N216-K218 PolarHBondContact O-N 3.45Å; K218-N220 PolarHBondContact O-N 3.48Å
219V86.6Confident88.3Confident31 Ų3139.4 Ų39.419%0.18823%0.225CC..EExtended strand (participates in β ladder)trans-71.2127.4175.4-174.90000108.7F213 V221 R245 L246F213-V219 WeakPolarHBondContact O-CA 3.46Å; V219-V221 HydrophobicContact CG1-CG2 3.57Å; V219-V221 WeakPolarHBondContact CG1-O 3.43Å; V219-R245 HydrophobicContact CG2-CB 4.06Å; V219-L246 HydrophobicContact CB-CD2 4.46Å; V219-L246 HydrophobicContact CG1-CD2 3.71Å; V219-L246 HydrophobicContact CG2-CD2 3.93Å
220N86.1Confident87.6Confident60 Ų6042.5 Ų42.532%0.32125%0.251SS..SBendtrans-84.1-11.9-177.365.313.2000113.8L212 F213 K218L212-N220 PolarHBondContact O-ND2 3.31Å; F213-N220 WeakPolarHBondContact CA-OD1 3.37Å; F213-N220 PolarHBondContact O-N 3.01Å; F213-N220 PolarHBondContact O-OD1 3.12Å; K218-N220 PolarHBondContact O-N 3.48Å
221V86.8Confident87.3Confident7 Ų746.4 Ų46.44%0.04227%0.27CS..SBendtrans-107.4142.7179-72.60000111.1K145 T160 F213 V219 G223K145-V221 HydrophobicContact CG-CG1 4.2Å; K145-V221 CarbonylContact O-C 3.52Å; K145-V221 VanDerWaalsContact O-CA 3.31Å; K145-V221 WeakPolarHBondContact O-CA 3.19Å; K145-V221 WeakPolarHBondContact O-CB 3.29Å; T160-V221 HydrophobicContact CG2-CG1 4.19Å; F213-V221 HydrophobicContact CB-CG2 4.43Å; F213-V221 HydrophobicContact CD1-CG1 3.79Å; F213-V221 HydrophobicContact CD1-CG2 4.08Å; F213-V221 HydrophobicContact CE1-CG1 4.08Å; F213-V221 HydrophobicContact CG-CG2 4.47Å; V219-V221 HydrophobicContact CG1-CG2 3.57Å; V219-V221 WeakPolarHBondContact CG1-O 3.43Å; V221-G223 VanDerWaalsContact C-N 3.3Å
222A83.8Confident87.1Confident32 Ų3242.4 Ų42.426%0.26424%0.243SC..SBendtrans-71.9-28.9177.800000112.4K145 F146K145-A222 PolarHBondContact O-N 3.47Å; F146-A222 HydrophobicContact CE1-CB 4.37Å
223G87.9Confident86.9Confident0 Ų040.5 Ų40.50%023%0.233CC..EExtended strand (participates in β ladder)trans-16416617600000110.8F146 G147 V221 K249F146-G223 WeakPolarHBondContact CA-O 3.23Å; G147-G223 PolarHBondContact N-O 3.27Å; V221-G223 VanDerWaalsContact C-N 3.3Å; G223-K249 CarbonylContact C-O 3.59Å; G223-K249 WeakPolarHBondContact CA-O 3.44Å
224M91.1Very high86.8Confident1 Ų142.5 Ų42.51%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-136.9141.2-173.1179.9177.566.900111.5G147 I149 L226 F242 L246 K249 I250 L251G147-M224 CarbonylContact O-C 3.54Å; G147-M224 VanDerWaalsContact O-CA 3.24Å; G147-M224 WeakPolarHBondContact O-CA 3.34Å; I149-M224 HydrophobicContact CD1-SD 3.59Å; I149-M224 VanDerWaalsContact CD1-SD 3.59Å; I149-M224 HydrophobicContact CG1-SD 4.09Å; M224-L226 HydrophobicContact CE-CD2 4.05Å; M224-L226 HydrophobicContact CG-CD2 4.41Å; M224-L226 HydrophobicContact SD-CD2 4.28Å; M224-F242 HydrophobicContact CE-CE1 3.42Å; M224-F242 VanDerWaalsContact CE-CE1 3.42Å; M224-F242 HydrophobicContact CE-CZ 3.28Å; M224-F242 HydrophobicContact SD-CZ 4.03Å; M224-L246 HydrophobicContact CE-CB 4.11Å; M224-L246 WeakPolarHBondContact CE-O 3.08Å; M224-K249 PolarHBondContact N-O 2.97Å; M224-I250 HydrophobicContact CE-CD1 4.28Å; M224-I250 HydrophobicContact CE-CG1 3.49Å; M224-I250 VanDerWaalsContact CE-CG1 3.49Å; M224-I250 WeakPolarHBondContact O-CA 3.34Å; M224-L251 PolarHBondContact O-N 3.04Å
225V93.6Very high86.7Confident0 Ų044.3 Ų44.30%025%0.253CS..EExtended strand (participates in β ladder)trans-112.9126.3175.3179.20000108.5G147 F148 I149 V254 S271 L275G147-V225 PolarHBondContact O-N 3.07Å; F148-V225 WeakPolarHBondContact CA-O 3.2Å; F148-V225 HydrophobicContact CD1-CB 3.89Å; F148-V225 HydrophobicContact CD1-CG1 4.24Å; F148-V225 HydrophobicContact CE1-CB 3.91Å; F148-V225 HydrophobicContact CE1-CG1 4.16Å; F148-V225 HydrophobicContact CE1-CG2 4.17Å; F148-V225 HydrophobicContact CZ-CG2 4.39Å; I149-V225 PolarHBondContact N-O 2.62Å; V225-V254 HydrophobicContact CG1-CB 4.36Å; V225-V254 HydrophobicContact CG1-CG2 3.61Å; V225-S271 WeakPolarHBondContact CG1-OG 3.44Å; V225-L275 HydrophobicContact CG2-CD2 4.21Å
226L94Very high86.7Confident0 Ų041.4 Ų41.40%023%0.233CC..EExtended strand (participates in β ladder)trans-96.6116.8170.3-56.6-178.7000108.1I149 M224 K233 L236 I250 K252 L253 V254I149-L226 HydrophobicContact CB-CD2 3.72Å; I149-L226 HydrophobicContact CD1-CD2 3.77Å; I149-L226 HydrophobicContact CG1-CD2 4.03Å; I149-L226 HydrophobicContact CG2-CD2 4.41Å; M224-L226 HydrophobicContact CE-CD2 4.05Å; M224-L226 HydrophobicContact CG-CD2 4.41Å; M224-L226 HydrophobicContact SD-CD2 4.28Å; L226-K233 HydrophobicContact CB-CB 4.4Å; L226-L236 HydrophobicContact CD1-CD2 4.3Å; L226-L236 HydrophobicContact CD2-CD2 4.11Å; L226-I250 HydrophobicContact CD1-CD1 3.7Å; L226-I250 HydrophobicContact CD1-CG1 4.26Å; L226-I250 HydrophobicContact CG-CD1 4.41Å; L226-I250 HydrophobicContact CG-CG1 4.44Å; L226-K252 PolarHBondContact N-O 3.21Å; L226-L253 HydrophobicContact CB-CD2 3.64Å; L226-L253 HydrophobicContact CD1-CD2 3.74Å; L226-L253 HydrophobicContact CG-CD2 4.06Å; L226-L253 CarbonylContact O-C 3.47Å; L226-L253 WeakPolarHBondContact O-CA 3.32Å; L226-V254 PolarHBondContact O-N 3.32Å
227A94.6Very high87.1Confident0 Ų034.7 Ų34.70%020%0.198CC..EExtended strand (participates in β ladder)trans-115.7142.9176.500000109.3I149 V150 I151 V254 I256 A267I149-A227 PolarHBondContact O-N 2.96Å; I149-A227 VanDerWaalsContact O-O 3.08Å; V150-A227 CarbonylContact C-O 3.57Å; V150-A227 VanDerWaalsContact CA-O 3.29Å; V150-A227 WeakPolarHBondContact CA-O 2.98Å; V150-A227 HydrophobicContact CG2-CB 4.33Å; I151-A227 PolarHBondContact N-O 2.91Å; A227-V254 WeakPolarHBondContact CA-O 3.41Å; A227-V254 HydrophobicContact CB-CB 4.18Å; A227-I256 HydrophobicContact CB-CD1 3.95Å; A227-I256 HydrophobicContact CB-CG1 4.46Å; A227-I256 HydrophobicContact CB-CG2 4.22Å; A227-A267 HydrophobicContact CB-CB 3.57Å
228G91.1Very high87.5Confident0 Ų035.8 Ų35.80%020%0.2CC..EExtended strand (participates in β ladder)trans-174.5166.8174.700000113.5I151 V254 I256I151-G228 WeakPolarHBondContact O-CA 3.3Å; G228-V254 PolarHBondContact N-O 3.03Å; G228-I256 PolarHBondContact O-N 3.14Å
229S80.3Confident87.6Confident31 Ų3132 Ų3222%0.21719%0.185CC..SBendtrans-87.3132.8169.764.40000109I151 D152I151-S229 PolarHBondContact O-N 3.31Å; D152-S229 PolarHBondContact OD1-OG 3.08Å
230A78.1Confident87.5Confident66 Ų6638.5 Ų38.555%0.54522%0.219SC..THydrogen-bonded Turntrans61.7-162.2179.800000115.3F232A230-F232 PolarHBondContact O-N 2.83Å; A230-F232 VanDerWaalsContact O-N 3.13Å
231D85.7Confident87.6Confident125 Ų12538.4 Ų38.467%0.66822%0.217SC*.THydrogen-bonded Turntrans-72.3-2.6-169.2-62.5-35.3000115K233 T234 E235D231-K233 VanDerWaalsContact C-N 3.29Å; D231-K233 PolarHBondContact O-N 3.11Å; D231-T234 WeakPolarHBondContact O-CB 3.33Å; D231-T234 PolarHBondContact O-N 3.24Å; D231-E235 PolarHBondContact O-N 2.96Å
232F86.8Confident87.8Confident26 Ų2638.2 Ų38.211%0.11422%0.216CC..Hα-helixtrans-59.7-37.5-175.4-78.9-63.4000113.6I151 L176 R198 Y201 V202 A230 T234 L236I151-F232 HydrophobicContact CG2-CB 3.93Å; I151-F232 HydrophobicContact CG2-CG 4.46Å; L176-F232 HydrophobicContact CD1-CE1 4.44Å; L176-F232 HydrophobicContact CD1-CZ 3.82Å; R198-F232 HydrophobicContact CB-CE1 4.1Å; R198-F232 VanDerWaalsContact CD-CE1 3.44Å; R198-F232 VanDerWaalsContact CD-CZ 3.48Å; R198-F232 HydrophobicContact CG-CE1 3.63Å; R198-F232 HydrophobicContact CG-CZ 3.82Å; Y201-F232 HydrophobicContact CD1-CE1 4.44Å; V202-F232 HydrophobicContact CG2-CD1 4.49Å; A230-F232 PolarHBondContact O-N 2.83Å; A230-F232 VanDerWaalsContact O-N 3.13Å; F232-T234 VanDerWaalsContact C-N 3.34Å; F232-L236 WeakPolarHBondContact O-CB 3.49Å; F232-L236 PolarHBondContact O-N 3.21Å
233K88.4Confident88Confident5 Ų538.3 Ų38.32%0.02221%0.212CC..Hα-helixtrans-70.1-33.3177.370.8-168.6-172.9-173.90112.1L226 D231 S237 L253 V254 D255L226-K233 HydrophobicContact CB-CB 4.4Å; D231-K233 VanDerWaalsContact C-N 3.29Å; D231-K233 PolarHBondContact O-N 3.11Å; K233-S237 WeakPolarHBondContact O-CB 3.38Å; K233-S237 PolarHBondContact O-N 3.48Å; K233-L253 HydrophobicContact CD-CB 4.38Å; K233-V254 WeakPolarHBondContact CD-O 3.45Å; K233-V254 PolarHBondContact NZ-O 3.2Å; K233-D255 IonicContact NZ-OD1 2.59Å; K233-D255 PolarHBondContact NZ-OD1 3.26Å; K233-D255 IonicContact NZ-OD2 2.81Å; K233-D255 PolarHBondContact NZ-OD2 3.4Å
234T88.9Confident88Confident42 Ų4242.1 Ų42.126%0.25824%0.237SC..Hα-helixtrans-71.9-43.5177.3-49.40000109.5D231 F232 L236 S237 Q238D231-T234 WeakPolarHBondContact O-CB 3.33Å; D231-T234 PolarHBondContact O-N 3.24Å; F232-T234 VanDerWaalsContact C-N 3.34Å; T234-L236 PolarHBondContact O-N 3.38Å; T234-S237 PolarHBondContact O-N 3.2Å; T234-Q238 HydrophobicContact CG2-CG 4.44Å; T234-Q238 WeakPolarHBondContact O-CB 3.11Å; T234-Q238 WeakPolarHBondContact O-CG 3.25Å; T234-Q238 PolarHBondContact O-N 3.26Å
235E87.7Confident87.9Confident58 Ų5847.3 Ų47.327%0.27126%0.256SS..Hα-helixtrans-60.3-44174-168.8176.418000111D231 S239D231-E235 PolarHBondContact O-N 2.96Å; E235-S239 WeakPolarHBondContact O-CB 3.36Å; E235-S239 PolarHBondContact O-N 2.81Å; E235-S239 PolarHBondContact O-OG 3.26Å
236L88.9Confident87.6Confident1 Ų147.4 Ų47.41%0.00526%0.257CS..Hα-helixtrans-61.6-48.2175.1-175.970.8000111.7I151 V202 V205 A206 L226 F232 T234 Q238 S239 F242I151-L236 HydrophobicContact CD1-CB 4.11Å; I151-L236 HydrophobicContact CD1-CD2 3.5Å; I151-L236 VanDerWaalsContact CD1-CD2 3.5Å; I151-L236 HydrophobicContact CD1-CG 4.37Å; V202-L236 HydrophobicContact CG1-CB 4.33Å; V202-L236 HydrophobicContact CG1-CD1 3.67Å; V205-L236 HydrophobicContact CG1-CD1 4.46Å; V205-L236 HydrophobicContact CG1-CD2 4.05Å; A206-L236 HydrophobicContact CB-CD1 4.01Å; L226-L236 HydrophobicContact CD1-CD2 4.3Å; L226-L236 HydrophobicContact CD2-CD2 4.11Å; F232-L236 WeakPolarHBondContact O-CB 3.49Å; F232-L236 PolarHBondContact O-N 3.21Å; T234-L236 PolarHBondContact O-N 3.38Å; L236-Q238 VanDerWaalsContact C-N 3.34Å; L236-Q238 PolarHBondContact O-N 2.89Å; L236-S239 PolarHBondContact O-N 2.9Å; L236-S239 PolarHBondContact O-OG 3.36Å; L236-F242 HydrophobicContact CD1-CB 4.47Å; L236-F242 HydrophobicContact CD1-CD2 3.84Å; L236-F242 HydrophobicContact CD1-CG 4.42Å; L236-F242 HydrophobicContact CD2-CD2 4.25Å; L236-F242 HydrophobicContact CD2-CE2 4.22Å; L236-F242 HydrophobicContact CG-CD2 4Å; L236-F242 HydrophobicContact CG-CE2 4.46Å; L236-F242 HydrophobicContact CG-CG 4.37Å; L236-F242 WeakPolarHBondContact O-CB 3.45Å
237S88.6Confident87.4Confident23 Ų2351.2 Ų51.216%0.16127%0.274CS..Hα-helixtrans-65-35-177.1-171.40000113.4K233 T234 Q247K233-S237 WeakPolarHBondContact O-CB 3.38Å; K233-S237 PolarHBondContact O-N 3.48Å; T234-S237 PolarHBondContact O-N 3.2Å; S237-Q247 PolarHBondContact O-NE2 3.43Å
238Q87.1Confident86.9Confident147 Ų14753.7 Ų53.769%0.68730%0.295SS*.Hα-helixtrans-88-18.5179.7-68.6177.6-6.900113.1T234 L236T234-Q238 HydrophobicContact CG2-CG 4.44Å; T234-Q238 WeakPolarHBondContact O-CB 3.11Å; T234-Q238 WeakPolarHBondContact O-CG 3.25Å; T234-Q238 PolarHBondContact O-N 3.26Å; L236-Q238 VanDerWaalsContact C-N 3.34Å; L236-Q238 PolarHBondContact O-N 2.89Å
239S83.4Confident86.7Confident17 Ų1756.6 Ų56.612%0.11931%0.308CS..SBendtrans-73.8139.3-177.269.10000112.6E235 L236 M241 F242E235-S239 WeakPolarHBondContact O-CB 3.36Å; E235-S239 PolarHBondContact O-N 2.81Å; E235-S239 PolarHBondContact O-OG 3.26Å; L236-S239 PolarHBondContact O-N 2.9Å; L236-S239 PolarHBondContact O-OG 3.36Å; S239-M241 PolarHBondContact O-N 3.29Å; S239-M241 VanDerWaalsContact O-N 3.08Å; S239-F242 PolarHBondContact O-N 3Å
240D84.9Confident87.2Confident168 Ų16856.9 Ų56.990%0.89831%0.306SS*.THydrogen-bonded Turntrans-66.1-6.8171.1-54.9-40000113.3F242D240-F242 VanDerWaalsContact C-N 3.29Å
241M87.7Confident87.7Confident58 Ų5856 Ų5629%0.28629%0.292SS..THydrogen-bonded Turntrans-75.9-21.2176.7-64.6-177.6-72.900112.4H199 V202 R203 A206 S239H199-M241 VanDerWaalsContact CE1-CE 3.47Å; H199-M241 WeakPolarHBondContact CE1-CE 3.26Å; H199-M241 PolarHBondContact CE1-SD 2.95Å; V202-M241 HydrophobicContact CB-CE 4.03Å; V202-M241 HydrophobicContact CG1-CE 3.57Å; R203-M241 HydrophobicContact CB-SD 3.89Å; R203-M241 HydrophobicContact CG-SD 4.37Å; A206-M241 WeakPolarHBondContact CB-O 3.13Å; S239-M241 PolarHBondContact O-N 3.29Å; S239-M241 VanDerWaalsContact O-N 3.08Å
242F90.4Very high87.9Confident2 Ų253.7 Ų53.71%0.00928%0.276CS..SBendtrans-82.3136.4179.4-161.5-118.2000110.1I149 A206 A209 M224 L236 S239 D240 P244 L246 Q247 I250I149-F242 HydrophobicContact CD1-CE2 4.27Å; I149-F242 HydrophobicContact CD1-CZ 4.28Å; A206-F242 HydrophobicContact CB-CD2 4.06Å; A209-F242 HydrophobicContact CB-CE2 3.94Å; M224-F242 HydrophobicContact CE-CE1 3.42Å; M224-F242 VanDerWaalsContact CE-CE1 3.42Å; M224-F242 HydrophobicContact CE-CZ 3.28Å; M224-F242 HydrophobicContact SD-CZ 4.03Å; L236-F242 HydrophobicContact CD1-CB 4.47Å; L236-F242 HydrophobicContact CD1-CD2 3.84Å; L236-F242 HydrophobicContact CD1-CG 4.42Å; L236-F242 HydrophobicContact CD2-CD2 4.25Å; L236-F242 HydrophobicContact CD2-CE2 4.22Å; L236-F242 HydrophobicContact CG-CD2 4Å; L236-F242 HydrophobicContact CG-CE2 4.46Å; L236-F242 HydrophobicContact CG-CG 4.37Å; L236-F242 WeakPolarHBondContact O-CB 3.45Å; S239-F242 PolarHBondContact O-N 3Å; D240-F242 VanDerWaalsContact C-N 3.29Å; F242-P244 WeakPolarHBondContact O-CD 3.41Å; F242-L246 HydrophobicContact CD1-CB 4.37Å; F242-L246 HydrophobicContact CE1-CB 3.52Å; F242-L246 HydrophobicContact CE2-CB 4.48Å; F242-L246 HydrophobicContact CE2-CD1 4.26Å; F242-L246 HydrophobicContact CZ-CB 3.58Å; F242-L246 HydrophobicContact CZ-CD1 4Å; F242-L246 HydrophobicContact CZ-CG 4.45Å; F242-Q247 HydrophobicContact CD1-CB 3.96Å; F242-Q247 HydrophobicContact CD1-CG 4.41Å; F242-Q247 HydrophobicContact CE1-CB 4.44Å; F242-I250 HydrophobicContact CD1-CD1 4.33Å; F242-I250 HydrophobicContact CE1-CD1 4.02Å; F242-I250 HydrophobicContact CE1-CG1 4.41Å
243D88.5Confident88.1Confident35 Ų3555.4 Ų55.419%0.18729%0.286CS..  trans-61.9125.9-176.3-171.5-49.1000110.3V210 R245 L246 Q247V210-D243 HydrophobicContact CG2-CB 3.59Å; D243-R245 PolarHBondContact O-N 3.18Å; D243-R245 VanDerWaalsContact O-N 3.09Å; D243-R245 VanDerWaalsContact OD1-CB 3.23Å; D243-R245 WeakPolarHBondContact OD1-CB 3.42Å; D243-R245 WeakPolarHBondContact OD1-CG 3.37Å; D243-R245 PolarHBondContact OD1-N 3.39Å; D243-L246 HydrophobicContact CB-CB 4.43Å; D243-L246 HydrophobicContact CB-CD1 4.29Å; D243-L246 HydrophobicContact CB-CG 4.31Å; D243-L246 PolarHBondContact O-N 3.41Å; D243-Q247 PolarHBondContact O-N 3.29Å
244P88.2Confident88.3Confident80 Ų8055.4 Ų55.452%0.51929%0.287SS..Hα-helixtrans-55-30.7-179.3-27.334.6000113.8F242 Q247 A248F242-P244 WeakPolarHBondContact O-CD 3.41Å; P244-Q247 PolarHBondContact O-N 3.14Å; P244-A248 PolarHBondContact O-N 3.23Å; P244-A248 VanDerWaalsContact O-N 3.1Å
