A0A077Z8B5_TRITR Loading...

USP8 dimer and JAB domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z8B5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 368 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
1M37.3Very low70.5Confident223 Ų223124.7 Ų124.7100%1.09963%0.628SS**  099.80-106.5172.870.500107.8Q3M1-Q3 PolarHBondContact O-N 3.48Å
2Q40.7Very low72.5Confident200 Ų200121.8 Ų121.894%0.93562%0.615SS**  trans-71.6111.2159.7-82.9167.7-10.200105.2A4Q2-A4 PolarHBondContact O-N 3.08Å
3Q42.3Very low74.3Confident166 Ų166117.8 Ų117.878%0.77659%0.587SS**  trans-59.5122.5170.7-77.4175.4-15.500106.9M1 I5M1-Q3 PolarHBondContact O-N 3.48Å; Q3-I5 PolarHBondContact O-N 3.08Å; Q3-I5 VanDerWaalsContact O-N 3.09Å
4A56Low75.8Confident86 Ų86110.4 Ų110.471%0.71155%0.551SS**  trans-59.5115.9170.400000107Q2 E6Q2-A4 PolarHBondContact O-N 3.08Å; A4-E6 PolarHBondContact O-N 3.14Å
5I68.3Low77.2Confident162 Ų162112.9 Ų112.983%0.83156%0.557SS**PPolyproline II helixtrans-66.5118.4178.4-59.9172.4000106.4Q3Q3-I5 PolarHBondContact O-N 3.08Å; Q3-I5 VanDerWaalsContact O-N 3.09Å
6E76.9Confident78.3Confident122 Ų122110.6 Ų110.657%0.5754%0.544SS*.PPolyproline II helixtrans-56.2132176.3-171.4-174.816400109.4A4A4-E6 PolarHBondContact O-N 3.14Å
7P82.6Confident79.3Confident47 Ų47104.1 Ų104.131%0.30551%0.512SS..PPolyproline II helixtrans-64.9142.7178.128.6-34000109.7Y119 F122P7-Y119 HydrophobicContact CG-CD2 4.23Å; P7-Y119 HydrophobicContact CG-CE2 4.37Å; P7-F122 VanDerWaalsContact CD-CD1 3.48Å; P7-F122 HydrophobicContact CG-CB 4.32Å; P7-F122 HydrophobicContact CG-CD1 3.3Å; P7-F122 HydrophobicContact CG-CD2 4.12Å; P7-F122 HydrophobicContact CG-CE1 3.52Å; P7-F122 HydrophobicContact CG-CE2 4.28Å; P7-F122 HydrophobicContact CG-CG 3.64Å; P7-F122 HydrophobicContact CG-CZ 4Å
8L87.4Confident80.2Confident74 Ų74100.5 Ų100.539%0.38750%0.497SS..PPolyproline II helixtrans-62.1147.3176-66.5167.4000111L12 R13 E16L8-L12 HydrophobicContact CB-CB 4.44Å; L8-R13 HydrophobicContact CB-CB 4.22Å; L8-E16 HydrophobicContact CD1-CG 4.38Å; L8-E16 WeakPolarHBondContact CD1-OE1 3.49Å; L8-E16 WeakPolarHBondContact CD1-OE2 3.01Å
9K93.6Very high81Confident130 Ų13099.4 Ų99.457%0.56550%0.501SS*.PPolyproline II helixtrans-56.1144171.9-67.8-177.3178.3179.80110.2K11 L12 R13 Y119K9-K11 PolarHBondContact O-N 2.8Å; K9-K11 VanDerWaalsContact O-N 3.16Å; K9-L12 HydrophobicContact CB-CD1 4.38Å; K9-L12 WeakPolarHBondContact O-CA 3.41Å; K9-L12 WeakPolarHBondContact O-CB 3.45Å; K9-L12 PolarHBondContact O-N 2.89Å; K9-R13 PolarHBondContact O-N 3.12Å; K9-Y119 HydrophobicContact CG-CE2 4.36Å
10P94.7Very high81.6Confident10 Ų1098.6 Ų98.67%0.06550%0.495CS..Hα-helixtrans-50.4-46.9-171.6-34.139.9000114.8L12 R13 L14 L112 L115 D116 Y119P10-L12 VanDerWaalsContact C-N 3.33Å; P10-L12 PolarHBondContact O-N 3.47Å; P10-R13 PolarHBondContact O-N 3.18Å; P10-L14 WeakPolarHBondContact O-CB 3.4Å; P10-L14 PolarHBondContact O-N 3.12Å; P10-L112 HydrophobicContact CB-CD1 4.14Å; P10-L115 HydrophobicContact CB-CB 3.9Å; P10-D116 WeakPolarHBondContact CB-OD1 3.46Å; P10-D116 HydrophobicContact CG-CB 4.44Å; P10-D116 WeakPolarHBondContact CG-OD1 3.45Å; P10-Y119 HydrophobicContact CG-CD1 4.21Å; P10-Y119 HydrophobicContact CG-CG 3.88Å
11K95.6Very high82.2Confident152 Ų15293.9 Ų93.966%0.66147%0.471SS*.Hα-helixtrans-63.4-33.2176.9-68.7-176.1178178.50114K9 K15 L112K9-K11 PolarHBondContact O-N 2.8Å; K9-K11 VanDerWaalsContact O-N 3.16Å; K11-K15 WeakPolarHBondContact O-CG 3.45Å; K11-K15 PolarHBondContact O-N 2.79Å; K11-L112 HydrophobicContact CG-CD1 4.18Å
12L95.2Very high84.9Confident90 Ų9085.4 Ų85.447%0.47143%0.434SS..Hα-helixtrans-74.1-43.8175.4-70.3172.6000110.1L8 K9 P10 L14 K15 E16L8-L12 HydrophobicContact CB-CB 4.44Å; K9-L12 HydrophobicContact CB-CD1 4.38Å; K9-L12 WeakPolarHBondContact O-CA 3.41Å; K9-L12 WeakPolarHBondContact O-CB 3.45Å; K9-L12 PolarHBondContact O-N 2.89Å; P10-L12 VanDerWaalsContact C-N 3.33Å; P10-L12 PolarHBondContact O-N 3.47Å; L12-L14 VanDerWaalsContact C-N 3.32Å; L12-L14 PolarHBondContact O-N 3.37Å; L12-K15 WeakPolarHBondContact O-CB 3.35Å; L12-K15 PolarHBondContact O-N 3.38Å; L12-K15 VanDerWaalsContact O-N 3.11Å; L12-E16 PolarHBondContact O-N 3.07Å
13R94.8Very high87.4Confident69 Ų6981.7 Ų81.726%0.2642%0.421SS..Hα-helixtrans-59.5-43.4176-177.458-172.41524.5111.9L8 K9 P10 K15 E16 I17 E56 L115L8-R13 HydrophobicContact CB-CB 4.22Å; K9-R13 PolarHBondContact O-N 3.12Å; P10-R13 PolarHBondContact O-N 3.18Å; R13-K15 VanDerWaalsContact C-N 3.32Å; R13-K15 PolarHBondContact O-N 3.01Å; R13-E16 IonicContact NH1-OE2 2.71Å; R13-E16 PolarHBondContact NH1-OE2 3.25Å; R13-E16 PolarHBondContact O-N 3.41Å; R13-I17 HydrophobicContact CG-CD1 3.98Å; R13-I17 VanDerWaalsContact O-CG1 3.29Å; R13-I17 WeakPolarHBondContact O-CG1 3.28Å; R13-I17 PolarHBondContact O-N 3.31Å; R13-E56 IonicContact NH2-OE1 3.2Å; R13-L115 HydrophobicContact CB-CD1 4.3Å; R13-L115 HydrophobicContact CG-CD1 4.13Å; R13-L115 HydrophobicContact CG-CD2 3.84Å
14L96.4Very high89.8Confident14 Ų1474.5 Ų74.57%0.07339%0.387CS..Hα-helixtrans-61.6-38.7175.4-176.863.3000112.5P10 L12 I17 T18 K108 L111 L112 L115P10-L14 WeakPolarHBondContact O-CB 3.4Å; P10-L14 PolarHBondContact O-N 3.12Å; L12-L14 VanDerWaalsContact C-N 3.32Å; L12-L14 PolarHBondContact O-N 3.37Å; L14-I17 PolarHBondContact O-N 3.23Å; L14-T18 WeakPolarHBondContact O-CB 3.12Å; L14-T18 PolarHBondContact O-N 2.93Å; L14-T18 PolarHBondContact O-OG1 3.12Å; L14-K108 HydrophobicContact CD1-CG 4.2Å; L14-K108 HydrophobicContact CD2-CG 4.04Å; L14-L111 HydrophobicContact CD1-CB 4.46Å; L14-L111 HydrophobicContact CD1-CD2 3.68Å; L14-L111 HydrophobicContact CD1-CG 4.05Å; L14-L112 HydrophobicContact CD2-CB 4.08Å; L14-L112 HydrophobicContact CD2-CD1 4.09Å; L14-L112 HydrophobicContact CD2-CD2 4.46Å; L14-L112 HydrophobicContact CD2-CG 4.44Å; L14-L115 HydrophobicContact CB-CD1 4.09Å
15K96.3Very high91.5Very high149 Ų14974.3 Ų74.365%0.64837%0.372SS*.Hα-helixtrans-63.6-42.7175-78.8179.6178.4-172.30111.9K11 L12 R13 T18 S19K11-K15 WeakPolarHBondContact O-CG 3.45Å; K11-K15 PolarHBondContact O-N 2.79Å; L12-K15 WeakPolarHBondContact O-CB 3.35Å; L12-K15 PolarHBondContact O-N 3.38Å; L12-K15 VanDerWaalsContact O-N 3.11Å; R13-K15 VanDerWaalsContact C-N 3.32Å; R13-K15 PolarHBondContact O-N 3.01Å; K15-T18 PolarHBondContact O-N 3.23Å; K15-S19 WeakPolarHBondContact O-CB 3.39Å; K15-S19 PolarHBondContact O-N 3.32Å
16E94.9Very high92.6Very high76 Ų7668.4 Ų68.436%0.35534%0.34SS..Hα-helixtrans-62.2-49.1174.6-71.2-175.9166.100111.7L8 L12 R13 T18 S19 E20L8-E16 HydrophobicContact CD1-CG 4.38Å; L8-E16 WeakPolarHBondContact CD1-OE1 3.49Å; L8-E16 WeakPolarHBondContact CD1-OE2 3.01Å; L12-E16 PolarHBondContact O-N 3.07Å; R13-E16 IonicContact NH1-OE2 2.71Å; R13-E16 PolarHBondContact NH1-OE2 3.25Å; R13-E16 PolarHBondContact O-N 3.41Å; E16-T18 VanDerWaalsContact C-N 3.26Å; E16-T18 PolarHBondContact O-N 3.34Å; E16-S19 PolarHBondContact O-N 3.07Å; E16-S19 VanDerWaalsContact O-N 3.1Å; E16-E20 WeakPolarHBondContact O-CB 3.44Å; E16-E20 VanDerWaalsContact O-CG 3.31Å; E16-E20 WeakPolarHBondContact O-CG 3.45Å; E16-E20 PolarHBondContact O-N 3.35Å
17I94.8Very high93.4Very high0 Ų063.9 Ų63.90%032%0.318CS..Hα-helixtrans-54.7-45.9177.1-68.5166.4000110.5R13 L14 A21 E56 F59 R60 L111 L115R13-I17 HydrophobicContact CG-CD1 3.98Å; R13-I17 VanDerWaalsContact O-CG1 3.29Å; R13-I17 WeakPolarHBondContact O-CG1 3.28Å; R13-I17 PolarHBondContact O-N 3.31Å; L14-I17 PolarHBondContact O-N 3.23Å; I17-A21 VanDerWaalsContact O-CB 3.28Å; I17-A21 WeakPolarHBondContact O-CB 3.09Å; I17-A21 PolarHBondContact O-N 3.21Å; I17-E56 HydrophobicContact CD1-CG 4.07Å; I17-E56 HydrophobicContact CG1-CG 4.47Å; I17-E56 HydrophobicContact CG2-CG 4.09Å; I17-F59 HydrophobicContact CG2-CD1 3.83Å; I17-F59 HydrophobicContact CG2-CE1 4Å; I17-R60 HydrophobicContact CG2-CG 3.85Å; I17-L111 HydrophobicContact CD1-CD2 4.17Å; I17-L111 HydrophobicContact CG2-CD2 4.13Å; I17-L115 HydrophobicContact CD1-CD1 4.11Å
18T96.1Very high93.9Very high39 Ų3965.2 Ų65.224%0.23933%0.327CS..Hα-helixtrans-63.5-46.7177.9-53.50000110.9L14 K15 E16 E20 A21 S22 F59L14-T18 WeakPolarHBondContact O-CB 3.12Å; L14-T18 PolarHBondContact O-N 2.93Å; L14-T18 PolarHBondContact O-OG1 3.12Å; K15-T18 PolarHBondContact O-N 3.23Å; E16-T18 VanDerWaalsContact C-N 3.26Å; E16-T18 PolarHBondContact O-N 3.34Å; T18-E20 PolarHBondContact O-N 3Å; T18-A21 PolarHBondContact O-N 2.99Å; T18-S22 WeakPolarHBondContact O-CB 3.46Å; T18-S22 PolarHBondContact O-N 3.43Å; T18-S22 PolarHBondContact O-OG 3.24Å; T18-F59 HydrophobicContact CG2-CZ 4.42Å
19S95.9Very high94.1Very high80 Ų8064.6 Ų64.656%0.55932%0.324SS*.Hα-helixtrans-62.6-43.5179.4-1710000112.4K15 E16 A21 S22 N23K15-S19 WeakPolarHBondContact O-CB 3.39Å; K15-S19 PolarHBondContact O-N 3.32Å; E16-S19 PolarHBondContact O-N 3.07Å; E16-S19 VanDerWaalsContact O-N 3.1Å; S19-A21 VanDerWaalsContact C-N 3.32Å; S19-S22 PolarHBondContact O-N 3.02Å; S19-N23 VanDerWaalsContact O-CB 3.28Å; S19-N23 WeakPolarHBondContact O-CB 3.26Å; S19-N23 PolarHBondContact O-N 3.24Å
20E92.7Very high94Very high82 Ų8258.9 Ų58.938%0.38330%0.299SS..Hα-helixtrans-67.9-31.2177-71.8171.6-170.500112.5E16 T18 R60 R64E16-E20 WeakPolarHBondContact O-CB 3.44Å; E16-E20 VanDerWaalsContact O-CG 3.31Å; E16-E20 WeakPolarHBondContact O-CG 3.45Å; E16-E20 PolarHBondContact O-N 3.35Å; T18-E20 PolarHBondContact O-N 3Å; E20-R60 VanDerWaalsContact CB-NH1 3.34Å; E20-R60 IonicContact OE2-CZ 3.56Å; E20-R60 IonicContact OE2-NH1 3.42Å; E20-R60 PolarHBondContact OE2-NH1 3.09Å; E20-R60 IonicContact OE2-NH2 3.18Å; E20-R60 PolarHBondContact OE2-NH2 3.46Å; E20-R64 PolarHBondContact O-NH2 3.15Å; E20-R64 VanDerWaalsContact O-NH2 3.1Å
21A93.9Very high93.8Very high0 Ų060.2 Ų60.20%031%0.309CS..Hα-helixtrans-73.5-44174.200000111.2I17 T18 S19 N23 R60 T63 R64I17-A21 VanDerWaalsContact O-CB 3.28Å; I17-A21 WeakPolarHBondContact O-CB 3.09Å; I17-A21 PolarHBondContact O-N 3.21Å; T18-A21 PolarHBondContact O-N 2.99Å; S19-A21 VanDerWaalsContact C-N 3.32Å; A21-N23 VanDerWaalsContact C-N 3.31Å; A21-N23 PolarHBondContact O-N 2.92Å; A21-R60 HydrophobicContact CB-CB 4.17Å; A21-R60 HydrophobicContact CB-CG 4.13Å; A21-T63 HydrophobicContact CB-CG2 3.71Å; A21-R64 WeakPolarHBondContact O-CG 3.46Å
22S94.7Very high93.6Very high46 Ų4653.2 Ų53.232%0.32228%0.278SS..Hα-helixtrans-73.1-21.5179.6-60.60000113.7T18 S19 I24T18-S22 WeakPolarHBondContact O-CB 3.46Å; T18-S22 PolarHBondContact O-N 3.43Å; T18-S22 PolarHBondContact O-OG 3.24Å; S19-S22 PolarHBondContact O-N 3.02Å; S22-I24 PolarHBondContact O-N 3.39Å
23N93.1Very high93.3Very high122 Ų12254.7 Ų54.765%0.65228%0.281SS*.  trans-7984.1178.3-172.739.3000111.7S19 A21S19-N23 VanDerWaalsContact O-CB 3.28Å; S19-N23 WeakPolarHBondContact O-CB 3.26Å; S19-N23 PolarHBondContact O-N 3.24Å; A21-N23 VanDerWaalsContact C-N 3.31Å; A21-N23 PolarHBondContact O-N 2.92Å
24I91.4Very high93.1Very high15 Ų1554.1 Ų54.18%0.07728%0.28CS..  trans-93.7124.3177.6-57.9-178.5000109.6S22 F26 R64 V67 L68 M298S22-I24 PolarHBondContact O-N 3.39Å; I24-F26 PolarHBondContact O-N 3.48Å; I24-R64 HydrophobicContact CD1-CB 4.08Å; I24-R64 HydrophobicContact CD1-CG 4.29Å; I24-R64 WeakPolarHBondContact CD1-O 3.23Å; I24-R64 HydrophobicContact CG1-CG 4.18Å; I24-V67 HydrophobicContact CD1-CB 3.92Å; I24-V67 HydrophobicContact CD1-CG1 3.84Å; I24-V67 HydrophobicContact CG1-CG1 4.26Å; I24-L68 HydrophobicContact CD1-CB 3.86Å; I24-M298 HydrophobicContact CG2-CE 3.37Å; I24-M298 HydrophobicContact CG2-SD 4.03Å
25E91.5Very high92.9Very high81 Ų8153.6 Ų53.638%0.37928%0.278SS..  trans-69.9119.1167.5-71.9-167.1-173.100110.2Y27 L297E25-Y27 HydrophobicContact CB-CE2 3.93Å; E25-Y27 PolarHBondContact OE2-OH 3.22Å; E25-L297 HydrophobicContact CB-CD2 3.84Å; E25-L297 WeakPolarHBondContact OE2-CD2 3.34Å
26F92.7Very high92.6Very high39 Ų3947.7 Ų47.717%0.17126%0.257CS..  trans-135.3120.4-175.1-175.2-92.4000111.3I24 Y35 L68 H72 H76I24-F26 PolarHBondContact O-N 3.48Å; F26-Y35 AromaticContact CD2-CD1 3.94Å; F26-Y35 HydrophobicContact CD2-CD1 3.94Å; F26-Y35 HydrophobicContact CD2-CD2 4.27Å; F26-Y35 AromaticContact CD2-CE1 3.58Å; F26-Y35 HydrophobicContact CD2-CE1 3.58Å; F26-Y35 AromaticContact CD2-CE2 3.92Å; F26-Y35 HydrophobicContact CD2-CE2 3.92Å; F26-Y35 HydrophobicContact CD2-CG 4.28Å; F26-Y35 AromaticContact CD2-CZ 3.58Å; F26-Y35 AromaticContact CE2-CD1 3.99Å; F26-Y35 HydrophobicContact CE2-CD1 3.99Å; F26-Y35 AromaticContact CE2-CD2 3.65Å; F26-Y35 HydrophobicContact CE2-CD2 3.65Å; F26-Y35 AromaticContact CE2-CE1 3.97Å; F26-Y35 HydrophobicContact CE2-CE1 3.97Å; F26-Y35 AromaticContact CE2-CE2 3.6Å; F26-Y35 HydrophobicContact CE2-CE2 3.6Å; F26-Y35 AromaticContact CE2-CG 3.84Å; F26-Y35 HydrophobicContact CE2-CG 3.84Å; F26-Y35 AromaticContact CE2-CZ 3.78Å; F26-Y35 HydrophobicContact CG-CE1 4.49Å; F26-Y35 HydrophobicContact CZ-CD2 4.32Å; F26-Y35 HydrophobicContact CZ-CE2 4.16Å; F26-L68 HydrophobicContact CD2-CD1 4.03Å; F26-L68 HydrophobicContact CE2-CD1 4.16Å; F26-H72 WeakPolarHBondContact CB-CD2 3.16Å; F26-H72 HydrophobicContact CD1-CB 4.31Å; F26-H72 HydrophobicContact CD2-CB 3.69Å; F26-H72 HydrophobicContact CE1-CB 4.4Å; F26-H72 HydrophobicContact CE2-CB 3.8Å; F26-H72 HydrophobicContact CG-CB 3.94Å; F26-H72 AromaticContact CG-CD2 3.61Å; F26-H72 HydrophobicContact CZ-CB 4.14Å; F26-H76 HydrophobicContact CE1-CB 4.48Å; F26-H76 AromaticContact CE1-CD2 3.86Å; F26-H76 HydrophobicContact CZ-CB 3.95Å; F26-H76 AromaticContact CZ-CD2 3.45Å; F26-H76 VanDerWaalsContact CZ-CD2 3.45Å; F26-H76 WeakPolarHBondContact CZ-CD2 3.34Å
27Y94.1Very high92.3Very high26 Ų2646.5 Ų46.510%0.10225%0.249CC..  trans-116.1118.5-175.8-56.7-79.3000110.9E25 N29 I30 Y35 L297 G329 E330E25-Y27 HydrophobicContact CB-CE2 3.93Å; E25-Y27 PolarHBondContact OE2-OH 3.22Å; Y27-N29 WeakPolarHBondContact CB-OD1 3.04Å; Y27-N29 PolarHBondContact O-N 3.38Å; Y27-N29 VanDerWaalsContact O-N 3.13Å; Y27-I30 HydrophobicContact CD2-CD1 4.08Å; Y27-I30 HydrophobicContact CG-CD1 4.5Å; Y27-I30 PolarHBondContact O-N 3.05Å; Y27-I30 VanDerWaalsContact O-N 3.17Å; Y27-Y35 PolarHBondContact N-OH 3.44Å; Y27-Y35 PolarHBondContact O-OH 3.02Å; Y27-L297 HydrophobicContact CD2-CD1 3.81Å; Y27-L297 HydrophobicContact CE2-CD1 3.96Å; Y27-L297 HydrophobicContact CE2-CD2 3.86Å; Y27-G329 VanDerWaalsContact CB-O 3.27Å; Y27-G329 WeakPolarHBondContact CB-O 3.32Å; Y27-G329 VanDerWaalsContact CD1-C 3.41Å; Y27-G329 WeakPolarHBondContact CD1-O 2.95Å; Y27-G329 VanDerWaalsContact CG-O 3.29Å; Y27-E330 HydrophobicContact CD1-CG 4.1Å; Y27-E330 HydrophobicContact CE1-CG 3.66Å
28P92.6Very high92.1Very high76 Ų7647 Ų4749%0.49425%0.252SS..THydrogen-bonded Turntrans-65-10.5-177-25.835.3000116.9H76 P77P28-H76 PolarHBondContact O-NE2 3.41Å; P28-P77 HydrophobicContact CB-CG 3.9Å
29N90.4Very high91.9Very high61 Ų6145.1 Ų45.133%0.32624%0.241SC..THydrogen-bonded Turntrans-90.7-1317852.3-68.2000112.7Y27 G329 C331 K332Y27-N29 WeakPolarHBondContact CB-OD1 3.04Å; Y27-N29 PolarHBondContact O-N 3.38Å; Y27-N29 VanDerWaalsContact O-N 3.13Å; N29-G329 PolarHBondContact ND2-O 3.49Å; N29-G329 PolarHBondContact OD1-O 2.72Å; N29-C331 PolarHBondContact ND2-O 3.41Å; N29-K332 HydrophobicContact CB-CG 4.46Å
30I91.9Very high91.6Very high10 Ų1042.4 Ų42.45%0.05122%0.224CC..SBendtrans-83.6125.5171.8-62.8179.7000107.6Y27 I32 K34 Y35 H76 L297Y27-I30 HydrophobicContact CD2-CD1 4.08Å; Y27-I30 HydrophobicContact CG-CD1 4.5Å; Y27-I30 PolarHBondContact O-N 3.05Å; Y27-I30 VanDerWaalsContact O-N 3.17Å; I30-I32 PolarHBondContact O-N 3.48Å; I30-K34 HydrophobicContact CG2-CB 4.01Å; I30-K34 HydrophobicContact CG2-CD 3.83Å; I30-Y35 HydrophobicContact CB-CE2 3.74Å; I30-Y35 HydrophobicContact CG2-CD2 4.38Å; I30-Y35 HydrophobicContact CG2-CE2 3.84Å; I30-Y35 WeakPolarHBondContact O-CE2 3.41Å; I30-H76 PolarHBondContact O-NE2 2.96Å; I30-L297 HydrophobicContact CD1-CD1 3.64Å
31S90.9Very high91.3Very high37 Ų3739.9 Ų39.926%0.25921%0.212SC..  trans-52.8140.1-177.2178.40000112.7K33 K34 E78S31-K33 PolarHBondContact O-N 3.27Å; S31-K33 VanDerWaalsContact O-N 3.15Å; S31-K33 PolarHBondContact OG-N 2.89Å; S31-K34 WeakPolarHBondContact O-CB 3.44Å; S31-K34 PolarHBondContact O-N 3.08Å; S31-E78 WeakPolarHBondContact CA-OE2 3.44Å; S31-E78 PolarHBondContact OG-OE2 2.93Å; S31-E78 VanDerWaalsContact OG-OE2 3.07Å
32I92.1Very high91.2Very high5 Ų540.4 Ų40.43%0.02621%0.214CC..Hα-helixtrans-57.7-31179.3-168148.4000113.3I30 K34 Y35 A36 L73 H76 E78 F79 F82I30-I32 PolarHBondContact O-N 3.48Å; I32-K34 VanDerWaalsContact C-N 3.25Å; I32-K34 PolarHBondContact O-N 3.17Å; I32-Y35 PolarHBondContact O-N 3.4Å; I32-A36 PolarHBondContact O-N 2.75Å; I32-L73 HydrophobicContact CD1-CD2 3.65Å; I32-L73 HydrophobicContact CG1-CD2 3.41Å; I32-L73 VanDerWaalsContact CG1-CD2 3.41Å; I32-H76 HydrophobicContact CD1-CB 3.82Å; I32-E78 HydrophobicContact CB-CB 4.13Å; I32-E78 HydrophobicContact CG2-CB 3.77Å; I32-E78 WeakPolarHBondContact CG2-OE2 3.46Å; I32-E78 PolarHBondContact N-OE2 3.18Å; I32-F79 HydrophobicContact CD1-CB 3.94Å; I32-F79 HydrophobicContact CD1-CD2 3.97Å; I32-F79 HydrophobicContact CD1-CG 4.48Å; I32-F82 HydrophobicContact CB-CE1 4.33Å; I32-F82 HydrophobicContact CD1-CE1 3.4Å; I32-F82 HydrophobicContact CD1-CZ 3.37Å; I32-F82 HydrophobicContact CG1-CE1 3.8Å; I32-F82 HydrophobicContact CG1-CZ 3.86Å; I32-F82 HydrophobicContact CG2-CE1 3.67Å
33K88.3Confident91.1Very high121 Ų12141.4 Ų41.453%0.52621%0.213SC..Hα-helixtrans-59.9-38.6176.8-67-174.6177.3-175.50111.5S31 A36 R37 E86S31-K33 PolarHBondContact O-N 3.27Å; S31-K33 VanDerWaalsContact O-N 3.15Å; S31-K33 PolarHBondContact OG-N 2.89Å; K33-A36 PolarHBondContact O-N 3.01Å; K33-R37 WeakPolarHBondContact O-CB 3.28Å; K33-R37 PolarHBondContact O-N 2.72Å; K33-E86 WeakPolarHBondContact CE-OE1 2.93Å; K33-E86 IonicContact NZ-OE1 2.78Å; K33-E86 PolarHBondContact NZ-OE1 2.91Å
34K90.2Very high91Very high57 Ų5739 Ų3925%0.24820%0.195CC..Hα-helixtrans-65.3-42.8177.5-66.7177.1163.9-170.70111I30 S31 I32 S38 H290I30-K34 HydrophobicContact CG2-CB 4.01Å; I30-K34 HydrophobicContact CG2-CD 3.83Å; S31-K34 WeakPolarHBondContact O-CB 3.44Å; S31-K34 PolarHBondContact O-N 3.08Å; I32-K34 VanDerWaalsContact C-N 3.25Å; I32-K34 PolarHBondContact O-N 3.17Å; K34-S38 PolarHBondContact O-N 3.02Å; K34-S38 PolarHBondContact O-OG 3.47Å; K34-S38 VanDerWaalsContact O-OG 3.07Å; K34-H290 PolarHBondContact NZ-O 3.3Å
35Y93Very high91Very high4 Ų438.6 Ų38.62%0.01619%0.193CC..Hα-helixtrans-66.7-41.1174.5-71.2-67.6000113F26 Y27 I30 I32 S38 A39 L68F26-Y35 AromaticContact CD2-CD1 3.94Å; F26-Y35 HydrophobicContact CD2-CD1 3.94Å; F26-Y35 HydrophobicContact CD2-CD2 4.27Å; F26-Y35 AromaticContact CD2-CE1 3.58Å; F26-Y35 HydrophobicContact CD2-CE1 3.58Å; F26-Y35 AromaticContact CD2-CE2 3.92Å; F26-Y35 HydrophobicContact CD2-CE2 3.92Å; F26-Y35 HydrophobicContact CD2-CG 4.28Å; F26-Y35 AromaticContact CD2-CZ 3.58Å; F26-Y35 AromaticContact CE2-CD1 3.99Å; F26-Y35 HydrophobicContact CE2-CD1 3.99Å; F26-Y35 AromaticContact CE2-CD2 3.65Å; F26-Y35 HydrophobicContact CE2-CD2 3.65Å; F26-Y35 AromaticContact CE2-CE1 3.97Å; F26-Y35 HydrophobicContact CE2-CE1 3.97Å; F26-Y35 AromaticContact CE2-CE2 3.6Å; F26-Y35 HydrophobicContact CE2-CE2 3.6Å; F26-Y35 AromaticContact CE2-CG 3.84Å; F26-Y35 HydrophobicContact CE2-CG 3.84Å; F26-Y35 AromaticContact CE2-CZ 3.78Å; F26-Y35 HydrophobicContact CG-CE1 4.49Å; F26-Y35 HydrophobicContact CZ-CD2 4.32Å; F26-Y35 HydrophobicContact CZ-CE2 4.16Å; Y27-Y35 PolarHBondContact N-OH 3.44Å; Y27-Y35 PolarHBondContact O-OH 3.02Å; I30-Y35 HydrophobicContact CB-CE2 3.74Å; I30-Y35 HydrophobicContact CG2-CD2 4.38Å; I30-Y35 HydrophobicContact CG2-CE2 3.84Å; I30-Y35 WeakPolarHBondContact O-CE2 3.41Å; I32-Y35 PolarHBondContact O-N 3.4Å; Y35-S38 PolarHBondContact O-N 3.22Å; Y35-A39 WeakPolarHBondContact O-CB 3.03Å; Y35-A39 PolarHBondContact O-N 3.2Å; Y35-L68 HydrophobicContact CD1-CD1 4Å; Y35-L68 HydrophobicContact CG-CD1 4.46Å
