A0A077ZLR5_TRITR Loading...

Peptidase M20 and M20 dimer domain containing pro tein

AlphaFold DB , UniProt , Accession A0A077ZLR5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 391 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
1M32.2Very low56.9Low239 Ų239120.4 Ų120.4100%1.17761%0.612SS**  093.30-83.7179-174.400106.3E3M1-E3 PolarHBondContact O-N 3.23Å; M1-E3 VanDerWaalsContact O-N 3.16Å
2I41.8Very low60.3Low148 Ų148117.2 Ų117.276%0.75960%0.603SS**  trans-69.5109.3171.9-65.9169.4000104.8
3E37.3Very low63.3Low169 Ų169110.8 Ų110.879%0.7957%0.569SS**  trans-55139.3178-78.3178.4143.400109.2M1 I5M1-E3 PolarHBondContact O-N 3.23Å; M1-E3 VanDerWaalsContact O-N 3.16Å; E3-I5 PolarHBondContact O-N 2.89Å
4M43Very low65.8Low147 Ų147102.9 Ų102.972%0.72453%0.528SS*.  trans-60.672.7178.9-68.6170.4139.400111.3N6 K7M4-N6 VanDerWaalsContact C-N 3.25Å; M4-N6 PolarHBondContact O-N 3.16Å; M4-K7 HydrophobicContact CE-CD 4.16Å
5I40.3Very low68Low152 Ų15297.5 Ų97.578%0.77950%0.502SS*.  trans-62.796.6164-63.2177000105.8E3 K7E3-I5 PolarHBondContact O-N 2.89Å; I5-K7 PolarHBondContact O-N 2.82Å
6N43.3Very low69.9Low99 Ų9997.4 Ų97.453%0.52950%0.503SS..  trans39.265.8164.7-72.4-20.8000117.2M4 T8 T9M4-N6 VanDerWaalsContact C-N 3.25Å; M4-N6 PolarHBondContact O-N 3.16Å; N6-T8 PolarHBondContact O-N 3.18Å; N6-T9 HydrophobicContact CB-CG2 4.06Å; N6-T9 PolarHBondContact O-N 3.39Å; N6-T9 PolarHBondContact O-OG1 3.47Å; N6-T9 VanDerWaalsContact O-OG1 3.05Å
7K49.5Very low71.6Confident128 Ų12891.9 Ų91.956%0.55747%0.474SS*.Hα-helixtrans-48.4-23.5163.4-70.7-171.4173.8-170.50113.6M4 I5 T9M4-K7 HydrophobicContact CE-CD 4.16Å; I5-K7 PolarHBondContact O-N 2.82Å; K7-T9 VanDerWaalsContact C-N 3.33Å; K7-T9 PolarHBondContact O-N 3.25Å
8T56.3Low73.1Confident106 Ų10686.9 Ų86.965%0.6545%0.449SS*.Hα-helixtrans-71.9-14.4178.234.70000115.1N6 T12N6-T8 PolarHBondContact O-N 3.18Å; T8-T12 PolarHBondContact O-OG1 3.44Å
9T88.3Confident74.4Confident85 Ų8586.3 Ų86.352%0.52144%0.44SS..Hα-helixtrans-91.7-41.7-175.954.10000113.8N6 K7 T12 E13N6-T9 HydrophobicContact CB-CG2 4.06Å; N6-T9 PolarHBondContact O-N 3.39Å; N6-T9 PolarHBondContact O-OG1 3.47Å; N6-T9 VanDerWaalsContact O-OG1 3.05Å; K7-T9 VanDerWaalsContact C-N 3.33Å; K7-T9 PolarHBondContact O-N 3.25Å; T9-T12 PolarHBondContact O-N 2.75Å; T9-E13 PolarHBondContact O-N 3.16Å; T9-E13 VanDerWaalsContact O-N 3.13Å
10L96.1Very high75.6Confident16 Ų1685.8 Ų85.88%0.08444%0.435CS..Hα-helixtrans-67.4-49.8-176.4-179.858.9000111.5T12 E13 L14 K111 L112 E374L10-T12 VanDerWaalsContact C-N 3.26Å; L10-T12 PolarHBondContact O-N 3.36Å; L10-E13 PolarHBondContact O-N 3.42Å; L10-E13 VanDerWaalsContact O-N 3.14Å; L10-L14 HydrophobicContact CD1-CD1 4.13Å; L10-L14 HydrophobicContact CD1-CD2 4.12Å; L10-L14 HydrophobicContact CD1-CG 3.9Å; L10-L14 HydrophobicContact CG-CD1 3.98Å; L10-L14 HydrophobicContact CG-CG 4.15Å; L10-L14 VanDerWaalsContact O-CG 3.31Å; L10-L14 WeakPolarHBondContact O-CG 3.45Å; L10-L14 PolarHBondContact O-N 2.78Å; L10-K111 HydrophobicContact CD1-CD 4.01Å; L10-L112 HydrophobicContact CD2-CD1 3.94Å; L10-L112 HydrophobicContact CD2-CD2 3.81Å; L10-L112 HydrophobicContact CD2-CG 3.87Å; L10-E374 HydrophobicContact CD2-CG 4.19Å
11Q97.9Very high76.7Confident35 Ų3581.8 Ų81.816%0.16442%0.415CS..Hα-helixtrans-56.4-40.3179177.959.94000112.4L14 V15 E370 E374Q11-L14 PolarHBondContact O-N 3.27Å; Q11-V15 WeakPolarHBondContact O-CG2 3.47Å; Q11-V15 PolarHBondContact O-N 2.91Å; Q11-E370 PolarHBondContact NE2-O 3.39Å; Q11-E374 HydrophobicContact CB-CB 4.14Å
12T98.1Very high79.9Confident82 Ų8270.7 Ų70.750%0.50336%0.36SS..Hα-helixtrans-64.8-46176.9-63.90000111.8T8 T9 L10 L14 V15 D16T8-T12 PolarHBondContact O-OG1 3.44Å; T9-T12 PolarHBondContact O-N 2.75Å; L10-T12 VanDerWaalsContact C-N 3.26Å; L10-T12 PolarHBondContact O-N 3.36Å; T12-L14 VanDerWaalsContact C-N 3.33Å; T12-L14 PolarHBondContact O-N 2.98Å; T12-V15 WeakPolarHBondContact O-CB 3.4Å; T12-V15 PolarHBondContact O-N 3.23Å; T12-D16 PolarHBondContact O-N 3.44Å
13E98.3Very high82.6Confident34 Ų3469.3 Ų69.316%0.15935%0.346CS..Hα-helixtrans-61-41.9176.2179.8-177.2170.800112.2T9 L10 V15 D16 I17 Y45 K111T9-E13 PolarHBondContact O-N 3.16Å; T9-E13 VanDerWaalsContact O-N 3.13Å; L10-E13 PolarHBondContact O-N 3.42Å; L10-E13 VanDerWaalsContact O-N 3.14Å; E13-V15 VanDerWaalsContact C-N 3.35Å; E13-D16 PolarHBondContact O-N 3.06Å; E13-I17 HydrophobicContact CG-CD1 4.01Å; E13-I17 WeakPolarHBondContact O-CG1 3.22Å; E13-I17 PolarHBondContact O-N 2.94Å; E13-Y45 WeakPolarHBondContact OE1-CE1 3.49Å; E13-Y45 VanDerWaalsContact OE1-CZ 3.31Å; E13-Y45 PolarHBondContact OE1-OH 2.94Å; E13-K111 VanDerWaalsContact CD-NZ 3.29Å; E13-K111 IonicContact OE1-NZ 3.56Å; E13-K111 PolarHBondContact OE1-NZ 3.32Å; E13-K111 IonicContact OE2-NZ 3.85Å; E13-K111 PolarHBondContact OE2-NZ 2.61Å
14L98.6Very high85.5Confident0 Ų065 Ų650%033%0.328CS..Hα-helixtrans-65.5-38.2177.2-65.3-174.5000111.7L10 Q11 T12 D16 I17 R18 T104 L373 A377L10-L14 HydrophobicContact CD1-CD1 4.13Å; L10-L14 HydrophobicContact CD1-CD2 4.12Å; L10-L14 HydrophobicContact CD1-CG 3.9Å; L10-L14 HydrophobicContact CG-CD1 3.98Å; L10-L14 HydrophobicContact CG-CG 4.15Å; L10-L14 VanDerWaalsContact O-CG 3.31Å; L10-L14 WeakPolarHBondContact O-CG 3.45Å; L10-L14 PolarHBondContact O-N 2.78Å; Q11-L14 PolarHBondContact O-N 3.27Å; T12-L14 VanDerWaalsContact C-N 3.33Å; T12-L14 PolarHBondContact O-N 2.98Å; L14-D16 VanDerWaalsContact C-N 3.34Å; L14-I17 HydrophobicContact CD2-CD1 4.28Å; L14-I17 PolarHBondContact O-N 2.94Å; L14-R18 WeakPolarHBondContact O-CB 3.31Å; L14-R18 PolarHBondContact O-N 3.16Å; L14-T104 HydrophobicContact CB-CG2 3.71Å; L14-T104 HydrophobicContact CD2-CG2 3.93Å; L14-T104 HydrophobicContact CG-CG2 4.31Å; L14-T104 WeakPolarHBondContact O-CG2 3.47Å; L14-L373 HydrophobicContact CB-CB 3.91Å; L14-L373 HydrophobicContact CB-CD1 4.17Å; L14-L373 HydrophobicContact CD1-CB 4.1Å; L14-A377 HydrophobicContact CD1-CB 4.25Å
15V98.6Very high88.2Confident22 Ų2258 Ų5813%0.13329%0.294CS..Hα-helixtrans-59.5-46.6172168.90000110.5Q11 T12 E13 I17 R18 R19 E370 L373Q11-V15 WeakPolarHBondContact O-CG2 3.47Å; Q11-V15 PolarHBondContact O-N 2.91Å; T12-V15 WeakPolarHBondContact O-CB 3.4Å; T12-V15 PolarHBondContact O-N 3.23Å; E13-V15 VanDerWaalsContact C-N 3.35Å; V15-I17 VanDerWaalsContact C-N 3.34Å; V15-I17 PolarHBondContact O-N 3.36Å; V15-R18 PolarHBondContact O-N 3.25Å; V15-R19 HydrophobicContact CG1-CG 4.34Å; V15-R19 VanDerWaalsContact CG1-NE 3.35Å; V15-R19 WeakPolarHBondContact O-CB 2.92Å; V15-R19 VanDerWaalsContact O-CG 3.24Å; V15-R19 WeakPolarHBondContact O-CG 3.37Å; V15-R19 PolarHBondContact O-N 3.05Å; V15-E370 HydrophobicContact CG2-CB 4.08Å; V15-L373 HydrophobicContact CG2-CD1 4.15Å
16D98.4Very high90.9Very high96 Ų9652.6 Ų52.651%0.51327%0.265SS..Hα-helixtrans-62.6-41.6179-70.9-25.5000112.1T12 E13 L14 H20T12-D16 PolarHBondContact O-N 3.44Å; E13-D16 PolarHBondContact O-N 3.06Å; L14-D16 VanDerWaalsContact C-N 3.34Å; D16-H20 WeakPolarHBondContact O-CB 3.42Å; D16-H20 PolarHBondContact O-N 3.49Å
17I98.8Very high93.6Very high4 Ų450.3 Ų50.32%0.02126%0.255CS..Hα-helixtrans-60.6-52.6174.3-74.7165.8000110.9E13 L14 V15 R19 H20 L21 F37 K41 Y45 T104 L107E13-I17 HydrophobicContact CG-CD1 4.01Å; E13-I17 WeakPolarHBondContact O-CG1 3.22Å; E13-I17 PolarHBondContact O-N 2.94Å; L14-I17 HydrophobicContact CD2-CD1 4.28Å; L14-I17 PolarHBondContact O-N 2.94Å; V15-I17 VanDerWaalsContact C-N 3.34Å; V15-I17 PolarHBondContact O-N 3.36Å; I17-R19 VanDerWaalsContact C-N 3.34Å; I17-R19 PolarHBondContact O-N 3.01Å; I17-H20 WeakPolarHBondContact O-CB 3.48Å; I17-H20 PolarHBondContact O-N 3.38Å; I17-H20 VanDerWaalsContact O-N 3.11Å; I17-L21 HydrophobicContact CG2-CD1 4.05Å; I17-L21 WeakPolarHBondContact O-CG 3.34Å; I17-L21 PolarHBondContact O-N 3.34Å; I17-F37 HydrophobicContact CG1-CE1 4.39Å; I17-F37 HydrophobicContact CG1-CZ 4.18Å; I17-F37 HydrophobicContact CG2-CE1 3.98Å; I17-F37 HydrophobicContact CG2-CZ 4.48Å; I17-K41 HydrophobicContact CD1-CD 3.96Å; I17-K41 HydrophobicContact CG1-CD 4.25Å; I17-Y45 WeakPolarHBondContact CD1-OH 3.5Å; I17-T104 HydrophobicContact CB-CG2 4.26Å; I17-T104 HydrophobicContact CG2-CG2 3.91Å; I17-L107 HydrophobicContact CG2-CD1 3.88Å
18R98.7Very high95.8Very high3 Ų344.4 Ų44.41%0.01123%0.23CC..Hα-helixtrans-57.7-48.9179.9-175.7-162.3168.4-179.3-12.2110.7L14 V15 H20 L21 H22 D100 M101 T104 L368 L373L14-R18 WeakPolarHBondContact O-CB 3.31Å; L14-R18 PolarHBondContact O-N 3.16Å; V15-R18 PolarHBondContact O-N 3.25Å; R18-H20 PolarHBondContact O-N 2.9Å; R18-L21 PolarHBondContact O-N 3.39Å; R18-L21 VanDerWaalsContact O-N 3.16Å; R18-H22 WeakPolarHBondContact O-CB 3.25Å; R18-H22 PolarHBondContact O-N 3.19Å; R18-D100 HydrophobicContact CG-CB 4.22Å; R18-D100 VanDerWaalsContact CG-OD2 3.25Å; R18-D100 WeakPolarHBondContact CG-OD2 3.44Å; R18-D100 IonicContact CZ-OD2 2.71Å; R18-D100 IonicContact NE-OD2 3.18Å; R18-D100 PolarHBondContact NE-OD2 3.38Å; R18-D100 IonicContact NH2-OD2 2.61Å; R18-M101 HydrophobicContact CG-CG 4.32Å; R18-M101 VanDerWaalsContact CZ-SD 3.52Å; R18-M101 VanDerWaalsContact NH1-CE 3.32Å; R18-M101 PolarHBondContact NH1-SD 2.97Å; R18-M101 VanDerWaalsContact NH1-SD 3.45Å; R18-T104 VanDerWaalsContact CA-OG1 3.31Å; R18-T104 WeakPolarHBondContact CA-OG1 3.11Å; R18-T104 HydrophobicContact CB-CG2 4.14Å; R18-T104 WeakPolarHBondContact CB-OG1 3.31Å; R18-T104 PolarHBondContact N-OG1 2.84Å; R18-L368 VanDerWaalsContact CZ-O 3.29Å; R18-L368 PolarHBondContact NH1-O 3.43Å; R18-L368 PolarHBondContact NH2-O 2.89Å; R18-L373 HydrophobicContact CB-CD1 4.01Å
19R98.7Very high97.8Very high74 Ų7440 Ų4028%0.27920%0.202SC..Hα-helixtrans-65.4-25.4-179.7-67.6178.6178.7-170.2-1.5113V15 I17 R23 F87 E370V15-R19 HydrophobicContact CG1-CG 4.34Å; V15-R19 VanDerWaalsContact CG1-NE 3.35Å; V15-R19 WeakPolarHBondContact O-CB 2.92Å; V15-R19 VanDerWaalsContact O-CG 3.24Å; V15-R19 WeakPolarHBondContact O-CG 3.37Å; V15-R19 PolarHBondContact O-N 3.05Å; I17-R19 VanDerWaalsContact C-N 3.34Å; I17-R19 PolarHBondContact O-N 3.01Å; R19-R23 WeakPolarHBondContact O-CB 3.3Å; R19-R23 WeakPolarHBondContact O-CG 3.38Å; R19-R23 PolarHBondContact O-N 3.36Å; R19-R23 PolarHBondContact O-NE 3.49Å; R19-F87 HydrophobicContact CB-CB 4.14Å; R19-F87 HydrophobicContact CB-CD2 4.24Å; R19-F87 HydrophobicContact CB-CG 4.09Å; R19-F87 HydrophobicContact CG-CB 4.23Å; R19-F87 HydrophobicContact CG-CD1 3.8Å; R19-F87 HydrophobicContact CG-CD2 3.86Å; R19-F87 HydrophobicContact CG-CE1 4.06Å; R19-F87 HydrophobicContact CG-CE2 4.12Å; R19-F87 HydrophobicContact CG-CG 3.69Å; R19-F87 HydrophobicContact CG-CZ 4.21Å; R19-E370 WeakPolarHBondContact CG-OE1 3.46Å; R19-E370 IonicContact CZ-OE1 2.91Å; R19-E370 IonicContact CZ-OE2 3.47Å; R19-E370 IonicContact NE-OE1 3.97Å; R19-E370 PolarHBondContact NE-OE1 2.83Å; R19-E370 IonicContact NE-OE2 2.88Å; R19-E370 PolarHBondContact NE-OE2 3.45Å; R19-E370 IonicContact NH2-OE1 3.49Å; R19-E370 IonicContact NH2-OE2 3.77Å; R19-E370 PolarHBondContact NH2-OE2 2.87Å
20H98.7Very high98.2Very high76 Ų7642.6 Ų42.635%0.35221%0.208SC..Hα-helixtrans-70.1-50.3170.8177.282.1000110.8D16 I17 R18 R23 N24 F37D16-H20 WeakPolarHBondContact O-CB 3.42Å; D16-H20 PolarHBondContact O-N 3.49Å; I17-H20 WeakPolarHBondContact O-CB 3.48Å; I17-H20 PolarHBondContact O-N 3.38Å; I17-H20 VanDerWaalsContact O-N 3.11Å; R18-H20 PolarHBondContact O-N 2.9Å; H20-R23 PolarHBondContact O-N 3.48Å; H20-N24 PolarHBondContact O-N 3.41Å; H20-N24 PolarHBondContact O-ND2 2.99Å; H20-F37 HydrophobicContact CB-CE2 4.33Å; H20-F37 HydrophobicContact CB-CZ 4.18Å; H20-F37 AromaticContact CD2-CD1 3.92Å; H20-F37 AromaticContact CD2-CD2 3.24Å; H20-F37 WeakPolarHBondContact CD2-CD2 3.41Å; H20-F37 AromaticContact CD2-CE1 3.94Å; H20-F37 AromaticContact CD2-CE2 3.24Å; H20-F37 WeakPolarHBondContact CD2-CE2 3.46Å; H20-F37 AromaticContact CD2-CG 3.58Å; H20-F37 AromaticContact CD2-CZ 3.6Å; H20-F37 AromaticContact CG-CE2 3.68Å; H20-F37 AromaticContact CG-CZ 3.98Å; H20-F37 AromaticContact NE2-CD2 3.2Å; H20-F37 WeakPolarHBondContact NE2-CD2 3.27Å; H20-F37 AromaticContact NE2-CE2 3.6Å; H20-F37 AromaticContact NE2-CG 3.69Å
21L98.8Very high98.3Very high2 Ų241.8 Ų41.81%0.0120%0.204CC..Hα-helixtrans-60.5-47177.6-65.6171.4000111.3I17 R18 R23 N24 T34 F37 H95 D100 T103I17-L21 HydrophobicContact CG2-CD1 4.05Å; I17-L21 WeakPolarHBondContact O-CG 3.34Å; I17-L21 PolarHBondContact O-N 3.34Å; R18-L21 PolarHBondContact O-N 3.39Å; R18-L21 VanDerWaalsContact O-N 3.16Å; L21-R23 VanDerWaalsContact C-N 3.3Å; L21-R23 PolarHBondContact O-N 2.93Å; L21-N24 CarbonylContact O-C 3.58Å; L21-N24 VanDerWaalsContact O-C 3.24Å; L21-N24 PolarHBondContact O-N 2.87Å; L21-T34 HydrophobicContact CD2-CG2 4Å; L21-F37 HydrophobicContact CD2-CD1 3.79Å; L21-F37 HydrophobicContact CD2-CE1 4.26Å; L21-F37 HydrophobicContact CG-CD1 4.34Å; L21-F37 HydrophobicContact CG-CE1 4.31Å; L21-H95 PolarHBondContact O-NE2 2.8Å; L21-D100 HydrophobicContact CB-CB 4.05Å; L21-T103 HydrophobicContact CD1-CG2 3.62Å
22H98.7Very high98.3Very high6 Ų643.7 Ų43.73%0.02822%0.219CC..Hα-helixtrans-59.6-36.6-179.2-15594.6000113.8R18 N24 P25 E81 F87 D100R18-H22 WeakPolarHBondContact O-CB 3.25Å; R18-H22 PolarHBondContact O-N 3.19Å; H22-N24 VanDerWaalsContact C-N 3.31Å; H22-P25 WeakPolarHBondContact O-CD 3.43Å; H22-E81 IonicContact CD2-OE2 3.86Å; H22-E81 IonicContact NE2-OE1 3.9Å; H22-E81 PolarHBondContact NE2-OE1 3.29Å; H22-E81 IonicContact NE2-OE2 2.69Å; H22-E81 PolarHBondContact NE2-OE2 2.74Å; H22-F87 HydrophobicContact CB-CD2 3.99Å; H22-F87 HydrophobicContact CB-CE2 4.27Å; H22-F87 AromaticContact CD2-CD2 3.99Å; H22-D100 IonicContact CE1-OD2 3.45Å; H22-D100 IonicContact CG-OD2 2.81Å; H22-D100 IonicContact ND1-OD2 3.61Å; H22-D100 PolarHBondContact ND1-OD2 3.38Å
23R98.3Very high98.3Very high120 Ų12042.4 Ų42.445%0.45322%0.217SC..Hα-helixtrans-72.9-24.4176.4-80.6-175.9-93.1-155.5-1.3113.5R19 H20 L21 P25 F87R19-R23 WeakPolarHBondContact O-CB 3.3Å; R19-R23 WeakPolarHBondContact O-CG 3.38Å; R19-R23 PolarHBondContact O-N 3.36Å; R19-R23 PolarHBondContact O-NE 3.49Å; H20-R23 PolarHBondContact O-N 3.48Å; L21-R23 VanDerWaalsContact C-N 3.3Å; L21-R23 PolarHBondContact O-N 2.93Å; R23-P25 WeakPolarHBondContact O-CD 3.36Å; R23-F87 HydrophobicContact CG-CB 3.89Å; R23-F87 WeakPolarHBondContact CG-O 3.42Å
24N98.3Very high98.3Very high77 Ų7741 Ų4141%0.41221%0.211SC..SBendtrans-12455.5-173.3-55.6-81.2000111.4H20 L21 H22H20-N24 PolarHBondContact O-N 3.41Å; H20-N24 PolarHBondContact O-ND2 2.99Å; L21-N24 CarbonylContact O-C 3.58Å; L21-N24 VanDerWaalsContact O-C 3.24Å; L21-N24 PolarHBondContact O-N 2.87Å; H22-N24 VanDerWaalsContact C-N 3.31Å
25P98.6Very high98.4Very high2 Ų242.6 Ų42.61%0.01322%0.218CC..  trans-69.7136.9-178.625.9-28.1000110.7H22 R23 A76 S89 N91 A93H22-P25 WeakPolarHBondContact O-CD 3.43Å; R23-P25 WeakPolarHBondContact O-CD 3.36Å; P25-A76 HydrophobicContact CB-CB 3.36Å; P25-S89 VanDerWaalsContact CG-CB 3.49Å; P25-N91 WeakPolarHBondContact CG-OD1 3.38Å; P25-N91 PolarHBondContact O-ND2 3.36Å; P25-A93 HydrophobicContact CB-CB 4.04Å; P25-A93 VanDerWaalsContact CG-C 3.49Å; P25-A93 HydrophobicContact CG-CB 3.92Å; P25-A93 WeakPolarHBondContact CG-O 3.31Å
26E98.7Very high98.4Very high38 Ų3845.9 Ų45.918%0.17824%0.235CC..  trans-124.5142.6175.3-68.5-176.312200110L31 P32 A33 T34 A76E26-L31 HydrophobicContact CB-CB 3.43Å; E26-L31 VanDerWaalsContact CB-CB 3.43Å; E26-L31 VanDerWaalsContact CD-CA 3.48Å; E26-L31 HydrophobicContact CG-CB 4.39Å; E26-L31 WeakPolarHBondContact OE2-CA 3.36Å; E26-P32 VanDerWaalsContact OE1-CD 3.27Å; E26-P32 WeakPolarHBondContact OE1-CD 3.22Å; E26-A33 PolarHBondContact OE1-N 2.84Å; E26-A33 WeakPolarHBondContact OE2-CA 3.44Å; E26-A33 WeakPolarHBondContact OE2-CB 3.29Å; E26-A33 PolarHBondContact OE2-N 2.98Å; E26-T34 PolarHBondContact OE2-N 2.69Å; E26-T34 PolarHBondContact OE2-OG1 2.79Å; E26-A76 WeakPolarHBondContact O-CB 3.46Å; E26-A76 PolarHBondContact O-N 3.05Å
27V98.4Very high98.4Very high51 Ų5143.2 Ų43.231%0.30922%0.219SC..BIsolated β-bridgetrans-105.2135.7-162.4176.80000112.3M29 E30 A76 P78 A93V27-M29 PolarHBondContact O-N 2.83Å; V27-E30 PolarHBondContact O-N 3.45Å; V27-A76 HydrophobicContact CG2-CB 4.48Å; V27-P78 HydrophobicContact CG1-CB 4.43Å; V27-P78 HydrophobicContact CG1-CG 4.41Å; V27-P78 HydrophobicContact CG2-CB 4.49Å; V27-A93 HydrophobicContact CG2-CB 3.56Å
28G96.1Very high98.4Very high3 Ų343 Ų433%0.03122%0.218CC..THydrogen-bonded Turntrans62.5-124.8171.800000113.2L31 D75 G131G28-L31 WeakPolarHBondContact O-CD2 3.34Å; G28-D75 WeakPolarHBondContact O-CB 3.47Å; G28-G131 WeakPolarHBondContact O-CA 3.32Å; G28-G131 PolarHBondContact O-N 3.19Å
29M97.7Very high98.4Very high15 Ų1546.6 Ų46.67%0.07423%0.231CC..THydrogen-bonded Turntrans-94.86.5-177.3-66.3-62.4-65.800114V27 K54 M55 P130 I134 Q136 D140V27-M29 PolarHBondContact O-N 2.83Å; M29-K54 HydrophobicContact CE-CB 4.07Å; M29-K54 HydrophobicContact CE-CD 4.32Å; M29-M55 WeakPolarHBondContact O-CG 3.46Å; M29-P130 HydrophobicContact CE-CG 3.84Å; M29-P130 HydrophobicContact SD-CB 3.96Å; M29-P130 HydrophobicContact SD-CG 3.71Å; M29-I134 HydrophobicContact CG-CD1 4.02Å; M29-Q136 HydrophobicContact CG-CB 4.27Å; M29-Q136 HydrophobicContact SD-CB 4.38Å; M29-D140 HydrophobicContact CE-CB 3.85Å; M29-D140 VanDerWaalsContact CE-OD2 3.25Å; M29-D140 WeakPolarHBondContact CE-OD2 3.2Å
30E97.2Very high98.4Very high138 Ų13847.7 Ų47.765%0.64524%0.239SC*.  trans-117.378.5-179-64.4-60.7147.800109.5V27 P32V27-E30 PolarHBondContact O-N 3.45Å; E30-P32 VanDerWaalsContact C-CD 3.46Å
31L98.4Very high98.4Very high0 Ų045.7 Ų45.70%023%0.23CC..  trans-131.651.8-177.656.381.4000115E26 G28 A33 T34 K35 M55 M74 D75 P130E26-L31 HydrophobicContact CB-CB 3.43Å; E26-L31 VanDerWaalsContact CB-CB 3.43Å; E26-L31 VanDerWaalsContact CD-CA 3.48Å; E26-L31 HydrophobicContact CG-CB 4.39Å; E26-L31 WeakPolarHBondContact OE2-CA 3.36Å; G28-L31 WeakPolarHBondContact O-CD2 3.34Å; L31-A33 VanDerWaalsContact C-N 3.33Å; L31-A33 PolarHBondContact O-N 2.81Å; L31-T34 PolarHBondContact O-N 3.34Å; L31-K35 HydrophobicContact CD1-CB 4.08Å; L31-K35 WeakPolarHBondContact O-CB 3.28Å; L31-K35 PolarHBondContact O-N 2.84Å; L31-M55 HydrophobicContact CD1-CB 3.87Å; L31-M55 HydrophobicContact CG-CB 4.19Å; L31-M74 HydrophobicContact CD1-CE 3.72Å; L31-M74 HydrophobicContact CD2-CB 4.38Å; L31-D75 HydrophobicContact CD2-CB 3.76Å; L31-P130 HydrophobicContact CD1-CB 4.2Å; L31-P130 HydrophobicContact CD2-CB 3.77Å; L31-P130 HydrophobicContact CG-CB 4.16Å
32P98.4Very high98.4Very high74 Ų7445.6 Ų45.648%0.48123%0.229SC..Hα-helixtrans-60.9-35.3-175.726.7-36.3000114.2E26 E30 D36E26-P32 VanDerWaalsContact OE1-CD 3.27Å; E26-P32 WeakPolarHBondContact OE1-CD 3.22Å; E30-P32 VanDerWaalsContact C-CD 3.46Å; P32-D36 WeakPolarHBondContact O-CB 3.37Å; P32-D36 PolarHBondContact O-N 3.3Å
33A98.6Very high98.4Very high55 Ų5548.5 Ų48.546%0.45525%0.247SC..Hα-helixtrans-73.6-43.2-179.500000111.5E26 L31 D36 F37E26-A33 PolarHBondContact OE1-N 2.84Å; E26-A33 WeakPolarHBondContact OE2-CA 3.44Å; E26-A33 WeakPolarHBondContact OE2-CB 3.29Å; E26-A33 PolarHBondContact OE2-N 2.98Å; L31-A33 VanDerWaalsContact C-N 3.33Å; L31-A33 PolarHBondContact O-N 2.81Å; A33-D36 PolarHBondContact O-N 2.93Å; A33-F37 WeakPolarHBondContact O-CB 3.28Å; A33-F37 PolarHBondContact O-N 3.36Å
34T98.7Very high98.4Very high4 Ų448.6 Ų48.63%0.02525%0.253CS..Hα-helixtrans-61.1-45.6173.7-59.30000110.8L21 E26 L31 F37 V38 M74L21-T34 HydrophobicContact CD2-CG2 4Å; E26-T34 PolarHBondContact OE2-N 2.69Å; E26-T34 PolarHBondContact OE2-OG1 2.79Å; L31-T34 PolarHBondContact O-N 3.34Å; T34-F37 PolarHBondContact O-N 3.35Å; T34-V38 WeakPolarHBondContact O-CG2 3.41Å; T34-V38 PolarHBondContact O-N 2.91Å; T34-M74 HydrophobicContact CG2-CB 3.93Å; T34-M74 HydrophobicContact CG2-SD 4.09Å
35K98.7Very high98.4Very high34 Ų3445.8 Ų45.815%0.14824%0.237CC..Hα-helixtrans-58.1-49.9175.8179.8-178.7-173.7177.50111.9L31 V38 W39 S51 K54 M55 V57L31-K35 HydrophobicContact CD1-CB 4.08Å; L31-K35 WeakPolarHBondContact O-CB 3.28Å; L31-K35 PolarHBondContact O-N 2.84Å; K35-V38 PolarHBondContact O-N 3.03Å; K35-W39 VanDerWaalsContact O-CB 3.3Å; K35-W39 WeakPolarHBondContact O-CB 3.48Å; K35-W39 PolarHBondContact O-N 2.8Å; K35-S51 PolarHBondContact NZ-OG 3.35Å; K35-S51 VanDerWaalsContact NZ-OG 3.09Å; K35-K54 PolarHBondContact NZ-O 3.38Å; K35-M55 HydrophobicContact CD-SD 3.79Å; K35-V57 HydrophobicContact CG-CG2 3.7Å
36D98.7Very high98.4Very high92 Ų9247.8 Ų47.849%0.49226%0.257SS..Hα-helixtrans-62.8-43.6179.1-177.346.9000111P32 A33 V38 W39 Q40P32-D36 WeakPolarHBondContact O-CB 3.37Å; P32-D36 PolarHBondContact O-N 3.3Å; A33-D36 PolarHBondContact O-N 2.93Å; D36-V38 PolarHBondContact O-N 2.93Å; D36-W39 WeakPolarHBondContact O-CB 3.49Å; D36-W39 PolarHBondContact O-N 3.38Å; D36-Q40 WeakPolarHBondContact O-CG 3.22Å; D36-Q40 PolarHBondContact O-N 3.15Å; D36-Q40 PolarHBondContact OD1-NE2 3.41Å
37F98.9Very high98.4Very high40 Ų4046.4 Ų46.418%0.17525%0.251CS..Hα-helixtrans-59-48177.8-178.4-93.4000112.6I17 H20 L21 A33 T34 W39 Q40 K41I17-F37 HydrophobicContact CG1-CE1 4.39Å; I17-F37 HydrophobicContact CG1-CZ 4.18Å; I17-F37 HydrophobicContact CG2-CE1 3.98Å; I17-F37 HydrophobicContact CG2-CZ 4.48Å; H20-F37 HydrophobicContact CB-CE2 4.33Å; H20-F37 HydrophobicContact CB-CZ 4.18Å; H20-F37 AromaticContact CD2-CD1 3.92Å; H20-F37 AromaticContact CD2-CD2 3.24Å; H20-F37 WeakPolarHBondContact CD2-CD2 3.41Å; H20-F37 AromaticContact CD2-CE1 3.94Å; H20-F37 AromaticContact CD2-CE2 3.24Å; H20-F37 WeakPolarHBondContact CD2-CE2 3.46Å; H20-F37 AromaticContact CD2-CG 3.58Å; H20-F37 AromaticContact CD2-CZ 3.6Å; H20-F37 AromaticContact CG-CE2 3.68Å; H20-F37 AromaticContact CG-CZ 3.98Å; H20-F37 AromaticContact NE2-CD2 3.2Å; H20-F37 WeakPolarHBondContact NE2-CD2 3.27Å; H20-F37 AromaticContact NE2-CE2 3.6Å; H20-F37 AromaticContact NE2-CG 3.69Å; L21-F37 HydrophobicContact CD2-CD1 3.79Å; L21-F37 HydrophobicContact CD2-CE1 4.26Å; L21-F37 HydrophobicContact CG-CD1 4.34Å; L21-F37 HydrophobicContact CG-CE1 4.31Å; A33-F37 WeakPolarHBondContact O-CB 3.28Å; A33-F37 PolarHBondContact O-N 3.36Å; T34-F37 PolarHBondContact O-N 3.35Å; F37-W39 VanDerWaalsContact C-N 3.33Å; F37-W39 PolarHBondContact O-N 2.95Å; F37-Q40 PolarHBondContact O-N 3.37Å; F37-K41 HydrophobicContact CD1-CG 4.38Å; F37-K41 HydrophobicContact CE1-CG 3.91Å; F37-K41 HydrophobicContact CZ-CG 4.05Å; F37-K41 WeakPolarHBondContact O-CG 3.27Å; F37-K41 PolarHBondContact O-N 3.14Å
38V98.9Very high98.4Very high0 Ų052.5 Ų52.50%028%0.276CS..Hα-helixtrans-61.9-42.5175.9169.80000110.9T34 K35 D36 K41 L42 V57 M74 T103 L107 F128T34-V38 WeakPolarHBondContact O-CG2 3.41Å; T34-V38 PolarHBondContact O-N 2.91Å; K35-V38 PolarHBondContact O-N 3.03Å; D36-V38 PolarHBondContact O-N 2.93Å; V38-K41 PolarHBondContact O-N 3.02Å; V38-L42 HydrophobicContact CG1-CD1 4.07Å; V38-L42 WeakPolarHBondContact O-CG 3.4Å; V38-L42 PolarHBondContact O-N 2.87Å; V38-V57 HydrophobicContact CG1-CB 4.48Å; V38-M74 HydrophobicContact CB-SD 4.31Å; V38-M74 HydrophobicContact CG1-SD 4.42Å; V38-M74 HydrophobicContact CG2-SD 3.79Å; V38-T103 HydrophobicContact CG2-CG2 3.57Å; V38-L107 HydrophobicContact CG1-CD2 4.34Å; V38-L107 HydrophobicContact CG2-CD1 4.43Å; V38-F128 HydrophobicContact CG1-CB 4.08Å; V38-F128 HydrophobicContact CG1-CD1 3.7Å; V38-F128 HydrophobicContact CG1-CD2 3.94Å; V38-F128 HydrophobicContact CG1-CE1 4.06Å; V38-F128 HydrophobicContact CG1-CE2 4.29Å; V38-F128 HydrophobicContact CG1-CG 3.62Å; V38-F128 HydrophobicContact CG1-CZ 4.34Å
39W98.8Very high98.5Very high77 Ų7753 Ų5329%0.29228%0.278SS..Hα-helixtrans-57.8-50175.8-172.4-70.6000111.8K35 D36 F37 K41 L42 V43 P49 V57K35-W39 VanDerWaalsContact O-CB 3.3Å; K35-W39 WeakPolarHBondContact O-CB 3.48Å; K35-W39 PolarHBondContact O-N 2.8Å; D36-W39 WeakPolarHBondContact O-CB 3.49Å; D36-W39 PolarHBondContact O-N 3.38Å; F37-W39 VanDerWaalsContact C-N 3.33Å; F37-W39 PolarHBondContact O-N 2.95Å; W39-K41 VanDerWaalsContact C-N 3.32Å; W39-K41 PolarHBondContact O-N 3.11Å; W39-L42 PolarHBondContact O-N 3.35Å; W39-V43 WeakPolarHBondContact O-CG2 3.45Å; W39-V43 PolarHBondContact O-N 2.95Å; W39-P49 HydrophobicContact CD2-CB 3.96Å; W39-P49 HydrophobicContact CD2-CG 3.6Å; W39-P49 HydrophobicContact CE3-CB 3.98Å; W39-P49 HydrophobicContact CE3-CG 4.15Å; W39-P49 HydrophobicContact CG-CB 4.45Å; W39-P49 HydrophobicContact CG-CG 3.84Å; W39-P49 HydrophobicContact CH2-CB 4.44Å; W39-P49 HydrophobicContact CH2-CG 4.47Å; W39-P49 WeakPolarHBondContact CH2-O 3.36Å; W39-P49 HydrophobicContact CZ2-CB 4.43Å; W39-P49 HydrophobicContact CZ2-CG 3.97Å; W39-P49 VanDerWaalsContact CZ2-O 3.31Å; W39-P49 WeakPolarHBondContact CZ2-O 3.45Å; W39-P49 HydrophobicContact CZ3-CB 4.23Å; W39-V57 HydrophobicContact CE3-CG1 4.13Å; W39-V57 HydrophobicContact CE3-CG2 4.34Å
40Q98.8Very high98.5Very high97 Ų9758.3 Ų58.345%0.45330%0.303SS..Hα-helixtrans-62.9-39179.5-63.4-47-36.800111.7D36 F37 V43 E44D36-Q40 WeakPolarHBondContact O-CG 3.22Å; D36-Q40 PolarHBondContact O-N 3.15Å; D36-Q40 PolarHBondContact OD1-NE2 3.41Å; F37-Q40 PolarHBondContact O-N 3.37Å; Q40-V43 PolarHBondContact O-N 3.25Å; Q40-E44 WeakPolarHBondContact O-CB 3.3Å; Q40-E44 PolarHBondContact O-N 3.43Å
41K98.8Very high98.6Very high34 Ų3455 Ų5515%0.14830%0.295CS..Hα-helixtrans-63.9-42.2176.1-77.2-72.9166.1-160.90112.7I17 F37 V38 W39 E44 Y45 L107I17-K41 HydrophobicContact CD1-CD 3.96Å; I17-K41 HydrophobicContact CG1-CD 4.25Å; F37-K41 HydrophobicContact CD1-CG 4.38Å; F37-K41 HydrophobicContact CE1-CG 3.91Å; F37-K41 HydrophobicContact CZ-CG 4.05Å; F37-K41 WeakPolarHBondContact O-CG 3.27Å; F37-K41 PolarHBondContact O-N 3.14Å; V38-K41 PolarHBondContact O-N 3.02Å; W39-K41 VanDerWaalsContact C-N 3.32Å; W39-K41 PolarHBondContact O-N 3.11Å; K41-E44 IonicContact NZ-OE1 2.98Å; K41-E44 IonicContact NZ-OE2 3.98Å; K41-E44 PolarHBondContact NZ-OE2 2.9Å; K41-E44 WeakPolarHBondContact O-CB 3.34Å; K41-E44 PolarHBondContact O-N 3.35Å; K41-Y45 WeakPolarHBondContact O-CD2 3.31Å; K41-Y45 VanDerWaalsContact O-CG 3.24Å; K41-Y45 PolarHBondContact O-N 2.65Å; K41-L107 HydrophobicContact CB-CD1 4.15Å; K41-L107 HydrophobicContact CB-CD2 3.84Å; K41-L107 HydrophobicContact CG-CD1 4.35Å
42L98.9Very high98.6Very high0 Ų055.2 Ų55.20%030%0.296CS..Hα-helixtrans-62.8-43.2174.6-71.9171.3000111.7V38 W39 Y45 G46 Y47 P49 V57 L107 A110 F128V38-L42 HydrophobicContact CG1-CD1 4.07Å; V38-L42 WeakPolarHBondContact O-CG 3.4Å; V38-L42 PolarHBondContact O-N 2.87Å; W39-L42 PolarHBondContact O-N 3.35Å; L42-Y45 CarbonylContact O-C 3.57Å; L42-Y45 PolarHBondContact O-N 3.22Å; L42-G46 PolarHBondContact O-N 3.42Å; L42-G46 VanDerWaalsContact O-N 3.15Å; L42-Y47 HydrophobicContact CD2-CD2 4.27Å; L42-Y47 HydrophobicContact CD2-CG 4.3Å; L42-Y47 WeakPolarHBondContact O-CB 3.47Å; L42-Y47 PolarHBondContact O-N 2.89Å; L42-P49 HydrophobicContact CB-CB 4.32Å; L42-P49 HydrophobicContact CB-CG 4.22Å; L42-P49 HydrophobicContact CD1-CB 4.04Å; L42-V57 HydrophobicContact CD1-CG1 3.72Å; L42-L107 HydrophobicContact CD2-CD2 4.07Å; L42-L107 HydrophobicContact CG-CD2 4.07Å; L42-A110 HydrophobicContact CD2-CB 3.94Å; L42-F128 HydrophobicContact CD1-CD2 4.06Å; L42-F128 HydrophobicContact CD1-CE2 3.76Å; L42-F128 HydrophobicContact CD2-CE2 3.97Å; L42-F128 HydrophobicContact CD2-CZ 4.26Å; L42-F128 HydrophobicContact CG-CE2 4.29Å
43V98.8Very high98.6Very high68 Ų6853 Ų5341%0.41229%0.287SS..Hα-helixtrans-62.1-42.7174.6172.20000111.5W39 Q40 Y45 G46 P49W39-V43 WeakPolarHBondContact O-CG2 3.45Å; W39-V43 PolarHBondContact O-N 2.95Å; Q40-V43 PolarHBondContact O-N 3.25Å; V43-Y45 VanDerWaalsContact C-N 3.26Å; V43-Y45 PolarHBondContact O-N 3.15Å; V43-G46 WeakPolarHBondContact O-CA 3.3Å; V43-G46 PolarHBondContact O-N 3.46Å; V43-P49 HydrophobicContact CG2-CG 3.82Å
44E98.4Very high98.5Very high121 Ų12156.9 Ų56.957%0.56529%0.293SS*.Hα-helixtrans-58-39.8174.7-175.5-172.7156.400111.4Q40 K41 G46Q40-E44 WeakPolarHBondContact O-CB 3.3Å; Q40-E44 PolarHBondContact O-N 3.43Å; K41-E44 IonicContact NZ-OE1 2.98Å; K41-E44 IonicContact NZ-OE2 3.98Å; K41-E44 PolarHBondContact NZ-OE2 2.9Å; K41-E44 WeakPolarHBondContact O-CB 3.34Å; K41-E44 PolarHBondContact O-N 3.35Å; E44-G46 PolarHBondContact O-N 3.46Å
45Y98.4Very high98.5Very high19 Ų1958.5 Ų58.58%0.07530%0.301CS..THydrogen-bonded Turntrans-76.7-0.4174-58.3-20.4000113.3E13 I17 K41 L42 V43 L107 A110 K111 K114E13-Y45 WeakPolarHBondContact OE1-CE1 3.49Å; E13-Y45 VanDerWaalsContact OE1-CZ 3.31Å; E13-Y45 PolarHBondContact OE1-OH 2.94Å; I17-Y45 WeakPolarHBondContact CD1-OH 3.5Å; K41-Y45 WeakPolarHBondContact O-CD2 3.31Å; K41-Y45 VanDerWaalsContact O-CG 3.24Å; K41-Y45 PolarHBondContact O-N 2.65Å; L42-Y45 CarbonylContact O-C 3.57Å; L42-Y45 PolarHBondContact O-N 3.22Å; V43-Y45 VanDerWaalsContact C-N 3.26Å; V43-Y45 PolarHBondContact O-N 3.15Å; Y45-L107 HydrophobicContact CE2-CB 4.34Å; Y45-L107 HydrophobicContact CE2-CD2 4.38Å; Y45-L107 WeakPolarHBondContact CE2-O 3.35Å; Y45-A110 HydrophobicContact CD2-CB 4.49Å; Y45-K111 HydrophobicContact CD1-CB 4.38Å; Y45-K111 HydrophobicContact CD1-CD 4.12Å; Y45-K111 HydrophobicContact CD1-CG 4.21Å; Y45-K111 HydrophobicContact CD2-CB 3.91Å; Y45-K111 HydrophobicContact CE1-CB 4.36Å; Y45-K111 HydrophobicContact CE1-CD 3.69Å; Y45-K111 HydrophobicContact CE1-CG 4.23Å; Y45-K111 HydrophobicContact CE2-CB 3.86Å; Y45-K111 HydrophobicContact CG-CB 4.18Å; Y45-K111 HydrophobicContact CG-CG 4.41Å; Y45-K114 VanDerWaalsContact O-CG 3.28Å; Y45-K114 WeakPolarHBondContact O-CG 3.45Å
46G98.3Very high98.5Very high43 Ų4356.9 Ų56.944%0.44329%0.294SS..THydrogen-bonded Turntrans81.624.9176.900000114.7L42 V43 E44 K114L42-G46 PolarHBondContact O-N 3.42Å; L42-G46 VanDerWaalsContact O-N 3.15Å; V43-G46 WeakPolarHBondContact O-CA 3.3Å; V43-G46 PolarHBondContact O-N 3.46Å; E44-G46 PolarHBondContact O-N 3.46Å; G46-K114 WeakPolarHBondContact O-CE 3.43Å; G46-K114 PolarHBondContact O-NZ 2.88Å
47Y98.6Very high98.5Very high10 Ų1052.5 Ų52.54%0.03927%0.271CS..  trans-88.6158.4166.4-73.5-102.8000111.4L42 P49 C59 I61 A110 K114 L126L42-Y47 HydrophobicContact CD2-CD2 4.27Å; L42-Y47 HydrophobicContact CD2-CG 4.3Å; L42-Y47 WeakPolarHBondContact O-CB 3.47Å; L42-Y47 PolarHBondContact O-N 2.89Å; Y47-P49 VanDerWaalsContact C-CD 3.48Å; Y47-P49 WeakPolarHBondContact O-CD 3.48Å; Y47-C59 HydrophobicContact CD1-CB 3.8Å; Y47-C59 WeakPolarHBondContact CD1-SG 3.21Å; Y47-I61 HydrophobicContact CE1-CB 3.61Å; Y47-I61 HydrophobicContact CE1-CD1 4.15Å; Y47-I61 HydrophobicContact CE1-CG1 4.18Å; Y47-I61 HydrophobicContact CE1-CG2 4.11Å; Y47-A110 HydrophobicContact CE2-CB 3.94Å; Y47-A110 WeakPolarHBondContact CE2-O 3.45Å; Y47-A110 WeakPolarHBondContact OH-CA 3.37Å; Y47-A110 PolarHBondContact OH-O 3.11Å; Y47-K114 HydrophobicContact CE2-CB 3.85Å; Y47-K114 HydrophobicContact CE2-CD 4.27Å; Y47-K114 HydrophobicContact CE2-CG 4.4Å; Y47-L126 HydrophobicContact CE1-CD1 4.06Å
48E98.2Very high98.5Very high179 Ų17951.1 Ų51.184%0.83627%0.266SS*.  trans-107.184.5167.3-65.8-178-17800108.7
49P98.6Very high98.5Very high12 Ų1251.4 Ų51.48%0.07827%0.267CS..  trans-65.8150.7-178.926.2-34.1000112.7W39 L42 V43 Y47 V57W39-P49 HydrophobicContact CD2-CB 3.96Å; W39-P49 HydrophobicContact CD2-CG 3.6Å; W39-P49 HydrophobicContact CE3-CB 3.98Å; W39-P49 HydrophobicContact CE3-CG 4.15Å; W39-P49 HydrophobicContact CG-CB 4.45Å; W39-P49 HydrophobicContact CG-CG 3.84Å; W39-P49 HydrophobicContact CH2-CB 4.44Å; W39-P49 HydrophobicContact CH2-CG 4.47Å; W39-P49 WeakPolarHBondContact CH2-O 3.36Å; W39-P49 HydrophobicContact CZ2-CB 4.43Å; W39-P49 HydrophobicContact CZ2-CG 3.97Å; W39-P49 VanDerWaalsContact CZ2-O 3.31Å; W39-P49 WeakPolarHBondContact CZ2-O 3.45Å; W39-P49 HydrophobicContact CZ3-CB 4.23Å; L42-P49 HydrophobicContact CB-CB 4.32Å; L42-P49 HydrophobicContact CB-CG 4.22Å; L42-P49 HydrophobicContact CD1-CB 4.04Å; V43-P49 HydrophobicContact CG2-CG 3.82Å; Y47-P49 VanDerWaalsContact C-CD 3.48Å; Y47-P49 WeakPolarHBondContact O-CD 3.48Å; P49-V57 HydrophobicContact CB-CG1 3.69Å
50Q98.6Very high98.5Very high127 Ų12750.9 Ų50.959%0.59327%0.273SS*.EExtended strand (participates in β ladder)trans-126.1150.5175.6-63.1-177.3-35.800109.5V57 T58Q50-V57 WeakPolarHBondContact O-CA 3.32Å; Q50-T58 HydrophobicContact CB-CG2 4.18Å; Q50-T58 PolarHBondContact N-O 3.24Å; Q50-T58 PolarHBondContact O-N 2.93Å
51S98.4Very high98.5Very high70 Ų7046.5 Ų46.549%0.4925%0.253SS..EExtended strand (participates in β ladder)trans-71.2138.6171-71.70000110K35 G56K35-S51 PolarHBondContact NZ-OG 3.35Å; K35-S51 VanDerWaalsContact NZ-OG 3.09Å; S51-G56 WeakPolarHBondContact CA-O 3.29Å
52C98.5Very high98.4Very high3 Ų345.6 Ų45.62%0.0225%0.253CS..EExtended strand (participates in β ladder)trans-122.8101.4172.2-170.90000108.6G56 T58 L127 C141C52-G56 PolarHBondContact N-O 2.82Å; C52-G56 CarbonylContact O-C 3.4Å; C52-G56 WeakPolarHBondContact O-CA 3.45Å; C52-G56 PolarHBondContact O-N 2.9Å; C52-T58 HydrophobicContact CB-CG2 3.91Å; C52-L127 HydrophobicContact CB-CD1 4.42Å; C52-C141 VanDerWaalsContact SG-CA 3.58Å; C52-C141 VanDerWaalsContact SG-CB 3.52Å; C52-C141 PolarHBondContact SG-O 2.96Å