245R88.5Confident88.5Confident110 Ų11058.6 Ų58.642%0.41530%0.302SS..Hα-helixtrans-66.4-40.8178-60176.3179.51716.2111.2D217 V219 D243D217-R245 PolarHBondContact O-NH1 3.37Å; D217-R245 IonicContact OD1-CZ 3.41Å; D217-R245 IonicContact OD1-NH1 3.03Å; D217-R245 PolarHBondContact OD1-NH1 3Å; D217-R245 IonicContact OD1-NH2 3.7Å; V219-R245 HydrophobicContact CG2-CB 4.06Å; D243-R245 PolarHBondContact O-N 3.18Å; D243-R245 VanDerWaalsContact O-N 3.09Å; D243-R245 VanDerWaalsContact OD1-CB 3.23Å; D243-R245 WeakPolarHBondContact OD1-CB 3.42Å; D243-R245 WeakPolarHBondContact OD1-CG 3.37Å; D243-R245 PolarHBondContact OD1-N 3.39Å
246L88.4Confident88.7Confident1 Ų156.2 Ų56.21%0.00529%0.291CS..Hα-helixtrans-75.3-37.4176.9-67.4179.9000111.1A209 V210 F213 V214 V219 M224 F242 D243 A248 K249 I250A209-L246 HydrophobicContact CB-CD1 4.18Å; V210-L246 HydrophobicContact CG2-CD1 4.15Å; F213-L246 HydrophobicContact CB-CD2 3.83Å; V214-L246 HydrophobicContact CG2-CD1 4.25Å; V214-L246 HydrophobicContact CG2-CD2 4.07Å; V214-L246 HydrophobicContact CG2-CG 4.12Å; V219-L246 HydrophobicContact CB-CD2 4.46Å; V219-L246 HydrophobicContact CG1-CD2 3.71Å; V219-L246 HydrophobicContact CG2-CD2 3.93Å; M224-L246 HydrophobicContact CE-CB 4.11Å; M224-L246 WeakPolarHBondContact CE-O 3.08Å; F242-L246 HydrophobicContact CD1-CB 4.37Å; F242-L246 HydrophobicContact CE1-CB 3.52Å; F242-L246 HydrophobicContact CE2-CB 4.48Å; F242-L246 HydrophobicContact CE2-CD1 4.26Å; F242-L246 HydrophobicContact CZ-CB 3.58Å; F242-L246 HydrophobicContact CZ-CD1 4Å; F242-L246 HydrophobicContact CZ-CG 4.45Å; D243-L246 HydrophobicContact CB-CB 4.43Å; D243-L246 HydrophobicContact CB-CD1 4.29Å; D243-L246 HydrophobicContact CB-CG 4.31Å; D243-L246 PolarHBondContact O-N 3.41Å; L246-A248 VanDerWaalsContact C-N 3.32Å; L246-A248 PolarHBondContact O-N 2.93Å; L246-K249 CarbonylContact O-C 3.51Å; L246-K249 PolarHBondContact O-N 3.16Å; L246-I250 PolarHBondContact O-N 3.39Å
247Q88.9Confident88.7Confident80 Ų8060.4 Ų60.437%0.37432%0.32SS..Hα-helixtrans-58.8-43.1177.9-162.2-177.512.300111.8S237 F242 D243 P244 K249 I250S237-Q247 PolarHBondContact O-NE2 3.43Å; F242-Q247 HydrophobicContact CD1-CB 3.96Å; F242-Q247 HydrophobicContact CD1-CG 4.41Å; F242-Q247 HydrophobicContact CE1-CB 4.44Å; D243-Q247 PolarHBondContact O-N 3.29Å; P244-Q247 PolarHBondContact O-N 3.14Å; Q247-K249 PolarHBondContact O-N 2.72Å; Q247-K249 VanDerWaalsContact O-N 3.16Å; Q247-I250 HydrophobicContact CB-CD1 4.49Å; Q247-I250 HydrophobicContact CG-CD1 4.13Å; Q247-I250 WeakPolarHBondContact O-CG1 3.42Å; Q247-I250 PolarHBondContact O-N 2.96Å
248A85.3Confident88.6Confident52 Ų5266.9 Ų66.943%0.4334%0.343SS..THydrogen-bonded Turntrans-64.7-16.8177.100000114.2M1 P244 L246M1-A248 HydrophobicContact SD-CB 4.49Å; P244-A248 PolarHBondContact O-N 3.23Å; P244-A248 VanDerWaalsContact O-N 3.1Å; L246-A248 VanDerWaalsContact C-N 3.32Å; L246-A248 PolarHBondContact O-N 2.93Å
249K86.9Confident88.4Confident62 Ų6260.9 Ų60.927%0.2732%0.32SS..THydrogen-bonded Turntrans-1059.3179.6-64.3-64.3-176.5-176.30113D3 G223 M224 L246 Q247 L251D3-K249 IonicContact OD1-NZ 3.01Å; D3-K249 PolarHBondContact OD1-NZ 3.16Å; G223-K249 CarbonylContact C-O 3.59Å; G223-K249 WeakPolarHBondContact CA-O 3.44Å; M224-K249 PolarHBondContact N-O 2.97Å; L246-K249 CarbonylContact O-C 3.51Å; L246-K249 PolarHBondContact O-N 3.16Å; Q247-K249 PolarHBondContact O-N 2.72Å; Q247-K249 VanDerWaalsContact O-N 3.16Å; K249-L251 PolarHBondContact O-N 2.9Å
250I89.7Confident88.7Confident36 Ų3661.5 Ų61.519%0.18533%0.329CS..EExtended strand (participates in β ladder)trans-69.6122.3171.3-63.4168.3000109.1M224 L226 F242 L246 Q247 L253M224-I250 HydrophobicContact CE-CD1 4.28Å; M224-I250 HydrophobicContact CE-CG1 3.49Å; M224-I250 VanDerWaalsContact CE-CG1 3.49Å; M224-I250 WeakPolarHBondContact O-CA 3.34Å; L226-I250 HydrophobicContact CD1-CD1 3.7Å; L226-I250 HydrophobicContact CD1-CG1 4.26Å; L226-I250 HydrophobicContact CG-CD1 4.41Å; L226-I250 HydrophobicContact CG-CG1 4.44Å; F242-I250 HydrophobicContact CD1-CD1 4.33Å; F242-I250 HydrophobicContact CE1-CD1 4.02Å; F242-I250 HydrophobicContact CE1-CG1 4.41Å; L246-I250 PolarHBondContact O-N 3.39Å; Q247-I250 HydrophobicContact CB-CD1 4.49Å; Q247-I250 HydrophobicContact CG-CD1 4.13Å; Q247-I250 WeakPolarHBondContact O-CG1 3.42Å; Q247-I250 PolarHBondContact O-N 2.96Å; I250-L253 HydrophobicContact CG2-CD2 4.15Å
251L88.1Confident88.9Confident48 Ų4857.9 Ų57.925%0.25131%0.307SS..EExtended strand (participates in β ladder)trans-90.5-48.6178.1-66.7170.5000111.8F146 M224 K249 V274 L275 V278F146-L251 HydrophobicContact CD1-CD1 3.95Å; F146-L251 HydrophobicContact CE1-CD1 3.94Å; M224-L251 PolarHBondContact O-N 3.04Å; K249-L251 PolarHBondContact O-N 2.9Å; L251-V274 HydrophobicContact CB-CG1 4.23Å; L251-L275 HydrophobicContact CD1-CD2 3.81Å; L251-V278 HydrophobicContact CD1-CG2 3.69Å; L251-V278 HydrophobicContact CD2-CG2 4.14Å
252K89.8Confident89.1Confident76 Ų7660.8 Ų60.833%0.3332%0.323SS..EExtended strand (participates in β ladder)trans-152.6145-173.9-168.3178-173.71770111L226 V254 L270 V274L226-K252 PolarHBondContact N-O 3.21Å; K252-V254 HydrophobicContact CD-CG2 4.03Å; K252-V254 HydrophobicContact CG-CG2 4.08Å; K252-L270 PolarHBondContact NZ-O 3.41Å; K252-V274 HydrophobicContact CB-CG1 4.5Å; K252-V274 HydrophobicContact CD-CB 4.46Å; K252-V274 HydrophobicContact CD-CG2 3.78Å
253L92.4Very high89.1Confident62 Ų6260.7 Ų60.733%0.32532%0.323SS..EExtended strand (participates in β ladder)trans-95.8124164.9-55.5-178.1000108.4L226 K233 I250L226-L253 HydrophobicContact CB-CD2 3.64Å; L226-L253 HydrophobicContact CD1-CD2 3.74Å; L226-L253 HydrophobicContact CG-CD2 4.06Å; L226-L253 CarbonylContact O-C 3.47Å; L226-L253 WeakPolarHBondContact O-CA 3.32Å; K233-L253 HydrophobicContact CD-CB 4.38Å; I250-L253 HydrophobicContact CG2-CD2 4.15Å
254V92.9Very high89.3Confident6 Ų659.1 Ų59.14%0.03631%0.314CS..EExtended strand (participates in β ladder)trans-114.3129.6-175.9-178.70000110.3V225 L226 A227 G228 K233 K252 I256 L270 S271V225-V254 HydrophobicContact CG1-CB 4.36Å; V225-V254 HydrophobicContact CG1-CG2 3.61Å; L226-V254 PolarHBondContact O-N 3.32Å; A227-V254 WeakPolarHBondContact CA-O 3.41Å; A227-V254 HydrophobicContact CB-CB 4.18Å; G228-V254 PolarHBondContact N-O 3.03Å; K233-V254 WeakPolarHBondContact CD-O 3.45Å; K233-V254 PolarHBondContact NZ-O 3.2Å; K252-V254 HydrophobicContact CD-CG2 4.03Å; K252-V254 HydrophobicContact CG-CG2 4.08Å; V254-I256 HydrophobicContact CG1-CG2 4.01Å; V254-L270 HydrophobicContact CG1-CB 3.82Å; V254-L270 HydrophobicContact CG1-CD1 3.61Å; V254-L270 HydrophobicContact CG1-CG 4.39Å; V254-S271 WeakPolarHBondContact CG2-OG 3.29Å
255D92.4Very high89.5Confident108 Ų10857.9 Ų57.958%0.57830%0.303SS*.EExtended strand (participates in β ladder)trans-83.5124.1171.2-76.6-64.2000109.1K233K233-D255 IonicContact NZ-OD1 2.59Å; K233-D255 PolarHBondContact NZ-OD1 3.26Å; K233-D255 IonicContact NZ-OD2 2.81Å; K233-D255 PolarHBondContact NZ-OD2 3.4Å
256I92.5Very high89.6Confident9 Ų955.2 Ų55.25%0.04630%0.296CS..  trans-125.2147.4177.956.6175.5000110V150 A227 G228 V254 Y258 Q266 A267V150-I256 HydrophobicContact CG1-CD1 3.57Å; A227-I256 HydrophobicContact CB-CD1 3.95Å; A227-I256 HydrophobicContact CB-CG1 4.46Å; A227-I256 HydrophobicContact CB-CG2 4.22Å; G228-I256 PolarHBondContact O-N 3.14Å; V254-I256 HydrophobicContact CG1-CG2 4.01Å; I256-Y258 VanDerWaalsContact CD1-O 3.31Å; I256-Y258 WeakPolarHBondContact CD1-O 3.27Å; I256-Q266 HydrophobicContact CG2-CB 4.33Å; I256-Q266 HydrophobicContact CG2-CG 4.27Å; I256-A267 HydrophobicContact CG2-CB 4.18Å
257S88.1Confident89.8Confident88 Ų8855.2 Ų55.262%0.61530%0.295SS*.SBendtrans-84.8-27.8-177.3-54.70000112.5
258Y85.9Confident89.9Confident160 Ų16052.9 Ų52.963%0.62729%0.285SS*.SBendtrans-122.4144.3-176.4-55.9-74.1000110.3I256 G263I256-Y258 VanDerWaalsContact CD1-O 3.31Å; I256-Y258 WeakPolarHBondContact CD1-O 3.27Å; Y258-G263 WeakPolarHBondContact O-CA 3.36Å
259G84.4Confident90.2Very high20 Ų2057.8 Ų57.821%0.20630%0.299CS..  trans-84.8-178.5172.100000113.8G263G259-G263 PolarHBondContact O-N 3.1Å
260G88.3Confident90.4Very high30 Ų3058.7 Ų58.731%0.30931%0.307SS..Hα-helixtrans66-145.7172.900000114.2G263 F264G260-G263 PolarHBondContact O-N 3.23Å; G260-F264 PolarHBondContact O-N 3.1Å
261E89.9Confident90.3Very high93 Ų9357 Ų5744%0.43530%0.298SS..Hα-helixtrans-69.9-31.8-173.9-68.6173.9-15900113.1L157 K171 F264 N265L157-E261 HydrophobicContact CD1-CB 4.39Å; L157-E261 HydrophobicContact CD1-CG 3.57Å; K171-E261 IonicContact NZ-OE1 2.74Å; K171-E261 PolarHBondContact NZ-OE1 2.93Å; E261-F264 WeakPolarHBondContact O-CB 3.36Å; E261-F264 PolarHBondContact O-N 2.66Å; E261-N265 PolarHBondContact O-N 3.04Å; E261-N265 PolarHBondContact O-ND2 3.06Å
262N90.8Very high90.2Very high118 Ų11857.2 Ų57.263%0.63131%0.307SS*.Hα-helixtrans-69.8-42.6174.8-68.6-22.1000111F264 N265 Q266N262-F264 VanDerWaalsContact C-N 3.26Å; N262-F264 PolarHBondContact O-N 2.71Å; N262-N265 PolarHBondContact O-N 3.41Å; N262-Q266 PolarHBondContact O-N 3.15Å; N262-Q266 VanDerWaalsContact O-N 3.15Å
263G91Very high90Very high0 Ų060.2 Ų60.20%032%0.322CS..Hα-helixtrans-60-36.4171.800000113.2Y258 G259 G260 Q266 A267Y258-G263 WeakPolarHBondContact O-CA 3.36Å; G259-G263 PolarHBondContact O-N 3.1Å; G260-G263 PolarHBondContact O-N 3.23Å; G263-Q266 PolarHBondContact O-N 3.38Å; G263-A267 WeakPolarHBondContact O-CB 3.47Å; G263-A267 PolarHBondContact O-N 3.46Å
264F93.1Very high89.6Confident2 Ų258.5 Ų58.51%0.00931%0.314CS..Hα-helixtrans-62.1-43.5175.6-178.3-135.9000112.4F148 V150 L157 R166 V168 G260 E261 N262 A267 I268F148-F264 HydrophobicContact CB-CD2 3.87Å; F148-F264 HydrophobicContact CB-CE2 3.44Å; F148-F264 VanDerWaalsContact CB-CE2 3.44Å; F148-F264 HydrophobicContact CD1-CD2 4.27Å; F148-F264 HydrophobicContact CD1-CE2 4.08Å; F148-F264 AromaticContact CD2-CE2 3.85Å; F148-F264 HydrophobicContact CD2-CE2 3.85Å; F148-F264 HydrophobicContact CG-CD2 4.09Å; F148-F264 AromaticContact CG-CE2 3.54Å; F148-F264 HydrophobicContact CG-CE2 3.54Å; V150-F264 HydrophobicContact CG2-CB 4.03Å; V150-F264 HydrophobicContact CG2-CD2 4.17Å; L157-F264 HydrophobicContact CD2-CB 4.12Å; L157-F264 HydrophobicContact CD2-CD1 4.22Å; L157-F264 HydrophobicContact CD2-CD2 4.29Å; L157-F264 HydrophobicContact CD2-CG 3.96Å; R166-F264 HydrophobicContact CB-CE1 4.2Å; V168-F264 HydrophobicContact CG2-CD1 4.23Å; V168-F264 HydrophobicContact CG2-CE1 4.09Å; G260-F264 PolarHBondContact O-N 3.1Å; E261-F264 WeakPolarHBondContact O-CB 3.36Å; E261-F264 PolarHBondContact O-N 2.66Å; N262-F264 VanDerWaalsContact C-N 3.26Å; N262-F264 PolarHBondContact O-N 2.71Å; F264-A267 PolarHBondContact O-N 3.16Å; F264-I268 HydrophobicContact CD1-CD1 4.25Å; F264-I268 HydrophobicContact CD2-CD1 4.09Å; F264-I268 HydrophobicContact CD2-CG1 4.33Å; F264-I268 HydrophobicContact CE1-CD1 3.99Å; F264-I268 HydrophobicContact CE2-CD1 3.78Å; F264-I268 HydrophobicContact CE2-CG1 4.07Å; F264-I268 HydrophobicContact CG-CD1 4.31Å; F264-I268 HydrophobicContact CZ-CD1 3.75Å; F264-I268 HydrophobicContact CZ-CG1 4.49Å; F264-I268 VanDerWaalsContact O-CG1 3.31Å; F264-I268 WeakPolarHBondContact O-CG1 3.39Å; F264-I268 PolarHBondContact O-N 3.38Å
265N91.7Very high89.1Confident55 Ų5559 Ų5929%0.29432%0.316SS..Hα-helixtrans-65.3-42.9176.8-62.2-32.3000112.2R166 E261 N262 A267 I268 E269R166-N265 VanDerWaalsContact NH1-CG 3.28Å; R166-N265 PolarHBondContact NH1-ND2 3.18Å; R166-N265 PolarHBondContact NH1-OD1 2.95Å; E261-N265 PolarHBondContact O-N 3.04Å; E261-N265 PolarHBondContact O-ND2 3.06Å; N262-N265 PolarHBondContact O-N 3.41Å; N265-A267 VanDerWaalsContact C-N 3.3Å; N265-A267 PolarHBondContact O-N 2.83Å; N265-I268 PolarHBondContact O-N 2.86Å; N265-E269 PolarHBondContact O-N 3.01Å; N265-E269 VanDerWaalsContact O-N 3.08Å
266Q91.7Very high88.5Confident54 Ų5457.8 Ų57.825%0.25232%0.317SS..Hα-helixtrans-61.8-41.2176.1-170.4179.61900111.3I256 N262 G263 I268 E269 L270I256-Q266 HydrophobicContact CG2-CB 4.33Å; I256-Q266 HydrophobicContact CG2-CG 4.27Å; N262-Q266 PolarHBondContact O-N 3.15Å; N262-Q266 VanDerWaalsContact O-N 3.15Å; G263-Q266 PolarHBondContact O-N 3.38Å; Q266-I268 VanDerWaalsContact C-N 3.33Å; Q266-I268 PolarHBondContact O-N 2.64Å; Q266-E269 PolarHBondContact O-N 3.43Å; Q266-L270 HydrophobicContact CG-CD1 4.02Å; Q266-L270 WeakPolarHBondContact O-CB 3.45Å; Q266-L270 WeakPolarHBondContact O-CG 3.42Å; Q266-L270 PolarHBondContact O-N 3.15Å
267A92.4Very high87.9Confident0 Ų060.2 Ų60.20%033%0.33CS..Hα-helixtrans-63.3-39.3176.700000112.1F148 A227 I256 G263 F264 N265 S271F148-A267 HydrophobicContact CD1-CB 4.14Å; F148-A267 HydrophobicContact CE1-CB 4.18Å; A227-A267 HydrophobicContact CB-CB 3.57Å; I256-A267 HydrophobicContact CG2-CB 4.18Å; G263-A267 WeakPolarHBondContact O-CB 3.47Å; G263-A267 PolarHBondContact O-N 3.46Å; F264-A267 PolarHBondContact O-N 3.16Å; N265-A267 VanDerWaalsContact C-N 3.3Å; N265-A267 PolarHBondContact O-N 2.83Å; A267-S271 WeakPolarHBondContact O-CB 3.48Å; A267-S271 PolarHBondContact O-N 3.13Å; A267-S271 VanDerWaalsContact O-N 3.08Å; A267-S271 PolarHBondContact O-OG 3.23Å
268I91.4Very high87.4Confident32 Ų3256.4 Ų56.416%0.16430%0.302CS..Hα-helixtrans-61.7-48.3175.9-70162000110.4F148 L161 R166 F264 N265 Q266 S271 A272F148-I268 HydrophobicContact CE1-CG1 3.93Å; F148-I268 HydrophobicContact CE2-CG1 4.24Å; F148-I268 HydrophobicContact CZ-CB 4.43Å; F148-I268 HydrophobicContact CZ-CG1 3.74Å; L161-I268 HydrophobicContact CD1-CD1 4.08Å; L161-I268 HydrophobicContact CD1-CG1 4.38Å; L161-I268 HydrophobicContact CD1-CG2 4.22Å; L161-I268 HydrophobicContact CD2-CG1 4.33Å; L161-I268 HydrophobicContact CD2-CG2 3.8Å; R166-I268 HydrophobicContact CB-CD1 4.47Å; F264-I268 HydrophobicContact CD1-CD1 4.25Å; F264-I268 HydrophobicContact CD2-CD1 4.09Å; F264-I268 HydrophobicContact CD2-CG1 4.33Å; F264-I268 HydrophobicContact CE1-CD1 3.99Å; F264-I268 HydrophobicContact CE2-CD1 3.78Å; F264-I268 HydrophobicContact CE2-CG1 4.07Å; F264-I268 HydrophobicContact CG-CD1 4.31Å; F264-I268 HydrophobicContact CZ-CD1 3.75Å; F264-I268 HydrophobicContact CZ-CG1 4.49Å; F264-I268 VanDerWaalsContact O-CG1 3.31Å; F264-I268 WeakPolarHBondContact O-CG1 3.39Å; F264-I268 PolarHBondContact O-N 3.38Å; N265-I268 PolarHBondContact O-N 2.86Å; Q266-I268 VanDerWaalsContact C-N 3.33Å; Q266-I268 PolarHBondContact O-N 2.64Å; I268-S271 PolarHBondContact O-N 3.32Å; I268-A272 PolarHBondContact O-N 3.18Å
269E90.3Very high86.9Confident155 Ų15553.4 Ų53.472%0.72429%0.293SS*.Hα-helixtrans-62.1-46.8-179-170.7174.7-172.300112N265 Q266 S271 A272N265-E269 PolarHBondContact O-N 3.01Å; N265-E269 VanDerWaalsContact O-N 3.08Å; Q266-E269 PolarHBondContact O-N 3.43Å; E269-S271 PolarHBondContact O-N 2.95Å; E269-A272 WeakPolarHBondContact O-CB 3.37Å; E269-A272 PolarHBondContact O-N 2.64Å
270L90.8Very high86.7Confident81 Ų8155.9 Ų55.942%0.42430%0.298SS..Hα-helixtrans-69.8-16.9178.5-68.5174000114.2K252 V254 Q266K252-L270 PolarHBondContact NZ-O 3.41Å; V254-L270 HydrophobicContact CG1-CB 3.82Å; V254-L270 HydrophobicContact CG1-CD1 3.61Å; V254-L270 HydrophobicContact CG1-CG 4.39Å; Q266-L270 HydrophobicContact CG-CD1 4.02Å; Q266-L270 WeakPolarHBondContact O-CB 3.45Å; Q266-L270 WeakPolarHBondContact O-CG 3.42Å; Q266-L270 PolarHBondContact O-N 3.15Å