36A90.1Very high91.1Very high25 Ų2534.7 Ų34.721%0.20718%0.175CC..Hα-helixtrans-60.5-45.7176.900000111.5I32 K33 S38 A39 A40 M93I32-A36 PolarHBondContact O-N 2.75Å; K33-A36 PolarHBondContact O-N 3.01Å; A36-S38 VanDerWaalsContact C-N 3.34Å; A36-S38 PolarHBondContact O-N 2.66Å; A36-A39 WeakPolarHBondContact O-CB 3.49Å; A36-A39 PolarHBondContact O-N 3.25Å; A36-A40 PolarHBondContact O-N 3.35Å; A36-M93 HydrophobicContact CB-CE 4.05Å
37R87.9Confident91.1Very high50 Ų5033.8 Ų33.819%0.18918%0.177CC..Hα-helixtrans-56.4-48.4172.5178.8178.762.6179.37.7111.2K33 A39 A40 Q41 E256 S294 Y295K33-R37 WeakPolarHBondContact O-CB 3.28Å; K33-R37 PolarHBondContact O-N 2.72Å; R37-A39 VanDerWaalsContact C-N 3.33Å; R37-A39 PolarHBondContact O-N 2.94Å; R37-A40 PolarHBondContact O-N 3.36Å; R37-Q41 WeakPolarHBondContact O-CG 3.23Å; R37-Q41 PolarHBondContact O-N 2.92Å; R37-Q41 VanDerWaalsContact O-N 3.13Å; R37-E256 IonicContact CZ-OE1 3.95Å; R37-E256 IonicContact NH1-OE1 3.25Å; R37-E256 PolarHBondContact NH1-OE1 2.74Å; R37-S294 PolarHBondContact NH2-OG 2.9Å; R37-Y295 PolarHBondContact NH1-OH 2.71Å
38S89.9Confident91Very high10 Ų1033.7 Ų33.77%0.0718%0.179CC..Hα-helixtrans-66.1-33.5179.2-60.30000113.3K34 Y35 A36 Q41 L42 S294K34-S38 PolarHBondContact O-N 3.02Å; K34-S38 PolarHBondContact O-OG 3.47Å; K34-S38 VanDerWaalsContact O-OG 3.07Å; Y35-S38 PolarHBondContact O-N 3.22Å; A36-S38 VanDerWaalsContact C-N 3.34Å; A36-S38 PolarHBondContact O-N 2.66Å; S38-Q41 PolarHBondContact O-N 3.49Å; S38-L42 VanDerWaalsContact O-CB 3.24Å; S38-L42 WeakPolarHBondContact O-CB 3.46Å; S38-L42 PolarHBondContact O-N 3.17Å; S38-S294 PolarHBondContact OG-O 3.34Å
39A92.6Very high91Very high0 Ų030.2 Ų30.20%016%0.156CC..Hα-helixtrans-62.4-45.8173.500000111.3Y35 A36 R37 Q41 L42 F43 Y65 L68 L69 M93Y35-A39 WeakPolarHBondContact O-CB 3.03Å; Y35-A39 PolarHBondContact O-N 3.2Å; A36-A39 WeakPolarHBondContact O-CB 3.49Å; A36-A39 PolarHBondContact O-N 3.25Å; R37-A39 VanDerWaalsContact C-N 3.33Å; R37-A39 PolarHBondContact O-N 2.94Å; A39-Q41 VanDerWaalsContact C-N 3.33Å; A39-Q41 PolarHBondContact O-N 2.91Å; A39-L42 PolarHBondContact O-N 3.32Å; A39-F43 PolarHBondContact O-N 2.86Å; A39-Y65 HydrophobicContact CB-CD2 4.19Å; A39-Y65 HydrophobicContact CB-CE2 4.25Å; A39-Y65 VanDerWaalsContact O-CD2 3.23Å; A39-Y65 WeakPolarHBondContact O-CD2 3.36Å; A39-L68 HydrophobicContact CB-CD2 3.78Å; A39-L69 HydrophobicContact CB-CD2 4.45Å; A39-L69 HydrophobicContact CB-CG 4.41Å; A39-M93 HydrophobicContact CB-SD 4.2Å
40A88.7Confident91.2Very high24 Ų2430.1 Ų30.120%0.19815%0.153CC..Hα-helixtrans-59.6-43.3176.600000111.9A36 R37 F43 Y44 F260A36-A40 PolarHBondContact O-N 3.35Å; R37-A40 PolarHBondContact O-N 3.36Å; A40-F43 PolarHBondContact O-N 3.16Å; A40-Y44 PolarHBondContact O-N 3.11Å; A40-Y44 VanDerWaalsContact O-N 3.12Å; A40-F260 HydrophobicContact CB-CE2 4.35Å
41Q87Confident91.1Very high29 Ų2937 Ų3714%0.13619%0.189CC..Hα-helixtrans-63.9-41.6176.3-64.8-61.9-48.300112.1R37 S38 A39 Y44 I45 T270R37-Q41 WeakPolarHBondContact O-CG 3.23Å; R37-Q41 PolarHBondContact O-N 2.92Å; R37-Q41 VanDerWaalsContact O-N 3.13Å; S38-Q41 PolarHBondContact O-N 3.49Å; A39-Q41 VanDerWaalsContact C-N 3.33Å; A39-Q41 PolarHBondContact O-N 2.91Å; Q41-Y44 PolarHBondContact O-N 2.96Å; Q41-I45 WeakPolarHBondContact O-CB 3.37Å; Q41-I45 WeakPolarHBondContact O-CG2 3.39Å; Q41-I45 PolarHBondContact O-N 2.86Å; Q41-T270 VanDerWaalsContact CD-OG1 3.24Å; Q41-T270 PolarHBondContact NE2-OG1 2.99Å; Q41-T270 PolarHBondContact OE1-OG1 2.85Å
42L92.1Very high90.9Very high10 Ų1039.2 Ų39.25%0.05220%0.198CC..Hα-helixtrans-66.3-37-179.9-175.164.6000112.7S38 A39 I45 A46 S61 R64 Y65S38-L42 VanDerWaalsContact O-CB 3.24Å; S38-L42 WeakPolarHBondContact O-CB 3.46Å; S38-L42 PolarHBondContact O-N 3.17Å; A39-L42 PolarHBondContact O-N 3.32Å; L42-I45 HydrophobicContact CD1-CG2 4.26Å; L42-I45 WeakPolarHBondContact O-CG2 3.31Å; L42-A46 VanDerWaalsContact O-CB 3.32Å; L42-A46 WeakPolarHBondContact O-CB 3.4Å; L42-A46 PolarHBondContact O-N 2.93Å; L42-A46 VanDerWaalsContact O-N 3.07Å; L42-S61 WeakPolarHBondContact CG-O 3.4Å; L42-R64 HydrophobicContact CD1-CB 4.42Å; L42-R64 HydrophobicContact CD2-CB 3.43Å; L42-R64 VanDerWaalsContact CD2-CB 3.43Å; L42-R64 HydrophobicContact CG-CB 4.41Å; L42-Y65 VanDerWaalsContact CD2-N 3.25Å
43F93.2Very high90.9Very high68 Ų6844 Ų4430%0.29822%0.224SC..Hα-helixtrans-65.3-46.7172.9-175.8-102.7000111.4A39 A40 A46 G47 Y62 Y65 A96 A100A39-F43 PolarHBondContact O-N 2.86Å; A40-F43 PolarHBondContact O-N 3.16Å; F43-A46 WeakPolarHBondContact O-CB 3.4Å; F43-A46 PolarHBondContact O-N 3.42Å; F43-G47 PolarHBondContact O-N 3.34Å; F43-Y62 HydrophobicContact CD2-CD1 4.24Å; F43-Y62 AromaticContact CD2-CE1 3.98Å; F43-Y62 HydrophobicContact CD2-CE1 3.98Å; F43-Y62 HydrophobicContact CE2-CD1 4.35Å; F43-Y62 AromaticContact CE2-CE1 3.83Å; F43-Y62 HydrophobicContact CE2-CE1 3.83Å; F43-Y65 HydrophobicContact CB-CD2 3.72Å; F43-Y65 HydrophobicContact CB-CE2 3.63Å; F43-Y65 HydrophobicContact CB-CG 4.2Å; F43-Y65 AromaticContact CD2-CD1 3.84Å; F43-Y65 HydrophobicContact CD2-CD1 3.84Å; F43-Y65 HydrophobicContact CD2-CD2 4.44Å; F43-Y65 AromaticContact CD2-CE1 3.6Å; F43-Y65 HydrophobicContact CD2-CE1 3.6Å; F43-Y65 HydrophobicContact CD2-CE2 4.21Å; F43-Y65 HydrophobicContact CD2-CG 4.25Å; F43-Y65 AromaticContact CD2-CZ 3.79Å; F43-Y65 HydrophobicContact CE2-CE1 4.22Å; F43-Y65 HydrophobicContact CG-CE1 4.36Å; F43-Y65 HydrophobicContact CG-CE2 4.18Å; F43-A96 HydrophobicContact CE1-CB 4.39Å; F43-A96 HydrophobicContact CE2-CB 4.07Å; F43-A96 HydrophobicContact CZ-CB 3.96Å; F43-A100 HydrophobicContact CD2-CB 4.37Å; F43-A100 HydrophobicContact CE2-CB 4.06Å
44Y90.4Very high91.1Very high72 Ų7241.1 Ų41.128%0.28221%0.214SC..Hα-helixtrans-60.5-48.9178.8-176-84.3000111.6A40 Q41 A46 G47 V48 G267 I269A40-Y44 PolarHBondContact O-N 3.11Å; A40-Y44 VanDerWaalsContact O-N 3.12Å; Q41-Y44 PolarHBondContact O-N 2.96Å; Y44-A46 VanDerWaalsContact C-N 3.29Å; Y44-A46 PolarHBondContact O-N 3.08Å; Y44-G47 PolarHBondContact O-N 3.41Å; Y44-V48 HydrophobicContact CD1-CG2 4.04Å; Y44-V48 HydrophobicContact CE1-CG2 3.58Å; Y44-V48 PolarHBondContact O-N 3.34Å; Y44-V48 VanDerWaalsContact O-N 3.1Å; Y44-G267 WeakPolarHBondContact OH-CA 3.39Å; Y44-G267 PolarHBondContact OH-O 3.13Å; Y44-I269 HydrophobicContact CD1-CG1 3.62Å; Y44-I269 HydrophobicContact CE1-CD1 4.36Å; Y44-I269 HydrophobicContact CE1-CG1 3.51Å
45I91Very high91.3Very high5 Ų538.6 Ų38.63%0.02620%0.204CC..Hα-helixtrans-67-30.4-179.1-157.7173.9000112.5Q41 L42 G47 V48 Y49 F234 I269 F299Q41-I45 WeakPolarHBondContact O-CB 3.37Å; Q41-I45 WeakPolarHBondContact O-CG2 3.39Å; Q41-I45 PolarHBondContact O-N 2.86Å; L42-I45 HydrophobicContact CD1-CG2 4.26Å; L42-I45 WeakPolarHBondContact O-CG2 3.31Å; I45-G47 VanDerWaalsContact C-N 3.34Å; I45-V48 PolarHBondContact O-N 3.48Å; I45-Y49 HydrophobicContact CB-CE2 4.38Å; I45-Y49 HydrophobicContact CD1-CE2 4.04Å; I45-Y49 WeakPolarHBondContact CD1-OH 3.29Å; I45-Y49 HydrophobicContact CG1-CD2 4.37Å; I45-Y49 HydrophobicContact CG1-CE1 4.42Å; I45-Y49 HydrophobicContact CG1-CE2 3.66Å; I45-Y49 HydrophobicContact CG2-CE2 4.1Å; I45-Y49 WeakPolarHBondContact O-CD2 3.44Å; I45-Y49 PolarHBondContact O-N 3.17Å; I45-F234 HydrophobicContact CD1-CE1 3.88Å; I45-F234 HydrophobicContact CD1-CZ 3.93Å; I45-I269 HydrophobicContact CD1-CD1 4.36Å; I45-I269 HydrophobicContact CD1-CG2 4.2Å; I45-I269 HydrophobicContact CG1-CD1 3.97Å; I45-F299 HydrophobicContact CD1-CD2 3.95Å; I45-F299 HydrophobicContact CD1-CE2 3.36Å; I45-F299 HydrophobicContact CD1-CZ 4.21Å
46A94.4Very high91.4Very high0 Ų040.7 Ų40.70%021%0.214CC..Hα-helixtrans-60-45.5172.600000111.4L42 F43 Y44 V48 Y49 E50 Y62L42-A46 VanDerWaalsContact O-CB 3.32Å; L42-A46 WeakPolarHBondContact O-CB 3.4Å; L42-A46 PolarHBondContact O-N 2.93Å; L42-A46 VanDerWaalsContact O-N 3.07Å; F43-A46 WeakPolarHBondContact O-CB 3.4Å; F43-A46 PolarHBondContact O-N 3.42Å; Y44-A46 VanDerWaalsContact C-N 3.29Å; Y44-A46 PolarHBondContact O-N 3.08Å; A46-V48 VanDerWaalsContact C-N 3.33Å; A46-V48 PolarHBondContact O-N 3.01Å; A46-Y49 PolarHBondContact O-N 3.33Å; A46-E50 PolarHBondContact O-N 2.81Å; A46-Y62 HydrophobicContact CB-CD1 3.58Å; A46-Y62 HydrophobicContact CB-CD2 3.75Å; A46-Y62 HydrophobicContact CB-CE1 3.57Å; A46-Y62 HydrophobicContact CB-CE2 3.76Å; A46-Y62 HydrophobicContact CB-CG 3.67Å
47G93.2Very high91.6Very high20 Ų2041.5 Ų41.521%0.20621%0.214CC..Hα-helixtrans-62.5-37.5174.300000112.9F43 Y44 I45 E50 L51F43-G47 PolarHBondContact O-N 3.34Å; Y44-G47 PolarHBondContact O-N 3.41Å; I45-G47 VanDerWaalsContact C-N 3.34Å; G47-E50 WeakPolarHBondContact O-CB 3.41Å; G47-E50 PolarHBondContact O-N 3.1Å; G47-L51 WeakPolarHBondContact O-CG 3.35Å; G47-L51 PolarHBondContact O-N 3.24Å
48V90.7Very high92Very high24 Ų2439.1 Ų39.115%0.14521%0.205CC..Hα-helixtrans-63.7-44.7174.3175.90000111.5Y44 I45 A46 E50 L51 D52 L229 I269Y44-V48 HydrophobicContact CD1-CG2 4.04Å; Y44-V48 HydrophobicContact CE1-CG2 3.58Å; Y44-V48 PolarHBondContact O-N 3.34Å; Y44-V48 VanDerWaalsContact O-N 3.1Å; I45-V48 PolarHBondContact O-N 3.48Å; A46-V48 VanDerWaalsContact C-N 3.33Å; A46-V48 PolarHBondContact O-N 3.01Å; V48-E50 VanDerWaalsContact C-N 3.28Å; V48-E50 PolarHBondContact O-N 3.3Å; V48-L51 PolarHBondContact O-N 3.41Å; V48-D52 PolarHBondContact O-N 3.11Å; V48-L229 HydrophobicContact CG1-CB 3.95Å; V48-L229 HydrophobicContact CG1-CD2 4.12Å; V48-I269 HydrophobicContact CG1-CD1 4.48Å; V48-I269 HydrophobicContact CG2-CD1 4.28Å
49Y93.3Very high92.3Very high2 Ų239 Ų391%0.00820%0.203CC..Hα-helixtrans-62.4-37.2175.5-67.6-45.7000112.9I45 A46 D52 N53 N54 M57 S61 R195 L229 F234I45-Y49 HydrophobicContact CB-CE2 4.38Å; I45-Y49 HydrophobicContact CD1-CE2 4.04Å; I45-Y49 WeakPolarHBondContact CD1-OH 3.29Å; I45-Y49 HydrophobicContact CG1-CD2 4.37Å; I45-Y49 HydrophobicContact CG1-CE1 4.42Å; I45-Y49 HydrophobicContact CG1-CE2 3.66Å; I45-Y49 HydrophobicContact CG2-CE2 4.1Å; I45-Y49 WeakPolarHBondContact O-CD2 3.44Å; I45-Y49 PolarHBondContact O-N 3.17Å; A46-Y49 PolarHBondContact O-N 3.33Å; Y49-D52 CarbonylContact O-C 3.58Å; Y49-D52 PolarHBondContact O-N 3.26Å; Y49-N53 PolarHBondContact O-N 3.36Å; Y49-N53 VanDerWaalsContact O-N 3.15Å; Y49-N54 HydrophobicContact CD1-CB 4.24Å; Y49-N54 PolarHBondContact O-N 3.2Å; Y49-M57 HydrophobicContact CD1-CB 3.83Å; Y49-M57 HydrophobicContact CD2-CB 3.61Å; Y49-M57 WeakPolarHBondContact CD2-O 3.19Å; Y49-M57 HydrophobicContact CE1-CB 4.13Å; Y49-M57 HydrophobicContact CE2-CB 3.89Å; Y49-M57 HydrophobicContact CE2-CE 4.43Å; Y49-M57 HydrophobicContact CG-CB 3.61Å; Y49-S61 WeakPolarHBondContact CE2-OG 3.42Å; Y49-R195 PolarHBondContact OH-NH1 2.89Å; Y49-R195 PolarHBondContact OH-NH2 3.48Å; Y49-L229 HydrophobicContact CD1-CD2 3.54Å; Y49-L229 HydrophobicContact CE1-CD2 3.35Å; Y49-F234 WeakPolarHBondContact OH-CZ 3.44Å
50E93.6Very high92.5Very high60 Ų6039.8 Ų39.828%0.2821%0.206SC..Hα-helixtrans-62.7-45.8176.9-176.1179.7176.900111.3A46 G47 V48 D52 N53 A58 Y62 T103 R106A46-E50 PolarHBondContact O-N 2.81Å; G47-E50 WeakPolarHBondContact O-CB 3.41Å; G47-E50 PolarHBondContact O-N 3.1Å; V48-E50 VanDerWaalsContact C-N 3.28Å; V48-E50 PolarHBondContact O-N 3.3Å; E50-D52 VanDerWaalsContact C-N 3.31Å; E50-D52 PolarHBondContact O-N 3.41Å; E50-N53 PolarHBondContact O-N 2.99Å; E50-N53 VanDerWaalsContact O-N 3.08Å; E50-A58 HydrophobicContact CB-CB 4.2Å; E50-Y62 PolarHBondContact OE2-OH 3.2Å; E50-T103 WeakPolarHBondContact OE2-CG2 3.22Å; E50-R106 IonicContact OE1-CZ 2.84Å; E50-R106 IonicContact OE1-NH2 3.71Å; E50-R106 PolarHBondContact OE1-NH2 3.01Å
51L91.1Very high92.8Very high153 Ų15338.9 Ų38.980%0.80120%0.198SC*.Hα-helixtrans-63.2-36.5175.6-68.9172.7000112.6G47 V48 N53G47-L51 WeakPolarHBondContact O-CG 3.35Å; G47-L51 PolarHBondContact O-N 3.24Å; V48-L51 PolarHBondContact O-N 3.41Å; L51-N53 PolarHBondContact O-N 3.17Å
52D87.2Confident93.3Very high84 Ų8438.1 Ų38.145%0.44919%0.194SC..THydrogen-bonded Turntrans-78.53.7175.7-83.3-2.8000113.3V48 Y49 E50 N54 L229V48-D52 PolarHBondContact O-N 3.11Å; Y49-D52 CarbonylContact O-C 3.58Å; Y49-D52 PolarHBondContact O-N 3.26Å; E50-D52 VanDerWaalsContact C-N 3.31Å; E50-D52 PolarHBondContact O-N 3.41Å; D52-N54 PolarHBondContact O-N 2.73Å; D52-L229 WeakPolarHBondContact OD2-CD2 3.32Å
53N90.9Very high93.5Very high107 Ų10738.3 Ų38.357%0.57220%0.196SC*.THydrogen-bonded Turntrans5627.4-175.8-164.540.1000113.7Y49 E50 L51 V55Y49-N53 PolarHBondContact O-N 3.36Å; Y49-N53 VanDerWaalsContact O-N 3.15Å; E50-N53 PolarHBondContact O-N 2.99Å; E50-N53 VanDerWaalsContact O-N 3.08Å; L51-N53 PolarHBondContact O-N 3.17Å; N53-V55 VanDerWaalsContact C-N 3.34Å; N53-V55 PolarHBondContact O-N 2.86Å
54N91.8Very high93.6Very high59 Ų5937.9 Ų37.932%0.31619%0.192SC..  trans-88.475.3172.7-168.7-23.6000109.8Y49 D52 E56 M57 A58Y49-N54 HydrophobicContact CD1-CB 4.24Å; Y49-N54 PolarHBondContact O-N 3.2Å; D52-N54 PolarHBondContact O-N 2.73Å; N54-E56 PolarHBondContact O-N 2.73Å; N54-M57 HydrophobicContact CB-CB 4.49Å; N54-M57 PolarHBondContact O-N 2.94Å; N54-M57 WeakPolarHBondContact OD1-CB 3.45Å; N54-M57 VanDerWaalsContact OD1-CG 3.3Å; N54-M57 WeakPolarHBondContact OD1-CG 3.26Å; N54-M57 PolarHBondContact OD1-N 2.84Å; N54-A58 WeakPolarHBondContact O-CB 3.15Å; N54-A58 PolarHBondContact O-N 2.94Å
55V95.8Very high93.9Very high4 Ų434.6 Ų34.62%0.02418%0.179CC..Hα-helixtrans-59.7-44.7-169.3-178.50000112.6N53 M57 A58 F59 L107 V110 L111 Q114N53-V55 VanDerWaalsContact C-N 3.34Å; N53-V55 PolarHBondContact O-N 2.86Å; V55-M57 PolarHBondContact O-N 2.76Å; V55-A58 PolarHBondContact O-N 2.89Å; V55-F59 VanDerWaalsContact O-CB 3.3Å; V55-F59 WeakPolarHBondContact O-CB 3.22Å; V55-F59 PolarHBondContact O-N 2.73Å; V55-L107 HydrophobicContact CG1-CB 4.32Å; V55-L107 HydrophobicContact CG1-CD2 3.99Å; V55-L107 WeakPolarHBondContact CG1-O 3.26Å; V55-V110 HydrophobicContact CG1-CB 4.16Å; V55-V110 HydrophobicContact CG1-CG1 4.06Å; V55-V110 HydrophobicContact CG2-CG1 3.98Å; V55-L111 HydrophobicContact CG1-CB 3.88Å; V55-Q114 VanDerWaalsContact CG2-NE2 3.35Å
56E94.9Very high94.2Very high49 Ų4935.5 Ų35.523%0.22918%0.184CC..Hα-helixtrans-60.8-45.8179.2-175.9175.515700111.3R13 I17 N54 F59 R60 L111R13-E56 IonicContact NH2-OE1 3.2Å; I17-E56 HydrophobicContact CD1-CG 4.07Å; I17-E56 HydrophobicContact CG1-CG 4.47Å; I17-E56 HydrophobicContact CG2-CG 4.09Å; N54-E56 PolarHBondContact O-N 2.73Å; E56-F59 PolarHBondContact O-N 3.46Å; E56-R60 HydrophobicContact CG-CG 4.42Å; E56-R60 WeakPolarHBondContact O-CB 3.39Å; E56-R60 VanDerWaalsContact O-CG 3.26Å; E56-R60 WeakPolarHBondContact O-CG 3.47Å; E56-R60 PolarHBondContact O-N 3.44Å; E56-R60 IonicContact OE1-CZ 3.55Å; E56-R60 VanDerWaalsContact OE1-CZ 3.27Å; E56-R60 IonicContact OE1-NE 2.73Å; E56-R60 PolarHBondContact OE1-NE 3.13Å; E56-R60 IonicContact OE1-NH2 3.27Å; E56-R60 PolarHBondContact OE1-NH2 2.82Å; E56-L111 HydrophobicContact CB-CD1 3.82Å; E56-L111 HydrophobicContact CB-CD2 4.45Å; E56-L111 HydrophobicContact CG-CD1 4.41Å; E56-L111 HydrophobicContact CG-CD2 4.43Å
57M93.5Very high94.3Very high41 Ų4135.9 Ų35.920%0.20219%0.186CC..Hα-helixtrans-71.3-36.6-178.9-67.4-53.9-64.400112.4Y49 N54 V55 S61Y49-M57 HydrophobicContact CD1-CB 3.83Å; Y49-M57 HydrophobicContact CD2-CB 3.61Å; Y49-M57 WeakPolarHBondContact CD2-O 3.19Å; Y49-M57 HydrophobicContact CE1-CB 4.13Å; Y49-M57 HydrophobicContact CE2-CB 3.89Å; Y49-M57 HydrophobicContact CE2-CE 4.43Å; Y49-M57 HydrophobicContact CG-CB 3.61Å; N54-M57 HydrophobicContact CB-CB 4.49Å; N54-M57 PolarHBondContact O-N 2.94Å; N54-M57 WeakPolarHBondContact OD1-CB 3.45Å; N54-M57 VanDerWaalsContact OD1-CG 3.3Å; N54-M57 WeakPolarHBondContact OD1-CG 3.26Å; N54-M57 PolarHBondContact OD1-N 2.84Å; V55-M57 PolarHBondContact O-N 2.76Å; M57-S61 VanDerWaalsContact O-CB 3.26Å; M57-S61 WeakPolarHBondContact O-CB 3.25Å; M57-S61 PolarHBondContact O-N 3.33Å; M57-S61 PolarHBondContact O-OG 3.37Å
58A96.3Very high94.4Very high0 Ų034.9 Ų34.90%018%0.176CC..Hα-helixtrans-60.3-49.9172.500000110.4E50 N54 V55 R60 S61 Y62 L107E50-A58 HydrophobicContact CB-CB 4.2Å; N54-A58 WeakPolarHBondContact O-CB 3.15Å; N54-A58 PolarHBondContact O-N 2.94Å; V55-A58 PolarHBondContact O-N 2.89Å; A58-R60 PolarHBondContact O-N 2.99Å; A58-S61 PolarHBondContact O-N 3Å; A58-Y62 VanDerWaalsContact O-CD2 3.25Å; A58-Y62 WeakPolarHBondContact O-CD2 3.25Å; A58-Y62 PolarHBondContact O-N 3.4Å; A58-L107 HydrophobicContact CB-CD1 3.67Å; A58-L107 HydrophobicContact CB-CD2 4.5Å
59F97.6Very high94.6Very high7 Ų733.8 Ų33.83%0.03117%0.169CC..Hα-helixtrans-59.1-49.1178174.8-105.5000112.4I17 T18 V55 E56 S61 T63 A104 L107 K108 L111I17-F59 HydrophobicContact CG2-CD1 3.83Å; I17-F59 HydrophobicContact CG2-CE1 4Å; T18-F59 HydrophobicContact CG2-CZ 4.42Å; V55-F59 VanDerWaalsContact O-CB 3.3Å; V55-F59 WeakPolarHBondContact O-CB 3.22Å; V55-F59 PolarHBondContact O-N 2.73Å; E56-F59 PolarHBondContact O-N 3.46Å; F59-S61 VanDerWaalsContact C-N 3.29Å; F59-S61 PolarHBondContact O-N 2.84Å; F59-T63 VanDerWaalsContact O-CB 3.29Å; F59-T63 WeakPolarHBondContact O-CB 3.49Å; F59-T63 PolarHBondContact O-N 3.23Å; F59-T63 PolarHBondContact O-OG1 2.79Å; F59-A104 HydrophobicContact CD2-CB 4.41Å; F59-A104 WeakPolarHBondContact CD2-O 3.3Å; F59-L107 HydrophobicContact CB-CB 4.23Å; F59-L107 HydrophobicContact CD2-CB 4.49Å; F59-K108 HydrophobicContact CD2-CB 4.07Å; F59-K108 HydrophobicContact CE2-CB 3.69Å; F59-K108 HydrophobicContact CE2-CD 4.38Å; F59-K108 HydrophobicContact CE2-CG 4.07Å; F59-K108 HydrophobicContact CZ-CB 4.36Å; F59-K108 HydrophobicContact CZ-CG 4.25Å; F59-L111 HydrophobicContact CB-CD2 4.34Å; F59-L111 HydrophobicContact CD1-CD2 3.88Å; F59-L111 HydrophobicContact CG-CD2 4.24Å
60R95.9Very high94.7Very high18 Ų1837 Ų377%0.06819%0.189CC..Hα-helixtrans-58.2-42.5176.7-73.5173.6176-87.79.2111.8I17 E20 A21 E56 A58 R64I17-R60 HydrophobicContact CG2-CG 3.85Å; E20-R60 VanDerWaalsContact CB-NH1 3.34Å; E20-R60 IonicContact OE2-CZ 3.56Å; E20-R60 IonicContact OE2-NH1 3.42Å; E20-R60 PolarHBondContact OE2-NH1 3.09Å; E20-R60 IonicContact OE2-NH2 3.18Å; E20-R60 PolarHBondContact OE2-NH2 3.46Å; A21-R60 HydrophobicContact CB-CB 4.17Å; A21-R60 HydrophobicContact CB-CG 4.13Å; E56-R60 HydrophobicContact CG-CG 4.42Å; E56-R60 WeakPolarHBondContact O-CB 3.39Å; E56-R60 VanDerWaalsContact O-CG 3.26Å; E56-R60 WeakPolarHBondContact O-CG 3.47Å; E56-R60 PolarHBondContact O-N 3.44Å; E56-R60 IonicContact OE1-CZ 3.55Å; E56-R60 VanDerWaalsContact OE1-CZ 3.27Å; E56-R60 IonicContact OE1-NE 2.73Å; E56-R60 PolarHBondContact OE1-NE 3.13Å; E56-R60 IonicContact OE1-NH2 3.27Å; E56-R60 PolarHBondContact OE1-NH2 2.82Å; A58-R60 PolarHBondContact O-N 2.99Å; R60-R64 WeakPolarHBondContact O-CB 3.23Å; R60-R64 WeakPolarHBondContact O-CG 3.27Å; R60-R64 PolarHBondContact O-N 2.83Å
61S94.9Very high94.8Very high5 Ų538.8 Ų38.84%0.03520%0.198CC..Hα-helixtrans-70.6-47.2-176.4-56.60000112L42 Y49 M57 A58 F59 T63 R64 Y65L42-S61 WeakPolarHBondContact CG-O 3.4Å; Y49-S61 WeakPolarHBondContact CE2-OG 3.42Å; M57-S61 VanDerWaalsContact O-CB 3.26Å; M57-S61 WeakPolarHBondContact O-CB 3.25Å; M57-S61 PolarHBondContact O-N 3.33Å; M57-S61 PolarHBondContact O-OG 3.37Å; A58-S61 PolarHBondContact O-N 3Å; F59-S61 VanDerWaalsContact C-N 3.29Å; F59-S61 PolarHBondContact O-N 2.84Å; S61-T63 VanDerWaalsContact C-N 3.34Å; S61-T63 PolarHBondContact O-N 3.49Å; S61-R64 PolarHBondContact O-N 3.04Å; S61-Y65 WeakPolarHBondContact O-CB 3.49Å; S61-Y65 PolarHBondContact O-N 2.82Å