53G98Very high98.1Very high27 Ų2753.3 Ų53.328%0.27829%0.289SS..THydrogen-bonded Turntrans75-153.5-171.200000111.5D140G53-D140 WeakPolarHBondContact CA-OD2 3.44Å
54K97.6Very high97.9Very high138 Ų13852.3 Ų52.360%0.629%0.292SS*.THydrogen-bonded Turntrans-69.2-52.6-178.3-64174.7-172.5172.20111.1M29 K35 D140M29-K54 HydrophobicContact CE-CB 4.07Å; M29-K54 HydrophobicContact CE-CD 4.32Å; K35-K54 PolarHBondContact NZ-O 3.38Å; K54-D140 PolarHBondContact N-OD2 2.83Å
55M98.4Very high97.7Very high37 Ų3755.8 Ų55.818%0.18231%0.308CS..THydrogen-bonded Turntrans-123.4-1.8-172-69.7-53.7160.700115.7M29 L31 K35 P130M29-M55 WeakPolarHBondContact O-CG 3.46Å; L31-M55 HydrophobicContact CD1-CB 3.87Å; L31-M55 HydrophobicContact CG-CB 4.19Å; K35-M55 HydrophobicContact CD-SD 3.79Å; M55-P130 HydrophobicContact CB-CB 3.78Å; M55-P130 HydrophobicContact CB-CG 3.93Å
56G98.7Very high97.6Very high0 Ų058.7 Ų58.70%032%0.319CS..EExtended strand (participates in β ladder)trans-76.1157.5175.500000113.6S51 C52 F128S51-G56 WeakPolarHBondContact CA-O 3.29Å; C52-G56 PolarHBondContact N-O 2.82Å; C52-G56 CarbonylContact O-C 3.4Å; C52-G56 WeakPolarHBondContact O-CA 3.45Å; C52-G56 PolarHBondContact O-N 2.9Å; G56-F128 VanDerWaalsContact CA-O 3.28Å; G56-F128 WeakPolarHBondContact CA-O 3.39Å
57V98.9Very high97.6Very high0 Ų056.9 Ų56.90%030%0.299CS..EExtended strand (participates in β ladder)trans-125.9134.8174.2-174.50000108.6K35 V38 W39 L42 P49 Q50 F128K35-V57 HydrophobicContact CG-CG2 3.7Å; V38-V57 HydrophobicContact CG1-CB 4.48Å; W39-V57 HydrophobicContact CE3-CG1 4.13Å; W39-V57 HydrophobicContact CE3-CG2 4.34Å; L42-V57 HydrophobicContact CD1-CG1 3.72Å; P49-V57 HydrophobicContact CB-CG1 3.69Å; Q50-V57 WeakPolarHBondContact O-CA 3.32Å; V57-F128 HydrophobicContact CB-CB 4.19Å; V57-F128 PolarHBondContact N-O 3.35Å; V57-F128 PolarHBondContact O-N 3.01Å
58T98.9Very high97.6Very high12 Ų1256.4 Ų56.47%0.07430%0.298CS..EExtended strand (participates in β ladder)trans-134.7152.1175-170.40000111.4Q50 C52 L126 I146Q50-T58 HydrophobicContact CB-CG2 4.18Å; Q50-T58 PolarHBondContact N-O 3.24Å; Q50-T58 PolarHBondContact O-N 2.93Å; C52-T58 HydrophobicContact CB-CG2 3.91Å; T58-L126 WeakPolarHBondContact CA-O 3.24Å; T58-L126 WeakPolarHBondContact CB-O 3.32Å; T58-L126 PolarHBondContact OG1-O 3.14Å; T58-I146 HydrophobicContact CG2-CD1 4.15Å; T58-I146 WeakPolarHBondContact OG1-CD1 3.48Å
59C98.3Very high97.6Very high5 Ų547.9 Ų47.93%0.03426%0.258CS..EExtended strand (participates in β ladder)trans-154.7166.3170.156.40000109.6Y47 K125 L126Y47-C59 HydrophobicContact CD1-CB 3.8Å; Y47-C59 WeakPolarHBondContact CD1-SG 3.21Å; C59-K125 WeakPolarHBondContact O-CA 3.07Å; C59-L126 PolarHBondContact N-O 3.46Å; C59-L126 PolarHBondContact O-N 3.48Å
60T98.4Very high97.7Very high67 Ų6747.3 Ų47.341%0.41125%0.254SS..EExtended strand (participates in β ladder)trans-125.1150177.951.90000110.6V123 V124 K125 P150T60-V123 HydrophobicContact CG2-CG1 3.99Å; T60-V124 CarbonylContact C-O 3.56Å; T60-V124 WeakPolarHBondContact CA-O 3.26Å; T60-K125 HydrophobicContact CG2-CB 4.08Å; T60-K125 HydrophobicContact CG2-CD 4.48Å; T60-K125 HydrophobicContact CG2-CG 4.02Å; T60-P150 HydrophobicContact CG2-CG 4.29Å
61I98.5Very high97.7Very high5 Ų541.3 Ų41.33%0.02623%0.226CC..EExtended strand (participates in β ladder)trans-139.8148.6175.2-169.167.3000110.8Y47 L113 K114 E117 L120 V123 V124Y47-I61 HydrophobicContact CE1-CB 3.61Å; Y47-I61 HydrophobicContact CE1-CD1 4.15Å; Y47-I61 HydrophobicContact CE1-CG1 4.18Å; Y47-I61 HydrophobicContact CE1-CG2 4.11Å; I61-L113 HydrophobicContact CG2-CB 4.04Å; I61-L113 HydrophobicContact CG2-CD1 4.26Å; I61-K114 HydrophobicContact CD1-CD 3.48Å; I61-K114 VanDerWaalsContact CD1-CD 3.48Å; I61-K114 HydrophobicContact CG1-CD 4.48Å; I61-E117 HydrophobicContact CD1-CB 4.09Å; I61-E117 HydrophobicContact CD1-CG 3.66Å; I61-E117 VanDerWaalsContact CD1-OE1 3.31Å; I61-E117 WeakPolarHBondContact CD1-OE1 3.34Å; I61-E117 WeakPolarHBondContact CD1-OE2 3.4Å; I61-E117 HydrophobicContact CG1-CB 4.2Å; I61-E117 HydrophobicContact CG1-CG 3.94Å; I61-L120 HydrophobicContact CG1-CD1 4.16Å; I61-L120 HydrophobicContact CG2-CD1 4.14Å; I61-V123 CarbonylContact O-C 3.49Å; I61-V123 VanDerWaalsContact O-CA 3.31Å; I61-V123 WeakPolarHBondContact O-CA 3.4Å; I61-V124 HydrophobicContact CG2-CB 3.79Å; I61-V124 PolarHBondContact N-O 2.65Å; I61-V124 PolarHBondContact O-N 3.44Å
62G97.3Very high97.7Very high15 Ų1538 Ų3816%0.15520%0.203CC..EExtended strand (participates in β ladder)trans88.3-178.9-178.500000113.2G122G62-G122 CarbonylContact C-O 3.45Å; G62-G122 WeakPolarHBondContact CA-O 3.19Å
63Q93.5Very high97.7Very high161 Ų16137.9 Ų37.975%0.75220%0.202SC*.  trans-143140.9-177.7-63-177.52.700109.5G122Q63-G122 PolarHBondContact N-O 3.06Å; Q63-G122 WeakPolarHBondContact O-CA 3.47Å; Q63-G122 PolarHBondContact O-N 3Å
64G93.3Very high97.7Very high47 Ų4736.6 Ų36.649%0.48519%0.189SC..SBendtrans147.6-178.317700000111.3
65E93.8Very high97.8Very high194 Ų19430 Ų3091%0.90716%0.16SC*.SBendtrans-81.9-37.4-175.5-63.7-173.7164.900112.3
66R96.9Very high97.8Very high81 Ų8128.3 Ų28.331%0.30615%0.152SC..  trans-83.3134.2-175.5-164.5161.8-170.5153.61.3111.5G122 V123 D153 C387 L388 S390R66-G122 WeakPolarHBondContact O-CA 3.43Å; R66-V123 PolarHBondContact O-N 3.46Å; R66-D153 VanDerWaalsContact CA-OD2 3.27Å; R66-D153 WeakPolarHBondContact CA-OD2 3.3Å; R66-D153 HydrophobicContact CG-CB 4.32Å; R66-C387 PolarHBondContact NE-O 3.14Å; R66-L388 HydrophobicContact CB-CD2 4.24Å; R66-L388 HydrophobicContact CG-CD2 4.28Å; R66-S390 PolarHBondContact NH1-O 2.78Å
67V98.5Very high97.8Very high4 Ų429.4 Ų29.42%0.02416%0.158CC..EExtended strand (participates in β ladder)trans-122.8119.7-177.2-173.20000110.5V123 K125 P150 K151 V152 D153 A154V67-V123 CarbonylContact C-O 3.24Å; V67-V123 VanDerWaalsContact CA-O 3.27Å; V67-V123 WeakPolarHBondContact CA-O 3.39Å; V67-V123 HydrophobicContact CB-CB 4.47Å; V67-V123 HydrophobicContact CG1-CB 4.28Å; V67-V123 HydrophobicContact CG1-CG1 4.29Å; V67-V123 HydrophobicContact CG2-CB 4.09Å; V67-K125 HydrophobicContact CG1-CB 4.18Å; V67-P150 HydrophobicContact CG1-CG 4.08Å; V67-P150 HydrophobicContact CG2-CB 3.94Å; V67-P150 HydrophobicContact CG2-CG 3.92Å; V67-K151 VanDerWaalsContact CB-O 3.23Å; V67-K151 WeakPolarHBondContact CB-O 3.42Å; V67-K151 WeakPolarHBondContact CG2-O 3.29Å; V67-V152 HydrophobicContact CG1-CG2 4.09Å; V67-D153 PolarHBondContact N-OD2 2.59Å; V67-D153 PolarHBondContact O-N 3.29Å; V67-A154 PolarHBondContact O-N 2.88Å
68F98.7Very high97.7Very high1 Ų134.3 Ų34.30%0.00419%0.19CC..EExtended strand (participates in β ladder)trans-111126.3176.9-162.8-107.1000111.5L70 V123 V124 K125 A154 A156 V306 V310 A384 C387 L388F68-L70 HydrophobicContact CD1-CD2 3.63Å; F68-L70 HydrophobicContact CD1-CG 4.34Å; F68-L70 HydrophobicContact CE1-CD2 3.46Å; F68-L70 VanDerWaalsContact CE1-CD2 3.46Å; F68-V123 PolarHBondContact N-O 3.32Å; F68-V124 CarbonylContact O-C 3.58Å; F68-V124 WeakPolarHBondContact O-CA 3.41Å; F68-K125 PolarHBondContact O-N 2.84Å; F68-A154 CarbonylContact C-O 3.54Å; F68-A154 WeakPolarHBondContact CA-O 3.45Å; F68-A154 HydrophobicContact CD2-CB 3.78Å; F68-A154 WeakPolarHBondContact CD2-O 3.4Å; F68-A154 HydrophobicContact CE2-CB 3.77Å; F68-A156 HydrophobicContact CE1-CB 3.94Å; F68-A156 HydrophobicContact CZ-CB 3.78Å; F68-V306 HydrophobicContact CE2-CG1 4.11Å; F68-V306 HydrophobicContact CZ-CG1 4.42Å; F68-V310 HydrophobicContact CZ-CG2 4.31Å; F68-A384 HydrophobicContact CD1-CB 3.85Å; F68-A384 HydrophobicContact CE1-CB 4.46Å; F68-C387 HydrophobicContact CD2-CB 3.52Å; F68-C387 HydrophobicContact CE2-CB 3.61Å; F68-C387 WeakPolarHBondContact CE2-SG 3.22Å; F68-C387 HydrophobicContact CG-CB 4.06Å; F68-C387 HydrophobicContact CZ-CB 4.2Å; F68-L388 HydrophobicContact CB-CD2 4.13Å
69L98.9Very high97.6Very high0 Ų035.9 Ų35.90%020%0.197CC..EExtended strand (participates in β ladder)trans-89.3130.7178.4174.870.9000111.1K125 L127 I146 L147 V152 A154 G155 A156 F338 I341 I345L69-K125 CarbonylContact C-O 3.51Å; L69-K125 VanDerWaalsContact CA-O 3.29Å; L69-K125 WeakPolarHBondContact CA-O 3.21Å; L69-K125 HydrophobicContact CD1-CB 4.3Å; L69-K125 HydrophobicContact CD1-CD 4.4Å; L69-K125 HydrophobicContact CD1-CG 4.07Å; L69-L127 HydrophobicContact CD1-CB 3.77Å; L69-I146 HydrophobicContact CD1-CG1 4.29Å; L69-L147 HydrophobicContact CD2-CD2 4.2Å; L69-V152 HydrophobicContact CB-CG1 3.66Å; L69-A154 PolarHBondContact N-O 3.23Å; L69-G155 CarbonylContact O-C 3.43Å; L69-G155 WeakPolarHBondContact O-CA 3.45Å; L69-A156 PolarHBondContact O-N 3.3Å; L69-F338 HydrophobicContact CD2-CE2 4.37Å; L69-I341 HydrophobicContact CD2-CD1 4.4Å; L69-I341 HydrophobicContact CD2-CG2 4.02Å; L69-I345 HydrophobicContact CD2-CD1 4.39Å
70L98.9Very high97.6Very high0 Ų040.8 Ų40.80%023%0.227CC..EExtended strand (participates in β ladder)trans-113.4123.2166.6-59.8-176.4000109.3F68 L106 L113 V124 K125 L126 L127 A156 Y380 A384F68-L70 HydrophobicContact CD1-CD2 3.63Å; F68-L70 HydrophobicContact CD1-CG 4.34Å; F68-L70 HydrophobicContact CE1-CD2 3.46Å; F68-L70 VanDerWaalsContact CE1-CD2 3.46Å; L70-L106 HydrophobicContact CB-CD1 3.62Å; L70-L106 HydrophobicContact CD1-CD1 4.28Å; L70-L113 HydrophobicContact CD1-CD1 4.43Å; L70-V124 HydrophobicContact CD1-CG1 3.8Å; L70-V124 HydrophobicContact CG-CG1 3.88Å; L70-K125 PolarHBondContact N-O 2.96Å; L70-L126 HydrophobicContact CB-CD2 4.06Å; L70-L126 HydrophobicContact CD1-CD2 4.13Å; L70-L126 HydrophobicContact CG-CD2 4.46Å; L70-L127 PolarHBondContact O-N 2.89Å; L70-A156 WeakPolarHBondContact CA-O 3.2Å; L70-A156 HydrophobicContact CD2-CB 4.48Å; L70-Y380 HydrophobicContact CB-CD1 4.12Å; L70-Y380 HydrophobicContact CB-CE1 4.35Å; L70-Y380 HydrophobicContact CD1-CD1 4.02Å; L70-Y380 HydrophobicContact CD1-CG 4.32Å; L70-Y380 HydrophobicContact CD2-CD1 3.9Å; L70-Y380 HydrophobicContact CG-CD1 4.24Å; L70-A384 HydrophobicContact CD1-CB 4.17Å; L70-A384 HydrophobicContact CD2-CB 4.38Å; L70-A384 HydrophobicContact CG-CB 4.47Å
71R98.8Very high97.6Very high1 Ų138.4 Ų38.40%0.00421%0.211CC..EExtended strand (participates in β ladder)trans-111.2133.7-179.2-180-83.7-166.1153.812.3111.4D73 L127 Q129 A156 M157 E336 D337 F338 Y380R71-D73 IonicContact CZ-OD2 2.65Å; R71-D73 VanDerWaalsContact CZ-OD2 3.27Å; R71-D73 IonicContact NE-OD2 3.89Å; R71-D73 IonicContact NH1-OD2 3.87Å; R71-D73 PolarHBondContact NH1-OD2 3.01Å; R71-D73 IonicContact NH2-OD2 3.19Å; R71-L127 WeakPolarHBondContact CA-O 3.17Å; R71-L127 HydrophobicContact CB-CB 4.4Å; R71-L127 HydrophobicContact CB-CD2 4.31Å; R71-L127 HydrophobicContact CG-CB 4.46Å; R71-L127 HydrophobicContact CG-CD2 3.76Å; R71-L127 HydrophobicContact CG-CG 4.14Å; R71-Q129 HydrophobicContact CG-CB 4.35Å; R71-Q129 VanDerWaalsContact NH2-CD 3.31Å; R71-Q129 VanDerWaalsContact NH2-OE1 3.16Å; R71-A156 PolarHBondContact N-O 3.49Å; R71-M157 HydrophobicContact CB-CB 4.19Å; R71-E336 IonicContact CZ-OE1 2.65Å; R71-E336 VanDerWaalsContact CZ-OE1 3.3Å; R71-E336 IonicContact NH1-OE1 2.73Å; R71-E336 PolarHBondContact NH1-OE1 3.33Å; R71-E336 IonicContact NH1-OE2 3.79Å; R71-E336 PolarHBondContact NH1-OE2 2.65Å; R71-E336 IonicContact NH2-OE1 3.39Å; R71-E336 PolarHBondContact NH2-OE1 3.32Å; R71-D337 IonicContact NH2-OD1 3.53Å; R71-D337 PolarHBondContact NH2-OD1 3.46Å; R71-F338 HydrophobicContact CB-CD2 3.98Å; R71-F338 HydrophobicContact CB-CE2 3.7Å; R71-F338 HydrophobicContact CG-CD2 3.95Å; R71-F338 HydrophobicContact CG-CE2 4.17Å; R71-Y380 PolarHBondContact O-OH 2.89Å
72G98.7Very high97.6Very high0 Ų042.7 Ų42.70%023%0.234CC..EExtended strand (participates in β ladder)trans-131.6126.6165.100000109.3L127 F128 Q129G72-L127 PolarHBondContact N-O 3.34Å; G72-F128 CarbonylContact O-C 3.54Å; G72-F128 VanDerWaalsContact O-CA 3.26Å; G72-F128 WeakPolarHBondContact O-CA 3.36Å; G72-Q129 PolarHBondContact O-N 3.15Å
73D98.6Very high97.6Very high1 Ų142.4 Ų42.41%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-76.5160.917244.454.3000111.5R71 H99 H102 T103 Q129 E132R71-D73 IonicContact CZ-OD2 2.65Å; R71-D73 VanDerWaalsContact CZ-OD2 3.27Å; R71-D73 IonicContact NE-OD2 3.89Å; R71-D73 IonicContact NH1-OD2 3.87Å; R71-D73 PolarHBondContact NH1-OD2 3.01Å; R71-D73 IonicContact NH2-OD2 3.19Å; D73-H99 VanDerWaalsContact CG-CD2 3.47Å; D73-H99 WeakPolarHBondContact OD1-CA 3.48Å; D73-H99 VanDerWaalsContact OD1-CB 3.25Å; D73-H99 WeakPolarHBondContact OD1-CB 3.02Å; D73-H99 IonicContact OD1-CD2 3.18Å; D73-H99 PolarHBondContact OD1-CD2 3.4Å; D73-H99 IonicContact OD1-CE1 2.79Å; D73-H99 IonicContact OD1-CG 3.8Å; D73-H99 IonicContact OD1-ND1 2.74Å; D73-H99 PolarHBondContact OD1-ND1 3.1Å; D73-H99 IonicContact OD1-NE2 3.44Å; D73-H99 PolarHBondContact OD1-NE2 3.43Å; D73-H99 IonicContact OD2-NE2 3.27Å; D73-H102 VanDerWaalsContact CG-ND1 3.31Å; D73-H102 WeakPolarHBondContact OD1-CB 3.19Å; D73-H102 IonicContact OD1-CE1 3.61Å; D73-H102 IonicContact OD1-CG 3.12Å; D73-H102 IonicContact OD1-ND1 2.8Å; D73-H102 PolarHBondContact OD1-ND1 3.12Å; D73-H102 IonicContact OD2-CE1 3.7Å; D73-H102 IonicContact OD2-ND1 3.94Å; D73-H102 PolarHBondContact OD2-ND1 2.74Å; D73-T103 PolarHBondContact O-OG1 2.82Å; D73-Q129 CarbonylContact C-O 3.56Å; D73-Q129 VanDerWaalsContact CA-O 3.24Å; D73-Q129 WeakPolarHBondContact CA-O 3.47Å; D73-E132 HydrophobicContact CB-CB 3.86Å; D73-E132 HydrophobicContact CB-CG 4.34Å
74M98.7Very high97.8Very high0 Ų042.4 Ų42.40%024%0.235CC..  trans-132.9-17.8-171-54.5-167.8-73.900114.5L31 T34 V38 H95 T103 F128 Q129L31-M74 HydrophobicContact CD1-CE 3.72Å; L31-M74 HydrophobicContact CD2-CB 4.38Å; T34-M74 HydrophobicContact CG2-CB 3.93Å; T34-M74 HydrophobicContact CG2-SD 4.09Å; V38-M74 HydrophobicContact CB-SD 4.31Å; V38-M74 HydrophobicContact CG1-SD 4.42Å; V38-M74 HydrophobicContact CG2-SD 3.79Å; M74-H95 PolarHBondContact O-CE1 2.93Å; M74-H95 VanDerWaalsContact O-CE1 3.24Å; M74-T103 WeakPolarHBondContact CA-OG1 3.5Å; M74-T103 HydrophobicContact CG-CG2 4.33Å; M74-T103 WeakPolarHBondContact CG-OG1 3.28Å; M74-F128 HydrophobicContact CE-CB 4.06Å; M74-F128 WeakPolarHBondContact CE-O 3.22Å; M74-F128 HydrophobicContact CG-CB 4.11Å; M74-F128 HydrophobicContact SD-CB 3.61Å; M74-F128 HydrophobicContact SD-CD1 4.49Å; M74-F128 HydrophobicContact SD-CG 4.48Å; M74-Q129 PolarHBondContact N-O 2.92Å
75D98.6Very high98Very high0 Ų041.8 Ų41.80%022%0.22CC..  trans-76.4155.5-174.761.1-52.9000112.5G28 L31 H99 G131 E132 E133G28-D75 WeakPolarHBondContact O-CB 3.47Å; L31-D75 HydrophobicContact CD2-CB 3.76Å; D75-H99 VanDerWaalsContact O-CB 3.26Å; D75-H99 WeakPolarHBondContact O-CB 2.98Å; D75-H99 VanDerWaalsContact O-CG 3.3Å; D75-H99 PolarHBondContact O-ND1 2.83Å; D75-H99 IonicContact OD1-ND1 3.29Å; D75-G131 VanDerWaalsContact CG-CA 3.48Å; D75-G131 PolarHBondContact OD1-N 3.1Å; D75-G131 VanDerWaalsContact OD2-CA 3.23Å; D75-G131 WeakPolarHBondContact OD2-CA 3.15Å; D75-G131 PolarHBondContact OD2-N 3.19Å; D75-E132 VanDerWaalsContact CG-N 3.35Å; D75-E132 PolarHBondContact OD1-N 3.18Å; D75-E132 PolarHBondContact OD2-N 3.21Å; D75-E133 WeakPolarHBondContact OD2-CB 3.37Å; D75-E133 PolarHBondContact OD2-N 3.18Å
76A98.5Very high98.2Very high1 Ų141.5 Ų41.51%0.00822%0.218CC..BIsolated β-bridgetrans-105.3172.8175.600000111.9P25 E26 V27 A93P25-A76 HydrophobicContact CB-CB 3.36Å; E26-A76 WeakPolarHBondContact O-CB 3.46Å; E26-A76 PolarHBondContact O-N 3.05Å; V27-A76 HydrophobicContact CG2-CB 4.48Å; A76-A93 HydrophobicContact CB-CB 4.46Å
77L98.2Very high98.2Very high23 Ų2338.2 Ų38.212%0.1221%0.206CC..BIsolated β-bridgetrans-93.8147.3173.5-75.4162.5000111.3L79 A93 M94 A96 C97 E133 H362L77-L79 HydrophobicContact CB-CB 4.12Å; L77-L79 PolarHBondContact O-N 3.28Å; L77-A93 CarbonylContact O-C 3.58Å; L77-A93 WeakPolarHBondContact O-CA 3.1Å; L77-A93 VanDerWaalsContact O-CB 3.32Å; L77-A93 WeakPolarHBondContact O-CB 3.27Å; L77-M94 PolarHBondContact N-O 3.11Å; L77-M94 PolarHBondContact O-N 2.89Å; L77-A96 HydrophobicContact CD1-CB 4.16Å; L77-C97 HydrophobicContact CD1-CB 4.4Å; L77-E133 WeakPolarHBondContact CD1-OE1 3.29Å; L77-E133 HydrophobicContact CD2-CB 4.08Å; L77-E133 VanDerWaalsContact CD2-CD 3.44Å; L77-E133 HydrophobicContact CD2-CG 3.86Å; L77-E133 WeakPolarHBondContact CD2-OE2 3.3Å; L77-E133 HydrophobicContact CG-CG 4.03Å; L77-E133 WeakPolarHBondContact CG-OE1 3.4Å; L77-H362 HydrophobicContact CD1-CB 4.04Å
78P97.5Very high98.2Very high103 Ų10343 Ų4367%0.66922%0.224SC*.SBendtrans-75.265.1169.533.9-35000110.5V27V27-P78 HydrophobicContact CG1-CB 4.43Å; V27-P78 HydrophobicContact CG1-CG 4.41Å; V27-P78 HydrophobicContact CG2-CB 4.49Å
79L96.7Very high98.1Very high45 Ų4543.3 Ų43.324%0.23623%0.226CC..  trans-128.6128-175.8-178.870.8000108.9L77 E81 G92 A93 M94 A96 P364L77-L79 HydrophobicContact CB-CB 4.12Å; L77-L79 PolarHBondContact O-N 3.28Å; L79-E81 PolarHBondContact O-N 2.86Å; L79-G92 CarbonylContact C-O 3.58Å; L79-G92 PolarHBondContact N-O 3.16Å; L79-G92 CarbonylContact O-C 3.55Å; L79-A93 CarbonylContact O-C 3.37Å; L79-A93 WeakPolarHBondContact O-CA 3.39Å; L79-M94 HydrophobicContact CB-CB 4.48Å; L79-M94 HydrophobicContact CD2-SD 4.3Å; L79-M94 WeakPolarHBondContact O-CB 3.31Å; L79-M94 PolarHBondContact O-N 2.87Å; L79-A96 HydrophobicContact CD2-CB 3.61Å; L79-P364 HydrophobicContact CD1-CB 4.27Å; L79-P364 HydrophobicContact CD2-CB 4.19Å; L79-P364 HydrophobicContact CG-CB 4.2Å
80V98.3Very high98.1Very high108 Ų10851.4 Ų51.466%0.65526%0.264SS*.  trans-74.3121.4174.8-177.40000109P364V80-P364 VanDerWaalsContact O-CB 3.27Å; V80-P364 WeakPolarHBondContact O-CB 3.48Å
81E98.4Very high98Very high16 Ų1655.9 Ų55.98%0.07529%0.288CS..  trans-66.2132.6176.6-173.7168.9171.700111.7H22 L79 T83 R88 S89 M94H22-E81 IonicContact CD2-OE2 3.86Å; H22-E81 IonicContact NE2-OE1 3.9Å; H22-E81 PolarHBondContact NE2-OE1 3.29Å; H22-E81 IonicContact NE2-OE2 2.69Å; H22-E81 PolarHBondContact NE2-OE2 2.74Å; L79-E81 PolarHBondContact O-N 2.86Å; E81-T83 HydrophobicContact CG-CG2 3.73Å; E81-T83 WeakPolarHBondContact OE1-CG2 2.91Å; E81-T83 PolarHBondContact OE1-OG1 3.24Å; E81-R88 HydrophobicContact CG-CB 4.06Å; E81-R88 VanDerWaalsContact OE1-CB 3.25Å; E81-R88 WeakPolarHBondContact OE1-CB 3.38Å; E81-R88 VanDerWaalsContact OE2-CA 3.27Å; E81-R88 WeakPolarHBondContact OE2-CA 3.23Å; E81-R88 WeakPolarHBondContact OE2-CB 3.23Å; E81-S89 PolarHBondContact OE2-N 2.84Å; E81-S89 PolarHBondContact OE2-OG 2.76Å; E81-M94 HydrophobicContact CB-CB 4.19Å; E81-M94 HydrophobicContact CB-CE 4.48Å; E81-M94 HydrophobicContact CB-CG 3.9Å; E81-M94 HydrophobicContact CB-SD 3.74Å; E81-M94 HydrophobicContact CG-CE 3.75Å; E81-M94 HydrophobicContact CG-CG 4.08Å; E81-M94 HydrophobicContact CG-SD 3.66Å
82D97.9Very high97.9Very high95 Ų9557.4 Ų57.451%0.50830%0.304SS..  trans-124.750.8179.1-171.820.9000109.8P364 K365D82-P364 CarbonylContact C-O 3.58Å; D82-P364 HydrophobicContact CB-CB 3.99Å; D82-P364 PolarHBondContact N-O 2.71Å; D82-K365 HydrophobicContact CB-CG 4.27Å; D82-K365 WeakPolarHBondContact O-CG 3.47Å; D82-K365 WeakPolarHBondContact OD2-CE 3.25Å; D82-K365 IonicContact OD2-NZ 3.94Å; D82-K365 PolarHBondContact OD2-NZ 3.2Å
83T98Very high97.9Very high9 Ų957.7 Ų57.76%0.05531%0.307CS..  trans-112.3165175.980.80000111.5E81 L85 R88 M94 V367E81-T83 HydrophobicContact CG-CG2 3.73Å; E81-T83 WeakPolarHBondContact OE1-CG2 2.91Å; E81-T83 PolarHBondContact OE1-OG1 3.24Å; T83-L85 WeakPolarHBondContact OG1-CB 3.29Å; T83-L85 WeakPolarHBondContact OG1-CG 3.14Å; T83-L85 PolarHBondContact OG1-N 2.96Å; T83-R88 WeakPolarHBondContact O-CD 3.35Å; T83-R88 PolarHBondContact O-NH1 3.32Å; T83-M94 HydrophobicContact CG2-CE 4.07Å; T83-V367 HydrophobicContact CG2-CG2 3.97Å
84D97Very high97.9Very high162 Ų16257.7 Ų57.787%0.86631%0.307SS*.  trans-95.716.9172.4-66-43.9000112.7
85L97.8Very high97.9Very high34 Ų3457.9 Ų57.918%0.17831%0.307CS..  trans-66.6136-179.7-65.7173.9000111.1T83 F87 R88 V367T83-L85 WeakPolarHBondContact OG1-CB 3.29Å; T83-L85 WeakPolarHBondContact OG1-CG 3.14Å; T83-L85 PolarHBondContact OG1-N 2.96Å; L85-F87 HydrophobicContact CB-CD1 4.44Å; L85-F87 HydrophobicContact CB-CE1 4.36Å; L85-F87 HydrophobicContact CB-CZ 4.43Å; L85-F87 HydrophobicContact CD1-CE2 3.88Å; L85-F87 HydrophobicContact CD1-CZ 3.86Å; L85-F87 HydrophobicContact CD2-CE1 4.04Å; L85-F87 HydrophobicContact CD2-CZ 3.99Å; L85-F87 HydrophobicContact CG-CZ 4.32Å; L85-F87 PolarHBondContact O-N 2.82Å; L85-F87 VanDerWaalsContact O-N 3.12Å; L85-R88 HydrophobicContact CB-CB 4.29Å; L85-R88 WeakPolarHBondContact O-CG 3.48Å; L85-R88 PolarHBondContact O-N 3.19Å; L85-R88 VanDerWaalsContact O-N 3.16Å; L85-V367 HydrophobicContact CD1-CG1 4.29Å; L85-V367 HydrophobicContact CD1-CG2 4.17Å; L85-V367 HydrophobicContact CD2-CG1 3.98Å; L85-V367 HydrophobicContact CD2-CG2 4.42Å; L85-V367 HydrophobicContact CG-CG2 4.26Å
86E97.7Very high97.9Very high187 Ų18757.9 Ų57.987%0.87431%0.307SS*.THydrogen-bonded Turntrans-62.4-18.6174.3-63.8-175.8154.800113
87F97.8Very high97.8Very high12 Ų1258 Ų585%0.05331%0.308CS..THydrogen-bonded Turntrans-116.420.8-179.662.5-93.2000112.6R19 H22 R23 L85R19-F87 HydrophobicContact CB-CB 4.14Å; R19-F87 HydrophobicContact CB-CD2 4.24Å; R19-F87 HydrophobicContact CB-CG 4.09Å; R19-F87 HydrophobicContact CG-CB 4.23Å; R19-F87 HydrophobicContact CG-CD1 3.8Å; R19-F87 HydrophobicContact CG-CD2 3.86Å; R19-F87 HydrophobicContact CG-CE1 4.06Å; R19-F87 HydrophobicContact CG-CE2 4.12Å; R19-F87 HydrophobicContact CG-CG 3.69Å; R19-F87 HydrophobicContact CG-CZ 4.21Å; H22-F87 HydrophobicContact CB-CD2 3.99Å; H22-F87 HydrophobicContact CB-CE2 4.27Å; H22-F87 AromaticContact CD2-CD2 3.99Å; R23-F87 HydrophobicContact CG-CB 3.89Å; R23-F87 WeakPolarHBondContact CG-O 3.42Å; L85-F87 HydrophobicContact CB-CD1 4.44Å; L85-F87 HydrophobicContact CB-CE1 4.36Å; L85-F87 HydrophobicContact CB-CZ 4.43Å; L85-F87 HydrophobicContact CD1-CE2 3.88Å; L85-F87 HydrophobicContact CD1-CZ 3.86Å; L85-F87 HydrophobicContact CD2-CE1 4.04Å; L85-F87 HydrophobicContact CD2-CZ 3.99Å; L85-F87 HydrophobicContact CG-CZ 4.32Å; L85-F87 PolarHBondContact O-N 2.82Å; L85-F87 VanDerWaalsContact O-N 3.12Å
88R98.2Very high97.8Very high105 Ų10557 Ų5740%0.39630%0.303SS..  trans-55.8152.5171.969.1179.1179.2-138-5.8111.6E81 T83 L85E81-R88 HydrophobicContact CG-CB 4.06Å; E81-R88 VanDerWaalsContact OE1-CB 3.25Å; E81-R88 WeakPolarHBondContact OE1-CB 3.38Å; E81-R88 VanDerWaalsContact OE2-CA 3.27Å; E81-R88 WeakPolarHBondContact OE2-CA 3.23Å; E81-R88 WeakPolarHBondContact OE2-CB 3.23Å; T83-R88 WeakPolarHBondContact O-CD 3.35Å; T83-R88 PolarHBondContact O-NH1 3.32Å; L85-R88 HydrophobicContact CB-CB 4.29Å; L85-R88 WeakPolarHBondContact O-CG 3.48Å; L85-R88 PolarHBondContact O-N 3.19Å; L85-R88 VanDerWaalsContact O-N 3.16Å
89S98Very high97.9Very high7 Ų752 Ų525%0.04927%0.271CS..  trans-70.8155.4171.373.40000111.8P25 E81 A93P25-S89 VanDerWaalsContact CG-CB 3.49Å; E81-S89 PolarHBondContact OE2-N 2.84Å; E81-S89 PolarHBondContact OE2-OG 2.76Å; S89-A93 VanDerWaalsContact CB-O 3.26Å; S89-A93 WeakPolarHBondContact CB-O 3.4Å; S89-A93 PolarHBondContact OG-O 2.83Å
90E97.1Very high98Very high171 Ų17149.9 Ų49.980%0.79926%0.26SS*.  trans-129.46.6177.2-61.7-170153.500113.1
91N97.6Very high98Very high94 Ų9444.8 Ų44.850%0.50323%0.228SC..SBendtrans-100.27.8-175.969.9-8.7000114P25 A93P25-N91 WeakPolarHBondContact CG-OD1 3.38Å; P25-N91 PolarHBondContact O-ND2 3.36Å; N91-A93 PolarHBondContact OD1-N 3.44Å
92G97.6Very high98Very high33 Ų3344 Ų4434%0.3423%0.225SC..SBendtrans81.19.3178.300000115.6L79L79-G92 CarbonylContact C-O 3.58Å; L79-G92 PolarHBondContact N-O 3.16Å; L79-G92 CarbonylContact O-C 3.55Å
93A98.5Very high98.1Very high6 Ų639.5 Ų39.55%0.0520%0.201CC..  trans-118.4161.5169.100000110.4P25 V27 A76 L77 L79 S89 N91P25-A93 HydrophobicContact CB-CB 4.04Å; P25-A93 VanDerWaalsContact CG-C 3.49Å; P25-A93 HydrophobicContact CG-CB 3.92Å; P25-A93 WeakPolarHBondContact CG-O 3.31Å; V27-A93 HydrophobicContact CG2-CB 3.56Å; A76-A93 HydrophobicContact CB-CB 4.46Å; L77-A93 CarbonylContact O-C 3.58Å; L77-A93 WeakPolarHBondContact O-CA 3.1Å; L77-A93 VanDerWaalsContact O-CB 3.32Å; L77-A93 WeakPolarHBondContact O-CB 3.27Å; L79-A93 CarbonylContact O-C 3.37Å; L79-A93 WeakPolarHBondContact O-CA 3.39Å; S89-A93 VanDerWaalsContact CB-O 3.26Å; S89-A93 WeakPolarHBondContact CB-O 3.4Å; S89-A93 PolarHBondContact OG-O 2.83Å; N91-A93 PolarHBondContact OD1-N 3.44Å
94M98.5Very high98.1Very high1 Ų139.1 Ų39.11%0.00520%0.198CC..BIsolated β-bridgetrans-152.2140.8-178.2-175.1-171.4177.600110.5L77 L79 E81 T83 A96 I366L77-M94 PolarHBondContact N-O 3.11Å; L77-M94 PolarHBondContact O-N 2.89Å; L79-M94 HydrophobicContact CB-CB 4.48Å; L79-M94 HydrophobicContact CD2-SD 4.3Å; L79-M94 WeakPolarHBondContact O-CB 3.31Å; L79-M94 PolarHBondContact O-N 2.87Å; E81-M94 HydrophobicContact CB-CB 4.19Å; E81-M94 HydrophobicContact CB-CE 4.48Å; E81-M94 HydrophobicContact CB-CG 3.9Å; E81-M94 HydrophobicContact CB-SD 3.74Å; E81-M94 HydrophobicContact CG-CE 3.75Å; E81-M94 HydrophobicContact CG-CG 4.08Å; E81-M94 HydrophobicContact CG-SD 3.66Å; T83-M94 HydrophobicContact CG2-CE 4.07Å; M94-A96 HydrophobicContact CB-CB 4.43Å; M94-A96 HydrophobicContact CE-CB 4.27Å; M94-A96 HydrophobicContact CG-CB 4.04Å; M94-A96 PolarHBondContact O-N 2.85Å; M94-A96 HydrophobicContact SD-CB 3.75Å; M94-I366 HydrophobicContact CE-CG2 3.91Å; M94-I366 WeakPolarHBondContact CE-O 3.41Å
95H98.5Very high98.2Very high4 Ų431.4 Ų31.42%0.01916%0.157CC..  trans-76.854.3167.9-68.3-76.3000111.3L21 M74 C97 G98 D100L21-H95 PolarHBondContact O-NE2 2.8Å; M74-H95 PolarHBondContact O-CE1 2.93Å; M74-H95 VanDerWaalsContact O-CE1 3.24Å; H95-C97 PolarHBondContact O-N 3.16Å; H95-G98 PolarHBondContact O-N 3.01Å; H95-D100 HydrophobicContact CB-CB 3.89Å; H95-D100 WeakPolarHBondContact CB-OD1 3.33Å; H95-D100 PolarHBondContact ND1-N 3.26Å
96A97.5Very high98.3Very high0 Ų029.8 Ų29.80%015%0.149CC..THydrogen-bonded Turntrans-71.6-8.7-177.600000113.9L77 L79 M94 L361 H362 I366L77-A96 HydrophobicContact CD1-CB 4.16Å; L79-A96 HydrophobicContact CD2-CB 3.61Å; M94-A96 HydrophobicContact CB-CB 4.43Å; M94-A96 HydrophobicContact CE-CB 4.27Å; M94-A96 HydrophobicContact CG-CB 4.04Å; M94-A96 PolarHBondContact O-N 2.85Å; M94-A96 HydrophobicContact SD-CB 3.75Å; A96-L361 WeakPolarHBondContact O-CA 3.33Å; A96-H362 PolarHBondContact O-N 3.29Å; A96-I366 HydrophobicContact CB-CG2 4.07Å
97C98Very high98.3Very high4 Ų420.9 Ų20.93%0.02711%0.107CC..THydrogen-bonded Turntrans-90.1-18.5167.5-161.80000112.7L77 H95 H99 E133 H159L77-C97 HydrophobicContact CD1-CB 4.4Å; H95-C97 PolarHBondContact O-N 3.16Å; C97-H99 PolarHBondContact SG-NE2 3.06Å; C97-H99 VanDerWaalsContact SG-NE2 3.35Å; C97-E133 WeakPolarHBondContact CB-OE1 3.48Å; C97-H159 PolarHBondContact O-CE1 3.08Å; C97-H159 VanDerWaalsContact O-CE1 3.3Å; C97-H159 PolarHBondContact SG-CE1 3.25Å; C97-H159 PolarHBondContact SG-NE2 2.97Å
98G98.2Very high98.4Very high0 Ų020.3 Ų20.30%010%0.104CC..  trans95.616.6179.400000115.2H95 D100 M101 H102H95-G98 PolarHBondContact O-N 3.01Å; G98-D100 VanDerWaalsContact C-OD1 3.27Å; G98-D100 WeakPolarHBondContact CA-OD1 3.39Å; G98-D100 PolarHBondContact O-N 3.23Å; G98-M101 WeakPolarHBondContact O-CA 3.14Å; G98-M101 VanDerWaalsContact O-CB 3.27Å; G98-M101 WeakPolarHBondContact O-CB 3.04Å; G98-M101 PolarHBondContact O-N 2.79Å; G98-H102 PolarHBondContact O-CD2 3.09Å; G98-H102 VanDerWaalsContact O-CD2 3.28Å; G98-H102 PolarHBondContact O-N 3.12Å; G98-H102 VanDerWaalsContact O-N 3.08Å
99H98.7Very high98.4Very high0 Ų015.3 Ų15.30%09%0.086CC..Hα-helixtrans-62.9-25.4-178.4-62.7-175.2000113.1D73 D75 C97 M101 H102 T103 E132 E133D73-H99 VanDerWaalsContact CG-CD2 3.47Å; D73-H99 WeakPolarHBondContact OD1-CA 3.48Å; D73-H99 VanDerWaalsContact OD1-CB 3.25Å; D73-H99 WeakPolarHBondContact OD1-CB 3.02Å; D73-H99 IonicContact OD1-CD2 3.18Å; D73-H99 PolarHBondContact OD1-CD2 3.4Å; D73-H99 IonicContact OD1-CE1 2.79Å; D73-H99 IonicContact OD1-CG 3.8Å; D73-H99 IonicContact OD1-ND1 2.74Å; D73-H99 PolarHBondContact OD1-ND1 3.1Å; D73-H99 IonicContact OD1-NE2 3.44Å; D73-H99 PolarHBondContact OD1-NE2 3.43Å; D73-H99 IonicContact OD2-NE2 3.27Å; D75-H99 VanDerWaalsContact O-CB 3.26Å; D75-H99 WeakPolarHBondContact O-CB 2.98Å; D75-H99 VanDerWaalsContact O-CG 3.3Å; D75-H99 PolarHBondContact O-ND1 2.83Å; D75-H99 IonicContact OD1-ND1 3.29Å; C97-H99 PolarHBondContact SG-NE2 3.06Å; C97-H99 VanDerWaalsContact SG-NE2 3.35Å; H99-M101 VanDerWaalsContact C-N 3.28Å; H99-M101 PolarHBondContact O-N 2.99Å; H99-H102 AromaticContact CD2-CE1 3.54Å; H99-H102 AromaticContact CD2-ND1 3.45Å; H99-H102 PolarHBondContact CD2-ND1 3.48Å; H99-H102 PolarHBondContact O-N 2.71Å; H99-T103 WeakPolarHBondContact O-CB 3.34Å; H99-T103 PolarHBondContact O-N 2.9Å; H99-T103 PolarHBondContact O-OG1 2.84Å; H99-T103 VanDerWaalsContact O-OG1 3.04Å; H99-E132 IonicContact CE1-OE2 3.55Å; H99-E133 IonicContact CE1-OE1 3.82Å; H99-E133 IonicContact NE2-OE1 2.86Å
100D98.8Very high98.4Very high0 Ų015 Ų150%08%0.083CC..Hα-helixtrans-58.4-40.5167.462.6-33.1000111.6R18 L21 H22 H95 G98 T104R18-D100 HydrophobicContact CG-CB 4.22Å; R18-D100 VanDerWaalsContact CG-OD2 3.25Å; R18-D100 WeakPolarHBondContact CG-OD2 3.44Å; R18-D100 IonicContact CZ-OD2 2.71Å; R18-D100 IonicContact NE-OD2 3.18Å; R18-D100 PolarHBondContact NE-OD2 3.38Å; R18-D100 IonicContact NH2-OD2 2.61Å; L21-D100 HydrophobicContact CB-CB 4.05Å; H22-D100 IonicContact CE1-OD2 3.45Å; H22-D100 IonicContact CG-OD2 2.81Å; H22-D100 IonicContact ND1-OD2 3.61Å; H22-D100 PolarHBondContact ND1-OD2 3.38Å; H95-D100 HydrophobicContact CB-CB 3.89Å; H95-D100 WeakPolarHBondContact CB-OD1 3.33Å; H95-D100 PolarHBondContact ND1-N 3.26Å; G98-D100 VanDerWaalsContact C-OD1 3.27Å; G98-D100 WeakPolarHBondContact CA-OD1 3.39Å; G98-D100 PolarHBondContact O-N 3.23Å; D100-T104 VanDerWaalsContact O-CB 3.22Å; D100-T104 WeakPolarHBondContact O-CB 3.48Å; D100-T104 PolarHBondContact O-N 3.41Å; D100-T104 PolarHBondContact O-OG1 3.49Å
101M98.8Very high98.5Very high0 Ų08.9 Ų8.90%05%0.054CC..Hα-helixtrans-73.2-40.4175.5-55.7-170.176.700111.7R18 G98 H99 T104 M105 V160 A354 L368 D369 I372 L373R18-M101 HydrophobicContact CG-CG 4.32Å; R18-M101 VanDerWaalsContact CZ-SD 3.52Å; R18-M101 VanDerWaalsContact NH1-CE 3.32Å; R18-M101 PolarHBondContact NH1-SD 2.97Å; R18-M101 VanDerWaalsContact NH1-SD 3.45Å; G98-M101 WeakPolarHBondContact O-CA 3.14Å; G98-M101 VanDerWaalsContact O-CB 3.27Å; G98-M101 WeakPolarHBondContact O-CB 3.04Å; G98-M101 PolarHBondContact O-N 2.79Å; H99-M101 VanDerWaalsContact C-N 3.28Å; H99-M101 PolarHBondContact O-N 2.99Å; M101-T104 PolarHBondContact O-N 2.97Å; M101-M105 HydrophobicContact CB-CE 4.48Å; M101-M105 WeakPolarHBondContact O-CB 3.39Å; M101-M105 WeakPolarHBondContact O-CE 3.43Å; M101-M105 WeakPolarHBondContact O-CG 3.26Å; M101-M105 PolarHBondContact O-N 3.31Å; M101-V160 HydrophobicContact CB-CG1 4.01Å; M101-V160 HydrophobicContact CB-CG2 4.22Å; M101-V160 HydrophobicContact SD-CG1 4.31Å; M101-V160 HydrophobicContact SD-CG2 4.13Å; M101-A354 HydrophobicContact SD-CB 4.41Å; M101-L368 HydrophobicContact SD-CB 3.44Å; M101-L368 WeakPolarHBondContact SD-CB 3.37Å; M101-L368 HydrophobicContact SD-CD1 3.9Å; M101-L368 HydrophobicContact SD-CG 4.33Å; M101-D369 VanDerWaalsContact CE-O 3.3Å; M101-D369 WeakPolarHBondContact CE-O 3.35Å; M101-I372 HydrophobicContact CE-CD1 3.69Å; M101-I372 HydrophobicContact CE-CG1 3.41Å; M101-I372 VanDerWaalsContact CE-CG1 3.41Å; M101-L373 HydrophobicContact CB-CD2 4.12Å; M101-L373 HydrophobicContact CE-CD2 3.74Å; M101-L373 HydrophobicContact CE-CG 4.2Å; M101-L373 HydrophobicContact CG-CD2 4.28Å
102H98.9Very high98.6Very high0 Ų05.6 Ų5.60%04%0.037CC..Hα-helixtrans-58.8-51178-58.3172.5000110.7D73 G98 H99 T104 M105 L106 H159 V160D73-H102 VanDerWaalsContact CG-ND1 3.31Å; D73-H102 WeakPolarHBondContact OD1-CB 3.19Å; D73-H102 IonicContact OD1-CE1 3.61Å; D73-H102 IonicContact OD1-CG 3.12Å; D73-H102 IonicContact OD1-ND1 2.8Å; D73-H102 PolarHBondContact OD1-ND1 3.12Å; D73-H102 IonicContact OD2-CE1 3.7Å; D73-H102 IonicContact OD2-ND1 3.94Å; D73-H102 PolarHBondContact OD2-ND1 2.74Å; G98-H102 PolarHBondContact O-CD2 3.09Å; G98-H102 VanDerWaalsContact O-CD2 3.28Å; G98-H102 PolarHBondContact O-N 3.12Å; G98-H102 VanDerWaalsContact O-N 3.08Å; H99-H102 AromaticContact CD2-CE1 3.54Å; H99-H102 AromaticContact CD2-ND1 3.45Å; H99-H102 PolarHBondContact CD2-ND1 3.48Å; H99-H102 PolarHBondContact O-N 2.71Å; H102-T104 PolarHBondContact O-N 3.43Å; H102-M105 PolarHBondContact O-N 3.07Å; H102-L106 WeakPolarHBondContact O-CB 3.42Å; H102-L106 PolarHBondContact O-N 3.33Å; H102-H159 AromaticContact CE1-CD2 3.64Å; H102-H159 AromaticContact CE1-CE1 3.61Å; H102-H159 AromaticContact CE1-CG 3.51Å; H102-H159 AromaticContact CE1-ND1 3.52Å; H102-H159 AromaticContact CE1-NE2 3.74Å; H102-H159 WeakPolarHBondContact NE2-CA 3.36Å; H102-H159 AromaticContact NE2-CE1 3.89Å; H102-H159 AromaticContact NE2-CG 3.74Å; H102-H159 AromaticContact NE2-ND1 3.49Å; H102-H159 PolarHBondContact NE2-ND1 3.29Å; H102-V160 WeakPolarHBondContact NE2-CG2 3.49Å; H102-V160 PolarHBondContact NE2-N 2.86Å