271S89.1Confident86.3Confident0 Ų058 Ų580%030%0.301CS..Hα-helixtrans-101-10.9179.8-54.30000113.1V225 V254 A267 I268 E269 E273 V274 L275V225-S271 WeakPolarHBondContact CG1-OG 3.44Å; V254-S271 WeakPolarHBondContact CG2-OG 3.29Å; A267-S271 WeakPolarHBondContact O-CB 3.48Å; A267-S271 PolarHBondContact O-N 3.13Å; A267-S271 VanDerWaalsContact O-N 3.08Å; A267-S271 PolarHBondContact O-OG 3.23Å; I268-S271 PolarHBondContact O-N 3.32Å; E269-S271 PolarHBondContact O-N 2.95Å; S271-E273 VanDerWaalsContact C-N 3.25Å; S271-E273 PolarHBondContact O-N 3.35Å; S271-E273 VanDerWaalsContact O-N 3.16Å; S271-V274 PolarHBondContact O-N 3.48Å; S271-L275 VanDerWaalsContact O-CG 3.29Å; S271-L275 WeakPolarHBondContact O-CG 3.33Å; S271-L275 PolarHBondContact O-N 3.21Å
272A85.8Confident85.9Confident53 Ų5357.1 Ų57.144%0.43830%0.297SS..Hα-helixtrans-52-43.4-173.200000112.9I268 E269 L275 S276I268-A272 PolarHBondContact O-N 3.18Å; E269-A272 WeakPolarHBondContact O-CB 3.37Å; E269-A272 PolarHBondContact O-N 2.64Å; A272-L275 PolarHBondContact O-N 3.39Å; A272-S276 PolarHBondContact O-N 2.79Å; A272-S276 PolarHBondContact O-OG 2.9Å
273E85.5Confident85.6Confident138 Ų13852.3 Ų52.365%0.64527%0.271SS*.Hα-helixtrans-64.5-39.1177.4-174.8-175.2-172.900113S271 S276 N277S271-E273 VanDerWaalsContact C-N 3.25Å; S271-E273 PolarHBondContact O-N 3.35Å; S271-E273 VanDerWaalsContact O-N 3.16Å; E273-S276 PolarHBondContact O-OG 2.85Å; E273-N277 WeakPolarHBondContact O-CB 3.36Å; E273-N277 VanDerWaalsContact O-CG 3.24Å; E273-N277 PolarHBondContact O-N 3.06Å; E273-N277 PolarHBondContact O-ND2 3.34Å
274V84.5Confident85.3Confident26 Ų2657.3 Ų57.316%0.15829%0.293CS..Hα-helixtrans-75.3-35179.9177.60000110.7L251 K252 S271 N277 V278 I281L251-V274 HydrophobicContact CB-CG1 4.23Å; K252-V274 HydrophobicContact CB-CG1 4.5Å; K252-V274 HydrophobicContact CD-CB 4.46Å; K252-V274 HydrophobicContact CD-CG2 3.78Å; S271-V274 PolarHBondContact O-N 3.48Å; V274-N277 CarbonylContact O-C 3.6Å; V274-N277 PolarHBondContact O-N 3.08Å; V274-V278 WeakPolarHBondContact O-CG2 3.47Å; V274-V278 PolarHBondContact O-N 3.32Å; V274-I281 HydrophobicContact CG1-CD1 3.92Å
275L81.5Confident85Confident17 Ų1763.9 Ų63.99%0.08932%0.321CS..Hα-helixtrans-69.1-39.6179.3-65.1-179.7000112.6F146 F148 L161 V225 L251 S271 A272 N277 V278F146-L275 HydrophobicContact CB-CD2 4.04Å; F146-L275 HydrophobicContact CD1-CD2 3.53Å; F146-L275 HydrophobicContact CD2-CB 4.4Å; F146-L275 HydrophobicContact CD2-CD1 4.34Å; F146-L275 HydrophobicContact CD2-CD2 3.85Å; F146-L275 HydrophobicContact CD2-CG 4.42Å; F146-L275 HydrophobicContact CE1-CD2 3.86Å; F146-L275 HydrophobicContact CE2-CB 4.17Å; F146-L275 HydrophobicContact CE2-CD2 4.15Å; F146-L275 HydrophobicContact CG-CD2 3.53Å; F146-L275 HydrophobicContact CZ-CB 4.46Å; F146-L275 HydrophobicContact CZ-CD2 4.15Å; F148-L275 HydrophobicContact CE2-CD1 4.22Å; F148-L275 HydrophobicContact CZ-CD1 3.79Å; L161-L275 HydrophobicContact CD2-CD1 3.79Å; V225-L275 HydrophobicContact CG2-CD2 4.21Å; L251-L275 HydrophobicContact CD1-CD2 3.81Å; S271-L275 VanDerWaalsContact O-CG 3.29Å; S271-L275 WeakPolarHBondContact O-CG 3.33Å; S271-L275 PolarHBondContact O-N 3.21Å; A272-L275 PolarHBondContact O-N 3.39Å; L275-N277 PolarHBondContact O-N 3.32Å; L275-V278 WeakPolarHBondContact O-CG2 3.45Å; L275-V278 PolarHBondContact O-N 3.41Å
276S79.2Confident84.9Confident83 Ų8362.5 Ų62.558%0.5831%0.314SS*.Hα-helixtrans-64.7-31.4172.959.30000111.9A272 E273A272-S276 PolarHBondContact O-N 2.79Å; A272-S276 PolarHBondContact O-OG 2.9Å; E273-S276 PolarHBondContact O-OG 2.85Å
277N79.9Confident84.9Confident60 Ų6060 Ų6032%0.32130%0.302SS..THydrogen-bonded Turntrans-90.37.5-176.8-69-26.9000114.9E273 V274 L275 K279 F280 I281E273-N277 WeakPolarHBondContact O-CB 3.36Å; E273-N277 VanDerWaalsContact O-CG 3.24Å; E273-N277 PolarHBondContact O-N 3.06Å; E273-N277 PolarHBondContact O-ND2 3.34Å; V274-N277 CarbonylContact O-C 3.6Å; V274-N277 PolarHBondContact O-N 3.08Å; L275-N277 PolarHBondContact O-N 3.32Å; N277-K279 VanDerWaalsContact C-N 3.26Å; N277-K279 PolarHBondContact O-N 3.04Å; N277-F280 HydrophobicContact CB-CD2 4.27Å; N277-F280 WeakPolarHBondContact O-CB 3.36Å; N277-F280 PolarHBondContact O-N 2.92Å; N277-I281 WeakPolarHBondContact O-CG1 3.23Å; N277-I281 PolarHBondContact O-N 3.05Å
278V77.4Confident84.8Confident7 Ų761 Ų614%0.04231%0.312CS..Hα-helixtrans-57.1-38.4-177.81700000112.7F146 L251 V274 L275 F280 I281 Q282F146-V278 HydrophobicContact CE1-CB 4.2Å; F146-V278 HydrophobicContact CE1-CG1 4.2Å; F146-V278 HydrophobicContact CE1-CG2 3.44Å; F146-V278 VanDerWaalsContact CE1-CG2 3.44Å; F146-V278 HydrophobicContact CZ-CB 4.11Å; F146-V278 HydrophobicContact CZ-CG1 4.42Å; F146-V278 HydrophobicContact CZ-CG2 3.58Å; L251-V278 HydrophobicContact CD1-CG2 3.69Å; L251-V278 HydrophobicContact CD2-CG2 4.14Å; V274-V278 WeakPolarHBondContact O-CG2 3.47Å; V274-V278 PolarHBondContact O-N 3.32Å; L275-V278 WeakPolarHBondContact O-CG2 3.45Å; L275-V278 PolarHBondContact O-N 3.41Å; V278-F280 VanDerWaalsContact C-N 3.34Å; V278-F280 PolarHBondContact O-N 2.93Å; V278-I281 PolarHBondContact O-N 3.16Å; V278-Q282 HydrophobicContact CG1-CG 4.44Å; V278-Q282 WeakPolarHBondContact O-CG 3.36Å; V278-Q282 PolarHBondContact O-N 3.42Å
279K77Confident84.7Confident97 Ų9763.8 Ų63.842%0.42232%0.321SS..Hα-helixtrans-61.4-43.5176.3-67.6-173.1178.3-176.90111.5N277 I281 Q282 E283N277-K279 VanDerWaalsContact C-N 3.26Å; N277-K279 PolarHBondContact O-N 3.04Å; K279-I281 VanDerWaalsContact C-N 3.33Å; K279-I281 PolarHBondContact O-N 2.82Å; K279-Q282 PolarHBondContact O-N 3.05Å; K279-E283 VanDerWaalsContact O-CB 3.32Å; K279-E283 WeakPolarHBondContact O-CB 3.37Å; K279-E283 PolarHBondContact O-N 2.81Å
280F79.5Confident84.8Confident72 Ų7256.4 Ų56.432%0.31629%0.286SS..Hα-helixtrans-66.4-34.4176.4-62.3-63.4000112.7N277 V278 K284 K404N277-F280 HydrophobicContact CB-CD2 4.27Å; N277-F280 WeakPolarHBondContact O-CB 3.36Å; N277-F280 PolarHBondContact O-N 2.92Å; V278-F280 VanDerWaalsContact C-N 3.34Å; V278-F280 PolarHBondContact O-N 2.93Å; F280-K284 VanDerWaalsContact O-CB 3.26Å; F280-K284 WeakPolarHBondContact O-CB 3.44Å; F280-K284 PolarHBondContact O-N 3.23Å; F280-K404 HydrophobicContact CD1-CB 4.47Å; F280-K404 HydrophobicContact CE1-CB 3.85Å; F280-K404 HydrophobicContact CE1-CD 3.76Å; F280-K404 HydrophobicContact CE1-CG 4.38Å; F280-K404 HydrophobicContact CZ-CD 3.81Å
281I80.9Confident84.8Confident74 Ų7454.2 Ų54.238%0.37927%0.273SS..Hα-helixtrans-68.8-42.5176.6-65168.2000110.8V274 N277 V278 K279 K285V274-I281 HydrophobicContact CG1-CD1 3.92Å; N277-I281 WeakPolarHBondContact O-CG1 3.23Å; N277-I281 PolarHBondContact O-N 3.05Å; V278-I281 PolarHBondContact O-N 3.16Å; K279-I281 VanDerWaalsContact C-N 3.33Å; K279-I281 PolarHBondContact O-N 2.82Å; I281-K285 WeakPolarHBondContact O-CB 3.4Å; I281-K285 PolarHBondContact O-N 3.12Å
282Q80.8Confident85Confident76 Ų7658.3 Ų58.336%0.35530%0.295SS..Hα-helixtrans-62.8-46.3175.2-72.4175.9-0.200111V278 K279 K285 L286V278-Q282 HydrophobicContact CG1-CG 4.44Å; V278-Q282 WeakPolarHBondContact O-CG 3.36Å; V278-Q282 PolarHBondContact O-N 3.42Å; K279-Q282 PolarHBondContact O-N 3.05Å; Q282-K285 PolarHBondContact O-N 3.49Å; Q282-L286 WeakPolarHBondContact O-CB 3.45Å; Q282-L286 PolarHBondContact O-N 3.12Å
283E83.7Confident85.2Confident17 Ų1757.2 Ų57.28%0.07928%0.281CS..Hα-helixtrans-58.2-49.4176.2-174.6-177.7154.800111.9K279 K285 L286 I287 V401 T402K279-E283 VanDerWaalsContact O-CB 3.32Å; K279-E283 WeakPolarHBondContact O-CB 3.37Å; K279-E283 PolarHBondContact O-N 2.81Å; E283-K285 VanDerWaalsContact C-N 3.3Å; E283-K285 PolarHBondContact O-N 2.97Å; E283-L286 WeakPolarHBondContact O-CB 3.34Å; E283-L286 PolarHBondContact O-N 3.33Å; E283-L286 VanDerWaalsContact O-N 3.17Å; E283-I287 HydrophobicContact CG-CD1 4.06Å; E283-I287 WeakPolarHBondContact O-CG1 3.24Å; E283-I287 PolarHBondContact O-N 3.46Å; E283-V401 HydrophobicContact CG-CB 4.05Å; E283-V401 HydrophobicContact CG-CG1 3.98Å; E283-T402 WeakPolarHBondContact OE1-CA 3.47Å; E283-T402 PolarHBondContact OE1-N 2.94Å; E283-T402 PolarHBondContact OE1-OG1 3.31Å; E283-T402 VanDerWaalsContact OE1-OG1 3.04Å; E283-T402 PolarHBondContact OE2-OG1 2.67Å; E283-T402 VanDerWaalsContact OE2-OG1 3.11Å
284K85.8Confident85.3Confident104 Ų10452.3 Ų52.345%0.45226%0.259SS..Hα-helixtrans-59.5-39.9176.1174.1167.8171.5136.10112.3F280 G288 E407F280-K284 VanDerWaalsContact O-CB 3.26Å; F280-K284 WeakPolarHBondContact O-CB 3.44Å; F280-K284 PolarHBondContact O-N 3.23Å; K284-G288 PolarHBondContact O-N 3.34Å; K284-E407 WeakPolarHBondContact CD-OE1 3.5Å; K284-E407 WeakPolarHBondContact CE-OE1 3.48Å; K284-E407 HydrophobicContact CG-CG 4.27Å; K284-E407 IonicContact NZ-OE1 3.24Å; K284-E407 PolarHBondContact NZ-OE1 2.98Å; K284-E407 IonicContact NZ-OE2 2.71Å
285K87.3Confident85.6Confident141 Ų14155.6 Ų55.661%0.61328%0.283SS*.Hα-helixtrans-67.7-39177.1-172178.7-179-178.60111.8I281 Q282 E283 R289I281-K285 WeakPolarHBondContact O-CB 3.4Å; I281-K285 PolarHBondContact O-N 3.12Å; Q282-K285 PolarHBondContact O-N 3.49Å; E283-K285 VanDerWaalsContact C-N 3.3Å; E283-K285 PolarHBondContact O-N 2.97Å; K285-R289 PolarHBondContact O-N 3.47Å
286L89.2Confident86Confident26 Ų2661.1 Ų61.114%0.13631%0.308CS..Hα-helixtrans-65-50.4177.6179.766.2000111.3Q282 E283 G288 R289 Y290 I319 I321 E399 V401Q282-L286 WeakPolarHBondContact O-CB 3.45Å; Q282-L286 PolarHBondContact O-N 3.12Å; E283-L286 WeakPolarHBondContact O-CB 3.34Å; E283-L286 PolarHBondContact O-N 3.33Å; E283-L286 VanDerWaalsContact O-N 3.17Å; L286-G288 VanDerWaalsContact C-N 3.31Å; L286-G288 PolarHBondContact O-N 3Å; L286-R289 WeakPolarHBondContact O-CB 3.37Å; L286-R289 PolarHBondContact O-N 3.02Å; L286-Y290 PolarHBondContact O-N 3.22Å; L286-Y290 VanDerWaalsContact O-N 3.07Å; L286-I319 HydrophobicContact CD1-CD1 4.18Å; L286-I319 HydrophobicContact CD1-CG2 4.19Å; L286-I321 HydrophobicContact CD1-CD1 4.43Å; L286-I321 HydrophobicContact CD2-CD1 4.31Å; L286-I321 HydrophobicContact CD2-CG1 4.25Å; L286-I321 HydrophobicContact CG-CD1 4.05Å; L286-I321 HydrophobicContact CG-CG1 4.49Å; L286-E399 HydrophobicContact CD2-CB 3.5Å; L286-E399 VanDerWaalsContact CD2-CB 3.5Å; L286-E399 HydrophobicContact CD2-CG 3.71Å; L286-V401 HydrophobicContact CD2-CG1 4.48Å
287I91Very high86.3Confident0 Ų063.4 Ų63.40%031%0.314CS..Hα-helixtrans-67.2-36178.4-60.5176.1000110.6E283 R289 Y290 F291 V401 E407 F411E283-I287 HydrophobicContact CG-CD1 4.06Å; E283-I287 WeakPolarHBondContact O-CG1 3.24Å; E283-I287 PolarHBondContact O-N 3.46Å; I287-R289 PolarHBondContact O-N 2.8Å; I287-Y290 WeakPolarHBondContact O-CB 3.46Å; I287-Y290 PolarHBondContact O-N 3.08Å; I287-Y290 VanDerWaalsContact O-N 3.13Å; I287-F291 HydrophobicContact CG2-CD2 3.94Å; I287-F291 HydrophobicContact CG2-CE1 4.34Å; I287-F291 HydrophobicContact CG2-CE2 3.47Å; I287-F291 VanDerWaalsContact CG2-CE2 3.47Å; I287-F291 HydrophobicContact CG2-CZ 3.69Å; I287-F291 PolarHBondContact O-N 3.09Å; I287-V401 HydrophobicContact CD1-CB 4.28Å; I287-V401 HydrophobicContact CD1-CG1 4.25Å; I287-V401 HydrophobicContact CG1-CG1 4.4Å; I287-E407 HydrophobicContact CB-CB 4.24Å; I287-E407 HydrophobicContact CG2-CB 3.85Å; I287-F411 HydrophobicContact CD1-CB 4.46Å; I287-F411 HydrophobicContact CG2-CB 4.27Å
288G90Very high86.5Confident21 Ų2162.6 Ų62.622%0.21631%0.311CS..Hα-helixtrans-56.7-47.3171.500000112.1K284 L286 Y290 F291 D292K284-G288 PolarHBondContact O-N 3.34Å; L286-G288 VanDerWaalsContact C-N 3.31Å; L286-G288 PolarHBondContact O-N 3Å; G288-Y290 VanDerWaalsContact C-N 3.29Å; G288-Y290 PolarHBondContact O-N 2.92Å; G288-F291 PolarHBondContact O-N 2.92Å; G288-D292 VanDerWaalsContact O-CG 3.23Å; G288-D292 PolarHBondContact O-N 2.98Å
289R90.6Very high86.8Confident92 Ų9263 Ų6335%0.34732%0.318SS..Hα-helixtrans-59.7-39.6174.5-176.6-179.8176.4-163.6-7111.9K285 L286 I287 D292 E293 E318 I421K285-R289 PolarHBondContact O-N 3.47Å; L286-R289 WeakPolarHBondContact O-CB 3.37Å; L286-R289 PolarHBondContact O-N 3.02Å; I287-R289 PolarHBondContact O-N 2.8Å; R289-D292 PolarHBondContact O-N 2.9Å; R289-E293 WeakPolarHBondContact O-CG 3.31Å; R289-E293 PolarHBondContact O-N 3.11Å; R289-E318 IonicContact NH2-OE1 3.54Å; R289-I421 HydrophobicContact CG-CD1 4.2Å
290Y91.8Very high87.4Confident0 Ų062.2 Ų62.20%031%0.314CS..Hα-helixtrans-62.9-44.2175.6173.6-97.8000112.1L286 I287 G288 D292 E293 I294 C302 I321 F411 F415 I421L286-Y290 PolarHBondContact O-N 3.22Å; L286-Y290 VanDerWaalsContact O-N 3.07Å; I287-Y290 WeakPolarHBondContact O-CB 3.46Å; I287-Y290 PolarHBondContact O-N 3.08Å; I287-Y290 VanDerWaalsContact O-N 3.13Å; G288-Y290 VanDerWaalsContact C-N 3.29Å; G288-Y290 PolarHBondContact O-N 2.92Å; Y290-D292 VanDerWaalsContact C-N 3.34Å; Y290-D292 PolarHBondContact O-N 2.83Å; Y290-E293 PolarHBondContact O-N 2.94Å; Y290-I294 HydrophobicContact CD1-CD1 3.93Å; Y290-I294 HydrophobicContact CE1-CD1 3.38Å; Y290-I294 HydrophobicContact CE2-CD1 4.46Å; Y290-I294 PolarHBondContact O-N 3.37Å; Y290-C302 PolarHBondContact OH-O 3.16Å; Y290-I321 HydrophobicContact CD2-CD1 4.28Å; Y290-I321 HydrophobicContact CG-CD1 4.3Å; Y290-F411 HydrophobicContact CD1-CD2 4.11Å; Y290-F411 HydrophobicContact CD1-CE2 4.25Å; Y290-F411 AromaticContact CE1-CD2 3.84Å; Y290-F411 HydrophobicContact CE1-CD2 3.84Å; Y290-F411 AromaticContact CE1-CE2 3.85Å; Y290-F411 HydrophobicContact CE1-CE2 3.85Å; Y290-F415 HydrophobicContact CE1-CD2 4.4Å; Y290-F415 HydrophobicContact CE1-CE2 4.48Å; Y290-I421 HydrophobicContact CD2-CG1 4.09Å
291F91.2Very high88Confident34 Ų3461.5 Ų61.515%0.14931%0.31CS..Hα-helixtrans-69.3-29.3175.5-67-31.2000113.7I287 G288 I294 S295 E407 Q410 F411 F415I287-F291 HydrophobicContact CG2-CD2 3.94Å; I287-F291 HydrophobicContact CG2-CE1 4.34Å; I287-F291 HydrophobicContact CG2-CE2 3.47Å; I287-F291 VanDerWaalsContact CG2-CE2 3.47Å; I287-F291 HydrophobicContact CG2-CZ 3.69Å; I287-F291 PolarHBondContact O-N 3.09Å; G288-F291 PolarHBondContact O-N 2.92Å; F291-I294 HydrophobicContact CD1-CD1 4.13Å; F291-I294 PolarHBondContact O-N 2.93Å; F291-S295 WeakPolarHBondContact O-CB 3.3Å; F291-S295 PolarHBondContact O-N 3.38Å; F291-S295 PolarHBondContact O-OG 3.21Å; F291-E407 HydrophobicContact CE2-CB 4.16Å; F291-Q410 HydrophobicContact CE2-CB 4.31Å; F291-Q410 HydrophobicContact CZ-CB 3.98Å; F291-F411 HydrophobicContact CZ-CB 4.37Å; F291-F415 HydrophobicContact CD1-CE2 4.33Å; F291-F415 HydrophobicContact CE1-CD2 4.15Å; F291-F415 AromaticContact CE1-CE2 3.59Å; F291-F415 HydrophobicContact CE1-CE2 3.59Å; F291-F415 HydrophobicContact CE1-CZ 4.43Å; F291-F415 HydrophobicContact CZ-CE2 4.47Å
292D91.8Very high88.5Confident86 Ų8658 Ų5846%0.4629%0.292SS..Hα-helixtrans-64.8-40.6173.5-70.3-26.4000111.2G288 R289 Y290 I294 S295 Q296G288-D292 VanDerWaalsContact O-CG 3.23Å; G288-D292 PolarHBondContact O-N 2.98Å; R289-D292 PolarHBondContact O-N 2.9Å; Y290-D292 VanDerWaalsContact C-N 3.34Å; Y290-D292 PolarHBondContact O-N 2.83Å; D292-I294 VanDerWaalsContact C-N 3.31Å; D292-I294 PolarHBondContact O-N 3.44Å; D292-S295 PolarHBondContact O-N 2.87Å; D292-Q296 WeakPolarHBondContact O-CB 3.11Å; D292-Q296 VanDerWaalsContact O-CG 3.24Å; D292-Q296 WeakPolarHBondContact O-CG 3.24Å; D292-Q296 PolarHBondContact O-N 3.04Å