62Y97.3Very high94.9Very high13 Ų1333.2 Ų33.25%0.05117%0.167CC..Hα-helixtrans-62-41.2173.9-74.7-59.1000111.9F43 A46 E50 A58 R64 Y65 I66 A100 T103 L107F43-Y62 HydrophobicContact CD2-CD1 4.24Å; F43-Y62 AromaticContact CD2-CE1 3.98Å; F43-Y62 HydrophobicContact CD2-CE1 3.98Å; F43-Y62 HydrophobicContact CE2-CD1 4.35Å; F43-Y62 AromaticContact CE2-CE1 3.83Å; F43-Y62 HydrophobicContact CE2-CE1 3.83Å; A46-Y62 HydrophobicContact CB-CD1 3.58Å; A46-Y62 HydrophobicContact CB-CD2 3.75Å; A46-Y62 HydrophobicContact CB-CE1 3.57Å; A46-Y62 HydrophobicContact CB-CE2 3.76Å; A46-Y62 HydrophobicContact CB-CG 3.67Å; E50-Y62 PolarHBondContact OE2-OH 3.2Å; A58-Y62 VanDerWaalsContact O-CD2 3.25Å; A58-Y62 WeakPolarHBondContact O-CD2 3.25Å; A58-Y62 PolarHBondContact O-N 3.4Å; Y62-R64 PolarHBondContact O-N 3.25Å; Y62-Y65 WeakPolarHBondContact O-CB 3.28Å; Y62-Y65 PolarHBondContact O-N 3.32Å; Y62-I66 WeakPolarHBondContact O-CD1 3.33Å; Y62-I66 WeakPolarHBondContact O-CG1 3.49Å; Y62-I66 PolarHBondContact O-N 2.87Å; Y62-A100 HydrophobicContact CD1-CB 3.82Å; Y62-A100 HydrophobicContact CE1-CB 4.42Å; Y62-T103 HydrophobicContact CD2-CG2 3.96Å; Y62-T103 HydrophobicContact CE2-CG2 3.43Å; Y62-T103 VanDerWaalsContact CE2-CG2 3.43Å; Y62-L107 HydrophobicContact CD2-CD1 3.68Å; Y62-L107 HydrophobicContact CE2-CD1 3.85Å
63T97.1Very high95.2Very high14 Ų1429.3 Ų29.39%0.08615%0.146CC..Hα-helixtrans-60.3-46.5176.8-60.70000111.3A21 F59 S61 Y65 I66 V67A21-T63 HydrophobicContact CB-CG2 3.71Å; F59-T63 VanDerWaalsContact O-CB 3.29Å; F59-T63 WeakPolarHBondContact O-CB 3.49Å; F59-T63 PolarHBondContact O-N 3.23Å; F59-T63 PolarHBondContact O-OG1 2.79Å; S61-T63 VanDerWaalsContact C-N 3.34Å; S61-T63 PolarHBondContact O-N 3.49Å; T63-Y65 VanDerWaalsContact C-N 3.32Å; T63-Y65 PolarHBondContact O-N 2.85Å; T63-I66 PolarHBondContact O-N 2.94Å; T63-V67 HydrophobicContact CG2-CG2 4.47Å; T63-V67 WeakPolarHBondContact O-CB 3.32Å; T63-V67 WeakPolarHBondContact O-CG2 3.28Å; T63-V67 PolarHBondContact O-N 3.32Å
64R95.8Very high95.4Very high58 Ų5826.6 Ų26.622%0.21913%0.134CC..Hα-helixtrans-61.5-40.9175.6-79176.4177.9151.33.2111.8E20 A21 I24 L42 R60 S61 Y62 I66 V67 L68E20-R64 PolarHBondContact O-NH2 3.15Å; E20-R64 VanDerWaalsContact O-NH2 3.1Å; A21-R64 WeakPolarHBondContact O-CG 3.46Å; I24-R64 HydrophobicContact CD1-CB 4.08Å; I24-R64 HydrophobicContact CD1-CG 4.29Å; I24-R64 WeakPolarHBondContact CD1-O 3.23Å; I24-R64 HydrophobicContact CG1-CG 4.18Å; L42-R64 HydrophobicContact CD1-CB 4.42Å; L42-R64 HydrophobicContact CD2-CB 3.43Å; L42-R64 VanDerWaalsContact CD2-CB 3.43Å; L42-R64 HydrophobicContact CG-CB 4.41Å; R60-R64 WeakPolarHBondContact O-CB 3.23Å; R60-R64 WeakPolarHBondContact O-CG 3.27Å; R60-R64 PolarHBondContact O-N 2.83Å; S61-R64 PolarHBondContact O-N 3.04Å; Y62-R64 PolarHBondContact O-N 3.25Å; R64-I66 PolarHBondContact O-N 3.19Å; R64-V67 PolarHBondContact O-N 2.81Å; R64-L68 VanDerWaalsContact O-CB 3.23Å; R64-L68 WeakPolarHBondContact O-CB 3.4Å; R64-L68 PolarHBondContact O-N 3.43Å
65Y96.1Very high95.5Very high4 Ų431.2 Ų31.22%0.01615%0.152CC..Hα-helixtrans-60.8-47.1178.4170.6-102.3000111.2A39 L42 F43 S61 Y62 T63 L69 M93 V97 A100A39-Y65 HydrophobicContact CB-CD2 4.19Å; A39-Y65 HydrophobicContact CB-CE2 4.25Å; A39-Y65 VanDerWaalsContact O-CD2 3.23Å; A39-Y65 WeakPolarHBondContact O-CD2 3.36Å; L42-Y65 VanDerWaalsContact CD2-N 3.25Å; F43-Y65 HydrophobicContact CB-CD2 3.72Å; F43-Y65 HydrophobicContact CB-CE2 3.63Å; F43-Y65 HydrophobicContact CB-CG 4.2Å; F43-Y65 AromaticContact CD2-CD1 3.84Å; F43-Y65 HydrophobicContact CD2-CD1 3.84Å; F43-Y65 HydrophobicContact CD2-CD2 4.44Å; F43-Y65 AromaticContact CD2-CE1 3.6Å; F43-Y65 HydrophobicContact CD2-CE1 3.6Å; F43-Y65 HydrophobicContact CD2-CE2 4.21Å; F43-Y65 HydrophobicContact CD2-CG 4.25Å; F43-Y65 AromaticContact CD2-CZ 3.79Å; F43-Y65 HydrophobicContact CE2-CE1 4.22Å; F43-Y65 HydrophobicContact CG-CE1 4.36Å; F43-Y65 HydrophobicContact CG-CE2 4.18Å; S61-Y65 WeakPolarHBondContact O-CB 3.49Å; S61-Y65 PolarHBondContact O-N 2.82Å; Y62-Y65 WeakPolarHBondContact O-CB 3.28Å; Y62-Y65 PolarHBondContact O-N 3.32Å; T63-Y65 VanDerWaalsContact C-N 3.32Å; T63-Y65 PolarHBondContact O-N 2.85Å; Y65-L69 HydrophobicContact CD1-CD1 4.29Å; Y65-L69 HydrophobicContact CD2-CD1 3.83Å; Y65-L69 HydrophobicContact CE1-CD1 3.73Å; Y65-L69 HydrophobicContact CE2-CD1 3.21Å; Y65-L69 HydrophobicContact CE2-CG 4.33Å; Y65-L69 HydrophobicContact CG-CD1 4.34Å; Y65-L69 PolarHBondContact O-N 3.26Å; Y65-L69 VanDerWaalsContact O-N 3.12Å; Y65-L69 VanDerWaalsContact OH-CD1 3.29Å; Y65-L69 WeakPolarHBondContact OH-CD1 3.44Å; Y65-M93 PolarHBondContact OH-O 3.08Å; Y65-V97 HydrophobicContact CE1-CB 4.5Å; Y65-V97 HydrophobicContact CE1-CG2 3.76Å; Y65-A100 HydrophobicContact CD1-CB 3.74Å; Y65-A100 HydrophobicContact CE1-CB 3.91Å
66I97Very high95.5Very high23 Ų2331.2 Ų31.212%0.11815%0.151CC..Hα-helixtrans-61.7-52.4178-65158.3000110.3Y62 T63 R64 L68 L69 V70 V97 A100 F101 A104Y62-I66 WeakPolarHBondContact O-CD1 3.33Å; Y62-I66 WeakPolarHBondContact O-CG1 3.49Å; Y62-I66 PolarHBondContact O-N 2.87Å; T63-I66 PolarHBondContact O-N 2.94Å; R64-I66 PolarHBondContact O-N 3.19Å; I66-L68 VanDerWaalsContact C-N 3.33Å; I66-L68 PolarHBondContact O-N 3.35Å; I66-L69 PolarHBondContact O-N 2.87Å; I66-V70 HydrophobicContact CG2-CG2 4.15Å; I66-V70 VanDerWaalsContact O-CB 3.29Å; I66-V70 WeakPolarHBondContact O-CB 3.38Å; I66-V70 WeakPolarHBondContact O-CG2 3.3Å; I66-V70 PolarHBondContact O-N 2.88Å; I66-V97 HydrophobicContact CG1-CG1 4.44Å; I66-V97 HydrophobicContact CG2-CG1 4.4Å; I66-A100 HydrophobicContact CD1-CB 4.25Å; I66-A100 HydrophobicContact CG1-CB 4.03Å; I66-F101 HydrophobicContact CD1-CB 4.21Å; I66-F101 HydrophobicContact CD1-CD2 4.35Å; I66-A104 HydrophobicContact CD1-CB 4.1Å
67V96.1Very high95.5Very high8 Ų832.4 Ų32.45%0.04816%0.164CC..Hα-helixtrans-63.9-38-177.1170.30000111.8I24 T63 R64 E71 H72I24-V67 HydrophobicContact CD1-CB 3.92Å; I24-V67 HydrophobicContact CD1-CG1 3.84Å; I24-V67 HydrophobicContact CG1-CG1 4.26Å; T63-V67 HydrophobicContact CG2-CG2 4.47Å; T63-V67 WeakPolarHBondContact O-CB 3.32Å; T63-V67 WeakPolarHBondContact O-CG2 3.28Å; T63-V67 PolarHBondContact O-N 3.32Å; R64-V67 PolarHBondContact O-N 2.81Å; V67-E71 HydrophobicContact CG1-CB 4.41Å; V67-E71 HydrophobicContact CG1-CG 4.49Å; V67-E71 WeakPolarHBondContact O-CB 3.33Å; V67-E71 PolarHBondContact O-N 2.87Å; V67-H72 VanDerWaalsContact CG1-CE1 3.42Å; V67-H72 WeakPolarHBondContact CG1-CE1 3.4Å; V67-H72 PolarHBondContact O-N 3.2Å; V67-H72 PolarHBondContact O-ND1 2.96Å
68L95.3Very high95.5Very high0 Ų033.7 Ų33.70%017%0.169CC..Iπ-helixtrans-62.7-47.5176-179.859.9000111.5I24 F26 Y35 A39 R64 I66 H72 L73 M298I24-L68 HydrophobicContact CD1-CB 3.86Å; F26-L68 HydrophobicContact CD2-CD1 4.03Å; F26-L68 HydrophobicContact CE2-CD1 4.16Å; Y35-L68 HydrophobicContact CD1-CD1 4Å; Y35-L68 HydrophobicContact CG-CD1 4.46Å; A39-L68 HydrophobicContact CB-CD2 3.78Å; R64-L68 VanDerWaalsContact O-CB 3.23Å; R64-L68 WeakPolarHBondContact O-CB 3.4Å; R64-L68 PolarHBondContact O-N 3.43Å; I66-L68 VanDerWaalsContact C-N 3.33Å; I66-L68 PolarHBondContact O-N 3.35Å; L68-H72 HydrophobicContact CD1-CB 4.18Å; L68-H72 WeakPolarHBondContact O-CB 3.33Å; L68-H72 PolarHBondContact O-N 3.3Å; L68-L73 HydrophobicContact CD1-CG 4.41Å; L68-L73 HydrophobicContact CG-CD1 4.11Å; L68-L73 HydrophobicContact CG-CG 4.41Å; L68-L73 WeakPolarHBondContact O-CB 3.28Å; L68-L73 WeakPolarHBondContact O-CG 3.41Å; L68-L73 PolarHBondContact O-N 3.49Å; L68-M298 HydrophobicContact CD2-SD 3.97Å
69L95.2Very high95.3Very high0 Ų036 Ų360%018%0.179CC..Iπ-helixtrans-75.9-38.9-177.4-75.8169.7000114A39 Y65 I66 L73 P74 Y90 M93 M94 V97A39-L69 HydrophobicContact CB-CD2 4.45Å; A39-L69 HydrophobicContact CB-CG 4.41Å; Y65-L69 HydrophobicContact CD1-CD1 4.29Å; Y65-L69 HydrophobicContact CD2-CD1 3.83Å; Y65-L69 HydrophobicContact CE1-CD1 3.73Å; Y65-L69 HydrophobicContact CE2-CD1 3.21Å; Y65-L69 HydrophobicContact CE2-CG 4.33Å; Y65-L69 HydrophobicContact CG-CD1 4.34Å; Y65-L69 PolarHBondContact O-N 3.26Å; Y65-L69 VanDerWaalsContact O-N 3.12Å; Y65-L69 VanDerWaalsContact OH-CD1 3.29Å; Y65-L69 WeakPolarHBondContact OH-CD1 3.44Å; I66-L69 PolarHBondContact O-N 2.87Å; L69-L73 HydrophobicContact CD2-CD1 3.27Å; L69-L73 HydrophobicContact CG-CD1 4.03Å; L69-P74 WeakPolarHBondContact O-CD 3.26Å; L69-Y90 HydrophobicContact CD2-CD2 4.11Å; L69-Y90 HydrophobicContact CD2-CE2 3.95Å; L69-Y90 PolarHBondContact O-OH 3.3Å; L69-M93 HydrophobicContact CD1-CB 3.86Å; L69-M93 HydrophobicContact CD2-CB 4.04Å; L69-M93 HydrophobicContact CD2-CE 4.07Å; L69-M93 HydrophobicContact CD2-SD 4.09Å; L69-M94 HydrophobicContact CB-SD 4.29Å; L69-V97 HydrophobicContact CB-CG2 3.95Å; L69-V97 HydrophobicContact CD1-CG2 3.49Å; L69-V97 VanDerWaalsContact CD1-CG2 3.49Å; L69-V97 HydrophobicContact CG-CG2 4.39Å
70V95.8Very high95Very high71 Ų7144 Ų4443%0.4322%0.217SC..Iπ-helixtrans-85.7-41.8-174.2177.80000111.4I66 V97I66-V70 HydrophobicContact CG2-CG2 4.15Å; I66-V70 VanDerWaalsContact O-CB 3.29Å; I66-V70 WeakPolarHBondContact O-CB 3.38Å; I66-V70 WeakPolarHBondContact O-CG2 3.3Å; I66-V70 PolarHBondContact O-N 2.88Å; V70-V97 HydrophobicContact CG2-CG1 3.78Å
71E94.8Very high94.8Very high97 Ų9751 Ų5145%0.45325%0.247SC..Iπ-helixtrans-102.9-30-169.5-57.5-172.6-170.300114.4V67 K75V67-E71 HydrophobicContact CG1-CB 4.41Å; V67-E71 HydrophobicContact CG1-CG 4.49Å; V67-E71 WeakPolarHBondContact O-CB 3.33Å; V67-E71 PolarHBondContact O-N 2.87Å; E71-K75 WeakPolarHBondContact O-CD 3.49Å; E71-K75 WeakPolarHBondContact O-CE 3.45Å; E71-K75 PolarHBondContact O-NZ 2.88Å
72H94.4Very high94.6Very high36 Ų3651.8 Ų51.817%0.16725%0.25CS..Iπ-helixtrans-104-54.4-170.3-66.883.7000112.7F26 V67 L68 K75 H76F26-H72 WeakPolarHBondContact CB-CD2 3.16Å; F26-H72 HydrophobicContact CD1-CB 4.31Å; F26-H72 HydrophobicContact CD2-CB 3.69Å; F26-H72 HydrophobicContact CE1-CB 4.4Å; F26-H72 HydrophobicContact CE2-CB 3.8Å; F26-H72 HydrophobicContact CG-CB 3.94Å; F26-H72 AromaticContact CG-CD2 3.61Å; F26-H72 HydrophobicContact CZ-CB 4.14Å; V67-H72 VanDerWaalsContact CG1-CE1 3.42Å; V67-H72 WeakPolarHBondContact CG1-CE1 3.4Å; V67-H72 PolarHBondContact O-N 3.2Å; V67-H72 PolarHBondContact O-ND1 2.96Å; L68-H72 HydrophobicContact CD1-CB 4.18Å; L68-H72 WeakPolarHBondContact O-CB 3.33Å; L68-H72 PolarHBondContact O-N 3.3Å; H72-K75 WeakPolarHBondContact O-CB 3.08Å; H72-K75 PolarHBondContact O-N 2.99Å; H72-H76 PolarHBondContact O-N 3.16Å
73L93.7Very high94.2Very high2 Ų255.6 Ų55.61%0.0127%0.271CS..G310 helixtrans-54.8-45-176.1-84.2166.1000113.6I32 L68 L69 K75 H76 F79 Y90I32-L73 HydrophobicContact CD1-CD2 3.65Å; I32-L73 HydrophobicContact CG1-CD2 3.41Å; I32-L73 VanDerWaalsContact CG1-CD2 3.41Å; L68-L73 HydrophobicContact CD1-CG 4.41Å; L68-L73 HydrophobicContact CG-CD1 4.11Å; L68-L73 HydrophobicContact CG-CG 4.41Å; L68-L73 WeakPolarHBondContact O-CB 3.28Å; L68-L73 WeakPolarHBondContact O-CG 3.41Å; L68-L73 PolarHBondContact O-N 3.49Å; L69-L73 HydrophobicContact CD2-CD1 3.27Å; L69-L73 HydrophobicContact CG-CD1 4.03Å; L73-K75 PolarHBondContact O-N 3.45Å; L73-H76 VanDerWaalsContact O-CB 3.26Å; L73-H76 WeakPolarHBondContact O-CB 3.14Å; L73-H76 PolarHBondContact O-N 2.88Å; L73-H76 VanDerWaalsContact O-N 3.08Å; L73-F79 WeakPolarHBondContact O-CB 3.46Å; L73-F79 VanDerWaalsContact O-CD2 3.3Å; L73-F79 WeakPolarHBondContact O-CD2 3.39Å; L73-Y90 HydrophobicContact CB-CE2 4.27Å
74P94Very high93.9Very high49 Ų4963 Ų6332%0.31830%0.302SS..G310 helixtrans-61.4-24176.1-27.537000114.9L69 F79 Y90L69-P74 WeakPolarHBondContact O-CD 3.26Å; P74-F79 HydrophobicContact CB-CE1 4.45Å; P74-F79 HydrophobicContact CB-CZ 4.46Å; P74-Y90 WeakPolarHBondContact CG-OH 3.37Å
75K94.4Very high93.4Very high157 Ų15766.1 Ų66.168%0.68332%0.319SS*.G310 helixtrans-88-7.3179.2-61178.8-172.11450112.7E71 H72 L73E71-K75 WeakPolarHBondContact O-CD 3.49Å; E71-K75 WeakPolarHBondContact O-CE 3.45Å; E71-K75 PolarHBondContact O-NZ 2.88Å; H72-K75 WeakPolarHBondContact O-CB 3.08Å; H72-K75 PolarHBondContact O-N 2.99Å; L73-K75 PolarHBondContact O-N 3.45Å
76H95.1Very high93Very high3 Ų368.1 Ų68.11%0.01433%0.328CS..SBendtrans-69.3139.9-178.1-164.9-96.7000111.9F26 P28 I30 I32 H72 L73 E78 F79F26-H76 HydrophobicContact CE1-CB 4.48Å; F26-H76 AromaticContact CE1-CD2 3.86Å; F26-H76 HydrophobicContact CZ-CB 3.95Å; F26-H76 AromaticContact CZ-CD2 3.45Å; F26-H76 VanDerWaalsContact CZ-CD2 3.45Å; F26-H76 WeakPolarHBondContact CZ-CD2 3.34Å; P28-H76 PolarHBondContact O-NE2 3.41Å; I30-H76 PolarHBondContact O-NE2 2.96Å; I32-H76 HydrophobicContact CD1-CB 3.82Å; H72-H76 PolarHBondContact O-N 3.16Å; L73-H76 VanDerWaalsContact O-CB 3.26Å; L73-H76 WeakPolarHBondContact O-CB 3.14Å; L73-H76 PolarHBondContact O-N 2.88Å; L73-H76 VanDerWaalsContact O-N 3.08Å; H76-E78 IonicContact CE1-OE2 3.18Å; H76-E78 WeakPolarHBondContact ND1-CB 3.42Å; H76-E78 PolarHBondContact ND1-N 3.25Å; H76-E78 VanDerWaalsContact ND1-N 3.17Å; H76-E78 PolarHBondContact O-N 2.88Å; H76-E78 VanDerWaalsContact O-N 3.16Å; H76-F79 HydrophobicContact CB-CB 4.35Å; H76-F79 VanDerWaalsContact O-CB 3.25Å; H76-F79 WeakPolarHBondContact O-CB 3.26Å; H76-F79 PolarHBondContact O-N 2.82Å
77P94.3Very high92.7Very high75 Ų7572.1 Ų72.149%0.48735%0.345SS..THydrogen-bonded Turntrans-58.9-30.8-179.2-25.634.4000114.7P28P28-P77 HydrophobicContact CB-CG 3.9Å
78E93.9Very high92.4Very high68 Ų6874.2 Ų74.232%0.31836%0.363SS..THydrogen-bonded Turntrans-80.4-15.7178.5-60.4177.3171.300113.2S31 I32 H76 Q80 K81S31-E78 WeakPolarHBondContact CA-OE2 3.44Å; S31-E78 PolarHBondContact OG-OE2 2.93Å; S31-E78 VanDerWaalsContact OG-OE2 3.07Å; I32-E78 HydrophobicContact CB-CB 4.13Å; I32-E78 HydrophobicContact CG2-CB 3.77Å; I32-E78 WeakPolarHBondContact CG2-OE2 3.46Å; I32-E78 PolarHBondContact N-OE2 3.18Å; H76-E78 IonicContact CE1-OE2 3.18Å; H76-E78 WeakPolarHBondContact ND1-CB 3.42Å; H76-E78 PolarHBondContact ND1-N 3.25Å; H76-E78 VanDerWaalsContact ND1-N 3.17Å; H76-E78 PolarHBondContact O-N 2.88Å; H76-E78 VanDerWaalsContact O-N 3.16Å; E78-Q80 VanDerWaalsContact C-N 3.31Å; E78-Q80 PolarHBondContact O-N 2.96Å; E78-K81 WeakPolarHBondContact O-CA 3.48Å; E78-K81 WeakPolarHBondContact O-CB 3.41Å; E78-K81 PolarHBondContact O-N 2.83Å
79F93.4Very high92.1Very high48 Ų4878.2 Ų78.221%0.21138%0.382CS..G310 helixtrans-60.5-40.5-175.8-172.8-93.4000112.4I32 L73 P74 H76 K81 F82 Y90I32-F79 HydrophobicContact CD1-CB 3.94Å; I32-F79 HydrophobicContact CD1-CD2 3.97Å; I32-F79 HydrophobicContact CD1-CG 4.48Å; L73-F79 WeakPolarHBondContact O-CB 3.46Å; L73-F79 VanDerWaalsContact O-CD2 3.3Å; L73-F79 WeakPolarHBondContact O-CD2 3.39Å; P74-F79 HydrophobicContact CB-CE1 4.45Å; P74-F79 HydrophobicContact CB-CZ 4.46Å; H76-F79 HydrophobicContact CB-CB 4.35Å; H76-F79 VanDerWaalsContact O-CB 3.25Å; H76-F79 WeakPolarHBondContact O-CB 3.26Å; H76-F79 PolarHBondContact O-N 2.82Å; F79-K81 PolarHBondContact O-N 2.89Å; F79-F82 HydrophobicContact CD2-CD2 4.2Å; F79-F82 HydrophobicContact CD2-CE1 4.44Å; F79-F82 AromaticContact CD2-CE2 3.51Å; F79-F82 HydrophobicContact CD2-CE2 3.51Å; F79-F82 AromaticContact CD2-CZ 3.67Å; F79-F82 HydrophobicContact CD2-CZ 3.67Å; F79-F82 HydrophobicContact CE2-CD2 4.25Å; F79-F82 AromaticContact CE2-CE2 3.56Å; F79-F82 HydrophobicContact CE2-CE2 3.56Å; F79-F82 HydrophobicContact CE2-CZ 4.13Å; F79-F82 HydrophobicContact CG-CE2 4.34Å; F79-F82 HydrophobicContact CG-CZ 4.48Å; F79-F82 HydrophobicContact CZ-CE2 4.41Å; F79-F82 VanDerWaalsContact O-CG 3.3Å; F79-F82 WeakPolarHBondContact O-CG 2.99Å; F79-F82 PolarHBondContact O-N 3.1Å; F79-Y90 AromaticContact CE2-CD1 3.96Å; F79-Y90 HydrophobicContact CE2-CD1 3.96Å; F79-Y90 AromaticContact CE2-CD2 3.91Å; F79-Y90 HydrophobicContact CE2-CD2 3.91Å; F79-Y90 AromaticContact CE2-CE1 3.8Å; F79-Y90 HydrophobicContact CE2-CE1 3.8Å; F79-Y90 AromaticContact CE2-CE2 3.73Å; F79-Y90 HydrophobicContact CE2-CE2 3.73Å; F79-Y90 HydrophobicContact CE2-CG 4.02Å; F79-Y90 AromaticContact CE2-CZ 3.67Å; F79-Y90 AromaticContact CZ-CD1 4Å; F79-Y90 HydrophobicContact CZ-CD1 4Å; F79-Y90 AromaticContact CZ-CE1 3.63Å; F79-Y90 HydrophobicContact CZ-CE1 3.63Å; F79-Y90 HydrophobicContact CZ-CE2 4.35Å; F79-Y90 AromaticContact CZ-CZ 3.82Å
80Q90.4Very high91.9Very high176 Ų17679.8 Ų79.882%0.82239%0.388SS*.G310 helixtrans-68-18.9177.6-63.1-178.113.200112.9E78E78-Q80 VanDerWaalsContact C-N 3.31Å; E78-Q80 PolarHBondContact O-N 2.96Å
81K92.7Very high91.7Very high163 Ų16382.3 Ų82.371%0.70940%0.395SS*.G310 helixtrans-93.43.4-178.3-56.3-179.2-175.7175.80113E78 F79 I83E78-K81 WeakPolarHBondContact O-CA 3.48Å; E78-K81 WeakPolarHBondContact O-CB 3.41Å; E78-K81 PolarHBondContact O-N 2.83Å; F79-K81 PolarHBondContact O-N 2.89Å; K81-I83 PolarHBondContact O-N 3.34Å
82F88.9Confident91.6Very high22 Ų2283.2 Ų83.210%0.09640%0.397CS..  trans-53.3128.5-177.8-79-5.3000112.6I32 F79 E86 K87 Y90I32-F82 HydrophobicContact CB-CE1 4.33Å; I32-F82 HydrophobicContact CD1-CE1 3.4Å; I32-F82 HydrophobicContact CD1-CZ 3.37Å; I32-F82 HydrophobicContact CG1-CE1 3.8Å; I32-F82 HydrophobicContact CG1-CZ 3.86Å; I32-F82 HydrophobicContact CG2-CE1 3.67Å; F79-F82 HydrophobicContact CD2-CD2 4.2Å; F79-F82 HydrophobicContact CD2-CE1 4.44Å; F79-F82 AromaticContact CD2-CE2 3.51Å; F79-F82 HydrophobicContact CD2-CE2 3.51Å; F79-F82 AromaticContact CD2-CZ 3.67Å; F79-F82 HydrophobicContact CD2-CZ 3.67Å; F79-F82 HydrophobicContact CE2-CD2 4.25Å; F79-F82 AromaticContact CE2-CE2 3.56Å; F79-F82 HydrophobicContact CE2-CE2 3.56Å; F79-F82 HydrophobicContact CE2-CZ 4.13Å; F79-F82 HydrophobicContact CG-CE2 4.34Å; F79-F82 HydrophobicContact CG-CZ 4.48Å; F79-F82 HydrophobicContact CZ-CE2 4.41Å; F79-F82 VanDerWaalsContact O-CG 3.3Å; F79-F82 WeakPolarHBondContact O-CG 2.99Å; F79-F82 PolarHBondContact O-N 3.1Å; F82-E86 VanDerWaalsContact CA-OE2 3.32Å; F82-E86 WeakPolarHBondContact CA-OE2 3.48Å; F82-E86 HydrophobicContact CB-CB 4.02Å; F82-E86 HydrophobicContact CD1-CB 3.98Å; F82-E86 HydrophobicContact CD2-CB 4.31Å; F82-E86 HydrophobicContact CE1-CB 4.43Å; F82-E86 HydrophobicContact CG-CB 3.89Å; F82-K87 HydrophobicContact CB-CD 4.38Å; F82-K87 HydrophobicContact CB-CG 3.54Å; F82-K87 HydrophobicContact CD2-CG 4.05Å; F82-K87 HydrophobicContact CG-CG 4.33Å; F82-K87 VanDerWaalsContact O-CE 3.27Å; F82-K87 WeakPolarHBondContact O-CE 3.44Å; F82-Y90 HydrophobicContact CE2-CD2 4.48Å; F82-Y90 HydrophobicContact CE2-CG 4.1Å
83I90.2Very high91.5Very high93 Ų9382.2 Ų82.248%0.47739%0.393SS..  trans-71.5172.3165.566.5177.1000110.1K81 E85 E86 K87K81-I83 PolarHBondContact O-N 3.34Å; I83-E85 VanDerWaalsContact C-N 3.26Å; I83-E85 HydrophobicContact CD1-CB 4.37Å; I83-E85 WeakPolarHBondContact CD1-OE2 3.12Å; I83-E85 HydrophobicContact CG1-CB 4.36Å; I83-E85 WeakPolarHBondContact CG1-OE2 3.38Å; I83-E85 PolarHBondContact O-N 3.46Å; I83-E86 HydrophobicContact CD1-CG 4.39Å; I83-E86 HydrophobicContact CG1-CB 4.18Å; I83-E86 HydrophobicContact CG1-CG 3.74Å; I83-E86 PolarHBondContact N-OE2 3.49Å; I83-E86 PolarHBondContact O-N 2.72Å; I83-K87 WeakPolarHBondContact O-CG 3.17Å; I83-K87 PolarHBondContact O-N 3.42Å
84K89.6Confident91.5Very high171 Ų17185.3 Ų85.374%0.74341%0.408SS*.Hα-helixtrans-59-40.4-174.4-175.8-176.3176.6-172.50111.9K87 A88K84-K87 PolarHBondContact O-N 2.89Å; K84-A88 PolarHBondContact O-N 3.37Å
85E87Confident91.5Very high122 Ų12291.1 Ų91.157%0.5743%0.428SS*.Hα-helixtrans-66.9-45-178.1-62.365.8-141.200110.8I83 K87 A88 E89I83-E85 VanDerWaalsContact C-N 3.26Å; I83-E85 HydrophobicContact CD1-CB 4.37Å; I83-E85 WeakPolarHBondContact CD1-OE2 3.12Å; I83-E85 HydrophobicContact CG1-CB 4.36Å; I83-E85 WeakPolarHBondContact CG1-OE2 3.38Å; I83-E85 PolarHBondContact O-N 3.46Å; E85-K87 PolarHBondContact O-N 3.31Å; E85-A88 WeakPolarHBondContact O-CB 3.38Å; E85-A88 PolarHBondContact O-N 3.47Å; E85-E89 PolarHBondContact O-N 3.19Å