103T98.9Very high98.6Very high1 Ų14.1 Ų4.11%0.0062%0.021CC..Hα-helixtrans-57.3-48.9174.5-62.70000111.5L21 V38 D73 M74 H99 L106 L107 F128L21-T103 HydrophobicContact CD1-CG2 3.62Å; V38-T103 HydrophobicContact CG2-CG2 3.57Å; D73-T103 PolarHBondContact O-OG1 2.82Å; M74-T103 WeakPolarHBondContact CA-OG1 3.5Å; M74-T103 HydrophobicContact CG-CG2 4.33Å; M74-T103 WeakPolarHBondContact CG-OG1 3.28Å; H99-T103 WeakPolarHBondContact O-CB 3.34Å; H99-T103 PolarHBondContact O-N 2.9Å; H99-T103 PolarHBondContact O-OG1 2.84Å; H99-T103 VanDerWaalsContact O-OG1 3.04Å; T103-L106 PolarHBondContact O-N 2.98Å; T103-L107 HydrophobicContact CG2-CD1 4.29Å; T103-L107 PolarHBondContact O-N 3.22Å; T103-F128 HydrophobicContact CG2-CD1 4.11Å; T103-F128 HydrophobicContact CG2-CE1 4.32Å
104T98.9Very high98.6Very high0 Ų06.8 Ų6.80%03%0.031CC..Hα-helixtrans-62.4-46.1-178.3-61.10000112.1L14 I17 R18 D100 M101 H102 L106 L107 G108 L373L14-T104 HydrophobicContact CB-CG2 3.71Å; L14-T104 HydrophobicContact CD2-CG2 3.93Å; L14-T104 HydrophobicContact CG-CG2 4.31Å; L14-T104 WeakPolarHBondContact O-CG2 3.47Å; I17-T104 HydrophobicContact CB-CG2 4.26Å; I17-T104 HydrophobicContact CG2-CG2 3.91Å; R18-T104 VanDerWaalsContact CA-OG1 3.31Å; R18-T104 WeakPolarHBondContact CA-OG1 3.11Å; R18-T104 HydrophobicContact CB-CG2 4.14Å; R18-T104 WeakPolarHBondContact CB-OG1 3.31Å; R18-T104 PolarHBondContact N-OG1 2.84Å; D100-T104 VanDerWaalsContact O-CB 3.22Å; D100-T104 WeakPolarHBondContact O-CB 3.48Å; D100-T104 PolarHBondContact O-N 3.41Å; D100-T104 PolarHBondContact O-OG1 3.49Å; M101-T104 PolarHBondContact O-N 2.97Å; H102-T104 PolarHBondContact O-N 3.43Å; T104-L106 VanDerWaalsContact C-N 3.3Å; T104-L106 PolarHBondContact O-N 3.23Å; T104-L107 PolarHBondContact O-N 2.84Å; T104-G108 PolarHBondContact O-N 3.5Å; T104-L373 HydrophobicContact CG2-CD1 4.17Å; T104-L373 HydrophobicContact CG2-CD2 3.81Å; T104-L373 HydrophobicContact CG2-CG 4.42Å
105M98.9Very high98.5Very high0 Ų012.5 Ų12.50%06%0.058CC..Hα-helixtrans-63.4-38.4178.7-69.8-178.3-54.300111.1M101 H102 G108 A109 I158 V160 I352 I372 L373 A377 Y380M101-M105 HydrophobicContact CB-CE 4.48Å; M101-M105 WeakPolarHBondContact O-CB 3.39Å; M101-M105 WeakPolarHBondContact O-CE 3.43Å; M101-M105 WeakPolarHBondContact O-CG 3.26Å; M101-M105 PolarHBondContact O-N 3.31Å; H102-M105 PolarHBondContact O-N 3.07Å; M105-G108 PolarHBondContact O-N 3.41Å; M105-A109 PolarHBondContact O-N 3.31Å; M105-I158 HydrophobicContact CE-CG2 3.99Å; M105-V160 HydrophobicContact CE-CG1 3.49Å; M105-V160 VanDerWaalsContact CE-CG1 3.49Å; M105-V160 HydrophobicContact SD-CG1 4.21Å; M105-I352 HydrophobicContact SD-CD1 4.44Å; M105-I372 HydrophobicContact SD-CD1 4.21Å; M105-L373 HydrophobicContact CG-CD2 4.02Å; M105-A377 WeakPolarHBondContact O-CA 3.19Å; M105-A377 WeakPolarHBondContact O-CB 3.48Å; M105-Y380 HydrophobicContact CB-CD2 4.11Å; M105-Y380 HydrophobicContact CB-CE2 4Å
106L98.9Very high98.4Very high0 Ų015.7 Ų15.70%07%0.073CC..Hα-helixtrans-69.9-36.4176.4-171.962000112.4L70 H102 T103 T104 G108 A109 A110 L126 L127 F128 Y380L70-L106 HydrophobicContact CB-CD1 3.62Å; L70-L106 HydrophobicContact CD1-CD1 4.28Å; H102-L106 WeakPolarHBondContact O-CB 3.42Å; H102-L106 PolarHBondContact O-N 3.33Å; T103-L106 PolarHBondContact O-N 2.98Å; T104-L106 VanDerWaalsContact C-N 3.3Å; T104-L106 PolarHBondContact O-N 3.23Å; L106-G108 VanDerWaalsContact C-N 3.35Å; L106-A109 PolarHBondContact O-N 2.88Å; L106-A110 WeakPolarHBondContact O-CB 3.45Å; L106-A110 PolarHBondContact O-N 2.92Å; L106-L126 HydrophobicContact CD1-CD2 3.93Å; L106-L127 WeakPolarHBondContact CD2-O 3.38Å; L106-F128 HydrophobicContact CB-CE1 3.76Å; L106-F128 HydrophobicContact CB-CZ 4.07Å; L106-F128 HydrophobicContact CD2-CD1 3.92Å; L106-F128 HydrophobicContact CD2-CD2 4.27Å; L106-F128 HydrophobicContact CD2-CE1 3.7Å; L106-F128 HydrophobicContact CD2-CE2 4.05Å; L106-F128 HydrophobicContact CD2-CG 4.21Å; L106-F128 HydrophobicContact CD2-CZ 3.77Å; L106-F128 HydrophobicContact CG-CD1 4.46Å; L106-F128 HydrophobicContact CG-CE1 3.75Å; L106-F128 HydrophobicContact CG-CE2 4.24Å; L106-F128 HydrophobicContact CG-CZ 3.62Å; L106-Y380 HydrophobicContact CB-CD2 4.45Å; L106-Y380 HydrophobicContact CB-CE2 4.09Å; L106-Y380 HydrophobicContact CD1-CD1 4.4Å; L106-Y380 HydrophobicContact CD1-CD2 4.31Å; L106-Y380 HydrophobicContact CD1-CE1 4.44Å; L106-Y380 HydrophobicContact CD1-CE2 4.36Å; L106-Y380 HydrophobicContact CD1-CG 4.35Å
107L98.9Very high98.4Very high0 Ų018.9 Ų18.90%09%0.088CC..Hα-helixtrans-62.3-42169.8-79173.8000111.6I17 V38 K41 L42 Y45 T103 T104 A109 A110 K111 F128I17-L107 HydrophobicContact CG2-CD1 3.88Å; V38-L107 HydrophobicContact CG1-CD2 4.34Å; V38-L107 HydrophobicContact CG2-CD1 4.43Å; K41-L107 HydrophobicContact CB-CD1 4.15Å; K41-L107 HydrophobicContact CB-CD2 3.84Å; K41-L107 HydrophobicContact CG-CD1 4.35Å; L42-L107 HydrophobicContact CD2-CD2 4.07Å; L42-L107 HydrophobicContact CG-CD2 4.07Å; Y45-L107 HydrophobicContact CE2-CB 4.34Å; Y45-L107 HydrophobicContact CE2-CD2 4.38Å; Y45-L107 WeakPolarHBondContact CE2-O 3.35Å; T103-L107 HydrophobicContact CG2-CD1 4.29Å; T103-L107 PolarHBondContact O-N 3.22Å; T104-L107 PolarHBondContact O-N 2.84Å; L107-A109 VanDerWaalsContact C-N 3.34Å; L107-A109 PolarHBondContact O-N 2.84Å; L107-A110 WeakPolarHBondContact O-CB 3.23Å; L107-A110 PolarHBondContact O-N 3.01Å; L107-K111 PolarHBondContact O-N 3Å; L107-F128 HydrophobicContact CD2-CE1 4.03Å; L107-F128 HydrophobicContact CD2-CZ 3.8Å; L107-F128 HydrophobicContact CG-CE1 3.8Å; L107-F128 HydrophobicContact CG-CZ 4.01Å
108G98.7Very high98.3Very high0 Ų028.8 Ų28.80%013%0.13CC..Hα-helixtrans-61.1-42.3173.400000112.5T104 M105 L106 K111 L112T104-G108 PolarHBondContact O-N 3.5Å; M105-G108 PolarHBondContact O-N 3.41Å; L106-G108 VanDerWaalsContact C-N 3.35Å; G108-K111 PolarHBondContact O-N 2.99Å; G108-L112 WeakPolarHBondContact O-CG 3.26Å; G108-L112 PolarHBondContact O-N 3.18Å; G108-L112 VanDerWaalsContact O-N 3.07Å
109A98.8Very high98.1Very high0 Ų035 Ų350%016%0.16CC..Hα-helixtrans-63.3-41.917400000111.4M105 L106 L107 K111 L112 L113 Y380 V381M105-A109 PolarHBondContact O-N 3.31Å; L106-A109 PolarHBondContact O-N 2.88Å; L107-A109 VanDerWaalsContact C-N 3.34Å; L107-A109 PolarHBondContact O-N 2.84Å; A109-K111 VanDerWaalsContact C-N 3.32Å; A109-K111 PolarHBondContact O-N 3.43Å; A109-L112 PolarHBondContact O-N 3.1Å; A109-L113 WeakPolarHBondContact O-CB 3.43Å; A109-L113 WeakPolarHBondContact O-CG 3.39Å; A109-L113 PolarHBondContact O-N 3.42Å; A109-Y380 HydrophobicContact CB-CD2 4.4Å; A109-Y380 HydrophobicContact CB-CG 4.3Å; A109-V381 HydrophobicContact CB-CG2 4.05Å
110A98.8Very high98Very high0 Ų035.9 Ų35.90%016%0.164CC..Hα-helixtrans-56.6-46.8174.900000111.3L42 Y45 Y47 L106 L107 L113 K114 L126L42-A110 HydrophobicContact CD2-CB 3.94Å; Y45-A110 HydrophobicContact CD2-CB 4.49Å; Y47-A110 HydrophobicContact CE2-CB 3.94Å; Y47-A110 WeakPolarHBondContact CE2-O 3.45Å; Y47-A110 WeakPolarHBondContact OH-CA 3.37Å; Y47-A110 PolarHBondContact OH-O 3.11Å; L106-A110 WeakPolarHBondContact O-CB 3.45Å; L106-A110 PolarHBondContact O-N 2.92Å; L107-A110 WeakPolarHBondContact O-CB 3.23Å; L107-A110 PolarHBondContact O-N 3.01Å; A110-L113 PolarHBondContact O-N 3Å; A110-K114 WeakPolarHBondContact O-CB 3.41Å; A110-K114 PolarHBondContact O-N 3.49Å; A110-L126 HydrophobicContact CB-CD1 3.41Å; A110-L126 VanDerWaalsContact CB-CD1 3.41Å
111K98.5Very high97.9Very high44 Ų4439.9 Ų39.919%0.19119%0.189CC..Hα-helixtrans-59.4-50.5177.4-173.8169.3-174.6154.20112.3L10 E13 Y45 L107 G108 A109 L113 K114 E115L10-K111 HydrophobicContact CD1-CD 4.01Å; E13-K111 VanDerWaalsContact CD-NZ 3.29Å; E13-K111 IonicContact OE1-NZ 3.56Å; E13-K111 PolarHBondContact OE1-NZ 3.32Å; E13-K111 IonicContact OE2-NZ 3.85Å; E13-K111 PolarHBondContact OE2-NZ 2.61Å; Y45-K111 HydrophobicContact CD1-CB 4.38Å; Y45-K111 HydrophobicContact CD1-CD 4.12Å; Y45-K111 HydrophobicContact CD1-CG 4.21Å; Y45-K111 HydrophobicContact CD2-CB 3.91Å; Y45-K111 HydrophobicContact CE1-CB 4.36Å; Y45-K111 HydrophobicContact CE1-CD 3.69Å; Y45-K111 HydrophobicContact CE1-CG 4.23Å; Y45-K111 HydrophobicContact CE2-CB 3.86Å; Y45-K111 HydrophobicContact CG-CB 4.18Å; Y45-K111 HydrophobicContact CG-CG 4.41Å; L107-K111 PolarHBondContact O-N 3Å; G108-K111 PolarHBondContact O-N 2.99Å; A109-K111 VanDerWaalsContact C-N 3.32Å; A109-K111 PolarHBondContact O-N 3.43Å; K111-L113 PolarHBondContact O-N 3.24Å; K111-K114 WeakPolarHBondContact O-CB 3.36Å; K111-K114 PolarHBondContact O-N 3.25Å; K111-E115 WeakPolarHBondContact O-CG 3.2Å; K111-E115 PolarHBondContact O-N 3.14Å
112L98.4Very high97.8Very high25 Ų2539.9 Ų39.913%0.13119%0.189CC..Hα-helixtrans-61.7-44.3179.2-69.3171.8000112.1L10 G108 A109 K114 E115 H116 A377 V381L10-L112 HydrophobicContact CD2-CD1 3.94Å; L10-L112 HydrophobicContact CD2-CD2 3.81Å; L10-L112 HydrophobicContact CD2-CG 3.87Å; G108-L112 WeakPolarHBondContact O-CG 3.26Å; G108-L112 PolarHBondContact O-N 3.18Å; G108-L112 VanDerWaalsContact O-N 3.07Å; A109-L112 PolarHBondContact O-N 3.1Å; L112-K114 VanDerWaalsContact C-N 3.28Å; L112-K114 PolarHBondContact O-N 3.49Å; L112-E115 PolarHBondContact O-N 3.13Å; L112-H116 PolarHBondContact O-CD2 3.06Å; L112-H116 PolarHBondContact O-N 2.86Å; L112-H116 VanDerWaalsContact O-N 3.15Å; L112-A377 HydrophobicContact CD1-CB 4.29Å; L112-V381 HydrophobicContact CB-CG2 3.84Å; L112-V381 HydrophobicContact CD1-CG2 4.05Å
113L98.5Very high97.8Very high2 Ų240.6 Ų40.61%0.0119%0.193CC..Hα-helixtrans-62.1-36.5177.2-72.1167.4000111.8I61 L70 A109 A110 K111 H116 E117 L120 V124 L126 V381I61-L113 HydrophobicContact CG2-CB 4.04Å; I61-L113 HydrophobicContact CG2-CD1 4.26Å; L70-L113 HydrophobicContact CD1-CD1 4.43Å; A109-L113 WeakPolarHBondContact O-CB 3.43Å; A109-L113 WeakPolarHBondContact O-CG 3.39Å; A109-L113 PolarHBondContact O-N 3.42Å; A110-L113 PolarHBondContact O-N 3Å; K111-L113 PolarHBondContact O-N 3.24Å; L113-H116 CarbonylContact O-C 3.56Å; L113-H116 PolarHBondContact O-N 3.15Å; L113-E117 VanDerWaalsContact O-CA 3.3Å; L113-E117 WeakPolarHBondContact O-CA 3.2Å; L113-E117 PolarHBondContact O-N 3.21Å; L113-L120 HydrophobicContact CD2-CD1 4.48Å; L113-L120 HydrophobicContact CD2-CD2 3.95Å; L113-V124 HydrophobicContact CD1-CB 4.07Å; L113-V124 HydrophobicContact CD1-CG1 3.77Å; L113-V124 HydrophobicContact CD1-CG2 4.24Å; L113-V124 HydrophobicContact CD2-CG2 4.08Å; L113-L126 HydrophobicContact CD1-CD2 4.23Å; L113-V381 HydrophobicContact CD2-CG1 4.24Å; L113-V381 HydrophobicContact CD2-CG2 4.41Å; L113-V381 HydrophobicContact CG-CG2 4.17Å
114K98.1Very high97.8Very high61 Ų6140.5 Ų40.527%0.26519%0.192SC..Hα-helixtrans-66.7-44175.6-171.668165.1171.40112.4Y45 G46 Y47 I61 A110 K111 L112 H116 E117Y45-K114 VanDerWaalsContact O-CG 3.28Å; Y45-K114 WeakPolarHBondContact O-CG 3.45Å; G46-K114 WeakPolarHBondContact O-CE 3.43Å; G46-K114 PolarHBondContact O-NZ 2.88Å; Y47-K114 HydrophobicContact CE2-CB 3.85Å; Y47-K114 HydrophobicContact CE2-CD 4.27Å; Y47-K114 HydrophobicContact CE2-CG 4.4Å; I61-K114 HydrophobicContact CD1-CD 3.48Å; I61-K114 VanDerWaalsContact CD1-CD 3.48Å; I61-K114 HydrophobicContact CG1-CD 4.48Å; A110-K114 WeakPolarHBondContact O-CB 3.41Å; A110-K114 PolarHBondContact O-N 3.49Å; K111-K114 WeakPolarHBondContact O-CB 3.36Å; K111-K114 PolarHBondContact O-N 3.25Å; L112-K114 VanDerWaalsContact C-N 3.28Å; L112-K114 PolarHBondContact O-N 3.49Å; K114-H116 PolarHBondContact O-N 2.99Å; K114-E117 WeakPolarHBondContact CE-OE2 3.46Å; K114-E117 IonicContact NZ-OE1 2.67Å; K114-E117 IonicContact NZ-OE2 3.63Å; K114-E117 PolarHBondContact NZ-OE2 3.15Å; K114-E117 WeakPolarHBondContact O-CB 3.31Å; K114-E117 PolarHBondContact O-N 2.81Å
115E97Very high97.8Very high121 Ų12140.9 Ų40.957%0.56519%0.194SC*.Hα-helixtrans-59.6-31.2178.3-71.8173178.300111.7K111 L112K111-E115 WeakPolarHBondContact O-CG 3.2Å; K111-E115 PolarHBondContact O-N 3.14Å; L112-E115 PolarHBondContact O-N 3.13Å
116H95.8Very high97.8Very high72 Ų7240.9 Ų40.933%0.33319%0.194SC..THydrogen-bonded Turntrans-108.920.5179.2-66.2-81.1000114.2L112 L113 K114 K118 E119L112-H116 PolarHBondContact O-CD2 3.06Å; L112-H116 PolarHBondContact O-N 2.86Å; L112-H116 VanDerWaalsContact O-N 3.15Å; L113-H116 CarbonylContact O-C 3.56Å; L113-H116 PolarHBondContact O-N 3.15Å; K114-H116 PolarHBondContact O-N 2.99Å; H116-K118 PolarHBondContact O-N 2.92Å; H116-E119 IonicContact CE1-OE1 2.91Å; H116-E119 IonicContact ND1-OE1 3.39Å; H116-E119 PolarHBondContact ND1-OE1 2.58Å; H116-E119 IonicContact ND1-OE2 3.96Å; H116-E119 WeakPolarHBondContact O-CB 3.41Å; H116-E119 PolarHBondContact O-N 3.44Å
117E97.3Very high97.8Very high66 Ų6640.9 Ų40.931%0.30819%0.194SC..G310 helixtrans-53.8-36-171.7175.3175-167.400113.4I61 L113 K114 E119 L120I61-E117 HydrophobicContact CD1-CB 4.09Å; I61-E117 HydrophobicContact CD1-CG 3.66Å; I61-E117 VanDerWaalsContact CD1-OE1 3.31Å; I61-E117 WeakPolarHBondContact CD1-OE1 3.34Å; I61-E117 WeakPolarHBondContact CD1-OE2 3.4Å; I61-E117 HydrophobicContact CG1-CB 4.2Å; I61-E117 HydrophobicContact CG1-CG 3.94Å; L113-E117 VanDerWaalsContact O-CA 3.3Å; L113-E117 WeakPolarHBondContact O-CA 3.2Å; L113-E117 PolarHBondContact O-N 3.21Å; K114-E117 WeakPolarHBondContact CE-OE2 3.46Å; K114-E117 IonicContact NZ-OE1 2.67Å; K114-E117 IonicContact NZ-OE2 3.63Å; K114-E117 PolarHBondContact NZ-OE2 3.15Å; K114-E117 WeakPolarHBondContact O-CB 3.31Å; K114-E117 PolarHBondContact O-N 2.81Å; E117-E119 PolarHBondContact O-N 2.75Å; E117-L120 WeakPolarHBondContact O-CB 3.3Å; E117-L120 PolarHBondContact O-N 2.58Å
118K95.5Very high97.8Very high212 Ų21240.9 Ų40.992%0.92219%0.194SC*.G310 helixtrans-72.1-16.4-178.5-65.1-179.9-178.2172.90114.1H116H116-K118 PolarHBondContact O-N 2.92Å
119E94.7Very high97.8Very high132 Ų13240.9 Ų40.962%0.61719%0.194SC*.G310 helixtrans-91.4-12.7-179.5-61.1172.3-143.700111.5H116 E117 T121H116-E119 IonicContact CE1-OE1 2.91Å; H116-E119 IonicContact ND1-OE1 3.39Å; H116-E119 PolarHBondContact ND1-OE1 2.58Å; H116-E119 IonicContact ND1-OE2 3.96Å; H116-E119 WeakPolarHBondContact O-CB 3.41Å; H116-E119 PolarHBondContact O-N 3.44Å; E117-E119 PolarHBondContact O-N 2.75Å; E119-T121 PolarHBondContact O-N 2.73Å
120L97.2Very high97.8Very high17 Ų1740.9 Ų40.99%0.08919%0.194CC..  trans-69.1129.7-179.8-58.5179.1000111.4I61 L113 E117 G122 L385I61-L120 HydrophobicContact CG1-CD1 4.16Å; I61-L120 HydrophobicContact CG2-CD1 4.14Å; L113-L120 HydrophobicContact CD2-CD1 4.48Å; L113-L120 HydrophobicContact CD2-CD2 3.95Å; E117-L120 WeakPolarHBondContact O-CB 3.3Å; E117-L120 PolarHBondContact O-N 2.58Å; L120-G122 VanDerWaalsContact C-N 3.32Å; L120-L385 HydrophobicContact CD2-CD2 3.61Å
121T96.1Very high97.8Very high85 Ų8540.9 Ų40.952%0.52119%0.194SC..SBendtrans-92.29.3176.754.80000113.5E119 L388E119-T121 PolarHBondContact O-N 2.73Å; T121-L388 PolarHBondContact OG1-O 2.79Å
122G97.9Very high97.7Very high0 Ų039.2 Ų39.20%019%0.187CC..SBendtrans-167.6-162.8-179.800000111.4G62 Q63 R66 L120G62-G122 CarbonylContact C-O 3.45Å; G62-G122 WeakPolarHBondContact CA-O 3.19Å; Q63-G122 PolarHBondContact N-O 3.06Å; Q63-G122 WeakPolarHBondContact O-CA 3.47Å; Q63-G122 PolarHBondContact O-N 3Å; R66-G122 WeakPolarHBondContact O-CA 3.43Å; L120-G122 VanDerWaalsContact C-N 3.32Å
123V98.5Very high97.7Very high14 Ų1439.2 Ų39.29%0.08519%0.186CC..EExtended strand (participates in β ladder)trans-107.5129.6-178.6-178.20000109.8T60 I61 R66 V67 F68 P150T60-V123 HydrophobicContact CG2-CG1 3.99Å; I61-V123 CarbonylContact O-C 3.49Å; I61-V123 VanDerWaalsContact O-CA 3.31Å; I61-V123 WeakPolarHBondContact O-CA 3.4Å; R66-V123 PolarHBondContact O-N 3.46Å; V67-V123 CarbonylContact C-O 3.24Å; V67-V123 VanDerWaalsContact CA-O 3.27Å; V67-V123 WeakPolarHBondContact CA-O 3.39Å; V67-V123 HydrophobicContact CB-CB 4.47Å; V67-V123 HydrophobicContact CG1-CB 4.28Å; V67-V123 HydrophobicContact CG1-CG1 4.29Å; V67-V123 HydrophobicContact CG2-CB 4.09Å; F68-V123 PolarHBondContact N-O 3.32Å; V123-P150 HydrophobicContact CG1-CG 4.24Å
124V98.8Very high97.5Very high0 Ų041.1 Ų41.10%020%0.196CC..EExtended strand (participates in β ladder)trans-97.8123.2164.1-172.50000108.1T60 I61 F68 L70 L113 L126 A384 L388T60-V124 CarbonylContact C-O 3.56Å; T60-V124 WeakPolarHBondContact CA-O 3.26Å; I61-V124 HydrophobicContact CG2-CB 3.79Å; I61-V124 PolarHBondContact N-O 2.65Å; I61-V124 PolarHBondContact O-N 3.44Å; F68-V124 CarbonylContact O-C 3.58Å; F68-V124 WeakPolarHBondContact O-CA 3.41Å; L70-V124 HydrophobicContact CD1-CG1 3.8Å; L70-V124 HydrophobicContact CG-CG1 3.88Å; L113-V124 HydrophobicContact CD1-CB 4.07Å; L113-V124 HydrophobicContact CD1-CG1 3.77Å; L113-V124 HydrophobicContact CD1-CG2 4.24Å; L113-V124 HydrophobicContact CD2-CG2 4.08Å; V124-L126 HydrophobicContact CG1-CD2 3.77Å; V124-A384 HydrophobicContact CG1-CB 4.23Å; V124-A384 HydrophobicContact CG2-CB 3.82Å; V124-L388 HydrophobicContact CG2-CD1 3.82Å
125K98.8Very high97.5Very high7 Ų738.6 Ų38.63%0.0319%0.185CC..EExtended strand (participates in β ladder)trans-100.5126.8172.4-176.5173.5-99.21760108.5C59 T60 V67 F68 L69 L70 I146 E148 P150 V152C59-K125 WeakPolarHBondContact O-CA 3.07Å; T60-K125 HydrophobicContact CG2-CB 4.08Å; T60-K125 HydrophobicContact CG2-CD 4.48Å; T60-K125 HydrophobicContact CG2-CG 4.02Å; V67-K125 HydrophobicContact CG1-CB 4.18Å; F68-K125 PolarHBondContact O-N 2.84Å; L69-K125 CarbonylContact C-O 3.51Å; L69-K125 VanDerWaalsContact CA-O 3.29Å; L69-K125 WeakPolarHBondContact CA-O 3.21Å; L69-K125 HydrophobicContact CD1-CB 4.3Å; L69-K125 HydrophobicContact CD1-CD 4.4Å; L69-K125 HydrophobicContact CD1-CG 4.07Å; L70-K125 PolarHBondContact N-O 2.96Å; K125-I146 HydrophobicContact CD-CD1 4.02Å; K125-I146 VanDerWaalsContact CD-O 3.22Å; K125-I146 WeakPolarHBondContact CD-O 3.49Å; K125-I146 HydrophobicContact CG-CD1 4.43Å; K125-I146 PolarHBondContact NZ-O 3.44Å; K125-E148 PolarHBondContact NZ-O 3.49Å; K125-P150 PolarHBondContact NZ-O 3.03Å; K125-V152 HydrophobicContact CD-CG2 3.83Å
126L98.9Very high97.5Very high0 Ų036.4 Ų36.40%018%0.175CC..EExtended strand (participates in β ladder)trans-100.3135.5178.2-50.5-178.1000109Y47 T58 C59 L70 L106 A110 L113 V124 F128Y47-L126 HydrophobicContact CE1-CD1 4.06Å; T58-L126 WeakPolarHBondContact CA-O 3.24Å; T58-L126 WeakPolarHBondContact CB-O 3.32Å; T58-L126 PolarHBondContact OG1-O 3.14Å; C59-L126 PolarHBondContact N-O 3.46Å; C59-L126 PolarHBondContact O-N 3.48Å; L70-L126 HydrophobicContact CB-CD2 4.06Å; L70-L126 HydrophobicContact CD1-CD2 4.13Å; L70-L126 HydrophobicContact CG-CD2 4.46Å; L106-L126 HydrophobicContact CD1-CD2 3.93Å; A110-L126 HydrophobicContact CB-CD1 3.41Å; A110-L126 VanDerWaalsContact CB-CD1 3.41Å; L113-L126 HydrophobicContact CD1-CD2 4.23Å; V124-L126 HydrophobicContact CG1-CD2 3.77Å; L126-F128 HydrophobicContact CB-CE2 4.05Å; L126-F128 HydrophobicContact CD1-CE2 4.43Å
127L98.9Very high97.6Very high0 Ų033 Ų330%016%0.159CC..EExtended strand (participates in β ladder)trans-122.5116.3170.8170.564.2000109.1C52 L69 L70 R71 G72 L106 Q129 C141 I146 I341C52-L127 HydrophobicContact CB-CD1 4.42Å; L69-L127 HydrophobicContact CD1-CB 3.77Å; L70-L127 PolarHBondContact O-N 2.89Å; R71-L127 WeakPolarHBondContact CA-O 3.17Å; R71-L127 HydrophobicContact CB-CB 4.4Å; R71-L127 HydrophobicContact CB-CD2 4.31Å; R71-L127 HydrophobicContact CG-CB 4.46Å; R71-L127 HydrophobicContact CG-CD2 3.76Å; R71-L127 HydrophobicContact CG-CG 4.14Å; G72-L127 PolarHBondContact N-O 3.34Å; L106-L127 WeakPolarHBondContact CD2-O 3.38Å; L127-Q129 HydrophobicContact CD1-CB 4.44Å; L127-Q129 HydrophobicContact CD2-CB 4.23Å; L127-Q129 HydrophobicContact CD2-CG 4.37Å; L127-Q129 HydrophobicContact CG-CB 4.1Å; L127-C141 HydrophobicContact CD1-CB 4.12Å; L127-C141 HydrophobicContact CD2-CB 4.48Å; L127-I146 HydrophobicContact CB-CD1 4.16Å; L127-I146 HydrophobicContact CB-CG1 4.32Å; L127-I146 HydrophobicContact CD1-CD1 3.97Å; L127-I146 HydrophobicContact CD1-CG1 4.14Å; L127-I146 HydrophobicContact CD2-CG1 4.16Å; L127-I146 HydrophobicContact CG-CD1 4.5Å; L127-I146 HydrophobicContact CG-CG1 4.42Å; L127-I341 HydrophobicContact CD2-CD1 3.89Å
128F98.9Very high97.6Very high0 Ų029.9 Ų29.90%015%0.145CC..EExtended strand (participates in β ladder)trans-97.8104.5165.5-63.8-90.7000107.7V38 L42 G56 V57 G72 M74 T103 L106 L107 L126V38-F128 HydrophobicContact CG1-CB 4.08Å; V38-F128 HydrophobicContact CG1-CD1 3.7Å; V38-F128 HydrophobicContact CG1-CD2 3.94Å; V38-F128 HydrophobicContact CG1-CE1 4.06Å; V38-F128 HydrophobicContact CG1-CE2 4.29Å; V38-F128 HydrophobicContact CG1-CG 3.62Å; V38-F128 HydrophobicContact CG1-CZ 4.34Å; L42-F128 HydrophobicContact CD1-CD2 4.06Å; L42-F128 HydrophobicContact CD1-CE2 3.76Å; L42-F128 HydrophobicContact CD2-CE2 3.97Å; L42-F128 HydrophobicContact CD2-CZ 4.26Å; L42-F128 HydrophobicContact CG-CE2 4.29Å; G56-F128 VanDerWaalsContact CA-O 3.28Å; G56-F128 WeakPolarHBondContact CA-O 3.39Å; V57-F128 HydrophobicContact CB-CB 4.19Å; V57-F128 PolarHBondContact N-O 3.35Å; V57-F128 PolarHBondContact O-N 3.01Å; G72-F128 CarbonylContact O-C 3.54Å; G72-F128 VanDerWaalsContact O-CA 3.26Å; G72-F128 WeakPolarHBondContact O-CA 3.36Å; M74-F128 HydrophobicContact CE-CB 4.06Å; M74-F128 WeakPolarHBondContact CE-O 3.22Å; M74-F128 HydrophobicContact CG-CB 4.11Å; M74-F128 HydrophobicContact SD-CB 3.61Å; M74-F128 HydrophobicContact SD-CD1 4.49Å; M74-F128 HydrophobicContact SD-CG 4.48Å; T103-F128 HydrophobicContact CG2-CD1 4.11Å; T103-F128 HydrophobicContact CG2-CE1 4.32Å; L106-F128 HydrophobicContact CB-CE1 3.76Å; L106-F128 HydrophobicContact CB-CZ 4.07Å; L106-F128 HydrophobicContact CD2-CD1 3.92Å; L106-F128 HydrophobicContact CD2-CD2 4.27Å; L106-F128 HydrophobicContact CD2-CE1 3.7Å; L106-F128 HydrophobicContact CD2-CE2 4.05Å; L106-F128 HydrophobicContact CD2-CG 4.21Å; L106-F128 HydrophobicContact CD2-CZ 3.77Å; L106-F128 HydrophobicContact CG-CD1 4.46Å; L106-F128 HydrophobicContact CG-CE1 3.75Å; L106-F128 HydrophobicContact CG-CE2 4.24Å; L106-F128 HydrophobicContact CG-CZ 3.62Å; L107-F128 HydrophobicContact CD2-CE1 4.03Å; L107-F128 HydrophobicContact CD2-CZ 3.8Å; L107-F128 HydrophobicContact CG-CE1 3.8Å; L107-F128 HydrophobicContact CG-CZ 4.01Å; L126-F128 HydrophobicContact CB-CE2 4.05Å; L126-F128 HydrophobicContact CD1-CE2 4.43Å
129Q98.8Very high97.7Very high0 Ų023.3 Ų23.30%012%0.116CC..EExtended strand (participates in β ladder)trans-98.7131.6-166.8-163.4-161.3-72.100111.6R71 G72 D73 M74 L127 D337R71-Q129 HydrophobicContact CG-CB 4.35Å; R71-Q129 VanDerWaalsContact NH2-CD 3.31Å; R71-Q129 VanDerWaalsContact NH2-OE1 3.16Å; G72-Q129 PolarHBondContact O-N 3.15Å; D73-Q129 CarbonylContact C-O 3.56Å; D73-Q129 VanDerWaalsContact CA-O 3.24Å; D73-Q129 WeakPolarHBondContact CA-O 3.47Å; M74-Q129 PolarHBondContact N-O 2.92Å; L127-Q129 HydrophobicContact CD1-CB 4.44Å; L127-Q129 HydrophobicContact CD2-CB 4.23Å; L127-Q129 HydrophobicContact CD2-CG 4.37Å; L127-Q129 HydrophobicContact CG-CB 4.1Å; Q129-D337 VanDerWaalsContact NE2-CG 3.31Å; Q129-D337 PolarHBondContact NE2-OD1 3.23Å; Q129-D337 PolarHBondContact NE2-OD2 3.4Å; Q129-D337 VanDerWaalsContact NE2-OD2 3.11Å; Q129-D337 PolarHBondContact OE1-OD1 2.91Å
130P98.5Very high97.9Very high0 Ų018.4 Ų18.40%09%0.094CC..SBendtrans-83174168.537.6-36.4000110.8M29 L31 M55 E132 G137M29-P130 HydrophobicContact CE-CG 3.84Å; M29-P130 HydrophobicContact SD-CB 3.96Å; M29-P130 HydrophobicContact SD-CG 3.71Å; L31-P130 HydrophobicContact CD1-CB 4.2Å; L31-P130 HydrophobicContact CD2-CB 3.77Å; L31-P130 HydrophobicContact CG-CB 4.16Å; M55-P130 HydrophobicContact CB-CB 3.78Å; M55-P130 HydrophobicContact CB-CG 3.93Å; P130-E132 VanDerWaalsContact C-N 3.32Å; P130-E132 PolarHBondContact O-N 2.84Å; P130-E132 VanDerWaalsContact O-N 3.1Å; P130-G137 WeakPolarHBondContact O-CA 3.43Å
131G98Very high98Very high0 Ų017.6 Ų17.60%09%0.09CC..  trans55.231.3159.800000118.1G28 D75 L135 Q136 G137G28-G131 WeakPolarHBondContact O-CA 3.32Å; G28-G131 PolarHBondContact O-N 3.19Å; D75-G131 VanDerWaalsContact CG-CA 3.48Å; D75-G131 PolarHBondContact OD1-N 3.1Å; D75-G131 VanDerWaalsContact OD2-CA 3.23Å; D75-G131 WeakPolarHBondContact OD2-CA 3.15Å; D75-G131 PolarHBondContact OD2-N 3.19Å; G131-L135 PolarHBondContact O-N 3.05Å; G131-Q136 PolarHBondContact O-N 3.25Å; G131-G137 PolarHBondContact O-N 2.91Å
132E98.1Very high98.1Very high9 Ų914.5 Ų14.54%0.0427%0.07CC..THydrogen-bonded Turntrans-62.8-45.8171.1-169.3-66.4139.900109.9D73 D75 H99 P130 I134 L135 E336 D337D73-E132 HydrophobicContact CB-CB 3.86Å; D73-E132 HydrophobicContact CB-CG 4.34Å; D75-E132 VanDerWaalsContact CG-N 3.35Å; D75-E132 PolarHBondContact OD1-N 3.18Å; D75-E132 PolarHBondContact OD2-N 3.21Å; H99-E132 IonicContact CE1-OE2 3.55Å; P130-E132 VanDerWaalsContact C-N 3.32Å; P130-E132 PolarHBondContact O-N 2.84Å; P130-E132 VanDerWaalsContact O-N 3.1Å; E132-I134 PolarHBondContact O-N 3.18Å; E132-L135 WeakPolarHBondContact O-CA 3.29Å; E132-L135 PolarHBondContact O-N 2.95Å; E132-E336 WeakPolarHBondContact OE1-CA 3.34Å; E132-D337 PolarHBondContact OE1-N 3.4Å
133E97.1Very high98.1Very high26 Ų2621.2 Ų21.212%0.12111%0.106CC..THydrogen-bonded Turntrans-64-23-171.2-69.1-73.1-16800112.9D75 L77 C97 H99 H362D75-E133 WeakPolarHBondContact OD2-CB 3.37Å; D75-E133 PolarHBondContact OD2-N 3.18Å; L77-E133 WeakPolarHBondContact CD1-OE1 3.29Å; L77-E133 HydrophobicContact CD2-CB 4.08Å; L77-E133 VanDerWaalsContact CD2-CD 3.44Å; L77-E133 HydrophobicContact CD2-CG 3.86Å; L77-E133 WeakPolarHBondContact CD2-OE2 3.3Å; L77-E133 HydrophobicContact CG-CG 4.03Å; L77-E133 WeakPolarHBondContact CG-OE1 3.4Å; C97-E133 WeakPolarHBondContact CB-OE1 3.48Å; H99-E133 IonicContact CE1-OE1 3.82Å; H99-E133 IonicContact NE2-OE1 2.86Å; E133-H362 IonicContact OE1-NE2 3.67Å; E133-H362 IonicContact OE2-CE1 3.46Å; E133-H362 PolarHBondContact OE2-CE1 2.76Å; E133-H362 VanDerWaalsContact OE2-CE1 3.31Å; E133-H362 IonicContact OE2-NE2 3.34Å
134I95.7Very high98.1Very high42 Ų4223.1 Ų23.122%0.21512%0.123CC..THydrogen-bonded Turntrans-1055176.967.7168.8000113M29 E132 Q136 N295M29-I134 HydrophobicContact CG-CD1 4.02Å; E132-I134 PolarHBondContact O-N 3.18Å; I134-Q136 VanDerWaalsContact C-N 3.32Å; I134-Q136 HydrophobicContact CD1-CB 4.22Å; I134-Q136 HydrophobicContact CD1-CG 4.02Å; I134-Q136 HydrophobicContact CG1-CB 4.06Å; I134-Q136 HydrophobicContact CG1-CG 3.98Å; I134-Q136 PolarHBondContact O-N 2.84Å; I134-N295 PolarHBondContact O-ND2 3.18Å
135L96.5Very high98.1Very high7 Ų724.3 Ų24.34%0.03714%0.136CC..THydrogen-bonded Turntrans58.639.1176.5-46.8174000113.3G131 E132 A183 C297 D337G131-L135 PolarHBondContact O-N 3.05Å; E132-L135 WeakPolarHBondContact O-CA 3.29Å; E132-L135 PolarHBondContact O-N 2.95Å; L135-A183 HydrophobicContact CD1-CB 3.45Å; L135-A183 VanDerWaalsContact CD1-CB 3.45Å; L135-C297 HydrophobicContact CB-CB 4.44Å; L135-C297 HydrophobicContact CD2-CB 4.41Å; L135-D337 HydrophobicContact CB-CB 4.39Å; L135-D337 HydrophobicContact CD2-CB 3.92Å
136Q96.7Very high98.1Very high76 Ų7624.2 Ų24.236%0.35514%0.135SC..  trans-118-28.7179.9-67.2-175.6-1.200112.6M29 G131 I134 K139 D140 N295M29-Q136 HydrophobicContact CG-CB 4.27Å; M29-Q136 HydrophobicContact SD-CB 4.38Å; G131-Q136 PolarHBondContact O-N 3.25Å; I134-Q136 VanDerWaalsContact C-N 3.32Å; I134-Q136 HydrophobicContact CD1-CB 4.22Å; I134-Q136 HydrophobicContact CD1-CG 4.02Å; I134-Q136 HydrophobicContact CG1-CB 4.06Å; I134-Q136 HydrophobicContact CG1-CG 3.98Å; I134-Q136 PolarHBondContact O-N 2.84Å; Q136-K139 PolarHBondContact O-N 2.9Å; Q136-D140 PolarHBondContact O-N 2.66Å; Q136-N295 PolarHBondContact NE2-ND2 2.83Å
137G98.2Very high98.1Very high0 Ų024.7 Ų24.70%014%0.138CC..Hα-helixtrans-55.8-55.8-172.200000114.9P130 G131 K139 D140 C141 D337P130-G137 WeakPolarHBondContact O-CA 3.43Å; G131-G137 PolarHBondContact O-N 2.91Å; G137-K139 VanDerWaalsContact C-N 3.28Å; G137-K139 PolarHBondContact O-N 3.34Å; G137-D140 PolarHBondContact O-N 3.47Å; G137-C141 PolarHBondContact O-N 3Å; G137-C141 PolarHBondContact O-SG 3.15Å; G137-C141 VanDerWaalsContact O-SG 3.41Å; G137-D337 PolarHBondContact N-OD2 3.2Å
138A98.4Very high98.1Very high0 Ų028.6 Ų28.60%016%0.156CC..Hα-helixtrans-60.4-40.8-176.400000111.3C141 L142 D337 E340 I341A138-C141 PolarHBondContact O-N 2.9Å; A138-L142 VanDerWaalsContact O-CB 3.28Å; A138-L142 WeakPolarHBondContact O-CB 3.45Å; A138-L142 WeakPolarHBondContact O-CD1 3.24Å; A138-L142 WeakPolarHBondContact O-CG 3.38Å; A138-L142 PolarHBondContact O-N 3.23Å; A138-D337 HydrophobicContact CB-CB 4.24Å; A138-D337 WeakPolarHBondContact CB-O 3.35Å; A138-D337 WeakPolarHBondContact CB-OD2 3.37Å; A138-D337 PolarHBondContact N-OD2 2.97Å; A138-E340 HydrophobicContact CB-CB 3.99Å; A138-I341 HydrophobicContact CB-CD1 4.45Å
139K98Very high97.9Very high74 Ų7435.8 Ų35.832%0.32219%0.194SC..Hα-helixtrans-64.2-46176.3-72.6-179.5177.9168.30112.3Q136 G137 C141 L142 D143 G296 E340Q136-K139 PolarHBondContact O-N 2.9Å; G137-K139 VanDerWaalsContact C-N 3.28Å; G137-K139 PolarHBondContact O-N 3.34Å; K139-C141 VanDerWaalsContact C-N 3.31Å; K139-C141 PolarHBondContact O-N 2.83Å; K139-L142 WeakPolarHBondContact O-CB 3.39Å; K139-L142 PolarHBondContact O-N 3.08Å; K139-D143 WeakPolarHBondContact O-CB 3.44Å; K139-D143 PolarHBondContact O-N 2.92Å; K139-G296 PolarHBondContact NZ-O 3.39Å; K139-E340 WeakPolarHBondContact CE-OE1 3.27Å; K139-E340 WeakPolarHBondContact CE-OE2 3.29Å; K139-E340 HydrophobicContact CG-CG 3.95Å; K139-E340 IonicContact NZ-OE1 2.73Å; K139-E340 PolarHBondContact NZ-OE1 2.55Å
140D98.5Very high97.8Very high29 Ų2938 Ų3816%0.15521%0.209CC..Hα-helixtrans-61.1-40.7178.7-171.177.8000111.4M29 G53 K54 Q136 G137 A144M29-D140 HydrophobicContact CE-CB 3.85Å; M29-D140 VanDerWaalsContact CE-OD2 3.25Å; M29-D140 WeakPolarHBondContact CE-OD2 3.2Å; G53-D140 WeakPolarHBondContact CA-OD2 3.44Å; K54-D140 PolarHBondContact N-OD2 2.83Å; Q136-D140 PolarHBondContact O-N 2.66Å; G137-D140 PolarHBondContact O-N 3.47Å; D140-A144 WeakPolarHBondContact O-CB 3.49Å; D140-A144 PolarHBondContact O-N 3.08Å; D140-A144 VanDerWaalsContact O-N 3.11Å
141C98.7Very high97.8Very high0 Ų043.4 Ų43.40%023%0.232CC..Hα-helixtrans-70.1-36.4174.7-66.20000113.1C52 L127 G137 A138 K139 A144 G145 I146C52-C141 VanDerWaalsContact SG-CA 3.58Å; C52-C141 VanDerWaalsContact SG-CB 3.52Å; C52-C141 PolarHBondContact SG-O 2.96Å; L127-C141 HydrophobicContact CD1-CB 4.12Å; L127-C141 HydrophobicContact CD2-CB 4.48Å; G137-C141 PolarHBondContact O-N 3Å; G137-C141 PolarHBondContact O-SG 3.15Å; G137-C141 VanDerWaalsContact O-SG 3.41Å; A138-C141 PolarHBondContact O-N 2.9Å; K139-C141 VanDerWaalsContact C-N 3.31Å; K139-C141 PolarHBondContact O-N 2.83Å; C141-A144 CarbonylContact O-C 3.52Å; C141-A144 PolarHBondContact O-N 3.46Å; C141-G145 PolarHBondContact O-N 3.19Å; C141-I146 HydrophobicContact CB-CB 4.42Å; C141-I146 HydrophobicContact CB-CG2 4.35Å; C141-I146 WeakPolarHBondContact O-CB 3.36Å; C141-I146 WeakPolarHBondContact O-CG2 3.33Å; C141-I146 PolarHBondContact O-N 3.04Å
142L98.7Very high97.8Very high21 Ų2143.5 Ų43.511%0.1123%0.233CC..Hα-helixtrans-63.9-44.7173.6-77.4165.8000112A138 K139 A144 G145 I146 L147 E340 I341 R344A138-L142 VanDerWaalsContact O-CB 3.28Å; A138-L142 WeakPolarHBondContact O-CB 3.45Å; A138-L142 WeakPolarHBondContact O-CD1 3.24Å; A138-L142 WeakPolarHBondContact O-CG 3.38Å; A138-L142 PolarHBondContact O-N 3.23Å; K139-L142 WeakPolarHBondContact O-CB 3.39Å; K139-L142 PolarHBondContact O-N 3.08Å; L142-A144 PolarHBondContact O-N 2.65Å; L142-G145 WeakPolarHBondContact O-CA 3.27Å; L142-G145 PolarHBondContact O-N 3.45Å; L142-I146 HydrophobicContact CD2-CG2 4.02Å; L142-I146 HydrophobicContact CG-CG2 4.35Å; L142-L147 HydrophobicContact CD2-CD1 3.41Å; L142-L147 VanDerWaalsContact CD2-CD1 3.41Å; L142-L147 HydrophobicContact CD2-CG 3.66Å; L142-E340 HydrophobicContact CD1-CB 3.72Å; L142-I341 HydrophobicContact CD1-CG1 4.11Å; L142-I341 HydrophobicContact CD2-CG1 4.08Å; L142-I341 HydrophobicContact CG-CG1 4.1Å; L142-R344 VanDerWaalsContact CD2-CD 3.49Å
143D98.4Very high97.9Very high141 Ų14146.3 Ų46.375%0.75425%0.248SC*.Hα-helixtrans-64.3-29.6176.3-71.6-14.7000111.6K139 G145K139-D143 WeakPolarHBondContact O-CB 3.44Å; K139-D143 PolarHBondContact O-N 2.92Å; D143-G145 PolarHBondContact O-N 3.19Å
144A98.4Very high97.9Very high53 Ų5345.1 Ų45.144%0.43824%0.243SC..THydrogen-bonded Turntrans-79.62.417100000114.5D140 C141 L142D140-A144 WeakPolarHBondContact O-CB 3.49Å; D140-A144 PolarHBondContact O-N 3.08Å; D140-A144 VanDerWaalsContact O-N 3.11Å; C141-A144 CarbonylContact O-C 3.52Å; C141-A144 PolarHBondContact O-N 3.46Å; L142-A144 PolarHBondContact O-N 2.65Å
145G98.4Very high98.1Very high26 Ų2643.1 Ų43.127%0.26823%0.233SC..THydrogen-bonded Turntrans80.131.3173.200000114.7C141 L142 D143 L147 E148C141-G145 PolarHBondContact O-N 3.19Å; L142-G145 WeakPolarHBondContact O-CA 3.27Å; L142-G145 PolarHBondContact O-N 3.45Å; D143-G145 PolarHBondContact O-N 3.19Å; G145-L147 PolarHBondContact O-N 3.3Å; G145-E148 PolarHBondContact O-N 3.45Å