293E90Very high88.9Confident31 Ų3158.7 Ų58.715%0.14529%0.294CS..Hα-helixtrans-64.8-35.6176.1-65.5-67.7166.400112.1R289 Y290 D297 T298R289-E293 WeakPolarHBondContact O-CG 3.31Å; R289-E293 PolarHBondContact O-N 3.11Å; Y290-E293 PolarHBondContact O-N 2.94Å; E293-D297 PolarHBondContact O-N 3.29Å; E293-T298 PolarHBondContact O-N 3Å; E293-T298 PolarHBondContact O-OG1 2.86Å; E293-T298 WeakPolarHBondContact OE2-CB 2.89Å; E293-T298 WeakPolarHBondContact OE2-CG2 3.18Å; E293-T298 PolarHBondContact OE2-OG1 3.24Å
294I89.5Confident89.1Confident35 Ų3559 Ų5918%0.17930%0.302CS..Hα-helixtrans-67.9-46.9172.6-65.9164000110.4Y290 F291 D292 Q296 D297 Y301 F415Y290-I294 HydrophobicContact CD1-CD1 3.93Å; Y290-I294 HydrophobicContact CE1-CD1 3.38Å; Y290-I294 HydrophobicContact CE2-CD1 4.46Å; Y290-I294 PolarHBondContact O-N 3.37Å; F291-I294 HydrophobicContact CD1-CD1 4.13Å; F291-I294 PolarHBondContact O-N 2.93Å; D292-I294 VanDerWaalsContact C-N 3.31Å; D292-I294 PolarHBondContact O-N 3.44Å; I294-Q296 PolarHBondContact O-N 2.83Å; I294-D297 PolarHBondContact O-N 3.06Å; I294-Y301 HydrophobicContact CB-CD1 4.47Å; I294-Y301 HydrophobicContact CB-CE1 4.37Å; I294-Y301 HydrophobicContact CD1-CD2 4.22Å; I294-Y301 HydrophobicContact CD1-CE2 4.49Å; I294-Y301 HydrophobicContact CD1-CG 4.48Å; I294-Y301 HydrophobicContact CG1-CD1 3.74Å; I294-Y301 HydrophobicContact CG1-CD2 3.67Å; I294-Y301 HydrophobicContact CG1-CE1 3.92Å; I294-Y301 HydrophobicContact CG1-CE2 3.85Å; I294-Y301 HydrophobicContact CG1-CG 3.62Å; I294-F415 HydrophobicContact CD1-CE1 3.97Å; I294-F415 HydrophobicContact CD1-CE2 4.43Å; I294-F415 HydrophobicContact CD1-CZ 3.72Å
295S90.6Very high89.2Confident95 Ų9555.7 Ų55.766%0.66429%0.29SS*.Hα-helixtrans-67.8-24.9-176-570000113.3F291 D292F291-S295 WeakPolarHBondContact O-CB 3.3Å; F291-S295 PolarHBondContact O-N 3.38Å; F291-S295 PolarHBondContact O-OG 3.21Å; D292-S295 PolarHBondContact O-N 2.87Å
296Q89.1Confident89.2Confident132 Ų13255.1 Ų55.162%0.61729%0.29SS*.THydrogen-bonded Turntrans-92.5-0.4178.9-68.6175.233.400113.3D292 I294 T298D292-Q296 WeakPolarHBondContact O-CB 3.11Å; D292-Q296 VanDerWaalsContact O-CG 3.24Å; D292-Q296 WeakPolarHBondContact O-CG 3.24Å; D292-Q296 PolarHBondContact O-N 3.04Å; I294-Q296 PolarHBondContact O-N 2.83Å; Q296-T298 HydrophobicContact CB-CG2 3.81Å; Q296-T298 PolarHBondContact O-N 3.49Å; Q296-T298 VanDerWaalsContact O-N 3.14Å
297D84.9Confident89.1Confident132 Ų13255.2 Ų55.271%0.70629%0.29SS*.THydrogen-bonded Turntrans50.135.4-177.8-69.3-41000113.6E293 I294 G299E293-D297 PolarHBondContact O-N 3.29Å; I294-D297 PolarHBondContact O-N 3.06Å; D297-G299 PolarHBondContact O-N 3.16Å
298T84.7Confident89Confident42 Ų4255.2 Ų55.226%0.25829%0.29SS..  trans-70.7-18.1-179.6620000112.3E293 Q296 K300E293-T298 PolarHBondContact O-N 3Å; E293-T298 PolarHBondContact O-OG1 2.86Å; E293-T298 WeakPolarHBondContact OE2-CB 2.89Å; E293-T298 WeakPolarHBondContact OE2-CG2 3.18Å; E293-T298 PolarHBondContact OE2-OG1 3.24Å; Q296-T298 HydrophobicContact CB-CG2 3.81Å; Q296-T298 PolarHBondContact O-N 3.49Å; Q296-T298 VanDerWaalsContact O-N 3.14Å; T298-K300 PolarHBondContact O-N 2.88Å; T298-K300 PolarHBondContact OG1-N 3.39Å
299G84.1Confident88.9Confident17 Ų1754.7 Ų54.718%0.17528%0.282CS..  trans68.518.7-17500000113.6D297 R425D297-G299 PolarHBondContact O-N 3.16Å; G299-R425 WeakPolarHBondContact O-CA 3.07Å
300K89.6Confident88.8Confident80 Ų8053 Ų5335%0.34828%0.277SS..  trans-99.138-178.9-63.9-176.4-175.7177.40113.1T298 L422T298-K300 PolarHBondContact O-N 2.88Å; T298-K300 PolarHBondContact OG1-N 3.39Å; K300-L422 PolarHBondContact O-N 2.82Å
301Y92Very high88.7Confident57 Ų5753 Ų5322%0.22428%0.277CS..EExtended strand (participates in β ladder)trans-138154.2178.267.1-88.6000109.7I294 F303 G420I294-Y301 HydrophobicContact CB-CD1 4.47Å; I294-Y301 HydrophobicContact CB-CE1 4.37Å; I294-Y301 HydrophobicContact CD1-CD2 4.22Å; I294-Y301 HydrophobicContact CD1-CE2 4.49Å; I294-Y301 HydrophobicContact CD1-CG 4.48Å; I294-Y301 HydrophobicContact CG1-CD1 3.74Å; I294-Y301 HydrophobicContact CG1-CD2 3.67Å; I294-Y301 HydrophobicContact CG1-CE1 3.92Å; I294-Y301 HydrophobicContact CG1-CE2 3.85Å; I294-Y301 HydrophobicContact CG1-CG 3.62Å; Y301-F303 AromaticContact CD2-CD1 3.99Å; Y301-F303 HydrophobicContact CD2-CD1 3.99Å; Y301-F303 HydrophobicContact CD2-CE1 4.5Å; Y301-F303 AromaticContact CE2-CD1 3.74Å; Y301-F303 HydrophobicContact CE2-CD1 3.74Å; Y301-F303 AromaticContact CE2-CE1 3.81Å; Y301-F303 HydrophobicContact CE2-CE1 3.81Å; Y301-G420 WeakPolarHBondContact CA-O 3.42Å
302C90.3Very high88.5Confident1 Ų151.4 Ų51.41%0.00727%0.271CS..EExtended strand (participates in β ladder)trans-132.4149.9168.359.40000109.4Y290 A311 G419 G420 L422 F428Y290-C302 PolarHBondContact OH-O 3.16Å; C302-A311 HydrophobicContact CB-CB 4.46Å; C302-G419 CarbonylContact O-C 3.57Å; C302-G419 WeakPolarHBondContact O-CA 3.35Å; C302-G420 PolarHBondContact N-O 3.33Å; C302-G420 PolarHBondContact O-N 3.3Å; C302-G420 PolarHBondContact SG-N 2.99Å; C302-G420 VanDerWaalsContact SG-N 3.39Å; C302-L422 HydrophobicContact CB-CD1 4.37Å; C302-L422 HydrophobicContact CB-CD2 4.26Å; C302-L422 HydrophobicContact CB-CG 4.5Å; C302-F428 HydrophobicContact CB-CE2 3.95Å; C302-F428 HydrophobicContact CB-CZ 3.65Å
303F90.6Very high88.3Confident90 Ų9054 Ų5440%0.39528%0.28SS..EExtended strand (participates in β ladder)trans-142.6156.9176.561.6-90000109.8Y301 D307 F415Y301-F303 AromaticContact CD2-CD1 3.99Å; Y301-F303 HydrophobicContact CD2-CD1 3.99Å; Y301-F303 HydrophobicContact CD2-CE1 4.5Å; Y301-F303 AromaticContact CE2-CD1 3.74Å; Y301-F303 HydrophobicContact CE2-CD1 3.74Å; Y301-F303 AromaticContact CE2-CE1 3.81Å; Y301-F303 HydrophobicContact CE2-CE1 3.81Å; F303-D307 WeakPolarHBondContact O-CB 3.48Å; F303-F415 HydrophobicContact CB-CB 4.14Å; F303-F415 HydrophobicContact CB-CD1 3.68Å; F303-F415 HydrophobicContact CB-CG 4.34Å; F303-F415 HydrophobicContact CD1-CD1 4.27Å; F303-F415 HydrophobicContact CD1-CE1 4.49Å; F303-F415 HydrophobicContact CD2-CD1 4.25Å; F303-F415 AromaticContact CG-CD1 3.82Å; F303-F415 HydrophobicContact CG-CD1 3.82Å; F303-F415 HydrophobicContact CG-CE1 4.46Å
304G88Confident88.1Confident24 Ų2456.7 Ų56.725%0.24729%0.293CS..SBendtrans81.2157.8-176.900000112.9T308 I418G304-T308 WeakPolarHBondContact O-CB 3.13Å; G304-T308 PolarHBondContact O-N 3.38Å; G304-T308 PolarHBondContact O-OG1 2.63Å; G304-I418 PolarHBondContact N-O 3.47Å
305V86.4Confident87.9Confident33 Ų3356.3 Ų56.320%0.230%0.299CS..Hα-helixtrans-68.1-45.4-170.2178.80000111.2L309 T328 Y354 L383 I418V305-L309 HydrophobicContact CG1-CD1 3.7Å; V305-L309 WeakPolarHBondContact O-CB 3.49Å; V305-L309 WeakPolarHBondContact O-CD1 3.4Å; V305-L309 WeakPolarHBondContact O-CG 3.33Å; V305-L309 PolarHBondContact O-N 2.84Å; V305-T328 HydrophobicContact CG2-CG2 4.49Å; V305-Y354 HydrophobicContact CG1-CD1 4.46Å; V305-Y354 HydrophobicContact CG1-CG 4.11Å; V305-L383 HydrophobicContact CG1-CD2 3.92Å; V305-I418 HydrophobicContact CG2-CG2 3.9Å
306E86.9Confident87.9Confident130 Ų13051.8 Ų51.861%0.60727%0.267SS*.Hα-helixtrans-66.9-52.8-174.8-63.4-179.6-173.900112.3T308 L309 K310E306-T308 VanDerWaalsContact C-N 3.3Å; E306-T308 PolarHBondContact O-N 3.2Å; E306-L309 PolarHBondContact O-N 3.03Å; E306-K310 WeakPolarHBondContact O-CG 3.47Å; E306-K310 PolarHBondContact O-N 2.86Å
307D88.6Confident87.9Confident28 Ų2845.6 Ų45.615%0.1524%0.238CC..Hα-helixtrans-62.8-38.3178.9-67.9-15.2000112F303 L309 K310 A311 F428F303-D307 WeakPolarHBondContact O-CB 3.48Å; D307-L309 VanDerWaalsContact C-N 3.35Å; D307-K310 PolarHBondContact O-N 2.84Å; D307-A311 WeakPolarHBondContact O-CB 3.23Å; D307-A311 PolarHBondContact O-N 2.97Å; D307-F428 HydrophobicContact CB-CD1 3.82Å; D307-F428 HydrophobicContact CB-CE1 3.95Å; D307-F428 HydrophobicContact CB-CG 4.21Å; D307-F428 HydrophobicContact CB-CZ 4.45Å; D307-F428 WeakPolarHBondContact O-CE1 3.35Å
308T88.9Confident88.2Confident0 Ų042.1 Ų42.10%022%0.218CC..Hα-helixtrans-66.2-39.1177.8-56.80000111.3G304 E306 L312 L320 I418G304-T308 WeakPolarHBondContact O-CB 3.13Å; G304-T308 PolarHBondContact O-N 3.38Å; G304-T308 PolarHBondContact O-OG1 2.63Å; E306-T308 VanDerWaalsContact C-N 3.3Å; E306-T308 PolarHBondContact O-N 3.2Å; T308-L312 VanDerWaalsContact O-CB 3.25Å; T308-L312 WeakPolarHBondContact O-CB 3.34Å; T308-L312 PolarHBondContact O-N 3.47Å; T308-L320 HydrophobicContact CG2-CD1 3.27Å; T308-I418 HydrophobicContact CG2-CD1 4.23Å; T308-I418 HydrophobicContact CG2-CG1 4Å
309L87.7Confident88.5Confident10 Ų1041.1 Ų41.15%0.05221%0.21CC..Hα-helixtrans-68.1-47.1175.8-74.1163.9000111.7V305 E306 D307 A311 L312 E313 Y354 W386 F387V305-L309 HydrophobicContact CG1-CD1 3.7Å; V305-L309 WeakPolarHBondContact O-CB 3.49Å; V305-L309 WeakPolarHBondContact O-CD1 3.4Å; V305-L309 WeakPolarHBondContact O-CG 3.33Å; V305-L309 PolarHBondContact O-N 2.84Å; E306-L309 PolarHBondContact O-N 3.03Å; D307-L309 VanDerWaalsContact C-N 3.35Å; L309-A311 VanDerWaalsContact C-N 3.31Å; L309-A311 PolarHBondContact O-N 3.37Å; L309-L312 WeakPolarHBondContact O-CB 3.03Å; L309-L312 PolarHBondContact O-N 3.2Å; L309-E313 WeakPolarHBondContact O-CG 3.48Å; L309-E313 PolarHBondContact O-N 2.81Å; L309-Y354 HydrophobicContact CD1-CD1 4.01Å; L309-Y354 HydrophobicContact CD1-CD2 3.57Å; L309-Y354 HydrophobicContact CD1-CE1 3.71Å; L309-Y354 HydrophobicContact CD1-CE2 3.29Å; L309-Y354 HydrophobicContact CD1-CG 3.92Å; L309-Y354 HydrophobicContact CD2-CE1 4.2Å; L309-W386 HydrophobicContact CD2-CH2 4.35Å; L309-W386 HydrophobicContact CD2-CZ3 3.82Å; L309-F387 HydrophobicContact CD2-CE1 4.2Å; L309-F387 HydrophobicContact CD2-CZ 4.19Å
310K88Confident88.8Confident55 Ų5540.3 Ų40.324%0.23920%0.202CC..Hα-helixtrans-55.5-47.6174.2-73.9174.5-178.6168.80110.9E306 D307 L312 E313 M314 I431E306-K310 WeakPolarHBondContact O-CG 3.47Å; E306-K310 PolarHBondContact O-N 2.86Å; D307-K310 PolarHBondContact O-N 2.84Å; K310-L312 VanDerWaalsContact C-N 3.28Å; K310-L312 PolarHBondContact O-N 3.07Å; K310-E313 PolarHBondContact O-N 3.45Å; K310-M314 HydrophobicContact CB-CE 4.2Å; K310-M314 VanDerWaalsContact O-CG 3.28Å; K310-M314 WeakPolarHBondContact O-CG 3.17Å; K310-M314 PolarHBondContact O-N 2.59Å; K310-I431 HydrophobicContact CD-CG2 4.35Å
311A89Confident89Confident0 Ų036.5 Ų36.50%019%0.186CC..Hα-helixtrans-62.8-35.2177.300000112.8C302 D307 L309 G315 A316 V317 L422 F428C302-A311 HydrophobicContact CB-CB 4.46Å; D307-A311 WeakPolarHBondContact O-CB 3.23Å; D307-A311 PolarHBondContact O-N 2.97Å; L309-A311 VanDerWaalsContact C-N 3.31Å; L309-A311 PolarHBondContact O-N 3.37Å; A311-G315 PolarHBondContact O-N 2.97Å; A311-A316 PolarHBondContact O-N 3.08Å; A311-V317 HydrophobicContact CB-CG2 3.67Å; A311-L422 HydrophobicContact CB-CD2 3.81Å; A311-F428 HydrophobicContact CB-CE1 3.97Å; A311-F428 HydrophobicContact CB-CZ 3.97Å
312L88.1Confident89Confident2 Ų233.8 Ų33.81%0.0118%0.175CC..Hα-helixtrans-70.3-41.8178-167.373.7000111.3T308 L309 K310 M314 G315 V317 W386 F387 F394 A396T308-L312 VanDerWaalsContact O-CB 3.25Å; T308-L312 WeakPolarHBondContact O-CB 3.34Å; T308-L312 PolarHBondContact O-N 3.47Å; L309-L312 WeakPolarHBondContact O-CB 3.03Å; L309-L312 PolarHBondContact O-N 3.2Å; K310-L312 VanDerWaalsContact C-N 3.28Å; K310-L312 PolarHBondContact O-N 3.07Å; L312-M314 VanDerWaalsContact C-N 3.34Å; L312-G315 PolarHBondContact O-N 3.18Å; L312-V317 HydrophobicContact CD1-CB 4.37Å; L312-V317 HydrophobicContact CD1-CG2 4.42Å; L312-W386 HydrophobicContact CD2-CH2 4.25Å; L312-W386 HydrophobicContact CD2-CZ3 4.17Å; L312-F387 HydrophobicContact CD2-CD1 4.11Å; L312-F387 HydrophobicContact CD2-CE1 3.77Å; L312-F394 HydrophobicContact CD1-CB 3.77Å; L312-F394 HydrophobicContact CD1-CD2 4.33Å; L312-F394 HydrophobicContact CD1-CG 4.11Å; L312-F394 HydrophobicContact CD2-CD2 3.67Å; L312-F394 HydrophobicContact CD2-CE2 3.89Å; L312-F394 HydrophobicContact CD2-CG 4.04Å; L312-F394 HydrophobicContact CD2-CZ 4.44Å; L312-F394 HydrophobicContact CG-CB 3.85Å; L312-F394 HydrophobicContact CG-CD1 4.05Å; L312-F394 HydrophobicContact CG-CD2 3.83Å; L312-F394 HydrophobicContact CG-CE2 4.37Å; L312-F394 HydrophobicContact CG-CG 3.65Å; L312-F394 VanDerWaalsContact O-CD1 3.31Å; L312-F394 WeakPolarHBondContact O-CD1 3.25Å; L312-A396 HydrophobicContact CD1-CB 3.84Å
313E86.9Confident89.1Confident141 Ų14135 Ų3566%0.65918%0.18SC*.Hα-helixtrans-64.5-37.9175.8-73.1-179.8-179.900112.3L309 K310 G315L309-E313 WeakPolarHBondContact O-CG 3.48Å; L309-E313 PolarHBondContact O-N 2.81Å; K310-E313 PolarHBondContact O-N 3.45Å; E313-G315 PolarHBondContact O-N 2.65Å
314M86.1Confident88.9Confident86 Ų8633.6 Ų33.642%0.42417%0.174SC..THydrogen-bonded Turntrans-70.5-10.2172.1-65.8170.4-160.200113.2K310 L312 A316 V426 I431K310-M314 HydrophobicContact CB-CE 4.2Å; K310-M314 VanDerWaalsContact O-CG 3.28Å; K310-M314 WeakPolarHBondContact O-CG 3.17Å; K310-M314 PolarHBondContact O-N 2.59Å; L312-M314 VanDerWaalsContact C-N 3.34Å; M314-A316 HydrophobicContact CB-CB 4.41Å; M314-A316 PolarHBondContact O-N 3.27Å; M314-V426 HydrophobicContact SD-CG1 4.29Å; M314-I431 HydrophobicContact CE-CD1 3.49Å; M314-I431 VanDerWaalsContact CE-CD1 3.49Å; M314-I431 HydrophobicContact CE-CG1 4.37Å; M314-I431 HydrophobicContact CE-CG2 4.49Å; M314-I431 HydrophobicContact SD-CD1 4.14Å
315G86.4Confident88.9Confident28 Ų2836.1 Ų36.129%0.28918%0.182SC..THydrogen-bonded Turntrans64.623.2-174.700000113.4A311 L312 E313A311-G315 PolarHBondContact O-N 2.97Å; L312-G315 PolarHBondContact O-N 3.18Å; E313-G315 PolarHBondContact O-N 2.65Å
316A88.7Confident88.8Confident0 Ų035.4 Ų35.40%018%0.177CC..  trans-79.3-22-178.300000112.7A311 M314 E318 L422 R423 Y424 V426A311-A316 PolarHBondContact O-N 3.08Å; M314-A316 HydrophobicContact CB-CB 4.41Å; M314-A316 PolarHBondContact O-N 3.27Å; A316-E318 PolarHBondContact O-N 3.21Å; A316-L422 HydrophobicContact CB-CD2 4.31Å; A316-L422 CarbonylContact O-C 3.56Å; A316-L422 WeakPolarHBondContact O-CA 3.48Å; A316-R423 PolarHBondContact O-N 3.01Å; A316-Y424 HydrophobicContact CB-CE1 4.01Å; A316-Y424 HydrophobicContact CB-CE2 3.98Å; A316-V426 HydrophobicContact CB-CG2 3.8Å
317V90.1Very high88.5Confident1 Ų134.8 Ų34.81%0.00618%0.178CC..EExtended strand (participates in β ladder)trans-72.7124.9-176-176.40000111.1A311 L312 L320 A396 L422A311-V317 HydrophobicContact CB-CG2 3.67Å; L312-V317 HydrophobicContact CD1-CB 4.37Å; L312-V317 HydrophobicContact CD1-CG2 4.42Å; V317-L320 HydrophobicContact CG1-CB 4.04Å; V317-A396 HydrophobicContact CB-CB 4.24Å; V317-A396 HydrophobicContact CG1-CB 4.1Å; V317-L422 HydrophobicContact CB-CD2 4.44Å; V317-L422 HydrophobicContact CG2-CD2 3.79Å