86E87.2Confident91.4Very high46 Ų4684.8 Ų84.822%0.21541%0.405CS..Hα-helixtrans-65.2-38.8177.2-67.7170.3157.900112K33 F82 I83 A88 E89 Y90K33-E86 WeakPolarHBondContact CE-OE1 2.93Å; K33-E86 IonicContact NZ-OE1 2.78Å; K33-E86 PolarHBondContact NZ-OE1 2.91Å; F82-E86 VanDerWaalsContact CA-OE2 3.32Å; F82-E86 WeakPolarHBondContact CA-OE2 3.48Å; F82-E86 HydrophobicContact CB-CB 4.02Å; F82-E86 HydrophobicContact CD1-CB 3.98Å; F82-E86 HydrophobicContact CD2-CB 4.31Å; F82-E86 HydrophobicContact CE1-CB 4.43Å; F82-E86 HydrophobicContact CG-CB 3.89Å; I83-E86 HydrophobicContact CD1-CG 4.39Å; I83-E86 HydrophobicContact CG1-CB 4.18Å; I83-E86 HydrophobicContact CG1-CG 3.74Å; I83-E86 PolarHBondContact N-OE2 3.49Å; I83-E86 PolarHBondContact O-N 2.72Å; E86-A88 VanDerWaalsContact C-N 3.33Å; E86-A88 PolarHBondContact O-N 2.77Å; E86-E89 PolarHBondContact O-N 3.09Å; E86-Y90 WeakPolarHBondContact O-CB 3.33Å; E86-Y90 PolarHBondContact O-N 3.4Å
87K89.9Confident91.5Very high107 Ų10785.2 Ų85.247%0.46541%0.408SS..Hα-helixtrans-62.2-41.3172.8-70.7-176.8-178.6170.70111.7F82 I83 K84 E85 Q91F82-K87 HydrophobicContact CB-CD 4.38Å; F82-K87 HydrophobicContact CB-CG 3.54Å; F82-K87 HydrophobicContact CD2-CG 4.05Å; F82-K87 HydrophobicContact CG-CG 4.33Å; F82-K87 VanDerWaalsContact O-CE 3.27Å; F82-K87 WeakPolarHBondContact O-CE 3.44Å; I83-K87 WeakPolarHBondContact O-CG 3.17Å; I83-K87 PolarHBondContact O-N 3.42Å; K84-K87 PolarHBondContact O-N 2.89Å; E85-K87 PolarHBondContact O-N 3.31Å; K87-Q91 WeakPolarHBondContact O-CB 3.33Å; K87-Q91 VanDerWaalsContact O-CG 3.25Å; K87-Q91 WeakPolarHBondContact O-CG 3.47Å; K87-Q91 PolarHBondContact O-N 3.47Å
88A90.9Very high91.4Very high53 Ų5388 Ų8844%0.43842%0.415SS..Hα-helixtrans-65-42.7179.100000111.6K84 E85 E86 Q91 K92K84-A88 PolarHBondContact O-N 3.37Å; E85-A88 WeakPolarHBondContact O-CB 3.38Å; E85-A88 PolarHBondContact O-N 3.47Å; E86-A88 VanDerWaalsContact C-N 3.33Å; E86-A88 PolarHBondContact O-N 2.77Å; A88-Q91 PolarHBondContact O-N 2.88Å; A88-K92 PolarHBondContact O-N 2.84Å
89E87.2Confident91.5Very high83 Ų8387.1 Ų87.139%0.38842%0.419SS..Hα-helixtrans-66.4-42.5177.3-168.157.6-149.200111.7E85 E86 Q91 K92 M93E85-E89 PolarHBondContact O-N 3.19Å; E86-E89 PolarHBondContact O-N 3.09Å; E89-Q91 VanDerWaalsContact C-N 3.33Å; E89-Q91 PolarHBondContact O-N 3.45Å; E89-K92 WeakPolarHBondContact O-CB 3.35Å; E89-K92 PolarHBondContact O-N 2.92Å; E89-K92 IonicContact OE1-NZ 3.3Å; E89-K92 IonicContact OE2-NZ 3.85Å; E89-M93 PolarHBondContact O-N 2.74Å
90Y91.6Very high91.6Very high33 Ų3384.8 Ų84.813%0.12941%0.409CS..Hα-helixtrans-59.6-43173177.3-100.5000112.3L69 L73 P74 F79 F82 E86 K92 M93 M94L69-Y90 HydrophobicContact CD2-CD2 4.11Å; L69-Y90 HydrophobicContact CD2-CE2 3.95Å; L69-Y90 PolarHBondContact O-OH 3.3Å; L73-Y90 HydrophobicContact CB-CE2 4.27Å; P74-Y90 WeakPolarHBondContact CG-OH 3.37Å; F79-Y90 AromaticContact CE2-CD1 3.96Å; F79-Y90 HydrophobicContact CE2-CD1 3.96Å; F79-Y90 AromaticContact CE2-CD2 3.91Å; F79-Y90 HydrophobicContact CE2-CD2 3.91Å; F79-Y90 AromaticContact CE2-CE1 3.8Å; F79-Y90 HydrophobicContact CE2-CE1 3.8Å; F79-Y90 AromaticContact CE2-CE2 3.73Å; F79-Y90 HydrophobicContact CE2-CE2 3.73Å; F79-Y90 HydrophobicContact CE2-CG 4.02Å; F79-Y90 AromaticContact CE2-CZ 3.67Å; F79-Y90 AromaticContact CZ-CD1 4Å; F79-Y90 HydrophobicContact CZ-CD1 4Å; F79-Y90 AromaticContact CZ-CE1 3.63Å; F79-Y90 HydrophobicContact CZ-CE1 3.63Å; F79-Y90 HydrophobicContact CZ-CE2 4.35Å; F79-Y90 AromaticContact CZ-CZ 3.82Å; F82-Y90 HydrophobicContact CE2-CD2 4.48Å; F82-Y90 HydrophobicContact CE2-CG 4.1Å; E86-Y90 WeakPolarHBondContact O-CB 3.33Å; E86-Y90 PolarHBondContact O-N 3.4Å; Y90-K92 VanDerWaalsContact C-N 3.32Å; Y90-K92 PolarHBondContact O-N 3.24Å; Y90-M93 HydrophobicContact CD2-CE 4.48Å; Y90-M93 PolarHBondContact O-N 3.45Å; Y90-M94 HydrophobicContact CD1-CG 4.06Å; Y90-M94 HydrophobicContact CE1-CG 3.54Å; Y90-M94 HydrophobicContact CE1-SD 4.29Å; Y90-M94 HydrophobicContact CE2-CG 4.08Å; Y90-M94 HydrophobicContact CE2-SD 4.24Å; Y90-M94 WeakPolarHBondContact O-CG 3.29Å; Y90-M94 PolarHBondContact O-N 3.44Å; Y90-M94 PolarHBondContact OH-SD 3.46Å; Y90-M94 VanDerWaalsContact OH-SD 3.42Å
91Q92.3Very high91.9Very high124 Ų12481.2 Ų81.258%0.57939%0.391SS*.Hα-helixtrans-63-37.1175.8-76.3175.2-3.500112.6K87 A88 E89 M94 K95K87-Q91 WeakPolarHBondContact O-CB 3.33Å; K87-Q91 VanDerWaalsContact O-CG 3.25Å; K87-Q91 WeakPolarHBondContact O-CG 3.47Å; K87-Q91 PolarHBondContact O-N 3.47Å; A88-Q91 PolarHBondContact O-N 2.88Å; E89-Q91 VanDerWaalsContact C-N 3.33Å; E89-Q91 PolarHBondContact O-N 3.45Å; Q91-M94 PolarHBondContact O-N 3.4Å; Q91-K95 WeakPolarHBondContact O-CG 3.28Å; Q91-K95 PolarHBondContact O-N 2.89Å; Q91-K95 VanDerWaalsContact O-N 3.1Å
92K91.5Very high92.1Very high116 Ų11678.8 Ų78.850%0.50438%0.382SS..Hα-helixtrans-62.5-46.9174.3-179.1-173.6168.1-159.50111A88 E89 Y90 M94 K95 A96A88-K92 PolarHBondContact O-N 2.84Å; E89-K92 WeakPolarHBondContact O-CB 3.35Å; E89-K92 PolarHBondContact O-N 2.92Å; E89-K92 IonicContact OE1-NZ 3.3Å; E89-K92 IonicContact OE2-NZ 3.85Å; Y90-K92 VanDerWaalsContact C-N 3.32Å; Y90-K92 PolarHBondContact O-N 3.24Å; K92-M94 PolarHBondContact O-N 3.26Å; K92-K95 WeakPolarHBondContact O-CB 3.48Å; K92-K95 PolarHBondContact O-N 3.36Å; K92-A96 PolarHBondContact O-N 3.28Å
93M92.6Very high92.5Very high16 Ų1679 Ų798%0.07939%0.385CS..Hα-helixtrans-61.4-42.2174.5-69.7-173.8-71.500112A36 A39 Y65 L69 E89 Y90 K95 A96 V97A36-M93 HydrophobicContact CB-CE 4.05Å; A39-M93 HydrophobicContact CB-SD 4.2Å; Y65-M93 PolarHBondContact OH-O 3.08Å; L69-M93 HydrophobicContact CD1-CB 3.86Å; L69-M93 HydrophobicContact CD2-CB 4.04Å; L69-M93 HydrophobicContact CD2-CE 4.07Å; L69-M93 HydrophobicContact CD2-SD 4.09Å; E89-M93 PolarHBondContact O-N 2.74Å; Y90-M93 HydrophobicContact CD2-CE 4.48Å; Y90-M93 PolarHBondContact O-N 3.45Å; M93-K95 VanDerWaalsContact C-N 3.28Å; M93-K95 PolarHBondContact O-N 2.94Å; M93-A96 CarbonylContact O-C 3.44Å; M93-A96 WeakPolarHBondContact O-CA 3.19Å; M93-A96 WeakPolarHBondContact O-CB 3.38Å; M93-A96 PolarHBondContact O-N 2.88Å; M93-V97 PolarHBondContact O-N 2.99Å
94M93.9Very high92.9Very high66 Ų6674.9 Ų74.933%0.32537%0.365SS..Hα-helixtrans-61.3-31.9176.9-76.2-61.1-62.300113.6L69 Y90 Q91 K92 A96 V97L69-M94 HydrophobicContact CB-SD 4.29Å; Y90-M94 HydrophobicContact CD1-CG 4.06Å; Y90-M94 HydrophobicContact CE1-CG 3.54Å; Y90-M94 HydrophobicContact CE1-SD 4.29Å; Y90-M94 HydrophobicContact CE2-CG 4.08Å; Y90-M94 HydrophobicContact CE2-SD 4.24Å; Y90-M94 WeakPolarHBondContact O-CG 3.29Å; Y90-M94 PolarHBondContact O-N 3.44Å; Y90-M94 PolarHBondContact OH-SD 3.46Å; Y90-M94 VanDerWaalsContact OH-SD 3.42Å; Q91-M94 PolarHBondContact O-N 3.4Å; K92-M94 PolarHBondContact O-N 3.26Å; M94-A96 VanDerWaalsContact C-N 3.31Å; M94-V97 WeakPolarHBondContact O-CB 2.89Å; M94-V97 PolarHBondContact O-N 3.45Å; M94-V97 HydrophobicContact SD-CG2 4.03Å
95K93.4Very high93.2Very high171 Ų17171.7 Ų71.774%0.74335%0.352SS*.Hα-helixtrans-64-38.2171.4-70.7176.6-178.6-179.90111.8Q91 K92 M93 V97Q91-K95 WeakPolarHBondContact O-CG 3.28Å; Q91-K95 PolarHBondContact O-N 2.89Å; Q91-K95 VanDerWaalsContact O-N 3.1Å; K92-K95 WeakPolarHBondContact O-CB 3.48Å; K92-K95 PolarHBondContact O-N 3.36Å; M93-K95 VanDerWaalsContact C-N 3.28Å; M93-K95 PolarHBondContact O-N 2.94Å; K95-V97 VanDerWaalsContact C-N 3.3Å; K95-V97 PolarHBondContact O-N 3.44Å
96A94.2Very high93.8Very high24 Ų2471.5 Ų71.520%0.19835%0.347CS..Hα-helixtrans-72.6-20.7175.600000113.1F43 K92 M93 M94 Q98 A99 A100F43-A96 HydrophobicContact CE1-CB 4.39Å; F43-A96 HydrophobicContact CE2-CB 4.07Å; F43-A96 HydrophobicContact CZ-CB 3.96Å; K92-A96 PolarHBondContact O-N 3.28Å; M93-A96 CarbonylContact O-C 3.44Å; M93-A96 WeakPolarHBondContact O-CA 3.19Å; M93-A96 WeakPolarHBondContact O-CB 3.38Å; M93-A96 PolarHBondContact O-N 2.88Å; M94-A96 VanDerWaalsContact C-N 3.31Å; A96-Q98 VanDerWaalsContact C-N 3.31Å; A96-Q98 PolarHBondContact O-N 2.87Å; A96-A99 PolarHBondContact O-N 3.35Å; A96-A100 WeakPolarHBondContact O-CB 3.38Å; A96-A100 PolarHBondContact O-N 3.03Å
97V96.4Very high94.3Very high13 Ų1369.6 Ų69.68%0.07934%0.338CS..Hα-helixtrans-61-38.3175.7171.40000111.9Y65 I66 L69 V70 M93 M94 K95 A100 F101Y65-V97 HydrophobicContact CE1-CB 4.5Å; Y65-V97 HydrophobicContact CE1-CG2 3.76Å; I66-V97 HydrophobicContact CG1-CG1 4.44Å; I66-V97 HydrophobicContact CG2-CG1 4.4Å; L69-V97 HydrophobicContact CB-CG2 3.95Å; L69-V97 HydrophobicContact CD1-CG2 3.49Å; L69-V97 VanDerWaalsContact CD1-CG2 3.49Å; L69-V97 HydrophobicContact CG-CG2 4.39Å; V70-V97 HydrophobicContact CG2-CG1 3.78Å; M93-V97 PolarHBondContact O-N 2.99Å; M94-V97 WeakPolarHBondContact O-CB 2.89Å; M94-V97 PolarHBondContact O-N 3.45Å; M94-V97 HydrophobicContact SD-CG2 4.03Å; K95-V97 VanDerWaalsContact C-N 3.3Å; K95-V97 PolarHBondContact O-N 3.44Å; V97-A100 PolarHBondContact O-N 3.3Å; V97-F101 WeakPolarHBondContact O-CB 3.45Å; V97-F101 PolarHBondContact O-N 3.32Å
98Q92.2Very high94.6Very high134 Ų13468.8 Ų68.863%0.62633%0.334SS*.Hα-helixtrans-62.5-49.7177.5-177178.4-7.700111.2A96 A100 F101 E102A96-Q98 VanDerWaalsContact C-N 3.31Å; A96-Q98 PolarHBondContact O-N 2.87Å; Q98-A100 VanDerWaalsContact C-N 3.3Å; Q98-A100 PolarHBondContact O-N 3.4Å; Q98-F101 WeakPolarHBondContact O-CB 3.29Å; Q98-F101 PolarHBondContact O-N 2.99Å; Q98-F101 VanDerWaalsContact O-N 3.17Å; Q98-E102 PolarHBondContact NE2-OE1 3.23Å; Q98-E102 PolarHBondContact O-N 3.14Å; Q98-E102 VanDerWaalsContact O-N 3.08Å
99A95Very high94.9Very high48 Ų4871.1 Ų71.140%0.39734%0.339SS..Hα-helixtrans-62-38.2176.300000112.1A96 F101 T103A96-A99 PolarHBondContact O-N 3.35Å; A99-F101 VanDerWaalsContact C-N 3.34Å; A99-T103 VanDerWaalsContact O-CB 3.3Å; A99-T103 WeakPolarHBondContact O-CB 3.43Å; A99-T103 PolarHBondContact O-N 3.08Å; A99-T103 PolarHBondContact O-OG1 3.32Å
100A97Very high95.4Very high0 Ų069.6 Ų69.60%034%0.336CS..Hα-helixtrans-63-40174.800000112F43 Y62 Y65 I66 A96 V97 Q98 T103 A104F43-A100 HydrophobicContact CD2-CB 4.37Å; F43-A100 HydrophobicContact CE2-CB 4.06Å; Y62-A100 HydrophobicContact CD1-CB 3.82Å; Y62-A100 HydrophobicContact CE1-CB 4.42Å; Y65-A100 HydrophobicContact CD1-CB 3.74Å; Y65-A100 HydrophobicContact CE1-CB 3.91Å; I66-A100 HydrophobicContact CD1-CB 4.25Å; I66-A100 HydrophobicContact CG1-CB 4.03Å; A96-A100 WeakPolarHBondContact O-CB 3.38Å; A96-A100 PolarHBondContact O-N 3.03Å; V97-A100 PolarHBondContact O-N 3.3Å; Q98-A100 VanDerWaalsContact C-N 3.3Å; Q98-A100 PolarHBondContact O-N 3.4Å; A100-T103 PolarHBondContact O-N 3.05Å; A100-A104 VanDerWaalsContact O-CB 3.24Å; A100-A104 WeakPolarHBondContact O-CB 3.38Å; A100-A104 PolarHBondContact O-N 2.98Å
101F96.9Very high95.7Very high101 Ų10168.2 Ų68.244%0.44333%0.33SS..Hα-helixtrans-65-51.5178.6-173.5-90.5000111.3I66 V97 Q98 A99 T103 A104 E105I66-F101 HydrophobicContact CD1-CB 4.21Å; I66-F101 HydrophobicContact CD1-CD2 4.35Å; V97-F101 WeakPolarHBondContact O-CB 3.45Å; V97-F101 PolarHBondContact O-N 3.32Å; Q98-F101 WeakPolarHBondContact O-CB 3.29Å; Q98-F101 PolarHBondContact O-N 2.99Å; Q98-F101 VanDerWaalsContact O-N 3.17Å; A99-F101 VanDerWaalsContact C-N 3.34Å; F101-T103 PolarHBondContact O-N 3.27Å; F101-A104 PolarHBondContact O-N 3.22Å; F101-A104 VanDerWaalsContact O-N 3.15Å; F101-E105 HydrophobicContact CD1-CG 4.22Å; F101-E105 HydrophobicContact CE1-CG 3.88Å; F101-E105 WeakPolarHBondContact CE1-OE1 3.39Å; F101-E105 VanDerWaalsContact CE1-OE2 3.24Å; F101-E105 WeakPolarHBondContact CE1-OE2 3.45Å; F101-E105 HydrophobicContact CZ-CG 4.24Å; F101-E105 WeakPolarHBondContact O-CG 3.46Å; F101-E105 PolarHBondContact O-N 3.4Å
102E96.7Very high95.9Very high111 Ų11164 Ų6452%0.51931%0.312SS..Hα-helixtrans-57.3-40.6176.4-68170.8-166.200111.4Q98 R106Q98-E102 PolarHBondContact NE2-OE1 3.23Å; Q98-E102 PolarHBondContact O-N 3.14Å; Q98-E102 VanDerWaalsContact O-N 3.08Å; E102-R106 PolarHBondContact O-N 3.2Å; E102-R106 VanDerWaalsContact O-N 3.16Å
103T97.3Very high96.2Very high27 Ų2763.4 Ų63.417%0.16631%0.314CS..Hα-helixtrans-68.4-43.6177.1-57.30000111.9E50 Y62 A99 A100 F101 E105 R106 L107E50-T103 WeakPolarHBondContact OE2-CG2 3.22Å; Y62-T103 HydrophobicContact CD2-CG2 3.96Å; Y62-T103 HydrophobicContact CE2-CG2 3.43Å; Y62-T103 VanDerWaalsContact CE2-CG2 3.43Å; A99-T103 VanDerWaalsContact O-CB 3.3Å; A99-T103 WeakPolarHBondContact O-CB 3.43Å; A99-T103 PolarHBondContact O-N 3.08Å; A99-T103 PolarHBondContact O-OG1 3.32Å; A100-T103 PolarHBondContact O-N 3.05Å; F101-T103 PolarHBondContact O-N 3.27Å; T103-E105 VanDerWaalsContact C-N 3.35Å; T103-E105 PolarHBondContact O-N 3.05Å; T103-R106 PolarHBondContact O-N 3.37Å; T103-L107 HydrophobicContact CG2-CD1 3.85Å; T103-L107 HydrophobicContact CG2-CG 4.28Å; T103-L107 WeakPolarHBondContact O-CB 3.39Å; T103-L107 VanDerWaalsContact O-CG 3.26Å; T103-L107 WeakPolarHBondContact O-CG 3.24Å; T103-L107 PolarHBondContact O-N 3.4Å
104A97.6Very high96.3Very high6 Ų666.6 Ų66.65%0.0533%0.329CS..Hα-helixtrans-63.7-38.9177.600000112F59 I66 A100 F101 L107 K108F59-A104 HydrophobicContact CD2-CB 4.41Å; F59-A104 WeakPolarHBondContact CD2-O 3.3Å; I66-A104 HydrophobicContact CD1-CB 4.1Å; A100-A104 VanDerWaalsContact O-CB 3.24Å; A100-A104 WeakPolarHBondContact O-CB 3.38Å; A100-A104 PolarHBondContact O-N 2.98Å; F101-A104 PolarHBondContact O-N 3.22Å; F101-A104 VanDerWaalsContact O-N 3.15Å; A104-L107 PolarHBondContact O-N 3.04Å; A104-K108 WeakPolarHBondContact O-CB 3.5Å; A104-K108 PolarHBondContact O-N 3.44Å
105E97.2Very high96.4Very high104 Ų10464.8 Ų64.849%0.48632%0.32SS..Hα-helixtrans-61.5-48.3174.1-73.3-169.512800111.5F101 T103 L107 K108 D109F101-E105 HydrophobicContact CD1-CG 4.22Å; F101-E105 HydrophobicContact CE1-CG 3.88Å; F101-E105 WeakPolarHBondContact CE1-OE1 3.39Å; F101-E105 VanDerWaalsContact CE1-OE2 3.24Å; F101-E105 WeakPolarHBondContact CE1-OE2 3.45Å; F101-E105 HydrophobicContact CZ-CG 4.24Å; F101-E105 WeakPolarHBondContact O-CG 3.46Å; F101-E105 PolarHBondContact O-N 3.4Å; T103-E105 VanDerWaalsContact C-N 3.35Å; T103-E105 PolarHBondContact O-N 3.05Å; E105-L107 PolarHBondContact O-N 3.39Å; E105-K108 WeakPolarHBondContact O-CB 3.24Å; E105-K108 PolarHBondContact O-N 3.49Å; E105-D109 PolarHBondContact O-N 3.5Å
106R97.7Very high96.6Very high119 Ų11959.4 Ų59.445%0.44930%0.3SS..Hα-helixtrans-61.1-45175.8-178-17858.680.50.2112.4E50 E102 T103 K108 D109 V110E50-R106 IonicContact OE1-CZ 2.84Å; E50-R106 IonicContact OE1-NH2 3.71Å; E50-R106 PolarHBondContact OE1-NH2 3.01Å; E102-R106 PolarHBondContact O-N 3.2Å; E102-R106 VanDerWaalsContact O-N 3.16Å; T103-R106 PolarHBondContact O-N 3.37Å; R106-K108 VanDerWaalsContact C-N 3.26Å; R106-K108 PolarHBondContact O-N 3.3Å; R106-D109 PolarHBondContact O-N 2.95Å; R106-V110 WeakPolarHBondContact O-CG2 3.37Å; R106-V110 PolarHBondContact O-N 3.29Å
107L97.8Very high96.7Very high5 Ų562.9 Ų62.93%0.02632%0.318CS..Hα-helixtrans-65.1-31.4179.6-72.1170.5000112V55 A58 F59 Y62 T103 A104 E105 D109 V110 L111V55-L107 HydrophobicContact CG1-CB 4.32Å; V55-L107 HydrophobicContact CG1-CD2 3.99Å; V55-L107 WeakPolarHBondContact CG1-O 3.26Å; A58-L107 HydrophobicContact CB-CD1 3.67Å; A58-L107 HydrophobicContact CB-CD2 4.5Å; F59-L107 HydrophobicContact CB-CB 4.23Å; F59-L107 HydrophobicContact CD2-CB 4.49Å; Y62-L107 HydrophobicContact CD2-CD1 3.68Å; Y62-L107 HydrophobicContact CE2-CD1 3.85Å; T103-L107 HydrophobicContact CG2-CD1 3.85Å; T103-L107 HydrophobicContact CG2-CG 4.28Å; T103-L107 WeakPolarHBondContact O-CB 3.39Å; T103-L107 VanDerWaalsContact O-CG 3.26Å; T103-L107 WeakPolarHBondContact O-CG 3.24Å; T103-L107 PolarHBondContact O-N 3.4Å; A104-L107 PolarHBondContact O-N 3.04Å; E105-L107 PolarHBondContact O-N 3.39Å; L107-D109 VanDerWaalsContact C-N 3.35Å; L107-V110 PolarHBondContact O-N 3.01Å; L107-L111 WeakPolarHBondContact O-CB 3.42Å; L107-L111 PolarHBondContact O-N 3.33Å
108K97.4Very high96.5Very high90 Ų9065 Ų6539%0.39134%0.337SS..Hα-helixtrans-62.1-41.9175.9-174.2-175.9176.6-176.30111.9L14 F59 A104 E105 R106 L111 L112L14-K108 HydrophobicContact CD1-CG 4.2Å; L14-K108 HydrophobicContact CD2-CG 4.04Å; F59-K108 HydrophobicContact CD2-CB 4.07Å; F59-K108 HydrophobicContact CE2-CB 3.69Å; F59-K108 HydrophobicContact CE2-CD 4.38Å; F59-K108 HydrophobicContact CE2-CG 4.07Å; F59-K108 HydrophobicContact CZ-CB 4.36Å; F59-K108 HydrophobicContact CZ-CG 4.25Å; A104-K108 WeakPolarHBondContact O-CB 3.5Å; A104-K108 PolarHBondContact O-N 3.44Å; E105-K108 WeakPolarHBondContact O-CB 3.24Å; E105-K108 PolarHBondContact O-N 3.49Å; R106-K108 VanDerWaalsContact C-N 3.26Å; R106-K108 PolarHBondContact O-N 3.3Å; K108-L111 PolarHBondContact O-N 2.98Å; K108-L112 PolarHBondContact O-N 3.27Å
109D97.3Very high96.6Very high103 Ų10360.6 Ų60.655%0.55132%0.315SS*.Hα-helixtrans-66.4-47.8177.1-66.9-25.3000110.7E105 R106 L107 L111 L112 D113E105-D109 PolarHBondContact O-N 3.5Å; R106-D109 PolarHBondContact O-N 2.95Å; L107-D109 VanDerWaalsContact C-N 3.35Å; D109-L111 VanDerWaalsContact C-N 3.28Å; D109-L111 PolarHBondContact O-N 3.47Å; D109-L112 WeakPolarHBondContact O-CB 3.47Å; D109-L112 PolarHBondContact O-N 2.93Å; D109-L112 VanDerWaalsContact O-N 3.13Å; D109-D113 PolarHBondContact O-N 3.35Å; D109-D113 VanDerWaalsContact O-N 3.08Å
110V97.3Very high96.6Very high51 Ų5165 Ų6531%0.30933%0.327SS..Hα-helixtrans-60-39.6176179.20000111.6V55 R106 L107 D113 Q114V55-V110 HydrophobicContact CG1-CB 4.16Å; V55-V110 HydrophobicContact CG1-CG1 4.06Å; V55-V110 HydrophobicContact CG2-CG1 3.98Å; R106-V110 WeakPolarHBondContact O-CG2 3.37Å; R106-V110 PolarHBondContact O-N 3.29Å; L107-V110 PolarHBondContact O-N 3.01Å; V110-D113 PolarHBondContact O-N 3.06Å; V110-Q114 WeakPolarHBondContact O-CG 3.22Å; V110-Q114 PolarHBondContact O-N 2.88Å
111L97Very high96.4Very high3 Ų369 Ų692%0.01635%0.345CS..Hα-helixtrans-65.3-40.6177.5-178.157.5000111.4L14 I17 V55 E56 F59 L107 K108 D109 Q114 L115L14-L111 HydrophobicContact CD1-CB 4.46Å; L14-L111 HydrophobicContact CD1-CD2 3.68Å; L14-L111 HydrophobicContact CD1-CG 4.05Å; I17-L111 HydrophobicContact CD1-CD2 4.17Å; I17-L111 HydrophobicContact CG2-CD2 4.13Å; V55-L111 HydrophobicContact CG1-CB 3.88Å; E56-L111 HydrophobicContact CB-CD1 3.82Å; E56-L111 HydrophobicContact CB-CD2 4.45Å; E56-L111 HydrophobicContact CG-CD1 4.41Å; E56-L111 HydrophobicContact CG-CD2 4.43Å; F59-L111 HydrophobicContact CB-CD2 4.34Å; F59-L111 HydrophobicContact CD1-CD2 3.88Å; F59-L111 HydrophobicContact CG-CD2 4.24Å; L107-L111 WeakPolarHBondContact O-CB 3.42Å; L107-L111 PolarHBondContact O-N 3.33Å; K108-L111 PolarHBondContact O-N 2.98Å; D109-L111 VanDerWaalsContact C-N 3.28Å; D109-L111 PolarHBondContact O-N 3.47Å; L111-Q114 PolarHBondContact O-N 2.79Å; L111-L115 HydrophobicContact CD1-CD1 4.4Å; L111-L115 HydrophobicContact CD1-CG 4.27Å; L111-L115 HydrophobicContact CG-CD1 4.12Å; L111-L115 HydrophobicContact CG-CG 4.44Å; L111-L115 WeakPolarHBondContact O-CB 3.17Å; L111-L115 VanDerWaalsContact O-CG 3.23Å; L111-L115 WeakPolarHBondContact O-CG 3.45Å; L111-L115 PolarHBondContact O-N 3.41Å
112L97.5Very high96.2Very high36 Ų3667 Ų6719%0.18834%0.336CS..Hα-helixtrans-60.6-47.2176.3-176.456.2000110.8P10 K11 L14 K108 D109 Q114 L115 D116P10-L112 HydrophobicContact CB-CD1 4.14Å; K11-L112 HydrophobicContact CG-CD1 4.18Å; L14-L112 HydrophobicContact CD2-CB 4.08Å; L14-L112 HydrophobicContact CD2-CD1 4.09Å; L14-L112 HydrophobicContact CD2-CD2 4.46Å; L14-L112 HydrophobicContact CD2-CG 4.44Å; K108-L112 PolarHBondContact O-N 3.27Å; D109-L112 WeakPolarHBondContact O-CB 3.47Å; D109-L112 PolarHBondContact O-N 2.93Å; D109-L112 VanDerWaalsContact O-N 3.13Å; L112-Q114 VanDerWaalsContact C-N 3.34Å; L112-Q114 PolarHBondContact O-N 2.92Å; L112-L115 PolarHBondContact O-N 3.46Å; L112-D116 PolarHBondContact O-N 3.28Å