146I98.7Very high98.2Very high4 Ų442.8 Ų42.82%0.02123%0.231CC..THydrogen-bonded Turntrans-52.3-32.7178.7-171.458.9000113.4T58 L69 K125 L127 C141 L142 E148T58-I146 HydrophobicContact CG2-CD1 4.15Å; T58-I146 WeakPolarHBondContact OG1-CD1 3.48Å; L69-I146 HydrophobicContact CD1-CG1 4.29Å; K125-I146 HydrophobicContact CD-CD1 4.02Å; K125-I146 VanDerWaalsContact CD-O 3.22Å; K125-I146 WeakPolarHBondContact CD-O 3.49Å; K125-I146 HydrophobicContact CG-CD1 4.43Å; K125-I146 PolarHBondContact NZ-O 3.44Å; L127-I146 HydrophobicContact CB-CD1 4.16Å; L127-I146 HydrophobicContact CB-CG1 4.32Å; L127-I146 HydrophobicContact CD1-CD1 3.97Å; L127-I146 HydrophobicContact CD1-CG1 4.14Å; L127-I146 HydrophobicContact CD2-CG1 4.16Å; L127-I146 HydrophobicContact CG-CD1 4.5Å; L127-I146 HydrophobicContact CG-CG1 4.42Å; C141-I146 HydrophobicContact CB-CB 4.42Å; C141-I146 HydrophobicContact CB-CG2 4.35Å; C141-I146 WeakPolarHBondContact O-CB 3.36Å; C141-I146 WeakPolarHBondContact O-CG2 3.33Å; C141-I146 PolarHBondContact O-N 3.04Å; L142-I146 HydrophobicContact CD2-CG2 4.02Å; L142-I146 HydrophobicContact CG-CG2 4.35Å; I146-E148 VanDerWaalsContact C-N 3.27Å; I146-E148 PolarHBondContact O-N 2.82Å
147L98.8Very high98.3Very high11 Ų1139.2 Ų39.26%0.05821%0.214CC..THydrogen-bonded Turntrans-82.8-0.9179.9-57.7-176.1000114.1L69 L142 G145 K151 V152 I341 R344 I345L69-L147 HydrophobicContact CD2-CD2 4.2Å; L142-L147 HydrophobicContact CD2-CD1 3.41Å; L142-L147 VanDerWaalsContact CD2-CD1 3.41Å; L142-L147 HydrophobicContact CD2-CG 3.66Å; G145-L147 PolarHBondContact O-N 3.3Å; L147-K151 VanDerWaalsContact O-CA 3.32Å; L147-K151 WeakPolarHBondContact O-CA 3.49Å; L147-V152 HydrophobicContact CD2-CB 4.07Å; L147-V152 HydrophobicContact CD2-CG1 4.43Å; L147-V152 HydrophobicContact CD2-CG2 4.2Å; L147-V152 PolarHBondContact O-N 2.91Å; L147-I341 HydrophobicContact CD2-CG2 4.21Å; L147-R344 HydrophobicContact CD1-CB 3.61Å; L147-R344 HydrophobicContact CD1-CG 4.46Å; L147-I345 HydrophobicContact CD1-CG2 4.15Å; L147-I345 HydrophobicContact CD2-CD1 3.79Å; L147-I345 HydrophobicContact CD2-CG1 4.23Å; L147-I345 HydrophobicContact CD2-CG2 4.44Å
148E98.2Very high98.3Very high81 Ų8139.3 Ų39.338%0.37922%0.215SC..THydrogen-bonded Turntrans-117.5162.3-177.1-51.9-56.2149.500110.9K125 G145 I146 P150 K151K125-E148 PolarHBondContact NZ-O 3.49Å; G145-E148 PolarHBondContact O-N 3.45Å; I146-E148 VanDerWaalsContact C-N 3.27Å; I146-E148 PolarHBondContact O-N 2.82Å; E148-P150 VanDerWaalsContact C-C 3.47Å; E148-P150 CarbonylContact C-O 3.57Å; E148-K151 IonicContact OE1-NZ 3.95Å; E148-K151 PolarHBondContact OE1-NZ 3.28Å; E148-K151 VanDerWaalsContact OE2-CD 3.24Å; E148-K151 WeakPolarHBondContact OE2-CD 3.35Å; E148-K151 IonicContact OE2-NZ 3.05Å
149N95.2Very high98.3Very high151 Ų15139.9 Ų39.981%0.80722%0.218SC*.THydrogen-bonded Turntrans47.270.5174-57-47.6000115.5
150P97.2Very high98.3Very high47 Ų4736.4 Ų36.431%0.30520%0.202SC..THydrogen-bonded Turncis-81.8160.5-3.634.7-37.1000112.4T60 V67 V123 K125 E148 V152T60-P150 HydrophobicContact CG2-CG 4.29Å; V67-P150 HydrophobicContact CG1-CG 4.08Å; V67-P150 HydrophobicContact CG2-CB 3.94Å; V67-P150 HydrophobicContact CG2-CG 3.92Å; V123-P150 HydrophobicContact CG1-CG 4.24Å; K125-P150 PolarHBondContact NZ-O 3.03Å; E148-P150 VanDerWaalsContact C-C 3.47Å; E148-P150 CarbonylContact C-O 3.57Å; P150-V152 PolarHBondContact O-N 2.9Å
151K98.3Very high98.3Very high113 Ų11336 Ų3649%0.49120%0.199SC..THydrogen-bonded Turntrans-62.7128.6177.7-174.473.9-169.4179.80109.7V67 L147 E148V67-K151 VanDerWaalsContact CB-O 3.23Å; V67-K151 WeakPolarHBondContact CB-O 3.42Å; V67-K151 WeakPolarHBondContact CG2-O 3.29Å; L147-K151 VanDerWaalsContact O-CA 3.32Å; L147-K151 WeakPolarHBondContact O-CA 3.49Å; E148-K151 IonicContact OE1-NZ 3.95Å; E148-K151 PolarHBondContact OE1-NZ 3.28Å; E148-K151 VanDerWaalsContact OE2-CD 3.24Å; E148-K151 WeakPolarHBondContact OE2-CD 3.35Å; E148-K151 IonicContact OE2-NZ 3.05Å
152V98.7Very high98.2Very high3 Ų336.2 Ų36.22%0.01820%0.201CC..PPolyproline II helixtrans-84.7132178.9-179.70000110.7V67 L69 K125 L147 P150 A154 I345V67-V152 HydrophobicContact CG1-CG2 4.09Å; L69-V152 HydrophobicContact CB-CG1 3.66Å; K125-V152 HydrophobicContact CD-CG2 3.83Å; L147-V152 HydrophobicContact CD2-CB 4.07Å; L147-V152 HydrophobicContact CD2-CG1 4.43Å; L147-V152 HydrophobicContact CD2-CG2 4.2Å; L147-V152 PolarHBondContact O-N 2.91Å; P150-V152 PolarHBondContact O-N 2.9Å; V152-A154 VanDerWaalsContact CG1-O 3.23Å; V152-A154 WeakPolarHBondContact CG1-O 3.23Å; V152-I345 HydrophobicContact CB-CD1 4.28Å; V152-I345 HydrophobicContact CG1-CD1 3.47Å; V152-I345 VanDerWaalsContact CG1-CD1 3.47Å; V152-I345 WeakPolarHBondContact O-CG2 3.37Å
153D98.5Very high98Very high68 Ų6836 Ų3636%0.36420%0.199SC..  trans-93.3-36.4179.6-62-65.3000113.1R66 V67 P346R66-D153 VanDerWaalsContact CA-OD2 3.27Å; R66-D153 WeakPolarHBondContact CA-OD2 3.3Å; R66-D153 HydrophobicContact CG-CB 4.32Å; V67-D153 PolarHBondContact N-OD2 2.59Å; V67-D153 PolarHBondContact O-N 3.29Å; D153-P346 WeakPolarHBondContact O-CD 3.31Å
154A98.7Very high97.8Very high1 Ų134.4 Ų34.41%0.00819%0.185CC..EExtended strand (participates in β ladder)trans-157.3169177.400000110.9V67 F68 L69 V152 V306 P346V67-A154 PolarHBondContact O-N 2.88Å; F68-A154 CarbonylContact C-O 3.54Å; F68-A154 WeakPolarHBondContact CA-O 3.45Å; F68-A154 HydrophobicContact CD2-CB 3.78Å; F68-A154 WeakPolarHBondContact CD2-O 3.4Å; F68-A154 HydrophobicContact CE2-CB 3.77Å; L69-A154 PolarHBondContact N-O 3.23Å; V152-A154 VanDerWaalsContact CG1-O 3.23Å; V152-A154 WeakPolarHBondContact CG1-O 3.23Å; A154-V306 HydrophobicContact CB-CG2 3.7Å; A154-P346 CarbonylContact C-O 3.49Å; A154-P346 WeakPolarHBondContact CA-O 3.2Å; A154-P346 HydrophobicContact CB-CB 4.32Å; A154-P346 WeakPolarHBondContact CB-O 3.4Å
155G98.8Very high97.5Very high0 Ų038 Ų380%020%0.197CC..EExtended strand (participates in β ladder)trans-157.3171.6174.700000115.6L69 P346 T347 T348L69-G155 CarbonylContact O-C 3.43Å; L69-G155 WeakPolarHBondContact O-CA 3.45Å; G155-P346 PolarHBondContact N-O 3.01Å; G155-T347 CarbonylContact O-C 3.5Å; G155-T347 WeakPolarHBondContact O-CA 3.3Å; G155-T347 WeakPolarHBondContact O-CB 3.24Å; G155-T348 PolarHBondContact O-N 3.44Å
156A98.8Very high97.4Very high0 Ų037.9 Ų37.90%019%0.19CC..EExtended strand (participates in β ladder)trans-145.5159.1174.700000112.5F68 L69 L70 R71 T348 M350F68-A156 HydrophobicContact CE1-CB 3.94Å; F68-A156 HydrophobicContact CZ-CB 3.78Å; L69-A156 PolarHBondContact O-N 3.3Å; L70-A156 WeakPolarHBondContact CA-O 3.2Å; L70-A156 HydrophobicContact CD2-CB 4.48Å; R71-A156 PolarHBondContact N-O 3.49Å; A156-T348 VanDerWaalsContact CA-O 3.26Å; A156-T348 WeakPolarHBondContact CA-O 3.34Å; A156-T348 HydrophobicContact CB-CG2 3.77Å; A156-M350 HydrophobicContact CB-CE 3.85Å
157M98.7Very high97.2Very high1 Ų141.7 Ų41.71%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-131.2157.7167.167.678.2148.200110.1R71 H159 E336 F338 T348 T349 M350R71-M157 HydrophobicContact CB-CB 4.19Å; M157-H159 HydrophobicContact SD-CB 4.34Å; M157-E336 HydrophobicContact CE-CG 3.48Å; M157-E336 VanDerWaalsContact CE-CG 3.48Å; M157-E336 VanDerWaalsContact CE-OE2 3.23Å; M157-E336 WeakPolarHBondContact CE-OE2 3.4Å; M157-F338 HydrophobicContact CB-CD1 4.21Å; M157-F338 HydrophobicContact CB-CD2 4.47Å; M157-F338 HydrophobicContact CB-CE1 4.26Å; M157-F338 HydrophobicContact CB-CG 4.33Å; M157-F338 HydrophobicContact CB-CZ 4.44Å; M157-F338 HydrophobicContact CG-CB 4.31Å; M157-F338 HydrophobicContact CG-CD1 3.54Å; M157-F338 HydrophobicContact CG-CD2 4.49Å; M157-F338 HydrophobicContact CG-CE1 3.9Å; M157-F338 HydrophobicContact CG-CG 3.88Å; M157-T348 PolarHBondContact N-O 2.89Å; M157-T349 HydrophobicContact CE-CG2 3.44Å; M157-T349 VanDerWaalsContact CE-CG2 3.44Å; M157-T349 HydrophobicContact SD-CG2 3.65Å; M157-M350 PolarHBondContact O-N 2.95Å
158I98.7Very high97.2Very high1 Ų143.8 Ų43.81%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-118.5127.9170.3-61.1174.7000108.7M105 M350 I352 V379 Y380M105-I158 HydrophobicContact CE-CG2 3.99Å; I158-M350 CarbonylContact C-O 3.56Å; I158-M350 VanDerWaalsContact CA-O 3.26Å; I158-M350 WeakPolarHBondContact CA-O 3.27Å; I158-M350 HydrophobicContact CD1-CE 4.17Å; I158-M350 HydrophobicContact CG1-CB 4.13Å; I158-M350 HydrophobicContact CG1-CE 3.65Å; I158-I352 HydrophobicContact CD1-CD1 4.18Å; I158-I352 HydrophobicContact CG2-CB 4.36Å; I158-I352 HydrophobicContact CG2-CD1 3.75Å; I158-I352 HydrophobicContact CG2-CG1 3.68Å; I158-V379 HydrophobicContact CD1-CB 3.95Å; I158-V379 HydrophobicContact CD1-CG1 3.6Å; I158-V379 HydrophobicContact CG1-CG1 4.46Å; I158-Y380 HydrophobicContact CB-CE1 4.03Å; I158-Y380 HydrophobicContact CB-CE2 4.01Å; I158-Y380 WeakPolarHBondContact CB-OH 3.42Å; I158-Y380 HydrophobicContact CD1-CD1 3.65Å; I158-Y380 HydrophobicContact CD1-CD2 3.6Å; I158-Y380 HydrophobicContact CD1-CE1 3.77Å; I158-Y380 HydrophobicContact CD1-CE2 3.71Å; I158-Y380 HydrophobicContact CD1-CG 3.55Å; I158-Y380 HydrophobicContact CG1-CD1 3.92Å; I158-Y380 HydrophobicContact CG1-CD2 4.39Å; I158-Y380 HydrophobicContact CG1-CE1 3.57Å; I158-Y380 HydrophobicContact CG1-CE2 4.07Å; I158-Y380 HydrophobicContact CG1-CG 4.31Å; I158-Y380 PolarHBondContact N-OH 3.28Å; I158-Y380 PolarHBondContact O-OH 3.41Å
159H98.2Very high97.2Very high13 Ų1343.2 Ų43.26%0.0622%0.222CC..EExtended strand (participates in β ladder)trans-107.9133.9166.6-159.6-54.6000110.2C97 H102 M157 M350 F351 I352 L361C97-H159 PolarHBondContact O-CE1 3.08Å; C97-H159 VanDerWaalsContact O-CE1 3.3Å; C97-H159 PolarHBondContact SG-CE1 3.25Å; C97-H159 PolarHBondContact SG-NE2 2.97Å; H102-H159 AromaticContact CE1-CD2 3.64Å; H102-H159 AromaticContact CE1-CE1 3.61Å; H102-H159 AromaticContact CE1-CG 3.51Å; H102-H159 AromaticContact CE1-ND1 3.52Å; H102-H159 AromaticContact CE1-NE2 3.74Å; H102-H159 WeakPolarHBondContact NE2-CA 3.36Å; H102-H159 AromaticContact NE2-CE1 3.89Å; H102-H159 AromaticContact NE2-CG 3.74Å; H102-H159 AromaticContact NE2-ND1 3.49Å; H102-H159 PolarHBondContact NE2-ND1 3.29Å; M157-H159 HydrophobicContact SD-CB 4.34Å; H159-M350 PolarHBondContact N-O 2.93Å; H159-F351 HydrophobicContact CB-CD1 3.54Å; H159-F351 HydrophobicContact CB-CE1 3.52Å; H159-F351 CarbonylContact O-C 3.11Å; H159-F351 WeakPolarHBondContact O-CA 3.29Å; H159-I352 PolarHBondContact O-N 2.97Å; H159-L361 WeakPolarHBondContact CE1-CD1 3.4Å
160V98.4Very high97.3Very high0 Ų037 Ų370%019%0.189CC..EExtended strand (participates in β ladder)trans-80.4139.9170.5-64.20000110.2M101 H102 M105 I352 A354 L368 I372M101-V160 HydrophobicContact CB-CG1 4.01Å; M101-V160 HydrophobicContact CB-CG2 4.22Å; M101-V160 HydrophobicContact SD-CG1 4.31Å; M101-V160 HydrophobicContact SD-CG2 4.13Å; H102-V160 WeakPolarHBondContact NE2-CG2 3.49Å; H102-V160 PolarHBondContact NE2-N 2.86Å; M105-V160 HydrophobicContact CE-CG1 3.49Å; M105-V160 VanDerWaalsContact CE-CG1 3.49Å; M105-V160 HydrophobicContact SD-CG1 4.21Å; V160-I352 CarbonylContact C-O 3.47Å; V160-I352 WeakPolarHBondContact CA-O 3.44Å; V160-A354 HydrophobicContact CB-CB 3.7Å; V160-A354 HydrophobicContact CG1-CB 4.18Å; V160-A354 HydrophobicContact CG2-CB 4.43Å; V160-L368 HydrophobicContact CG2-CD1 3.62Å; V160-I372 HydrophobicContact CG1-CD1 3.67Å
161F97.3Very high97.4Very high22 Ų2234.7 Ų34.710%0.09617%0.174CC..EExtended strand (participates in β ladder)trans-139.5140.1-175.7-149.6-93.5000111.7F163 M332 F351 I352 T353 A354 M360 L361F161-F163 HydrophobicContact CB-CD2 4.08Å; F161-F163 HydrophobicContact CB-CE2 3.56Å; F161-F163 HydrophobicContact CB-CZ 3.84Å; F161-F163 AromaticContact CD1-CD1 3.77Å; F161-F163 HydrophobicContact CD1-CD1 3.77Å; F161-F163 HydrophobicContact CD1-CD2 4.17Å; F161-F163 AromaticContact CD1-CE1 3.34Å; F161-F163 HydrophobicContact CD1-CE1 3.34Å; F161-F163 AromaticContact CD1-CE2 3.84Å; F161-F163 HydrophobicContact CD1-CE2 3.84Å; F161-F163 HydrophobicContact CD1-CG 4.14Å; F161-F163 AromaticContact CD1-CZ 3.38Å; F161-F163 HydrophobicContact CD1-CZ 3.38Å; F161-F163 HydrophobicContact CE1-CD1 4.25Å; F161-F163 AromaticContact CE1-CE1 3.76Å; F161-F163 HydrophobicContact CE1-CE1 3.76Å; F161-F163 HydrophobicContact CE1-CZ 4.15Å; F161-F163 HydrophobicContact CG-CE1 4.23Å; F161-F163 HydrophobicContact CG-CE2 4.04Å; F161-F163 AromaticContact CG-CZ 3.8Å; F161-F163 HydrophobicContact CG-CZ 3.8Å; F161-M332 HydrophobicContact CE2-CE 3.96Å; F161-M332 HydrophobicContact CZ-CE 4.04Å; F161-F351 HydrophobicContact CD2-CE2 4.45Å; F161-I352 PolarHBondContact N-O 3.39Å; F161-T353 WeakPolarHBondContact O-CA 3.26Å; F161-A354 PolarHBondContact O-N 3.38Å; F161-M360 HydrophobicContact CE1-CE 3.88Å; F161-M360 HydrophobicContact CZ-CE 3.56Å; F161-L361 HydrophobicContact CD2-CD1 3.7Å; F161-L361 HydrophobicContact CE2-CD1 3.82Å
162P96.5Very high97.3Very high4 Ų429.8 Ų29.83%0.02615%0.153CC..EExtended strand (participates in β ladder)trans-78.6119.9169.330.9-31.6000109.2A355 T357 L359 L361 I366P162-A355 CarbonylContact C-O 3.49Å; P162-A355 WeakPolarHBondContact CA-O 3.43Å; P162-A355 HydrophobicContact CB-CB 4.16Å; P162-T357 HydrophobicContact CB-CG2 3.73Å; P162-L359 WeakPolarHBondContact CB-O 3.31Å; P162-L359 WeakPolarHBondContact CG-O 3.38Å; P162-L361 HydrophobicContact CG-CD2 4.17Å; P162-L361 HydrophobicContact CG-CG 4.13Å; P162-I366 HydrophobicContact CB-CD1 4.16Å; P162-I366 HydrophobicContact CG-CD1 4.32Å
163F95.1Very high97.3Very high15 Ų1530.1 Ų30.17%0.06616%0.155CC..  trans-123.6112.8176.1-72.8-64.1000109.7F161 N165 L166 P327 L328 F351 T353 A355F161-F163 HydrophobicContact CB-CD2 4.08Å; F161-F163 HydrophobicContact CB-CE2 3.56Å; F161-F163 HydrophobicContact CB-CZ 3.84Å; F161-F163 AromaticContact CD1-CD1 3.77Å; F161-F163 HydrophobicContact CD1-CD1 3.77Å; F161-F163 HydrophobicContact CD1-CD2 4.17Å; F161-F163 AromaticContact CD1-CE1 3.34Å; F161-F163 HydrophobicContact CD1-CE1 3.34Å; F161-F163 AromaticContact CD1-CE2 3.84Å; F161-F163 HydrophobicContact CD1-CE2 3.84Å; F161-F163 HydrophobicContact CD1-CG 4.14Å; F161-F163 AromaticContact CD1-CZ 3.38Å; F161-F163 HydrophobicContact CD1-CZ 3.38Å; F161-F163 HydrophobicContact CE1-CD1 4.25Å; F161-F163 AromaticContact CE1-CE1 3.76Å; F161-F163 HydrophobicContact CE1-CE1 3.76Å; F161-F163 HydrophobicContact CE1-CZ 4.15Å; F161-F163 HydrophobicContact CG-CE1 4.23Å; F161-F163 HydrophobicContact CG-CE2 4.04Å; F161-F163 AromaticContact CG-CZ 3.8Å; F161-F163 HydrophobicContact CG-CZ 3.8Å; F163-N165 PolarHBondContact O-N 3.44Å; F163-L166 HydrophobicContact CB-CB 3.54Å; F163-L166 HydrophobicContact CB-CD2 3.61Å; F163-L166 HydrophobicContact CB-CG 4.19Å; F163-L166 HydrophobicContact CD2-CD2 3.66Å; F163-L166 HydrophobicContact CE2-CD2 4.48Å; F163-L166 HydrophobicContact CG-CD2 3.75Å; F163-L166 PolarHBondContact O-N 3.23Å; F163-P327 HydrophobicContact CD1-CB 4.07Å; F163-P327 HydrophobicContact CD1-CG 4.18Å; F163-P327 HydrophobicContact CD2-CG 4.43Å; F163-P327 HydrophobicContact CE1-CB 4.12Å; F163-P327 HydrophobicContact CE1-CG 3.79Å; F163-P327 HydrophobicContact CE2-CG 4.01Å; F163-P327 HydrophobicContact CG-CB 4.42Å; F163-P327 HydrophobicContact CZ-CB 4.47Å; F163-P327 HydrophobicContact CZ-CG 3.7Å; F163-L328 HydrophobicContact CE1-CB 4.28Å; F163-L328 HydrophobicContact CE1-CD2 3.83Å; F163-L328 HydrophobicContact CZ-CD2 3.84Å; F163-F351 HydrophobicContact CE2-CB 4.26Å; F163-F351 HydrophobicContact CZ-CD2 4.02Å; F163-T353 HydrophobicContact CB-CG2 4.05Å; F163-T353 HydrophobicContact CD2-CG2 4.25Å; F163-T353 WeakPolarHBondContact CD2-OG1 3.31Å; F163-A355 PolarHBondContact N-O 3.33Å
164K93.7Very high97.3Very high109 Ų10926.9 Ų26.947%0.47414%0.138SC..THydrogen-bonded Turntrans-60.5133.4175.3-166.2-158.9-177.9174.80111.1L166 E358K164-L166 PolarHBondContact O-N 3.46Å; K164-E358 HydrophobicContact CD-CG 3.79Å; K164-E358 WeakPolarHBondContact CE-OE1 3.22Å; K164-E358 HydrophobicContact CG-CG 4.14Å; K164-E358 IonicContact NZ-OE1 3.95Å; K164-E358 PolarHBondContact NZ-OE1 2.98Å
165N93.6Very high97.2Very high127 Ų12729.7 Ų29.768%0.67916%0.156SC*.THydrogen-bonded Turntrans61.418.2-178.7-46.7-58.7000114.4F163 D356F163-N165 PolarHBondContact O-N 3.44Å; N165-D356 PolarHBondContact N-OD1 2.92Å
166L95.3Very high97.1Very high24 Ų2432.2 Ų32.213%0.12618%0.177CC..  trans-110.6122.2174.9-172.163.3000108.8F163 K164 N170 L323 P327 T353F163-L166 HydrophobicContact CB-CB 3.54Å; F163-L166 HydrophobicContact CB-CD2 3.61Å; F163-L166 HydrophobicContact CB-CG 4.19Å; F163-L166 HydrophobicContact CD2-CD2 3.66Å; F163-L166 HydrophobicContact CE2-CD2 4.48Å; F163-L166 HydrophobicContact CG-CD2 3.75Å; F163-L166 PolarHBondContact O-N 3.23Å; K164-L166 PolarHBondContact O-N 3.46Å; L166-N170 HydrophobicContact CD1-CB 4.15Å; L166-N170 HydrophobicContact CD2-CB 4.13Å; L166-N170 HydrophobicContact CG-CB 4.03Å; L166-L323 HydrophobicContact CD1-CD1 4.11Å; L166-L323 HydrophobicContact CD1-CD2 4Å; L166-L323 HydrophobicContact CD2-CD1 3.71Å; L166-P327 HydrophobicContact CD2-CB 3.86Å; L166-P327 HydrophobicContact CD2-CG 4.22Å; L166-T353 HydrophobicContact CB-CG2 4.16Å; L166-T353 HydrophobicContact CD2-CG2 4.22Å; L166-T353 WeakPolarHBondContact CD2-OG1 3.33Å; L166-T353 HydrophobicContact CG-CG2 4.13Å; L166-T353 WeakPolarHBondContact O-CG2 3.5Å
167P95.5Very high97Very high84 Ų8433.8 Ų33.855%0.54519%0.193SC..  trans-58.3149.5177.9-26.534.7000112.5N170 T353P167-N170 PolarHBondContact O-ND2 2.86Å; P167-T353 WeakPolarHBondContact O-CB 3.41Å; P167-T353 WeakPolarHBondContact O-CG2 3.33Å
168L97.8Very high96.8Very high55 Ų5536 Ų3629%0.28821%0.206SC..THydrogen-bonded Turntrans-54.7155.2173.1-60.7176.1000111.5N170 A354 D369 I372L168-N170 PolarHBondContact O-N 2.86Å; L168-A354 VanDerWaalsContact CD2-C 3.48Å; L168-D369 HydrophobicContact CD1-CB 3.78Å; L168-D369 VanDerWaalsContact CD1-OD2 3.29Å; L168-D369 WeakPolarHBondContact CD1-OD2 3.22Å; L168-D369 HydrophobicContact CD2-CB 3.89Å; L168-I372 HydrophobicContact CB-CG2 4.22Å
169K97.6Very high96.7Very high70 Ų7036.1 Ų36.130%0.30421%0.207SC..THydrogen-bonded Turntrans64.518.1179-51.7-179.9-178.7-167.50114.2N321 T353 S371 I372 F375K169-N321 WeakPolarHBondContact O-CB 3.45Å; K169-N321 PolarHBondContact O-ND2 3.34Å; K169-T353 PolarHBondContact N-O 3.45Å; K169-T353 VanDerWaalsContact N-O 3.16Å; K169-S371 WeakPolarHBondContact CE-O 3.45Å; K169-S371 PolarHBondContact NZ-O 3.44Å; K169-I372 HydrophobicContact CG-CB 4.31Å; K169-I372 HydrophobicContact CG-CG2 3.78Å; K169-F375 HydrophobicContact CB-CD1 3.66Å; K169-F375 HydrophobicContact CB-CD2 4.4Å; K169-F375 HydrophobicContact CB-CE1 3.79Å; K169-F375 HydrophobicContact CB-CG 3.98Å; K169-F375 HydrophobicContact CB-CZ 4.22Å; K169-F375 HydrophobicContact CD-CB 4.02Å; K169-F375 HydrophobicContact CD-CG 4.12Å; K169-F375 HydrophobicContact CG-CB 4.19Å; K169-F375 HydrophobicContact CG-CD1 3.95Å; K169-F375 HydrophobicContact CG-CG 4.03Å; K169-F375 WeakPolarHBondContact O-CE1 3.3Å; K169-F375 WeakPolarHBondContact O-CZ 3.32Å
170N98.1Very high96.6Very high19 Ų1936 Ų3610%0.10221%0.206CC..  trans-78.2134.1162.9-81.5-63.2000110L166 P167 L168 N321 L323 I352 T353L166-N170 HydrophobicContact CD1-CB 4.15Å; L166-N170 HydrophobicContact CD2-CB 4.13Å; L166-N170 HydrophobicContact CG-CB 4.03Å; P167-N170 PolarHBondContact O-ND2 2.86Å; L168-N170 PolarHBondContact O-N 2.86Å; N170-N321 CarbonylContact C-O 3.53Å; N170-N321 VanDerWaalsContact CA-O 3.3Å; N170-N321 WeakPolarHBondContact CA-O 3.11Å; N170-N321 PolarHBondContact OD1-O 2.76Å; N170-L323 HydrophobicContact CB-CD1 4.13Å; N170-L323 HydrophobicContact CB-CD2 4.1Å; N170-L323 HydrophobicContact CB-CG 4.03Å; N170-I352 WeakPolarHBondContact O-CA 3.27Å; N170-T353 PolarHBondContact O-N 2.79Å; N170-T353 PolarHBondContact O-OG1 2.98Å
171V98.4Very high96.5Very high0 Ų036.1 Ų36.10%021%0.207CC..EExtended strand (participates in β ladder)trans-108.9123.7177.7-1720000108.8V173 L314 N321 V322 L323 M350 F351 I352 F375 V379V171-V173 HydrophobicContact CG1-CG2 4.37Å; V171-L314 HydrophobicContact CG1-CD1 4.19Å; V171-N321 PolarHBondContact N-O 3.38Å; V171-V322 WeakPolarHBondContact O-CA 3.42Å; V171-L323 PolarHBondContact O-N 2.92Å; V171-M350 HydrophobicContact CG1-CB 4.4Å; V171-F351 CarbonylContact C-O 3.52Å; V171-F351 VanDerWaalsContact CA-O 3.29Å; V171-F351 WeakPolarHBondContact CA-O 3.38Å; V171-I352 HydrophobicContact CG2-CG1 4.23Å; V171-F375 HydrophobicContact CG2-CE1 3.38Å; V171-F375 HydrophobicContact CG2-CZ 3.41Å; V171-F375 VanDerWaalsContact CG2-CZ 3.41Å; V171-V379 HydrophobicContact CG1-CG1 4.24Å; V171-V379 HydrophobicContact CG2-CG1 4.5Å; V171-V379 HydrophobicContact CG2-CG2 3.79Å
172F97.8Very high96.4Very high10 Ų1035 Ų354%0.04420%0.203CC..EExtended strand (participates in β ladder)trans-104.4119.7168.6172.2-121.2000109.1F179 L323 A326 P327 L328 V330 M350 F351F172-F179 HydrophobicContact CD1-CZ 4.43Å; F172-F179 AromaticContact CE1-CE2 3.67Å; F172-F179 HydrophobicContact CE1-CE2 3.67Å; F172-F179 AromaticContact CE1-CZ 3.75Å; F172-F179 HydrophobicContact CE1-CZ 3.75Å; F172-F179 HydrophobicContact CZ-CE2 4.24Å; F172-L323 HydrophobicContact CB-CD1 4.17Å; F172-A326 HydrophobicContact CD2-CB 4.5Å; F172-A326 HydrophobicContact CE1-CB 4.41Å; F172-A326 VanDerWaalsContact CE2-CA 3.44Å; F172-A326 HydrophobicContact CE2-CB 3.6Å; F172-A326 HydrophobicContact CZ-CB 3.53Å; F172-P327 HydrophobicContact CB-CG 4.21Å; F172-P327 HydrophobicContact CG-CG 4.27Å; F172-L328 HydrophobicContact CD1-CD2 4.05Å; F172-L328 HydrophobicContact CE1-CD2 3.92Å; F172-V330 HydrophobicContact CE1-CG1 4.49Å; F172-V330 HydrophobicContact CZ-CG1 4.28Å; F172-M350 CarbonylContact O-C 3.38Å; F172-M350 VanDerWaalsContact O-CA 3.3Å; F172-M350 WeakPolarHBondContact O-CA 3.38Å; F172-F351 HydrophobicContact CB-CB 4.4Å; F172-F351 HydrophobicContact CD1-CD2 4.2Å; F172-F351 PolarHBondContact N-O 2.74Å; F172-F351 PolarHBondContact O-N 3.02Å
173V98.2Very high96.3Very high9 Ų934.9 Ų34.96%0.05520%0.202CC..EExtended strand (participates in β ladder)trans-94.5123.5173-169.80000108.2V171 T307 V310 K311 L314 M350V171-V173 HydrophobicContact CG1-CG2 4.37Å; V173-T307 WeakPolarHBondContact CG1-OG1 3.47Å; V173-V310 HydrophobicContact CG1-CG1 4.39Å; V173-K311 HydrophobicContact CB-CB 4.21Å; V173-K311 HydrophobicContact CB-CG 4.45Å; V173-K311 HydrophobicContact CG1-CB 4.21Å; V173-K311 HydrophobicContact CG2-CB 4.2Å; V173-K311 HydrophobicContact CG2-CG 4.36Å; V173-L314 HydrophobicContact CG2-CD1 3.84Å; V173-M350 HydrophobicContact CG1-CG 4.26Å; V173-M350 HydrophobicContact CG2-CG 4.25Å
174A97.7Very high96.4Very high1 Ų134.2 Ų34.21%0.00820%0.199CC..PPolyproline II helixtrans-61.8138.3-173.600000112F179 I302 T307 T349A174-F179 HydrophobicContact CB-CB 4.42Å; A174-F179 HydrophobicContact CB-CD1 3.75Å; A174-F179 HydrophobicContact CB-CD2 3.69Å; A174-F179 HydrophobicContact CB-CE1 3.87Å; A174-F179 HydrophobicContact CB-CE2 3.8Å; A174-F179 HydrophobicContact CB-CG 3.68Å; A174-F179 HydrophobicContact CB-CZ 3.89Å; A174-I302 HydrophobicContact CB-CD1 3.87Å; A174-I302 HydrophobicContact CB-CG1 3.85Å; A174-T307 PolarHBondContact O-OG1 3.12Å; A174-T349 VanDerWaalsContact CB-O 3.23Å; A174-T349 WeakPolarHBondContact CB-O 3.37Å; A174-T349 PolarHBondContact N-O 3.42Å
175P96.8Very high96.5Very high60 Ų6033.3 Ų33.339%0.3919%0.192SC..PPolyproline II helixtrans-69.5156.7175.230.7-35.7000111.2I302 V330P175-I302 VanDerWaalsContact O-CB 3.29Å; P175-I302 WeakPolarHBondContact O-CB 3.16Å; P175-I302 WeakPolarHBondContact O-CG2 3.43Å; P175-V330 HydrophobicContact CG-CG2 4.34Å
176A97.2Very high96.7Very high53 Ų5327.4 Ų27.444%0.43816%0.161SC..SBendtrans-60.1150.117900000113.4I302 Q304 T307A176-I302 WeakPolarHBondContact CA-O 3.5Å; A176-Q304 HydrophobicContact CB-CB 3.89Å; A176-Q304 HydrophobicContact CB-CG 4.2Å; A176-T307 HydrophobicContact CB-CG2 4.26Å
177G96.3Very high96.9Very high33 Ų3328.1 Ų28.134%0.3416%0.163SC..EExtended strand (participates in β ladder)trans97.5-166.2-176.900000112.9F179 I302G177-F179 PolarHBondContact O-N 2.72Å; G177-I302 PolarHBondContact N-O 2.82Å; G177-I302 WeakPolarHBondContact O-CB 3Å; G177-I302 PolarHBondContact O-N 3.16Å
178T95.7Very high97Very high47 Ų4724.1 Ų24.129%0.28814%0.137SC..EExtended strand (participates in β ladder)trans-64.8119.1178.3-52.10000110.5L262 E301 P331T178-L262 HydrophobicContact CG2-CB 4.25Å; T178-L262 HydrophobicContact CG2-CD2 4.07Å; T178-L262 WeakPolarHBondContact CG2-O 3.47Å; T178-L262 PolarHBondContact OG1-O 3.19Å; T178-E301 VanDerWaalsContact CA-OE2 3.31Å; T178-E301 WeakPolarHBondContact CA-OE2 3.35Å; T178-E301 WeakPolarHBondContact CB-OE1 3.36Å; T178-E301 WeakPolarHBondContact CG2-OE1 3.33Å; T178-E301 PolarHBondContact N-OE2 3Å; T178-E301 VanDerWaalsContact N-OE2 3.12Å; T178-E301 VanDerWaalsContact OG1-CD 3.3Å; T178-E301 PolarHBondContact OG1-OE1 3.13Å; T178-E301 PolarHBondContact OG1-OE2 3.28Å; T178-E301 VanDerWaalsContact OG1-OE2 3.09Å; T178-P331 WeakPolarHBondContact O-CB 3.26Å
179F96.2Very high97Very high3 Ų325.2 Ų25.21%0.01314%0.14CC..EExtended strand (participates in β ladder)trans-103.8-41.7-178.2-179.9-118.4000113.2F172 A174 G177 N300 I302 V330 P331 M332 T349 F351F172-F179 HydrophobicContact CD1-CZ 4.43Å; F172-F179 AromaticContact CE1-CE2 3.67Å; F172-F179 HydrophobicContact CE1-CE2 3.67Å; F172-F179 AromaticContact CE1-CZ 3.75Å; F172-F179 HydrophobicContact CE1-CZ 3.75Å; F172-F179 HydrophobicContact CZ-CE2 4.24Å; A174-F179 HydrophobicContact CB-CB 4.42Å; A174-F179 HydrophobicContact CB-CD1 3.75Å; A174-F179 HydrophobicContact CB-CD2 3.69Å; A174-F179 HydrophobicContact CB-CE1 3.87Å; A174-F179 HydrophobicContact CB-CE2 3.8Å; A174-F179 HydrophobicContact CB-CG 3.68Å; A174-F179 HydrophobicContact CB-CZ 3.89Å; G177-F179 PolarHBondContact O-N 2.72Å; F179-N300 PolarHBondContact N-O 3Å; F179-I302 HydrophobicContact CB-CD1 4.05Å; F179-I302 HydrophobicContact CB-CG1 3.46Å; F179-I302 VanDerWaalsContact CB-CG1 3.46Å; F179-I302 HydrophobicContact CD1-CD1 4.47Å; F179-I302 HydrophobicContact CG-CD1 4.48Å; F179-I302 HydrophobicContact CG-CG1 4.16Å; F179-V330 HydrophobicContact CD2-CG1 4.16Å; F179-V330 HydrophobicContact CE2-CG1 3.66Å; F179-P331 CarbonylContact O-C 3.52Å; F179-P331 WeakPolarHBondContact O-CA 2.98Å; F179-P331 WeakPolarHBondContact O-CB 3.12Å; F179-M332 HydrophobicContact CE1-SD 4.3Å; F179-M332 HydrophobicContact CZ-SD 4.09Å; F179-M332 PolarHBondContact O-N 3.43Å; F179-T349 HydrophobicContact CD1-CG2 3.97Å; F179-T349 HydrophobicContact CE1-CG2 3.7Å; F179-F351 HydrophobicContact CE1-CE1 4.17Å; F179-F351 HydrophobicContact CE1-CE2 4.02Å; F179-F351 AromaticContact CE1-CZ 3.69Å; F179-F351 HydrophobicContact CE1-CZ 3.69Å; F179-F351 HydrophobicContact CZ-CD2 4.36Å; F179-F351 AromaticContact CZ-CE2 3.8Å; F179-F351 HydrophobicContact CZ-CE2 3.8Å; F179-F351 AromaticContact CZ-CZ 3.98Å; F179-F351 HydrophobicContact CZ-CZ 3.98Å
180M95.8Very high97.1Very high10 Ų1022 Ų225%0.04913%0.126CC..EExtended strand (participates in β ladder)trans-128.2149.8177.9-54.6-179.364.500111.3S299 N300 M332 E336 F351M180-S299 WeakPolarHBondContact O-CA 3.48Å; M180-S299 WeakPolarHBondContact O-CB 3.35Å; M180-N300 HydrophobicContact CB-CB 3.8Å; M180-N300 HydrophobicContact CG-CB 4.25Å; M180-N300 PolarHBondContact N-O 2.81Å; M180-N300 PolarHBondContact O-N 2.79Å; M180-M332 HydrophobicContact CE-SD 4.38Å; M180-M332 HydrophobicContact CG-CB 4.18Å; M180-M332 HydrophobicContact CG-SD 4.25Å; M180-M332 HydrophobicContact SD-SD 4.45Å; M180-E336 HydrophobicContact CE-CB 3.73Å; M180-E336 HydrophobicContact SD-CB 3.6Å; M180-E336 VanDerWaalsContact SD-CB 3.6Å; M180-E336 HydrophobicContact SD-CG 4.35Å; M180-F351 HydrophobicContact SD-CZ 4.27Å
181A95.1Very high97.1Very high3 Ų325.3 Ų25.33%0.02514%0.141CC..  trans-72148.3-175.900000112.3R260 S261 L262 M332 G334 S335A181-R260 HydrophobicContact CB-CB 4.25Å; A181-S261 CarbonylContact C-O 3.56Å; A181-S261 WeakPolarHBondContact CA-O 3.44Å; A181-L262 HydrophobicContact CB-CD2 4.02Å; A181-M332 PolarHBondContact N-O 2.87Å; A181-G334 PolarHBondContact N-O 2.7Å; A181-G334 VanDerWaalsContact N-O 3.08Å; A181-S335 WeakPolarHBondContact O-CA 3.32Å; A181-S335 WeakPolarHBondContact O-CB 3.16Å
182S96Very high97.1Very high0 Ų026.2 Ų26.20%015%0.15CC..EExtended strand (participates in β ladder)trans-61.8160.5164.481.10000110.2R260 S261 R267 C297S182-R260 VanDerWaalsContact O-CA 3.29Å; S182-R260 WeakPolarHBondContact O-CA 3.16Å; S182-R260 WeakPolarHBondContact O-CD 3.4Å; S182-S261 PolarHBondContact N-O 3.41Å; S182-S261 PolarHBondContact OG-N 3.06Å; S182-S261 PolarHBondContact OG-O 2.7Å; S182-R267 WeakPolarHBondContact OG-CD 3.49Å; S182-C297 WeakPolarHBondContact CA-O 3.08Å; S182-C297 WeakPolarHBondContact CB-O 3.46Å
183A95.4Very high97.1Very high0 Ų029.1 Ų29.10%017%0.169CC..EExtended strand (participates in β ladder)trans-134.6140172.500000111.5L135 M259 R260 G296 C297L135-A183 HydrophobicContact CD1-CB 3.45Å; L135-A183 VanDerWaalsContact CD1-CB 3.45Å; A183-M259 WeakPolarHBondContact CA-O 3.42Å; A183-R260 VanDerWaalsContact CB-NH1 3.31Å; A183-G296 CarbonylContact O-C 3.51Å; A183-G296 WeakPolarHBondContact O-CA 3.33Å; A183-C297 PolarHBondContact N-O 2.89Å; A183-C297 PolarHBondContact O-N 2.99Å
184D96.5Very high97.1Very high2 Ų230.3 Ų30.31%0.01118%0.183CC..EExtended strand (participates in β ladder)trans-134.7135.7164.1-55.4-97.3000109.5T258 M259 R267 K271 F293 N295D184-T258 CarbonylContact O-C 3.59Å; D184-T258 WeakPolarHBondContact O-CA 3.41Å; D184-M259 HydrophobicContact CB-CG 3.65Å; D184-M259 HydrophobicContact CB-SD 4.17Å; D184-M259 PolarHBondContact N-O 3.39Å; D184-M259 PolarHBondContact O-N 3.41Å; D184-R267 IonicContact OD1-CZ 2.72Å; D184-R267 IonicContact OD1-NE 2.94Å; D184-R267 PolarHBondContact OD1-NE 2.72Å; D184-R267 IonicContact OD1-NH2 3.92Å; D184-R267 PolarHBondContact OD1-NH2 3.32Å; D184-R267 WeakPolarHBondContact OD2-CG 2.87Å; D184-R267 IonicContact OD2-CZ 3.37Å; D184-R267 IonicContact OD2-NE 2.99Å; D184-R267 PolarHBondContact OD2-NE 3.37Å; D184-R267 IonicContact OD2-NH2 3.19Å; D184-K271 IonicContact OD1-NZ 3.58Å; D184-K271 PolarHBondContact OD1-NZ 3.05Å; D184-F293 HydrophobicContact CB-CD1 4.1Å; D184-N295 WeakPolarHBondContact CA-O 3.33Å
185W96.2Very high97Very high89 Ų8931.2 Ų31.234%0.33719%0.189SC..EExtended strand (participates in β ladder)trans-100.7138.2171.1-61.323.9000106.8G257 T258 F293 T294 N295W185-G257 WeakPolarHBondContact CA-O 3.11Å; W185-T258 HydrophobicContact CG-CG2 4.08Å; W185-F293 CarbonylContact O-C 3.1Å; W185-F293 VanDerWaalsContact O-CA 3.3Å; W185-F293 WeakPolarHBondContact O-CA 3.47Å; W185-T294 PolarHBondContact O-N 3.17Å; W185-N295 HydrophobicContact CB-CB 4.14Å; W185-N295 HydrophobicContact CD2-CB 4.13Å; W185-N295 HydrophobicContact CE3-CB 4.35Å; W185-N295 HydrophobicContact CG-CB 4.06Å; W185-N295 PolarHBondContact N-O 3.05Å
186F97.5Very high97Very high3 Ų332.7 Ų32.71%0.01319%0.191CC..EExtended strand (participates in β ladder)trans-137.7149.8-177.163.5-96.2000112I188 L233 I235 K256 G257 M274 D292 F293F186-I188 HydrophobicContact CD2-CD1 4.22Å; F186-I188 HydrophobicContact CD2-CG1 3.9Å; F186-I188 HydrophobicContact CE2-CD1 4.03Å; F186-I188 HydrophobicContact CE2-CG1 4.15Å; F186-L233 HydrophobicContact CE1-CG 4.3Å; F186-L233 HydrophobicContact CZ-CD2 4.3Å; F186-L233 HydrophobicContact CZ-CG 4.21Å; F186-I235 HydrophobicContact CE2-CG1 4.14Å; F186-I235 HydrophobicContact CZ-CG1 4.02Å; F186-K256 WeakPolarHBondContact O-CA 3.43Å; F186-G257 WeakPolarHBondContact CD1-O 3.19Å; F186-G257 PolarHBondContact N-O 2.85Å; F186-G257 PolarHBondContact O-N 2.72Å; F186-M274 HydrophobicContact CB-CE 4.36Å; F186-M274 HydrophobicContact CD1-CE 3.62Å; F186-M274 HydrophobicContact CD2-CE 3.62Å; F186-M274 HydrophobicContact CE1-CE 3.63Å; F186-M274 HydrophobicContact CE2-CE 3.67Å; F186-M274 HydrophobicContact CG-CE 3.6Å; F186-M274 HydrophobicContact CZ-CE 3.66Å; F186-D292 CarbonylContact C-O 3.57Å; F186-D292 VanDerWaalsContact CA-O 3.24Å; F186-D292 WeakPolarHBondContact CA-O 3.42Å; F186-F293 HydrophobicContact CB-CD1 3.78Å; F186-F293 HydrophobicContact CB-CE1 3.9Å
187E98.2Very high96.9Very high39 Ų3932.1 Ų32.118%0.18219%0.19CC..EExtended strand (participates in β ladder)trans-120.4130171.4-59.5-170160.900109.2K189 M255 K256 I291 D292 T294E187-K189 WeakPolarHBondContact OE2-CE 3.43Å; E187-K189 IonicContact OE2-NZ 3.29Å; E187-K189 PolarHBondContact OE2-NZ 3.38Å; E187-M255 WeakPolarHBondContact CA-O 3.4Å; E187-K256 HydrophobicContact CG-CD 4Å; E187-K256 HydrophobicContact CG-CG 4.07Å; E187-K256 VanDerWaalsContact OE1-CE 3.22Å; E187-K256 WeakPolarHBondContact OE1-CE 3.37Å; E187-K256 IonicContact OE1-NZ 3.77Å; E187-K256 PolarHBondContact OE1-NZ 2.81Å; E187-I291 VanDerWaalsContact O-CA 3.31Å; E187-I291 WeakPolarHBondContact O-CA 3.2Å; E187-D292 PolarHBondContact N-O 3.25Å; E187-D292 PolarHBondContact O-N 2.9Å; E187-T294 HydrophobicContact CG-CG2 3.78Å
188I98.5Very high96.9Very high0 Ų034.4 Ų34.40%020%0.201CC..EExtended strand (participates in β ladder)trans-110.7119.4172.5-47.6-174000107.3F186 I190 I213 L217 Y254 M255 V289 T290 I291F186-I188 HydrophobicContact CD2-CD1 4.22Å; F186-I188 HydrophobicContact CD2-CG1 3.9Å; F186-I188 HydrophobicContact CE2-CD1 4.03Å; F186-I188 HydrophobicContact CE2-CG1 4.15Å; I188-I190 HydrophobicContact CG2-CD1 3.92Å; I188-I190 HydrophobicContact CG2-CG1 4.5Å; I188-I213 HydrophobicContact CD1-CG2 4.08Å; I188-L217 HydrophobicContact CD1-CD1 3.64Å; I188-Y254 CarbonylContact O-C 3.52Å; I188-Y254 VanDerWaalsContact O-CA 3.24Å; I188-Y254 WeakPolarHBondContact O-CA 3.34Å; I188-M255 HydrophobicContact CB-CB 4.31Å; I188-M255 HydrophobicContact CB-CE 4.15Å; I188-M255 HydrophobicContact CD1-CE 4.02Å; I188-M255 HydrophobicContact CG2-CE 4.03Å; I188-M255 PolarHBondContact N-O 2.93Å; I188-M255 PolarHBondContact O-N 3.48Å; I188-V289 HydrophobicContact CG2-CG1 3.93Å; I188-T290 WeakPolarHBondContact CA-O 3.24Å; I188-I291 HydrophobicContact CB-CG1 4.25Å; I188-I291 HydrophobicContact CD1-CD1 3.92Å; I188-I291 HydrophobicContact CD1-CG1 4.44Å; I188-I291 HydrophobicContact CG1-CD1 3.93Å; I188-I291 HydrophobicContact CG1-CG1 3.91Å; I188-I291 HydrophobicContact CG2-CD1 4.27Å; I188-I291 HydrophobicContact CG2-CG1 3.95Å