318E90.3Very high88.3Confident60 Ų6034.1 Ų34.128%0.2818%0.175SC..EExtended strand (participates in β ladder)trans-83.2-56.3168.2-168.6-175.1145.800109.8R289 A316 C397 I421 R423R289-E318 IonicContact NH2-OE1 3.54Å; A316-E318 PolarHBondContact O-N 3.21Å; E318-C397 PolarHBondContact O-N 3.23Å; E318-I421 WeakPolarHBondContact CB-O 3.45Å; E318-I421 PolarHBondContact N-O 3.3Å; E318-R423 HydrophobicContact CB-CG 3.71Å; E318-R423 HydrophobicContact CG-CG 4.3Å
319I91.1Very high87.9Confident21 Ų2137.6 Ų37.611%0.10819%0.192CC..EExtended strand (participates in β ladder)trans-127.8118-177-50.3176.4000108.1L286 I321 C397 E399 G420 I421L286-I319 HydrophobicContact CD1-CD1 4.18Å; L286-I319 HydrophobicContact CD1-CG2 4.19Å; I319-I321 HydrophobicContact CG2-CG1 4.28Å; I319-C397 CarbonylContact C-O 3.51Å; I319-C397 WeakPolarHBondContact CA-O 3Å; I319-E399 HydrophobicContact CG2-CB 4.31Å; I319-E399 HydrophobicContact CG2-CG 3.96Å; I319-G420 CarbonylContact O-C 3.56Å; I319-G420 WeakPolarHBondContact O-CA 3.34Å; I319-I421 HydrophobicContact CB-CB 4.4Å; I319-I421 HydrophobicContact CD1-CD1 4.41Å; I319-I421 PolarHBondContact N-O 3.07Å; I319-I421 PolarHBondContact O-N 3.05Å
320L91.9Very high87.8Confident0 Ų038.8 Ų38.80%020%0.196CC..EExtended strand (participates in β ladder)trans-90.3122173.2-179.664.9000108.8T308 V317 V322 F387 C397 L398 E399T308-L320 HydrophobicContact CG2-CD1 3.27Å; V317-L320 HydrophobicContact CG1-CB 4.04Å; L320-V322 HydrophobicContact CD1-CG2 4.25Å; L320-V322 HydrophobicContact CD2-CG2 4.13Å; L320-V322 HydrophobicContact CG-CG2 3.77Å; L320-F387 HydrophobicContact CD2-CB 4.32Å; L320-F387 HydrophobicContact CD2-CD1 3.57Å; L320-F387 HydrophobicContact CD2-CD2 4.43Å; L320-F387 HydrophobicContact CD2-CE1 3.91Å; L320-F387 HydrophobicContact CD2-CG 3.88Å; L320-F387 HydrophobicContact CD2-CZ 4.47Å; L320-C397 PolarHBondContact N-O 3.37Å; L320-L398 HydrophobicContact CB-CD1 4.39Å; L320-L398 HydrophobicContact CD2-CD1 3.92Å; L320-L398 HydrophobicContact CG-CD1 4.06Å; L320-E399 PolarHBondContact O-N 3.37Å
321I92.8Very high87.4Confident0 Ų036.8 Ų36.80%019%0.186CC..EExtended strand (participates in β ladder)trans-109.1117.4-178.2-54.9177.7000108.1L286 Y290 I319 E399 V401 F411 G419 I421L286-I321 HydrophobicContact CD1-CD1 4.43Å; L286-I321 HydrophobicContact CD2-CD1 4.31Å; L286-I321 HydrophobicContact CD2-CG1 4.25Å; L286-I321 HydrophobicContact CG-CD1 4.05Å; L286-I321 HydrophobicContact CG-CG1 4.49Å; Y290-I321 HydrophobicContact CD2-CD1 4.28Å; Y290-I321 HydrophobicContact CG-CD1 4.3Å; I319-I321 HydrophobicContact CG2-CG1 4.28Å; I321-E399 WeakPolarHBondContact CA-O 2.93Å; I321-V401 HydrophobicContact CG2-CB 4.42Å; I321-V401 HydrophobicContact CG2-CG1 3.61Å; I321-V401 HydrophobicContact CG2-CG2 3.88Å; I321-F411 HydrophobicContact CB-CZ 4.02Å; I321-F411 HydrophobicContact CG2-CE1 3.81Å; I321-F411 HydrophobicContact CG2-CE2 4.32Å; I321-F411 HydrophobicContact CG2-CZ 3.69Å; I321-G419 CarbonylContact C-O 3.55Å; I321-G419 PolarHBondContact N-O 3.38Å; I321-G419 PolarHBondContact O-N 2.99Å; I321-I421 HydrophobicContact CD1-CD1 4.42Å; I321-I421 HydrophobicContact CD1-CG1 4.4Å
322V92.4Very high87Confident0 Ų037.8 Ų37.80%019%0.192CC..EExtended strand (participates in β ladder)trans-131.1136.2-177.1-165.10000110.9L320 L326 L384 F387 L398 E399 I400 V401L320-V322 HydrophobicContact CD1-CG2 4.25Å; L320-V322 HydrophobicContact CD2-CG2 4.13Å; L320-V322 HydrophobicContact CG-CG2 3.77Å; V322-L326 HydrophobicContact CG1-CB 4.38Å; V322-L326 HydrophobicContact CG1-CD1 3.96Å; V322-L384 HydrophobicContact CB-CD1 3.9Å; V322-L384 HydrophobicContact CG1-CD1 3.65Å; V322-F387 HydrophobicContact CG1-CD2 4.49Å; V322-F387 HydrophobicContact CG2-CD2 4.12Å; V322-F387 HydrophobicContact CG2-CE2 4.45Å; V322-L398 HydrophobicContact CB-CD1 4.26Å; V322-L398 HydrophobicContact CG2-CD1 3.62Å; V322-E399 PolarHBondContact N-O 3.48Å; V322-I400 WeakPolarHBondContact O-CA 3.36Å; V322-V401 PolarHBondContact O-N 3.26Å
323Y91.8Very high86.6Confident27 Ų2737.7 Ų37.711%0.10619%0.191CC..EExtended strand (participates in β ladder)trans-71.8138175.9176.9-128.9000112.2N325 L326 V401 D403 V412 G417Y323-N325 VanDerWaalsContact C-N 3.27Å; Y323-N325 VanDerWaalsContact CD1-C 3.5Å; Y323-N325 HydrophobicContact CD1-CB 4.29Å; Y323-N325 WeakPolarHBondContact CD1-O 3.49Å; Y323-N325 HydrophobicContact CE1-CB 3.57Å; Y323-N325 VanDerWaalsContact CE1-O 3.32Å; Y323-N325 WeakPolarHBondContact CE1-O 3.48Å; Y323-N325 PolarHBondContact O-N 2.68Å; Y323-N325 PolarHBondContact OH-ND2 3.03Å; Y323-L326 WeakPolarHBondContact O-CB 3.21Å; Y323-L326 PolarHBondContact O-N 2.92Å; Y323-V401 WeakPolarHBondContact CD2-O 3.43Å; Y323-D403 HydrophobicContact CE2-CB 3.86Å; Y323-V412 HydrophobicContact CD1-CG1 4.15Å; Y323-V412 HydrophobicContact CD1-CG2 4.03Å; Y323-V412 HydrophobicContact CD2-CG2 3.58Å; Y323-V412 HydrophobicContact CE1-CG1 4.17Å; Y323-V412 HydrophobicContact CE1-CG2 4.39Å; Y323-V412 HydrophobicContact CE2-CG2 4.02Å; Y323-V412 HydrophobicContact CG-CG2 3.61Å; Y323-G417 VanDerWaalsContact CB-O 3.29Å; Y323-G417 WeakPolarHBondContact CB-O 3.45Å; Y323-G417 PolarHBondContact N-O 2.67Å
324E87.4Confident85.9Confident60 Ų6035.9 Ų35.928%0.2818%0.178SC..THydrogen-bonded Turntrans-61.6-29.7-175.761.4163.4-156.100114.9L384 I400 V401 T402E324-L384 VanDerWaalsContact O-CD2 3.28Å; E324-L384 WeakPolarHBondContact O-CD2 3.39Å; E324-I400 HydrophobicContact CB-CG2 3.79Å; E324-V401 PolarHBondContact N-O 3.36Å; E324-T402 HydrophobicContact CG-CG2 4.21Å
325N86.7Confident84.7Confident76 Ų7632.8 Ų32.841%0.40617%0.165SC..THydrogen-bonded Turntrans-112.447.4179.4-53.1-55.7000109.9Y323 D327Y323-N325 VanDerWaalsContact C-N 3.27Å; Y323-N325 VanDerWaalsContact CD1-C 3.5Å; Y323-N325 HydrophobicContact CD1-CB 4.29Å; Y323-N325 WeakPolarHBondContact CD1-O 3.49Å; Y323-N325 HydrophobicContact CE1-CB 3.57Å; Y323-N325 VanDerWaalsContact CE1-O 3.32Å; Y323-N325 WeakPolarHBondContact CE1-O 3.48Å; Y323-N325 PolarHBondContact O-N 2.68Å; Y323-N325 PolarHBondContact OH-ND2 3.03Å; N325-D327 PolarHBondContact O-N 3.08Å
326L84.8Confident83.2Confident19 Ų1936.3 Ų36.310%0.09917%0.174CC..  trans-71111.4174.3-173.5128.2000110.2V322 Y323 T328 L383 I418V322-L326 HydrophobicContact CG1-CB 4.38Å; V322-L326 HydrophobicContact CG1-CD1 3.96Å; Y323-L326 WeakPolarHBondContact O-CB 3.21Å; Y323-L326 PolarHBondContact O-N 2.92Å; L326-T328 VanDerWaalsContact CD2-CB 3.45Å; L326-T328 WeakPolarHBondContact CD2-OG1 3.45Å; L326-T328 PolarHBondContact O-N 3.42Å; L326-T328 VanDerWaalsContact O-N 3.09Å; L326-L383 HydrophobicContact CD2-CB 3.92Å; L326-L383 HydrophobicContact CD2-CD2 4.01Å; L326-L383 HydrophobicContact CD2-CG 4.3Å; L326-I418 HydrophobicContact CD1-CB 3.85Å; L326-I418 HydrophobicContact CD1-CG2 4.44Å
327D80.3Confident81.2Confident117 Ų11739.3 Ų39.363%0.62621%0.205SC*.  trans-85.959.1178.6-66-30.4000110.4N325 P357N325-D327 PolarHBondContact O-N 3.08Å; D327-P357 HydrophobicContact CB-CG 3.87Å; D327-P357 WeakPolarHBondContact O-CD 3.48Å
328T83.9Confident79.1Confident13 Ų1342 Ų428%0.0823%0.227CC..  trans-126.9126.8171.2-45.20000108.7V305 L326 L383V305-T328 HydrophobicContact CG2-CG2 4.49Å; L326-T328 VanDerWaalsContact CD2-CB 3.45Å; L326-T328 WeakPolarHBondContact CD2-OG1 3.45Å; L326-T328 PolarHBondContact O-N 3.42Å; L326-T328 VanDerWaalsContact O-N 3.09Å; T328-L383 HydrophobicContact CG2-CD2 4.03Å; T328-L383 VanDerWaalsContact O-CB 3.25Å; T328-L383 WeakPolarHBondContact O-CB 3.31Å; T328-L383 PolarHBondContact O-N 3.18Å
329M82.4Confident76.7Confident73 Ų7349.4 Ų49.436%0.3626%0.262SS..EExtended strand (participates in β ladder)trans-100.2139.7176.8-67.8-64.4178.500109.3Y331 Y354 L355 P382M329-Y331 HydrophobicContact CB-CD2 4.24Å; M329-Y331 HydrophobicContact CB-CE2 3.45Å; M329-Y331 VanDerWaalsContact CB-CE2 3.45Å; M329-Y354 WeakPolarHBondContact O-CA 3.3Å; M329-L355 PolarHBondContact N-O 2.88Å; M329-L355 PolarHBondContact O-N 2.99Å; M329-P382 HydrophobicContact CE-CG 4.4Å; M329-P382 HydrophobicContact SD-CB 4.19Å; M329-P382 HydrophobicContact SD-CG 4.04Å
330R84.2Confident74.2Confident36 Ų3651 Ų5114%0.13628%0.284CS..EExtended strand (participates in β ladder)trans-97.9121169.9-176.7-177.6-176.3-156.9-5.9108.3T352 L353 Y354 S380 M381 L383R330-T352 HydrophobicContact CG-CG2 3.84Å; R330-T352 PolarHBondContact NH2-OG1 2.82Å; R330-L353 WeakPolarHBondContact CA-O 3.48Å; R330-Y354 HydrophobicContact CB-CD1 4.12Å; R330-Y354 HydrophobicContact CB-CE1 4.13Å; R330-Y354 HydrophobicContact CG-CD1 4.03Å; R330-Y354 HydrophobicContact CG-CE1 3.65Å; R330-S380 WeakPolarHBondContact O-CA 3.49Å; R330-M381 HydrophobicContact CB-CG 4.19Å; R330-M381 WeakPolarHBondContact CB-O 3.11Å; R330-M381 PolarHBondContact N-O 2.98Å; R330-M381 PolarHBondContact O-N 2.89Å; R330-L383 HydrophobicContact CB-CD1 4.49Å
331Y81Confident71.4Confident12 Ų1258 Ų585%0.04732%0.32CS..EExtended strand (participates in β ladder)trans-110134.2173.8-60.1-83.9000109.6M329 T352 L353 L355 E360 F366 L377 E379M329-Y331 HydrophobicContact CB-CD2 4.24Å; M329-Y331 HydrophobicContact CB-CE2 3.45Å; M329-Y331 VanDerWaalsContact CB-CE2 3.45Å; Y331-T352 CarbonylContact O-C 3.58Å; Y331-T352 WeakPolarHBondContact O-CA 3.34Å; Y331-L353 PolarHBondContact N-O 2.8Å; Y331-L353 PolarHBondContact O-N 2.81Å; Y331-L355 HydrophobicContact CD2-CB 4.33Å; Y331-L355 HydrophobicContact CD2-CD1 3.89Å; Y331-L355 HydrophobicContact CD2-CG 4.25Å; Y331-L355 HydrophobicContact CE2-CB 4.05Å; Y331-L355 HydrophobicContact CE2-CD1 4.01Å; Y331-L355 HydrophobicContact CE2-CG 4.4Å; Y331-E360 PolarHBondContact OH-OE1 3.45Å; Y331-F366 HydrophobicContact CD1-CE1 4.37Å; Y331-F366 HydrophobicContact CE2-CZ 4.43Å; Y331-F366 HydrophobicContact CG-CE1 4.41Å; Y331-L377 HydrophobicContact CD1-CD1 3.56Å; Y331-L377 HydrophobicContact CE1-CD1 3.97Å; Y331-E379 WeakPolarHBondContact CA-O 3.37Å
332I80.5Confident68.6Low22 Ų2261.2 Ų61.211%0.11335%0.347CS..EExtended strand (participates in β ladder)trans-108.3114.1167.8-56.1175.3000106.3E350 I378 E379I332-E350 HydrophobicContact CG2-CB 4.27Å; I332-I378 HydrophobicContact CG2-CB 4.5Å; I332-I378 HydrophobicContact CG2-CD1 4.09Å; I332-I378 WeakPolarHBondContact O-CB 3.42Å; I332-I378 PolarHBondContact O-N 2.93Å; I332-E379 HydrophobicContact CD1-CB 4.49Å; I332-E379 PolarHBondContact N-O 3.29Å; I332-E379 PolarHBondContact O-N 2.85Å
333L78.2Confident65.8Low0 Ų067.2 Ų67.20%038%0.377CS..EExtended strand (participates in β ladder)trans-107.8133.6-177.7-63.1178.5000109.3E350 K351 L353 F366 H375 E376 L377L333-E350 CarbonylContact O-C 3.58Å; L333-E350 WeakPolarHBondContact O-CA 3.4Å; L333-K351 PolarHBondContact N-O 3.13Å; L333-K351 PolarHBondContact O-N 3.33Å; L333-L353 HydrophobicContact CD1-CD1 3.52Å; L333-L353 HydrophobicContact CD1-CG 4.23Å; L333-F366 HydrophobicContact CD1-CD1 4.3Å; L333-F366 HydrophobicContact CD2-CD1 4.22Å; L333-F366 HydrophobicContact CD2-CE1 4.45Å; L333-H375 HydrophobicContact CB-CB 3.9Å; L333-H375 HydrophobicContact CD1-CB 4.03Å; L333-H375 HydrophobicContact CD2-CB 4.36Å; L333-H375 HydrophobicContact CG-CB 4.32Å; L333-E376 CarbonylContact C-O 3.57Å; L333-E376 WeakPolarHBondContact CA-O 3.31Å; L333-L377 HydrophobicContact CD2-CB 4.08Å; L333-L377 HydrophobicContact CD2-CG 4.42Å
334R72.8Confident63.1Low102 Ų10270 Ų7039%0.38540%0.396SS..EExtended strand (participates in β ladder)trans-85.3122.3166-171.3171.1-76.8160.3-3.5108.8D349 E376 I378R334-D349 WeakPolarHBondContact CA-O 3.38Å; R334-E376 HydrophobicContact CB-CB 4.37Å; R334-E376 PolarHBondContact N-O 2.96Å; R334-E376 PolarHBondContact O-N 3.37Å; R334-E376 VanDerWaalsContact O-N 3.11Å; R334-I378 HydrophobicContact CB-CD1 3.78Å; R334-I378 HydrophobicContact CB-CG1 3.92Å
335C61.3Low60.7Low22 Ų2275.5 Ų75.515%0.14942%0.422CS..  trans-84.4126.6172.4-61.10000109.2D349 H375C335-D349 PolarHBondContact N-O 3.27Å; C335-H375 PolarHBondContact SG-CE1 3.49Å; C335-H375 PolarHBondContact SG-ND1 3.31Å
336H55.2Low58.4Low102 Ų10280.2 Ų80.247%0.47244%0.439SS..SBendtrans-93.1107.2167.8-80.4-51.7000108.8E376H336-E376 IonicContact NE2-OE2 3.69Å
337G46.3Very low55.9Low63 Ų6383.1 Ų83.165%0.64947%0.473SS*.  trans98.964.3166.200000116.5
338A45.2Very low54.1Low58 Ų5881.5 Ų81.548%0.47947%0.467SS..  trans-119.675.2164.800000110.7G340A338-G340 VanDerWaalsContact C-N 3.25Å
339E41Very low52.6Low214 Ų21485.9 Ų85.9100%149%0.491SS*.SBendtrans-858.2166-88.2-171.2164.900112.9
340G37.5Very low51.7Low56 Ų5686.9 Ų86.958%0.57749%0.494SS*.SBendtrans178.396.1172.100000113.5A338A338-G340 VanDerWaalsContact C-N 3.25Å
341L33Very low51Low146 Ų14690.1 Ų90.176%0.76451%0.509SS*.  -176.9159.7118.2-110.8122.1000109.1
342A35.8Very low50.7Low68 Ų6892 Ų9256%0.56252%0.522SS*.SBendtrans-50.6158.5-164.500000115.1
343M32.8Very low50.5Low126 Ų12692.2 Ų92.262%0.62152%0.523SS*.  trans84.234.4-174-47.5-60174.300116.9
344V34.5Very low50.5Low84 Ų8495.1 Ų95.151%0.50954%0.535SS..  trans-97.782.2148.6-175.30000107.7K346V344-K346 PolarHBondContact O-N 3.03Å
345E38.5Very low50.8Low176 Ų17690.7 Ų90.782%0.82252%0.519SS*.  trans-67.7102.6162.2-80-153.1134.600108.4
346K36.6Very low51.6Low176 Ų17691.9 Ų91.977%0.76553%0.525SS*.SBendtrans71.282.3167.7-59.6173.2-177.5160.60116V344 T348V344-K346 PolarHBondContact O-N 3.03Å; K346-T348 VanDerWaalsContact C-N 3.29Å; K346-T348 PolarHBondContact O-N 2.88Å; K346-T348 PolarHBondContact O-OG1 2.87Å
347G34Very low52.2Low79 Ų7989.8 Ų89.881%0.81452%0.521SS*.SBend60.522.7129.100000119.1
348T41.2Very low53.3Low83 Ų8394.2 Ų94.251%0.50953%0.525SS..  trans-138.4127166.628.50000107.4K346 E350K346-T348 VanDerWaalsContact C-N 3.29Å; K346-T348 PolarHBondContact O-N 2.88Å; K346-T348 PolarHBondContact O-OG1 2.87Å; T348-E350 PolarHBondContact O-N 2.95Å
349D53.7Low54.1Low106 Ų10695.3 Ų95.357%0.56752%0.52SS*.SBendtrans-66.636.6177.3-60.2-40.2000112.8R334 C335R334-D349 WeakPolarHBondContact CA-O 3.38Å; C335-D349 PolarHBondContact N-O 3.27Å
350E62Low55Low93 Ų9389.5 Ų89.544%0.43549%0.493SS..EExtended strand (participates in β ladder)trans-120.4111.3-168-63.2-173.9176.600110.2I332 L333 T348 I378I332-E350 HydrophobicContact CG2-CB 4.27Å; L333-E350 CarbonylContact O-C 3.58Å; L333-E350 WeakPolarHBondContact O-CA 3.4Å; T348-E350 PolarHBondContact O-N 2.95Å; E350-I378 HydrophobicContact CG-CD1 4.16Å
351K69.5Low56.1Low104 Ų10495 Ų9545%0.45250%0.5SS..EExtended strand (participates in β ladder)trans-96.6119.3174.5-170.2172-174.1173.90109.1L333 L353L333-K351 PolarHBondContact N-O 3.13Å; L333-K351 PolarHBondContact O-N 3.33Å; K351-L353 HydrophobicContact CD-CD2 4.46Å; K351-L353 HydrophobicContact CG-CD2 4.31Å; K351-L353 HydrophobicContact CG-CG 4.46Å
352T74.9Confident57.6Low51 Ų5192.1 Ų92.131%0.31349%0.486SS..EExtended strand (participates in β ladder)trans-90122.9172.6-59.50000109.5R330 Y331 Y354R330-T352 HydrophobicContact CG-CG2 3.84Å; R330-T352 PolarHBondContact NH2-OG1 2.82Å; Y331-T352 CarbonylContact O-C 3.58Å; Y331-T352 WeakPolarHBondContact O-CA 3.34Å; T352-Y354 HydrophobicContact CG2-CE1 4.14Å; T352-Y354 HydrophobicContact CG2-CE2 3.75Å