113D97.2Very high96Very high104 Ų10464.3 Ų64.356%0.55632%0.324SS*.Hα-helixtrans-59.7-43176.9-68.7-18.2000111.7D109 V110 L115 D116 V117D109-D113 PolarHBondContact O-N 3.35Å; D109-D113 VanDerWaalsContact O-N 3.08Å; V110-D113 PolarHBondContact O-N 3.06Å; D113-L115 PolarHBondContact O-N 3.28Å; D113-D116 PolarHBondContact O-N 2.9Å; D113-V117 WeakPolarHBondContact O-CG2 3.3Å; D113-V117 PolarHBondContact O-N 2.97Å
114Q96.1Very high95.7Very high83 Ų8369.2 Ų69.239%0.38834%0.343SS..Hα-helixtrans-63-40.6176.1-74.6-176.53.800112.5V55 V110 L111 L112 A118V55-Q114 VanDerWaalsContact CG2-NE2 3.35Å; V110-Q114 WeakPolarHBondContact O-CG 3.22Å; V110-Q114 PolarHBondContact O-N 2.88Å; L111-Q114 PolarHBondContact O-N 2.79Å; L112-Q114 VanDerWaalsContact C-N 3.34Å; L112-Q114 PolarHBondContact O-N 2.92Å; Q114-A118 WeakPolarHBondContact O-CB 3.36Å; Q114-A118 PolarHBondContact O-N 2.93Å
115L95.9Very high95.3Very high28 Ų2873 Ų7315%0.14736%0.36CS..Hα-helixtrans-67.5-39.9176.6-70.4172000111.6P10 R13 L14 I17 L111 L112 D113 A118 Y119P10-L115 HydrophobicContact CB-CB 3.9Å; R13-L115 HydrophobicContact CB-CD1 4.3Å; R13-L115 HydrophobicContact CG-CD1 4.13Å; R13-L115 HydrophobicContact CG-CD2 3.84Å; L14-L115 HydrophobicContact CB-CD1 4.09Å; I17-L115 HydrophobicContact CD1-CD1 4.11Å; L111-L115 HydrophobicContact CD1-CD1 4.4Å; L111-L115 HydrophobicContact CD1-CG 4.27Å; L111-L115 HydrophobicContact CG-CD1 4.12Å; L111-L115 HydrophobicContact CG-CG 4.44Å; L111-L115 WeakPolarHBondContact O-CB 3.17Å; L111-L115 VanDerWaalsContact O-CG 3.23Å; L111-L115 WeakPolarHBondContact O-CG 3.45Å; L111-L115 PolarHBondContact O-N 3.41Å; L112-L115 PolarHBondContact O-N 3.46Å; D113-L115 PolarHBondContact O-N 3.28Å; L115-A118 PolarHBondContact O-N 2.69Å; L115-Y119 VanDerWaalsContact O-CB 3.26Å; L115-Y119 WeakPolarHBondContact O-CB 3.48Å; L115-Y119 PolarHBondContact O-N 2.97Å
116D96.5Very high94.8Very high58 Ų5870.9 Ų70.931%0.3135%0.351SS..Hα-helixtrans-60.2-50.7175.5-78.2-37.9000110.7P10 L112 D113 A118 Y119 E120P10-D116 WeakPolarHBondContact CB-OD1 3.46Å; P10-D116 HydrophobicContact CG-CB 4.44Å; P10-D116 WeakPolarHBondContact CG-OD1 3.45Å; L112-D116 PolarHBondContact O-N 3.28Å; D113-D116 PolarHBondContact O-N 2.9Å; D116-A118 PolarHBondContact O-N 2.93Å; D116-Y119 PolarHBondContact O-N 3.22Å; D116-E120 WeakPolarHBondContact O-CG 3.32Å; D116-E120 PolarHBondContact O-N 2.91Å
117V95.9Very high94.4Very high96 Ų9671.7 Ų71.758%0.58236%0.357SS*.Hα-helixtrans-59.8-43.8177.1172.70000112.1D113 K121D113-V117 WeakPolarHBondContact O-CG2 3.3Å; D113-V117 PolarHBondContact O-N 2.97Å; V117-K121 WeakPolarHBondContact O-CB 3.44Å; V117-K121 PolarHBondContact O-N 3.49Å; V117-K121 VanDerWaalsContact O-N 3.08Å
118A93.4Very high93.9Very high58 Ų5876.3 Ų76.348%0.47938%0.379SS..Hα-helixtrans-65.8-41179.100000112.2Q114 L115 D116 K121 F122Q114-A118 WeakPolarHBondContact O-CB 3.36Å; Q114-A118 PolarHBondContact O-N 2.93Å; L115-A118 PolarHBondContact O-N 2.69Å; D116-A118 PolarHBondContact O-N 2.93Å; A118-K121 PolarHBondContact O-N 3.45Å; A118-F122 PolarHBondContact O-N 3.3Å
119Y94.2Very high93.1Very high42 Ų4278 Ų7817%0.16539%0.388CS..Hα-helixtrans-65.5-46.3177.2-177.1-98.7000111.5P7 K9 P10 L115 D116 K121 F122 M123P7-Y119 HydrophobicContact CG-CD2 4.23Å; P7-Y119 HydrophobicContact CG-CE2 4.37Å; K9-Y119 HydrophobicContact CG-CE2 4.36Å; P10-Y119 HydrophobicContact CG-CD1 4.21Å; P10-Y119 HydrophobicContact CG-CG 3.88Å; L115-Y119 VanDerWaalsContact O-CB 3.26Å; L115-Y119 WeakPolarHBondContact O-CB 3.48Å; L115-Y119 PolarHBondContact O-N 2.97Å; D116-Y119 PolarHBondContact O-N 3.22Å; Y119-K121 VanDerWaalsContact C-N 3.32Å; Y119-K121 PolarHBondContact O-N 3.38Å; Y119-F122 PolarHBondContact O-N 2.94Å; Y119-M123 HydrophobicContact CD1-CG 3.95Å; Y119-M123 HydrophobicContact CE1-CG 3.61Å; Y119-M123 HydrophobicContact CE1-SD 4.25Å; Y119-M123 HydrophobicContact CE2-CG 4.23Å; Y119-M123 HydrophobicContact CE2-SD 4.11Å; Y119-M123 HydrophobicContact CG-CG 4.42Å; Y119-M123 VanDerWaalsContact O-CG 3.28Å; Y119-M123 WeakPolarHBondContact O-CG 3.25Å; Y119-M123 PolarHBondContact O-N 3.46Å
120E94.8Very high92.1Very high139 Ų13980.5 Ų80.565%0.6540%0.396SS*.Hα-helixtrans-58.5-43176.3-73.9-177.2171.600112.4D116 M123 K124D116-E120 WeakPolarHBondContact O-CG 3.32Å; D116-E120 PolarHBondContact O-N 2.91Å; E120-M123 PolarHBondContact O-N 3.48Å; E120-K124 WeakPolarHBondContact O-CB 3.46Å; E120-K124 PolarHBondContact O-N 2.82Å
121K93.6Very high91Very high86 Ų8683.9 Ų83.937%0.37442%0.417SS..Hα-helixtrans-59.9-48.1175.3-178.1178.9172.4-178.80111.6V117 A118 Y119 M123 K124 E125 T182V117-K121 WeakPolarHBondContact O-CB 3.44Å; V117-K121 PolarHBondContact O-N 3.49Å; V117-K121 VanDerWaalsContact O-N 3.08Å; A118-K121 PolarHBondContact O-N 3.45Å; Y119-K121 VanDerWaalsContact C-N 3.32Å; Y119-K121 PolarHBondContact O-N 3.38Å; K121-M123 PolarHBondContact O-N 3.3Å; K121-K124 PolarHBondContact O-N 3.15Å; K121-E125 WeakPolarHBondContact CE-OE1 3.38Å; K121-E125 WeakPolarHBondContact O-CG 3.3Å; K121-E125 PolarHBondContact O-N 3.11Å; K121-T182 PolarHBondContact NZ-O 3.35Å
122F91.8Very high89.4Confident57 Ų5787.9 Ų87.925%0.2545%0.446CS..Hα-helixtrans-60.1-46.1177.5178.7-88.2000112.1P7 A118 Y119 K124 E125 M126P7-F122 VanDerWaalsContact CD-CD1 3.48Å; P7-F122 HydrophobicContact CG-CB 4.32Å; P7-F122 HydrophobicContact CG-CD1 3.3Å; P7-F122 HydrophobicContact CG-CD2 4.12Å; P7-F122 HydrophobicContact CG-CE1 3.52Å; P7-F122 HydrophobicContact CG-CE2 4.28Å; P7-F122 HydrophobicContact CG-CG 3.64Å; P7-F122 HydrophobicContact CG-CZ 4Å; A118-F122 PolarHBondContact O-N 3.3Å; Y119-F122 PolarHBondContact O-N 2.94Å; F122-K124 VanDerWaalsContact C-N 3.25Å; F122-K124 PolarHBondContact O-N 3.4Å; F122-E125 PolarHBondContact O-N 2.92Å; F122-M126 HydrophobicContact CD1-CG 3.96Å; F122-M126 HydrophobicContact CE1-CG 3.41Å; F122-M126 VanDerWaalsContact CE1-CG 3.41Å; F122-M126 HydrophobicContact CE1-SD 3.92Å; F122-M126 HydrophobicContact CE2-CG 4.32Å; F122-M126 HydrophobicContact CZ-CG 3.63Å; F122-M126 HydrophobicContact CZ-SD 3.66Å; F122-M126 WeakPolarHBondContact O-CG 3.5Å; F122-M126 PolarHBondContact O-N 3.36Å
123M91.5Very high87.4Confident55 Ų5588.7 Ų88.727%0.27146%0.463SS..Hα-helixtrans-63.1-32.5179-66.6-54.3-69.900112.4Y119 E120 K121 K127Y119-M123 HydrophobicContact CD1-CG 3.95Å; Y119-M123 HydrophobicContact CE1-CG 3.61Å; Y119-M123 HydrophobicContact CE1-SD 4.25Å; Y119-M123 HydrophobicContact CE2-CG 4.23Å; Y119-M123 HydrophobicContact CE2-SD 4.11Å; Y119-M123 HydrophobicContact CG-CG 4.42Å; Y119-M123 VanDerWaalsContact O-CG 3.28Å; Y119-M123 WeakPolarHBondContact O-CG 3.25Å; Y119-M123 PolarHBondContact O-N 3.46Å; E120-M123 PolarHBondContact O-N 3.48Å; K121-M123 PolarHBondContact O-N 3.3Å; M123-K127 WeakPolarHBondContact O-CG 3.26Å; M123-K127 PolarHBondContact O-N 2.85Å
124K91.7Very high85.2Confident131 Ų13189.6 Ų89.657%0.5747%0.474SS*.Hα-helixtrans-69.5-46.7174.1-173.9-179.2174.3-1740111.7E120 K121 F122 M126 K127 E128E120-K124 WeakPolarHBondContact O-CB 3.46Å; E120-K124 PolarHBondContact O-N 2.82Å; K121-K124 PolarHBondContact O-N 3.15Å; F122-K124 VanDerWaalsContact C-N 3.25Å; F122-K124 PolarHBondContact O-N 3.4Å; K124-M126 VanDerWaalsContact C-N 3.33Å; K124-M126 PolarHBondContact O-N 2.87Å; K124-K127 PolarHBondContact O-N 2.89Å; K124-E128 WeakPolarHBondContact CE-OE1 3.45Å; K124-E128 WeakPolarHBondContact O-CG 3.37Å; K124-E128 PolarHBondContact O-N 2.85Å
125E90.1Very high83.1Confident84 Ų8494.1 Ų94.139%0.39350%0.5SS..Hα-helixtrans-61.6-39.2178.6-71.5173.5-176.300112.1K121 F122 E128 Q129K121-E125 WeakPolarHBondContact CE-OE1 3.38Å; K121-E125 WeakPolarHBondContact O-CG 3.3Å; K121-E125 PolarHBondContact O-N 3.11Å; F122-E125 PolarHBondContact O-N 2.92Å; E125-E128 PolarHBondContact O-N 2.99Å; E125-Q129 WeakPolarHBondContact O-CG 3.18Å; E125-Q129 PolarHBondContact O-N 2.83Å; E125-Q129 VanDerWaalsContact O-N 3.07Å
126M86.3Confident81Confident61 Ų61100.9 Ų100.930%0.353%0.531SS..Hα-helixtrans-63.1-44175.2-71.6-91.474.100112.4F122 K124 E128 Q129 E130F122-M126 HydrophobicContact CD1-CG 3.96Å; F122-M126 HydrophobicContact CE1-CG 3.41Å; F122-M126 VanDerWaalsContact CE1-CG 3.41Å; F122-M126 HydrophobicContact CE1-SD 3.92Å; F122-M126 HydrophobicContact CE2-CG 4.32Å; F122-M126 HydrophobicContact CZ-CG 3.63Å; F122-M126 HydrophobicContact CZ-SD 3.66Å; F122-M126 WeakPolarHBondContact O-CG 3.5Å; F122-M126 PolarHBondContact O-N 3.36Å; K124-M126 VanDerWaalsContact C-N 3.33Å; K124-M126 PolarHBondContact O-N 2.87Å; M126-E128 VanDerWaalsContact C-N 3.31Å; M126-E128 PolarHBondContact O-N 3.04Å; M126-Q129 PolarHBondContact O-N 3.4Å; M126-E130 WeakPolarHBondContact O-CG 3.27Å; M126-E130 PolarHBondContact O-N 3.07Å
127K88.5Confident78.7Confident135 Ų135103.4 Ų103.459%0.58755%0.551SS**Hα-helixtrans-63.7-34.8176.4-72.5175.2-178.7179.70112.7M123 K124 T131M123-K127 WeakPolarHBondContact O-CG 3.26Å; M123-K127 PolarHBondContact O-N 2.85Å; K124-K127 PolarHBondContact O-N 2.89Å; K127-T131 WeakPolarHBondContact O-CG2 3.37Å; K127-T131 PolarHBondContact O-N 3.32Å; K127-T131 VanDerWaalsContact O-N 3.12Å; K127-T131 PolarHBondContact O-OG1 3.37Å
128E87.2Confident76.5Confident103 Ų103107.7 Ų107.748%0.48156%0.562SS.*Hα-helixtrans-69.9-34.3176.3-71.8173.9-17700111.9K124 E125 M126 T131 S132K124-E128 WeakPolarHBondContact CE-OE1 3.45Å; K124-E128 WeakPolarHBondContact O-CG 3.37Å; K124-E128 PolarHBondContact O-N 2.85Å; E125-E128 PolarHBondContact O-N 2.99Å; M126-E128 VanDerWaalsContact C-N 3.31Å; M126-E128 PolarHBondContact O-N 3.04Å; E128-T131 WeakPolarHBondContact CA-OG1 3.44Å; E128-T131 PolarHBondContact O-OG1 3.23Å; E128-T131 VanDerWaalsContact O-OG1 3.12Å; E128-S132 PolarHBondContact O-N 2.94Å; E128-S132 PolarHBondContact O-OG 2.83Å
129Q80.8Confident74.6Confident124 Ų124112 Ų11258%0.57958%0.577SS**Hα-helixtrans-71.7-37.2173.9-70.8176.914.700112.6E125 M126 S132E125-Q129 WeakPolarHBondContact O-CG 3.18Å; E125-Q129 PolarHBondContact O-N 2.83Å; E125-Q129 VanDerWaalsContact O-N 3.07Å; M126-Q129 PolarHBondContact O-N 3.4Å; Q129-S132 WeakPolarHBondContact CA-OG 3.27Å; Q129-S132 PolarHBondContact O-N 3.34Å; Q129-S132 PolarHBondContact O-OG 2.89Å
130E76.5Confident72.8Confident156 Ų156117.7 Ų117.773%0.72961%0.607SS**Hα-helixtrans-67.9-34.5176-72.9178168.300112.7M126 S132M126-E130 WeakPolarHBondContact O-CG 3.27Å; M126-E130 PolarHBondContact O-N 3.07Å; E130-S132 VanDerWaalsContact C-N 3.3Å; E130-S132 PolarHBondContact O-N 3.16Å
131T75.2Confident70.5Confident122 Ų122122.4 Ų122.475%0.74862%0.619SS**Hα-helixtrans-77.5-12.8178.1490000113.5K127 E128K127-T131 WeakPolarHBondContact O-CG2 3.37Å; K127-T131 PolarHBondContact O-N 3.32Å; K127-T131 VanDerWaalsContact O-N 3.12Å; K127-T131 PolarHBondContact O-OG1 3.37Å; E128-T131 WeakPolarHBondContact CA-OG1 3.44Å; E128-T131 PolarHBondContact O-OG1 3.23Å; E128-T131 VanDerWaalsContact O-OG1 3.12Å
132S63.5Low68.3Low87 Ų87121.4 Ų121.461%0.60863%0.633SS**THydrogen-bonded Turntrans-100.931.417948.10000114.4E128 Q129 E130E128-S132 PolarHBondContact O-N 2.94Å; E128-S132 PolarHBondContact O-OG 2.83Å; Q129-S132 WeakPolarHBondContact CA-OG 3.27Å; Q129-S132 PolarHBondContact O-N 3.34Å; Q129-S132 PolarHBondContact O-OG 2.89Å; E130-S132 VanDerWaalsContact C-N 3.3Å; E130-S132 PolarHBondContact O-N 3.16Å
133G55.3Low66.4Low54 Ų54124.6 Ų124.656%0.55766%0.662SS**  trans-53.1160.9174.200000115.2
134P51.3Low64.6Low122 Ų122129.7 Ų129.779%0.79269%0.688SS**  trans-60.4138.9-134.418.7-26.6000114.5E136P134-E136 PolarHBondContact O-N 2.75Å
135L51.1Low62.5Low179 Ų179129.4 Ų129.494%0.93770%0.699SS**  trans-46.6107167.1-74.2166.4000109.1
136E50.9Low60.3Low169 Ų169129.7 Ų129.779%0.7971%0.71SS**  trans-49.6134.1170-77.9-90.3141.800108.8P134 F138P134-E136 PolarHBondContact O-N 2.75Å; E136-F138 PolarHBondContact O-N 3.47Å; E136-F138 VanDerWaalsContact O-N 3.12Å
137P49.1Very low58.3Low112 Ų112131.8 Ų131.873%0.72773%0.731SS**  trans-56.4122.1175.6-18.729.7000109.1D139P137-D139 VanDerWaalsContact C-N 3.29Å; P137-D139 PolarHBondContact O-N 3Å
138F50.4Low56.2Low186 Ų186131.2 Ų131.282%0.81674%0.739SS**  trans-67.189.1177.7-135.3-90.1000109.2E136 M140E136-F138 PolarHBondContact O-N 3.47Å; E136-F138 VanDerWaalsContact O-N 3.12Å; F138-M140 HydrophobicContact CD1-CG 4.02Å; F138-M140 HydrophobicContact CE1-CE 3.95Å; F138-M140 HydrophobicContact CE1-CG 4.11Å; F138-M140 PolarHBondContact O-N 2.9Å; F138-M140 VanDerWaalsContact O-N 3.14Å
139D52.1Low54Low149 Ų149132 Ų13280%0.79775%0.751SS**  trans-8675.9-179.3-143.83.4000109.2P137 R141P137-D139 VanDerWaalsContact C-N 3.29Å; P137-D139 PolarHBondContact O-N 3Å; D139-R141 VanDerWaalsContact C-N 3.34Å; D139-R141 PolarHBondContact O-N 2.85Å; D139-R141 VanDerWaalsContact O-N 3.08Å
140M56.3Low52.1Low160 Ų160131 Ų13179%0.78876%0.758SS**  trans-80.482.5172.2-96.6-134.7-141.700110.4F138 G142F138-M140 HydrophobicContact CD1-CG 4.02Å; F138-M140 HydrophobicContact CE1-CE 3.95Å; F138-M140 HydrophobicContact CE1-CG 4.11Å; F138-M140 PolarHBondContact O-N 2.9Å; F138-M140 VanDerWaalsContact O-N 3.14Å; M140-G142 VanDerWaalsContact C-N 3.26Å; M140-G142 PolarHBondContact O-N 3.46Å; M140-G142 VanDerWaalsContact O-N 3.08Å
141R47.4Very low50.3Low238 Ų238127.7 Ų127.790%0.89876%0.757SS**  trans-79.476164.3-144.1175-145.4-127.14.1109.4D139D139-R141 VanDerWaalsContact C-N 3.34Å; D139-R141 PolarHBondContact O-N 2.85Å; D139-R141 VanDerWaalsContact O-N 3.08Å
142G48Very low48.4Very low66 Ų66129.4 Ų129.468%0.6876%0.76SS**  trans-93.7112.817300000111.4M140 M144M140-G142 VanDerWaalsContact C-N 3.26Å; M140-G142 PolarHBondContact O-N 3.46Å; M140-G142 VanDerWaalsContact O-N 3.08Å; G142-M144 PolarHBondContact O-N 3.1Å
143S51.3Low47Very low123 Ų123135.6 Ų135.686%0.8677%0.772SS**  trans-60.6127.3174.1-55.10000112.1
144M53.8Low46Very low163 Ų163137.8 Ų137.880%0.80378%0.778SS**  trans-65.7158.5166.8-78.8-85.3-89.500111.3G142G142-M144 PolarHBondContact O-N 3.1Å
145P46.4Very low45.5Very low124 Ų124139.4 Ų139.481%0.80578%0.775SS**  -141.6128.290.726.4-5.9000116
146S45.6Very low44.9Very low90 Ų90138.5 Ų138.563%0.62977%0.766SS**  41.8114.3127.8-172.20000119.2
147S44Very low44.3Very low106 Ų106135.4 Ų135.474%0.74176%0.755SS**  -172113.6106.1170000113.4
148T43.8Very low43.7Very low122 Ų122140.3 Ų140.375%0.74876%0.759SS**  trans61.6116.613117.30000122.9
149T41.2Very low43.1Very low120 Ų120137.5 Ų137.574%0.73676%0.756SS**  trans88.8103.4130.228.20000121.7
150S41.7Very low42.7Very low104 Ų104135.7 Ų135.773%0.72776%0.756SS**  79.9110.7120.354.70000121.6
151A38.6Very low41.8Very low86 Ų86133.8 Ų133.871%0.71176%0.755SS**  78.5105.8122.400000120.6
152I35.2Very low41.4Very low157 Ų157129.5 Ų129.581%0.80576%0.755SS**  50.2114.9124-55.2164.2000116.9
153Y33.7Very low40.8Very low218 Ų218133.2 Ų133.286%0.85577%0.765SS**  trans-159.5138.2135.9-117.2-85.9000112.1
154S33.2Very low40.1Very low99 Ų99130.7 Ų130.769%0.69276%0.758SS**  trans-81.8164.8171.7176.70000111.4
155Q41.3Very low39.2Very low157 Ų157128.4 Ų128.473%0.73476%0.758SS**  trans136.3114.4155.4-76.8171.631.600111.7
156H39.2Very low38.9Very low160 Ų160130.5 Ų130.574%0.74176%0.757SS**  98.5134.976-99.7-83.1000114.2
157D37.9Very low38.7Very low103 Ų103133.8 Ų133.855%0.55177%0.767SS**  trans85.2120.7140.1-78.213.1000124.4
158R36.6Very low38.5Very low215 Ų215134 Ų13481%0.81177%0.766SS**  70.7141.9128.6-66.2175.3155.9144.2-11.8118.6
159V37.6Very low38.1Very low127 Ų127134.7 Ų134.777%0.7777%0.765SS**  -171.4119.763.1167.10000108.7
160S44.1Very low38Very low112 Ų112136.5 Ų136.578%0.78377%0.765SS**  77.3148.1107.8-52.90000121.3
161P37.4Very low37.6Very low120 Ų120136.6 Ų136.678%0.77977%0.766SS**  trans-117.9170.4-168.339.8-23.7000115.7
162V39.3Very low37.5Very low148 Ų148137.7 Ų137.790%0.89777%0.768SS**  trans-140.2144.6169.31760000113.1
163T34Very low37.6Very low144 Ų144140.6 Ų140.688%0.88378%0.775SS**  trans-78.3161-165.5-37.10000118
164G37.5Very low37.8Very low69 Ų69141.5 Ų141.571%0.71178%0.777SS**  trans136.298154.900000112.7
165S35.8Very low37.7Very low115 Ų115141.3 Ų141.380%0.80478%0.776SS**  80.5130.370.2-149.30000116.1
166E38.5Very low37.5Very low169 Ų169141.8 Ų141.879%0.7978%0.782SS**  trans97.399.5158.4-54.5-167.6148.200122
167L42.1Very low37.3Very low158 Ų158140.3 Ų140.383%0.82779%0.785SS**  49.3166.1118.6-67.2162.4000122
168P40Very low37.4Very low112 Ų112140.7 Ų140.773%0.72779%0.791SS**  -133.7179-74.737.7-16.6000114.7
169D35.1Very low37.5Very low136 Ų136136.2 Ų136.273%0.72778%0.783SS**  trans90.8134.9143.7-133.915.3000123.6
170Q38.8Very low37.9Very low157 Ų157140.7 Ų140.773%0.73479%0.786SS**  trans73113.7155.7-77.6170.148.100124
171S34.5Very low38Very low107 Ų107140.4 Ų140.475%0.74878%0.78SS**  trans87.9102.3134.776.80000119
172S35.2Very low38.2Very low109 Ų109139 Ų13976%0.76277%0.769SS**  trans155.888.6130.753.30000110.8
173F37.1Very low38Very low218 Ų218140.4 Ų140.496%0.95676%0.763SS**  trans-111.9102.7163.5-88.7-81.9000110.2
174R38.1Very low38.1Very low236 Ų236138.7 Ų138.789%0.89175%0.754SS**  trans-63.2135.4165-74.6177.7171.4-177.4-2.7109.3
175S32.1Very low38.1Very low95 Ų95141.7 Ų141.766%0.66476%0.759SS**  trans-34.1124.7169.6-177.20000114.6
176L35.8Very low38.1Very low167 Ų167141.5 Ų141.587%0.87476%0.758SS**  trans-116.292.6151-74.2172.3000107V178L176-V178 PolarHBondContact O-N 3.18Å
177T35.5Very low38.1Very low130 Ų130136 Ų13680%0.79874%0.741SS**  trans-65104.9165.8370000109
178V39.8Very low37.9Very low111 Ų111135.1 Ų135.167%0.67374%0.742SS**  trans-85.8107.8169.41780000108L176 R180L176-V178 PolarHBondContact O-N 3.18Å; V178-R180 HydrophobicContact CG1-CG 4.18Å; V178-R180 PolarHBondContact O-N 2.83Å
179D39.1Very low38.3Very low121 Ų121134.9 Ų134.965%0.64773%0.734SS**  trans-71.5118.3171-171.8-6000109.9T181D179-T181 WeakPolarHBondContact OD1-CB 3.49Å; D179-T181 WeakPolarHBondContact OD1-CG2 3.3Å; D179-T181 PolarHBondContact OD1-N 2.97Å; D179-T181 PolarHBondContact OD1-OG1 2.99Å; D179-T181 PolarHBondContact OD2-OG1 3.25Å
180R45.3Very low39.7Very low221 Ų221129.8 Ų129.883%0.83471%0.706SS**  trans-105.913.7-175.5-71.3-174.7173.8172-0.6113.2V178 T182V178-R180 HydrophobicContact CG1-CG 4.18Å; V178-R180 PolarHBondContact O-N 2.83Å; R180-T182 VanDerWaalsContact C-N 3.29Å; R180-T182 PolarHBondContact O-N 2.62Å
181T47.7Very low41.4Very low106 Ų106130.3 Ų130.365%0.6571%0.706SS**THydrogen-bonded Turntrans-75.1-4.4-168.751.90000116D179D179-T181 WeakPolarHBondContact OD1-CB 3.49Å; D179-T181 WeakPolarHBondContact OD1-CG2 3.3Å; D179-T181 PolarHBondContact OD1-N 2.97Å; D179-T181 PolarHBondContact OD1-OG1 2.99Å; D179-T181 PolarHBondContact OD2-OG1 3.25Å
182T41.4Very low43.4Very low89 Ų89127.5 Ų127.555%0.54668%0.682SS.*THydrogen-bonded Turntrans-12612.6-169.859.90000116.1K121 R180K121-T182 PolarHBondContact NZ-O 3.35Å; R180-T182 VanDerWaalsContact C-N 3.29Å; R180-T182 PolarHBondContact O-N 2.62Å
183K34.9Very low45.8Very low179 Ų179126 Ų12678%0.77867%0.671SS**SBendtrans-95.5117.9170.6-148.4173-170.61780108.3T185K183-T185 PolarHBondContact O-N 2.95Å
184P36.5Very low48.4Very low108 Ų108116.6 Ų116.670%0.70163%0.63SS**  trans-56.1122.4169.125.3-30.3000105.2S186P184-S186 PolarHBondContact O-N 3.31Å
185T36.9Very low51Low132 Ų132107 Ų10781%0.8159%0.594SS**  trans-65.692.3168.4-21.40000103.8K183 A187K183-T185 PolarHBondContact O-N 2.95Å; T185-A187 PolarHBondContact O-N 2.89Å
186S35.4Very low54.1Low111 Ų111104.4 Ų104.478%0.77658%0.575SS**  trans-67.162.6163.649.80000106.8P184 V188P184-S186 PolarHBondContact O-N 3.31Å; S186-V188 PolarHBondContact O-N 3.17Å
187A39.7Very low57.1Low52 Ų5296.5 Ų96.543%0.4353%0.533SS..  trans-59.2122.9153.700000103.9T185 L189T185-A187 PolarHBondContact O-N 2.89Å; A187-L189 PolarHBondContact O-N 2.95Å