189K98.6Very high96.9Very high79 Ų7936.7 Ų36.734%0.34321%0.209SC..EExtended strand (participates in β ladder)trans-110.6129.9177.5-65.4165.7-174.9136.60108.9E187 V289 T290 D292E187-K189 WeakPolarHBondContact OE2-CE 3.43Å; E187-K189 IonicContact OE2-NZ 3.29Å; E187-K189 PolarHBondContact OE2-NZ 3.38Å; K189-V289 WeakPolarHBondContact O-CA 3.35Å; K189-T290 PolarHBondContact N-O 3.35Å; K189-T290 PolarHBondContact O-N 3.24Å; K189-D292 IonicContact NZ-OD2 2.73Å; K189-D292 PolarHBondContact NZ-OD2 3.32Å
190I98.8Very high96.9Very high1 Ų140 Ų401%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-118.1116.8-179.8-56.488.2000107.8I188 P206 V209 A210 I213 S252 A253 M255 A287 V289I188-I190 HydrophobicContact CG2-CD1 3.92Å; I188-I190 HydrophobicContact CG2-CG1 4.5Å; I190-P206 HydrophobicContact CB-CB 4.24Å; I190-P206 HydrophobicContact CG2-CB 3.62Å; I190-V209 HydrophobicContact CG1-CG1 4.45Å; I190-V209 HydrophobicContact CG2-CB 3.93Å; I190-V209 HydrophobicContact CG2-CG1 3.74Å; I190-A210 HydrophobicContact CD1-CB 3.93Å; I190-A210 HydrophobicContact CG1-CB 4.37Å; I190-I213 HydrophobicContact CG1-CD1 4.12Å; I190-S252 CarbonylContact O-C 3.56Å; I190-S252 WeakPolarHBondContact O-CA 3.16Å; I190-S252 VanDerWaalsContact O-CB 3.22Å; I190-S252 WeakPolarHBondContact O-CB 3.36Å; I190-A253 HydrophobicContact CB-CB 4.43Å; I190-A253 HydrophobicContact CD1-CB 4.47Å; I190-A253 WeakPolarHBondContact CD1-O 3.36Å; I190-A253 PolarHBondContact N-O 2.92Å; I190-A253 PolarHBondContact O-N 3.33Å; I190-M255 HydrophobicContact CD1-CE 4.07Å; I190-A287 HydrophobicContact CG2-CB 4.12Å; I190-V289 HydrophobicContact CG1-CG2 4.18Å; I190-V289 HydrophobicContact CG2-CG2 4.22Å
191E98.7Very high96.9Very high90 Ų9046.4 Ų46.442%0.42126%0.261SS..EExtended strand (participates in β ladder)trans-103.4117.8174.3-61.5174.6-110.700108.9A287 K288E191-A287 WeakPolarHBondContact O-CA 3.23Å; E191-A287 WeakPolarHBondContact O-CB 3.42Å; E191-K288 HydrophobicContact CB-CB 4.24Å; E191-K288 PolarHBondContact N-O 3.18Å; E191-K288 PolarHBondContact O-N 3.46Å; E191-K288 WeakPolarHBondContact OE1-CD 3.46Å; E191-K288 WeakPolarHBondContact OE1-CE 3.4Å; E191-K288 IonicContact OE1-NZ 2.86Å; E191-K288 PolarHBondContact OE1-NZ 3.01Å; E191-K288 IonicContact OE2-NZ 3.27Å
192G98.1Very high97Very high19 Ų1950.8 Ų50.820%0.19629%0.287CS..  trans-119.2-152.6177.100000111.8I204 S251G192-I204 WeakPolarHBondContact CA-O 3.47Å; G192-S251 CarbonylContact C-O 3.53Å; G192-S251 PolarHBondContact N-O 3.44Å
193V98.2Very high97.1Very high70 Ų7051.7 Ų51.742%0.42429%0.294SS..BIsolated β-bridgetrans-133114177.6179.90000107.4S203 I204V193-S203 WeakPolarHBondContact O-CA 3.36Å; V193-S203 VanDerWaalsContact O-CB 3.27Å; V193-S203 WeakPolarHBondContact O-CB 3.39Å; V193-I204 HydrophobicContact CB-CB 4.12Å; V193-I204 HydrophobicContact CB-CG1 4.22Å; V193-I204 HydrophobicContact CG2-CB 4.21Å; V193-I204 HydrophobicContact CG2-CD1 3.98Å; V193-I204 HydrophobicContact CG2-CG1 4.05Å; V193-I204 PolarHBondContact N-O 2.94Å; V193-I204 PolarHBondContact O-N 3.22Å
194G96.8Very high97.2Very high35 Ų3554 Ų5436%0.36131%0.305SS..  trans-74.6153.3-179.400000112.7I249G194-I249 CarbonylContact C-O 3.56Å; G194-I249 WeakPolarHBondContact CA-O 3.18Å
195S97.2Very high97.3Very high20 Ų2056.4 Ų56.414%0.1432%0.318CS..EExtended strand (participates in β ladder)trans-158-179.9175.680.50000111.3M199 S203 I249S195-M199 PolarHBondContact OG-O 3.23Å; S195-S203 WeakPolarHBondContact OG-CB 3.48Å; S195-I249 PolarHBondContact N-O 2.95Å; S195-I249 VanDerWaalsContact N-O 3.14Å; S195-I249 PolarHBondContact O-N 3.21Å
196H96.6Very high97.4Very high90 Ų9052.2 Ų52.242%0.41730%0.302SS..EExtended strand (participates in β ladder)trans-67.6138.2164.7-165.4-89.9000109.5S198 M199 N247H196-S198 PolarHBondContact ND1-N 3.39Å; H196-S198 PolarHBondContact ND1-OG 2.97Å; H196-S198 PolarHBondContact O-N 3.29Å; H196-M199 PolarHBondContact O-N 2.88Å; H196-N247 PolarHBondContact NE2-ND2 2.69Å
197G94.8Very high97.4Very high41 Ų4155 Ų5542%0.42332%0.317SS..THydrogen-bonded Turntrans-60.5-12-17800000115.3N247G197-N247 PolarHBondContact N-O 3.35Å
198S95.7Very high97.4Very high81 Ų8155.9 Ų55.957%0.56632%0.323SS*.THydrogen-bonded Turntrans-92.6-2.1172.573.80000114.3H196H196-S198 PolarHBondContact ND1-N 3.39Å; H196-S198 PolarHBondContact ND1-OG 2.97Å; H196-S198 PolarHBondContact O-N 3.29Å
199M96.7Very high97.4Very high96 Ų9656 Ų5647%0.47332%0.323SS..  trans-125.859.3179.9-60.6177173.700109.8S195 H196 E201 V202S195-M199 PolarHBondContact OG-O 3.23Å; H196-M199 PolarHBondContact O-N 2.88Å; M199-E201 VanDerWaalsContact C-OE2 3.26Å; M199-E201 WeakPolarHBondContact CA-OE2 3.2Å; M199-E201 PolarHBondContact O-N 2.86Å; M199-V202 HydrophobicContact CB-CG2 3.91Å; M199-V202 WeakPolarHBondContact O-CG2 3.18Å; M199-V202 PolarHBondContact O-N 2.99Å
200P95.9Very high97.4Very high73 Ų7352.2 Ų52.247%0.47431%0.307SS..G310 helixtrans-63.8-25.517928.2-36.3000112.7V202 S203 I249P200-V202 PolarHBondContact O-N 3.33Å; P200-S203 WeakPolarHBondContact CA-OG 3.25Å; P200-S203 WeakPolarHBondContact O-CB 3.35Å; P200-S203 PolarHBondContact O-N 3.33Å; P200-S203 PolarHBondContact O-OG 2.86Å; P200-I249 HydrophobicContact CB-CD1 4.3Å
201E96.3Very high97.4Very high144 Ų14454.4 Ų54.467%0.67332%0.321SS*.G310 helixtrans-67.4-17-177.170.3-76.8179.800114.6M199M199-E201 VanDerWaalsContact C-OE2 3.26Å; M199-E201 WeakPolarHBondContact CA-OE2 3.2Å; M199-E201 PolarHBondContact O-N 2.86Å
202V97.1Very high97.4Very high94 Ų9453.7 Ų53.757%0.5732%0.316SS*.G310 helixtrans-105.213.4174.1-57.60000112.6M199 P200M199-V202 HydrophobicContact CB-CG2 3.91Å; M199-V202 WeakPolarHBondContact O-CG2 3.18Å; M199-V202 PolarHBondContact O-N 2.99Å; P200-V202 PolarHBondContact O-N 3.33Å
203S97.3Very high97.4Very high20 Ų2052.8 Ų52.814%0.1431%0.307CS..  trans-124.9165.7-172.2830000112.2V193 S195 P200 I249V193-S203 WeakPolarHBondContact O-CA 3.36Å; V193-S203 VanDerWaalsContact O-CB 3.27Å; V193-S203 WeakPolarHBondContact O-CB 3.39Å; S195-S203 WeakPolarHBondContact OG-CB 3.48Å; P200-S203 WeakPolarHBondContact CA-OG 3.25Å; P200-S203 WeakPolarHBondContact O-CB 3.35Å; P200-S203 PolarHBondContact O-N 3.33Å; P200-S203 PolarHBondContact O-OG 2.86Å; S203-I249 WeakPolarHBondContact OG-CD1 3.23Å
204I98.2Very high97.4Very high47 Ų4754.1 Ų54.124%0.24131%0.305CS..BIsolated β-bridgetrans-129.8100.7165.4-60.9-179.7000105.2G192 V193 P206 F285 G286 A287G192-I204 WeakPolarHBondContact CA-O 3.47Å; V193-I204 HydrophobicContact CB-CB 4.12Å; V193-I204 HydrophobicContact CB-CG1 4.22Å; V193-I204 HydrophobicContact CG2-CB 4.21Å; V193-I204 HydrophobicContact CG2-CD1 3.98Å; V193-I204 HydrophobicContact CG2-CG1 4.05Å; V193-I204 PolarHBondContact N-O 2.94Å; V193-I204 PolarHBondContact O-N 3.22Å; I204-P206 WeakPolarHBondContact O-CD 3.5Å; I204-F285 WeakPolarHBondContact CG2-O 3.39Å; I204-G286 WeakPolarHBondContact CD1-O 3.45Å; I204-A287 HydrophobicContact CG2-CB 3.89Å
205D98.1Very high97.5Very high54 Ų5457.5 Ų57.529%0.28931%0.311SS..  trans-72.7107.8-173.2179.43.7000111.5I207 N208 V209 I249D205-I207 VanDerWaalsContact C-N 3.28Å; D205-I207 PolarHBondContact O-N 3.38Å; D205-I207 WeakPolarHBondContact OD1-CB 3.48Å; D205-I207 PolarHBondContact OD1-N 2.93Å; D205-N208 HydrophobicContact CB-CB 4.08Å; D205-N208 PolarHBondContact O-N 3.27Å; D205-N208 PolarHBondContact OD1-N 3.21Å; D205-V209 WeakPolarHBondContact O-CG2 3.45Å; D205-V209 PolarHBondContact O-N 3.2Å; D205-I249 HydrophobicContact CB-CG2 3.89Å
206P98.3Very high97.5Very high0 Ų057.7 Ų57.70%031%0.314CS..Hα-helixtrans-73.8-19.9-178.835.1-37.6000112.3I190 I204 V209 A210 P250 S252 A253I190-P206 HydrophobicContact CB-CB 4.24Å; I190-P206 HydrophobicContact CG2-CB 3.62Å; I204-P206 WeakPolarHBondContact O-CD 3.5Å; P206-V209 PolarHBondContact O-N 3.39Å; P206-A210 VanDerWaalsContact O-CB 3.25Å; P206-A210 WeakPolarHBondContact O-CB 3.36Å; P206-A210 PolarHBondContact O-N 3.33Å; P206-P250 WeakPolarHBondContact CD-O 3.26Å; P206-P250 HydrophobicContact CG-CB 4.46Å; P206-P250 HydrophobicContact CG-CG 3.87Å; P206-P250 WeakPolarHBondContact CG-O 2.98Å; P206-S252 VanDerWaalsContact CG-C 3.44Å; P206-A253 HydrophobicContact CB-CB 3.98Å; P206-A253 HydrophobicContact CG-CB 4.35Å
207I97.9Very high97.6Very high61 Ų6153.4 Ų53.431%0.31329%0.294SS..Hα-helixtrans-68.4-47.3174.2-63.1176.8000108.9D205 V209 A210 T211 P250D205-I207 VanDerWaalsContact C-N 3.28Å; D205-I207 PolarHBondContact O-N 3.38Å; D205-I207 WeakPolarHBondContact OD1-CB 3.48Å; D205-I207 PolarHBondContact OD1-N 2.93Å; I207-V209 VanDerWaalsContact C-N 3.3Å; I207-V209 PolarHBondContact O-N 3Å; I207-A210 PolarHBondContact O-N 2.91Å; I207-T211 HydrophobicContact CG2-CG2 4.45Å; I207-T211 WeakPolarHBondContact O-CG2 3.26Å; I207-T211 PolarHBondContact O-N 2.74Å; I207-T211 PolarHBondContact O-OG1 3.5Å; I207-P250 HydrophobicContact CD1-CG 3.8Å; I207-P250 HydrophobicContact CG1-CG 3.87Å
208N98.1Very high97.6Very high59 Ų5954.8 Ų54.832%0.31629%0.29SS..Hα-helixtrans-55.6-46.2174.3177.364.6000111.4D205 T211 K212D205-N208 HydrophobicContact CB-CB 4.08Å; D205-N208 PolarHBondContact O-N 3.27Å; D205-N208 PolarHBondContact OD1-N 3.21Å; N208-T211 PolarHBondContact O-N 2.91Å; N208-T211 PolarHBondContact O-OG1 3.22Å; N208-K212 WeakPolarHBondContact O-CG 3.39Å; N208-K212 PolarHBondContact O-N 2.86Å
209V98.7Very high97.5Very high1 Ų154 Ų541%0.00628%0.281CS..Hα-helixtrans-61.5-48.2176.7176.80000111.8I190 D205 P206 I207 T211 K212 I213 I281 F285 A287 V289I190-V209 HydrophobicContact CG1-CG1 4.45Å; I190-V209 HydrophobicContact CG2-CB 3.93Å; I190-V209 HydrophobicContact CG2-CG1 3.74Å; D205-V209 WeakPolarHBondContact O-CG2 3.45Å; D205-V209 PolarHBondContact O-N 3.2Å; P206-V209 PolarHBondContact O-N 3.39Å; I207-V209 VanDerWaalsContact C-N 3.3Å; I207-V209 PolarHBondContact O-N 3Å; V209-T211 VanDerWaalsContact C-N 3.34Å; V209-T211 PolarHBondContact O-N 3.06Å; V209-K212 PolarHBondContact O-N 3.18Å; V209-I213 HydrophobicContact CG1-CD1 3.88Å; V209-I213 HydrophobicContact CG1-CG1 4.47Å; V209-I213 WeakPolarHBondContact O-CG1 3.44Å; V209-I213 PolarHBondContact O-N 2.85Å; V209-I281 HydrophobicContact CG1-CG2 4.31Å; V209-F285 HydrophobicContact CG2-CB 3.53Å; V209-F285 HydrophobicContact CG2-CD2 4.25Å; V209-F285 HydrophobicContact CG2-CG 4.05Å; V209-A287 HydrophobicContact CB-CB 4.46Å; V209-A287 HydrophobicContact CG1-CB 4.18Å; V209-A287 HydrophobicContact CG2-CB 3.89Å; V209-V289 HydrophobicContact CG1-CG2 4.09Å
210A98.6Very high97.4Very high0 Ų049.4 Ų49.40%026%0.259CS..Hα-helixtrans-60.5-40.9-179.600000112.4I190 P206 I207 K212 I213 Y214 F238 A253 M255I190-A210 HydrophobicContact CD1-CB 3.93Å; I190-A210 HydrophobicContact CG1-CB 4.37Å; P206-A210 VanDerWaalsContact O-CB 3.25Å; P206-A210 WeakPolarHBondContact O-CB 3.36Å; P206-A210 PolarHBondContact O-N 3.33Å; I207-A210 PolarHBondContact O-N 2.91Å; A210-K212 VanDerWaalsContact C-N 3.34Å; A210-K212 PolarHBondContact O-N 2.98Å; A210-I213 PolarHBondContact O-N 2.98Å; A210-Y214 WeakPolarHBondContact O-CB 3.46Å; A210-Y214 PolarHBondContact O-N 3.31Å; A210-F238 HydrophobicContact CB-CE1 3.95Å; A210-F238 HydrophobicContact CB-CE2 4.14Å; A210-F238 HydrophobicContact CB-CZ 3.41Å; A210-F238 VanDerWaalsContact CB-CZ 3.41Å; A210-A253 HydrophobicContact CB-CB 4.06Å; A210-M255 HydrophobicContact CB-CE 4.17Å
211T98.4Very high97.2Very high48 Ų4849 Ų4929%0.29426%0.258SS..Hα-helixtrans-63.9-38177.361.40000112.4I207 N208 V209 Y214 E215 F238I207-T211 HydrophobicContact CG2-CG2 4.45Å; I207-T211 WeakPolarHBondContact O-CG2 3.26Å; I207-T211 PolarHBondContact O-N 2.74Å; I207-T211 PolarHBondContact O-OG1 3.5Å; N208-T211 PolarHBondContact O-N 2.91Å; N208-T211 PolarHBondContact O-OG1 3.22Å; V209-T211 VanDerWaalsContact C-N 3.34Å; V209-T211 PolarHBondContact O-N 3.06Å; T211-Y214 PolarHBondContact O-N 3.31Å; T211-E215 WeakPolarHBondContact O-CG 3.42Å; T211-E215 PolarHBondContact O-N 2.84Å; T211-F238 HydrophobicContact CG2-CZ 4.01Å
212K98.6Very high96.8Very high75 Ų7544.5 Ų44.533%0.32625%0.246SC..Hα-helixtrans-69.8-38.2177.4-64.8-74.4157.1-97.60111.9N208 V209 A210 E215 A216 I281 F285N208-K212 WeakPolarHBondContact O-CG 3.39Å; N208-K212 PolarHBondContact O-N 2.86Å; V209-K212 PolarHBondContact O-N 3.18Å; A210-K212 VanDerWaalsContact C-N 3.34Å; A210-K212 PolarHBondContact O-N 2.98Å; K212-E215 IonicContact NZ-OE1 2.71Å; K212-E215 IonicContact NZ-OE2 2.99Å; K212-E215 PolarHBondContact NZ-OE2 3.42Å; K212-A216 VanDerWaalsContact O-CB 3.29Å; K212-A216 WeakPolarHBondContact O-CB 3.4Å; K212-A216 PolarHBondContact O-N 3.01Å; K212-I281 HydrophobicContact CB-CG2 3.83Å; K212-F285 HydrophobicContact CB-CE2 4.47Å; K212-F285 HydrophobicContact CG-CE2 4.17Å; K212-F285 HydrophobicContact CG-CZ 4.35Å
213I98.6Very high96.7Very high0 Ų049.5 Ų49.50%025%0.254CS..Hα-helixtrans-61.8-50.4172.2-66.1170.3000109.9I188 I190 V209 A210 E215 A216 L217 M255 S278 I281 V289I188-I213 HydrophobicContact CD1-CG2 4.08Å; I190-I213 HydrophobicContact CG1-CD1 4.12Å; V209-I213 HydrophobicContact CG1-CD1 3.88Å; V209-I213 HydrophobicContact CG1-CG1 4.47Å; V209-I213 WeakPolarHBondContact O-CG1 3.44Å; V209-I213 PolarHBondContact O-N 2.85Å; A210-I213 PolarHBondContact O-N 2.98Å; I213-E215 PolarHBondContact O-N 3.28Å; I213-A216 PolarHBondContact O-N 2.99Å; I213-L217 HydrophobicContact CG2-CD1 3.83Å; I213-L217 HydrophobicContact CG2-CG 4.06Å; I213-L217 VanDerWaalsContact O-CG 3.32Å; I213-L217 WeakPolarHBondContact O-CG 2.94Å; I213-L217 PolarHBondContact O-N 3.1Å; I213-M255 HydrophobicContact CB-CE 3.95Å; I213-M255 HydrophobicContact CG2-CE 3.73Å; I213-S278 WeakPolarHBondContact CG2-OG 3.3Å; I213-I281 HydrophobicContact CG1-CB 3.98Å; I213-I281 HydrophobicContact CG1-CD1 4.15Å; I213-I281 HydrophobicContact CG1-CG2 3.78Å; I213-V289 HydrophobicContact CD1-CG1 3.9Å; I213-V289 HydrophobicContact CD1-CG2 4.03Å
214Y98.4Very high96.5Very high97 Ų9751.6 Ų51.638%0.3826%0.262SS..Hα-helixtrans-52.9-53.2177.3176.6-83.3000111.2A210 T211 A216 L217 Q218 I235 F238A210-Y214 WeakPolarHBondContact O-CB 3.46Å; A210-Y214 PolarHBondContact O-N 3.31Å; T211-Y214 PolarHBondContact O-N 3.31Å; Y214-A216 VanDerWaalsContact C-N 3.35Å; Y214-A216 PolarHBondContact O-N 3.06Å; Y214-L217 PolarHBondContact O-N 2.79Å; Y214-Q218 HydrophobicContact CD1-CG 4.4Å; Y214-Q218 HydrophobicContact CE1-CG 4.07Å; Y214-Q218 VanDerWaalsContact O-CG 3.31Å; Y214-Q218 WeakPolarHBondContact O-CG 3.37Å; Y214-Q218 PolarHBondContact O-N 3.32Å; Y214-I235 HydrophobicContact CD2-CB 4.11Å; Y214-I235 HydrophobicContact CD2-CD1 3.49Å; Y214-I235 VanDerWaalsContact CD2-CD1 3.49Å; Y214-I235 HydrophobicContact CD2-CG1 4.36Å; Y214-I235 HydrophobicContact CD2-CG2 4.26Å; Y214-I235 HydrophobicContact CE2-CB 4.02Å; Y214-I235 HydrophobicContact CE2-CD1 4.12Å; Y214-I235 HydrophobicContact CE2-CG2 4.41Å; Y214-I235 HydrophobicContact CG-CD1 4.32Å; Y214-F238 HydrophobicContact CD2-CD2 4.25Å; Y214-F238 HydrophobicContact CD2-CE2 4.44Å; Y214-F238 HydrophobicContact CG-CE2 4.45Å
215E97.8Very high96.2Very high106 Ų10650 Ų5050%0.49525%0.253SS..Hα-helixtrans-57.5-45.9178.7-73.3176148.500111.9T211 K212 I213 Q218 T219T211-E215 WeakPolarHBondContact O-CG 3.42Å; T211-E215 PolarHBondContact O-N 2.84Å; K212-E215 IonicContact NZ-OE1 2.71Å; K212-E215 IonicContact NZ-OE2 2.99Å; K212-E215 PolarHBondContact NZ-OE2 3.42Å; I213-E215 PolarHBondContact O-N 3.28Å; E215-Q218 PolarHBondContact O-N 3.39Å; E215-T219 WeakPolarHBondContact O-CG2 3.43Å
216A98Very high95.8Very high24 Ų2450.7 Ų50.720%0.19826%0.262CS..Hα-helixtrans-66.7-42.5-17800000112.8K212 I213 Y214 Q218 T219 I277 I281K212-A216 VanDerWaalsContact O-CB 3.29Å; K212-A216 WeakPolarHBondContact O-CB 3.4Å; K212-A216 PolarHBondContact O-N 3.01Å; I213-A216 PolarHBondContact O-N 2.99Å; Y214-A216 VanDerWaalsContact C-N 3.35Å; Y214-A216 PolarHBondContact O-N 3.06Å; A216-Q218 VanDerWaalsContact C-N 3.3Å; A216-Q218 PolarHBondContact O-N 2.91Å; A216-T219 WeakPolarHBondContact O-CB 3.29Å; A216-T219 PolarHBondContact O-N 2.67Å; A216-T219 PolarHBondContact O-OG1 3.47Å; A216-I277 HydrophobicContact CB-CG2 3.6Å; A216-I281 HydrophobicContact CB-CD1 3.58Å
217L97.6Very high95.3Very high1 Ų156.7 Ų56.71%0.00530%0.304CS..Hα-helixtrans-64.6-34.4179.5-66.8-174.9000112.4I188 I213 Y214 T219 L220 L233 M274 I277I188-L217 HydrophobicContact CD1-CD1 3.64Å; I213-L217 HydrophobicContact CG2-CD1 3.83Å; I213-L217 HydrophobicContact CG2-CG 4.06Å; I213-L217 VanDerWaalsContact O-CG 3.32Å; I213-L217 WeakPolarHBondContact O-CG 2.94Å; I213-L217 PolarHBondContact O-N 3.1Å; Y214-L217 PolarHBondContact O-N 2.79Å; L217-T219 PolarHBondContact O-N 3.49Å; L217-L220 HydrophobicContact CD2-CD1 4.1Å; L217-L220 WeakPolarHBondContact O-CB 3.34Å; L217-L220 WeakPolarHBondContact O-CG 3.41Å; L217-L220 PolarHBondContact O-N 2.88Å; L217-L220 VanDerWaalsContact O-N 3.17Å; L217-L233 HydrophobicContact CB-CD1 4.4Å; L217-M274 HydrophobicContact CD1-CE 4.36Å; L217-M274 HydrophobicContact CD2-CB 4.22Å; L217-M274 HydrophobicContact CD2-CG 3.94Å; L217-I277 HydrophobicContact CD2-CB 4.24Å; L217-I277 HydrophobicContact CD2-CD1 4.35Å; L217-I277 HydrophobicContact CD2-CG2 4.09Å
218Q94.7Very high94.8Very high70 Ų7057.7 Ų57.733%0.32732%0.322SS..Hα-helixtrans-62-22174.5-66.3-62.3-2500112.6Y214 E215 A216 L220 S221Y214-Q218 HydrophobicContact CD1-CG 4.4Å; Y214-Q218 HydrophobicContact CE1-CG 4.07Å; Y214-Q218 VanDerWaalsContact O-CG 3.31Å; Y214-Q218 WeakPolarHBondContact O-CG 3.37Å; Y214-Q218 PolarHBondContact O-N 3.32Å; E215-Q218 PolarHBondContact O-N 3.39Å; A216-Q218 VanDerWaalsContact C-N 3.3Å; A216-Q218 PolarHBondContact O-N 2.91Å; Q218-L220 VanDerWaalsContact C-N 3.34Å; Q218-S221 PolarHBondContact O-OG 2.76Å
219T95.1Very high94.4Very high63 Ų6357.1 Ų57.139%0.38732%0.317SS..THydrogen-bonded Turntrans-77.7-15.9178.574.10000114.1E215 A216 L217 S221 A222 R223E215-T219 WeakPolarHBondContact O-CG2 3.43Å; A216-T219 WeakPolarHBondContact O-CB 3.29Å; A216-T219 PolarHBondContact O-N 2.67Å; A216-T219 PolarHBondContact O-OG1 3.47Å; L217-T219 PolarHBondContact O-N 3.49Å; T219-S221 VanDerWaalsContact C-N 3.31Å; T219-S221 PolarHBondContact O-N 2.95Å; T219-A222 PolarHBondContact O-N 2.85Å; T219-R223 WeakPolarHBondContact O-CB 3.25Å; T219-R223 PolarHBondContact O-N 3Å
220L94.2Very high93.8Very high0 Ų062.9 Ų62.90%034%0.339CS..Hα-helixtrans-56.1-45.2-177.6-74.1173.1000112L217 Q218 A222 R223 E224 I225 F231 L233 I270 R273 M274 I277L217-L220 HydrophobicContact CD2-CD1 4.1Å; L217-L220 WeakPolarHBondContact O-CB 3.34Å; L217-L220 WeakPolarHBondContact O-CG 3.41Å; L217-L220 PolarHBondContact O-N 2.88Å; L217-L220 VanDerWaalsContact O-N 3.17Å; Q218-L220 VanDerWaalsContact C-N 3.34Å; L220-A222 PolarHBondContact O-N 2.77Å; L220-R223 PolarHBondContact O-N 3.04Å; L220-E224 HydrophobicContact CD2-CB 4.2Å; L220-E224 HydrophobicContact CD2-CG 4.18Å; L220-E224 PolarHBondContact O-N 3.35Å; L220-I225 PolarHBondContact O-N 2.86Å; L220-F231 HydrophobicContact CB-CE1 4.06Å; L220-L233 HydrophobicContact CD1-CD1 4.48Å; L220-I270 HydrophobicContact CD1-CG2 4.39Å; L220-R273 HydrophobicContact CD2-CB 3.86Å; L220-M274 HydrophobicContact CD1-CG 4.11Å; L220-I277 HydrophobicContact CD2-CD1 3.73Å; L220-I277 HydrophobicContact CG-CD1 4.23Å
221S90.2Very high93.4Very high64 Ų6464.2 Ų64.245%0.44835%0.345SS..Hα-helixtrans-63.4-26.6178.661.60000113.2Q218 T219Q218-S221 PolarHBondContact O-OG 2.76Å; T219-S221 VanDerWaalsContact C-N 3.31Å; T219-S221 PolarHBondContact O-N 2.95Å
222A89.2Confident93.1Very high51 Ų5165.5 Ų65.542%0.42135%0.352SS..Hα-helixtrans-93.6-36.2-178.800000112.6T219 L220T219-A222 PolarHBondContact O-N 2.85Å; L220-A222 PolarHBondContact O-N 2.77Å
223R93.7Very high92.9Very high198 Ų19862.6 Ų62.675%0.74734%0.341SS*.Hα-helixtrans-114-22.7-163.8-61.4-59.1100.3-1391.8115.1T219 L220T219-R223 WeakPolarHBondContact O-CB 3.25Å; T219-R223 PolarHBondContact O-N 3Å; L220-R223 PolarHBondContact O-N 3.04Å
224E93.6Very high92.8Very high65 Ų6566 Ų6630%0.30436%0.362SS..THydrogen-bonded Turntrans-122.3-29.9-174.1-64.3-161.3-152.100113.7L220 Q269 R273L220-E224 HydrophobicContact CD2-CB 4.2Å; L220-E224 HydrophobicContact CD2-CG 4.18Å; L220-E224 PolarHBondContact O-N 3.35Å; E224-Q269 PolarHBondContact O-NE2 2.74Å; E224-R273 IonicContact OE1-CZ 3.31Å; E224-R273 IonicContact OE1-NE 3.66Å; E224-R273 PolarHBondContact OE1-NE 3.24Å; E224-R273 IonicContact OE1-NH2 3.66Å; E224-R273 PolarHBondContact OE1-NH2 3.5Å; E224-R273 WeakPolarHBondContact OE2-CD 3.47Å; E224-R273 VanDerWaalsContact OE2-CG 3.3Å; E224-R273 WeakPolarHBondContact OE2-CG 3.32Å; E224-R273 IonicContact OE2-CZ 3.25Å; E224-R273 IonicContact OE2-NE 3.6Å; E224-R273 PolarHBondContact OE2-NE 3.41Å; E224-R273 IonicContact OE2-NH2 2.8Å
225I92.1Very high92.7Very high12 Ų1262.5 Ų62.56%0.06235%0.349CS..SBendtrans-96.7133.1177.4-52-50.6000109.2L220 E229 F231 V266 Q269 I270L220-I225 PolarHBondContact O-N 2.86Å; I225-E229 HydrophobicContact CG2-CB 3.85Å; I225-E229 HydrophobicContact CG2-CG 4.4Å; I225-F231 HydrophobicContact CB-CD1 4.49Å; I225-F231 HydrophobicContact CG1-CD1 4.06Å; I225-F231 HydrophobicContact CG1-CE1 4.42Å; I225-F231 HydrophobicContact CG2-CB 4.23Å; I225-V266 HydrophobicContact CD1-CG1 4.27Å; I225-V266 HydrophobicContact CG2-CG1 3.93Å; I225-Q269 HydrophobicContact CD1-CG 4.33Å; I225-I270 HydrophobicContact CD1-CD1 4.39Å; I225-I270 HydrophobicContact CD1-CG1 3.77Å; I225-I270 HydrophobicContact CG1-CD1 4.47Å; I225-I270 HydrophobicContact CG1-CG1 4.09Å
226S90.5Very high92.6Very high69 Ų6960.9 Ų60.948%0.48336%0.361SS..  trans-60.2139.7177.5168.60000110.5A228 E229S226-A228 PolarHBondContact O-N 3.46Å; S226-A228 VanDerWaalsContact O-N 3.08Å; S226-A228 PolarHBondContact OG-N 3.35Å; S226-E229 WeakPolarHBondContact O-CB 3.33Å; S226-E229 PolarHBondContact O-N 2.6Å
227S86.8Confident92.6Very high126 Ų12663.1 Ų63.188%0.88137%0.367SS*.THydrogen-bonded Turntrans-64.6-1217660.60000113.7E229S227-E229 VanDerWaalsContact C-N 3.34Å
228A88.7Confident92.6Very high82 Ų8266.9 Ų66.968%0.67838%0.384SS*.THydrogen-bonded Turntrans-79.3-18.317200000112.7S226S226-A228 PolarHBondContact O-N 3.46Å; S226-A228 VanDerWaalsContact O-N 3.08Å; S226-A228 PolarHBondContact OG-N 3.35Å
229E89.4Confident92.7Very high47 Ų4766.2 Ų66.222%0.2239%0.385CS..SBendtrans-90137.8179.1-54.8-60.1158.800110I225 S226 S227 K263 V266I225-E229 HydrophobicContact CG2-CB 3.85Å; I225-E229 HydrophobicContact CG2-CG 4.4Å; S226-E229 WeakPolarHBondContact O-CB 3.33Å; S226-E229 PolarHBondContact O-N 2.6Å; S227-E229 VanDerWaalsContact C-N 3.34Å; E229-K263 VanDerWaalsContact CD-NZ 3.31Å; E229-K263 IonicContact OE1-NZ 2.82Å; E229-K263 PolarHBondContact OE1-NZ 3.36Å; E229-K263 WeakPolarHBondContact OE2-CD 3.45Å; E229-K263 WeakPolarHBondContact OE2-CE 3.44Å; E229-K263 IonicContact OE2-NZ 2.89Å; E229-K263 PolarHBondContact OE2-NZ 3.33Å; E229-K263 VanDerWaalsContact OE2-NZ 3.12Å; E229-V266 HydrophobicContact CB-CG2 4.37Å; E229-V266 HydrophobicContact CG-CG2 3.92Å
230R85.8Confident92.7Very high123 Ų12364.7 Ų64.746%0.46438%0.381SS..  trans-87.4118.4170.4-59.3-166.7-175.2167.8-0.8109.3L262 P331R230-L262 HydrophobicContact CB-CD1 3.67Å; R230-L262 HydrophobicContact CB-CG 4.1Å; R230-L262 HydrophobicContact CG-CD1 3.84Å; R230-P331 PolarHBondContact NH1-O 3.02Å; R230-P331 VanDerWaalsContact NH1-O 3.1Å
231F89.8Confident92.7Very high27 Ų2766.3 Ų66.312%0.11840%0.398CS..EExtended strand (participates in β ladder)trans-139.6133.7176.9161.6-124.4000109.3L220 I225 L233 M259 R260 I270L220-F231 HydrophobicContact CB-CE1 4.06Å; I225-F231 HydrophobicContact CB-CD1 4.49Å; I225-F231 HydrophobicContact CG1-CD1 4.06Å; I225-F231 HydrophobicContact CG1-CE1 4.42Å; I225-F231 HydrophobicContact CG2-CB 4.23Å; F231-L233 HydrophobicContact CE1-CB 4.21Å; F231-L233 HydrophobicContact CE2-CB 3.7Å; F231-L233 HydrophobicContact CZ-CB 3.38Å; F231-L233 HydrophobicContact CZ-CD1 3.9Å; F231-L233 HydrophobicContact CZ-CG 4.29Å; F231-M259 HydrophobicContact CE2-CB 4.09Å; F231-R260 WeakPolarHBondContact CA-O 3.14Å; F231-R260 WeakPolarHBondContact CD2-O 3.44Å; F231-I270 HydrophobicContact CB-CD1 4.3Å; F231-I270 HydrophobicContact CD1-CD1 4.17Å; F231-I270 HydrophobicContact CD2-CD1 3.19Å; F231-I270 HydrophobicContact CD2-CG1 4.21Å; F231-I270 HydrophobicContact CE1-CD1 4.28Å; F231-I270 HydrophobicContact CE1-CG1 4.37Å; F231-I270 HydrophobicContact CE2-CB 4.4Å; F231-I270 HydrophobicContact CE2-CD1 3.34Å; F231-I270 HydrophobicContact CE2-CG1 3.95Å; F231-I270 HydrophobicContact CE2-CG2 3.71Å; F231-I270 HydrophobicContact CG-CD1 3.63Å; F231-I270 HydrophobicContact CZ-CD1 3.87Å; F231-I270 HydrophobicContact CZ-CG1 4Å; F231-I270 HydrophobicContact CZ-CG2 3.67Å
232V91.9Very high92.8Very high75 Ų7568.1 Ų68.146%0.45541%0.406SS..EExtended strand (participates in β ladder)trans-126.9132.5171.9-177.50000107.9M259 R260V232-M259 CarbonylContact O-C 3.53Å; V232-M259 WeakPolarHBondContact O-CA 3.24Å; V232-R260 HydrophobicContact CB-CB 4.44Å; V232-R260 PolarHBondContact N-O 3.25Å; V232-R260 VanDerWaalsContact N-O 3.1Å; V232-R260 PolarHBondContact O-N 2.91Å
233L95Very high93Very high15 Ų1571.9 Ų71.98%0.07943%0.426CS..EExtended strand (participates in β ladder)trans-128.1124.4168.6178.2161.3000108F186 L217 L220 F231 I235 T258 M274F186-L233 HydrophobicContact CE1-CG 4.3Å; F186-L233 HydrophobicContact CZ-CD2 4.3Å; F186-L233 HydrophobicContact CZ-CG 4.21Å; L217-L233 HydrophobicContact CB-CD1 4.4Å; L220-L233 HydrophobicContact CD1-CD1 4.48Å; F231-L233 HydrophobicContact CE1-CB 4.21Å; F231-L233 HydrophobicContact CE2-CB 3.7Å; F231-L233 HydrophobicContact CZ-CB 3.38Å; F231-L233 HydrophobicContact CZ-CD1 3.9Å; F231-L233 HydrophobicContact CZ-CG 4.29Å; L233-I235 HydrophobicContact CD2-CD1 4.48Å; L233-I235 HydrophobicContact CD2-CG1 4.23Å; L233-T258 WeakPolarHBondContact CA-O 3.34Å; L233-M274 HydrophobicContact CD1-CE 4.2Å; L233-M274 HydrophobicContact CD1-CG 4.3Å; L233-M274 HydrophobicContact CD1-SD 3.87Å
234T95.6Very high92.9Very high72 Ų7266.3 Ų66.344%0.44243%0.431SS..EExtended strand (participates in β ladder)trans-129.2123.2-177.8-58.30000108.9G257 T258T234-G257 CarbonylContact O-C 3.14Å; T234-G257 WeakPolarHBondContact O-CA 3.39Å; T234-T258 PolarHBondContact N-O 3.02Å; T234-T258 PolarHBondContact O-N 3.11Å
235I97.4Very high92.9Very high22 Ų2265.4 Ų65.411%0.11343%0.431CS..EExtended strand (participates in β ladder)trans-93.4108.4167.1-68.1166.7000106.4F186 Y214 L233 E237 M255 K256F186-I235 HydrophobicContact CE2-CG1 4.14Å; F186-I235 HydrophobicContact CZ-CG1 4.02Å; Y214-I235 HydrophobicContact CD2-CB 4.11Å; Y214-I235 HydrophobicContact CD2-CD1 3.49Å; Y214-I235 VanDerWaalsContact CD2-CD1 3.49Å; Y214-I235 HydrophobicContact CD2-CG1 4.36Å; Y214-I235 HydrophobicContact CD2-CG2 4.26Å; Y214-I235 HydrophobicContact CE2-CB 4.02Å; Y214-I235 HydrophobicContact CE2-CD1 4.12Å; Y214-I235 HydrophobicContact CE2-CG2 4.41Å; Y214-I235 HydrophobicContact CG-CD1 4.32Å; L233-I235 HydrophobicContact CD2-CD1 4.48Å; L233-I235 HydrophobicContact CD2-CG1 4.23Å; I235-E237 VanDerWaalsContact CG2-O 3.31Å; I235-E237 WeakPolarHBondContact CG2-O 3.49Å; I235-M255 HydrophobicContact CD1-SD 4.01Å; I235-M255 HydrophobicContact CG2-CB 4.01Å; I235-M255 HydrophobicContact CG2-CG 4.31Å; I235-M255 HydrophobicContact CG2-SD 4.39Å; I235-K256 CarbonylContact C-O 3.49Å; I235-K256 WeakPolarHBondContact CA-O 3.44Å
236G94.7Very high93Very high73 Ų7370.9 Ų70.975%0.75347%0.471SS*.EExtended strand (participates in β ladder)trans-93.2-16.8-177.600000113.3K256G236-K256 PolarHBondContact N-O 3.28Å
237E97.6Very high93.3Very high70 Ų7071.7 Ų71.733%0.32747%0.47SS..EExtended strand (participates in β ladder)trans-133.9131179.7-169.7175.4-17700109.6I235 V239 Y254 M255 K256I235-E237 VanDerWaalsContact CG2-O 3.31Å; I235-E237 WeakPolarHBondContact CG2-O 3.49Å; E237-V239 HydrophobicContact CG-CG2 4.14Å; E237-Y254 VanDerWaalsContact CD-CE2 3.43Å; E237-Y254 HydrophobicContact CG-CE2 3.89Å; E237-Y254 WeakPolarHBondContact OE1-CE2 3.49Å; E237-Y254 VanDerWaalsContact OE1-CZ 3.24Å; E237-Y254 PolarHBondContact OE1-OH 2.92Å; E237-M255 CarbonylContact O-C 3.51Å; E237-M255 WeakPolarHBondContact O-CA 3.48Å; E237-K256 HydrophobicContact CB-CB 3.99Å; E237-K256 HydrophobicContact CB-CG 4.41Å; E237-K256 PolarHBondContact N-O 3.06Å; E237-K256 VanDerWaalsContact N-O 3.1Å; E237-K256 PolarHBondContact O-N 2.78Å; E237-K256 VanDerWaalsContact OE2-CD 3.26Å; E237-K256 WeakPolarHBondContact OE2-CD 3.25Å; E237-K256 WeakPolarHBondContact OE2-CG 3.49Å
238F98.1Very high93.8Very high80 Ų8069.1 Ų69.135%0.35145%0.449SS..EExtended strand (participates in β ladder)trans-143.1113.2177.3-167.5-56.5000107.9A210 T211 Y214 M255A210-F238 HydrophobicContact CB-CE1 3.95Å; A210-F238 HydrophobicContact CB-CE2 4.14Å; A210-F238 HydrophobicContact CB-CZ 3.41Å; A210-F238 VanDerWaalsContact CB-CZ 3.41Å; T211-F238 HydrophobicContact CG2-CZ 4.01Å; Y214-F238 HydrophobicContact CD2-CD2 4.25Å; Y214-F238 HydrophobicContact CD2-CE2 4.44Å; Y214-F238 HydrophobicContact CG-CE2 4.45Å; F238-M255 HydrophobicContact CB-CG 4.38Å; F238-M255 HydrophobicContact CD2-CG 3.57Å; F238-M255 HydrophobicContact CD2-SD 3.46Å; F238-M255 WeakPolarHBondContact CD2-SD 3.4Å; F238-M255 HydrophobicContact CE2-CG 3.92Å; F238-M255 HydrophobicContact CE2-SD 3.38Å; F238-M255 WeakPolarHBondContact CE2-SD 3.46Å; F238-M255 HydrophobicContact CG-CG 3.92Å; F238-M255 HydrophobicContact CG-SD 4.39Å; F238-M255 HydrophobicContact CZ-SD 4.25Å
239V97.6Very high94.2Very high57 Ų5766.1 Ų66.135%0.34542%0.421SS..EExtended strand (participates in β ladder)trans-131.3133-175.8177.50000110.4E237 A253 Y254E237-V239 HydrophobicContact CG-CG2 4.14Å; V239-A253 CarbonylContact O-C 3.55Å; V239-A253 VanDerWaalsContact O-CA 3.3Å; V239-A253 WeakPolarHBondContact O-CA 3.47Å; V239-Y254 HydrophobicContact CB-CD1 3.81Å; V239-Y254 HydrophobicContact CB-CE1 3.32Å; V239-Y254 HydrophobicContact CB-CE2 4.3Å; V239-Y254 HydrophobicContact CB-CG 4.49Å; V239-Y254 HydrophobicContact CG1-CD1 4.18Å; V239-Y254 HydrophobicContact CG1-CE1 3.54Å; V239-Y254 HydrophobicContact CG2-CE1 3.85Å; V239-Y254 HydrophobicContact CG2-CE2 4.21Å; V239-Y254 WeakPolarHBondContact CG2-OH 3.31Å; V239-Y254 PolarHBondContact N-O 3.28Å; V239-Y254 PolarHBondContact O-N 2.73Å
240G96Very high94.6Very high31 Ų3164.8 Ų64.832%0.3242%0.416SS..EExtended strand (participates in β ladder)trans-155.8140.5171.800000109.8
241G93.9Very high95.2Very high33 Ų3362.6 Ų62.634%0.3442%0.42SS..SBendtrans78177.4-174.900000113.8
242T92.3Very high95.6Very high102 Ų10264.2 Ų64.263%0.62644%0.435SS*.  trans-116.8137.9177.1-53.80000108.9G244 S245T242-G244 PolarHBondContact O-N 3.4Å; T242-S245 PolarHBondContact O-N 3.45Å
243P92.3Very high95.9Very high131 Ų13160.8 Ų60.885%0.85141%0.414SS*.THydrogen-bonded Turntrans-50.6127.6175.3-28.435.5000112.2
244G92.4Very high96Very high81 Ų8164 Ų6484%0.83543%0.426SS*.THydrogen-bonded Turntrans88.7-3.5-179.200000116T242T242-G244 PolarHBondContact O-N 3.4Å
245S93.9Very high96.1Very high45 Ų4560.6 Ų60.632%0.31541%0.405SS..  trans-10548-178.9-54.80000113.5T242 N247 V248T242-S245 PolarHBondContact O-N 3.45Å; S245-N247 PolarHBondContact O-N 3Å; S245-N247 VanDerWaalsContact O-N 3.15Å; S245-V248 PolarHBondContact O-N 2.93Å; S245-V248 VanDerWaalsContact O-N 3.08Å
246S93.6Very high96.2Very high128 Ų12863.3 Ų63.390%0.89542%0.416SS*.THydrogen-bonded Turntrans-66.5-15.2-17457.90000115.2
247N96Very high96.3Very high85 Ų8560.3 Ų60.346%0.45539%0.385SS..THydrogen-bonded Turntrans-95.914.3174.669.6-38.4000113.3H196 G197 S245H196-N247 PolarHBondContact NE2-ND2 2.69Å; G197-N247 PolarHBondContact N-O 3.35Å; S245-N247 PolarHBondContact O-N 3Å; S245-N247 VanDerWaalsContact O-N 3.15Å
248V97.7Very high96.2Very high73 Ų7359.2 Ų59.244%0.44238%0.383SS..EExtended strand (participates in β ladder)trans-121.2127.2-178.6-178.60000109.6S245S245-V248 PolarHBondContact O-N 2.93Å; S245-V248 VanDerWaalsContact O-N 3.08Å
249I97.6Very high96.1Very high19 Ų1955.4 Ų55.410%0.09737%0.366CS..EExtended strand (participates in β ladder)trans-78.1121.9164.4-62.6176.7000106.8G194 S195 P200 S203 D205G194-I249 CarbonylContact C-O 3.56Å; G194-I249 WeakPolarHBondContact CA-O 3.18Å; S195-I249 PolarHBondContact N-O 2.95Å; S195-I249 VanDerWaalsContact N-O 3.14Å; S195-I249 PolarHBondContact O-N 3.21Å; P200-I249 HydrophobicContact CB-CD1 4.3Å; S203-I249 WeakPolarHBondContact OG-CD1 3.23Å; D205-I249 HydrophobicContact CB-CG2 3.89Å