353L75.7Confident58.7Low28 Ų2896.9 Ų96.915%0.14749%0.494CS..EExtended strand (participates in β ladder)trans-113.8143.2173.8-65.8-179.5000110.7R330 Y331 L333 K351 L355 H365R330-L353 WeakPolarHBondContact CA-O 3.48Å; Y331-L353 PolarHBondContact N-O 2.8Å; Y331-L353 PolarHBondContact O-N 2.81Å; L333-L353 HydrophobicContact CD1-CD1 3.52Å; L333-L353 HydrophobicContact CD1-CG 4.23Å; K351-L353 HydrophobicContact CD-CD2 4.46Å; K351-L353 HydrophobicContact CG-CD2 4.31Å; K351-L353 HydrophobicContact CG-CG 4.46Å; L353-L355 HydrophobicContact CB-CD1 4.43Å; L353-L355 HydrophobicContact CB-CG 4.25Å; L353-L355 HydrophobicContact CD1-CD1 4.45Å; L353-H365 WeakPolarHBondContact CD1-O 3.36Å
354Y80.3Confident60.1Low61 Ų6193.9 Ų93.924%0.23949%0.485CS..EExtended strand (participates in β ladder)trans-116.8109.3173-55.4-83.9000107.6V305 L309 M329 R330 T352 L383V305-Y354 HydrophobicContact CG1-CD1 4.46Å; V305-Y354 HydrophobicContact CG1-CG 4.11Å; L309-Y354 HydrophobicContact CD1-CD1 4.01Å; L309-Y354 HydrophobicContact CD1-CD2 3.57Å; L309-Y354 HydrophobicContact CD1-CE1 3.71Å; L309-Y354 HydrophobicContact CD1-CE2 3.29Å; L309-Y354 HydrophobicContact CD1-CG 3.92Å; L309-Y354 HydrophobicContact CD2-CE1 4.2Å; M329-Y354 WeakPolarHBondContact O-CA 3.3Å; R330-Y354 HydrophobicContact CB-CD1 4.12Å; R330-Y354 HydrophobicContact CB-CE1 4.13Å; R330-Y354 HydrophobicContact CG-CD1 4.03Å; R330-Y354 HydrophobicContact CG-CE1 3.65Å; T352-Y354 HydrophobicContact CG2-CE1 4.14Å; T352-Y354 HydrophobicContact CG2-CE2 3.75Å; Y354-L383 HydrophobicContact CD1-CD1 3.74Å; Y354-L383 HydrophobicContact CD1-CD2 4.29Å; Y354-L383 HydrophobicContact CE1-CD1 3.62Å
355L77.3Confident61.3Low8 Ų893.4 Ų93.44%0.04248%0.478CS..EExtended strand (participates in β ladder)trans-123140.9-173-58.4170.7000110.5M329 Y331 L353 Q359 H365 F366M329-L355 PolarHBondContact N-O 2.88Å; M329-L355 PolarHBondContact O-N 2.99Å; Y331-L355 HydrophobicContact CD2-CB 4.33Å; Y331-L355 HydrophobicContact CD2-CD1 3.89Å; Y331-L355 HydrophobicContact CD2-CG 4.25Å; Y331-L355 HydrophobicContact CE2-CB 4.05Å; Y331-L355 HydrophobicContact CE2-CD1 4.01Å; Y331-L355 HydrophobicContact CE2-CG 4.4Å; L353-L355 HydrophobicContact CB-CD1 4.43Å; L353-L355 HydrophobicContact CB-CG 4.25Å; L353-L355 HydrophobicContact CD1-CD1 4.45Å; L355-Q359 HydrophobicContact CB-CB 4.33Å; L355-Q359 HydrophobicContact CD2-CB 4.1Å; L355-H365 HydrophobicContact CD1-CB 4.25Å; L355-H365 HydrophobicContact CD2-CB 4.35Å; L355-F366 HydrophobicContact CD1-CE1 4.46Å; L355-F366 HydrophobicContact CD1-CE2 4.04Å; L355-F366 HydrophobicContact CD1-CZ 3.75Å
356T78.3Confident62.3Low48 Ų4887.1 Ų87.129%0.29445%0.448SS..  trans-82159.2166.458.30000110.6E358 Q359 E360T356-E358 PolarHBondContact O-N 2.88Å; T356-Q359 CarbonylContact O-C 3.56Å; T356-Q359 PolarHBondContact O-N 2.79Å; T356-Q359 VanDerWaalsContact OG1-CD 3.26Å; T356-Q359 WeakPolarHBondContact OG1-CG 3.29Å; T356-Q359 PolarHBondContact OG1-OE1 2.86Å; T356-E360 PolarHBondContact O-N 3.31Å
357P69Low63.3Low58 Ų5881 Ų8138%0.37743%0.425SS..THydrogen-bonded Turntrans-56.8-22.7178-2628.7000114.8D327D327-P357 HydrophobicContact CB-CG 3.87Å; D327-P357 WeakPolarHBondContact O-CD 3.48Å
358E68Low64.3Low156 Ų15679.2 Ų79.273%0.72940%0.397SS*.THydrogen-bonded Turntrans-75.9-43.7175.3-62.3-172.7167.900110.7T356 E360 K361T356-E358 PolarHBondContact O-N 2.88Å; E358-E360 VanDerWaalsContact C-N 3.33Å; E358-K361 PolarHBondContact O-N 2.88Å
359Q63.4Low65Low80 Ų8084.3 Ų84.337%0.37441%0.412SS..G310 helixtrans-73.5-23.2176.1-65.6164.8-33.700112.8L355 T356 K361 D362L355-Q359 HydrophobicContact CB-CB 4.33Å; L355-Q359 HydrophobicContact CD2-CB 4.1Å; T356-Q359 CarbonylContact O-C 3.56Å; T356-Q359 PolarHBondContact O-N 2.79Å; T356-Q359 VanDerWaalsContact OG1-CD 3.26Å; T356-Q359 WeakPolarHBondContact OG1-CG 3.29Å; T356-Q359 PolarHBondContact OG1-OE1 2.86Å; Q359-K361 PolarHBondContact O-N 2.87Å; Q359-D362 PolarHBondContact O-N 3.4Å; Q359-D362 VanDerWaalsContact O-N 3.17Å
360E59.1Low64.8Low92 Ų9287.2 Ų87.243%0.4342%0.422SS..G310 helixtrans-63.5-29.1173.2-173.4178.3-16400112.1Y331 T356 E358 D362Y331-E360 PolarHBondContact OH-OE1 3.45Å; T356-E360 PolarHBondContact O-N 3.31Å; E358-E360 VanDerWaalsContact C-N 3.33Å; E360-D362 VanDerWaalsContact C-N 3.25Å; E360-D362 PolarHBondContact O-N 3.32Å
361K61.7Low64.2Low171 Ų17186.1 Ų86.174%0.74342%0.422SS*.G310 helixtrans-72.3-22.6176.7-67.7175.4-177.1170.10112.5E358 Q359 K363E358-K361 PolarHBondContact O-N 2.88Å; Q359-K361 PolarHBondContact O-N 2.87Å; K361-K363 PolarHBondContact O-N 3.45Å
362D62.6Low63.4Low87 Ų8784 Ų8447%0.46543%0.43SS..  trans-83.195.1-179.4-70.1-27.4000110.1Q359 E360 S364 H365Q359-D362 PolarHBondContact O-N 3.4Å; Q359-D362 VanDerWaalsContact O-N 3.17Å; E360-D362 VanDerWaalsContact C-N 3.25Å; E360-D362 PolarHBondContact O-N 3.32Å; D362-S364 PolarHBondContact O-N 3.15Å; D362-H365 PolarHBondContact O-N 3.21Å; D362-H365 VanDerWaalsContact O-N 3.16Å
363K60.3Low62.7Low167 Ų16786.7 Ų86.773%0.72644%0.439SS*.G310 helixtrans-54.7-18.4178.5-70.5-174.5173.9-171.30114.4K361 H365 F366 T367K361-K363 PolarHBondContact O-N 3.45Å; K363-H365 PolarHBondContact O-N 3.27Å; K363-F366 PolarHBondContact O-N 3.39Å; K363-F366 VanDerWaalsContact O-N 3.14Å; K363-T367 PolarHBondContact O-N 3.34Å; K363-T367 PolarHBondContact O-OG1 3.03Å
364S61.8Low62Low63 Ų6392.9 Ų92.944%0.44147%0.467SS..G310 helixtrans-60.9-20.6176.848.40000114.3D362D362-S364 PolarHBondContact O-N 3.15Å
365H59.4Low61.2Low75 Ų7590.9 Ų90.935%0.34746%0.46SS..G310 helixtrans-83.5-17.1177.5-70.3-72.3000113.8L353 L355 D362 K363L353-H365 WeakPolarHBondContact CD1-O 3.36Å; L355-H365 HydrophobicContact CD1-CB 4.25Å; L355-H365 HydrophobicContact CD2-CB 4.35Å; D362-H365 PolarHBondContact O-N 3.21Å; D362-H365 VanDerWaalsContact O-N 3.16Å; K363-H365 PolarHBondContact O-N 3.27Å
366F59.2Low60.8Low44 Ų4495.5 Ų95.519%0.19348%0.481CS..THydrogen-bonded Turntrans-102-12.2-179.1-65.5-81.1000113Y331 L333 L355 K363 H375Y331-F366 HydrophobicContact CD1-CE1 4.37Å; Y331-F366 HydrophobicContact CE2-CZ 4.43Å; Y331-F366 HydrophobicContact CG-CE1 4.41Å; L333-F366 HydrophobicContact CD1-CD1 4.3Å; L333-F366 HydrophobicContact CD2-CD1 4.22Å; L333-F366 HydrophobicContact CD2-CE1 4.45Å; L355-F366 HydrophobicContact CD1-CE1 4.46Å; L355-F366 HydrophobicContact CD1-CE2 4.04Å; L355-F366 HydrophobicContact CD1-CZ 3.75Å; K363-F366 PolarHBondContact O-N 3.39Å; K363-F366 VanDerWaalsContact O-N 3.14Å; F366-H375 PolarHBondContact O-N 3.33Å
367T57.5Low60.6Low46 Ų4697.2 Ų97.228%0.28249%0.488SS..BIsolated β-bridgetrans-106.213217651.50000110.2K363 K369 E374K363-T367 PolarHBondContact O-N 3.34Å; K363-T367 PolarHBondContact O-OG1 3.03Å; T367-K369 PolarHBondContact O-N 2.97Å; T367-E374 HydrophobicContact CG2-CG 4Å
368D56Low60.9Low42 Ų4297.9 Ų97.923%0.22549%0.488CS..  trans-68.1130.3173.4-149.7-16.5000110.5E370 T371 G372 Q373 H375D368-E370 PolarHBondContact O-N 3.25Å; D368-T371 VanDerWaalsContact CB-OG1 3.31Å; D368-T371 WeakPolarHBondContact CB-OG1 3.46Å; D368-G372 WeakPolarHBondContact O-CA 3.17Å; D368-G372 PolarHBondContact O-N 3.37Å; D368-G372 VanDerWaalsContact O-N 3.07Å; D368-Q373 PolarHBondContact N-O 2.88Å; D368-H375 IonicContact OD2-CE1 3.95Å
369K56.4Low61.2Low190 Ų19095.3 Ų95.383%0.82648%0.476SS*.THydrogen-bonded Turntrans-69.4-20.7-173.2-74.1-178.4179.71750112.9T367T367-K369 PolarHBondContact O-N 2.97Å
370E48Very low62Low168 Ų16894.7 Ų94.779%0.78548%0.48SS*.THydrogen-bonded Turntrans-101.3-35.7-176.2-62.8-167.8144.300113.6D368D368-E370 PolarHBondContact O-N 3.25Å
371T50.3Low63.2Low69 Ų6991.6 Ų91.642%0.42347%0.466SS..THydrogen-bonded Turntrans-102.4-15-175.962.80000113.6D368 Q373D368-T371 VanDerWaalsContact CB-OG1 3.31Å; D368-T371 WeakPolarHBondContact CB-OG1 3.46Å; T371-Q373 PolarHBondContact O-N 2.93Å; T371-Q373 VanDerWaalsContact O-N 3.15Å
372G53.3Low64.5Low61 Ų6185.3 Ų85.363%0.62944%0.443SS*.  trans64.112.2-17700000114D368D368-G372 WeakPolarHBondContact O-CA 3.17Å; D368-G372 PolarHBondContact O-N 3.37Å; D368-G372 VanDerWaalsContact O-N 3.07Å
373Q58.8Low65.6Low107 Ų10781.1 Ų81.150%0.542%0.421SS..PPolyproline II helixtrans-88.3140176.3-65.7-172.212.900110.5D368 T371D368-Q373 PolarHBondContact N-O 2.88Å; T371-Q373 PolarHBondContact O-N 2.93Å; T371-Q373 VanDerWaalsContact O-N 3.15Å
374E60.7Low67Low157 Ų15773.5 Ų73.573%0.73439%0.388SS*.BIsolated β-bridgetrans-74.6128.5173.3-68.5-179168.400109.2T367T367-E374 HydrophobicContact CG2-CG 4Å
375H64.5Low68.2Low19 Ų1974.4 Ų74.49%0.08839%0.385CS..PPolyproline II helixtrans-68.9139.7173.7-60.5-53.7000110.3L333 C335 F366 D368 L377L333-H375 HydrophobicContact CB-CB 3.9Å; L333-H375 HydrophobicContact CD1-CB 4.03Å; L333-H375 HydrophobicContact CD2-CB 4.36Å; L333-H375 HydrophobicContact CG-CB 4.32Å; C335-H375 PolarHBondContact SG-CE1 3.49Å; C335-H375 PolarHBondContact SG-ND1 3.31Å; F366-H375 PolarHBondContact O-N 3.33Å; D368-H375 IonicContact OD2-CE1 3.95Å; H375-L377 PolarHBondContact O-N 2.92Å
376E69.4Low69.6Low106 Ų10672.3 Ų72.350%0.49537%0.374SS..EExtended strand (participates in β ladder)trans-77.2123179-170-178.4-163.300109.6L333 R334 H336 I378L333-E376 CarbonylContact C-O 3.57Å; L333-E376 WeakPolarHBondContact CA-O 3.31Å; R334-E376 HydrophobicContact CB-CB 4.37Å; R334-E376 PolarHBondContact N-O 2.96Å; R334-E376 PolarHBondContact O-N 3.37Å; R334-E376 VanDerWaalsContact O-N 3.11Å; H336-E376 IonicContact NE2-OE2 3.69Å; E376-I378 PolarHBondContact O-N 3.08Å
377L73.1Confident70.9Confident83 Ų8370.2 Ų70.244%0.43537%0.365SS..EExtended strand (participates in β ladder)trans-75.4110.2176.7-175.3141.6000110Y331 L333 H375Y331-L377 HydrophobicContact CD1-CD1 3.56Å; Y331-L377 HydrophobicContact CE1-CD1 3.97Å; L333-L377 HydrophobicContact CD2-CB 4.08Å; L333-L377 HydrophobicContact CD2-CG 4.42Å; H375-L377 PolarHBondContact O-N 2.92Å
378I75.3Confident72.4Confident73 Ų7368.1 Ų68.137%0.37435%0.352SS..EExtended strand (participates in β ladder)trans-81.1-54.4178.2-51.6179.8000109.4I332 R334 E350 E376I332-I378 HydrophobicContact CG2-CB 4.5Å; I332-I378 HydrophobicContact CG2-CD1 4.09Å; I332-I378 WeakPolarHBondContact O-CB 3.42Å; I332-I378 PolarHBondContact O-N 2.93Å; R334-I378 HydrophobicContact CB-CD1 3.78Å; R334-I378 HydrophobicContact CB-CG1 3.92Å; E350-I378 HydrophobicContact CG-CD1 4.16Å; E376-I378 PolarHBondContact O-N 3.08Å
379E75.4Confident73.8Confident101 Ų10170.3 Ų70.347%0.47236%0.364SS..EExtended strand (participates in β ladder)trans-147.1135.3-173-167.7172.3-172.600110.1Y331 I332Y331-E379 WeakPolarHBondContact CA-O 3.37Å; I332-E379 HydrophobicContact CD1-CB 4.49Å; I332-E379 PolarHBondContact N-O 3.29Å; I332-E379 PolarHBondContact O-N 2.85Å
380S80.2Confident75.2Confident68 Ų6861.9 Ų61.948%0.47633%0.329SS..EExtended strand (participates in β ladder)trans-121.6123.3171.462.40000108.2R330R330-S380 WeakPolarHBondContact O-CA 3.49Å
381M83.9Confident77Confident26 Ų2654 Ų5413%0.12829%0.292CS..EExtended strand (participates in β ladder)trans-140.6146.6176.469.2-179.2-47.600112R330 L383 E385 W386R330-M381 HydrophobicContact CB-CG 4.19Å; R330-M381 WeakPolarHBondContact CB-O 3.11Å; R330-M381 PolarHBondContact N-O 2.98Å; R330-M381 PolarHBondContact O-N 2.89Å; M381-L383 PolarHBondContact O-N 2.91Å; M381-E385 HydrophobicContact CE-CG 4.41Å; M381-W386 HydrophobicContact CE-CB 3.74Å; M381-W386 HydrophobicContact CE-CG 4.41Å; M381-W386 HydrophobicContact CG-CB 4.28Å; M381-W386 HydrophobicContact SD-CB 3.71Å; M381-W386 HydrophobicContact SD-CG 4.02Å
382P88Confident78.6Confident39 Ų3956.8 Ų56.825%0.25330%0.298SS..EExtended strand (participates in β ladder)trans-59.4135.4172.2-22.533.3000111.3M329 L384 E385 W386M329-P382 HydrophobicContact CE-CG 4.4Å; M329-P382 HydrophobicContact SD-CB 4.19Å; M329-P382 HydrophobicContact SD-CG 4.04Å; P382-L384 VanDerWaalsContact C-N 3.29Å; P382-L384 PolarHBondContact O-N 3.27Å; P382-E385 HydrophobicContact CB-CB 4.15Å; P382-E385 HydrophobicContact CG-CB 4.5Å; P382-E385 WeakPolarHBondContact O-CB 3.34Å; P382-E385 PolarHBondContact O-N 3.43Å; P382-W386 PolarHBondContact O-N 3.2Å
383L87Confident80.3Confident0 Ų062.1 Ų62.10%030%0.304CS..Hα-helixtrans-61.2-39-175.9-178.559.3000112.2V305 L326 T328 R330 Y354 M381 E385 W386 F387 I418V305-L383 HydrophobicContact CG1-CD2 3.92Å; L326-L383 HydrophobicContact CD2-CB 3.92Å; L326-L383 HydrophobicContact CD2-CD2 4.01Å; L326-L383 HydrophobicContact CD2-CG 4.3Å; T328-L383 HydrophobicContact CG2-CD2 4.03Å; T328-L383 VanDerWaalsContact O-CB 3.25Å; T328-L383 WeakPolarHBondContact O-CB 3.31Å; T328-L383 PolarHBondContact O-N 3.18Å; R330-L383 HydrophobicContact CB-CD1 4.49Å; Y354-L383 HydrophobicContact CD1-CD1 3.74Å; Y354-L383 HydrophobicContact CD1-CD2 4.29Å; Y354-L383 HydrophobicContact CE1-CD1 3.62Å; M381-L383 PolarHBondContact O-N 2.91Å; L383-E385 VanDerWaalsContact C-N 3.3Å; L383-E385 PolarHBondContact O-N 3.36Å; L383-W386 HydrophobicContact CD1-CE3 4.01Å; L383-W386 WeakPolarHBondContact O-CB 3.43Å; L383-W386 PolarHBondContact O-N 2.92Å; L383-F387 HydrophobicContact CD1-CD2 4.37Å; L383-F387 HydrophobicContact CD1-CE2 3.84Å; L383-F387 HydrophobicContact CD1-CZ 3.97Å; L383-F387 HydrophobicContact CD2-CE2 3.82Å; L383-F387 HydrophobicContact CD2-CZ 4.25Å; L383-F387 HydrophobicContact CG-CD2 3.99Å; L383-F387 HydrophobicContact CG-CE2 3.45Å; L383-F387 VanDerWaalsContact CG-CE2 3.45Å; L383-F387 HydrophobicContact CG-CZ 4.04Å; L383-F387 VanDerWaalsContact O-CD2 3.29Å; L383-F387 WeakPolarHBondContact O-CD2 3.47Å; L383-F387 PolarHBondContact O-N 3.4Å; L383-I418 HydrophobicContact CD2-CD1 4.26Å
384L88.3Confident81.5Confident7 Ų759.9 Ų59.94%0.03729%0.292CS..Hα-helixtrans-62-36.9175.5178.760000112.7W15 V322 E324 P382 F387 A388 I400W15-L384 HydrophobicContact CH2-CB 4.44Å; W15-L384 HydrophobicContact CH2-CD2 3.83Å; W15-L384 HydrophobicContact CH2-CG 3.69Å; W15-L384 HydrophobicContact CZ2-CD2 3.22Å; W15-L384 HydrophobicContact CZ2-CG 3.64Å; W15-L384 HydrophobicContact CZ3-CG 4.37Å; V322-L384 HydrophobicContact CB-CD1 3.9Å; V322-L384 HydrophobicContact CG1-CD1 3.65Å; E324-L384 VanDerWaalsContact O-CD2 3.28Å; E324-L384 WeakPolarHBondContact O-CD2 3.39Å; P382-L384 VanDerWaalsContact C-N 3.29Å; P382-L384 PolarHBondContact O-N 3.27Å; L384-F387 PolarHBondContact O-N 3.1Å; L384-A388 WeakPolarHBondContact O-CB 3.47Å; L384-A388 PolarHBondContact O-N 2.94Å; L384-I400 HydrophobicContact CD1-CD1 4.46Å; L384-I400 HydrophobicContact CD1-CG1 4.39Å
385E87.3Confident82.5Confident82 Ų8254.3 Ų54.338%0.38328%0.278SS..Hα-helixtrans-69.2-37.9176.5-174.5169.6-176.400111.1M381 P382 L383 A388 N389M381-E385 HydrophobicContact CE-CG 4.41Å; P382-E385 HydrophobicContact CB-CB 4.15Å; P382-E385 HydrophobicContact CG-CB 4.5Å; P382-E385 WeakPolarHBondContact O-CB 3.34Å; P382-E385 PolarHBondContact O-N 3.43Å; L383-E385 VanDerWaalsContact C-N 3.3Å; L383-E385 PolarHBondContact O-N 3.36Å; E385-A388 PolarHBondContact O-N 2.94Å; E385-N389 PolarHBondContact O-N 3.38Å; E385-N389 PolarHBondContact O-ND2 3.5Å