188V36.2Very low60Low140 Ų14092.2 Ų92.285%0.84851%0.506SS*.  trans-55.398.5168.4177.60000105.6S186 N190S186-V188 PolarHBondContact O-N 3.17Å; V188-N190 PolarHBondContact O-N 2.9Å
189L49Very low62.8Low108 Ų10887 Ų8757%0.56547%0.474SS*.  trans-68.9121.9177.4-77.5131.5000105.6A187 S193A187-L189 PolarHBondContact O-N 2.95Å; L189-S193 VanDerWaalsContact CD2-CA 3.45Å; L189-S193 WeakPolarHBondContact CD2-O 3.38Å
190N65.3Low65.7Low28 Ų2881.3 Ų81.315%0.1544%0.443CS..  trans-62.8179.4172.453.256.5000110.5V188 H192 S193 L194 D350 H351V188-N190 PolarHBondContact O-N 2.9Å; N190-H192 PolarHBondContact O-N 2.95Å; N190-H192 PolarHBondContact OD1-N 3.4Å; N190-H192 VanDerWaalsContact OD1-N 3.17Å; N190-S193 PolarHBondContact O-N 3.28Å; N190-S193 PolarHBondContact OD1-N 3.47Å; N190-L194 PolarHBondContact ND2-O 2.93Å; N190-L194 PolarHBondContact OD1-N 3.34Å; N190-D350 HydrophobicContact CB-CB 4.29Å; N190-D350 WeakPolarHBondContact CB-OD2 3.47Å; N190-H351 WeakPolarHBondContact ND2-CB 3.49Å
191K73.8Confident68.2Low168 Ų16873.6 Ų73.673%0.7342%0.419SS*.THydrogen-bonded Turntrans-53.5-27.6-175.2-174.4-176.5174.3-171.70112.4D350K191-D350 VanDerWaalsContact CB-OD2 3.28Å; K191-D350 WeakPolarHBondContact CB-OD2 3.4Å; K191-D350 PolarHBondContact N-OD2 3.03Å; K191-D350 VanDerWaalsContact N-OD2 3.11Å
192H77.4Confident70.6Confident49 Ų4970 Ų7023%0.22740%0.398CS..THydrogen-bonded Turntrans-1087.5-177.2-61-66.3000114.1N190 L194 Q347 D350N190-H192 PolarHBondContact O-N 2.95Å; N190-H192 PolarHBondContact OD1-N 3.4Å; N190-H192 VanDerWaalsContact OD1-N 3.17Å; H192-L194 HydrophobicContact CB-CD1 4.01Å; H192-L194 HydrophobicContact CB-CG 3.85Å; H192-L194 PolarHBondContact O-N 2.96Å; H192-Q347 PolarHBondContact NE2-NE2 3.05Å; H192-D350 IonicContact CD2-OD2 3.73Å
193S85.3Confident73.3Confident76 Ų7665.9 Ų65.953%0.53137%0.373SS..  trans56.928.5-179.2-68.10000114.6L189 N190L189-S193 VanDerWaalsContact CD2-CA 3.45Å; L189-S193 WeakPolarHBondContact CD2-O 3.38Å; N190-S193 PolarHBondContact O-N 3.28Å; N190-S193 PolarHBondContact OD1-N 3.47Å
194L91.7Very high76.3Confident21 Ų2157.4 Ų57.411%0.1134%0.336CS..PPolyproline II helixtrans-84.3152.3-178.4-65.4-178.1000111.8N190 H192 P300 E301 M318 H351N190-L194 PolarHBondContact ND2-O 2.93Å; N190-L194 PolarHBondContact OD1-N 3.34Å; H192-L194 HydrophobicContact CB-CD1 4.01Å; H192-L194 HydrophobicContact CB-CG 3.85Å; H192-L194 PolarHBondContact O-N 2.96Å; L194-P300 HydrophobicContact CD2-CB 3.68Å; L194-E301 HydrophobicContact CB-CG 4.03Å; L194-E301 HydrophobicContact CD2-CG 4.18Å; L194-M318 HydrophobicContact CD1-CE 3.74Å; L194-M318 HydrophobicContact CD1-SD 4.49Å; L194-H351 HydrophobicContact CB-CB 3.89Å
195R92.9Very high79.3Confident36 Ų3657 Ų5714%0.13633%0.325CS..PPolyproline II helixtrans-74.2146.2175.2-74.7161.1-67.6-170.49.5111.4Y49 V197 F234 E301Y49-R195 PolarHBondContact OH-NH1 2.89Å; Y49-R195 PolarHBondContact OH-NH2 3.48Å; R195-V197 PolarHBondContact O-N 2.76Å; R195-F234 HydrophobicContact CB-CD2 4.06Å; R195-F234 HydrophobicContact CB-CE2 3.93Å; R195-E301 HydrophobicContact CB-CG 4.33Å; R195-E301 IonicContact CZ-OE1 3.94Å; R195-E301 PolarHBondContact N-OE1 3.29Å; R195-E301 IonicContact NE-OE1 3.7Å; R195-E301 PolarHBondContact NE-OE1 3.34Å; R195-E301 VanDerWaalsContact NH2-CD 3.29Å; R195-E301 IonicContact NH2-OE1 3.62Å; R195-E301 PolarHBondContact NH2-OE1 3.18Å; R195-E301 IonicContact NH2-OE2 3.31Å; R195-E301 PolarHBondContact NH2-OE2 3.03Å
196P96.5Very high82.2Confident40 Ų4053.4 Ų53.426%0.2630%0.299SS..PPolyproline II helixtrans-61.2137.9178.2-2434.2000112.6K233 F234 H351P196-K233 HydrophobicContact CB-CB 4.47Å; P196-K233 HydrophobicContact CB-CG 4.18Å; P196-K233 HydrophobicContact CG-CG 4.16Å; P196-F234 PolarHBondContact O-N 3.37Å; P196-H351 CarbonylContact C-O 3.49Å; P196-H351 VanDerWaalsContact CA-O 3.22Å; P196-H351 WeakPolarHBondContact CA-O 3.47Å
197V97.9Very high85.2Confident0 Ų048.1 Ų48.10%026%0.262CS..EExtended strand (participates in β ladder)trans-113.8112.3171.5-179.50000108.9R195 V199 F234 V236 E301 V303 H351 A352 S353R195-V197 PolarHBondContact O-N 2.76Å; V197-V199 HydrophobicContact CG1-CG2 4.2Å; V197-F234 CarbonylContact C-O 3.42Å; V197-F234 WeakPolarHBondContact CA-O 3.4Å; V197-F234 HydrophobicContact CG2-CB 4.05Å; V197-F234 HydrophobicContact CG2-CD2 4.2Å; V197-V236 HydrophobicContact CG1-CG2 4.17Å; V197-E301 HydrophobicContact CG2-CB 4.1Å; V197-V303 HydrophobicContact CB-CG2 4.12Å; V197-V303 HydrophobicContact CG1-CG2 3.97Å; V197-V303 HydrophobicContact CG2-CG2 4.21Å; V197-H351 PolarHBondContact N-O 3.49Å; V197-A352 HydrophobicContact CB-CB 4.11Å; V197-A352 VanDerWaalsContact O-CA 3.26Å; V197-A352 WeakPolarHBondContact O-CA 3.44Å; V197-S353 PolarHBondContact O-N 3.19Å
198L98.2Very high88Confident41 Ų4147.5 Ų47.522%0.21525%0.251CS..EExtended strand (participates in β ladder)trans-97.4121.8-179.3-55.7-175.2000109.5K233 F234 I235 V236 S353 T355L198-K233 HydrophobicContact CD1-CD 4.32Å; L198-F234 PolarHBondContact N-O 2.87Å; L198-I235 HydrophobicContact CD1-CG1 4.36Å; L198-V236 PolarHBondContact O-N 3.32Å; L198-S353 WeakPolarHBondContact CD2-OG 3.22Å; L198-T355 HydrophobicContact CB-CG2 3.96Å; L198-T355 HydrophobicContact CD2-CG2 4.11Å; L198-T355 HydrophobicContact CG-CG2 4.45Å
199V98.6Very high90.9Very high1 Ų147.6 Ų47.61%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-114.2115.4-178.2-173.30000109.5V197 N201 V204 V236 I305 L316 S353 L354 T355V197-V199 HydrophobicContact CG1-CG2 4.2Å; V199-N201 PolarHBondContact O-N 2.99Å; V199-V204 HydrophobicContact CG1-CG2 4.48Å; V199-V236 HydrophobicContact CG2-CG2 3.92Å; V199-I305 HydrophobicContact CB-CD1 4.47Å; V199-I305 HydrophobicContact CG1-CD1 3.75Å; V199-I305 HydrophobicContact CG2-CD1 4.13Å; V199-L316 HydrophobicContact CG2-CD2 4.45Å; V199-S353 PolarHBondContact N-O 3.05Å; V199-L354 HydrophobicContact CB-CD2 4.14Å; V199-L354 HydrophobicContact CG1-CD2 4.19Å; V199-L354 CarbonylContact O-C 3.53Å; V199-L354 VanDerWaalsContact O-CA 3.25Å; V199-L354 WeakPolarHBondContact O-CA 3.46Å; V199-T355 PolarHBondContact O-N 3.47Å; V199-T355 PolarHBondContact O-OG1 2.8Å
200P98.3Very high93.2Very high1 Ų144.5 Ų44.51%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-55.8122.6170.8-30.537.4000112.2S202 L203 V236 A357P200-S202 PolarHBondContact O-N 2.78Å; P200-L203 HydrophobicContact CB-CB 4.44Å; P200-L203 HydrophobicContact CB-CD1 4.05Å; P200-L203 HydrophobicContact CB-CG 4.12Å; P200-L203 HydrophobicContact CG-CD1 3.97Å; P200-L203 WeakPolarHBondContact O-CB 3.42Å; P200-L203 PolarHBondContact O-N 2.93Å; P200-V236 WeakPolarHBondContact CD-O 3.25Å; P200-V236 WeakPolarHBondContact CG-O 3.3Å; P200-A357 HydrophobicContact CB-CB 4.46Å; P200-A357 WeakPolarHBondContact CB-O 3.42Å; P200-A357 HydrophobicContact CG-CB 4.2Å
201N97.9Very high94.7Very high59 Ų5943.2 Ų43.232%0.31622%0.221SC..Hα-helixtrans-61.2-28.7174.9-174.449.1000111.3V199 L203 V204 Q205 T355V199-N201 PolarHBondContact O-N 2.99Å; N201-L203 PolarHBondContact O-N 3.13Å; N201-V204 WeakPolarHBondContact O-CB 3.23Å; N201-V204 PolarHBondContact O-N 3.29Å; N201-V204 VanDerWaalsContact O-N 3.14Å; N201-Q205 WeakPolarHBondContact O-CG 3.27Å; N201-Q205 PolarHBondContact O-N 3.35Å; N201-Q205 VanDerWaalsContact O-N 3.08Å; N201-T355 PolarHBondContact N-O 3.3Å
202S98.2Very high95.8Very high32 Ų3238.2 Ų38.222%0.22421%0.207CC..Hα-helixtrans-57.2-33.5174.4780000113.1P200 Q206 T358 G359P200-S202 PolarHBondContact O-N 2.78Å; S202-Q206 WeakPolarHBondContact O-CB 3.19Å; S202-Q206 VanDerWaalsContact O-CG 3.27Å; S202-Q206 WeakPolarHBondContact O-CG 3.41Å; S202-Q206 PolarHBondContact O-N 3.32Å; S202-Q206 PolarHBondContact O-NE2 3.46Å; S202-Q206 VanDerWaalsContact O-NE2 3.17Å; S202-T358 WeakPolarHBondContact OG-CA 3.49Å; S202-G359 PolarHBondContact OG-N 3.35Å
203L98.6Very high96.7Very high1 Ų139.6 Ų39.61%0.00522%0.219CC..Hα-helixtrans-72.5-37.2179.2-78.5172.5000111.4P200 N201 Q205 F207 V236 V239 G359P200-L203 HydrophobicContact CB-CB 4.44Å; P200-L203 HydrophobicContact CB-CD1 4.05Å; P200-L203 HydrophobicContact CB-CG 4.12Å; P200-L203 HydrophobicContact CG-CD1 3.97Å; P200-L203 WeakPolarHBondContact O-CB 3.42Å; P200-L203 PolarHBondContact O-N 2.93Å; N201-L203 PolarHBondContact O-N 3.13Å; L203-Q205 VanDerWaalsContact C-N 3.34Å; L203-F207 VanDerWaalsContact O-CB 3.24Å; L203-F207 WeakPolarHBondContact O-CB 3.09Å; L203-F207 PolarHBondContact O-N 3.43Å; L203-V236 HydrophobicContact CD1-CG1 3.73Å; L203-V239 HydrophobicContact CB-CG2 3.87Å; L203-V239 HydrophobicContact CD1-CG2 4.18Å; L203-V239 HydrophobicContact CD2-CB 4.25Å; L203-V239 HydrophobicContact CD2-CG2 3.97Å; L203-V239 HydrophobicContact CG-CG2 4.23Å; L203-G359 VanDerWaalsContact CD2-C 3.46Å
204V98.5Very high97.3Very high1 Ų137.7 Ų37.71%0.00620%0.202CC..Hα-helixtrans-63.3-44174.1-179.60000110.1V199 N201 F207 L208 I274 V314 L354V199-V204 HydrophobicContact CG1-CG2 4.48Å; N201-V204 WeakPolarHBondContact O-CB 3.23Å; N201-V204 PolarHBondContact O-N 3.29Å; N201-V204 VanDerWaalsContact O-N 3.14Å; V204-F207 PolarHBondContact O-N 2.85Å; V204-L208 HydrophobicContact CG1-CD1 4.38Å; V204-L208 WeakPolarHBondContact O-CG 3.3Å; V204-L208 PolarHBondContact O-N 3.24Å; V204-I274 HydrophobicContact CG2-CD1 4.27Å; V204-V314 HydrophobicContact CG1-CG1 4.06Å; V204-V314 HydrophobicContact CG1-CG2 3.84Å; V204-L354 HydrophobicContact CG2-CD2 4Å
205Q98.1Very high97.5Very high101 Ų10137.9 Ų37.947%0.47221%0.205SC..Hα-helixtrans-64.6-47.3177.1-62.6-56.4-41.100112.4N201 L203 F207 L208 E209N201-Q205 WeakPolarHBondContact O-CG 3.27Å; N201-Q205 PolarHBondContact O-N 3.35Å; N201-Q205 VanDerWaalsContact O-N 3.08Å; L203-Q205 VanDerWaalsContact C-N 3.34Å; Q205-F207 VanDerWaalsContact C-N 3.27Å; Q205-F207 PolarHBondContact O-N 3.16Å; Q205-L208 PolarHBondContact O-N 3.26Å; Q205-E209 PolarHBondContact O-N 3.34Å
206Q98.4Very high97.7Very high55 Ų5540.8 Ų40.826%0.25723%0.231SC..Hα-helixtrans-57.5-41.5173.7-75.7170.366.600111.5S202 E209 V210 G359 L361S202-Q206 WeakPolarHBondContact O-CB 3.19Å; S202-Q206 VanDerWaalsContact O-CG 3.27Å; S202-Q206 WeakPolarHBondContact O-CG 3.41Å; S202-Q206 PolarHBondContact O-N 3.32Å; S202-Q206 PolarHBondContact O-NE2 3.46Å; S202-Q206 VanDerWaalsContact O-NE2 3.17Å; Q206-E209 WeakPolarHBondContact O-CB 3.32Å; Q206-E209 PolarHBondContact O-N 3.4Å; Q206-V210 WeakPolarHBondContact O-CG2 3.5Å; Q206-V210 PolarHBondContact O-N 3.41Å; Q206-G359 PolarHBondContact NE2-O 2.96Å; Q206-L361 HydrophobicContact CB-CB 4Å; Q206-L361 HydrophobicContact CB-CD1 3.97Å; Q206-L361 VanDerWaalsContact OE1-N 3.11Å
207F98.5Very high97.7Very high0 Ų047.1 Ų47.10%025%0.249CC..Hα-helixtrans-64.2-43.1178.2-178.8-104.8000112.6L203 V204 Q205 E209 V210 S211 T221 V239 V241 I274 T276 L361L203-F207 VanDerWaalsContact O-CB 3.24Å; L203-F207 WeakPolarHBondContact O-CB 3.09Å; L203-F207 PolarHBondContact O-N 3.43Å; V204-F207 PolarHBondContact O-N 2.85Å; Q205-F207 VanDerWaalsContact C-N 3.27Å; Q205-F207 PolarHBondContact O-N 3.16Å; F207-E209 VanDerWaalsContact C-N 3.3Å; F207-E209 PolarHBondContact O-N 3.49Å; F207-V210 WeakPolarHBondContact O-CG2 3.36Å; F207-V210 PolarHBondContact O-N 2.95Å; F207-S211 VanDerWaalsContact O-CB 3.26Å; F207-S211 WeakPolarHBondContact O-CB 3.4Å; F207-S211 PolarHBondContact O-N 3.44Å; F207-S211 PolarHBondContact O-OG 3.42Å; F207-T221 HydrophobicContact CE2-CG2 4.34Å; F207-T221 HydrophobicContact CZ-CG2 4.39Å; F207-T221 WeakPolarHBondContact CZ-O 3.32Å; F207-V239 HydrophobicContact CD2-CG1 3.98Å; F207-V241 HydrophobicContact CD2-CG2 4.05Å; F207-V241 HydrophobicContact CE2-CG2 4.18Å; F207-I274 HydrophobicContact CB-CD1 4.18Å; F207-I274 HydrophobicContact CD1-CD1 3.62Å; F207-I274 HydrophobicContact CD1-CG1 3.66Å; F207-I274 HydrophobicContact CD1-CG2 4.24Å; F207-I274 HydrophobicContact CD2-CG2 3.99Å; F207-I274 HydrophobicContact CE1-CB 4.46Å; F207-I274 HydrophobicContact CE1-CD1 4.21Å; F207-I274 HydrophobicContact CE1-CG1 3.71Å; F207-I274 HydrophobicContact CE1-CG2 4.22Å; F207-I274 HydrophobicContact CE2-CG2 3.98Å; F207-I274 HydrophobicContact CG-CD1 3.97Å; F207-I274 HydrophobicContact CG-CG1 4.27Å; F207-I274 HydrophobicContact CG-CG2 4.11Å; F207-I274 HydrophobicContact CZ-CG1 4.36Å; F207-I274 HydrophobicContact CZ-CG2 4.08Å; F207-T276 HydrophobicContact CD1-CG2 4.44Å; F207-T276 HydrophobicContact CE1-CG2 3.74Å; F207-T276 HydrophobicContact CZ-CG2 4.47Å; F207-L361 HydrophobicContact CB-CD1 4.08Å; F207-L361 HydrophobicContact CD2-CD1 4.42Å
208L98.2Very high97.6Very high39 Ų3950 Ų5020%0.20427%0.265CS..Hα-helixtrans-61-38.9173.7-75.5175.1000112.1V204 Q205 S211 S212 T276 C307 P309V204-L208 HydrophobicContact CG1-CD1 4.38Å; V204-L208 WeakPolarHBondContact O-CG 3.3Å; V204-L208 PolarHBondContact O-N 3.24Å; Q205-L208 PolarHBondContact O-N 3.26Å; L208-S211 WeakPolarHBondContact CA-OG 3.24Å; L208-S211 PolarHBondContact O-OG 2.55Å; L208-S212 PolarHBondContact O-N 2.9Å; L208-S212 VanDerWaalsContact O-N 3.09Å; L208-T276 HydrophobicContact CD2-CG2 4.4Å; L208-C307 HydrophobicContact CD2-CB 3.73Å; L208-C307 HydrophobicContact CG-CB 4.44Å; L208-P309 HydrophobicContact CD2-CB 4.5Å; L208-P309 HydrophobicContact CD2-CG 3.72Å
209E97.8Very high97.6Very high143 Ų14350.3 Ų50.367%0.66827%0.266SS*.Hα-helixtrans-64-51.4176.6-174.1175.8-174.400111.8Q205 Q206 F207 S211 S212Q205-E209 PolarHBondContact O-N 3.34Å; Q206-E209 WeakPolarHBondContact O-CB 3.32Å; Q206-E209 PolarHBondContact O-N 3.4Å; F207-E209 VanDerWaalsContact C-N 3.3Å; F207-E209 PolarHBondContact O-N 3.49Å; E209-S211 VanDerWaalsContact C-N 3.28Å; E209-S211 PolarHBondContact O-N 2.96Å; E209-S212 VanDerWaalsContact O-CB 3.23Å; E209-S212 WeakPolarHBondContact O-CB 3.23Å; E209-S212 PolarHBondContact O-N 3.3Å; E209-S212 PolarHBondContact O-OG 3.25Å
210V97.1Very high97.5Very high43 Ų4350.4 Ų50.426%0.26127%0.267SS..Hα-helixtrans-72.6-19.5-178.6-58.10000113.9Q206 F207 V241 L361 R365Q206-V210 WeakPolarHBondContact O-CG2 3.5Å; Q206-V210 PolarHBondContact O-N 3.41Å; F207-V210 WeakPolarHBondContact O-CG2 3.36Å; F207-V210 PolarHBondContact O-N 2.95Å; V210-V241 HydrophobicContact CG2-CG2 4.16Å; V210-L361 HydrophobicContact CG1-CD1 4.38Å; V210-L361 HydrophobicContact CG1-CD2 3.92Å; V210-L361 HydrophobicContact CG2-CD1 3.64Å; V210-L361 HydrophobicContact CG2-CD2 4.07Å; V210-R365 PolarHBondContact O-NH2 3.45Å
211S97.2Very high97.5Very high0 Ų050.4 Ų50.40%027%0.266CS..Hα-helixtrans-92.3-5.8174.9620000113.2F207 L208 E209 V213 N214 T215 T276F207-S211 VanDerWaalsContact O-CB 3.26Å; F207-S211 WeakPolarHBondContact O-CB 3.4Å; F207-S211 PolarHBondContact O-N 3.44Å; F207-S211 PolarHBondContact O-OG 3.42Å; L208-S211 WeakPolarHBondContact CA-OG 3.24Å; L208-S211 PolarHBondContact O-OG 2.55Å; E209-S211 VanDerWaalsContact C-N 3.28Å; E209-S211 PolarHBondContact O-N 2.96Å; S211-V213 VanDerWaalsContact C-N 3.33Å; S211-V213 PolarHBondContact O-N 3.36Å; S211-N214 PolarHBondContact O-N 3.45Å; S211-T215 WeakPolarHBondContact O-CB 3.42Å; S211-T215 PolarHBondContact O-N 3.04Å; S211-T215 PolarHBondContact O-OG1 3.42Å; S211-T276 WeakPolarHBondContact OG-CG2 3.39Å
212S97Very high97.5Very high63 Ų6347.9 Ų47.944%0.44125%0.253SS..Hα-helixtrans-56.4-41-174.862.40000113.7L208 E209 T215 S216L208-S212 PolarHBondContact O-N 2.9Å; L208-S212 VanDerWaalsContact O-N 3.09Å; E209-S212 VanDerWaalsContact O-CB 3.23Å; E209-S212 WeakPolarHBondContact O-CB 3.23Å; E209-S212 PolarHBondContact O-N 3.3Å; E209-S212 PolarHBondContact O-OG 3.25Å; S212-T215 PolarHBondContact O-N 3.44Å; S212-S216 WeakPolarHBondContact O-CB 3.34Å; S212-S216 PolarHBondContact O-N 3.3Å
213V96.2Very high97.5Very high78 Ų7846.3 Ų46.347%0.47324%0.242SC..Hα-helixtrans-61.7-48178.7177.90000111.1S211 S216 R217S211-V213 VanDerWaalsContact C-N 3.33Å; S211-V213 PolarHBondContact O-N 3.36Å; V213-S216 PolarHBondContact O-N 2.72Å; V213-S216 PolarHBondContact O-OG 3.07Å; V213-R217 PolarHBondContact O-N 2.91Å
214N96.9Very high97.5Very high36 Ų3646.6 Ų46.619%0.19324%0.244CC..Hα-helixtrans-66.5-44.1176.7-79.4-5.2000111.2S211 S216 R217 N218 I219 T221S211-N214 PolarHBondContact O-N 3.45Å; N214-S216 VanDerWaalsContact C-N 3.29Å; N214-S216 PolarHBondContact O-N 3.29Å; N214-R217 CarbonylContact O-C 3.55Å; N214-R217 WeakPolarHBondContact O-CA 3.2Å; N214-R217 PolarHBondContact O-N 3.39Å; N214-N218 PolarHBondContact O-N 3.2Å; N214-I219 CarbonylContact C-O 3.5Å; N214-I219 VanDerWaalsContact C-O 3.29Å; N214-I219 HydrophobicContact CB-CB 3.97Å; N214-I219 HydrophobicContact CB-CG2 4.07Å; N214-I219 WeakPolarHBondContact CB-O 3.43Å; N214-I219 WeakPolarHBondContact O-CB 3.49Å; N214-I219 PolarHBondContact O-N 2.94Å; N214-T221 VanDerWaalsContact CB-OG1 3.27Å; N214-T221 WeakPolarHBondContact CB-OG1 3.34Å; N214-T221 PolarHBondContact ND2-OG1 3.17Å
215T96.7Very high97.4Very high26 Ų2646.6 Ų46.616%0.1624%0.244CC..Hα-helixtrans-55.9-44177.5-59.40000111.3S211 S212 R217 N218 P278 P309S211-T215 WeakPolarHBondContact O-CB 3.42Å; S211-T215 PolarHBondContact O-N 3.04Å; S211-T215 PolarHBondContact O-OG1 3.42Å; S212-T215 PolarHBondContact O-N 3.44Å; T215-R217 PolarHBondContact O-N 3.32Å; T215-N218 PolarHBondContact O-N 3.18Å; T215-P278 HydrophobicContact CG2-CB 3.96Å; T215-P309 HydrophobicContact CG2-CB 4.15Å; T215-P309 HydrophobicContact CG2-CG 3.81Å
216S96.6Very high97.4Very high97 Ų9741.8 Ų41.868%0.67822%0.221SC*.Hα-helixtrans-62.9-22.3177.176.40000114S212 V213 N214S212-S216 WeakPolarHBondContact O-CB 3.34Å; S212-S216 PolarHBondContact O-N 3.3Å; V213-S216 PolarHBondContact O-N 2.72Å; V213-S216 PolarHBondContact O-OG 3.07Å; N214-S216 VanDerWaalsContact C-N 3.29Å; N214-S216 PolarHBondContact O-N 3.29Å
217R96.8Very high97.3Very high172 Ų17239.2 Ų39.265%0.64921%0.209SC*.THydrogen-bonded Turntrans-98.59.7177.4-63.4175.7-176.5177.81.3112.5V213 N214 T215 I219V213-R217 PolarHBondContact O-N 2.91Å; N214-R217 CarbonylContact O-C 3.55Å; N214-R217 WeakPolarHBondContact O-CA 3.2Å; N214-R217 PolarHBondContact O-N 3.39Å; T215-R217 PolarHBondContact O-N 3.32Å; R217-I219 VanDerWaalsContact C-N 3.34Å; R217-I219 HydrophobicContact CB-CD1 4Å; R217-I219 HydrophobicContact CB-CG1 4.19Å
218N96.5Very high97.1Very high61 Ų6143.7 Ų43.733%0.32623%0.229SC..THydrogen-bonded Turntrans5548.2-173-164.847000112.2N214 T215 A248 C279N214-N218 PolarHBondContact O-N 3.2Å; T215-N218 PolarHBondContact O-N 3.18Å; N218-A248 WeakPolarHBondContact ND2-CB 3.41Å; N218-A248 WeakPolarHBondContact O-CA 3.4Å; N218-C279 WeakPolarHBondContact OD1-CB 3.26Å; N218-C279 PolarHBondContact OD1-SG 3.44Å
219I97.2Very high96.8Very high47 Ų4742.6 Ų42.624%0.24122%0.223CC..  trans-120.6124.8177-64173.4000108.5N214 R217 T247N214-I219 CarbonylContact C-O 3.5Å; N214-I219 VanDerWaalsContact C-O 3.29Å; N214-I219 HydrophobicContact CB-CB 3.97Å; N214-I219 HydrophobicContact CB-CG2 4.07Å; N214-I219 WeakPolarHBondContact CB-O 3.43Å; N214-I219 WeakPolarHBondContact O-CB 3.49Å; N214-I219 PolarHBondContact O-N 2.94Å; R217-I219 VanDerWaalsContact C-N 3.34Å; R217-I219 HydrophobicContact CB-CD1 4Å; R217-I219 HydrophobicContact CB-CG1 4.19Å; I219-T247 CarbonylContact C-O 3.6Å; I219-T247 WeakPolarHBondContact CA-O 2.96Å
220E97.5Very high96.5Very high4 Ų438.8 Ų38.82%0.01921%0.209CC..  trans-66.1146.6172.6-59.7-162.2167.300111.4T247 S250 C251 H275 T276 H277E220-T247 PolarHBondContact N-O 2.86Å; E220-S250 WeakPolarHBondContact OE2-CA 3.35Å; E220-S250 PolarHBondContact OE2-N 2.86Å; E220-C251 HydrophobicContact CB-CB 4.2Å; E220-H275 IonicContact OE2-CD2 3.82Å; E220-T276 VanDerWaalsContact CG-O 3.24Å; E220-T276 WeakPolarHBondContact CG-O 3.36Å; E220-H277 IonicContact OE1-CD2 2.72Å; E220-H277 PolarHBondContact OE1-CD2 3.12Å; E220-H277 IonicContact OE1-NE2 2.86Å