250P97.7Very high95.9Very high19 Ų1955 Ų5512%0.12336%0.359CS..  trans-70.9161.6-179.829.3-34.3000112P206 I207P206-P250 WeakPolarHBondContact CD-O 3.26Å; P206-P250 HydrophobicContact CG-CB 4.46Å; P206-P250 HydrophobicContact CG-CG 3.87Å; P206-P250 WeakPolarHBondContact CG-O 2.98Å; I207-P250 HydrophobicContact CD1-CG 3.8Å; I207-P250 HydrophobicContact CG1-CG 3.87Å
251S97.5Very high95.9Very high76 Ų7653.6 Ų53.653%0.53134%0.344SS..SBendtrans-83.1-11.8171.956.50000113.6G192G192-S251 CarbonylContact C-O 3.53Å; G192-S251 PolarHBondContact N-O 3.44Å
252S98.1Very high95.8Very high62 Ų6253 Ų5343%0.43433%0.333SS..EExtended strand (participates in β ladder)trans-152162.2177.658.50000113.3I190 P206I190-S252 CarbonylContact O-C 3.56Å; I190-S252 WeakPolarHBondContact O-CA 3.16Å; I190-S252 VanDerWaalsContact O-CB 3.22Å; I190-S252 WeakPolarHBondContact O-CB 3.36Å; P206-S252 VanDerWaalsContact CG-C 3.44Å
253A98.4Very high95.8Very high3 Ų352.5 Ų52.53%0.02532%0.322CS..EExtended strand (participates in β ladder)trans-140156.4166.400000108.5I190 P206 A210 V239I190-A253 HydrophobicContact CB-CB 4.43Å; I190-A253 HydrophobicContact CD1-CB 4.47Å; I190-A253 WeakPolarHBondContact CD1-O 3.36Å; I190-A253 PolarHBondContact N-O 2.92Å; I190-A253 PolarHBondContact O-N 3.33Å; P206-A253 HydrophobicContact CB-CB 3.98Å; P206-A253 HydrophobicContact CG-CB 4.35Å; A210-A253 HydrophobicContact CB-CB 4.06Å; V239-A253 CarbonylContact O-C 3.55Å; V239-A253 VanDerWaalsContact O-CA 3.3Å; V239-A253 WeakPolarHBondContact O-CA 3.47Å
254Y97.8Very high95.8Very high83 Ų8348.5 Ų48.533%0.32529%0.292SS..EExtended strand (participates in β ladder)trans-142.1152.9174.878.5-92000112.1I188 E237 V239 K256I188-Y254 CarbonylContact O-C 3.52Å; I188-Y254 VanDerWaalsContact O-CA 3.24Å; I188-Y254 WeakPolarHBondContact O-CA 3.34Å; E237-Y254 VanDerWaalsContact CD-CE2 3.43Å; E237-Y254 HydrophobicContact CG-CE2 3.89Å; E237-Y254 WeakPolarHBondContact OE1-CE2 3.49Å; E237-Y254 VanDerWaalsContact OE1-CZ 3.24Å; E237-Y254 PolarHBondContact OE1-OH 2.92Å; V239-Y254 HydrophobicContact CB-CD1 3.81Å; V239-Y254 HydrophobicContact CB-CE1 3.32Å; V239-Y254 HydrophobicContact CB-CE2 4.3Å; V239-Y254 HydrophobicContact CB-CG 4.49Å; V239-Y254 HydrophobicContact CG1-CD1 4.18Å; V239-Y254 HydrophobicContact CG1-CE1 3.54Å; V239-Y254 HydrophobicContact CG2-CE1 3.85Å; V239-Y254 HydrophobicContact CG2-CE2 4.21Å; V239-Y254 WeakPolarHBondContact CG2-OH 3.31Å; V239-Y254 PolarHBondContact N-O 3.28Å; V239-Y254 PolarHBondContact O-N 2.73Å; Y254-K256 HydrophobicContact CD2-CG 4.22Å; Y254-K256 HydrophobicContact CE2-CG 4.28Å
255M98.5Very high95.8Very high0 Ų051.5 Ų51.50%028%0.284CS..EExtended strand (participates in β ladder)trans-131.9142.4174.4-62.9178.4-78.500110.1E187 I188 I190 A210 I213 I235 E237 F238E187-M255 WeakPolarHBondContact CA-O 3.4Å; I188-M255 HydrophobicContact CB-CB 4.31Å; I188-M255 HydrophobicContact CB-CE 4.15Å; I188-M255 HydrophobicContact CD1-CE 4.02Å; I188-M255 HydrophobicContact CG2-CE 4.03Å; I188-M255 PolarHBondContact N-O 2.93Å; I188-M255 PolarHBondContact O-N 3.48Å; I190-M255 HydrophobicContact CD1-CE 4.07Å; A210-M255 HydrophobicContact CB-CE 4.17Å; I213-M255 HydrophobicContact CB-CE 3.95Å; I213-M255 HydrophobicContact CG2-CE 3.73Å; I235-M255 HydrophobicContact CD1-SD 4.01Å; I235-M255 HydrophobicContact CG2-CB 4.01Å; I235-M255 HydrophobicContact CG2-CG 4.31Å; I235-M255 HydrophobicContact CG2-SD 4.39Å; E237-M255 CarbonylContact O-C 3.51Å; E237-M255 WeakPolarHBondContact O-CA 3.48Å; F238-M255 HydrophobicContact CB-CG 4.38Å; F238-M255 HydrophobicContact CD2-CG 3.57Å; F238-M255 HydrophobicContact CD2-SD 3.46Å; F238-M255 WeakPolarHBondContact CD2-SD 3.4Å; F238-M255 HydrophobicContact CE2-CG 3.92Å; F238-M255 HydrophobicContact CE2-SD 3.38Å; F238-M255 WeakPolarHBondContact CE2-SD 3.46Å; F238-M255 HydrophobicContact CG-CG 3.92Å; F238-M255 HydrophobicContact CG-SD 4.39Å; F238-M255 HydrophobicContact CZ-SD 4.25Å
256K98.2Very high95.8Very high78 Ų7850 Ų5034%0.33927%0.273SS..EExtended strand (participates in β ladder)trans-123.6146.3167.9-51.3-163.5-169.6-162.80110.6F186 E187 I235 G236 E237 Y254F186-K256 WeakPolarHBondContact O-CA 3.43Å; E187-K256 HydrophobicContact CG-CD 4Å; E187-K256 HydrophobicContact CG-CG 4.07Å; E187-K256 VanDerWaalsContact OE1-CE 3.22Å; E187-K256 WeakPolarHBondContact OE1-CE 3.37Å; E187-K256 IonicContact OE1-NZ 3.77Å; E187-K256 PolarHBondContact OE1-NZ 2.81Å; I235-K256 CarbonylContact C-O 3.49Å; I235-K256 WeakPolarHBondContact CA-O 3.44Å; G236-K256 PolarHBondContact N-O 3.28Å; E237-K256 HydrophobicContact CB-CB 3.99Å; E237-K256 HydrophobicContact CB-CG 4.41Å; E237-K256 PolarHBondContact N-O 3.06Å; E237-K256 VanDerWaalsContact N-O 3.1Å; E237-K256 PolarHBondContact O-N 2.78Å; E237-K256 VanDerWaalsContact OE2-CD 3.26Å; E237-K256 WeakPolarHBondContact OE2-CD 3.25Å; E237-K256 WeakPolarHBondContact OE2-CG 3.49Å; Y254-K256 HydrophobicContact CD2-CG 4.22Å; Y254-K256 HydrophobicContact CE2-CG 4.28Å
257G97.2Very high95.9Very high10 Ų1044.2 Ų44.210%0.10323%0.232CC..EExtended strand (participates in β ladder)trans-160.6179.7-178.900000113W185 F186 T234W185-G257 WeakPolarHBondContact CA-O 3.11Å; F186-G257 WeakPolarHBondContact CD1-O 3.19Å; F186-G257 PolarHBondContact N-O 2.85Å; F186-G257 PolarHBondContact O-N 2.72Å; T234-G257 CarbonylContact O-C 3.14Å; T234-G257 WeakPolarHBondContact O-CA 3.39Å
258T95.9Very high95.8Very high47 Ų4744.4 Ų44.429%0.28823%0.23SC..EExtended strand (participates in β ladder)trans-130.1152.8174630000110.5D184 W185 L233 T234D184-T258 CarbonylContact O-C 3.59Å; D184-T258 WeakPolarHBondContact O-CA 3.41Å; W185-T258 HydrophobicContact CG-CG2 4.08Å; L233-T258 WeakPolarHBondContact CA-O 3.34Å; T234-T258 PolarHBondContact N-O 3.02Å; T234-T258 PolarHBondContact O-N 3.11Å
259M95.3Very high95.8Very high0 Ų044.6 Ų44.60%023%0.226CC..EExtended strand (participates in β ladder)trans-125.3153.6166.655.8174.2-77.400110.8A183 D184 F231 V232 R267 I270 K271 M274 F293A183-M259 WeakPolarHBondContact CA-O 3.42Å; D184-M259 HydrophobicContact CB-CG 3.65Å; D184-M259 HydrophobicContact CB-SD 4.17Å; D184-M259 PolarHBondContact N-O 3.39Å; D184-M259 PolarHBondContact O-N 3.41Å; F231-M259 HydrophobicContact CE2-CB 4.09Å; V232-M259 CarbonylContact O-C 3.53Å; V232-M259 WeakPolarHBondContact O-CA 3.24Å; M259-R267 HydrophobicContact CE-CB 4.45Å; M259-R267 HydrophobicContact CE-CG 3.88Å; M259-I270 HydrophobicContact CE-CB 3.73Å; M259-I270 HydrophobicContact CE-CD1 4.01Å; M259-I270 HydrophobicContact CE-CG2 3.61Å; M259-I270 HydrophobicContact SD-CB 4.36Å; M259-I270 HydrophobicContact SD-CG2 3.68Å; M259-K271 HydrophobicContact CE-CG 4.1Å; M259-K271 HydrophobicContact SD-CG 3.81Å; M259-M274 HydrophobicContact SD-SD 3.92Å; M259-F293 HydrophobicContact SD-CE1 4.22Å
260R94.7Very high95.7Very high49 Ų4943.7 Ų43.719%0.18522%0.221CC..EExtended strand (participates in β ladder)trans-134137.7175.7-63.4-65.6-175.9-86.16.3109.9A181 S182 A183 F231 V232 S335A181-R260 HydrophobicContact CB-CB 4.25Å; S182-R260 VanDerWaalsContact O-CA 3.29Å; S182-R260 WeakPolarHBondContact O-CA 3.16Å; S182-R260 WeakPolarHBondContact O-CD 3.4Å; A183-R260 VanDerWaalsContact CB-NH1 3.31Å; F231-R260 WeakPolarHBondContact CA-O 3.14Å; F231-R260 WeakPolarHBondContact CD2-O 3.44Å; V232-R260 HydrophobicContact CB-CB 4.44Å; V232-R260 PolarHBondContact N-O 3.25Å; V232-R260 VanDerWaalsContact N-O 3.1Å; V232-R260 PolarHBondContact O-N 2.91Å; R260-S335 PolarHBondContact NH2-OG 2.85Å
261S94.4Very high95.6Very high1 Ų144.4 Ų44.41%0.00722%0.222CC..EExtended strand (participates in β ladder)trans-144.1152.9174.6-168.80000110.9A181 S182 K263 V266A181-S261 CarbonylContact C-O 3.56Å; A181-S261 WeakPolarHBondContact CA-O 3.44Å; S182-S261 PolarHBondContact N-O 3.41Å; S182-S261 PolarHBondContact OG-N 3.06Å; S182-S261 PolarHBondContact OG-O 2.7Å; S261-K263 PolarHBondContact OG-N 2.91Å; S261-K263 PolarHBondContact OG-O 3.29Å; S261-V266 WeakPolarHBondContact OG-CB 3.48Å; S261-V266 WeakPolarHBondContact OG-CG1 3.4Å
262L93.2Very high95.7Very high21 Ų2146.7 Ų46.711%0.1122%0.223CC..SBendtrans-91.7-14.2173.2-64.6176.5000113.2T178 A181 R230 P331T178-L262 HydrophobicContact CG2-CB 4.25Å; T178-L262 HydrophobicContact CG2-CD2 4.07Å; T178-L262 WeakPolarHBondContact CG2-O 3.47Å; T178-L262 PolarHBondContact OG1-O 3.19Å; A181-L262 HydrophobicContact CB-CD2 4.02Å; R230-L262 HydrophobicContact CB-CD1 3.67Å; R230-L262 HydrophobicContact CB-CG 4.1Å; R230-L262 HydrophobicContact CG-CD1 3.84Å; L262-P331 HydrophobicContact CD1-CB 4.38Å; L262-P331 HydrophobicContact CD1-CG 3.4Å; L262-P331 HydrophobicContact CD2-CB 3.79Å; L262-P331 HydrophobicContact CD2-CG 3.72Å; L262-P331 HydrophobicContact CG-CG 4.2Å
263K92Very high95.6Very high92 Ų9247.1 Ų47.140%0.422%0.215SC..  trans-125.8133.9-177.6-67.1-171.6-172.51660110.2E229 S261 E265 V266 R267E229-K263 VanDerWaalsContact CD-NZ 3.31Å; E229-K263 IonicContact OE1-NZ 2.82Å; E229-K263 PolarHBondContact OE1-NZ 3.36Å; E229-K263 WeakPolarHBondContact OE2-CD 3.45Å; E229-K263 WeakPolarHBondContact OE2-CE 3.44Å; E229-K263 IonicContact OE2-NZ 2.89Å; E229-K263 PolarHBondContact OE2-NZ 3.33Å; E229-K263 VanDerWaalsContact OE2-NZ 3.12Å; S261-K263 PolarHBondContact OG-N 2.91Å; S261-K263 PolarHBondContact OG-O 3.29Å; K263-E265 VanDerWaalsContact C-N 3.29Å; K263-E265 PolarHBondContact O-N 3.49Å; K263-V266 HydrophobicContact CB-CB 4.13Å; K263-V266 HydrophobicContact CB-CG2 3.93Å; K263-V266 HydrophobicContact CD-CG2 4.47Å; K263-V266 PolarHBondContact O-N 3.45Å; K263-R267 WeakPolarHBondContact O-CB 3.46Å; K263-R267 PolarHBondContact O-N 3.04Å
264E91.3Very high95.6Very high47 Ų4747 Ų4722%0.2221%0.213CC..Hα-helixtrans-64.4-35.5-179.3-170.856.1-146.900111.3V266 R267 Q268E264-V266 VanDerWaalsContact C-N 3.35Å; E264-V266 PolarHBondContact O-N 3.11Å; E264-R267 WeakPolarHBondContact O-CB 3.48Å; E264-R267 PolarHBondContact O-N 2.85Å; E264-R267 IonicContact OE1-NH1 3.89Å; E264-R267 PolarHBondContact OE1-NH1 2.87Å; E264-R267 WeakPolarHBondContact OE2-CD 3.48Å; E264-R267 IonicContact OE2-CZ 2.76Å; E264-R267 IonicContact OE2-NE 3.63Å; E264-R267 IonicContact OE2-NH1 3.7Å; E264-R267 PolarHBondContact OE2-NH1 3.29Å; E264-Q268 WeakPolarHBondContact O-CG 3.46Å; E264-Q268 PolarHBondContact O-N 3.2Å; E264-Q268 PolarHBondContact OE1-NE2 3.45Å
265E93.2Very high95.6Very high143 Ų14346.4 Ų46.467%0.66822%0.215SC*.Hα-helixtrans-64.8-40.7176.6-54.683.6-17700111.9K263 Q268 Q269K263-E265 VanDerWaalsContact C-N 3.29Å; K263-E265 PolarHBondContact O-N 3.49Å; E265-Q268 PolarHBondContact O-N 3.04Å; E265-Q269 WeakPolarHBondContact O-CB 3.28Å; E265-Q269 PolarHBondContact O-N 3.43Å
266V94Very high95.6Very high13 Ų1349.6 Ų49.68%0.07923%0.23CC..Hα-helixtrans-66.4-45.2177.2174.50000109.7I225 E229 S261 K263 E264 Q268 Q269 I270I225-V266 HydrophobicContact CD1-CG1 4.27Å; I225-V266 HydrophobicContact CG2-CG1 3.93Å; E229-V266 HydrophobicContact CB-CG2 4.37Å; E229-V266 HydrophobicContact CG-CG2 3.92Å; S261-V266 WeakPolarHBondContact OG-CB 3.48Å; S261-V266 WeakPolarHBondContact OG-CG1 3.4Å; K263-V266 HydrophobicContact CB-CB 4.13Å; K263-V266 HydrophobicContact CB-CG2 3.93Å; K263-V266 HydrophobicContact CD-CG2 4.47Å; K263-V266 PolarHBondContact O-N 3.45Å; E264-V266 VanDerWaalsContact C-N 3.35Å; E264-V266 PolarHBondContact O-N 3.11Å; V266-Q268 PolarHBondContact O-N 3.46Å; V266-Q269 WeakPolarHBondContact O-CB 3.49Å; V266-Q269 PolarHBondContact O-N 3.04Å; V266-I270 HydrophobicContact CG1-CD1 3.65Å; V266-I270 HydrophobicContact CG1-CG1 4.44Å; V266-I270 VanDerWaalsContact O-CD1 3.25Å; V266-I270 WeakPolarHBondContact O-CD1 3.09Å; V266-I270 VanDerWaalsContact O-CG1 3.23Å; V266-I270 WeakPolarHBondContact O-CG1 3.31Å; V266-I270 PolarHBondContact O-N 3.27Å
267R94.9Very high95.6Very high8 Ų846.9 Ų46.93%0.0322%0.219CC..Hα-helixtrans-53.8-52.1174.3-173.8-163.8177.2-167.12.2111.4S182 D184 M259 K263 E264 Q269 I270 K271 C297 C298S182-R267 WeakPolarHBondContact OG-CD 3.49Å; D184-R267 IonicContact OD1-CZ 2.72Å; D184-R267 IonicContact OD1-NE 2.94Å; D184-R267 PolarHBondContact OD1-NE 2.72Å; D184-R267 IonicContact OD1-NH2 3.92Å; D184-R267 PolarHBondContact OD1-NH2 3.32Å; D184-R267 WeakPolarHBondContact OD2-CG 2.87Å; D184-R267 IonicContact OD2-CZ 3.37Å; D184-R267 IonicContact OD2-NE 2.99Å; D184-R267 PolarHBondContact OD2-NE 3.37Å; D184-R267 IonicContact OD2-NH2 3.19Å; M259-R267 HydrophobicContact CE-CB 4.45Å; M259-R267 HydrophobicContact CE-CG 3.88Å; K263-R267 WeakPolarHBondContact O-CB 3.46Å; K263-R267 PolarHBondContact O-N 3.04Å; E264-R267 WeakPolarHBondContact O-CB 3.48Å; E264-R267 PolarHBondContact O-N 2.85Å; E264-R267 IonicContact OE1-NH1 3.89Å; E264-R267 PolarHBondContact OE1-NH1 2.87Å; E264-R267 WeakPolarHBondContact OE2-CD 3.48Å; E264-R267 IonicContact OE2-CZ 2.76Å; E264-R267 IonicContact OE2-NE 3.63Å; E264-R267 IonicContact OE2-NH1 3.7Å; E264-R267 PolarHBondContact OE2-NH1 3.29Å; R267-Q269 PolarHBondContact O-N 3.41Å; R267-I270 PolarHBondContact O-N 2.79Å; R267-K271 HydrophobicContact CG-CD 4.4Å; R267-K271 WeakPolarHBondContact O-CG 3.4Å; R267-K271 PolarHBondContact O-N 3.18Å; R267-C297 PolarHBondContact NH2-O 3.42Å; R267-C298 PolarHBondContact NH1-SG 3.31Å; R267-C298 VanDerWaalsContact NH1-SG 3.39Å
268Q95.5Very high95.7Very high89 Ų8946.4 Ų46.442%0.41621%0.214SC..Hα-helixtrans-66.2-38.2-179.7-65.4-55.7-34.900112.6E264 E265 V266 K271 K272E264-Q268 WeakPolarHBondContact O-CG 3.46Å; E264-Q268 PolarHBondContact O-N 3.2Å; E264-Q268 PolarHBondContact OE1-NE2 3.45Å; E265-Q268 PolarHBondContact O-N 3.04Å; V266-Q268 PolarHBondContact O-N 3.46Å; Q268-K271 PolarHBondContact O-N 2.96Å; Q268-K272 WeakPolarHBondContact O-CB 3.29Å; Q268-K272 PolarHBondContact O-N 3.2Å
269Q95.9Very high95.8Very high76 Ų7646.2 Ų46.236%0.35521%0.213SC..Hα-helixtrans-56.7-50.9172.1179.6-173.7-1100110.6E224 I225 E265 V266 R267 K271 K272 R273E224-Q269 PolarHBondContact O-NE2 2.74Å; I225-Q269 HydrophobicContact CD1-CG 4.33Å; E265-Q269 WeakPolarHBondContact O-CB 3.28Å; E265-Q269 PolarHBondContact O-N 3.43Å; V266-Q269 WeakPolarHBondContact O-CB 3.49Å; V266-Q269 PolarHBondContact O-N 3.04Å; R267-Q269 PolarHBondContact O-N 3.41Å; Q269-K271 PolarHBondContact O-N 3.06Å; Q269-K272 PolarHBondContact O-N 3.01Å; Q269-R273 HydrophobicContact CG-CG 4.29Å; Q269-R273 WeakPolarHBondContact O-CB 3.09Å; Q269-R273 WeakPolarHBondContact O-CG 3.46Å; Q269-R273 PolarHBondContact O-N 2.87Å
270I95.7Very high96Very high0 Ų049.2 Ų49.20%023%0.234CC..Hα-helixtrans-60.4-48-179.1-65.9152.3000110.7L220 I225 F231 M259 V266 R267 K272 R273 M274L220-I270 HydrophobicContact CD1-CG2 4.39Å; I225-I270 HydrophobicContact CD1-CD1 4.39Å; I225-I270 HydrophobicContact CD1-CG1 3.77Å; I225-I270 HydrophobicContact CG1-CD1 4.47Å; I225-I270 HydrophobicContact CG1-CG1 4.09Å; F231-I270 HydrophobicContact CB-CD1 4.3Å; F231-I270 HydrophobicContact CD1-CD1 4.17Å; F231-I270 HydrophobicContact CD2-CD1 3.19Å; F231-I270 HydrophobicContact CD2-CG1 4.21Å; F231-I270 HydrophobicContact CE1-CD1 4.28Å; F231-I270 HydrophobicContact CE1-CG1 4.37Å; F231-I270 HydrophobicContact CE2-CB 4.4Å; F231-I270 HydrophobicContact CE2-CD1 3.34Å; F231-I270 HydrophobicContact CE2-CG1 3.95Å; F231-I270 HydrophobicContact CE2-CG2 3.71Å; F231-I270 HydrophobicContact CG-CD1 3.63Å; F231-I270 HydrophobicContact CZ-CD1 3.87Å; F231-I270 HydrophobicContact CZ-CG1 4Å; F231-I270 HydrophobicContact CZ-CG2 3.67Å; M259-I270 HydrophobicContact CE-CB 3.73Å; M259-I270 HydrophobicContact CE-CD1 4.01Å; M259-I270 HydrophobicContact CE-CG2 3.61Å; M259-I270 HydrophobicContact SD-CB 4.36Å; M259-I270 HydrophobicContact SD-CG2 3.68Å; V266-I270 HydrophobicContact CG1-CD1 3.65Å; V266-I270 HydrophobicContact CG1-CG1 4.44Å; V266-I270 VanDerWaalsContact O-CD1 3.25Å; V266-I270 WeakPolarHBondContact O-CD1 3.09Å; V266-I270 VanDerWaalsContact O-CG1 3.23Å; V266-I270 WeakPolarHBondContact O-CG1 3.31Å; V266-I270 PolarHBondContact O-N 3.27Å; R267-I270 PolarHBondContact O-N 2.79Å; I270-K272 VanDerWaalsContact C-N 3.32Å; I270-K272 PolarHBondContact O-N 2.92Å; I270-R273 PolarHBondContact O-N 3.01Å; I270-R273 VanDerWaalsContact O-N 3.13Å; I270-M274 HydrophobicContact CG2-CG 4.11Å; I270-M274 HydrophobicContact CG2-SD 3.81Å; I270-M274 WeakPolarHBondContact O-CB 3.36Å; I270-M274 VanDerWaalsContact O-CG 3.27Å; I270-M274 WeakPolarHBondContact O-CG 3.28Å; I270-M274 PolarHBondContact O-N 3.25Å
271K97.1Very high96.2Very high35 Ų3548.3 Ų48.315%0.15223%0.233CC..Hα-helixtrans-57.4-46.2-179.9-68.4179.773.2156.70111.7D184 M259 R267 Q268 Q269 M274 I275 F293D184-K271 IonicContact OD1-NZ 3.58Å; D184-K271 PolarHBondContact OD1-NZ 3.05Å; M259-K271 HydrophobicContact CE-CG 4.1Å; M259-K271 HydrophobicContact SD-CG 3.81Å; R267-K271 HydrophobicContact CG-CD 4.4Å; R267-K271 WeakPolarHBondContact O-CG 3.4Å; R267-K271 PolarHBondContact O-N 3.18Å; Q268-K271 PolarHBondContact O-N 2.96Å; Q269-K271 PolarHBondContact O-N 3.06Å; K271-M274 PolarHBondContact O-N 2.8Å; K271-I275 WeakPolarHBondContact O-CG1 3.43Å; K271-I275 PolarHBondContact O-N 3.27Å; K271-F293 HydrophobicContact CB-CE1 4.15Å; K271-F293 HydrophobicContact CB-CE2 3.91Å; K271-F293 HydrophobicContact CB-CZ 3.6Å; K271-F293 HydrophobicContact CD-CD1 4.36Å; K271-F293 HydrophobicContact CD-CE1 4.29Å; K271-F293 HydrophobicContact CD-CZ 4.47Å; K271-F293 VanDerWaalsContact CE-CG 3.42Å; K271-F293 HydrophobicContact CG-CD1 4.2Å; K271-F293 HydrophobicContact CG-CE1 3.65Å; K271-F293 HydrophobicContact CG-CE2 4.21Å; K271-F293 HydrophobicContact CG-CZ 3.66Å
272K97.6Very high96.4Very high124 Ų12448.2 Ų48.254%0.53923%0.232SC..Hα-helixtrans-58.8-49.9175176.8-178.6172.1-177.30111.5Q268 Q269 I270 M274 I275 E276Q268-K272 WeakPolarHBondContact O-CB 3.29Å; Q268-K272 PolarHBondContact O-N 3.2Å; Q269-K272 PolarHBondContact O-N 3.01Å; I270-K272 VanDerWaalsContact C-N 3.32Å; I270-K272 PolarHBondContact O-N 2.92Å; K272-M274 VanDerWaalsContact C-N 3.34Å; K272-M274 PolarHBondContact O-N 2.9Å; K272-I275 PolarHBondContact O-N 3.35Å; K272-E276 WeakPolarHBondContact CE-OE1 3.49Å; K272-E276 IonicContact NZ-OE1 3.01Å; K272-E276 WeakPolarHBondContact O-CG 3.24Å; K272-E276 PolarHBondContact O-N 3.46Å
273R97.4Very high96.6Very high70 Ų7054.5 Ų54.526%0.26426%0.261SS..Hα-helixtrans-66.9-35-176.9-66.5-59.6-60.8144.51.3112.6L220 E224 Q269 I270 I275 E276 I277L220-R273 HydrophobicContact CD2-CB 3.86Å; E224-R273 IonicContact OE1-CZ 3.31Å; E224-R273 IonicContact OE1-NE 3.66Å; E224-R273 PolarHBondContact OE1-NE 3.24Å; E224-R273 IonicContact OE1-NH2 3.66Å; E224-R273 PolarHBondContact OE1-NH2 3.5Å; E224-R273 WeakPolarHBondContact OE2-CD 3.47Å; E224-R273 VanDerWaalsContact OE2-CG 3.3Å; E224-R273 WeakPolarHBondContact OE2-CG 3.32Å; E224-R273 IonicContact OE2-CZ 3.25Å; E224-R273 IonicContact OE2-NE 3.6Å; E224-R273 PolarHBondContact OE2-NE 3.41Å; E224-R273 IonicContact OE2-NH2 2.8Å; Q269-R273 HydrophobicContact CG-CG 4.29Å; Q269-R273 WeakPolarHBondContact O-CB 3.09Å; Q269-R273 WeakPolarHBondContact O-CG 3.46Å; Q269-R273 PolarHBondContact O-N 2.87Å; I270-R273 PolarHBondContact O-N 3.01Å; I270-R273 VanDerWaalsContact O-N 3.13Å; R273-I275 PolarHBondContact O-N 2.81Å; R273-E276 WeakPolarHBondContact CD-OE2 3.36Å; R273-E276 IonicContact CZ-OE2 3.86Å; R273-E276 IonicContact NE-OE2 3.97Å; R273-E276 IonicContact NH1-OE2 2.74Å; R273-E276 PolarHBondContact NH1-OE2 3.1Å; R273-E276 PolarHBondContact O-N 3.24Å; R273-I277 VanDerWaalsContact O-CB 3.3Å; R273-I277 WeakPolarHBondContact O-CB 3.3Å; R273-I277 VanDerWaalsContact O-CG1 3.24Å; R273-I277 WeakPolarHBondContact O-CG1 3.21Å; R273-I277 PolarHBondContact O-N 2.73Å
274M98.1Very high96.9Very high0 Ų054 Ų540%027%0.274CS..Hα-helixtrans-58.6-47.5172.9-73.8175.767.500111.6F186 L217 L220 L233 M259 I270 K271 K272 S278 I291 F293F186-M274 HydrophobicContact CB-CE 4.36Å; F186-M274 HydrophobicContact CD1-CE 3.62Å; F186-M274 HydrophobicContact CD2-CE 3.62Å; F186-M274 HydrophobicContact CE1-CE 3.63Å; F186-M274 HydrophobicContact CE2-CE 3.67Å; F186-M274 HydrophobicContact CG-CE 3.6Å; F186-M274 HydrophobicContact CZ-CE 3.66Å; L217-M274 HydrophobicContact CD1-CE 4.36Å; L217-M274 HydrophobicContact CD2-CB 4.22Å; L217-M274 HydrophobicContact CD2-CG 3.94Å; L220-M274 HydrophobicContact CD1-CG 4.11Å; L233-M274 HydrophobicContact CD1-CE 4.2Å; L233-M274 HydrophobicContact CD1-CG 4.3Å; L233-M274 HydrophobicContact CD1-SD 3.87Å; M259-M274 HydrophobicContact SD-SD 3.92Å; I270-M274 HydrophobicContact CG2-CG 4.11Å; I270-M274 HydrophobicContact CG2-SD 3.81Å; I270-M274 WeakPolarHBondContact O-CB 3.36Å; I270-M274 VanDerWaalsContact O-CG 3.27Å; I270-M274 WeakPolarHBondContact O-CG 3.28Å; I270-M274 PolarHBondContact O-N 3.25Å; K271-M274 PolarHBondContact O-N 2.8Å; K272-M274 VanDerWaalsContact C-N 3.34Å; K272-M274 PolarHBondContact O-N 2.9Å; M274-S278 VanDerWaalsContact O-CB 3.24Å; M274-S278 WeakPolarHBondContact O-CB 3.34Å; M274-S278 PolarHBondContact O-N 3.04Å; M274-S278 VanDerWaalsContact O-N 3.1Å; M274-S278 PolarHBondContact O-OG 2.89Å; M274-I291 HydrophobicContact CB-CD1 4.38Å; M274-I291 VanDerWaalsContact O-CD1 3.31Å; M274-I291 WeakPolarHBondContact O-CD1 2.88Å; M274-F293 HydrophobicContact CB-CZ 4.47Å; M274-F293 HydrophobicContact CE-CE1 4.34Å; M274-F293 HydrophobicContact CE-CZ 4.49Å; M274-F293 HydrophobicContact SD-CE1 4.19Å; M274-F293 HydrophobicContact SD-CZ 4.24Å
275I98.4Very high97.2Very high72 Ų7256.1 Ų56.137%0.36928%0.283SS..Hα-helixtrans-60.4-52.6176.5-65.2165.7000110.3K271 K272 R273 S278 T279 I291 F293K271-I275 WeakPolarHBondContact O-CG1 3.43Å; K271-I275 PolarHBondContact O-N 3.27Å; K272-I275 PolarHBondContact O-N 3.35Å; R273-I275 PolarHBondContact O-N 2.81Å; I275-S278 PolarHBondContact O-N 3.27Å; I275-T279 HydrophobicContact CG2-CG2 4.33Å; I275-T279 WeakPolarHBondContact O-CB 3.43Å; I275-T279 VanDerWaalsContact O-CG2 3.29Å; I275-T279 WeakPolarHBondContact O-CG2 2.98Å; I275-T279 PolarHBondContact O-N 3.11Å; I275-T279 PolarHBondContact O-OG1 3.48Å; I275-I291 HydrophobicContact CG1-CB 4.28Å; I275-I291 HydrophobicContact CG1-CG2 4.39Å; I275-F293 HydrophobicContact CD1-CE2 3.99Å; I275-F293 HydrophobicContact CG1-CE2 4.11Å
276E98.3Very high97.5Very high67 Ų6751.7 Ų51.731%0.31328%0.275SS..Hα-helixtrans-61.5-47.1-176.2-71.3174.5164.800112.6K272 R273 T279 S280K272-E276 WeakPolarHBondContact CE-OE1 3.49Å; K272-E276 IonicContact NZ-OE1 3.01Å; K272-E276 WeakPolarHBondContact O-CG 3.24Å; K272-E276 PolarHBondContact O-N 3.46Å; R273-E276 WeakPolarHBondContact CD-OE2 3.36Å; R273-E276 IonicContact CZ-OE2 3.86Å; R273-E276 IonicContact NE-OE2 3.97Å; R273-E276 IonicContact NH1-OE2 2.74Å; R273-E276 PolarHBondContact NH1-OE2 3.1Å; R273-E276 PolarHBondContact O-N 3.24Å; E276-T279 PolarHBondContact O-OG1 3.43Å; E276-S280 WeakPolarHBondContact O-CB 3.49Å; E276-S280 PolarHBondContact O-N 3.02Å; E276-S280 PolarHBondContact O-OG 3.35Å
277I98.1Very high97.7Very high21 Ų2151.5 Ų51.511%0.10828%0.275CS..Hα-helixtrans-62.4-49.3179.4-71.3168.9000110.2A216 L217 L220 R273 S280 I281A216-I277 HydrophobicContact CB-CG2 3.6Å; L217-I277 HydrophobicContact CD2-CB 4.24Å; L217-I277 HydrophobicContact CD2-CD1 4.35Å; L217-I277 HydrophobicContact CD2-CG2 4.09Å; L220-I277 HydrophobicContact CD2-CD1 3.73Å; L220-I277 HydrophobicContact CG-CD1 4.23Å; R273-I277 VanDerWaalsContact O-CB 3.3Å; R273-I277 WeakPolarHBondContact O-CB 3.3Å; R273-I277 VanDerWaalsContact O-CG1 3.24Å; R273-I277 WeakPolarHBondContact O-CG1 3.21Å; R273-I277 PolarHBondContact O-N 2.73Å; I277-S280 PolarHBondContact O-N 3.47Å; I277-I281 HydrophobicContact CG2-CD1 3.7Å; I277-I281 WeakPolarHBondContact O-CG1 3.45Å; I277-I281 PolarHBondContact O-N 2.85Å
278S98.5Very high97.8Very high0 Ų056.9 Ų56.90%030%0.298CS..Hα-helixtrans-70.5-41.2-170.9-52.20000111.8I213 M274 I275 G282 I291I213-S278 WeakPolarHBondContact CG2-OG 3.3Å; M274-S278 VanDerWaalsContact O-CB 3.24Å; M274-S278 WeakPolarHBondContact O-CB 3.34Å; M274-S278 PolarHBondContact O-N 3.04Å; M274-S278 VanDerWaalsContact O-N 3.1Å; M274-S278 PolarHBondContact O-OG 2.89Å; I275-S278 PolarHBondContact O-N 3.27Å; S278-G282 PolarHBondContact O-N 3.49Å; S278-I291 WeakPolarHBondContact OG-CD1 3.24Å
279T98.4Very high98Very high42 Ų4253.2 Ų53.226%0.25828%0.282SS..Hα-helixtrans-66.5-39.4174.9550000112I275 E276 G282 Q283I275-T279 HydrophobicContact CG2-CG2 4.33Å; I275-T279 WeakPolarHBondContact O-CB 3.43Å; I275-T279 VanDerWaalsContact O-CG2 3.29Å; I275-T279 WeakPolarHBondContact O-CG2 2.98Å; I275-T279 PolarHBondContact O-N 3.11Å; I275-T279 PolarHBondContact O-OG1 3.48Å; E276-T279 PolarHBondContact O-OG1 3.43Å; T279-G282 PolarHBondContact O-N 3.18Å; T279-Q283 WeakPolarHBondContact O-CG 3.33Å; T279-Q283 PolarHBondContact O-N 2.92Å
280S98.5Very high98.1Very high64 Ų6451.7 Ų51.745%0.44828%0.278SS..Hα-helixtrans-66.2-40.8176.8-59.60000112.6E276 I277 Q283 A284E276-S280 WeakPolarHBondContact O-CB 3.49Å; E276-S280 PolarHBondContact O-N 3.02Å; E276-S280 PolarHBondContact O-OG 3.35Å; I277-S280 PolarHBondContact O-N 3.47Å; S280-Q283 PolarHBondContact O-N 2.98Å; S280-A284 PolarHBondContact O-N 2.84Å
281I98.6Very high98.2Very high29 Ų2952.7 Ų52.715%0.14928%0.283CS..Hα-helixtrans-64.8-44.3174-69.2169.9000110V209 K212 I213 A216 I277 Q283 A284 F285V209-I281 HydrophobicContact CG1-CG2 4.31Å; K212-I281 HydrophobicContact CB-CG2 3.83Å; I213-I281 HydrophobicContact CG1-CB 3.98Å; I213-I281 HydrophobicContact CG1-CD1 4.15Å; I213-I281 HydrophobicContact CG1-CG2 3.78Å; A216-I281 HydrophobicContact CB-CD1 3.58Å; I277-I281 HydrophobicContact CG2-CD1 3.7Å; I277-I281 WeakPolarHBondContact O-CG1 3.45Å; I277-I281 PolarHBondContact O-N 2.85Å; I281-Q283 VanDerWaalsContact C-N 3.34Å; I281-Q283 PolarHBondContact O-N 2.85Å; I281-A284 PolarHBondContact O-N 2.79Å; I281-F285 HydrophobicContact CG2-CD2 4.03Å; I281-F285 HydrophobicContact CG2-CE2 4.14Å; I281-F285 VanDerWaalsContact O-CD2 3.31Å; I281-F285 WeakPolarHBondContact O-CD2 3.18Å; I281-F285 PolarHBondContact O-N 3.28Å
282G98.6Very high98.2Very high0 Ų054.3 Ų54.30%029%0.293CS..Hα-helixtrans-51.3-52.9172.400000112.1S278 T279 A284 F285 G286 A287S278-G282 PolarHBondContact O-N 3.49Å; T279-G282 PolarHBondContact O-N 3.18Å; G282-A284 VanDerWaalsContact C-N 3.34Å; G282-A284 PolarHBondContact O-N 3.35Å; G282-F285 CarbonylContact O-C 3.56Å; G282-F285 PolarHBondContact O-N 3.01Å; G282-F285 VanDerWaalsContact O-N 3.15Å; G282-G286 PolarHBondContact O-N 3.19Å; G282-A287 CarbonylContact C-O 3.56Å; G282-A287 WeakPolarHBondContact CA-O 3.36Å; G282-A287 PolarHBondContact O-N 2.9Å; G282-A287 VanDerWaalsContact O-O 3.13Å
283Q98.4Very high98.2Very high152 Ų15250.9 Ų50.971%0.7128%0.279SS*.Hα-helixtrans-57.8-42.3177.6-72.81743.600113T279 S280 I281 F285 G286T279-Q283 WeakPolarHBondContact O-CG 3.33Å; T279-Q283 PolarHBondContact O-N 2.92Å; S280-Q283 PolarHBondContact O-N 2.98Å; I281-Q283 VanDerWaalsContact C-N 3.34Å; I281-Q283 PolarHBondContact O-N 2.85Å; Q283-F285 PolarHBondContact O-N 3.06Å; Q283-G286 PolarHBondContact O-N 2.85Å; Q283-G286 VanDerWaalsContact O-N 3.16Å
284A98.5Very high97.9Very high81 Ų8150.5 Ų50.567%0.66928%0.284SS*.Hα-helixtrans-61.3-27.1-179.900000113.3S280 I281 G282S280-A284 PolarHBondContact O-N 2.84Å; I281-A284 PolarHBondContact O-N 2.79Å; G282-A284 VanDerWaalsContact C-N 3.34Å; G282-A284 PolarHBondContact O-N 3.35Å
285F98Very high97.7Very high93 Ų9352 Ų5241%0.40829%0.292SS..THydrogen-bonded Turntrans-1095.6178.6-67.6-76.6000113.4I204 V209 K212 I281 G282 Q283 A287I204-F285 WeakPolarHBondContact CG2-O 3.39Å; V209-F285 HydrophobicContact CG2-CB 3.53Å; V209-F285 HydrophobicContact CG2-CD2 4.25Å; V209-F285 HydrophobicContact CG2-CG 4.05Å; K212-F285 HydrophobicContact CB-CE2 4.47Å; K212-F285 HydrophobicContact CG-CE2 4.17Å; K212-F285 HydrophobicContact CG-CZ 4.35Å; I281-F285 HydrophobicContact CG2-CD2 4.03Å; I281-F285 HydrophobicContact CG2-CE2 4.14Å; I281-F285 VanDerWaalsContact O-CD2 3.31Å; I281-F285 WeakPolarHBondContact O-CD2 3.18Å; I281-F285 PolarHBondContact O-N 3.28Å; G282-F285 CarbonylContact O-C 3.56Å; G282-F285 PolarHBondContact O-N 3.01Å; G282-F285 VanDerWaalsContact O-N 3.15Å; Q283-F285 PolarHBondContact O-N 3.06Å; F285-A287 VanDerWaalsContact C-N 3.32Å; F285-A287 PolarHBondContact O-N 3.04Å
286G97.9Very high97.5Very high49 Ų4948.7 Ų48.751%0.50528%0.276SS..THydrogen-bonded Turntrans7610.8-179.700000115.5I204 G282 Q283I204-G286 WeakPolarHBondContact CD1-O 3.45Å; G282-G286 PolarHBondContact O-N 3.19Å; Q283-G286 PolarHBondContact O-N 2.85Å; Q283-G286 VanDerWaalsContact O-N 3.16Å
287A98.5Very high97.3Very high9 Ų945.5 Ų45.57%0.07426%0.261CS..  trans-90.3149177.200000111.9I190 E191 I204 V209 G282 F285I190-A287 HydrophobicContact CG2-CB 4.12Å; E191-A287 WeakPolarHBondContact O-CA 3.23Å; E191-A287 WeakPolarHBondContact O-CB 3.42Å; I204-A287 HydrophobicContact CG2-CB 3.89Å; V209-A287 HydrophobicContact CB-CB 4.46Å; V209-A287 HydrophobicContact CG1-CB 4.18Å; V209-A287 HydrophobicContact CG2-CB 3.89Å; G282-A287 CarbonylContact C-O 3.56Å; G282-A287 WeakPolarHBondContact CA-O 3.36Å; G282-A287 PolarHBondContact O-N 2.9Å; G282-A287 VanDerWaalsContact O-O 3.13Å; F285-A287 VanDerWaalsContact C-N 3.32Å; F285-A287 PolarHBondContact O-N 3.04Å
288K98.6Very high97.2Very high122 Ų12245.2 Ų45.253%0.5326%0.261SS..EExtended strand (participates in β ladder)trans-89.3126.6168.7175.1-178.1169.9-133.80108.6E191E191-K288 HydrophobicContact CB-CB 4.24Å; E191-K288 PolarHBondContact N-O 3.18Å; E191-K288 PolarHBondContact O-N 3.46Å; E191-K288 WeakPolarHBondContact OE1-CD 3.46Å; E191-K288 WeakPolarHBondContact OE1-CE 3.4Å; E191-K288 IonicContact OE1-NZ 2.86Å; E191-K288 PolarHBondContact OE1-NZ 3.01Å; E191-K288 IonicContact OE2-NZ 3.27Å
289V98.8Very high97.1Very high12 Ų1245.3 Ų45.37%0.07326%0.261CS..EExtended strand (participates in β ladder)trans-123.9129.8-178.6179.20000109I188 K189 I190 V209 I213I188-V289 HydrophobicContact CG2-CG1 3.93Å; K189-V289 WeakPolarHBondContact O-CA 3.35Å; I190-V289 HydrophobicContact CG1-CG2 4.18Å; I190-V289 HydrophobicContact CG2-CG2 4.22Å; V209-V289 HydrophobicContact CG1-CG2 4.09Å; I213-V289 HydrophobicContact CD1-CG1 3.9Å; I213-V289 HydrophobicContact CD1-CG2 4.03Å
290T98.3Very high97Very high44 Ų4443.3 Ų43.327%0.2725%0.249SC..EExtended strand (participates in β ladder)trans-122.2146.7172.462.70000110.1I188 K189I188-T290 WeakPolarHBondContact CA-O 3.24Å; K189-T290 PolarHBondContact N-O 3.35Å; K189-T290 PolarHBondContact O-N 3.24Å
291I98.1Very high96.9Very high21 Ų2142.6 Ų42.611%0.10824%0.238CC..EExtended strand (participates in β ladder)trans-126.1124174.2-65.7-171.4000108.3E187 I188 M274 I275 S278 F293E187-I291 VanDerWaalsContact O-CA 3.31Å; E187-I291 WeakPolarHBondContact O-CA 3.2Å; I188-I291 HydrophobicContact CB-CG1 4.25Å; I188-I291 HydrophobicContact CD1-CD1 3.92Å; I188-I291 HydrophobicContact CD1-CG1 4.44Å; I188-I291 HydrophobicContact CG1-CD1 3.93Å; I188-I291 HydrophobicContact CG1-CG1 3.91Å; I188-I291 HydrophobicContact CG2-CD1 4.27Å; I188-I291 HydrophobicContact CG2-CG1 3.95Å; M274-I291 HydrophobicContact CB-CD1 4.38Å; M274-I291 VanDerWaalsContact O-CD1 3.31Å; M274-I291 WeakPolarHBondContact O-CD1 2.88Å; I275-I291 HydrophobicContact CG1-CB 4.28Å; I275-I291 HydrophobicContact CG1-CG2 4.39Å; S278-I291 WeakPolarHBondContact OG-CD1 3.24Å; I291-F293 HydrophobicContact CG2-CD2 4.45Å; I291-F293 HydrophobicContact CG2-CE2 3.94Å; I291-F293 HydrophobicContact CG2-CZ 4.06Å
292D97.4Very high96.9Very high68 Ų6841.6 Ų41.636%0.36423%0.233SC..EExtended strand (participates in β ladder)trans-114.8127.1177-57.7-49.9000108.3F186 E187 K189 T294F186-D292 CarbonylContact C-O 3.57Å; F186-D292 VanDerWaalsContact CA-O 3.24Å; F186-D292 WeakPolarHBondContact CA-O 3.42Å; E187-D292 PolarHBondContact N-O 3.25Å; E187-D292 PolarHBondContact O-N 2.9Å; K189-D292 IonicContact NZ-OD2 2.73Å; K189-D292 PolarHBondContact NZ-OD2 3.32Å; D292-T294 HydrophobicContact CB-CG2 4.48Å
293F96.3Very high96.9Very high53 Ų5344.1 Ų44.123%0.23225%0.247CC..EExtended strand (participates in β ladder)trans-91.8102.9168.7-66-82.7000108D184 W185 F186 M259 K271 M274 I275 I291D184-F293 HydrophobicContact CB-CD1 4.1Å; W185-F293 CarbonylContact O-C 3.1Å; W185-F293 VanDerWaalsContact O-CA 3.3Å; W185-F293 WeakPolarHBondContact O-CA 3.47Å; F186-F293 HydrophobicContact CB-CD1 3.78Å; F186-F293 HydrophobicContact CB-CE1 3.9Å; M259-F293 HydrophobicContact SD-CE1 4.22Å; K271-F293 HydrophobicContact CB-CE1 4.15Å; K271-F293 HydrophobicContact CB-CE2 3.91Å; K271-F293 HydrophobicContact CB-CZ 3.6Å; K271-F293 HydrophobicContact CD-CD1 4.36Å; K271-F293 HydrophobicContact CD-CE1 4.29Å; K271-F293 HydrophobicContact CD-CZ 4.47Å; K271-F293 VanDerWaalsContact CE-CG 3.42Å; K271-F293 HydrophobicContact CG-CD1 4.2Å; K271-F293 HydrophobicContact CG-CE1 3.65Å; K271-F293 HydrophobicContact CG-CE2 4.21Å; K271-F293 HydrophobicContact CG-CZ 3.66Å; M274-F293 HydrophobicContact CB-CZ 4.47Å; M274-F293 HydrophobicContact CE-CE1 4.34Å; M274-F293 HydrophobicContact CE-CZ 4.49Å; M274-F293 HydrophobicContact SD-CE1 4.19Å; M274-F293 HydrophobicContact SD-CZ 4.24Å; I275-F293 HydrophobicContact CD1-CE2 3.99Å; I275-F293 HydrophobicContact CG1-CE2 4.11Å; I291-F293 HydrophobicContact CG2-CD2 4.45Å; I291-F293 HydrophobicContact CG2-CE2 3.94Å; I291-F293 HydrophobicContact CG2-CZ 4.06Å