386W88.3Confident83.6Confident30 Ų3053.7 Ų53.711%0.11428%0.276CS..Hα-helixtrans-61.5-46.1172.5-179.169.6000112.1L309 L312 M381 P382 L383 A388 N389 S390 F394L309-W386 HydrophobicContact CD2-CH2 4.35Å; L309-W386 HydrophobicContact CD2-CZ3 3.82Å; L312-W386 HydrophobicContact CD2-CH2 4.25Å; L312-W386 HydrophobicContact CD2-CZ3 4.17Å; M381-W386 HydrophobicContact CE-CB 3.74Å; M381-W386 HydrophobicContact CE-CG 4.41Å; M381-W386 HydrophobicContact CG-CB 4.28Å; M381-W386 HydrophobicContact SD-CB 3.71Å; M381-W386 HydrophobicContact SD-CG 4.02Å; P382-W386 PolarHBondContact O-N 3.2Å; L383-W386 HydrophobicContact CD1-CE3 4.01Å; L383-W386 WeakPolarHBondContact O-CB 3.43Å; L383-W386 PolarHBondContact O-N 2.92Å; W386-A388 VanDerWaalsContact C-N 3.35Å; W386-A388 PolarHBondContact O-N 3.42Å; W386-N389 PolarHBondContact O-N 3.41Å; W386-S390 PolarHBondContact NE1-OG 3.33Å; W386-S390 WeakPolarHBondContact O-CB 3.43Å; W386-S390 PolarHBondContact O-N 3.03Å; W386-S390 PolarHBondContact O-OG 3.16Å; W386-F394 AromaticContact CH2-CE2 3.76Å; W386-F394 HydrophobicContact CH2-CE2 3.76Å; W386-F394 AromaticContact CH2-CZ 3.98Å; W386-F394 HydrophobicContact CH2-CZ 3.98Å; W386-F394 AromaticContact CZ2-CE2 3.93Å; W386-F394 HydrophobicContact CZ2-CE2 3.93Å; W386-F394 HydrophobicContact CZ2-CZ 4.14Å
387F88.2Confident84.4Confident1 Ų150.7 Ų50.70%0.00427%0.266CS..Hα-helixtrans-58.6-47.4175.5-73.8-50.9000111L309 L312 L320 V322 L383 L384 N389 S390 Y391 L398 I418L309-F387 HydrophobicContact CD2-CE1 4.2Å; L309-F387 HydrophobicContact CD2-CZ 4.19Å; L312-F387 HydrophobicContact CD2-CD1 4.11Å; L312-F387 HydrophobicContact CD2-CE1 3.77Å; L320-F387 HydrophobicContact CD2-CB 4.32Å; L320-F387 HydrophobicContact CD2-CD1 3.57Å; L320-F387 HydrophobicContact CD2-CD2 4.43Å; L320-F387 HydrophobicContact CD2-CE1 3.91Å; L320-F387 HydrophobicContact CD2-CG 3.88Å; L320-F387 HydrophobicContact CD2-CZ 4.47Å; V322-F387 HydrophobicContact CG1-CD2 4.49Å; V322-F387 HydrophobicContact CG2-CD2 4.12Å; V322-F387 HydrophobicContact CG2-CE2 4.45Å; L383-F387 HydrophobicContact CD1-CD2 4.37Å; L383-F387 HydrophobicContact CD1-CE2 3.84Å; L383-F387 HydrophobicContact CD1-CZ 3.97Å; L383-F387 HydrophobicContact CD2-CE2 3.82Å; L383-F387 HydrophobicContact CD2-CZ 4.25Å; L383-F387 HydrophobicContact CG-CD2 3.99Å; L383-F387 HydrophobicContact CG-CE2 3.45Å; L383-F387 VanDerWaalsContact CG-CE2 3.45Å; L383-F387 HydrophobicContact CG-CZ 4.04Å; L383-F387 VanDerWaalsContact O-CD2 3.29Å; L383-F387 WeakPolarHBondContact O-CD2 3.47Å; L383-F387 PolarHBondContact O-N 3.4Å; L384-F387 PolarHBondContact O-N 3.1Å; F387-N389 PolarHBondContact O-N 3.12Å; F387-N389 VanDerWaalsContact O-N 3.09Å; F387-S390 PolarHBondContact O-N 2.99Å; F387-S390 VanDerWaalsContact O-N 3.14Å; F387-Y391 VanDerWaalsContact O-CB 3.3Å; F387-Y391 WeakPolarHBondContact O-CB 3.47Å; F387-Y391 WeakPolarHBondContact O-CD1 3.35Å; F387-Y391 PolarHBondContact O-N 2.84Å; F387-L398 HydrophobicContact CB-CD1 4.42Å; F387-L398 HydrophobicContact CB-CD2 4.27Å; F387-I418 HydrophobicContact CE2-CD1 3.54Å; F387-I418 HydrophobicContact CZ-CD1 3.79Å
388A87.1Confident85.3Confident1 Ų146.7 Ų46.71%0.00825%0.245CC..Hα-helixtrans-60.1-22.1-179.800000114V12 W15 K16 L384 E385 W386 Y391 L398V12-A388 HydrophobicContact CG1-CB 3.88Å; W15-A388 HydrophobicContact CE3-CB 4.42Å; W15-A388 HydrophobicContact CZ3-CB 4.08Å; K16-A388 WeakPolarHBondContact CE-O 3.5Å; K16-A388 HydrophobicContact CG-CB 4.45Å; K16-A388 PolarHBondContact NZ-O 3.33Å; L384-A388 WeakPolarHBondContact O-CB 3.47Å; L384-A388 PolarHBondContact O-N 2.94Å; E385-A388 PolarHBondContact O-N 2.94Å; W386-A388 VanDerWaalsContact C-N 3.35Å; W386-A388 PolarHBondContact O-N 3.42Å; A388-Y391 WeakPolarHBondContact O-CD1 3.49Å; A388-Y391 VanDerWaalsContact O-CE1 3.24Å; A388-Y391 WeakPolarHBondContact O-CE1 3.45Å; A388-L398 HydrophobicContact CB-CD2 4.21Å
389N86.8Confident86Confident88 Ų8845.1 Ų45.147%0.47124%0.236SC..Hα-helixtrans-97-28.9177.1-67.3-24000113.2K16 E385 W386 F387K16-N389 WeakPolarHBondContact CE-OD1 3.36Å; K16-N389 PolarHBondContact NZ-OD1 3.49Å; E385-N389 PolarHBondContact O-N 3.38Å; E385-N389 PolarHBondContact O-ND2 3.5Å; W386-N389 PolarHBondContact O-N 3.41Å; F387-N389 PolarHBondContact O-N 3.12Å; F387-N389 VanDerWaalsContact O-N 3.09Å
390S85.8Confident86.7Confident13 Ų1342 Ų429%0.09122%0.222CC..Hα-helixtrans-108.8-15.1-169.7-56.10000114.8W386 F387 K392 K393 F394W386-S390 PolarHBondContact NE1-OG 3.33Å; W386-S390 WeakPolarHBondContact O-CB 3.43Å; W386-S390 PolarHBondContact O-N 3.03Å; W386-S390 PolarHBondContact O-OG 3.16Å; F387-S390 PolarHBondContact O-N 2.99Å; F387-S390 VanDerWaalsContact O-N 3.14Å; S390-K392 PolarHBondContact O-N 2.91Å; S390-K392 VanDerWaalsContact O-N 3.07Å; S390-K393 WeakPolarHBondContact O-CB 3.27Å; S390-K393 PolarHBondContact O-N 2.81Å; S390-F394 WeakPolarHBondContact O-CD2 3.18Å
391Y85.3Confident87.2Confident4 Ų438.9 Ų38.92%0.01620%0.2CC..Hα-helixtrans-53.2-36.5-174.772.8-83.6000113.8D9 V12 F387 A388 K393 F394 G395 A396 L398D9-Y391 WeakPolarHBondContact OD1-CE2 3.45Å; D9-Y391 PolarHBondContact OD1-OH 2.89Å; V12-Y391 HydrophobicContact CG1-CE1 3.97Å; F387-Y391 VanDerWaalsContact O-CB 3.3Å; F387-Y391 WeakPolarHBondContact O-CB 3.47Å; F387-Y391 WeakPolarHBondContact O-CD1 3.35Å; F387-Y391 PolarHBondContact O-N 2.84Å; A388-Y391 WeakPolarHBondContact O-CD1 3.49Å; A388-Y391 VanDerWaalsContact O-CE1 3.24Å; A388-Y391 WeakPolarHBondContact O-CE1 3.45Å; Y391-K393 VanDerWaalsContact C-N 3.27Å; Y391-K393 PolarHBondContact O-N 2.89Å; Y391-F394 PolarHBondContact O-N 3.19Å; Y391-G395 PolarHBondContact O-N 2.97Å; Y391-A396 WeakPolarHBondContact CD2-O 3.42Å; Y391-L398 HydrophobicContact CD1-CB 4.21Å; Y391-L398 HydrophobicContact CD1-CD2 4.12Å; Y391-L398 HydrophobicContact CD2-CB 3.87Å; Y391-L398 HydrophobicContact CE2-CB 4.34Å; Y391-L398 HydrophobicContact CG-CB 3.79Å; Y391-L398 HydrophobicContact CG-CD2 4.43Å
392K84.9Confident87.4Confident127 Ų12738.5 Ų38.555%0.55220%0.2SC*.Hα-helixtrans-63.5-28.9178.1-63.9-166.6176.5-1610113.7D9 S390 F394 G395D9-K392 WeakPolarHBondContact OD2-CE 3.03Å; D9-K392 IonicContact OD2-NZ 2.64Å; D9-K392 PolarHBondContact OD2-NZ 3.19Å; S390-K392 PolarHBondContact O-N 2.91Å; S390-K392 VanDerWaalsContact O-N 3.07Å; K392-F394 VanDerWaalsContact C-N 3.3Å; K392-G395 PolarHBondContact O-N 3.41Å
393K86.9Confident87.4Confident172 Ų17240.1 Ų40.175%0.74821%0.206SC*.Hα-helixtrans-69.4-31.6178.8-63.1179.8178.7176.20111.8S390 Y391S390-K393 WeakPolarHBondContact O-CB 3.27Å; S390-K393 PolarHBondContact O-N 2.81Å; Y391-K393 VanDerWaalsContact C-N 3.27Å; Y391-K393 PolarHBondContact O-N 2.89Å
394F84.1Confident87.4Confident60 Ų6047.4 Ų47.426%0.26324%0.238SC..Hα-helixtrans-90-6.1-178.2-60.7-75.7000113.3L312 W386 S390 Y391 K392 A396L312-F394 HydrophobicContact CD1-CB 3.77Å; L312-F394 HydrophobicContact CD1-CD2 4.33Å; L312-F394 HydrophobicContact CD1-CG 4.11Å; L312-F394 HydrophobicContact CD2-CD2 3.67Å; L312-F394 HydrophobicContact CD2-CE2 3.89Å; L312-F394 HydrophobicContact CD2-CG 4.04Å; L312-F394 HydrophobicContact CD2-CZ 4.44Å; L312-F394 HydrophobicContact CG-CB 3.85Å; L312-F394 HydrophobicContact CG-CD1 4.05Å; L312-F394 HydrophobicContact CG-CD2 3.83Å; L312-F394 HydrophobicContact CG-CE2 4.37Å; L312-F394 HydrophobicContact CG-CG 3.65Å; L312-F394 VanDerWaalsContact O-CD1 3.31Å; L312-F394 WeakPolarHBondContact O-CD1 3.25Å; W386-F394 AromaticContact CH2-CE2 3.76Å; W386-F394 HydrophobicContact CH2-CE2 3.76Å; W386-F394 AromaticContact CH2-CZ 3.98Å; W386-F394 HydrophobicContact CH2-CZ 3.98Å; W386-F394 AromaticContact CZ2-CE2 3.93Å; W386-F394 HydrophobicContact CZ2-CE2 3.93Å; W386-F394 HydrophobicContact CZ2-CZ 4.14Å; S390-F394 WeakPolarHBondContact O-CD2 3.18Å; Y391-F394 PolarHBondContact O-N 3.19Å; K392-F394 VanDerWaalsContact C-N 3.3Å; F394-A396 PolarHBondContact O-N 2.83Å
395G83.4Confident87.2Confident41 Ų4147.9 Ų47.942%0.42324%0.241SC..THydrogen-bonded Turntrans70.619.1-178.500000114.2Y391 K392 R423Y391-G395 PolarHBondContact O-N 2.97Å; K392-G395 PolarHBondContact O-N 3.41Å; G395-R423 PolarHBondContact O-NH2 3.03Å
396A86.4Confident87.1Confident6 Ų650.7 Ų50.75%0.0526%0.255CS..PPolyproline II helixtrans-91.9152.917400000110.9L312 V317 Y391 F394L312-A396 HydrophobicContact CD1-CB 3.84Å; V317-A396 HydrophobicContact CB-CB 4.24Å; V317-A396 HydrophobicContact CG1-CB 4.1Å; Y391-A396 WeakPolarHBondContact CD2-O 3.42Å; F394-A396 PolarHBondContact O-N 2.83Å
397C87.6Confident87.1Confident42 Ų4250.9 Ų50.928%0.28426%0.257SS..EExtended strand (participates in β ladder)trans-93.7122.9168.2-69.80000109.7E318 I319 L320E318-C397 PolarHBondContact O-N 3.23Å; I319-C397 CarbonylContact C-O 3.51Å; I319-C397 WeakPolarHBondContact CA-O 3Å; L320-C397 PolarHBondContact N-O 3.37Å
398L90.6Very high87.1Confident0 Ų050.8 Ų50.80%026%0.257CS..EExtended strand (participates in β ladder)trans-90.7124.6178175.365.4000110.7V12 L320 V322 F387 A388 Y391 I400V12-L398 HydrophobicContact CG1-CD2 4.05Å; V12-L398 HydrophobicContact CG2-CB 4.09Å; V12-L398 HydrophobicContact CG2-CD2 3.9Å; V12-L398 HydrophobicContact CG2-CG 3.96Å; V12-L398 WeakPolarHBondContact CG2-O 3.49Å; L320-L398 HydrophobicContact CB-CD1 4.39Å; L320-L398 HydrophobicContact CD2-CD1 3.92Å; L320-L398 HydrophobicContact CG-CD1 4.06Å; V322-L398 HydrophobicContact CB-CD1 4.26Å; V322-L398 HydrophobicContact CG2-CD1 3.62Å; F387-L398 HydrophobicContact CB-CD1 4.42Å; F387-L398 HydrophobicContact CB-CD2 4.27Å; A388-L398 HydrophobicContact CB-CD2 4.21Å; Y391-L398 HydrophobicContact CD1-CB 4.21Å; Y391-L398 HydrophobicContact CD1-CD2 4.12Å; Y391-L398 HydrophobicContact CD2-CB 3.87Å; Y391-L398 HydrophobicContact CE2-CB 4.34Å; Y391-L398 HydrophobicContact CG-CB 3.79Å; Y391-L398 HydrophobicContact CG-CD2 4.43Å; L398-I400 HydrophobicContact CG-CG1 4.39Å
399E89.9Confident87.2Confident40 Ų4052.4 Ų52.419%0.18727%0.267CS..EExtended strand (participates in β ladder)trans-119.3127172.6-75.3-72.2-174.900110.2A8 L286 I319 L320 I321 V322A8-E399 WeakPolarHBondContact CB-OE1 3.49Å; L286-E399 HydrophobicContact CD2-CB 3.5Å; L286-E399 VanDerWaalsContact CD2-CB 3.5Å; L286-E399 HydrophobicContact CD2-CG 3.71Å; I319-E399 HydrophobicContact CG2-CB 4.31Å; I319-E399 HydrophobicContact CG2-CG 3.96Å; L320-E399 PolarHBondContact O-N 3.37Å; I321-E399 WeakPolarHBondContact CA-O 2.93Å; V322-E399 PolarHBondContact N-O 3.48Å
400I90.1Very high87.4Confident35 Ų3553 Ų5318%0.17927%0.268CS..EExtended strand (participates in β ladder)trans-100.5123.3-178-56.8175.3000108.7V12 W15 V322 E324 L384 L398V12-I400 HydrophobicContact CG2-CD1 4.4Å; W15-I400 HydrophobicContact CB-CD1 3.6Å; W15-I400 HydrophobicContact CD2-CD1 3.66Å; W15-I400 HydrophobicContact CE3-CD1 4.07Å; W15-I400 HydrophobicContact CG-CD1 3.41Å; W15-I400 VanDerWaalsContact CG-CD1 3.41Å; V322-I400 WeakPolarHBondContact O-CA 3.36Å; E324-I400 HydrophobicContact CB-CG2 3.79Å; L384-I400 HydrophobicContact CD1-CD1 4.46Å; L384-I400 HydrophobicContact CD1-CG1 4.39Å; L398-I400 HydrophobicContact CG-CG1 4.39Å
401V90.4Very high87.7Confident2 Ų252.4 Ų52.41%0.01226%0.263CS..EExtended strand (participates in β ladder)trans-113.7163.3-175.7-58.50000112.3E283 L286 I287 I321 V322 Y323 E324 F411E283-V401 HydrophobicContact CG-CB 4.05Å; E283-V401 HydrophobicContact CG-CG1 3.98Å; L286-V401 HydrophobicContact CD2-CG1 4.48Å; I287-V401 HydrophobicContact CD1-CB 4.28Å; I287-V401 HydrophobicContact CD1-CG1 4.25Å; I287-V401 HydrophobicContact CG1-CG1 4.4Å; I321-V401 HydrophobicContact CG2-CB 4.42Å; I321-V401 HydrophobicContact CG2-CG1 3.61Å; I321-V401 HydrophobicContact CG2-CG2 3.88Å; V322-V401 PolarHBondContact O-N 3.26Å; Y323-V401 WeakPolarHBondContact CD2-O 3.43Å; E324-V401 PolarHBondContact N-O 3.36Å; V401-F411 HydrophobicContact CG2-CD1 4Å; V401-F411 HydrophobicContact CG2-CE1 4.03Å
402T89.3Confident87.9Confident19 Ų1953.8 Ų53.812%0.11727%0.272CS..  trans-120.5168.1-179.170.40000111.2E283 E324 G408E283-T402 WeakPolarHBondContact OE1-CA 3.47Å; E283-T402 PolarHBondContact OE1-N 2.94Å; E283-T402 PolarHBondContact OE1-OG1 3.31Å; E283-T402 VanDerWaalsContact OE1-OG1 3.04Å; E283-T402 PolarHBondContact OE2-OG1 2.67Å; E283-T402 VanDerWaalsContact OE2-OG1 3.11Å; E324-T402 HydrophobicContact CG-CG2 4.21Å; T402-G408 WeakPolarHBondContact O-CA 3.4Å
403D88.4Confident88.1Confident73 Ų7356 Ų5639%0.3928%0.282SS..SBendtrans-95.26.2178.868.3-22.9000113Y323 V412Y323-D403 HydrophobicContact CE2-CB 3.86Å; D403-V412 HydrophobicContact CB-CG2 4.38Å
404K85.3Confident88.1Confident152 Ų15250.6 Ų50.666%0.66128%0.275SS*.SBendtrans-75.5-25.4-175-65.8-177.3180175.70113.3F280F280-K404 HydrophobicContact CD1-CB 4.47Å; F280-K404 HydrophobicContact CE1-CB 3.85Å; F280-K404 HydrophobicContact CE1-CD 3.76Å; F280-K404 HydrophobicContact CE1-CG 4.38Å; F280-K404 HydrophobicContact CZ-CD 3.81Å
405S85.1Confident88.2Confident17 Ų1750.2 Ų50.212%0.11927%0.273CS..SBendtrans-85.4153.1174.563.90000110.5E407 G408 S409S405-E407 VanDerWaalsContact C-N 3.28Å; S405-E407 PolarHBondContact O-N 3.25Å; S405-G408 PolarHBondContact O-N 3.28Å; S405-G408 WeakPolarHBondContact OG-CA 3.34Å; S405-G408 PolarHBondContact OG-N 3.26Å; S405-S409 PolarHBondContact O-N 2.97Å
406Q85.8Confident88.2Confident142 Ų14251 Ų5166%0.66428%0.281SS*.Hα-helixtrans-61.9-42.1176.5-177178-200110.6S409 Q410Q406-S409 PolarHBondContact O-N 3.06Å; Q406-Q410 WeakPolarHBondContact O-CG 3.35Å; Q406-Q410 PolarHBondContact O-N 2.9Å; Q406-Q410 VanDerWaalsContact O-N 3.1Å
407E88Confident88.3Confident33 Ų3350.8 Ų50.815%0.15428%0.279CS..Hα-helixtrans-65.3-42.2176.2-62.780.9178.700111.6K284 I287 F291 S405 Q410 F411K284-E407 WeakPolarHBondContact CD-OE1 3.5Å; K284-E407 WeakPolarHBondContact CE-OE1 3.48Å; K284-E407 HydrophobicContact CG-CG 4.27Å; K284-E407 IonicContact NZ-OE1 3.24Å; K284-E407 PolarHBondContact NZ-OE1 2.98Å; K284-E407 IonicContact NZ-OE2 2.71Å; I287-E407 HydrophobicContact CB-CB 4.24Å; I287-E407 HydrophobicContact CG2-CB 3.85Å; F291-E407 HydrophobicContact CE2-CB 4.16Å; S405-E407 VanDerWaalsContact C-N 3.28Å; S405-E407 PolarHBondContact O-N 3.25Å; E407-Q410 WeakPolarHBondContact O-CB 3.38Å; E407-Q410 PolarHBondContact O-N 3.27Å; E407-F411 PolarHBondContact O-N 3.03Å
408G88.8Confident88.4Confident0 Ų048.8 Ų48.80%027%0.266CS..Hα-helixtrans-61.7-42.1173.900000112.8T402 S405 Q410 F411 V412T402-G408 WeakPolarHBondContact O-CA 3.4Å; S405-G408 PolarHBondContact O-N 3.28Å; S405-G408 WeakPolarHBondContact OG-CA 3.34Å; S405-G408 PolarHBondContact OG-N 3.26Å; G408-Q410 VanDerWaalsContact C-N 3.31Å; G408-Q410 PolarHBondContact O-N 3.5Å; G408-F411 WeakPolarHBondContact O-CB 3.36Å; G408-F411 PolarHBondContact O-N 3.48Å; G408-V412 WeakPolarHBondContact O-CG2 3.4Å; G408-V412 PolarHBondContact O-N 3.33Å
409S89.4Confident88.5Confident34 Ų3448.8 Ų48.824%0.23827%0.266CS..Hα-helixtrans-62.9-38.1175.4-160.80000112.3S405 Q406 K413S405-S409 PolarHBondContact O-N 2.97Å; Q406-S409 PolarHBondContact O-N 3.06Å; S409-K413 WeakPolarHBondContact O-CB 3.39Å; S409-K413 WeakPolarHBondContact O-CG 3.41Å; S409-K413 PolarHBondContact O-N 3.21Å