221T98Very high96.1Very high0 Ų045.3 Ų45.30%024%0.237CC..  trans-129.5143.7172-55.70000108F207 N214 V241 H275 T276F207-T221 HydrophobicContact CE2-CG2 4.34Å; F207-T221 HydrophobicContact CZ-CG2 4.39Å; F207-T221 WeakPolarHBondContact CZ-O 3.32Å; N214-T221 VanDerWaalsContact CB-OG1 3.27Å; N214-T221 WeakPolarHBondContact CB-OG1 3.34Å; N214-T221 PolarHBondContact ND2-OG1 3.17Å; T221-V241 HydrophobicContact CG2-CG1 4.3Å; T221-H275 CarbonylContact O-C 3.56Å; T221-H275 WeakPolarHBondContact O-CA 3.4Å; T221-H275 WeakPolarHBondContact O-CB 3.42Å; T221-T276 PolarHBondContact N-OG1 3.19Å; T221-T276 PolarHBondContact O-N 2.89Å
222C98.1Very high95.6Very high6 Ų647 Ų474%0.04126%0.255CS..EExtended strand (participates in β ladder)trans-119.2159.6173.562.30000112.9Q244 C251 I274 H275C222-Q244 PolarHBondContact O-NE2 3.32Å; C222-Q244 PolarHBondContact SG-OE1 2.82Å; C222-C251 HydrophobicContact CB-CB 4.39Å; C222-C251 WeakPolarHBondContact CB-SG 3.07Å; C222-I274 CarbonylContact C-O 3.4Å; C222-I274 WeakPolarHBondContact CA-O 3.36Å; C222-H275 HydrophobicContact CB-CB 4.1Å
223G98Very high95.4Very high0 Ų048.8 Ų48.80%025%0.254CS..EExtended strand (participates in β ladder)trans-144.1157.2169.600000110.8I240 W273 I274G223-I240 CarbonylContact C-O 3.54Å; G223-I240 VanDerWaalsContact CA-O 3.29Å; G223-I240 WeakPolarHBondContact CA-O 3.48Å; G223-W273 CarbonylContact O-C 3.57Å; G223-W273 WeakPolarHBondContact O-CA 3.47Å; G223-I274 PolarHBondContact N-O 3.31Å; G223-I274 PolarHBondContact O-N 2.96Å
224I97.4Very high95.4Very high7 Ų745 Ų454%0.03623%0.232CC..EExtended strand (participates in β ladder)trans-98.2123.9179.3-54.3-52.8000109.3S226 V239 I240 I259 T270 W273I224-S226 PolarHBondContact O-N 2.77Å; I224-V239 WeakPolarHBondContact O-CA 3.13Å; I224-I240 PolarHBondContact N-O 3Å; I224-I240 PolarHBondContact O-N 2.87Å; I224-I259 HydrophobicContact CB-CG2 4.49Å; I224-I259 HydrophobicContact CG1-CD1 4.06Å; I224-I259 HydrophobicContact CG1-CG2 4.3Å; I224-T270 HydrophobicContact CG2-CG2 3.75Å; I224-W273 HydrophobicContact CD1-CB 4.43Å
225L98.3Very high95.4Very high1 Ų145.7 Ų45.71%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-75.9119.1175.2-56.7179.5000108.5V236 V239 L271 G272 I274 I305L225-V236 HydrophobicContact CB-CG1 4.22Å; L225-V236 HydrophobicContact CB-CG2 4.35Å; L225-V236 HydrophobicContact CD2-CG1 4.33Å; L225-V239 HydrophobicContact CD2-CG2 3.87Å; L225-L271 HydrophobicContact CB-CB 4.49Å; L225-L271 PolarHBondContact O-N 3.15Å; L225-G272 PolarHBondContact N-O 3.16Å; L225-I274 HydrophobicContact CD2-CB 3.97Å; L225-I274 HydrophobicContact CD2-CG2 3.88Å; L225-I305 HydrophobicContact CD1-CD1 3.56Å; L225-I305 HydrophobicContact CD1-CG1 3.84Å; L225-I305 HydrophobicContact CD2-CD1 4.16Å; L225-I305 HydrophobicContact CG-CD1 4.49Å
226S97.2Very high95.5Very high0 Ų044.5 Ų44.50%023%0.227CC..EExtended strand (participates in β ladder)trans-125.6137.9-177.1-58.30000110.7I224 T237 H238 Q263 I269I224-S226 PolarHBondContact O-N 2.77Å; S226-T237 PolarHBondContact O-N 3.4Å; S226-H238 PolarHBondContact N-O 2.98Å; S226-H238 PolarHBondContact O-N 3.23Å; S226-H238 VanDerWaalsContact O-O 3.12Å; S226-Q263 PolarHBondContact OG-NE2 3.15Å; S226-I269 CarbonylContact C-O 3.29Å; S226-I269 VanDerWaalsContact CA-O 3.26Å; S226-I269 WeakPolarHBondContact CA-O 3.45Å
227G96.7Very high95.6Very high0 Ų041.7 Ų41.70%021%0.206CC..EExtended strand (participates in β ladder)trans-163-167.4-170.400000115I235 L268 I269G227-I235 CarbonylContact C-O 3.56Å; G227-I235 WeakPolarHBondContact CA-O 3.41Å; G227-L268 WeakPolarHBondContact O-CA 3.18Å; G227-I269 PolarHBondContact N-O 3.22Å; G227-I269 PolarHBondContact O-N 3.37Å
228K94.4Very high95.7Very high94 Ų9435 Ų3541%0.40918%0.182SC..EExtended strand (participates in β ladder)trans-131.4152.3-177.5-61.6-170.5177.1-168.40110.4V230 F234 I235 L266 G267 L268K228-V230 HydrophobicContact CB-CG2 4.25Å; K228-F234 WeakPolarHBondContact O-CA 3.36Å; K228-I235 PolarHBondContact N-O 3.24Å; K228-I235 PolarHBondContact O-N 2.96Å; K228-L266 PolarHBondContact NZ-O 3.32Å; K228-G267 WeakPolarHBondContact CE-O 3.44Å; K228-L268 HydrophobicContact CG-CD2 4.13Å
229L92.2Very high95.8Very high16 Ų1632.1 Ų32.18%0.08417%0.167CC..EExtended strand (participates in β ladder)trans-83.2125164.4-177.768.4000108.2V48 Y49 D52 K233 F234V48-L229 HydrophobicContact CG1-CB 3.95Å; V48-L229 HydrophobicContact CG1-CD2 4.12Å; Y49-L229 HydrophobicContact CD1-CD2 3.54Å; Y49-L229 HydrophobicContact CE1-CD2 3.35Å; D52-L229 WeakPolarHBondContact OD2-CD2 3.32Å; L229-K233 WeakPolarHBondContact CA-O 3.38Å; L229-F234 HydrophobicContact CB-CD1 4.18Å; L229-F234 HydrophobicContact CB-CE1 4.06Å; L229-F234 HydrophobicContact CD1-CD1 3.93Å; L229-F234 HydrophobicContact CD1-CE1 3.74Å; L229-F234 HydrophobicContact CD1-CG 4.42Å; L229-F234 HydrophobicContact CD1-CZ 4.08Å; L229-F234 HydrophobicContact CG-CE1 4.4Å
230V90.9Very high95.8Very high63 Ų6329.9 Ų29.938%0.38216%0.155SC..EExtended strand (participates in β ladder)trans-137.7118.4177.5-178.10000107.9K228 G232 K233 I235K228-V230 HydrophobicContact CB-CG2 4.25Å; V230-G232 VanDerWaalsContact C-N 3.28Å; V230-G232 PolarHBondContact O-N 3.13Å; V230-K233 PolarHBondContact N-O 3.45Å; V230-K233 PolarHBondContact O-N 3.12Å; V230-I235 HydrophobicContact CB-CD1 3.9Å; V230-I235 HydrophobicContact CG1-CD1 4.43Å; V230-I235 HydrophobicContact CG2-CD1 4.17Å
231Q87.6Confident95.8Very high180 Ų18029.7 Ų29.784%0.84116%0.155SC*.THydrogen-bonded Turntrans52.943.8176.8-60.2177.9-12.600113.1K233Q231-K233 VanDerWaalsContact C-N 3.26Å; Q231-K233 PolarHBondContact O-N 3.42Å
232G87.2Confident95.7Very high36 Ų3629.7 Ų29.737%0.37116%0.155SC..THydrogen-bonded Turntrans74.58.7178.900000115.3V230V230-G232 VanDerWaalsContact C-N 3.28Å; V230-G232 PolarHBondContact O-N 3.13Å
233K93.5Very high95.6Very high100 Ų10031.7 Ų31.744%0.43516%0.163SC..EExtended strand (participates in β ladder)trans-120.4142.3176.4-57177.8-174.8176.40110.1P196 L198 L229 V230 Q231P196-K233 HydrophobicContact CB-CB 4.47Å; P196-K233 HydrophobicContact CB-CG 4.18Å; P196-K233 HydrophobicContact CG-CG 4.16Å; L198-K233 HydrophobicContact CD1-CD 4.32Å; L229-K233 WeakPolarHBondContact CA-O 3.38Å; V230-K233 PolarHBondContact N-O 3.45Å; V230-K233 PolarHBondContact O-N 3.12Å; Q231-K233 VanDerWaalsContact C-N 3.26Å; Q231-K233 PolarHBondContact O-N 3.42Å
234F95.9Very high95.5Very high0 Ų033 Ų330%017%0.169CC..EExtended strand (participates in β ladder)trans-84.9129.4169.7-65.1-68.9000109.6I45 Y49 R195 P196 V197 L198 K228 L229 L271 F299 E301I45-F234 HydrophobicContact CD1-CE1 3.88Å; I45-F234 HydrophobicContact CD1-CZ 3.93Å; Y49-F234 WeakPolarHBondContact OH-CZ 3.44Å; R195-F234 HydrophobicContact CB-CD2 4.06Å; R195-F234 HydrophobicContact CB-CE2 3.93Å; P196-F234 PolarHBondContact O-N 3.37Å; V197-F234 CarbonylContact C-O 3.42Å; V197-F234 WeakPolarHBondContact CA-O 3.4Å; V197-F234 HydrophobicContact CG2-CB 4.05Å; V197-F234 HydrophobicContact CG2-CD2 4.2Å; L198-F234 PolarHBondContact N-O 2.87Å; K228-F234 WeakPolarHBondContact O-CA 3.36Å; L229-F234 HydrophobicContact CB-CD1 4.18Å; L229-F234 HydrophobicContact CB-CE1 4.06Å; L229-F234 HydrophobicContact CD1-CD1 3.93Å; L229-F234 HydrophobicContact CD1-CE1 3.74Å; L229-F234 HydrophobicContact CD1-CG 4.42Å; L229-F234 HydrophobicContact CD1-CZ 4.08Å; L229-F234 HydrophobicContact CG-CE1 4.4Å; F234-L271 HydrophobicContact CB-CD1 3.95Å; F234-L271 HydrophobicContact CB-CD2 3.88Å; F234-L271 HydrophobicContact CD1-CD2 3.52Å; F234-L271 HydrophobicContact CE1-CD2 4.16Å; F234-L271 HydrophobicContact CG-CD2 3.76Å; F234-F299 HydrophobicContact CD1-CZ 4.27Å; F234-F299 HydrophobicContact CD2-CZ 4Å; F234-F299 HydrophobicContact CE1-CE2 4.16Å; F234-F299 AromaticContact CE1-CZ 3.85Å; F234-F299 HydrophobicContact CE1-CZ 3.85Å; F234-F299 AromaticContact CE2-CE2 3.96Å; F234-F299 HydrophobicContact CE2-CE2 3.96Å; F234-F299 AromaticContact CE2-CZ 3.55Å; F234-F299 HydrophobicContact CE2-CZ 3.55Å; F234-F299 HydrophobicContact CG-CZ 4.32Å; F234-F299 AromaticContact CZ-CE2 3.57Å; F234-F299 HydrophobicContact CZ-CE2 3.57Å; F234-F299 AromaticContact CZ-CZ 3.45Å; F234-F299 HydrophobicContact CZ-CZ 3.45Å; F234-F299 VanDerWaalsContact CZ-CZ 3.45Å; F234-E301 HydrophobicContact CD2-CB 4.22Å; F234-E301 HydrophobicContact CD2-CG 4.37Å; F234-E301 HydrophobicContact CE2-CB 4.09Å; F234-E301 HydrophobicContact CE2-CG 4.01Å
235I97.4Very high95.3Very high49 Ų4935.3 Ų35.325%0.25119%0.186SC..EExtended strand (participates in β ladder)trans-118114176.5-53.1-179000107.1L198 G227 K228 V230 T237L198-I235 HydrophobicContact CD1-CG1 4.36Å; G227-I235 CarbonylContact C-O 3.56Å; G227-I235 WeakPolarHBondContact CA-O 3.41Å; K228-I235 PolarHBondContact N-O 3.24Å; K228-I235 PolarHBondContact O-N 2.96Å; V230-I235 HydrophobicContact CB-CD1 3.9Å; V230-I235 HydrophobicContact CG1-CD1 4.43Å; V230-I235 HydrophobicContact CG2-CD1 4.17Å; I235-T237 HydrophobicContact CG2-CG2 4.26Å; I235-T237 PolarHBondContact O-N 3.08Å
236V98.5Very high95Very high1 Ų136.6 Ų36.61%0.00620%0.199CC..EExtended strand (participates in β ladder)trans-66.8123169.4-177.70000107.2V197 L198 V199 P200 L203 L225 L271V197-V236 HydrophobicContact CG1-CG2 4.17Å; L198-V236 PolarHBondContact O-N 3.32Å; V199-V236 HydrophobicContact CG2-CG2 3.92Å; P200-V236 WeakPolarHBondContact CD-O 3.25Å; P200-V236 WeakPolarHBondContact CG-O 3.3Å; L203-V236 HydrophobicContact CD1-CG1 3.73Å; L225-V236 HydrophobicContact CB-CG1 4.22Å; L225-V236 HydrophobicContact CB-CG2 4.35Å; L225-V236 HydrophobicContact CD2-CG1 4.33Å; V236-L271 HydrophobicContact CG2-CB 4.33Å; V236-L271 HydrophobicContact CG2-CD1 3.78Å
237T98.1Very high94.8Very high39 Ų3939.9 Ų39.924%0.23922%0.219CC..EExtended strand (participates in β ladder)trans-113.8-21.9179.352.30000111.8S226 I235 G359 L360S226-T237 PolarHBondContact O-N 3.4Å; I235-T237 HydrophobicContact CG2-CG2 4.26Å; I235-T237 PolarHBondContact O-N 3.08Å; T237-G359 CarbonylContact O-C 3.55Å; T237-G359 VanDerWaalsContact O-CA 3.27Å; T237-G359 WeakPolarHBondContact O-CA 3.24Å; T237-L360 PolarHBondContact O-N 2.87Å
238H98.6Very high94.6Very high30 Ų3041.2 Ų41.214%0.13923%0.23CC..EExtended strand (participates in β ladder)trans-136.7147.4-176.8-60.174.3000112.2S226 L268 L360S226-H238 PolarHBondContact N-O 2.98Å; S226-H238 PolarHBondContact O-N 3.23Å; S226-H238 VanDerWaalsContact O-O 3.12Å; H238-L268 HydrophobicContact CB-CD1 4.06Å; H238-L360 WeakPolarHBondContact CA-O 3.47Å
239V98.5Very high94.3Very high1 Ų141 Ų411%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-113.5120.8159.3173.40000107.1L203 F207 I224 L225 V241 I274 L360 L361 I362L203-V239 HydrophobicContact CB-CG2 3.87Å; L203-V239 HydrophobicContact CD1-CG2 4.18Å; L203-V239 HydrophobicContact CD2-CB 4.25Å; L203-V239 HydrophobicContact CD2-CG2 3.97Å; L203-V239 HydrophobicContact CG-CG2 4.23Å; F207-V239 HydrophobicContact CD2-CG1 3.98Å; I224-V239 WeakPolarHBondContact O-CA 3.13Å; L225-V239 HydrophobicContact CD2-CG2 3.87Å; V239-V241 HydrophobicContact CG1-CG2 4.2Å; V239-I274 HydrophobicContact CG1-CG2 3.89Å; V239-I274 HydrophobicContact CG2-CG2 4.45Å; V239-L360 PolarHBondContact N-O 2.7Å; V239-L361 HydrophobicContact CB-CD1 4.37Å; V239-L361 HydrophobicContact CB-CG 4.36Å; V239-L361 HydrophobicContact CG1-CD1 4.26Å; V239-L361 HydrophobicContact CG1-CG 4.5Å; V239-L361 CarbonylContact O-C 3.54Å; V239-L361 WeakPolarHBondContact O-CA 3.34Å; V239-I362 PolarHBondContact O-N 3.22Å
240I97.8Very high94.2Very high0 Ų042.3 Ų42.30%024%0.244CC..EExtended strand (participates in β ladder)trans-100114.6175.6-57172.6000107.3G223 I224 P242 I259 I262 Q263 I362 L364G223-I240 CarbonylContact C-O 3.54Å; G223-I240 VanDerWaalsContact CA-O 3.29Å; G223-I240 WeakPolarHBondContact CA-O 3.48Å; I224-I240 PolarHBondContact N-O 3Å; I224-I240 PolarHBondContact O-N 2.87Å; I240-P242 VanDerWaalsContact O-CD 3.23Å; I240-P242 WeakPolarHBondContact O-CD 3.38Å; I240-I259 HydrophobicContact CD1-CG2 4.25Å; I240-I259 HydrophobicContact CG2-CG2 4.4Å; I240-I262 HydrophobicContact CD1-CB 4.47Å; I240-I262 HydrophobicContact CD1-CG2 3.95Å; I240-Q263 HydrophobicContact CD1-CG 3.73Å; I240-I362 CarbonylContact C-O 3.58Å; I240-I362 WeakPolarHBondContact CA-O 3.27Å; I240-L364 HydrophobicContact CG2-CD1 3.63Å; I240-L364 HydrophobicContact CG2-CG 4.06Å
241V97.7Very high94.3Very high0 Ų040.6 Ų40.60%023%0.234CC..EExtended strand (participates in β ladder)trans-91.3103.7175.6-177.10000107.7F207 V210 T221 V239 L361 I362 L364 R365F207-V241 HydrophobicContact CD2-CG2 4.05Å; F207-V241 HydrophobicContact CE2-CG2 4.18Å; V210-V241 HydrophobicContact CG2-CG2 4.16Å; T221-V241 HydrophobicContact CG2-CG1 4.3Å; V239-V241 HydrophobicContact CG1-CG2 4.2Å; V241-L361 HydrophobicContact CG2-CD1 4.06Å; V241-L361 HydrophobicContact CG2-CD2 4.04Å; V241-L361 HydrophobicContact CG2-CG 4.15Å; V241-I362 PolarHBondContact N-O 2.94Å; V241-L364 WeakPolarHBondContact O-CB 3.39Å; V241-L364 PolarHBondContact O-N 2.98Å; V241-R365 HydrophobicContact CG1-CG 4.25Å
242P96.3Very high94.4Very high1 Ų137.3 Ų37.31%0.00622%0.222CC..  trans-75.7165.2-176.333-36000111.4I240 Q244 T253 I259 R365I240-P242 VanDerWaalsContact O-CD 3.23Å; I240-P242 WeakPolarHBondContact O-CD 3.38Å; P242-Q244 WeakPolarHBondContact O-CG 3.39Å; P242-Q244 PolarHBondContact O-N 2.87Å; P242-Q244 PolarHBondContact O-NE2 2.88Å; P242-T253 HydrophobicContact CG-CG2 3.69Å; P242-I259 HydrophobicContact CB-CD1 3.66Å; P242-I259 HydrophobicContact CB-CG1 3.97Å; P242-I259 HydrophobicContact CG-CD1 4.18Å; P242-R365 VanDerWaalsContact O-CG 3.26Å; P242-R365 WeakPolarHBondContact O-CG 3.49Å
243K95.5Very high94.6Very high48 Ų4837.2 Ų37.221%0.20921%0.214CC..SBendtrans-52.8133.2157.7-69173.7-176.2159.40108.1Q254 E258 L364K243-Q254 HydrophobicContact CB-CB 4.18Å; K243-Q254 WeakPolarHBondContact O-CA 3.45Å; K243-Q254 WeakPolarHBondContact O-CB 3.4Å; K243-Q254 PolarHBondContact O-N 3.23Å; K243-E258 IonicContact NZ-OE1 2.89Å; K243-E258 PolarHBondContact NZ-OE1 3.39Å; K243-E258 IonicContact NZ-OE2 3.99Å; K243-E258 PolarHBondContact NZ-OE2 2.78Å; K243-L364 WeakPolarHBondContact CE-O 3.37Å; K243-L364 WeakPolarHBondContact CG-O 3.32Å
244Q96.1Very high94.4Very high28 Ų2836.2 Ų36.213%0.13121%0.211CC..EExtended strand (participates in β ladder)trans-161.8158.7-170.663.6-170.4-80.300111.9C222 P242 L252C222-Q244 PolarHBondContact O-NE2 3.32Å; C222-Q244 PolarHBondContact SG-OE1 2.82Å; P242-Q244 WeakPolarHBondContact O-CG 3.39Å; P242-Q244 PolarHBondContact O-N 2.87Å; P242-Q244 PolarHBondContact O-NE2 2.88Å; Q244-L252 CarbonylContact C-O 3.54Å; Q244-L252 WeakPolarHBondContact CA-O 3.14Å; Q244-L252 VanDerWaalsContact CB-O 3.23Å; Q244-L252 WeakPolarHBondContact CB-O 3.07Å
245S93.7Very high93.9Very high55 Ų5540.6 Ų40.639%0.38523%0.232SC..EExtended strand (participates in β ladder)trans-116.3127.8168.352.60000109.6C251 L252S245-C251 WeakPolarHBondContact O-CA 3.49Å; S245-L252 PolarHBondContact N-O 3.03Å; S245-L252 PolarHBondContact O-N 3.47Å
246G92Very high93.2Very high28 Ų2841.2 Ų41.229%0.28923%0.233SC..EExtended strand (participates in β ladder)trans-112.2157.8178.200000112.9S250G246-S250 CarbonylContact C-O 3.55Å; G246-S250 WeakPolarHBondContact CA-O 3.27Å
247T92.9Very high92.5Very high69 Ų6946.5 Ų46.542%0.42326%0.258SS..  trans-131.5-173.8169.264.90000108.3I219 E220 D249 S250I219-T247 CarbonylContact C-O 3.6Å; I219-T247 WeakPolarHBondContact CA-O 2.96Å; E220-T247 PolarHBondContact N-O 2.86Å; T247-D249 PolarHBondContact O-N 3.33Å; T247-D249 PolarHBondContact OG1-N 3.36Å; T247-S250 PolarHBondContact N-O 3.46Å; T247-S250 PolarHBondContact OG1-N 3.09Å; T247-S250 VanDerWaalsContact OG1-N 3.08Å; T247-S250 PolarHBondContact OG1-O 3.28Å; T247-S250 VanDerWaalsContact OG1-O 3.09Å; T247-S250 PolarHBondContact OG1-OG 3Å
248A91.8Very high92.2Very high28 Ų2846.9 Ų46.923%0.23126%0.257CS..SBendtrans-65.4-25.6175.900000114.3N218N218-A248 WeakPolarHBondContact ND2-CB 3.41Å; N218-A248 WeakPolarHBondContact O-CA 3.4Å
249D88.7Confident91.9Very high88 Ų8846 Ų4647%0.47125%0.253SS..SBendtrans-132.911.4-167.9-45.1-52.7000113T247 H280T247-D249 PolarHBondContact O-N 3.33Å; T247-D249 PolarHBondContact OG1-N 3.36Å; D249-H280 IonicContact OD1-NE2 2.62Å
250S90.6Very high91.3Very high44 Ų4449.5 Ų49.531%0.30827%0.269SS..  trans-164.9155.9176.865.70000112.6E220 G246 T247E220-S250 WeakPolarHBondContact OE2-CA 3.35Å; E220-S250 PolarHBondContact OE2-N 2.86Å; G246-S250 CarbonylContact C-O 3.55Å; G246-S250 WeakPolarHBondContact CA-O 3.27Å; T247-S250 PolarHBondContact N-O 3.46Å; T247-S250 PolarHBondContact OG1-N 3.09Å; T247-S250 VanDerWaalsContact OG1-N 3.08Å; T247-S250 PolarHBondContact OG1-O 3.28Å; T247-S250 VanDerWaalsContact OG1-O 3.09Å; T247-S250 PolarHBondContact OG1-OG 3Å
251C91.6Very high91Very high27 Ų2753.9 Ų53.918%0.18230%0.295CS..EExtended strand (participates in β ladder)trans-136.6140.9168.8490000110.7E220 C222 S245E220-C251 HydrophobicContact CB-CB 4.2Å; C222-C251 HydrophobicContact CB-CB 4.39Å; C222-C251 WeakPolarHBondContact CB-SG 3.07Å; S245-C251 WeakPolarHBondContact O-CA 3.49Å
252L90.7Very high90.7Very high112 Ų11255.5 Ų55.559%0.58630%0.303SS*.EExtended strand (participates in β ladder)trans-123.6122.7-177179.966.2000110Q244 S245Q244-L252 CarbonylContact C-O 3.54Å; Q244-L252 WeakPolarHBondContact CA-O 3.14Å; Q244-L252 VanDerWaalsContact CB-O 3.23Å; Q244-L252 WeakPolarHBondContact CB-O 3.07Å; S245-L252 PolarHBondContact N-O 3.03Å; S245-L252 PolarHBondContact O-N 3.47Å
253T90.8Very high90.6Very high33 Ų3355.8 Ų55.820%0.20230%0.304CS..EExtended strand (participates in β ladder)trans-68.2147.3174.656.10000111.3P242 E256P242-T253 HydrophobicContact CG-CG2 3.69Å; T253-E256 PolarHBondContact OG1-OE1 2.86Å; T253-E256 VanDerWaalsContact OG1-OE1 3.1Å
254Q88.6Confident90.3Very high80 Ų8058 Ų5837%0.37432%0.319SS..  trans-130.7153.3176.3-59.5177.5-8.100108.4K243 E256K243-Q254 HydrophobicContact CB-CB 4.18Å; K243-Q254 WeakPolarHBondContact O-CA 3.45Å; K243-Q254 WeakPolarHBondContact O-CB 3.4Å; K243-Q254 PolarHBondContact O-N 3.23Å; Q254-E256 PolarHBondContact O-N 3.14Å
255H85.8Confident90.1Very high92 Ų9265.1 Ų65.143%0.42635%0.349SS..  trans52.151.2177.7-51.694.6000113E257 E258H255-E257 WeakPolarHBondContact CA-OE1 3.47Å; H255-E257 VanDerWaalsContact CA-OE2 3.22Å; H255-E257 WeakPolarHBondContact CA-OE2 3.33Å; H255-E257 WeakPolarHBondContact CB-OE1 3.36Å; H255-E257 IonicContact CD2-OE1 3.63Å; H255-E257 PolarHBondContact CD2-OE1 2.89Å; H255-E257 IonicContact CG-OE1 3.93Å; H255-E257 PolarHBondContact O-N 2.83Å; H255-E258 HydrophobicContact CB-CG 4.16Å; H255-E258 IonicContact CG-OE1 3.69Å; H255-E258 WeakPolarHBondContact O-CB 3.49Å; H255-E258 PolarHBondContact O-N 3.36Å
256E83.5Confident90.2Very high61 Ų6165.6 Ų65.629%0.28535%0.347SS..Hα-helixtrans-59.6-19.5-177.6-65.3-166.4133.700113.3R37 T253 Q254 E258 I259 F260R37-E256 IonicContact CZ-OE1 3.95Å; R37-E256 IonicContact NH1-OE1 3.25Å; R37-E256 PolarHBondContact NH1-OE1 2.74Å; T253-E256 PolarHBondContact OG1-OE1 2.86Å; T253-E256 VanDerWaalsContact OG1-OE1 3.1Å; Q254-E256 PolarHBondContact O-N 3.14Å; E256-E258 VanDerWaalsContact C-N 3.28Å; E256-E258 PolarHBondContact O-N 3.18Å; E256-I259 HydrophobicContact CB-CD1 4.35Å; E256-I259 HydrophobicContact CG-CD1 4.31Å; E256-I259 WeakPolarHBondContact O-CB 3.45Å; E256-I259 PolarHBondContact O-N 3.22Å; E256-F260 PolarHBondContact O-N 3.44Å; E256-F260 VanDerWaalsContact O-N 3.17Å