294T92.4Very high96.9Very high61 Ų6143.9 Ų43.937%0.37425%0.246SC..EExtended strand (participates in β ladder)trans-82.3-41.5-165.853.40000112.8W185 E187 D292W185-T294 PolarHBondContact O-N 3.17Å; E187-T294 HydrophobicContact CG-CG2 3.78Å; D292-T294 HydrophobicContact CB-CG2 4.48Å
295N92.4Very high96.9Very high31 Ų3143.6 Ų43.617%0.16624%0.236CC..EExtended strand (participates in β ladder)trans-141159.9-177.7-64.859.3000109.4I134 Q136 D184 W185I134-N295 PolarHBondContact O-ND2 3.18Å; Q136-N295 PolarHBondContact NE2-ND2 2.83Å; D184-N295 WeakPolarHBondContact CA-O 3.33Å; W185-N295 HydrophobicContact CB-CB 4.14Å; W185-N295 HydrophobicContact CD2-CB 4.13Å; W185-N295 HydrophobicContact CE3-CB 4.35Å; W185-N295 HydrophobicContact CG-CB 4.06Å; W185-N295 PolarHBondContact N-O 3.05Å
296G94.1Very high96.9Very high3 Ų339.5 Ų39.53%0.03122%0.219CC..EExtended strand (participates in β ladder)trans161.4159.5173.600000114K139 A183K139-G296 PolarHBondContact NZ-O 3.39Å; A183-G296 CarbonylContact O-C 3.51Å; A183-G296 WeakPolarHBondContact O-CA 3.33Å
297C95.7Very high97Very high0 Ų037.9 Ų37.90%020%0.199CC..EExtended strand (participates in β ladder)trans-131.3156.1176.964.20000111L135 S182 A183 R267 D337 E340L135-C297 HydrophobicContact CB-CB 4.44Å; L135-C297 HydrophobicContact CD2-CB 4.41Å; S182-C297 WeakPolarHBondContact CA-O 3.08Å; S182-C297 WeakPolarHBondContact CB-O 3.46Å; A183-C297 PolarHBondContact N-O 2.89Å; A183-C297 PolarHBondContact O-N 2.99Å; R267-C297 PolarHBondContact NH2-O 3.42Å; C297-D337 HydrophobicContact CB-CB 3.91Å; C297-E340 VanDerWaalsContact CA-OE1 3.29Å; C297-E340 WeakPolarHBondContact CA-OE1 3.21Å; C297-E340 HydrophobicContact CB-CG 4.1Å
298C95.4Very high96.9Very high16 Ų1642.9 Ų42.911%0.10822%0.216CC..  trans-63.3167.7165.9-62.30000112.1R267 E340R267-C298 PolarHBondContact NH1-SG 3.31Å; R267-C298 VanDerWaalsContact NH1-SG 3.39Å; C298-E340 PolarHBondContact N-OE1 3.25Å
299S95.9Very high96.9Very high1 Ų137.6 Ų37.61%0.00719%0.193CC..  trans-60.1153.6169.2530000111.4M180 E301 G339 H343M180-S299 WeakPolarHBondContact O-CA 3.48Å; M180-S299 WeakPolarHBondContact O-CB 3.35Å; S299-E301 WeakPolarHBondContact CB-OE1 3.4Å; S299-E301 PolarHBondContact OG-OE1 3.44Å; S299-G339 VanDerWaalsContact O-CA 3.24Å; S299-G339 WeakPolarHBondContact O-CA 3.5Å; S299-H343 PolarHBondContact O-CD2 2.7Å; S299-H343 PolarHBondContact O-NE2 2.93Å; S299-H343 VanDerWaalsContact O-NE2 3.1Å; S299-H343 PolarHBondContact OG-NE2 2.96Å
300N97Very high96.9Very high0 Ų037 Ų370%019%0.19CC..EExtended strand (participates in β ladder)trans-84.1114.1169.6-176.3-119.8000109.6F179 M180 T349F179-N300 PolarHBondContact N-O 3Å; M180-N300 HydrophobicContact CB-CB 3.8Å; M180-N300 HydrophobicContact CG-CB 4.25Å; M180-N300 PolarHBondContact N-O 2.81Å; M180-N300 PolarHBondContact O-N 2.79Å; N300-T349 PolarHBondContact OD1-OG1 3.1Å
301E97.2Very high96.9Very high49 Ų4937.5 Ų37.523%0.22919%0.188CC..EExtended strand (participates in β ladder)trans-103.4136.3-178.9-63.2-59.9142.800110.9T178 S299 S342 H343 T347T178-E301 VanDerWaalsContact CA-OE2 3.31Å; T178-E301 WeakPolarHBondContact CA-OE2 3.35Å; T178-E301 WeakPolarHBondContact CB-OE1 3.36Å; T178-E301 WeakPolarHBondContact CG2-OE1 3.33Å; T178-E301 PolarHBondContact N-OE2 3Å; T178-E301 VanDerWaalsContact N-OE2 3.12Å; T178-E301 VanDerWaalsContact OG1-CD 3.3Å; T178-E301 PolarHBondContact OG1-OE1 3.13Å; T178-E301 PolarHBondContact OG1-OE2 3.28Å; T178-E301 VanDerWaalsContact OG1-OE2 3.09Å; S299-E301 WeakPolarHBondContact CB-OE1 3.4Å; S299-E301 PolarHBondContact OG-OE1 3.44Å; E301-S342 PolarHBondContact N-OG 2.7Å; E301-S342 VanDerWaalsContact O-CB 3.3Å; E301-S342 WeakPolarHBondContact O-CB 3.38Å; E301-H343 WeakPolarHBondContact CG-NE2 3.24Å; E301-T347 PolarHBondContact O-OG1 3.33Å
302I98.3Very high96.9Very high8 Ų841.1 Ų41.14%0.04121%0.205CC..EExtended strand (participates in β ladder)trans-110118.8-178.8-53.4-60.8000109.3A174 P175 A176 G177 F179 T307A174-I302 HydrophobicContact CB-CD1 3.87Å; A174-I302 HydrophobicContact CB-CG1 3.85Å; P175-I302 VanDerWaalsContact O-CB 3.29Å; P175-I302 WeakPolarHBondContact O-CB 3.16Å; P175-I302 WeakPolarHBondContact O-CG2 3.43Å; A176-I302 WeakPolarHBondContact CA-O 3.5Å; G177-I302 PolarHBondContact N-O 2.82Å; G177-I302 WeakPolarHBondContact O-CB 3Å; G177-I302 PolarHBondContact O-N 3.16Å; F179-I302 HydrophobicContact CB-CD1 4.05Å; F179-I302 HydrophobicContact CB-CG1 3.46Å; F179-I302 VanDerWaalsContact CB-CG1 3.46Å; F179-I302 HydrophobicContact CD1-CD1 4.47Å; F179-I302 HydrophobicContact CG-CD1 4.48Å; F179-I302 HydrophobicContact CG-CG1 4.16Å; I302-T307 HydrophobicContact CG2-CG2 3.99Å
303D98.6Very high96.9Very high54 Ų5438.3 Ų38.329%0.28919%0.192SC..  trans-72.5133.3175.5178.2-94.8000110.9T305 V306 T307 P346 T347D303-T305 VanDerWaalsContact C-N 3.32Å; D303-T305 PolarHBondContact O-N 2.9Å; D303-T305 WeakPolarHBondContact OD1-CA 3.27Å; D303-T305 VanDerWaalsContact OD1-CB 3.3Å; D303-T305 WeakPolarHBondContact OD1-CB 3.4Å; D303-T305 PolarHBondContact OD1-N 2.97Å; D303-V306 HydrophobicContact CB-CB 4.21Å; D303-V306 HydrophobicContact CB-CG2 4.13Å; D303-V306 PolarHBondContact OD1-N 3.29Å; D303-T307 WeakPolarHBondContact O-CB 3.44Å; D303-T307 WeakPolarHBondContact O-CG2 3.25Å; D303-T307 PolarHBondContact O-N 2.59Å; D303-P346 HydrophobicContact CB-CB 3.78Å; D303-T347 PolarHBondContact N-O 3.36Å
304Q98.4Very high97Very high147 Ų14735.8 Ų35.869%0.68718%0.181SC*.Hα-helixtrans-63.1-36.3-176.6-174.7178.114.900113.2A176 R308A176-Q304 HydrophobicContact CB-CB 3.89Å; A176-Q304 HydrophobicContact CB-CG 4.2Å; Q304-R308 VanDerWaalsContact O-CB 3.29Å; Q304-R308 WeakPolarHBondContact O-CB 3.39Å; Q304-R308 PolarHBondContact O-N 3.42Å
305T98.3Very high97.3Very high75 Ų7535.7 Ų35.746%0.4618%0.176SC..Hα-helixtrans-77.4-48.2-177.7-56.80000110.3D303 R308 V309D303-T305 VanDerWaalsContact C-N 3.32Å; D303-T305 PolarHBondContact O-N 2.9Å; D303-T305 WeakPolarHBondContact OD1-CA 3.27Å; D303-T305 VanDerWaalsContact OD1-CB 3.3Å; D303-T305 WeakPolarHBondContact OD1-CB 3.4Å; D303-T305 PolarHBondContact OD1-N 2.97Å; T305-R308 PolarHBondContact O-N 3.4Å; T305-V309 HydrophobicContact CG2-CG2 4.47Å; T305-V309 WeakPolarHBondContact O-CG2 3.47Å; T305-V309 PolarHBondContact O-N 2.8Å
306V98.5Very high97.5Very high7 Ų742 Ų424%0.04220%0.202CC..Hα-helixtrans-62-47.9-179.2-179.80000110.6F68 A154 D303 R308 V309 V310 P346 T348F68-V306 HydrophobicContact CE2-CG1 4.11Å; F68-V306 HydrophobicContact CZ-CG1 4.42Å; A154-V306 HydrophobicContact CB-CG2 3.7Å; D303-V306 HydrophobicContact CB-CB 4.21Å; D303-V306 HydrophobicContact CB-CG2 4.13Å; D303-V306 PolarHBondContact OD1-N 3.29Å; V306-R308 VanDerWaalsContact C-N 3.32Å; V306-R308 PolarHBondContact O-N 3.37Å; V306-V309 PolarHBondContact O-N 3Å; V306-V310 HydrophobicContact CG1-CG2 4.28Å; V306-V310 WeakPolarHBondContact O-CB 3.41Å; V306-V310 WeakPolarHBondContact O-CG2 3.42Å; V306-V310 PolarHBondContact O-N 3.46Å; V306-P346 HydrophobicContact CG2-CB 3.53Å; V306-T348 HydrophobicContact CG1-CG2 3.89Å
307T98.3Very high97.7Very high14 Ų1445 Ų459%0.08622%0.22CC..Hα-helixtrans-61.5-41.1179.6-169.90000112.6V173 A174 A176 I302 D303 K311 T348V173-T307 WeakPolarHBondContact CG1-OG1 3.47Å; A174-T307 PolarHBondContact O-OG1 3.12Å; A176-T307 HydrophobicContact CB-CG2 4.26Å; I302-T307 HydrophobicContact CG2-CG2 3.99Å; D303-T307 WeakPolarHBondContact O-CB 3.44Å; D303-T307 WeakPolarHBondContact O-CG2 3.25Å; D303-T307 PolarHBondContact O-N 2.59Å; T307-K311 VanDerWaalsContact O-CB 3.22Å; T307-K311 WeakPolarHBondContact O-CB 2.78Å; T307-K311 PolarHBondContact O-N 3.16Å; T307-T348 WeakPolarHBondContact CB-OG1 3.47Å; T307-T348 PolarHBondContact OG1-OG1 3.41Å
308R98.1Very high97.8Very high114 Ų11446.6 Ų46.643%0.4323%0.227SC..Hα-helixtrans-63.2-49.1178.3-177.3-169.158.167.26.2111.2Q304 T305 V306 K311 E312Q304-R308 VanDerWaalsContact O-CB 3.29Å; Q304-R308 WeakPolarHBondContact O-CB 3.39Å; Q304-R308 PolarHBondContact O-N 3.42Å; T305-R308 PolarHBondContact O-N 3.4Å; V306-R308 VanDerWaalsContact C-N 3.32Å; V306-R308 PolarHBondContact O-N 3.37Å; R308-K311 PolarHBondContact O-N 2.69Å; R308-E312 WeakPolarHBondContact CD-OE1 3.27Å; R308-E312 HydrophobicContact CG-CG 4.5Å; R308-E312 WeakPolarHBondContact CG-OE1 3.46Å; R308-E312 IonicContact CZ-OE1 3.3Å; R308-E312 IonicContact NH1-OE1 3.87Å; R308-E312 PolarHBondContact NH1-OE1 3.48Å; R308-E312 IonicContact NH1-OE2 3.9Å; R308-E312 PolarHBondContact NH1-OE2 2.85Å; R308-E312 WeakPolarHBondContact O-CB 3.24Å; R308-E312 VanDerWaalsContact O-CG 3.31Å; R308-E312 WeakPolarHBondContact O-CG 3.48Å; R308-E312 PolarHBondContact O-N 2.88Å
309V98.3Very high97.8Very high11 Ų1150.2 Ų50.27%0.06725%0.25CS..Hα-helixtrans-62.1-46.6-179.7169.30000111.3T305 V306 K311 E312 G313 A386T305-V309 HydrophobicContact CG2-CG2 4.47Å; T305-V309 WeakPolarHBondContact O-CG2 3.47Å; T305-V309 PolarHBondContact O-N 2.8Å; V306-V309 PolarHBondContact O-N 3Å; V309-K311 PolarHBondContact O-N 2.74Å; V309-E312 PolarHBondContact O-N 3.38Å; V309-G313 PolarHBondContact O-N 2.81Å; V309-A386 HydrophobicContact CG1-CB 4.09Å; V309-A386 VanDerWaalsContact CG1-O 3.22Å; V309-A386 WeakPolarHBondContact CG1-O 2.86Å
310V98.4Very high97.8Very high0 Ų055.4 Ų55.40%029%0.286CS..Hα-helixtrans-62.6-44.2178.1169.40000110.9F68 V173 V306 G313 L314 T348 M350 A383F68-V310 HydrophobicContact CZ-CG2 4.31Å; V173-V310 HydrophobicContact CG1-CG1 4.39Å; V306-V310 HydrophobicContact CG1-CG2 4.28Å; V306-V310 WeakPolarHBondContact O-CB 3.41Å; V306-V310 WeakPolarHBondContact O-CG2 3.42Å; V306-V310 PolarHBondContact O-N 3.46Å; V310-G313 PolarHBondContact O-N 3.13Å; V310-L314 HydrophobicContact CG1-CD1 3.79Å; V310-L314 HydrophobicContact CG1-CG 4.37Å; V310-L314 WeakPolarHBondContact O-CB 3.45Å; V310-L314 VanDerWaalsContact O-CG 3.27Å; V310-L314 WeakPolarHBondContact O-CG 3.25Å; V310-L314 PolarHBondContact O-N 3.34Å; V310-T348 HydrophobicContact CB-CG2 4.06Å; V310-T348 HydrophobicContact CG1-CG2 4.13Å; V310-T348 HydrophobicContact CG2-CG2 3.84Å; V310-M350 HydrophobicContact CG1-CE 4.37Å; V310-M350 HydrophobicContact CG1-CG 4.4Å; V310-M350 HydrophobicContact CG1-SD 3.62Å; V310-A383 HydrophobicContact CG1-CB 3.82Å; V310-A383 HydrophobicContact CG2-CB 4.2Å
311K98.2Very high97.9Very high54 Ų5457.4 Ų57.424%0.23530%0.297CS..Hα-helixtrans-61.5-46.8177.4-174.4173.1171.91750111.8V173 T307 R308 V309 G313 L314 E315 V322V173-K311 HydrophobicContact CB-CB 4.21Å; V173-K311 HydrophobicContact CB-CG 4.45Å; V173-K311 HydrophobicContact CG1-CB 4.21Å; V173-K311 HydrophobicContact CG2-CB 4.2Å; V173-K311 HydrophobicContact CG2-CG 4.36Å; T307-K311 VanDerWaalsContact O-CB 3.22Å; T307-K311 WeakPolarHBondContact O-CB 2.78Å; T307-K311 PolarHBondContact O-N 3.16Å; R308-K311 PolarHBondContact O-N 2.69Å; V309-K311 PolarHBondContact O-N 2.74Å; K311-G313 PolarHBondContact O-N 3.03Å; K311-L314 PolarHBondContact O-N 3.01Å; K311-E315 WeakPolarHBondContact CE-OE1 3.33Å; K311-E315 HydrophobicContact CG-CG 4.36Å; K311-E315 IonicContact NZ-OE1 2.98Å; K311-E315 WeakPolarHBondContact O-CB 3.18Å; K311-E315 VanDerWaalsContact O-CG 3.28Å; K311-E315 WeakPolarHBondContact O-CG 3.3Å; K311-E315 PolarHBondContact O-N 3.09Å; K311-V322 HydrophobicContact CG-CG1 4.23Å
312E97.9Very high97.9Very high98 Ų9855.5 Ų55.546%0.45829%0.289SS..Hα-helixtrans-61.5-41.9178.3-74.3169.3-170.700112.4R308 V309 E315 K316R308-E312 WeakPolarHBondContact CD-OE1 3.27Å; R308-E312 HydrophobicContact CG-CG 4.5Å; R308-E312 WeakPolarHBondContact CG-OE1 3.46Å; R308-E312 IonicContact CZ-OE1 3.3Å; R308-E312 IonicContact NH1-OE1 3.87Å; R308-E312 PolarHBondContact NH1-OE1 3.48Å; R308-E312 IonicContact NH1-OE2 3.9Å; R308-E312 PolarHBondContact NH1-OE2 2.85Å; R308-E312 WeakPolarHBondContact O-CB 3.24Å; R308-E312 VanDerWaalsContact O-CG 3.31Å; R308-E312 WeakPolarHBondContact O-CG 3.48Å; R308-E312 PolarHBondContact O-N 2.88Å; V309-E312 PolarHBondContact O-N 3.38Å; E312-E315 PolarHBondContact O-N 3.49Å; E312-K316 PolarHBondContact O-N 3.45Å; E312-K316 VanDerWaalsContact O-N 3.16Å
313G97.9Very high97.9Very high9 Ų956.5 Ų56.59%0.09329%0.294CS..Hα-helixtrans-62.3-48.8175.300000112.2V309 V310 K311 E315 K316 V317V309-G313 PolarHBondContact O-N 2.81Å; V310-G313 PolarHBondContact O-N 3.13Å; K311-G313 PolarHBondContact O-N 3.03Å; G313-E315 VanDerWaalsContact C-N 3.35Å; G313-E315 PolarHBondContact O-N 3.26Å; G313-K316 WeakPolarHBondContact O-CB 3.42Å; G313-K316 PolarHBondContact O-N 3.35Å; G313-V317 PolarHBondContact O-N 3.27Å
314L98.5Very high97.6Very high0 Ų059.9 Ų59.90%031%0.308CS..Hα-helixtrans-64-37177.5-67.7173000112.9V171 V173 V310 K311 K316 V317 F318 V322 M350 V379 E382V171-L314 HydrophobicContact CG1-CD1 4.19Å; V173-L314 HydrophobicContact CG2-CD1 3.84Å; V310-L314 HydrophobicContact CG1-CD1 3.79Å; V310-L314 HydrophobicContact CG1-CG 4.37Å; V310-L314 WeakPolarHBondContact O-CB 3.45Å; V310-L314 VanDerWaalsContact O-CG 3.27Å; V310-L314 WeakPolarHBondContact O-CG 3.25Å; V310-L314 PolarHBondContact O-N 3.34Å; K311-L314 PolarHBondContact O-N 3.01Å; L314-K316 VanDerWaalsContact C-N 3.29Å; L314-K316 PolarHBondContact O-N 3.39Å; L314-V317 PolarHBondContact O-N 3.07Å; L314-F318 HydrophobicContact CD2-CD2 3.93Å; L314-F318 HydrophobicContact CD2-CE2 4.07Å; L314-F318 CarbonylContact O-C 3.53Å; L314-F318 WeakPolarHBondContact O-CA 3.22Å; L314-F318 PolarHBondContact O-N 3.01Å; L314-V322 HydrophobicContact CB-CG2 3.64Å; L314-M350 HydrophobicContact CD1-SD 3.62Å; L314-V379 HydrophobicContact CD1-CG1 4.13Å; L314-V379 HydrophobicContact CD2-CB 4.27Å; L314-V379 HydrophobicContact CD2-CG1 3.84Å; L314-V379 HydrophobicContact CD2-CG2 4.34Å; L314-E382 HydrophobicContact CD2-CB 3.83Å; L314-E382 HydrophobicContact CD2-CG 3.82Å; L314-E382 HydrophobicContact CG-CG 4.45Å
315E97.9Very high97.3Very high58 Ų5861 Ų6127%0.27131%0.313SS..Hα-helixtrans-65.7-32.9176.6-77.9175.8163.200112.3K311 E312 G313 P319 V322 Q324K311-E315 WeakPolarHBondContact CE-OE1 3.33Å; K311-E315 HydrophobicContact CG-CG 4.36Å; K311-E315 IonicContact NZ-OE1 2.98Å; K311-E315 WeakPolarHBondContact O-CB 3.18Å; K311-E315 VanDerWaalsContact O-CG 3.28Å; K311-E315 WeakPolarHBondContact O-CG 3.3Å; K311-E315 PolarHBondContact O-N 3.09Å; E312-E315 PolarHBondContact O-N 3.49Å; G313-E315 VanDerWaalsContact C-N 3.35Å; G313-E315 PolarHBondContact O-N 3.26Å; E315-P319 VanDerWaalsContact O-CA 3.25Å; E315-P319 WeakPolarHBondContact O-CA 3.44Å; E315-P319 WeakPolarHBondContact O-CB 3.05Å; E315-V322 HydrophobicContact CG-CB 3.88Å; E315-V322 HydrophobicContact CG-CG1 3.8Å; E315-V322 HydrophobicContact CG-CG2 4.17Å; E315-Q324 PolarHBondContact OE1-NE2 2.82Å; E315-Q324 PolarHBondContact OE1-OE1 3.44Å
316K97.4Very high97Very high163 Ų16359.5 Ų59.571%0.70931%0.309SS*.Hα-helixtrans-67.8-39.9176.3-179.2-173.9172-165.50111.9E312 G313 L314E312-K316 PolarHBondContact O-N 3.45Å; E312-K316 VanDerWaalsContact O-N 3.16Å; G313-K316 WeakPolarHBondContact O-CB 3.42Å; G313-K316 PolarHBondContact O-N 3.35Å; L314-K316 VanDerWaalsContact C-N 3.29Å; L314-K316 PolarHBondContact O-N 3.39Å
317V97.6Very high96.7Very high67 Ų6761.4 Ų61.441%0.40632%0.321SS..Hα-helixtrans-93-35.4-174.8-177.90000112.8G313 L314 P319 E382G313-V317 PolarHBondContact O-N 3.27Å; L314-V317 PolarHBondContact O-N 3.07Å; V317-P319 WeakPolarHBondContact O-CD 3.32Å; V317-E382 HydrophobicContact CB-CG 4.24Å; V317-E382 HydrophobicContact CG2-CG 4Å; V317-E382 WeakPolarHBondContact CG2-OE1 3.42Å; V317-E382 WeakPolarHBondContact CG2-OE2 3.49Å
318F97.6Very high96.3Very high33 Ų3362.6 Ų62.615%0.14533%0.327CS..  trans-12657-177.4-47.6-70000112.5L314 S320 N321 V322 F375 N378 V379 E382L314-F318 HydrophobicContact CD2-CD2 3.93Å; L314-F318 HydrophobicContact CD2-CE2 4.07Å; L314-F318 CarbonylContact O-C 3.53Å; L314-F318 WeakPolarHBondContact O-CA 3.22Å; L314-F318 PolarHBondContact O-N 3.01Å; F318-S320 PolarHBondContact O-N 2.95Å; F318-N321 HydrophobicContact CB-CB 3.9Å; F318-N321 PolarHBondContact O-N 3.41Å; F318-V322 PolarHBondContact O-N 2.99Å; F318-F375 HydrophobicContact CB-CE2 4.39Å; F318-F375 HydrophobicContact CD1-CD2 4.39Å; F318-F375 AromaticContact CD1-CE2 3.75Å; F318-F375 HydrophobicContact CD1-CE2 3.75Å; F318-F375 HydrophobicContact CD2-CE2 4.48Å; F318-F375 HydrophobicContact CE1-CD2 4.38Å; F318-F375 HydrophobicContact CE1-CE2 4.12Å; F318-F375 AromaticContact CG-CE2 3.96Å; F318-F375 HydrophobicContact CG-CE2 3.96Å; F318-N378 HydrophobicContact CZ-CB 3.85Å; F318-V379 HydrophobicContact CE2-CG2 4.35Å; F318-E382 HydrophobicContact CE2-CB 4.19Å; F318-E382 HydrophobicContact CE2-CG 4.46Å
319P96Very high95.9Very high92 Ų9261.2 Ų61.260%0.59734%0.34SS*.THydrogen-bonded Turntrans-59.2-28.6-171.722.8-34.7000114.1E315 V317E315-P319 VanDerWaalsContact O-CA 3.25Å; E315-P319 WeakPolarHBondContact O-CA 3.44Å; E315-P319 WeakPolarHBondContact O-CB 3.05Å; V317-P319 WeakPolarHBondContact O-CD 3.32Å
320S96.5Very high95.5Very high110 Ų11063.2 Ų63.277%0.76935%0.352SS*.THydrogen-bonded Turntrans-88.6-4.5-179.8-54.80000113.9F318F318-S320 PolarHBondContact O-N 2.95Å
321N98.1Very high95.1Very high42 Ų4264.6 Ų64.623%0.22536%0.361CS..THydrogen-bonded Turntrans-112.8-25.1-173.3-64.688.9000112.8K169 N170 V171 F318 L323 F375K169-N321 WeakPolarHBondContact O-CB 3.45Å; K169-N321 PolarHBondContact O-ND2 3.34Å; N170-N321 CarbonylContact C-O 3.53Å; N170-N321 VanDerWaalsContact CA-O 3.3Å; N170-N321 WeakPolarHBondContact CA-O 3.11Å; N170-N321 PolarHBondContact OD1-O 2.76Å; V171-N321 PolarHBondContact N-O 3.38Å; F318-N321 HydrophobicContact CB-CB 3.9Å; F318-N321 PolarHBondContact O-N 3.41Å; N321-L323 PolarHBondContact O-N 3.27Å; N321-F375 HydrophobicContact CB-CE2 4.17Å; N321-F375 HydrophobicContact CB-CZ 3.79Å
322V98.1Very high94.7Very high9 Ų963.2 Ų63.26%0.05536%0.356CS..BIsolated β-bridgetrans-78.9121.1180-177.30000110.4V171 K311 L314 E315 F318V171-V322 WeakPolarHBondContact O-CA 3.42Å; K311-V322 HydrophobicContact CG-CG1 4.23Å; L314-V322 HydrophobicContact CB-CG2 3.64Å; E315-V322 HydrophobicContact CG-CB 3.88Å; E315-V322 HydrophobicContact CG-CG1 3.8Å; E315-V322 HydrophobicContact CG-CG2 4.17Å; F318-V322 PolarHBondContact O-N 2.99Å
323L96.8Very high94Very high30 Ų3063 Ų6316%0.15736%0.36CS..  trans-73.5133.2178.2-66.2180000111.9L166 N170 V171 F172 N321 P327L166-L323 HydrophobicContact CD1-CD1 4.11Å; L166-L323 HydrophobicContact CD1-CD2 4Å; L166-L323 HydrophobicContact CD2-CD1 3.71Å; N170-L323 HydrophobicContact CB-CD1 4.13Å; N170-L323 HydrophobicContact CB-CD2 4.1Å; N170-L323 HydrophobicContact CB-CG 4.03Å; V171-L323 PolarHBondContact O-N 2.92Å; F172-L323 HydrophobicContact CB-CD1 4.17Å; N321-L323 PolarHBondContact O-N 3.27Å; L323-P327 HydrophobicContact CD1-CB 4.12Å; L323-P327 HydrophobicContact CD1-CG 3.8Å
324Q93.9Very high93.4Very high125 Ų12564 Ų6458%0.58437%0.372SS*.SBendtrans-84.1-28.3177.4-62.3-54.2-4100112.5E315E315-Q324 PolarHBondContact OE1-NE2 2.82Å; E315-Q324 PolarHBondContact OE1-OE1 3.44Å
325E92.1Very high93Very high169 Ų16965.4 Ų65.479%0.7938%0.381SS*.SBendtrans-119.6150.8178.9-63.2-177.9178.400110.1P327E325-P327 WeakPolarHBondContact O-CD 3.39Å
326A91.8Very high92.9Very high44 Ų4462.7 Ų62.736%0.36437%0.369SS..  trans-67.5126.3177.100000110.2F172 L328 V330F172-A326 HydrophobicContact CD2-CB 4.5Å; F172-A326 HydrophobicContact CE1-CB 4.41Å; F172-A326 VanDerWaalsContact CE2-CA 3.44Å; F172-A326 HydrophobicContact CE2-CB 3.6Å; F172-A326 HydrophobicContact CZ-CB 3.53Å; A326-L328 WeakPolarHBondContact CB-O 3.48Å; A326-L328 PolarHBondContact O-N 3.34Å; A326-L328 VanDerWaalsContact O-N 3.11Å; A326-V330 HydrophobicContact CB-CG1 4.2Å
327P91.7Very high92.9Very high48 Ų4855 Ų5531%0.31234%0.335SS..SBendtrans-74.84.8176.831.4-35.3000113.1F163 L166 F172 L323 E325F163-P327 HydrophobicContact CD1-CB 4.07Å; F163-P327 HydrophobicContact CD1-CG 4.18Å; F163-P327 HydrophobicContact CD2-CG 4.43Å; F163-P327 HydrophobicContact CE1-CB 4.12Å; F163-P327 HydrophobicContact CE1-CG 3.79Å; F163-P327 HydrophobicContact CE2-CG 4.01Å; F163-P327 HydrophobicContact CG-CB 4.42Å; F163-P327 HydrophobicContact CZ-CB 4.47Å; F163-P327 HydrophobicContact CZ-CG 3.7Å; L166-P327 HydrophobicContact CD2-CB 3.86Å; L166-P327 HydrophobicContact CD2-CG 4.22Å; F172-P327 HydrophobicContact CB-CG 4.21Å; F172-P327 HydrophobicContact CG-CG 4.27Å; L323-P327 HydrophobicContact CD1-CB 4.12Å; L323-P327 HydrophobicContact CD1-CG 3.8Å; E325-P327 WeakPolarHBondContact O-CD 3.39Å
328L89.7Confident92.9Very high39 Ų3951.9 Ų51.920%0.20432%0.316CS..SBendtrans-149.2164.2-177.367.7154.7000111.2F163 F172 A326 V330 M332 F351F163-L328 HydrophobicContact CE1-CB 4.28Å; F163-L328 HydrophobicContact CE1-CD2 3.83Å; F163-L328 HydrophobicContact CZ-CD2 3.84Å; F172-L328 HydrophobicContact CD1-CD2 4.05Å; F172-L328 HydrophobicContact CE1-CD2 3.92Å; A326-L328 WeakPolarHBondContact CB-O 3.48Å; A326-L328 PolarHBondContact O-N 3.34Å; A326-L328 VanDerWaalsContact O-N 3.11Å; L328-V330 HydrophobicContact CG-CG1 4.45Å; L328-V330 PolarHBondContact O-N 2.78Å; L328-M332 HydrophobicContact CD1-CE 3.82Å; L328-M332 HydrophobicContact CD1-CG 3.41Å; L328-M332 VanDerWaalsContact CD1-CG 3.41Å; L328-M332 HydrophobicContact CD1-SD 3.45Å; L328-M332 WeakPolarHBondContact CD1-SD 3.31Å; L328-F351 HydrophobicContact CD1-CE2 4.47Å; L328-F351 HydrophobicContact CD2-CD2 4.46Å
329A90Very high92.9Very high84 Ų8450.3 Ų50.369%0.69431%0.309SS*.  trans-71.1124.3172.100000110.7
330V88.9Confident93Very high53 Ų5346.3 Ų46.332%0.32128%0.283SS..SBendtrans-108.6147.9175.3-61.60000110.6F172 P175 F179 A326 L328F172-V330 HydrophobicContact CE1-CG1 4.49Å; F172-V330 HydrophobicContact CZ-CG1 4.28Å; P175-V330 HydrophobicContact CG-CG2 4.34Å; F179-V330 HydrophobicContact CD2-CG1 4.16Å; F179-V330 HydrophobicContact CE2-CG1 3.66Å; A326-V330 HydrophobicContact CB-CG1 4.2Å; L328-V330 HydrophobicContact CG-CG1 4.45Å; L328-V330 PolarHBondContact O-N 2.78Å
331P90.7Very high93.1Very high30 Ų3041.1 Ų41.120%0.19525%0.246CC..SBendcis-70.3155.2-9.229.9-34.7000112.6T178 F179 R230 L262T178-P331 WeakPolarHBondContact O-CB 3.26Å; F179-P331 CarbonylContact O-C 3.52Å; F179-P331 WeakPolarHBondContact O-CA 2.98Å; F179-P331 WeakPolarHBondContact O-CB 3.12Å; R230-P331 PolarHBondContact NH1-O 3.02Å; R230-P331 VanDerWaalsContact NH1-O 3.1Å; L262-P331 HydrophobicContact CD1-CB 4.38Å; L262-P331 HydrophobicContact CD1-CG 3.4Å; L262-P331 HydrophobicContact CD2-CB 3.79Å; L262-P331 HydrophobicContact CD2-CG 3.72Å; L262-P331 HydrophobicContact CG-CG 4.2Å
332M89Confident93.1Very high25 Ų2539.7 Ų39.712%0.12324%0.239CC..BIsolated β-bridgetrans-76.6150.3175.6-65.2177.676.900111.6F161 F179 M180 A181 L328 F351F161-M332 HydrophobicContact CE2-CE 3.96Å; F161-M332 HydrophobicContact CZ-CE 4.04Å; F179-M332 HydrophobicContact CE1-SD 4.3Å; F179-M332 HydrophobicContact CZ-SD 4.09Å; F179-M332 PolarHBondContact O-N 3.43Å; M180-M332 HydrophobicContact CE-SD 4.38Å; M180-M332 HydrophobicContact CG-CB 4.18Å; M180-M332 HydrophobicContact CG-SD 4.25Å; M180-M332 HydrophobicContact SD-SD 4.45Å; A181-M332 PolarHBondContact N-O 2.87Å; L328-M332 HydrophobicContact CD1-CE 3.82Å; L328-M332 HydrophobicContact CD1-CG 3.41Å; L328-M332 VanDerWaalsContact CD1-CG 3.41Å; L328-M332 HydrophobicContact CD1-SD 3.45Å; L328-M332 WeakPolarHBondContact CD1-SD 3.31Å; M332-F351 HydrophobicContact CE-CE2 4.05Å; M332-F351 HydrophobicContact CE-CZ 4.23Å; M332-F351 HydrophobicContact SD-CE2 3.43Å; M332-F351 WeakPolarHBondContact SD-CE2 3.46Å; M332-F351 HydrophobicContact SD-CZ 3.61Å
333V82.9Confident93Very high92 Ų9243.1 Ų43.156%0.55826%0.255SS*.SBendtrans-93.5-8.7174.3-63.30000113.4
334G86.2Confident93.1Very high32 Ų3247.8 Ų47.833%0.3327%0.27SS..SBendtrans-64.4157.4164.800000110.7A181A181-G334 PolarHBondContact N-O 2.7Å; A181-G334 VanDerWaalsContact N-O 3.08Å
335S90.9Very high93.3Very high28 Ų2842.4 Ų42.420%0.19625%0.245CC..  trans-110.9153.9176.350.30000110.2A181 R260A181-S335 WeakPolarHBondContact O-CA 3.32Å; A181-S335 WeakPolarHBondContact O-CB 3.16Å; R260-S335 PolarHBondContact NH2-OG 2.85Å
336E95.4Very high93.6Very high2 Ų237 Ų371%0.00923%0.225CC..  trans-145.1123.2178160.163.2-114.500107.2R71 E132 M157 M180 F338 G339R71-E336 IonicContact CZ-OE1 2.65Å; R71-E336 VanDerWaalsContact CZ-OE1 3.3Å; R71-E336 IonicContact NH1-OE1 2.73Å; R71-E336 PolarHBondContact NH1-OE1 3.33Å; R71-E336 IonicContact NH1-OE2 3.79Å; R71-E336 PolarHBondContact NH1-OE2 2.65Å; R71-E336 IonicContact NH2-OE1 3.39Å; R71-E336 PolarHBondContact NH2-OE1 3.32Å; E132-E336 WeakPolarHBondContact OE1-CA 3.34Å; M157-E336 HydrophobicContact CE-CG 3.48Å; M157-E336 VanDerWaalsContact CE-CG 3.48Å; M157-E336 VanDerWaalsContact CE-OE2 3.23Å; M157-E336 WeakPolarHBondContact CE-OE2 3.4Å; M180-E336 HydrophobicContact CE-CB 3.73Å; M180-E336 HydrophobicContact SD-CB 3.6Å; M180-E336 VanDerWaalsContact SD-CB 3.6Å; M180-E336 HydrophobicContact SD-CG 4.35Å; E336-F338 HydrophobicContact CG-CB 3.72Å; E336-F338 PolarHBondContact O-N 3.39Å; E336-F338 VanDerWaalsContact OE1-CB 3.27Å; E336-F338 WeakPolarHBondContact OE1-CB 3.36Å; E336-F338 PolarHBondContact OE1-N 2.85Å; E336-G339 PolarHBondContact O-N 2.83Å
337D97Very high94Very high2 Ų234.9 Ų34.91%0.01121%0.208CC..THydrogen-bonded Turntrans-73.7-12.8-174.691.3-16.8000114.5R71 Q129 E132 L135 G137 A138 C297 G339 E340R71-D337 IonicContact NH2-OD1 3.53Å; R71-D337 PolarHBondContact NH2-OD1 3.46Å; Q129-D337 VanDerWaalsContact NE2-CG 3.31Å; Q129-D337 PolarHBondContact NE2-OD1 3.23Å; Q129-D337 PolarHBondContact NE2-OD2 3.4Å; Q129-D337 VanDerWaalsContact NE2-OD2 3.11Å; Q129-D337 PolarHBondContact OE1-OD1 2.91Å; E132-D337 PolarHBondContact OE1-N 3.4Å; L135-D337 HydrophobicContact CB-CB 4.39Å; L135-D337 HydrophobicContact CD2-CB 3.92Å; G137-D337 PolarHBondContact N-OD2 3.2Å; A138-D337 HydrophobicContact CB-CB 4.24Å; A138-D337 WeakPolarHBondContact CB-O 3.35Å; A138-D337 WeakPolarHBondContact CB-OD2 3.37Å; A138-D337 PolarHBondContact N-OD2 2.97Å; C297-D337 HydrophobicContact CB-CB 3.91Å; D337-G339 PolarHBondContact O-N 3.42Å; D337-E340 WeakPolarHBondContact O-CB 3.37Å; D337-E340 PolarHBondContact O-N 2.96Å
338F98.2Very high94.3Very high0 Ų032.6 Ų32.60%019%0.193CC..THydrogen-bonded Turntrans-55.3-17.7163.9-167.5-112.5000112.2L69 R71 M157 E336 E340 I341 S342 T347L69-F338 HydrophobicContact CD2-CE2 4.37Å; R71-F338 HydrophobicContact CB-CD2 3.98Å; R71-F338 HydrophobicContact CB-CE2 3.7Å; R71-F338 HydrophobicContact CG-CD2 3.95Å; R71-F338 HydrophobicContact CG-CE2 4.17Å; M157-F338 HydrophobicContact CB-CD1 4.21Å; M157-F338 HydrophobicContact CB-CD2 4.47Å; M157-F338 HydrophobicContact CB-CE1 4.26Å; M157-F338 HydrophobicContact CB-CG 4.33Å; M157-F338 HydrophobicContact CB-CZ 4.44Å; M157-F338 HydrophobicContact CG-CB 4.31Å; M157-F338 HydrophobicContact CG-CD1 3.54Å; M157-F338 HydrophobicContact CG-CD2 4.49Å; M157-F338 HydrophobicContact CG-CE1 3.9Å; M157-F338 HydrophobicContact CG-CG 3.88Å; E336-F338 HydrophobicContact CG-CB 3.72Å; E336-F338 PolarHBondContact O-N 3.39Å; E336-F338 VanDerWaalsContact OE1-CB 3.27Å; E336-F338 WeakPolarHBondContact OE1-CB 3.36Å; E336-F338 PolarHBondContact OE1-N 2.85Å; F338-E340 PolarHBondContact O-N 3.25Å; F338-I341 HydrophobicContact CD2-CB 3.99Å; F338-I341 HydrophobicContact CD2-CD1 3.69Å; F338-I341 HydrophobicContact CD2-CG1 4.37Å; F338-I341 HydrophobicContact CD2-CG2 4.34Å; F338-I341 HydrophobicContact CE2-CB 3.93Å; F338-I341 HydrophobicContact CE2-CD1 3.8Å; F338-I341 HydrophobicContact CE2-CG1 4.47Å; F338-I341 HydrophobicContact CE2-CG2 3.76Å; F338-I341 HydrophobicContact CZ-CG2 4.08Å; F338-I341 PolarHBondContact O-N 3.41Å; F338-S342 PolarHBondContact O-N 2.67Å; F338-T347 HydrophobicContact CE1-CG2 3.8Å; F338-T347 HydrophobicContact CZ-CG2 3.77Å
339G97.2Very high94.7Very high0 Ų030.8 Ų30.80%018%0.183CC..Hα-helixtrans-48-38.9164.700000114S299 E336 D337 I341 S342 H343S299-G339 VanDerWaalsContact O-CA 3.24Å; S299-G339 WeakPolarHBondContact O-CA 3.5Å; E336-G339 PolarHBondContact O-N 2.83Å; D337-G339 PolarHBondContact O-N 3.42Å; G339-I341 VanDerWaalsContact C-N 3.3Å; G339-I341 PolarHBondContact O-N 2.82Å; G339-S342 VanDerWaalsContact CA-OG 3.29Å; G339-S342 WeakPolarHBondContact CA-OG 3.31Å; G339-S342 PolarHBondContact O-N 3.25Å; G339-S342 PolarHBondContact O-OG 3.05Å; G339-H343 PolarHBondContact O-CD2 3.1Å; G339-H343 PolarHBondContact O-N 3.01Å
340E97.9Very high95.1Very high9 Ų926.8 Ų26.84%0.04215%0.15CC..Hα-helixtrans-62.4-36.1175.8-68.3-70.8162.400112.6A138 K139 L142 C297 C298 D337 F338 R344A138-E340 HydrophobicContact CB-CB 3.99Å; K139-E340 WeakPolarHBondContact CE-OE1 3.27Å; K139-E340 WeakPolarHBondContact CE-OE2 3.29Å; K139-E340 HydrophobicContact CG-CG 3.95Å; K139-E340 IonicContact NZ-OE1 2.73Å; K139-E340 PolarHBondContact NZ-OE1 2.55Å; L142-E340 HydrophobicContact CD1-CB 3.72Å; C297-E340 VanDerWaalsContact CA-OE1 3.29Å; C297-E340 WeakPolarHBondContact CA-OE1 3.21Å; C297-E340 HydrophobicContact CB-CG 4.1Å; C298-E340 PolarHBondContact N-OE1 3.25Å; D337-E340 WeakPolarHBondContact O-CB 3.37Å; D337-E340 PolarHBondContact O-N 2.96Å; F338-E340 PolarHBondContact O-N 3.25Å; E340-R344 PolarHBondContact O-NH1 2.93Å; E340-R344 IonicContact OE2-CZ 2.58Å; E340-R344 IonicContact OE2-NH1 3.53Å; E340-R344 PolarHBondContact OE2-NH1 3.05Å; E340-R344 IonicContact OE2-NH2 3.9Å
341I98.6Very high95.6Very high0 Ų024.4 Ų24.40%014%0.135CC..Hα-helixtrans-75.1-41.9176-68.3166.7000110.4L69 L127 A138 L142 L147 F338 G339 H343 R344 I345 T347L69-I341 HydrophobicContact CD2-CD1 4.4Å; L69-I341 HydrophobicContact CD2-CG2 4.02Å; L127-I341 HydrophobicContact CD2-CD1 3.89Å; A138-I341 HydrophobicContact CB-CD1 4.45Å; L142-I341 HydrophobicContact CD1-CG1 4.11Å; L142-I341 HydrophobicContact CD2-CG1 4.08Å; L142-I341 HydrophobicContact CG-CG1 4.1Å; L147-I341 HydrophobicContact CD2-CG2 4.21Å; F338-I341 HydrophobicContact CD2-CB 3.99Å; F338-I341 HydrophobicContact CD2-CD1 3.69Å; F338-I341 HydrophobicContact CD2-CG1 4.37Å; F338-I341 HydrophobicContact CD2-CG2 4.34Å; F338-I341 HydrophobicContact CE2-CB 3.93Å; F338-I341 HydrophobicContact CE2-CD1 3.8Å; F338-I341 HydrophobicContact CE2-CG1 4.47Å; F338-I341 HydrophobicContact CE2-CG2 3.76Å; F338-I341 HydrophobicContact CZ-CG2 4.08Å; F338-I341 PolarHBondContact O-N 3.41Å; G339-I341 VanDerWaalsContact C-N 3.3Å; G339-I341 PolarHBondContact O-N 2.82Å; I341-H343 PolarHBondContact O-N 3.45Å; I341-R344 PolarHBondContact O-N 2.85Å; I341-I345 HydrophobicContact CG2-CD1 3.86Å; I341-I345 HydrophobicContact CG2-CG1 3.82Å; I341-I345 PolarHBondContact O-N 3.4Å; I341-I345 VanDerWaalsContact O-N 3.15Å; I341-T347 HydrophobicContact CG2-CG2 4.2Å
342S98.1Very high95.9Very high12 Ų1223 Ų238%0.08413%0.126CC..Hα-helixtrans-61.1-25.5-179.272.40000114.6E301 F338 G339 R344 I345 T347E301-S342 PolarHBondContact N-OG 2.7Å; E301-S342 VanDerWaalsContact O-CB 3.3Å; E301-S342 WeakPolarHBondContact O-CB 3.38Å; F338-S342 PolarHBondContact O-N 2.67Å; G339-S342 VanDerWaalsContact CA-OG 3.29Å; G339-S342 WeakPolarHBondContact CA-OG 3.31Å; G339-S342 PolarHBondContact O-N 3.25Å; G339-S342 PolarHBondContact O-OG 3.05Å; S342-R344 VanDerWaalsContact C-N 3.26Å; S342-R344 PolarHBondContact O-N 2.9Å; S342-I345 VanDerWaalsContact O-O 3.07Å; S342-T347 WeakPolarHBondContact CA-OG1 3.32Å; S342-T347 WeakPolarHBondContact CB-OG1 3.18Å
343H97Very high96.4Very high82 Ų8221.8 Ų21.838%0.3812%0.121SC..THydrogen-bonded Turntrans-78.8-7.8174.4-83.3-113.5000113.5S299 E301 G339 I341S299-H343 PolarHBondContact O-CD2 2.7Å; S299-H343 PolarHBondContact O-NE2 2.93Å; S299-H343 VanDerWaalsContact O-NE2 3.1Å; S299-H343 PolarHBondContact OG-NE2 2.96Å; E301-H343 WeakPolarHBondContact CG-NE2 3.24Å; G339-H343 PolarHBondContact O-CD2 3.1Å; G339-H343 PolarHBondContact O-N 3.01Å; I341-H343 PolarHBondContact O-N 3.45Å
344R98.2Very high97.1Very high128 Ų12817.4 Ų17.448%0.4839%0.094SC..THydrogen-bonded Turntrans-114.2-28.2-174.8-68170.7170.584.6-7113.2L142 L147 E340 I341 S342L142-R344 VanDerWaalsContact CD2-CD 3.49Å; L147-R344 HydrophobicContact CD1-CB 3.61Å; L147-R344 HydrophobicContact CD1-CG 4.46Å; E340-R344 PolarHBondContact O-NH1 2.93Å; E340-R344 IonicContact OE2-CZ 2.58Å; E340-R344 IonicContact OE2-NH1 3.53Å; E340-R344 PolarHBondContact OE2-NH1 3.05Å; E340-R344 IonicContact OE2-NH2 3.9Å; I341-R344 PolarHBondContact O-N 2.85Å; S342-R344 VanDerWaalsContact C-N 3.26Å; S342-R344 PolarHBondContact O-N 2.9Å
345I98.6Very high97.6Very high11 Ų1116.3 Ų16.36%0.0568%0.081CC..SBendtrans-139.7155.317654.2161.4000110.3L69 L147 V152 I341 S342 T347L69-I345 HydrophobicContact CD2-CD1 4.39Å; L147-I345 HydrophobicContact CD1-CG2 4.15Å; L147-I345 HydrophobicContact CD2-CD1 3.79Å; L147-I345 HydrophobicContact CD2-CG1 4.23Å; L147-I345 HydrophobicContact CD2-CG2 4.44Å; V152-I345 HydrophobicContact CB-CD1 4.28Å; V152-I345 HydrophobicContact CG1-CD1 3.47Å; V152-I345 VanDerWaalsContact CG1-CD1 3.47Å; V152-I345 WeakPolarHBondContact O-CG2 3.37Å; I341-I345 HydrophobicContact CG2-CD1 3.86Å; I341-I345 HydrophobicContact CG2-CG1 3.82Å; I341-I345 PolarHBondContact O-N 3.4Å; I341-I345 VanDerWaalsContact O-N 3.15Å; S342-I345 VanDerWaalsContact O-O 3.07Å; I345-T347 HydrophobicContact CD1-CG2 4.11Å; I345-T347 HydrophobicContact CG1-CG2 3.9Å; I345-T347 PolarHBondContact O-N 2.96Å