410Q90.3Very high88.6Confident101 Ų10146.9 Ų46.947%0.47226%0.257SS..Hα-helixtrans-66.4-41.2173.2-73176.8-10.700112F291 Q406 E407 G408 G414F291-Q410 HydrophobicContact CE2-CB 4.31Å; F291-Q410 HydrophobicContact CZ-CB 3.98Å; Q406-Q410 WeakPolarHBondContact O-CG 3.35Å; Q406-Q410 PolarHBondContact O-N 2.9Å; Q406-Q410 VanDerWaalsContact O-N 3.1Å; E407-Q410 WeakPolarHBondContact O-CB 3.38Å; E407-Q410 PolarHBondContact O-N 3.27Å; G408-Q410 VanDerWaalsContact C-N 3.31Å; G408-Q410 PolarHBondContact O-N 3.5Å; Q410-G414 WeakPolarHBondContact O-CA 3.47Å; Q410-G414 PolarHBondContact O-N 3.24Å
411F91.1Very high88.7Confident0 Ų045.3 Ų45.30%025%0.249CC..Hα-helixtrans-61.1-47176.7180-104.2000111.9I287 Y290 F291 I321 V401 E407 G408 F415I287-F411 HydrophobicContact CD1-CB 4.46Å; I287-F411 HydrophobicContact CG2-CB 4.27Å; Y290-F411 HydrophobicContact CD1-CD2 4.11Å; Y290-F411 HydrophobicContact CD1-CE2 4.25Å; Y290-F411 AromaticContact CE1-CD2 3.84Å; Y290-F411 HydrophobicContact CE1-CD2 3.84Å; Y290-F411 AromaticContact CE1-CE2 3.85Å; Y290-F411 HydrophobicContact CE1-CE2 3.85Å; F291-F411 HydrophobicContact CZ-CB 4.37Å; I321-F411 HydrophobicContact CB-CZ 4.02Å; I321-F411 HydrophobicContact CG2-CE1 3.81Å; I321-F411 HydrophobicContact CG2-CE2 4.32Å; I321-F411 HydrophobicContact CG2-CZ 3.69Å; V401-F411 HydrophobicContact CG2-CD1 4Å; V401-F411 HydrophobicContact CG2-CE1 4.03Å; E407-F411 PolarHBondContact O-N 3.03Å; G408-F411 WeakPolarHBondContact O-CB 3.36Å; G408-F411 PolarHBondContact O-N 3.48Å; F411-F415 HydrophobicContact CD2-CB 4.43Å; F411-F415 HydrophobicContact CD2-CD2 4.45Å; F411-F415 WeakPolarHBondContact O-CB 3.23Å; F411-F415 PolarHBondContact O-N 2.99Å
412V89.8Confident88.8Confident34 Ų3445.3 Ų45.321%0.20625%0.249CC..Hα-helixtrans-66.5-49179.7176.60000111.7Y323 D403 G408 G416 G417Y323-V412 HydrophobicContact CD1-CG1 4.15Å; Y323-V412 HydrophobicContact CD1-CG2 4.03Å; Y323-V412 HydrophobicContact CD2-CG2 3.58Å; Y323-V412 HydrophobicContact CE1-CG1 4.17Å; Y323-V412 HydrophobicContact CE1-CG2 4.39Å; Y323-V412 HydrophobicContact CE2-CG2 4.02Å; Y323-V412 HydrophobicContact CG-CG2 3.61Å; D403-V412 HydrophobicContact CB-CG2 4.38Å; G408-V412 WeakPolarHBondContact O-CG2 3.4Å; G408-V412 PolarHBondContact O-N 3.33Å; V412-G416 WeakPolarHBondContact O-CA 3.41Å; V412-G416 PolarHBondContact O-N 3.17Å; V412-G417 PolarHBondContact O-N 2.98Å
413K88.6Confident88.8Confident174 Ų17450.7 Ų50.776%0.75727%0.267SS*.Hα-helixtrans-76.2-32.4-176.3-68.9179.6-179.4174.90113.9S409S409-K413 WeakPolarHBondContact O-CB 3.39Å; S409-K413 WeakPolarHBondContact O-CG 3.41Å; S409-K413 PolarHBondContact O-N 3.21Å
414G87Confident88.9Confident58 Ų5852.7 Ų52.760%0.59827%0.27SS*.Hα-helixtrans-87.6-37.6-176.300000113.6Q410Q410-G414 WeakPolarHBondContact O-CA 3.47Å; Q410-G414 PolarHBondContact O-N 3.24Å
415F86.3Confident89Confident52 Ų5253.8 Ų53.823%0.22827%0.27CS..Hα-helixtrans-119.811.3-170.4-59.5-83.8000113.4Y290 F291 I294 F303 F411 G417Y290-F415 HydrophobicContact CE1-CD2 4.4Å; Y290-F415 HydrophobicContact CE1-CE2 4.48Å; F291-F415 HydrophobicContact CD1-CE2 4.33Å; F291-F415 HydrophobicContact CE1-CD2 4.15Å; F291-F415 AromaticContact CE1-CE2 3.59Å; F291-F415 HydrophobicContact CE1-CE2 3.59Å; F291-F415 HydrophobicContact CE1-CZ 4.43Å; F291-F415 HydrophobicContact CZ-CE2 4.47Å; I294-F415 HydrophobicContact CD1-CE1 3.97Å; I294-F415 HydrophobicContact CD1-CE2 4.43Å; I294-F415 HydrophobicContact CD1-CZ 3.72Å; F303-F415 HydrophobicContact CB-CB 4.14Å; F303-F415 HydrophobicContact CB-CD1 3.68Å; F303-F415 HydrophobicContact CB-CG 4.34Å; F303-F415 HydrophobicContact CD1-CD1 4.27Å; F303-F415 HydrophobicContact CD1-CE1 4.49Å; F303-F415 HydrophobicContact CD2-CD1 4.25Å; F303-F415 AromaticContact CG-CD1 3.82Å; F303-F415 HydrophobicContact CG-CD1 3.82Å; F303-F415 HydrophobicContact CG-CE1 4.46Å; F411-F415 HydrophobicContact CD2-CB 4.43Å; F411-F415 HydrophobicContact CD2-CD2 4.45Å; F411-F415 WeakPolarHBondContact O-CB 3.23Å; F411-F415 PolarHBondContact O-N 2.99Å; F415-G417 VanDerWaalsContact C-N 3.26Å; F415-G417 PolarHBondContact O-N 3.04Å
416G84.8Confident88.9Confident57 Ų5753.8 Ų53.859%0.58827%0.269SS*.THydrogen-bonded Turntrans72.913.9176.800000114.6V412 I418V412-G416 WeakPolarHBondContact O-CA 3.41Å; V412-G416 PolarHBondContact O-N 3.17Å; G416-I418 VanDerWaalsContact C-N 3.27Å; G416-I418 PolarHBondContact O-N 3.33Å
417G87Confident88.6Confident1 Ų151.1 Ų51.11%0.0126%0.26CS..THydrogen-bonded Turntrans73.612.5175.200000115.2Y323 V412 F415Y323-G417 VanDerWaalsContact CB-O 3.29Å; Y323-G417 WeakPolarHBondContact CB-O 3.45Å; Y323-G417 PolarHBondContact N-O 2.67Å; V412-G417 PolarHBondContact O-N 2.98Å; F415-G417 VanDerWaalsContact C-N 3.26Å; F415-G417 PolarHBondContact O-N 3.04Å
418I91.4Very high87.9Confident1 Ų150.9 Ų50.91%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-137.1134.8174.2-173.9164.1000110.5G304 V305 T308 L326 L383 F387 G416G304-I418 PolarHBondContact N-O 3.47Å; V305-I418 HydrophobicContact CG2-CG2 3.9Å; T308-I418 HydrophobicContact CG2-CD1 4.23Å; T308-I418 HydrophobicContact CG2-CG1 4Å; L326-I418 HydrophobicContact CD1-CB 3.85Å; L326-I418 HydrophobicContact CD1-CG2 4.44Å; L383-I418 HydrophobicContact CD2-CD1 4.26Å; F387-I418 HydrophobicContact CE2-CD1 3.54Å; F387-I418 HydrophobicContact CZ-CD1 3.79Å; G416-I418 VanDerWaalsContact C-N 3.27Å; G416-I418 PolarHBondContact O-N 3.33Å
419G91.6Very high86.8Confident0 Ų057.6 Ų57.60%029%0.289CS..EExtended strand (participates in β ladder)trans-176-177.2175.600000111.7C302 I321C302-G419 CarbonylContact O-C 3.57Å; C302-G419 WeakPolarHBondContact O-CA 3.35Å; I321-G419 CarbonylContact C-O 3.55Å; I321-G419 PolarHBondContact N-O 3.38Å; I321-G419 PolarHBondContact O-N 2.99Å
420G91.8Very high85.4Confident0 Ų058.2 Ų58.20%030%0.296CS..EExtended strand (participates in β ladder)trans-159.4156.1-179.200000113.3Y301 C302 I319Y301-G420 WeakPolarHBondContact CA-O 3.42Å; C302-G420 PolarHBondContact N-O 3.33Å; C302-G420 PolarHBondContact O-N 3.3Å; C302-G420 PolarHBondContact SG-N 2.99Å; C302-G420 VanDerWaalsContact SG-N 3.39Å; I319-G420 CarbonylContact O-C 3.56Å; I319-G420 WeakPolarHBondContact O-CA 3.34Å
421I93.2Very high83.8Confident1 Ų155.7 Ų55.71%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-93.1124168.9-60.7173.6000107.2R289 Y290 E318 I319 I321R289-I421 HydrophobicContact CG-CD1 4.2Å; Y290-I421 HydrophobicContact CD2-CG1 4.09Å; E318-I421 WeakPolarHBondContact CB-O 3.45Å; E318-I421 PolarHBondContact N-O 3.3Å; I319-I421 HydrophobicContact CB-CB 4.4Å; I319-I421 HydrophobicContact CD1-CD1 4.41Å; I319-I421 PolarHBondContact N-O 3.07Å; I319-I421 PolarHBondContact O-N 3.05Å; I321-I421 HydrophobicContact CD1-CD1 4.42Å; I321-I421 HydrophobicContact CD1-CG1 4.4Å
422L92.6Very high82Confident2 Ų260 Ų601%0.0131%0.306CS..EExtended strand (participates in β ladder)trans-92.7149.2-177.7-53.4177000110.9K300 C302 A311 A316 V317 Y424 V426 F428K300-L422 PolarHBondContact O-N 2.82Å; C302-L422 HydrophobicContact CB-CD1 4.37Å; C302-L422 HydrophobicContact CB-CD2 4.26Å; C302-L422 HydrophobicContact CB-CG 4.5Å; A311-L422 HydrophobicContact CB-CD2 3.81Å; A316-L422 HydrophobicContact CB-CD2 4.31Å; A316-L422 CarbonylContact O-C 3.56Å; A316-L422 WeakPolarHBondContact O-CA 3.48Å; V317-L422 HydrophobicContact CB-CD2 4.44Å; V317-L422 HydrophobicContact CG2-CD2 3.79Å; L422-Y424 WeakPolarHBondContact CB-O 3.17Å; L422-V426 HydrophobicContact CD1-CB 4.05Å; L422-V426 HydrophobicContact CD1-CG2 4.01Å; L422-F428 HydrophobicContact CD1-CE2 3.95Å; L422-F428 HydrophobicContact CD1-CZ 3.86Å
423R89.6Confident80Confident132 Ų13265.8 Ų65.850%0.49833%0.325SS..SBendtrans-70.8-36175.7-63.3176.5-173.2-160.40111.8A316 E318 G395A316-R423 PolarHBondContact O-N 3.01Å; E318-R423 HydrophobicContact CB-CG 3.71Å; E318-R423 HydrophobicContact CG-CG 4.3Å; G395-R423 PolarHBondContact O-NH2 3.03Å
424Y88.6Confident77.7Confident115 Ų11564.4 Ų64.445%0.45132%0.321SS..SBendtrans-139.5162.3-178.554.1-91.3000110A316 L422 V426A316-Y424 HydrophobicContact CB-CE1 4.01Å; A316-Y424 HydrophobicContact CB-CE2 3.98Å; L422-Y424 WeakPolarHBondContact CB-O 3.17Å; Y424-V426 HydrophobicContact CD2-CG2 4.02Å; Y424-V426 HydrophobicContact CE2-CG2 3.81Å; Y424-V426 PolarHBondContact O-N 2.74Å
425R87.6Confident75.4Confident175 Ų17563.7 Ų63.766%0.6631%0.314SS*.  trans-68129.4179.2180173.6176.9-179.4-0.2109.8G299G299-R425 WeakPolarHBondContact O-CA 3.07Å
426V83.6Confident73Confident18 Ų1868.1 Ų68.111%0.10934%0.335CS..  trans-117.8136173.6-179.90000107.6M314 A316 L422 Y424 F428 I431M314-V426 HydrophobicContact SD-CG1 4.29Å; A316-V426 HydrophobicContact CB-CG2 3.8Å; L422-V426 HydrophobicContact CD1-CB 4.05Å; L422-V426 HydrophobicContact CD1-CG2 4.01Å; Y424-V426 HydrophobicContact CD2-CG2 4.02Å; Y424-V426 HydrophobicContact CE2-CG2 3.81Å; Y424-V426 PolarHBondContact O-N 2.74Å; V426-F428 HydrophobicContact CB-CE1 4.41Å; V426-F428 HydrophobicContact CB-CE2 4.09Å; V426-F428 HydrophobicContact CB-CZ 3.93Å; V426-F428 HydrophobicContact CG1-CD1 4.17Å; V426-F428 HydrophobicContact CG1-CE1 3.83Å; V426-F428 HydrophobicContact CG1-CE2 4.26Å; V426-F428 HydrophobicContact CG1-CZ 3.87Å; V426-I431 HydrophobicContact CG1-CD1 4.05Å
427D80Confident70.7Confident86 Ų8671 Ų7146%0.4634%0.337SS..  trans-100.995.1176.5-163.9-15000109.2Q429 A430 I431D427-Q429 VanDerWaalsContact C-N 3.28Å; D427-Q429 PolarHBondContact O-N 3.35Å; D427-Q429 PolarHBondContact OD1-N 2.88Å; D427-A430 HydrophobicContact CB-CB 4.15Å; D427-A430 PolarHBondContact O-N 3.33Å; D427-I431 WeakPolarHBondContact O-CD1 3.35Å
428F72.6Confident68.3Low27 Ų2778 Ų7812%0.11837%0.374CS..Hα-helixtrans-67.7-29.9-177.6-63.7-76.2000112.2C302 D307 A311 L422 V426 I431 E432C302-F428 HydrophobicContact CB-CE2 3.95Å; C302-F428 HydrophobicContact CB-CZ 3.65Å; D307-F428 HydrophobicContact CB-CD1 3.82Å; D307-F428 HydrophobicContact CB-CE1 3.95Å; D307-F428 HydrophobicContact CB-CG 4.21Å; D307-F428 HydrophobicContact CB-CZ 4.45Å; D307-F428 WeakPolarHBondContact O-CE1 3.35Å; A311-F428 HydrophobicContact CB-CE1 3.97Å; A311-F428 HydrophobicContact CB-CZ 3.97Å; L422-F428 HydrophobicContact CD1-CE2 3.95Å; L422-F428 HydrophobicContact CD1-CZ 3.86Å; V426-F428 HydrophobicContact CB-CE1 4.41Å; V426-F428 HydrophobicContact CB-CE2 4.09Å; V426-F428 HydrophobicContact CB-CZ 3.93Å; V426-F428 HydrophobicContact CG1-CD1 4.17Å; V426-F428 HydrophobicContact CG1-CE1 3.83Å; V426-F428 HydrophobicContact CG1-CE2 4.26Å; V426-F428 HydrophobicContact CG1-CZ 3.87Å; F428-I431 PolarHBondContact O-N 2.73Å; F428-E432 PolarHBondContact O-N 3.34Å
429Q66.2Low65.9Low142 Ų14284 Ų8466%0.66440%0.403SS*.Hα-helixtrans-67.3-42.7178.7-66.6-179.4-12.100110.9D427 I431 E432 Y433D427-Q429 VanDerWaalsContact C-N 3.28Å; D427-Q429 PolarHBondContact O-N 3.35Å; D427-Q429 PolarHBondContact OD1-N 2.88Å; Q429-I431 PolarHBondContact O-N 2.9Å; Q429-E432 PolarHBondContact O-N 3.41Å; Q429-Y433 WeakPolarHBondContact O-CD2 3.45Å; Q429-Y433 PolarHBondContact O-N 3.23Å
430A59Low63.6Low46 Ų4691.2 Ų91.238%0.3844%0.44SS..Hα-helixtrans-61.8-27.6177.800000113.3D427 Q434D427-A430 HydrophobicContact CB-CB 4.15Å; D427-A430 PolarHBondContact O-N 3.33Å; A430-Q434 WeakPolarHBondContact O-CG 3.3Å; A430-Q434 PolarHBondContact O-N 2.89Å
431I57.5Low61Low48 Ų48100.3 Ų100.325%0.24648%0.48CS..Hα-helixtrans-80.3-34.8179.6-65.1156.1000111.4K310 M314 V426 D427 F428 Q429 G435K310-I431 HydrophobicContact CD-CG2 4.35Å; M314-I431 HydrophobicContact CE-CD1 3.49Å; M314-I431 VanDerWaalsContact CE-CD1 3.49Å; M314-I431 HydrophobicContact CE-CG1 4.37Å; M314-I431 HydrophobicContact CE-CG2 4.49Å; M314-I431 HydrophobicContact SD-CD1 4.14Å; V426-I431 HydrophobicContact CG1-CD1 4.05Å; D427-I431 WeakPolarHBondContact O-CD1 3.35Å; F428-I431 PolarHBondContact O-N 2.73Å; Q429-I431 PolarHBondContact O-N 2.9Å; I431-G435 PolarHBondContact O-N 3.47Å
432E54Low58.5Low92 Ų92107.9 Ų107.943%0.4352%0.521SS..Hα-helixtrans-64.7-42.7172.5-73.6-177.5157.800111.6F428 Q429 Q434 G435 E436F428-E432 PolarHBondContact O-N 3.34Å; Q429-E432 PolarHBondContact O-N 3.41Å; E432-Q434 PolarHBondContact O-N 2.74Å; E432-G435 PolarHBondContact O-N 3.3Å; E432-E436 PolarHBondContact O-N 3.15Å
433Y46.8Very low56.3Low155 Ų155114.8 Ų114.861%0.60856%0.557SS**Hα-helixtrans-64.9-37.3176.3-85.4-90.1000113Q429 G435 E436 D437Q429-Y433 WeakPolarHBondContact O-CD2 3.45Å; Q429-Y433 PolarHBondContact O-N 3.23Å; Y433-G435 VanDerWaalsContact C-N 3.28Å; Y433-G435 PolarHBondContact O-N 3.04Å; Y433-E436 PolarHBondContact O-N 2.62Å; Y433-D437 WeakPolarHBondContact O-CB 3.43Å; Y433-D437 PolarHBondContact O-N 3.08Å
434Q41.3Very low54.3Low145 Ų145115.7 Ų115.768%0.67857%0.571SS**Hα-helixtrans-68.6-24.6175.1-80.4-177.2-16.300113.7A430 E432A430-Q434 WeakPolarHBondContact O-CG 3.3Å; A430-Q434 PolarHBondContact O-N 2.89Å; E432-Q434 PolarHBondContact O-N 2.74Å
435G37.8Very low52.3Low43 Ų43117.7 Ų117.744%0.44359%0.59SS.*Hα-helixtrans-78-23.4174.300000113.8I431 E432 Y433I431-G435 PolarHBondContact O-N 3.47Å; E432-G435 PolarHBondContact O-N 3.3Å; Y433-G435 VanDerWaalsContact C-N 3.28Å; Y433-G435 PolarHBondContact O-N 3.04Å
436E36.5Very low50.2Low145 Ų145123.6 Ų123.668%0.67861%0.614SS**Hα-helixtrans-90.7-29.6176.1-70.3-173.2159.900112.8E432 Y433 D438 E439E432-E436 PolarHBondContact O-N 3.15Å; Y433-E436 PolarHBondContact O-N 2.62Å; E436-D438 PolarHBondContact O-N 2.95Å; E436-E439 PolarHBondContact O-N 3.12Å
437D35.6Very low48.5Very low116 Ų116128.9 Ų128.962%0.6264%0.64SS**THydrogen-bonded Turntrans-81.5-6.1-174-81.4-22.5000115.5Y433 E439Y433-D437 WeakPolarHBondContact O-CB 3.43Å; Y433-D437 PolarHBondContact O-N 3.08Å; D437-E439 PolarHBondContact O-N 3.32Å
438D37.2Very low46.9Very low149 Ų149131.2 Ų131.280%0.79765%0.649SS**THydrogen-bonded Turntrans-79.1-0.8171.2-89.9-10.4000112.8E436E436-D438 PolarHBondContact O-N 2.95Å
439E41.4Very low45.4Very low128 Ų128136.9 Ų136.960%0.59868%0.679SS**SBendtrans-109.858.4171-69.5-166.6169.900112.9E436 D437E436-E439 PolarHBondContact O-N 3.12Å; D437-E439 PolarHBondContact O-N 3.32Å
440L42.2Very low44.2Very low150 Ų150136.6 Ų136.679%0.78568%0.679SS**  trans172.190.4144.5-11975.7000111.8
441F37.2Very low43.3Very low192 Ų192142.3 Ų142.384%0.84270%0.698SS**  trans-146.470.7146.9-87.2-77.4000108.9L443F441-L443 VanDerWaalsContact C-N 3.32Å; F441-L443 PolarHBondContact O-N 3.11Å
442D40.2Very low42.4Very low160 Ų160148.6 Ų148.686%0.85673%0.728SS**  trans-64.398.5156.9-99.9-21.6000107.5D444D442-D444 PolarHBondContact O-N 2.99Å; D442-D444 VanDerWaalsContact O-N 3.16Å
443L47.1Very low41.5Very low147 Ų147152.6 Ų152.677%0.7775%0.75SS**  trans-81.334176-94.3164000112.3F441F441-L443 VanDerWaalsContact C-N 3.32Å; F441-L443 PolarHBondContact O-N 3.11Å
444D46.9Very low41.1Very low150 Ų150152.5 Ų152.580%0.80276%0.76SS**  trans-106.914.9-177.7-95.85.1000114.3D442D442-D444 PolarHBondContact O-N 2.99Å; D442-D444 VanDerWaalsContact O-N 3.16Å
445D47Very low41.1Very low158 Ų158153.1 Ų153.185%0.84577%0.767SS**  trans-127.377.7166.3-92.7-27.2000111.1
446Y44.1Very low41.4Very low299 Ų299163.1 Ų163.1100%1.17380%0.797SS**  trans-147.10156.2-123.1-81.4000113.5

Retrieved 446 of 446 residues in 388.5 ms (Link to these results)

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