346P98.6Very high97.9Very high55 Ų5519.6 Ų19.636%0.35710%0.097SC..  trans-54.2125.1167.7-27.836000112.4D153 A154 G155 D303 V306D153-P346 WeakPolarHBondContact O-CD 3.31Å; A154-P346 CarbonylContact C-O 3.49Å; A154-P346 WeakPolarHBondContact CA-O 3.2Å; A154-P346 HydrophobicContact CB-CB 4.32Å; A154-P346 WeakPolarHBondContact CB-O 3.4Å; G155-P346 PolarHBondContact N-O 3.01Å; D303-P346 HydrophobicContact CB-CB 3.78Å; V306-P346 HydrophobicContact CG2-CB 3.53Å
347T98.8Very high97.9Very high1 Ų121.4 Ų21.41%0.00611%0.108CC..EExtended strand (participates in β ladder)trans-136.1162.6178.758.80000114.1G155 E301 D303 F338 I341 S342 I345G155-T347 CarbonylContact O-C 3.5Å; G155-T347 WeakPolarHBondContact O-CA 3.3Å; G155-T347 WeakPolarHBondContact O-CB 3.24Å; E301-T347 PolarHBondContact O-OG1 3.33Å; D303-T347 PolarHBondContact N-O 3.36Å; F338-T347 HydrophobicContact CE1-CG2 3.8Å; F338-T347 HydrophobicContact CZ-CG2 3.77Å; I341-T347 HydrophobicContact CG2-CG2 4.2Å; S342-T347 WeakPolarHBondContact CA-OG1 3.32Å; S342-T347 WeakPolarHBondContact CB-OG1 3.18Å; I345-T347 HydrophobicContact CD1-CG2 4.11Å; I345-T347 HydrophobicContact CG1-CG2 3.9Å; I345-T347 PolarHBondContact O-N 2.96Å
348T98.6Very high97.7Very high0 Ų028.2 Ų28.20%014%0.14CC..EExtended strand (participates in β ladder)trans-129.4162.9162.4-166.30000111.6G155 A156 M157 V306 T307 V310G155-T348 PolarHBondContact O-N 3.44Å; A156-T348 VanDerWaalsContact CA-O 3.26Å; A156-T348 WeakPolarHBondContact CA-O 3.34Å; A156-T348 HydrophobicContact CB-CG2 3.77Å; M157-T348 PolarHBondContact N-O 2.89Å; V306-T348 HydrophobicContact CG1-CG2 3.89Å; T307-T348 WeakPolarHBondContact CB-OG1 3.47Å; T307-T348 PolarHBondContact OG1-OG1 3.41Å; V310-T348 HydrophobicContact CB-CG2 4.06Å; V310-T348 HydrophobicContact CG1-CG2 4.13Å; V310-T348 HydrophobicContact CG2-CG2 3.84Å
349T98.5Very high97.6Very high1 Ų131 Ų311%0.00616%0.155CC..EExtended strand (participates in β ladder)trans-124.6136.2177.8-68.40000107.7M157 A174 F179 N300 F351M157-T349 HydrophobicContact CE-CG2 3.44Å; M157-T349 VanDerWaalsContact CE-CG2 3.44Å; M157-T349 HydrophobicContact SD-CG2 3.65Å; A174-T349 VanDerWaalsContact CB-O 3.23Å; A174-T349 WeakPolarHBondContact CB-O 3.37Å; A174-T349 PolarHBondContact N-O 3.42Å; F179-T349 HydrophobicContact CD1-CG2 3.97Å; F179-T349 HydrophobicContact CE1-CG2 3.7Å; N300-T349 PolarHBondContact OD1-OG1 3.1Å; T349-F351 HydrophobicContact CG2-CD1 4.19Å; T349-F351 HydrophobicContact CG2-CE1 3.8Å
350M98.5Very high97.5Very high0 Ų036 Ų360%018%0.179CC..EExtended strand (participates in β ladder)trans-124.7141.2177.2-63.3174.1-79.300109.9A156 M157 I158 H159 V171 F172 V173 V310 L314 V379 A383A156-M350 HydrophobicContact CB-CE 3.85Å; M157-M350 PolarHBondContact O-N 2.95Å; I158-M350 CarbonylContact C-O 3.56Å; I158-M350 VanDerWaalsContact CA-O 3.26Å; I158-M350 WeakPolarHBondContact CA-O 3.27Å; I158-M350 HydrophobicContact CD1-CE 4.17Å; I158-M350 HydrophobicContact CG1-CB 4.13Å; I158-M350 HydrophobicContact CG1-CE 3.65Å; H159-M350 PolarHBondContact N-O 2.93Å; V171-M350 HydrophobicContact CG1-CB 4.4Å; F172-M350 CarbonylContact O-C 3.38Å; F172-M350 VanDerWaalsContact O-CA 3.3Å; F172-M350 WeakPolarHBondContact O-CA 3.38Å; V173-M350 HydrophobicContact CG1-CG 4.26Å; V173-M350 HydrophobicContact CG2-CG 4.25Å; V310-M350 HydrophobicContact CG1-CE 4.37Å; V310-M350 HydrophobicContact CG1-CG 4.4Å; V310-M350 HydrophobicContact CG1-SD 3.62Å; L314-M350 HydrophobicContact CD1-SD 3.62Å; M350-V379 HydrophobicContact CE-CG1 4.41Å; M350-V379 HydrophobicContact SD-CG1 3.82Å; M350-A383 HydrophobicContact CE-CB 3.72Å; M350-A383 HydrophobicContact SD-CB 4.22Å
351F98Very high97.4Very high2 Ų236.7 Ų36.71%0.00918%0.183CC..EExtended strand (participates in β ladder)trans-110.4138.9169.8-67.5-15.1000111.4H159 F161 F163 V171 F172 F179 M180 L328 M332 T349H159-F351 HydrophobicContact CB-CD1 3.54Å; H159-F351 HydrophobicContact CB-CE1 3.52Å; H159-F351 CarbonylContact O-C 3.11Å; H159-F351 WeakPolarHBondContact O-CA 3.29Å; F161-F351 HydrophobicContact CD2-CE2 4.45Å; F163-F351 HydrophobicContact CE2-CB 4.26Å; F163-F351 HydrophobicContact CZ-CD2 4.02Å; V171-F351 CarbonylContact C-O 3.52Å; V171-F351 VanDerWaalsContact CA-O 3.29Å; V171-F351 WeakPolarHBondContact CA-O 3.38Å; F172-F351 HydrophobicContact CB-CB 4.4Å; F172-F351 HydrophobicContact CD1-CD2 4.2Å; F172-F351 PolarHBondContact N-O 2.74Å; F172-F351 PolarHBondContact O-N 3.02Å; F179-F351 HydrophobicContact CE1-CE1 4.17Å; F179-F351 HydrophobicContact CE1-CE2 4.02Å; F179-F351 AromaticContact CE1-CZ 3.69Å; F179-F351 HydrophobicContact CE1-CZ 3.69Å; F179-F351 HydrophobicContact CZ-CD2 4.36Å; F179-F351 AromaticContact CZ-CE2 3.8Å; F179-F351 HydrophobicContact CZ-CE2 3.8Å; F179-F351 AromaticContact CZ-CZ 3.98Å; F179-F351 HydrophobicContact CZ-CZ 3.98Å; M180-F351 HydrophobicContact SD-CZ 4.27Å; L328-F351 HydrophobicContact CD1-CE2 4.47Å; L328-F351 HydrophobicContact CD2-CD2 4.46Å; M332-F351 HydrophobicContact CE-CE2 4.05Å; M332-F351 HydrophobicContact CE-CZ 4.23Å; M332-F351 HydrophobicContact SD-CE2 3.43Å; M332-F351 WeakPolarHBondContact SD-CE2 3.46Å; M332-F351 HydrophobicContact SD-CZ 3.61Å; T349-F351 HydrophobicContact CG2-CD1 4.19Å; T349-F351 HydrophobicContact CG2-CE1 3.8Å
352I98.5Very high97.3Very high0 Ų041.1 Ų41.10%020%0.204CC..EExtended strand (participates in β ladder)trans-112.9131.3170.7-60.4-175.5000109.7M105 I158 H159 V160 F161 N170 V171 A354 I372 F375 G376 V379M105-I352 HydrophobicContact SD-CD1 4.44Å; I158-I352 HydrophobicContact CD1-CD1 4.18Å; I158-I352 HydrophobicContact CG2-CB 4.36Å; I158-I352 HydrophobicContact CG2-CD1 3.75Å; I158-I352 HydrophobicContact CG2-CG1 3.68Å; H159-I352 PolarHBondContact O-N 2.97Å; V160-I352 CarbonylContact C-O 3.47Å; V160-I352 WeakPolarHBondContact CA-O 3.44Å; F161-I352 PolarHBondContact N-O 3.39Å; N170-I352 WeakPolarHBondContact O-CA 3.27Å; V171-I352 HydrophobicContact CG2-CG1 4.23Å; I352-A354 PolarHBondContact O-N 3.35Å; I352-A354 VanDerWaalsContact O-N 3.15Å; I352-I372 HydrophobicContact CB-CD1 4.35Å; I352-I372 HydrophobicContact CG2-CB 4.42Å; I352-I372 HydrophobicContact CG2-CD1 3.68Å; I352-F375 HydrophobicContact CD1-CD1 4.28Å; I352-F375 HydrophobicContact CD1-CE1 4.28Å; I352-F375 HydrophobicContact CG2-CD1 4.22Å; I352-F375 HydrophobicContact CG2-CE1 4.24Å; I352-G376 VanDerWaalsContact CD1-CA 3.43Å; I352-V379 HydrophobicContact CD1-CB 4.17Å; I352-V379 HydrophobicContact CD1-CG1 4.34Å; I352-V379 HydrophobicContact CD1-CG2 4.07Å
353T98.4Very high97.3Very high1 Ų143 Ų431%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-69.6112174.9-51.90000110.1F161 F163 L166 P167 K169 N170F161-T353 WeakPolarHBondContact O-CA 3.26Å; F163-T353 HydrophobicContact CB-CG2 4.05Å; F163-T353 HydrophobicContact CD2-CG2 4.25Å; F163-T353 WeakPolarHBondContact CD2-OG1 3.31Å; L166-T353 HydrophobicContact CB-CG2 4.16Å; L166-T353 HydrophobicContact CD2-CG2 4.22Å; L166-T353 WeakPolarHBondContact CD2-OG1 3.33Å; L166-T353 HydrophobicContact CG-CG2 4.13Å; L166-T353 WeakPolarHBondContact O-CG2 3.5Å; P167-T353 WeakPolarHBondContact O-CB 3.41Å; P167-T353 WeakPolarHBondContact O-CG2 3.33Å; K169-T353 PolarHBondContact N-O 3.45Å; K169-T353 VanDerWaalsContact N-O 3.16Å; N170-T353 PolarHBondContact O-N 2.79Å; N170-T353 PolarHBondContact O-OG1 2.98Å
354A98.2Very high97.3Very high0 Ų040.9 Ų40.90%021%0.206CC..EExtended strand (participates in β ladder)trans-111.5-7.9-177.300000113.5M101 V160 F161 L168 I352 L368 D369 I372M101-A354 HydrophobicContact SD-CB 4.41Å; V160-A354 HydrophobicContact CB-CB 3.7Å; V160-A354 HydrophobicContact CG1-CB 4.18Å; V160-A354 HydrophobicContact CG2-CB 4.43Å; F161-A354 PolarHBondContact O-N 3.38Å; L168-A354 VanDerWaalsContact CD2-C 3.48Å; I352-A354 PolarHBondContact O-N 3.35Å; I352-A354 VanDerWaalsContact O-N 3.15Å; A354-L368 HydrophobicContact CB-CB 4.19Å; A354-L368 HydrophobicContact CB-CD2 4.22Å; A354-D369 VanDerWaalsContact O-CB 3.26Å; A354-D369 WeakPolarHBondContact O-CB 3.33Å; A354-D369 PolarHBondContact O-N 2.93Å; A354-I372 HydrophobicContact CB-CD1 3.64Å; A354-I372 HydrophobicContact CB-CG1 4.37Å
355A97.6Very high97.3Very high8 Ų840.1 Ų40.17%0.06621%0.206CC..EExtended strand (participates in β ladder)trans-156.1143.4171.500000110.8P162 F163 T357 L368P162-A355 CarbonylContact C-O 3.49Å; P162-A355 WeakPolarHBondContact CA-O 3.43Å; P162-A355 HydrophobicContact CB-CB 4.16Å; F163-A355 PolarHBondContact N-O 3.33Å; A355-T357 HydrophobicContact CB-CG2 3.76Å; A355-L368 HydrophobicContact CB-CD2 4.04Å
356D95.7Very high97.3Very high98 Ų9839.8 Ų39.852%0.52421%0.205SC..  trans-97.990.7166.4-176.32.5000108.6N165N165-D356 PolarHBondContact N-OD1 2.92Å
357T95.3Very high97.3Very high40 Ų4040.5 Ų40.525%0.24521%0.208CC..SBendtrans-154.3160.1-174.9-176.30000111.1P162 A355 L359 I366P162-T357 HydrophobicContact CB-CG2 3.73Å; A355-T357 HydrophobicContact CB-CG2 3.76Å; T357-L359 HydrophobicContact CG2-CB 4.11Å; T357-L359 PolarHBondContact OG1-N 2.92Å; T357-L359 VanDerWaalsContact OG1-N 3.13Å; T357-I366 HydrophobicContact CG2-CD1 3.83Å
358E94.3Very high97.3Very high145 Ų14540.8 Ų40.868%0.67821%0.21SC*.SBendtrans-84.5-13.2168.3-61.4-165.9152.200112.8K164 M360K164-E358 HydrophobicContact CD-CG 3.79Å; K164-E358 WeakPolarHBondContact CE-OE1 3.22Å; K164-E358 HydrophobicContact CG-CG 4.14Å; K164-E358 IonicContact NZ-OE1 3.95Å; K164-E358 PolarHBondContact NZ-OE1 2.98Å; E358-M360 PolarHBondContact O-N 3.01Å
359L95.9Very high97.2Very high59 Ų5944 Ų4431%0.30923%0.226SC..PPolyproline II helixtrans-67.7129.4176.5-62.8-179.6000109.6P162 T357 K365 I366P162-L359 WeakPolarHBondContact CB-O 3.31Å; P162-L359 WeakPolarHBondContact CG-O 3.38Å; T357-L359 HydrophobicContact CG2-CB 4.11Å; T357-L359 PolarHBondContact OG1-N 2.92Å; T357-L359 VanDerWaalsContact OG1-N 3.13Å; L359-K365 HydrophobicContact CD1-CB 3.98Å; L359-K365 WeakPolarHBondContact CD1-O 3.24Å; L359-I366 HydrophobicContact CB-CD1 3.71Å; L359-I366 WeakPolarHBondContact O-CD1 3.19Å
360M94.8Very high97.2Very high104 Ų10445.3 Ų45.351%0.51223%0.233SC..PPolyproline II helixtrans-84.6163.1172.7-69-60.1-57.900111F161 E358 N363F161-M360 HydrophobicContact CE1-CE 3.88Å; F161-M360 HydrophobicContact CZ-CE 3.56Å; E358-M360 PolarHBondContact O-N 3.01Å; M360-N363 WeakPolarHBondContact O-CB 3.22Å; M360-N363 PolarHBondContact O-N 2.89Å
361L96.2Very high97.2Very high24 Ų2447.5 Ų47.513%0.12625%0.248CC..THydrogen-bonded Turntrans-53.2155.9164.5-59.8176.7000110.7A96 H159 F161 P162 N363 L368A96-L361 WeakPolarHBondContact O-CA 3.33Å; H159-L361 WeakPolarHBondContact CE1-CD1 3.4Å; F161-L361 HydrophobicContact CD2-CD1 3.7Å; F161-L361 HydrophobicContact CE2-CD1 3.82Å; P162-L361 HydrophobicContact CG-CD2 4.17Å; P162-L361 HydrophobicContact CG-CG 4.13Å; L361-N363 PolarHBondContact O-N 2.96Å; L361-L368 HydrophobicContact CD2-CD1 4.42Å; L361-L368 HydrophobicContact CD2-CD2 4.45Å
362H95.9Very high97.2Very high93 Ų9347.4 Ų47.443%0.43125%0.247SC..THydrogen-bonded Turntrans67.611.7-175.3-52.1-158.5000113.5L77 A96 E133L77-H362 HydrophobicContact CD1-CB 4.04Å; A96-H362 PolarHBondContact O-N 3.29Å; E133-H362 IonicContact OE1-NE2 3.67Å; E133-H362 IonicContact OE2-CE1 3.46Å; E133-H362 PolarHBondContact OE2-CE1 2.76Å; E133-H362 VanDerWaalsContact OE2-CE1 3.31Å; E133-H362 IonicContact OE2-NE2 3.34Å
363N97.6Very high97.2Very high50 Ų5047.4 Ų47.427%0.26725%0.247SC..  trans-89.4131.5169.9-170.7-64.1000109.9M360 L361 K365 I366M360-N363 WeakPolarHBondContact O-CB 3.22Å; M360-N363 PolarHBondContact O-N 2.89Å; L361-N363 PolarHBondContact O-N 2.96Å; N363-K365 PolarHBondContact O-N 2.82Å; N363-K365 WeakPolarHBondContact OD1-CB 3.36Å; N363-K365 PolarHBondContact OD1-N 2.99Å; N363-I366 HydrophobicContact CB-CB 4.45Å; N363-I366 WeakPolarHBondContact O-CG2 3.18Å; N363-I366 PolarHBondContact O-N 3.26Å
364P97.9Very high97.2Very high39 Ų3949.4 Ų49.425%0.25326%0.257SS..THydrogen-bonded Turntrans-64.9-12.2-177.527.5-36.5000114L79 V80 D82L79-P364 HydrophobicContact CD1-CB 4.27Å; L79-P364 HydrophobicContact CD2-CB 4.19Å; L79-P364 HydrophobicContact CG-CB 4.2Å; V80-P364 VanDerWaalsContact O-CB 3.27Å; V80-P364 WeakPolarHBondContact O-CB 3.48Å; D82-P364 CarbonylContact C-O 3.58Å; D82-P364 HydrophobicContact CB-CB 3.99Å; D82-P364 PolarHBondContact N-O 2.71Å
365K98.2Very high97.2Very high111 Ų11150.2 Ų50.248%0.48326%0.26SS..THydrogen-bonded Turntrans-102.11.9178.1-52.9-161.6166.1-170.10114D82 L359 N363 V367D82-K365 HydrophobicContact CB-CG 4.27Å; D82-K365 WeakPolarHBondContact O-CG 3.47Å; D82-K365 WeakPolarHBondContact OD2-CE 3.25Å; D82-K365 IonicContact OD2-NZ 3.94Å; D82-K365 PolarHBondContact OD2-NZ 3.2Å; L359-K365 HydrophobicContact CD1-CB 3.98Å; L359-K365 WeakPolarHBondContact CD1-O 3.24Å; N363-K365 PolarHBondContact O-N 2.82Å; N363-K365 WeakPolarHBondContact OD1-CB 3.36Å; N363-K365 PolarHBondContact OD1-N 2.99Å; K365-V367 PolarHBondContact O-N 3.44Å
366I98.1Very high97.3Very high5 Ų549.9 Ų49.93%0.02626%0.257CS..  trans-65.3131-177.7-168.963.3000109.9M94 A96 P162 T357 L359 N363 L368M94-I366 HydrophobicContact CE-CG2 3.91Å; M94-I366 WeakPolarHBondContact CE-O 3.41Å; A96-I366 HydrophobicContact CB-CG2 4.07Å; P162-I366 HydrophobicContact CB-CD1 4.16Å; P162-I366 HydrophobicContact CG-CD1 4.32Å; T357-I366 HydrophobicContact CG2-CD1 3.83Å; L359-I366 HydrophobicContact CB-CD1 3.71Å; L359-I366 WeakPolarHBondContact O-CD1 3.19Å; N363-I366 HydrophobicContact CB-CB 4.45Å; N363-I366 WeakPolarHBondContact O-CG2 3.18Å; N363-I366 PolarHBondContact O-N 3.26Å; I366-L368 HydrophobicContact CD1-CD2 4.23Å; I366-L368 HydrophobicContact CG1-CD2 3.85Å; I366-L368 HydrophobicContact CG1-CG 4.27Å
367V98.1Very high97.4Very high69 Ų6945.2 Ų45.242%0.41823%0.232SC..  trans-123.9118.3172.4178.10000107.6T83 L85 K365T83-V367 HydrophobicContact CG2-CG2 3.97Å; L85-V367 HydrophobicContact CD1-CG1 4.29Å; L85-V367 HydrophobicContact CD1-CG2 4.17Å; L85-V367 HydrophobicContact CD2-CG1 3.98Å; L85-V367 HydrophobicContact CD2-CG2 4.42Å; L85-V367 HydrophobicContact CG-CG2 4.26Å; K365-V367 PolarHBondContact O-N 3.44Å
368L98.3Very high97.6Very high8 Ų845.8 Ų45.84%0.04223%0.234CC..  trans-99.2137.9177.5-55.1176.6000109.9R18 M101 V160 A354 A355 L361 I366R18-L368 VanDerWaalsContact CZ-O 3.29Å; R18-L368 PolarHBondContact NH1-O 3.43Å; R18-L368 PolarHBondContact NH2-O 2.89Å; M101-L368 HydrophobicContact SD-CB 3.44Å; M101-L368 WeakPolarHBondContact SD-CB 3.37Å; M101-L368 HydrophobicContact SD-CD1 3.9Å; M101-L368 HydrophobicContact SD-CG 4.33Å; V160-L368 HydrophobicContact CG2-CD1 3.62Å; A354-L368 HydrophobicContact CB-CB 4.19Å; A354-L368 HydrophobicContact CB-CD2 4.22Å; A355-L368 HydrophobicContact CB-CD2 4.04Å; L361-L368 HydrophobicContact CD2-CD1 4.42Å; L361-L368 HydrophobicContact CD2-CD2 4.45Å; I366-L368 HydrophobicContact CD1-CD2 4.23Å; I366-L368 HydrophobicContact CG1-CD2 3.85Å; I366-L368 HydrophobicContact CG1-CG 4.27Å
369D98.3Very high97.8Very high66 Ų6638.9 Ų38.935%0.35320%0.202SC..  trans-77.7120.1-170.3-167.3-62.2000112.2M101 L168 A354 S371 I372M101-D369 VanDerWaalsContact CE-O 3.3Å; M101-D369 WeakPolarHBondContact CE-O 3.35Å; L168-D369 HydrophobicContact CD1-CB 3.78Å; L168-D369 VanDerWaalsContact CD1-OD2 3.29Å; L168-D369 WeakPolarHBondContact CD1-OD2 3.22Å; L168-D369 HydrophobicContact CD2-CB 3.89Å; A354-D369 VanDerWaalsContact O-CB 3.26Å; A354-D369 WeakPolarHBondContact O-CB 3.33Å; A354-D369 PolarHBondContact O-N 2.93Å; D369-S371 PolarHBondContact O-N 3.23Å; D369-S371 WeakPolarHBondContact OD1-CA 3.4Å; D369-S371 WeakPolarHBondContact OD1-CB 3.34Å; D369-S371 PolarHBondContact OD1-N 2.91Å; D369-S371 PolarHBondContact OD1-OG 2.94Å; D369-I372 WeakPolarHBondContact O-CG1 3.42Å
370E98.2Very high97.9Very high30 Ų3036 Ų3614%0.1419%0.187CC..G310 helixtrans-66.2-18.4-177.4-64.6177.2125.400114.1Q11 V15 R19 I372 L373Q11-E370 PolarHBondContact NE2-O 3.39Å; V15-E370 HydrophobicContact CG2-CB 4.08Å; R19-E370 WeakPolarHBondContact CG-OE1 3.46Å; R19-E370 IonicContact CZ-OE1 2.91Å; R19-E370 IonicContact CZ-OE2 3.47Å; R19-E370 IonicContact NE-OE1 3.97Å; R19-E370 PolarHBondContact NE-OE1 2.83Å; R19-E370 IonicContact NE-OE2 2.88Å; R19-E370 PolarHBondContact NE-OE2 3.45Å; R19-E370 IonicContact NH2-OE1 3.49Å; R19-E370 IonicContact NH2-OE2 3.77Å; R19-E370 PolarHBondContact NH2-OE2 2.87Å; E370-I372 PolarHBondContact O-N 2.53Å; E370-L373 HydrophobicContact CB-CD1 4.25Å; E370-L373 WeakPolarHBondContact O-CD1 3.41Å; E370-L373 VanDerWaalsContact O-CG 3.22Å; E370-L373 WeakPolarHBondContact O-CG 3.22Å; E370-L373 PolarHBondContact O-N 3.18Å
371S97.8Very high98.1Very high45 Ų4532.1 Ų32.132%0.31517%0.168SC..G310 helixtrans-65.9-12.3-175.772.50000114.2K169 D369K169-S371 WeakPolarHBondContact CE-O 3.45Å; K169-S371 PolarHBondContact NZ-O 3.44Å; D369-S371 PolarHBondContact O-N 3.23Å; D369-S371 WeakPolarHBondContact OD1-CA 3.4Å; D369-S371 WeakPolarHBondContact OD1-CB 3.34Å; D369-S371 PolarHBondContact OD1-N 2.91Å; D369-S371 PolarHBondContact OD1-OG 2.94Å
372I98.3Very high98.2Very high0 Ų032.3 Ų32.30%017%0.169CC..G310 helixtrans-84.9-10.6179.472144.9000114.1M101 M105 V160 L168 K169 I352 A354 D369 E370 E374 F375 G376M101-I372 HydrophobicContact CE-CD1 3.69Å; M101-I372 HydrophobicContact CE-CG1 3.41Å; M101-I372 VanDerWaalsContact CE-CG1 3.41Å; M105-I372 HydrophobicContact SD-CD1 4.21Å; V160-I372 HydrophobicContact CG1-CD1 3.67Å; L168-I372 HydrophobicContact CB-CG2 4.22Å; K169-I372 HydrophobicContact CG-CB 4.31Å; K169-I372 HydrophobicContact CG-CG2 3.78Å; I352-I372 HydrophobicContact CB-CD1 4.35Å; I352-I372 HydrophobicContact CG2-CB 4.42Å; I352-I372 HydrophobicContact CG2-CD1 3.68Å; A354-I372 HydrophobicContact CB-CD1 3.64Å; A354-I372 HydrophobicContact CB-CG1 4.37Å; D369-I372 WeakPolarHBondContact O-CG1 3.42Å; E370-I372 PolarHBondContact O-N 2.53Å; I372-E374 PolarHBondContact O-N 3.37Å; I372-F375 CarbonylContact O-C 3.33Å; I372-F375 WeakPolarHBondContact O-CA 3.11Å; I372-F375 WeakPolarHBondContact O-CB 3.49Å; I372-F375 PolarHBondContact O-N 3.16Å; I372-F375 VanDerWaalsContact O-N 3.1Å; I372-G376 PolarHBondContact O-N 2.98Å
373L98.7Very high98.3Very high0 Ų027.9 Ų27.90%015%0.148CC..Hα-helixtrans-61.5-50.7-167.5-67.7168.7000113.3L14 V15 R18 M101 T104 M105 E370 F375 G376 A377L14-L373 HydrophobicContact CB-CB 3.91Å; L14-L373 HydrophobicContact CB-CD1 4.17Å; L14-L373 HydrophobicContact CD1-CB 4.1Å; V15-L373 HydrophobicContact CG2-CD1 4.15Å; R18-L373 HydrophobicContact CB-CD1 4.01Å; M101-L373 HydrophobicContact CB-CD2 4.12Å; M101-L373 HydrophobicContact CE-CD2 3.74Å; M101-L373 HydrophobicContact CE-CG 4.2Å; M101-L373 HydrophobicContact CG-CD2 4.28Å; T104-L373 HydrophobicContact CG2-CD1 4.17Å; T104-L373 HydrophobicContact CG2-CD2 3.81Å; T104-L373 HydrophobicContact CG2-CG 4.42Å; M105-L373 HydrophobicContact CG-CD2 4.02Å; E370-L373 HydrophobicContact CB-CD1 4.25Å; E370-L373 WeakPolarHBondContact O-CD1 3.41Å; E370-L373 VanDerWaalsContact O-CG 3.22Å; E370-L373 WeakPolarHBondContact O-CG 3.22Å; E370-L373 PolarHBondContact O-N 3.18Å; L373-F375 VanDerWaalsContact C-N 3.27Å; L373-F375 PolarHBondContact O-N 3.21Å; L373-G376 PolarHBondContact O-N 2.73Å; L373-A377 PolarHBondContact O-N 2.97Å
374E98.4Very high98.4Very high43 Ų4325.5 Ų25.520%0.20114%0.136CC..Hα-helixtrans-62.4-37.8175.1-179.8-175.5171.900111.1L10 Q11 I372 A377 N378L10-E374 HydrophobicContact CD2-CG 4.19Å; Q11-E374 HydrophobicContact CB-CB 4.14Å; I372-E374 PolarHBondContact O-N 3.37Å; E374-A377 PolarHBondContact O-N 3.47Å; E374-N378 PolarHBondContact O-N 3.15Å; E374-N378 PolarHBondContact O-ND2 3.01Å
375F98.4Very high98.4Very high18 Ų1825.7 Ų25.78%0.07913%0.134CC..Hα-helixtrans-62.3-48.4177.6174.3-102.9000111.2K169 V171 F318 N321 I352 I372 L373 A377 N378 V379K169-F375 HydrophobicContact CB-CD1 3.66Å; K169-F375 HydrophobicContact CB-CD2 4.4Å; K169-F375 HydrophobicContact CB-CE1 3.79Å; K169-F375 HydrophobicContact CB-CG 3.98Å; K169-F375 HydrophobicContact CB-CZ 4.22Å; K169-F375 HydrophobicContact CD-CB 4.02Å; K169-F375 HydrophobicContact CD-CG 4.12Å; K169-F375 HydrophobicContact CG-CB 4.19Å; K169-F375 HydrophobicContact CG-CD1 3.95Å; K169-F375 HydrophobicContact CG-CG 4.03Å; K169-F375 WeakPolarHBondContact O-CE1 3.3Å; K169-F375 WeakPolarHBondContact O-CZ 3.32Å; V171-F375 HydrophobicContact CG2-CE1 3.38Å; V171-F375 HydrophobicContact CG2-CZ 3.41Å; V171-F375 VanDerWaalsContact CG2-CZ 3.41Å; F318-F375 HydrophobicContact CB-CE2 4.39Å; F318-F375 HydrophobicContact CD1-CD2 4.39Å; F318-F375 AromaticContact CD1-CE2 3.75Å; F318-F375 HydrophobicContact CD1-CE2 3.75Å; F318-F375 HydrophobicContact CD2-CE2 4.48Å; F318-F375 HydrophobicContact CE1-CD2 4.38Å; F318-F375 HydrophobicContact CE1-CE2 4.12Å; F318-F375 AromaticContact CG-CE2 3.96Å; F318-F375 HydrophobicContact CG-CE2 3.96Å; N321-F375 HydrophobicContact CB-CE2 4.17Å; N321-F375 HydrophobicContact CB-CZ 3.79Å; I352-F375 HydrophobicContact CD1-CD1 4.28Å; I352-F375 HydrophobicContact CD1-CE1 4.28Å; I352-F375 HydrophobicContact CG2-CD1 4.22Å; I352-F375 HydrophobicContact CG2-CE1 4.24Å; I372-F375 CarbonylContact O-C 3.33Å; I372-F375 WeakPolarHBondContact O-CA 3.11Å; I372-F375 WeakPolarHBondContact O-CB 3.49Å; I372-F375 PolarHBondContact O-N 3.16Å; I372-F375 VanDerWaalsContact O-N 3.1Å; L373-F375 VanDerWaalsContact C-N 3.27Å; L373-F375 PolarHBondContact O-N 3.21Å; F375-A377 PolarHBondContact O-N 3.4Å; F375-N378 PolarHBondContact O-N 2.84Å; F375-N378 VanDerWaalsContact O-N 3.14Å; F375-V379 HydrophobicContact CD1-CG2 4.21Å; F375-V379 HydrophobicContact CE1-CG2 3.78Å; F375-V379 HydrophobicContact CE2-CG2 4.22Å; F375-V379 HydrophobicContact CZ-CG2 3.78Å; F375-V379 WeakPolarHBondContact O-CG2 3.34Å; F375-V379 PolarHBondContact O-N 2.86Å
376G98.7Very high98.4Very high0 Ų020.9 Ų20.90%012%0.115CC..Hα-helixtrans-67-33.6178.500000113.8I352 I372 L373 N378 V379 Y380I352-G376 VanDerWaalsContact CD1-CA 3.43Å; I372-G376 PolarHBondContact O-N 2.98Å; L373-G376 PolarHBondContact O-N 2.73Å; G376-N378 VanDerWaalsContact C-N 3.33Å; G376-N378 PolarHBondContact O-N 2.82Å; G376-V379 PolarHBondContact O-N 3.28Å; G376-Y380 PolarHBondContact O-N 3.48Å
377A98.7Very high98.3Very high0 Ų020.8 Ų20.80%012%0.115CC..Hα-helixtrans-58.3-45169.100000111.7L14 M105 L112 L373 E374 F375 Y380 V381L14-A377 HydrophobicContact CD1-CB 4.25Å; M105-A377 WeakPolarHBondContact O-CA 3.19Å; M105-A377 WeakPolarHBondContact O-CB 3.48Å; L112-A377 HydrophobicContact CD1-CB 4.29Å; L373-A377 PolarHBondContact O-N 2.97Å; E374-A377 PolarHBondContact O-N 3.47Å; F375-A377 PolarHBondContact O-N 3.4Å; A377-Y380 WeakPolarHBondContact O-CB 3.16Å; A377-Y380 PolarHBondContact O-N 3.4Å; A377-V381 WeakPolarHBondContact O-CG2 3.11Å; A377-V381 PolarHBondContact O-N 2.88Å; A377-V381 VanDerWaalsContact O-N 3.11Å
378N98.6Very high98.3Very high52 Ų5218 Ų1828%0.27810%0.098SC..Hα-helixtrans-68.7-32.5176.2-76-84.6000113F318 E374 F375 G376 Y380 V381 E382F318-N378 HydrophobicContact CZ-CB 3.85Å; E374-N378 PolarHBondContact O-N 3.15Å; E374-N378 PolarHBondContact O-ND2 3.01Å; F375-N378 PolarHBondContact O-N 2.84Å; F375-N378 VanDerWaalsContact O-N 3.14Å; G376-N378 VanDerWaalsContact C-N 3.33Å; G376-N378 PolarHBondContact O-N 2.82Å; N378-Y380 VanDerWaalsContact C-N 3.35Å; N378-V381 PolarHBondContact O-N 3.4Å; N378-E382 WeakPolarHBondContact O-CB 3.35Å; N378-E382 PolarHBondContact O-N 2.87Å
379V98.8Very high98Very high0 Ų023.2 Ų23.20%012%0.122CC..Hα-helixtrans-62.8-42.7173.3172.10000110.7I158 V171 L314 F318 M350 I352 F375 G376 E382 A383I158-V379 HydrophobicContact CD1-CB 3.95Å; I158-V379 HydrophobicContact CD1-CG1 3.6Å; I158-V379 HydrophobicContact CG1-CG1 4.46Å; V171-V379 HydrophobicContact CG1-CG1 4.24Å; V171-V379 HydrophobicContact CG2-CG1 4.5Å; V171-V379 HydrophobicContact CG2-CG2 3.79Å; L314-V379 HydrophobicContact CD1-CG1 4.13Å; L314-V379 HydrophobicContact CD2-CB 4.27Å; L314-V379 HydrophobicContact CD2-CG1 3.84Å; L314-V379 HydrophobicContact CD2-CG2 4.34Å; F318-V379 HydrophobicContact CE2-CG2 4.35Å; M350-V379 HydrophobicContact CE-CG1 4.41Å; M350-V379 HydrophobicContact SD-CG1 3.82Å; I352-V379 HydrophobicContact CD1-CB 4.17Å; I352-V379 HydrophobicContact CD1-CG1 4.34Å; I352-V379 HydrophobicContact CD1-CG2 4.07Å; F375-V379 HydrophobicContact CD1-CG2 4.21Å; F375-V379 HydrophobicContact CE1-CG2 3.78Å; F375-V379 HydrophobicContact CE2-CG2 4.22Å; F375-V379 HydrophobicContact CZ-CG2 3.78Å; F375-V379 WeakPolarHBondContact O-CG2 3.34Å; F375-V379 PolarHBondContact O-N 2.86Å; G376-V379 PolarHBondContact O-N 3.28Å; V379-E382 PolarHBondContact O-N 3.37Å; V379-A383 WeakPolarHBondContact O-CB 3.47Å; V379-A383 PolarHBondContact O-N 2.94Å
380Y98.8Very high97.2Very high0 Ų021.5 Ų21.50%012%0.115CC..Hα-helixtrans-58.9-47.9173.3-92.9-50.2000112.3L70 R71 M105 L106 A109 I158 G376 A377 N378 A383 A384L70-Y380 HydrophobicContact CB-CD1 4.12Å; L70-Y380 HydrophobicContact CB-CE1 4.35Å; L70-Y380 HydrophobicContact CD1-CD1 4.02Å; L70-Y380 HydrophobicContact CD1-CG 4.32Å; L70-Y380 HydrophobicContact CD2-CD1 3.9Å; L70-Y380 HydrophobicContact CG-CD1 4.24Å; R71-Y380 PolarHBondContact O-OH 2.89Å; M105-Y380 HydrophobicContact CB-CD2 4.11Å; M105-Y380 HydrophobicContact CB-CE2 4Å; L106-Y380 HydrophobicContact CB-CD2 4.45Å; L106-Y380 HydrophobicContact CB-CE2 4.09Å; L106-Y380 HydrophobicContact CD1-CD1 4.4Å; L106-Y380 HydrophobicContact CD1-CD2 4.31Å; L106-Y380 HydrophobicContact CD1-CE1 4.44Å; L106-Y380 HydrophobicContact CD1-CE2 4.36Å; L106-Y380 HydrophobicContact CD1-CG 4.35Å; A109-Y380 HydrophobicContact CB-CD2 4.4Å; A109-Y380 HydrophobicContact CB-CG 4.3Å; I158-Y380 HydrophobicContact CB-CE1 4.03Å; I158-Y380 HydrophobicContact CB-CE2 4.01Å; I158-Y380 WeakPolarHBondContact CB-OH 3.42Å; I158-Y380 HydrophobicContact CD1-CD1 3.65Å; I158-Y380 HydrophobicContact CD1-CD2 3.6Å; I158-Y380 HydrophobicContact CD1-CE1 3.77Å; I158-Y380 HydrophobicContact CD1-CE2 3.71Å; I158-Y380 HydrophobicContact CD1-CG 3.55Å; I158-Y380 HydrophobicContact CG1-CD1 3.92Å; I158-Y380 HydrophobicContact CG1-CD2 4.39Å; I158-Y380 HydrophobicContact CG1-CE1 3.57Å; I158-Y380 HydrophobicContact CG1-CE2 4.07Å; I158-Y380 HydrophobicContact CG1-CG 4.31Å; I158-Y380 PolarHBondContact N-OH 3.28Å; I158-Y380 PolarHBondContact O-OH 3.41Å; G376-Y380 PolarHBondContact O-N 3.48Å; A377-Y380 WeakPolarHBondContact O-CB 3.16Å; A377-Y380 PolarHBondContact O-N 3.4Å; N378-Y380 VanDerWaalsContact C-N 3.35Å; Y380-A383 PolarHBondContact O-N 2.83Å; Y380-A384 PolarHBondContact O-N 3.05Å; Y380-A384 VanDerWaalsContact O-N 3.11Å
381V98.6Very high95.2Very high21 Ų2129.9 Ų29.913%0.12717%0.168CC..Hα-helixtrans-58.6-51.9177.91740000110.4A109 L112 L113 A377 N378 A383 A384 L385A109-V381 HydrophobicContact CB-CG2 4.05Å; L112-V381 HydrophobicContact CB-CG2 3.84Å; L112-V381 HydrophobicContact CD1-CG2 4.05Å; L113-V381 HydrophobicContact CD2-CG1 4.24Å; L113-V381 HydrophobicContact CD2-CG2 4.41Å; L113-V381 HydrophobicContact CG-CG2 4.17Å; A377-V381 WeakPolarHBondContact O-CG2 3.11Å; A377-V381 PolarHBondContact O-N 2.88Å; A377-V381 VanDerWaalsContact O-N 3.11Å; N378-V381 PolarHBondContact O-N 3.4Å; V381-A383 PolarHBondContact O-N 2.93Å; V381-A384 WeakPolarHBondContact O-CB 3.34Å; V381-A384 PolarHBondContact O-N 3.24Å; V381-A384 VanDerWaalsContact O-N 3.14Å; V381-L385 HydrophobicContact CG1-CD1 3.87Å; V381-L385 HydrophobicContact CG1-CG 4.18Å; V381-L385 WeakPolarHBondContact O-CG 3.41Å; V381-L385 PolarHBondContact O-N 3.5Å
382E98.5Very high95Very high29 Ų2929.2 Ų29.214%0.13616%0.161CC..Hα-helixtrans-64.5-38.7-177.3-176.857.9-155.400112.3L314 V317 F318 N378 V379 A384 L385 A386L314-E382 HydrophobicContact CD2-CB 3.83Å; L314-E382 HydrophobicContact CD2-CG 3.82Å; L314-E382 HydrophobicContact CG-CG 4.45Å; V317-E382 HydrophobicContact CB-CG 4.24Å; V317-E382 HydrophobicContact CG2-CG 4Å; V317-E382 WeakPolarHBondContact CG2-OE1 3.42Å; V317-E382 WeakPolarHBondContact CG2-OE2 3.49Å; F318-E382 HydrophobicContact CE2-CB 4.19Å; F318-E382 HydrophobicContact CE2-CG 4.46Å; N378-E382 WeakPolarHBondContact O-CB 3.35Å; N378-E382 PolarHBondContact O-N 2.87Å; V379-E382 PolarHBondContact O-N 3.37Å; E382-A384 VanDerWaalsContact C-N 3.29Å; E382-A384 PolarHBondContact O-N 3.23Å; E382-L385 PolarHBondContact O-N 2.74Å; E382-A386 VanDerWaalsContact O-CB 3.28Å; E382-A386 WeakPolarHBondContact O-CB 3.27Å; E382-A386 PolarHBondContact O-N 3.05Å
383A98.5Very high94.9Very high0 Ų030.7 Ų30.70%017%0.169CC..Hα-helixtrans-59.7-41.6174.200000111.7V310 M350 V379 Y380 V381 C387V310-A383 HydrophobicContact CG1-CB 3.82Å; V310-A383 HydrophobicContact CG2-CB 4.2Å; M350-A383 HydrophobicContact CE-CB 3.72Å; M350-A383 HydrophobicContact SD-CB 4.22Å; V379-A383 WeakPolarHBondContact O-CB 3.47Å; V379-A383 PolarHBondContact O-N 2.94Å; Y380-A383 PolarHBondContact O-N 2.83Å; V381-A383 PolarHBondContact O-N 2.93Å; A383-C387 PolarHBondContact O-N 2.88Å
384A98.4Very high94.6Very high0 Ų032.4 Ų32.40%018%0.179CC..Hα-helixtrans-66.4-49.9175.300000111.9F68 L70 V124 Y380 V381 E382 A386 C387 L388F68-A384 HydrophobicContact CD1-CB 3.85Å; F68-A384 HydrophobicContact CE1-CB 4.46Å; L70-A384 HydrophobicContact CD1-CB 4.17Å; L70-A384 HydrophobicContact CD2-CB 4.38Å; L70-A384 HydrophobicContact CG-CB 4.47Å; V124-A384 HydrophobicContact CG1-CB 4.23Å; V124-A384 HydrophobicContact CG2-CB 3.82Å; Y380-A384 PolarHBondContact O-N 3.05Å; Y380-A384 VanDerWaalsContact O-N 3.11Å; V381-A384 WeakPolarHBondContact O-CB 3.34Å; V381-A384 PolarHBondContact O-N 3.24Å; V381-A384 VanDerWaalsContact O-N 3.14Å; E382-A384 VanDerWaalsContact C-N 3.29Å; E382-A384 PolarHBondContact O-N 3.23Å; A384-A386 PolarHBondContact O-N 3.32Å; A384-C387 PolarHBondContact O-N 2.81Å; A384-L388 VanDerWaalsContact O-CG 3.31Å; A384-L388 WeakPolarHBondContact O-CG 3.33Å; A384-L388 PolarHBondContact O-N 2.83Å
385L98Very high94.4Very high42 Ų4231.8 Ų31.822%0.2218%0.177CC..Hα-helixtrans-58.5-46.8-179.7-66.4-179.2000111.8L120 V381 E382 C387 L388 E389L120-L385 HydrophobicContact CD2-CD2 3.61Å; V381-L385 HydrophobicContact CG1-CD1 3.87Å; V381-L385 HydrophobicContact CG1-CG 4.18Å; V381-L385 WeakPolarHBondContact O-CG 3.41Å; V381-L385 PolarHBondContact O-N 3.5Å; E382-L385 PolarHBondContact O-N 2.74Å; L385-C387 VanDerWaalsContact C-N 3.26Å; L385-C387 PolarHBondContact O-N 2.92Å; L385-L388 PolarHBondContact O-N 3.32Å; L385-L388 VanDerWaalsContact O-N 3.15Å; L385-E389 WeakPolarHBondContact O-CB 3.02Å; L385-E389 WeakPolarHBondContact O-CG 3.34Å; L385-E389 PolarHBondContact O-N 3.08Å
386A97.3Very high94.2Very high11 Ų1132.6 Ų32.69%0.09118%0.183CC..Hα-helixtrans-55.7-41.6178.200000112.2V309 E382 A384 S390V309-A386 HydrophobicContact CG1-CB 4.09Å; V309-A386 VanDerWaalsContact CG1-O 3.22Å; V309-A386 WeakPolarHBondContact CG1-O 2.86Å; E382-A386 VanDerWaalsContact O-CB 3.28Å; E382-A386 WeakPolarHBondContact O-CB 3.27Å; E382-A386 PolarHBondContact O-N 3.05Å; A384-A386 PolarHBondContact O-N 3.32Å; A386-S390 WeakPolarHBondContact O-CB 3.37Å; A386-S390 PolarHBondContact O-N 2.82Å; A386-S390 VanDerWaalsContact O-N 3.16Å
387C97.4Very high93.9Very high2 Ų234.8 Ų34.81%0.01420%0.196CC..Hα-helixtrans-75-36.2178-76.90000113.7R66 F68 A383 A384 L385 E389 S390R66-C387 PolarHBondContact NE-O 3.14Å; F68-C387 HydrophobicContact CD2-CB 3.52Å; F68-C387 HydrophobicContact CE2-CB 3.61Å; F68-C387 WeakPolarHBondContact CE2-SG 3.22Å; F68-C387 HydrophobicContact CG-CB 4.06Å; F68-C387 HydrophobicContact CZ-CB 4.2Å; A383-C387 PolarHBondContact O-N 2.88Å; A384-C387 PolarHBondContact O-N 2.81Å; L385-C387 VanDerWaalsContact C-N 3.26Å; L385-C387 PolarHBondContact O-N 2.92Å; C387-E389 VanDerWaalsContact C-N 3.32Å; C387-S390 PolarHBondContact O-OG 3.32Å
388L96.8Very high93.5Very high12 Ų1237.3 Ų37.36%0.06321%0.21CC..Hα-helixtrans-70.3-28.1176.7-66.4-174.7000112.8R66 F68 T121 V124 A384 L385R66-L388 HydrophobicContact CB-CD2 4.24Å; R66-L388 HydrophobicContact CG-CD2 4.28Å; F68-L388 HydrophobicContact CB-CD2 4.13Å; T121-L388 PolarHBondContact OG1-O 2.79Å; V124-L388 HydrophobicContact CG2-CD1 3.82Å; A384-L388 VanDerWaalsContact O-CG 3.31Å; A384-L388 WeakPolarHBondContact O-CG 3.33Å; A384-L388 PolarHBondContact O-N 2.83Å; L385-L388 PolarHBondContact O-N 3.32Å; L385-L388 VanDerWaalsContact O-N 3.15Å
389E91.9Very high93.1Very high116 Ų11636.2 Ų36.254%0.54220%0.204SC..Hα-helixtrans-89.7-17.5178.2-67.5178.5-176.600113.6L385 C387 V391L385-E389 WeakPolarHBondContact O-CB 3.02Å; L385-E389 WeakPolarHBondContact O-CG 3.34Å; L385-E389 PolarHBondContact O-N 3.08Å; C387-E389 VanDerWaalsContact C-N 3.32Å; E389-V391 PolarHBondContact O-N 3.15Å
390S82.6Confident92.7Very high30 Ų3039.2 Ų39.221%0.2122%0.221CC..  trans-71.4112.3178.7680000111.7R66 A386 C387R66-S390 PolarHBondContact NH1-O 2.78Å; A386-S390 WeakPolarHBondContact O-CB 3.37Å; A386-S390 PolarHBondContact O-N 2.82Å; A386-S390 VanDerWaalsContact O-N 3.16Å; C387-S390 PolarHBondContact O-OG 3.32Å
391V55.4Low92.1Very high207 Ų20742.7 Ų42.7100%1.25524%0.241SC*.  trans-810175.4-177.70000111E389E389-V391 PolarHBondContact O-N 3.15Å

Retrieved 391 of 391 residues in 171.8 ms (Link to these results)

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