257E84Confident90.1Very high113 Ų11365.2 Ų65.253%0.52834%0.343SS..Hα-helixtrans-59.7-34.5171.966.6-78.6-17400113.2H255 I259 F260 V261H255-E257 WeakPolarHBondContact CA-OE1 3.47Å; H255-E257 VanDerWaalsContact CA-OE2 3.22Å; H255-E257 WeakPolarHBondContact CA-OE2 3.33Å; H255-E257 WeakPolarHBondContact CB-OE1 3.36Å; H255-E257 IonicContact CD2-OE1 3.63Å; H255-E257 PolarHBondContact CD2-OE1 2.89Å; H255-E257 IonicContact CG-OE1 3.93Å; H255-E257 PolarHBondContact O-N 2.83Å; E257-I259 VanDerWaalsContact C-N 3.32Å; E257-I259 PolarHBondContact O-N 2.81Å; E257-F260 PolarHBondContact O-N 3.48Å; E257-V261 VanDerWaalsContact O-CG2 3.32Å; E257-V261 WeakPolarHBondContact O-CG2 3.18Å; E257-V261 PolarHBondContact O-N 3.23Å
258E91Very high90.2Very high47 Ų4762.1 Ų62.122%0.2232%0.324CS..Hα-helixtrans-67-37.8177.5-64.1-179.6-153.700110.7K243 H255 E256 F260 V261 I262 L364K243-E258 IonicContact NZ-OE1 2.89Å; K243-E258 PolarHBondContact NZ-OE1 3.39Å; K243-E258 IonicContact NZ-OE2 3.99Å; K243-E258 PolarHBondContact NZ-OE2 2.78Å; H255-E258 HydrophobicContact CB-CG 4.16Å; H255-E258 IonicContact CG-OE1 3.69Å; H255-E258 WeakPolarHBondContact O-CB 3.49Å; H255-E258 PolarHBondContact O-N 3.36Å; E256-E258 VanDerWaalsContact C-N 3.28Å; E256-E258 PolarHBondContact O-N 3.18Å; E258-F260 VanDerWaalsContact C-N 3.33Å; E258-V261 PolarHBondContact O-N 2.8Å; E258-I262 WeakPolarHBondContact O-CG1 3.24Å; E258-I262 PolarHBondContact O-N 3.21Å; E258-L364 HydrophobicContact CB-CD1 4.17Å
259I91.4Very high90.2Very high10 Ų1060.9 Ų60.95%0.05131%0.314CS..Hα-helixtrans-60.6-47.9174.7-50.9172.4000109.2I224 I240 P242 E256 E257 V261 I262 Q263I224-I259 HydrophobicContact CB-CG2 4.49Å; I224-I259 HydrophobicContact CG1-CD1 4.06Å; I224-I259 HydrophobicContact CG1-CG2 4.3Å; I240-I259 HydrophobicContact CD1-CG2 4.25Å; I240-I259 HydrophobicContact CG2-CG2 4.4Å; P242-I259 HydrophobicContact CB-CD1 3.66Å; P242-I259 HydrophobicContact CB-CG1 3.97Å; P242-I259 HydrophobicContact CG-CD1 4.18Å; E256-I259 HydrophobicContact CB-CD1 4.35Å; E256-I259 HydrophobicContact CG-CD1 4.31Å; E256-I259 WeakPolarHBondContact O-CB 3.45Å; E256-I259 PolarHBondContact O-N 3.22Å; E257-I259 VanDerWaalsContact C-N 3.32Å; E257-I259 PolarHBondContact O-N 2.81Å; I259-V261 PolarHBondContact O-N 3.35Å; I259-I262 PolarHBondContact O-N 3.2Å; I259-Q263 HydrophobicContact CG2-CG 4.42Å; I259-Q263 WeakPolarHBondContact O-CB 3.45Å; I259-Q263 WeakPolarHBondContact O-CG 3.29Å; I259-Q263 PolarHBondContact O-N 3.35Å
260F87.4Confident90.5Very high76 Ų7657.3 Ų57.333%0.33330%0.295SS..Hα-helixtrans-61.5-44.9179.9-179.9-94.6000112A40 E256 E257 E258 I262 Q263 D264A40-F260 HydrophobicContact CB-CE2 4.35Å; E256-F260 PolarHBondContact O-N 3.44Å; E256-F260 VanDerWaalsContact O-N 3.17Å; E257-F260 PolarHBondContact O-N 3.48Å; E258-F260 VanDerWaalsContact C-N 3.33Å; F260-I262 VanDerWaalsContact C-N 3.3Å; F260-I262 PolarHBondContact O-N 2.81Å; F260-Q263 PolarHBondContact O-N 2.96Å; F260-D264 HydrophobicContact CE1-CB 4.38Å; F260-D264 WeakPolarHBondContact O-CB 3.32Å; F260-D264 PolarHBondContact O-N 3.17Å
261V90Very high90.7Very high92 Ų9255.3 Ų55.356%0.55828%0.281SS*.Hα-helixtrans-58.5-42.2179.1168.80000111.5E257 E258 I259 K265E257-V261 VanDerWaalsContact O-CG2 3.32Å; E257-V261 WeakPolarHBondContact O-CG2 3.18Å; E257-V261 PolarHBondContact O-N 3.23Å; E258-V261 PolarHBondContact O-N 2.8Å; I259-V261 PolarHBondContact O-N 3.35Å; V261-K265 VanDerWaalsContact O-CB 3.28Å; V261-K265 WeakPolarHBondContact O-CB 3.29Å; V261-K265 PolarHBondContact O-N 3.42Å
262I92.8Very high91Very high34 Ų3454 Ų5417%0.17427%0.272CS..Hα-helixtrans-71.1-43.1179.7-69.3173.5000111.3I240 E258 I259 F260 K265 L266 I362 L364I240-I262 HydrophobicContact CD1-CB 4.47Å; I240-I262 HydrophobicContact CD1-CG2 3.95Å; E258-I262 WeakPolarHBondContact O-CG1 3.24Å; E258-I262 PolarHBondContact O-N 3.21Å; I259-I262 PolarHBondContact O-N 3.2Å; F260-I262 VanDerWaalsContact C-N 3.3Å; F260-I262 PolarHBondContact O-N 2.81Å; I262-K265 PolarHBondContact O-N 2.88Å; I262-L266 HydrophobicContact CG2-CD1 3.84Å; I262-L266 WeakPolarHBondContact O-CB 3.43Å; I262-L266 WeakPolarHBondContact O-CG 3.33Å; I262-L266 PolarHBondContact O-N 3.38Å; I262-I362 HydrophobicContact CD1-CG2 4.32Å; I262-I362 HydrophobicContact CG2-CD1 3.86Å; I262-L364 HydrophobicContact CD1-CD1 3.81Å; I262-L364 HydrophobicContact CD1-CD2 3.25Å; I262-L364 HydrophobicContact CD1-CG 4.1Å
263Q93.6Very high91.4Very high6 Ų649.2 Ų49.23%0.02825%0.246CC..Hα-helixtrans-60.9-45.7176.5-74.2-177.3-36.800111.5S226 I240 I259 F260 L266 G267 L268 T270S226-Q263 PolarHBondContact OG-NE2 3.15Å; I240-Q263 HydrophobicContact CD1-CG 3.73Å; I259-Q263 HydrophobicContact CG2-CG 4.42Å; I259-Q263 WeakPolarHBondContact O-CB 3.45Å; I259-Q263 WeakPolarHBondContact O-CG 3.29Å; I259-Q263 PolarHBondContact O-N 3.35Å; F260-Q263 PolarHBondContact O-N 2.96Å; Q263-L266 PolarHBondContact O-N 3.22Å; Q263-G267 CarbonylContact O-C 3.59Å; Q263-G267 WeakPolarHBondContact O-CA 3.47Å; Q263-G267 PolarHBondContact O-N 3.25Å; Q263-L268 HydrophobicContact CB-CB 4.27Å; Q263-L268 HydrophobicContact CG-CB 4.23Å; Q263-L268 PolarHBondContact O-N 3.4Å; Q263-T270 PolarHBondContact NE2-OG1 3.15Å; Q263-T270 PolarHBondContact OE1-OG1 2.98Å
264D89.1Confident91.7Very high96 Ų9647.7 Ų47.751%0.51324%0.237SC..Hα-helixtrans-61.6-49.8178.3-173.759.8000111.2F260 L266 G267F260-D264 HydrophobicContact CE1-CB 4.38Å; F260-D264 WeakPolarHBondContact O-CB 3.32Å; F260-D264 PolarHBondContact O-N 3.17Å; D264-L266 VanDerWaalsContact C-N 3.26Å; D264-L266 PolarHBondContact O-N 3.02Å; D264-G267 PolarHBondContact O-N 2.8Å; D264-G267 VanDerWaalsContact O-N 3.14Å
265K92.9Very high92.2Very high176 Ų17643.9 Ų43.977%0.76522%0.219SC*.Hα-helixtrans-57.7-37178.4-176.8-179.2178.4-176.50113.1V261 I262V261-K265 VanDerWaalsContact O-CB 3.28Å; V261-K265 WeakPolarHBondContact O-CB 3.29Å; V261-K265 PolarHBondContact O-N 3.42Å; I262-K265 PolarHBondContact O-N 2.88Å
266L93.9Very high92.8Very high66 Ų6639.5 Ų39.535%0.34620%0.199SC..Hα-helixtrans-94.7-5.1-177.2-63.8179.3000113.5K228 I262 Q263 D264 L268 I362K228-L266 PolarHBondContact NZ-O 3.32Å; I262-L266 HydrophobicContact CG2-CD1 3.84Å; I262-L266 WeakPolarHBondContact O-CB 3.43Å; I262-L266 WeakPolarHBondContact O-CG 3.33Å; I262-L266 PolarHBondContact O-N 3.38Å; Q263-L266 PolarHBondContact O-N 3.22Å; D264-L266 VanDerWaalsContact C-N 3.26Å; D264-L266 PolarHBondContact O-N 3.02Å; L266-L268 HydrophobicContact CB-CD1 3.71Å; L266-L268 HydrophobicContact CB-CD2 4.45Å; L266-L268 HydrophobicContact CB-CG 3.67Å; L266-L268 HydrophobicContact CD1-CD1 3.85Å; L266-L268 HydrophobicContact CG-CD1 4.44Å; L266-I362 HydrophobicContact CD1-CD1 3.96Å
267G91Very high93.5Very high20 Ų2036.7 Ų36.721%0.20619%0.186CC..THydrogen-bonded Turntrans58.655.7-172.900000112.6Y44 K228 Q263 D264Y44-G267 WeakPolarHBondContact OH-CA 3.39Å; Y44-G267 PolarHBondContact OH-O 3.13Å; K228-G267 WeakPolarHBondContact CE-O 3.44Å; Q263-G267 CarbonylContact O-C 3.59Å; Q263-G267 WeakPolarHBondContact O-CA 3.47Å; Q263-G267 PolarHBondContact O-N 3.25Å; D264-G267 PolarHBondContact O-N 2.8Å; D264-G267 VanDerWaalsContact O-N 3.14Å
268L94.2Very high94Very high3 Ų331.6 Ų31.62%0.01616%0.162CC..  trans-111.9145.7-177.6-57.3173.7000111.5G227 K228 H238 Q263 L266G227-L268 WeakPolarHBondContact O-CA 3.18Å; K228-L268 HydrophobicContact CG-CD2 4.13Å; H238-L268 HydrophobicContact CB-CD1 4.06Å; Q263-L268 HydrophobicContact CB-CB 4.27Å; Q263-L268 HydrophobicContact CG-CB 4.23Å; Q263-L268 PolarHBondContact O-N 3.4Å; L266-L268 HydrophobicContact CB-CD1 3.71Å; L266-L268 HydrophobicContact CB-CD2 4.45Å; L266-L268 HydrophobicContact CB-CG 3.67Å; L266-L268 HydrophobicContact CD1-CD1 3.85Å; L266-L268 HydrophobicContact CG-CD1 4.44Å
269I92.3Very high94.1Very high3 Ų331.8 Ų31.82%0.01517%0.168CC..EExtended strand (participates in β ladder)trans-104.3143.3174.5-53.3158.5000108.6Y44 I45 V48 S226 G227 L271Y44-I269 HydrophobicContact CD1-CG1 3.62Å; Y44-I269 HydrophobicContact CE1-CD1 4.36Å; Y44-I269 HydrophobicContact CE1-CG1 3.51Å; I45-I269 HydrophobicContact CD1-CD1 4.36Å; I45-I269 HydrophobicContact CD1-CG2 4.2Å; I45-I269 HydrophobicContact CG1-CD1 3.97Å; V48-I269 HydrophobicContact CG1-CD1 4.48Å; V48-I269 HydrophobicContact CG2-CD1 4.28Å; S226-I269 CarbonylContact C-O 3.29Å; S226-I269 VanDerWaalsContact CA-O 3.26Å; S226-I269 WeakPolarHBondContact CA-O 3.45Å; G227-I269 PolarHBondContact N-O 3.22Å; G227-I269 PolarHBondContact O-N 3.37Å; I269-L271 HydrophobicContact CB-CD2 4.46Å; I269-L271 HydrophobicContact CG2-CD2 4.33Å; I269-L271 PolarHBondContact O-N 3.26Å
270T94.8Very high94.2Very high13 Ų1335.3 Ų35.38%0.0818%0.184CC..EExtended strand (participates in β ladder)trans-72.6117.9168.4-57.10000110.5Q41 I224 Q263 Y295Q41-T270 VanDerWaalsContact CD-OG1 3.24Å; Q41-T270 PolarHBondContact NE2-OG1 2.99Å; Q41-T270 PolarHBondContact OE1-OG1 2.85Å; I224-T270 HydrophobicContact CG2-CG2 3.75Å; Q263-T270 PolarHBondContact NE2-OG1 3.15Å; Q263-T270 PolarHBondContact OE1-OG1 2.98Å; T270-Y295 HydrophobicContact CG2-CD1 4.06Å; T270-Y295 HydrophobicContact CG2-CE1 3.76Å
271L96.3Very high94.7Very high1 Ų134 Ų341%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-105.4-0.7-178.8-61.2177.2000113L225 F234 V236 I269 F299 A302 V303L225-L271 HydrophobicContact CB-CB 4.49Å; L225-L271 PolarHBondContact O-N 3.15Å; F234-L271 HydrophobicContact CB-CD1 3.95Å; F234-L271 HydrophobicContact CB-CD2 3.88Å; F234-L271 HydrophobicContact CD1-CD2 3.52Å; F234-L271 HydrophobicContact CE1-CD2 4.16Å; F234-L271 HydrophobicContact CG-CD2 3.76Å; V236-L271 HydrophobicContact CG2-CB 4.33Å; V236-L271 HydrophobicContact CG2-CD1 3.78Å; I269-L271 HydrophobicContact CB-CD2 4.46Å; I269-L271 HydrophobicContact CG2-CD2 4.33Å; I269-L271 PolarHBondContact O-N 3.26Å; L271-F299 HydrophobicContact CD2-CE1 3.77Å; L271-F299 HydrophobicContact CD2-CZ 3.75Å; L271-A302 WeakPolarHBondContact O-CA 3.33Å; L271-V303 PolarHBondContact O-N 3.39Å
272G97.3Very high95Very high0 Ų030.4 Ų30.40%017%0.165CC..EExtended strand (participates in β ladder)trans142.7-154.2-175.200000111.7L225 V303L225-G272 PolarHBondContact N-O 3.16Å; G272-V303 CarbonylContact C-O 3.56Å; G272-V303 WeakPolarHBondContact CA-O 3.44Å
273W98.1Very high95.2Very high11 Ų1132.3 Ų32.34%0.04217%0.172CC..EExtended strand (participates in β ladder)trans-151.5159.4-175.563.5-61.5000110.5G223 I224 H275 D288 T291 H292 Y295 V303 A304 I305G223-W273 CarbonylContact O-C 3.57Å; G223-W273 WeakPolarHBondContact O-CA 3.47Å; I224-W273 HydrophobicContact CD1-CB 4.43Å; W273-H275 HydrophobicContact CE3-CB 4.23Å; W273-H275 AromaticContact CE3-ND1 3.96Å; W273-H275 AromaticContact CH2-CE1 3.64Å; W273-H275 AromaticContact CH2-ND1 3.55Å; W273-H275 HydrophobicContact CZ3-CB 3.89Å; W273-H275 AromaticContact CZ3-CE1 3.86Å; W273-H275 AromaticContact CZ3-CG 3.64Å; W273-H275 AromaticContact CZ3-ND1 3.32Å; W273-H275 VanDerWaalsContact CZ3-ND1 3.32Å; W273-H275 WeakPolarHBondContact CZ3-ND1 3.45Å; W273-D288 HydrophobicContact CH2-CB 3.81Å; W273-D288 HydrophobicContact CZ2-CB 3.99Å; W273-T291 HydrophobicContact CD2-CG2 4.3Å; W273-T291 HydrophobicContact CE3-CG2 4.49Å; W273-T291 HydrophobicContact CH2-CG2 4.1Å; W273-T291 HydrophobicContact CZ2-CG2 3.89Å; W273-T291 HydrophobicContact CZ3-CG2 4.39Å; W273-H292 AromaticContact CD1-ND1 3.78Å; W273-H292 HydrophobicContact CZ2-CB 4.25Å; W273-H292 AromaticContact NE1-CG 3.76Å; W273-H292 AromaticContact NE1-ND1 3.28Å; W273-H292 PolarHBondContact NE1-ND1 3.18Å; W273-Y295 HydrophobicContact CG-CE2 4.4Å; W273-V303 PolarHBondContact N-O 2.97Å; W273-A304 HydrophobicContact CZ2-CB 4.3Å; W273-I305 PolarHBondContact O-N 3.45Å
274I98.7Very high95.3Very high1 Ų132.2 Ų32.21%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-129.8137.5178.7-176167.4000108.8V204 F207 C222 G223 L225 V239 I305V204-I274 HydrophobicContact CG2-CD1 4.27Å; F207-I274 HydrophobicContact CB-CD1 4.18Å; F207-I274 HydrophobicContact CD1-CD1 3.62Å; F207-I274 HydrophobicContact CD1-CG1 3.66Å; F207-I274 HydrophobicContact CD1-CG2 4.24Å; F207-I274 HydrophobicContact CD2-CG2 3.99Å; F207-I274 HydrophobicContact CE1-CB 4.46Å; F207-I274 HydrophobicContact CE1-CD1 4.21Å; F207-I274 HydrophobicContact CE1-CG1 3.71Å; F207-I274 HydrophobicContact CE1-CG2 4.22Å; F207-I274 HydrophobicContact CE2-CG2 3.98Å; F207-I274 HydrophobicContact CG-CD1 3.97Å; F207-I274 HydrophobicContact CG-CG1 4.27Å; F207-I274 HydrophobicContact CG-CG2 4.11Å; F207-I274 HydrophobicContact CZ-CG1 4.36Å; F207-I274 HydrophobicContact CZ-CG2 4.08Å; C222-I274 CarbonylContact C-O 3.4Å; C222-I274 WeakPolarHBondContact CA-O 3.36Å; G223-I274 PolarHBondContact N-O 3.31Å; G223-I274 PolarHBondContact O-N 2.96Å; L225-I274 HydrophobicContact CD2-CB 3.97Å; L225-I274 HydrophobicContact CD2-CG2 3.88Å; V239-I274 HydrophobicContact CG1-CG2 3.89Å; V239-I274 HydrophobicContact CG2-CG2 4.45Å; I274-I305 CarbonylContact C-O 3.55Å; I274-I305 VanDerWaalsContact CA-O 3.22Å; I274-I305 WeakPolarHBondContact CA-O 3.43Å; I274-I305 HydrophobicContact CB-CB 3.94Å; I274-I305 HydrophobicContact CB-CG2 4.48Å; I274-I305 HydrophobicContact CD1-CB 4.14Å; I274-I305 HydrophobicContact CD1-CG2 3.76Å; I274-I305 HydrophobicContact CG1-CB 3.76Å; I274-I305 HydrophobicContact CG1-CG2 3.76Å
275H98.5Very high95.6Very high0 Ų028.2 Ų28.20%015%0.151CC..EExtended strand (participates in β ladder)trans-143.7165.9172.376.3-71.8000113.1E220 T221 C222 W273 H277 D288 I305 V306 C307E220-H275 IonicContact OE2-CD2 3.82Å; T221-H275 CarbonylContact O-C 3.56Å; T221-H275 WeakPolarHBondContact O-CA 3.4Å; T221-H275 WeakPolarHBondContact O-CB 3.42Å; C222-H275 HydrophobicContact CB-CB 4.1Å; W273-H275 HydrophobicContact CE3-CB 4.23Å; W273-H275 AromaticContact CE3-ND1 3.96Å; W273-H275 AromaticContact CH2-CE1 3.64Å; W273-H275 AromaticContact CH2-ND1 3.55Å; W273-H275 HydrophobicContact CZ3-CB 3.89Å; W273-H275 AromaticContact CZ3-CE1 3.86Å; W273-H275 AromaticContact CZ3-CG 3.64Å; W273-H275 AromaticContact CZ3-ND1 3.32Å; W273-H275 VanDerWaalsContact CZ3-ND1 3.32Å; W273-H275 WeakPolarHBondContact CZ3-ND1 3.45Å; H275-H277 AromaticContact CD2-CD2 3.68Å; H275-H277 AromaticContact CD2-NE2 3.87Å; H275-H277 AromaticContact CE1-NE2 3.97Å; H275-H277 AromaticContact NE2-CD2 3.32Å; H275-H277 PolarHBondContact NE2-CD2 3.28Å; H275-H277 VanDerWaalsContact NE2-CD2 3.32Å; H275-H277 AromaticContact NE2-NE2 3.04Å; H275-H277 PolarHBondContact NE2-NE2 2.83Å; H275-D288 VanDerWaalsContact CE1-CG 3.44Å; H275-D288 IonicContact CE1-OD1 2.77Å; H275-D288 IonicContact CE1-OD2 3.45Å; H275-D288 PolarHBondContact CE1-OD2 2.81Å; H275-D288 VanDerWaalsContact NE2-CG 3.35Å; H275-D288 IonicContact NE2-OD1 3.14Å; H275-D288 PolarHBondContact NE2-OD1 3.19Å; H275-D288 IonicContact NE2-OD2 2.84Å; H275-D288 PolarHBondContact NE2-OD2 3.03Å; H275-I305 PolarHBondContact N-O 3.17Å; H275-V306 VanDerWaalsContact CE1-CG2 3.43Å; H275-V306 WeakPolarHBondContact CE1-CG2 3.26Å; H275-C307 PolarHBondContact O-N 3.08Å
276T98.4Very high95.6Very high0 Ų020.2 Ų20.20%012%0.117CC..EExtended strand (participates in β ladder)trans-99.3139.6176.455.20000111.8F207 L208 S211 E220 T221 P278 C307F207-T276 HydrophobicContact CD1-CG2 4.44Å; F207-T276 HydrophobicContact CE1-CG2 3.74Å; F207-T276 HydrophobicContact CZ-CG2 4.47Å; L208-T276 HydrophobicContact CD2-CG2 4.4Å; S211-T276 WeakPolarHBondContact OG-CG2 3.39Å; E220-T276 VanDerWaalsContact CG-O 3.24Å; E220-T276 WeakPolarHBondContact CG-O 3.36Å; T221-T276 PolarHBondContact N-OG1 3.19Å; T221-T276 PolarHBondContact O-N 2.89Å; T276-P278 WeakPolarHBondContact O-CD 3.27Å; T276-C307 CarbonylContact C-O 3.59Å; T276-C307 VanDerWaalsContact CA-O 3.32Å; T276-C307 WeakPolarHBondContact CA-O 3.43Å; T276-C307 HydrophobicContact CG2-CB 4.42Å
277H97.6Very high95.6Very high3 Ų319.3 Ų19.31%0.01411%0.114CC..  trans-104.295.7157.5-77.8-174.4000108.1E220 H275 C279 H280 S281 F283 D288 V306 C307 P309E220-H277 IonicContact OE1-CD2 2.72Å; E220-H277 PolarHBondContact OE1-CD2 3.12Å; E220-H277 IonicContact OE1-NE2 2.86Å; H275-H277 AromaticContact CD2-CD2 3.68Å; H275-H277 AromaticContact CD2-NE2 3.87Å; H275-H277 AromaticContact CE1-NE2 3.97Å; H275-H277 AromaticContact NE2-CD2 3.32Å; H275-H277 PolarHBondContact NE2-CD2 3.28Å; H275-H277 VanDerWaalsContact NE2-CD2 3.32Å; H275-H277 AromaticContact NE2-NE2 3.04Å; H275-H277 PolarHBondContact NE2-NE2 2.83Å; H277-C279 VanDerWaalsContact C-N 3.3Å; H277-C279 PolarHBondContact O-N 3.32Å; H277-H280 HydrophobicContact CB-CB 4.19Å; H277-S281 PolarHBondContact ND1-O 3.45Å; H277-F283 PolarHBondContact CE1-O 2.96Å; H277-F283 AromaticContact ND1-CE1 3.93Å; H277-D288 IonicContact CE1-OD2 3.19Å; H277-D288 IonicContact NE2-OD2 2.73Å; H277-D288 PolarHBondContact NE2-OD2 3.17Å; H277-V306 HydrophobicContact CB-CG1 4.3Å; H277-C307 PolarHBondContact N-O 3.38Å; H277-P309 WeakPolarHBondContact O-CD 3.3Å
278P95.7Very high95.8Very high6 Ų618.5 Ų18.54%0.03911%0.105CC..SBendtrans-61.7-35.9-173.5-25.634.6000114T215 T276 K310T215-P278 HydrophobicContact CG2-CB 3.96Å; T276-P278 WeakPolarHBondContact O-CD 3.27Å; P278-K310 WeakPolarHBondContact O-CB 3.44Å
279C93.1Very high95.9Very high50 Ų5019 Ų1934%0.33811%0.107SC..SBendtrans-123.5-0.9-171.7-81.80000115.6N218 H277 K310N218-C279 WeakPolarHBondContact OD1-CB 3.26Å; N218-C279 PolarHBondContact OD1-SG 3.44Å; H277-C279 VanDerWaalsContact C-N 3.3Å; H277-C279 PolarHBondContact O-N 3.32Å; C279-K310 PolarHBondContact O-NZ 2.96Å
280H93.7Very high96Very high84 Ų8420.8 Ų20.839%0.38912%0.116SC..SBendtrans-118.8160.7-176.9-62.9-75.5000111.1D249 H277 F283 S308D249-H280 IonicContact OD1-NE2 2.62Å; H277-H280 HydrophobicContact CB-CB 4.19Å; H280-F283 HydrophobicContact CB-CE1 4.01Å; H280-S308 VanDerWaalsContact O-CB 3.3Å; H280-S308 WeakPolarHBondContact O-CB 3.23Å; H280-S308 PolarHBondContact O-OG 3.05Å
281S96.3Very high95.9Very high49 Ų4922 Ų2234%0.34312%0.123SC..  trans-66.4170.9173.356.40000112.1H277 F283 E313H277-S281 PolarHBondContact ND1-O 3.45Å; S281-F283 WeakPolarHBondContact O-CD1 3.29Å; S281-F283 PolarHBondContact O-N 3.22Å; S281-E313 WeakPolarHBondContact CB-OE2 3.45Å
282A97.5Very high95.9Very high17 Ų1721.9 Ų21.914%0.1412%0.123CC..SBendtrans-78.3111.5176.400000111.4V306 E313 F317A282-V306 HydrophobicContact CB-CB 4.37Å; A282-V306 HydrophobicContact CB-CG1 4.33Å; A282-E313 HydrophobicContact CB-CB 3.85Å; A282-E313 PolarHBondContact N-OE2 3.09Å; A282-F317 HydrophobicContact CB-CE2 4.33Å; A282-F317 HydrophobicContact CB-CZ 4.46Å; A282-F317 WeakPolarHBondContact O-CZ 3.37Å
283F96.8Very high95.8Very high73 Ų7322 Ų2232%0.3212%0.123SC..SBendtrans-157.8171.217365.8-83.8000109.3H277 H280 S281 F346H277-F283 PolarHBondContact CE1-O 2.96Å; H277-F283 AromaticContact ND1-CE1 3.93Å; H280-F283 HydrophobicContact CB-CE1 4.01Å; S281-F283 WeakPolarHBondContact O-CD1 3.29Å; S281-F283 PolarHBondContact O-N 3.22Å; F283-F346 HydrophobicContact CB-CE2 4.42Å; F283-F346 HydrophobicContact CB-CZ 4.02Å
284L96.4Very high95.6Very high4 Ų421.6 Ų21.62%0.02112%0.122CC..  trans-90.9114.3169.5-62.5-173000110.5D288 M289 A304 V306 F317 F346L284-D288 HydrophobicContact CB-CB 4.1Å; L284-D288 HydrophobicContact CD2-CB 3.94Å; L284-M289 HydrophobicContact CB-CG 3.84Å; L284-M289 HydrophobicContact CD1-CG 4.46Å; L284-A304 HydrophobicContact CD2-CB 3.79Å; L284-V306 HydrophobicContact CD2-CG2 3.78Å; L284-F317 HydrophobicContact CD1-CB 3.83Å; L284-F317 HydrophobicContact CD2-CB 4.01Å; L284-F317 HydrophobicContact CD2-CD2 4.03Å; L284-F317 HydrophobicContact CD2-CG 4.36Å; L284-F317 HydrophobicContact CG-CB 3.77Å; L284-F317 HydrophobicContact CG-CD2 4.17Å; L284-F317 HydrophobicContact CG-CG 4.12Å; L284-F346 HydrophobicContact CB-CD1 4.06Å; L284-F346 HydrophobicContact CB-CD2 4.24Å; L284-F346 HydrophobicContact CB-CE1 4.32Å; L284-F346 HydrophobicContact CB-CE2 4.49Å; L284-F346 HydrophobicContact CB-CG 4.04Å; L284-F346 HydrophobicContact CD1-CB 3.77Å; L284-F346 HydrophobicContact CD1-CD2 4.32Å; L284-F346 HydrophobicContact CD1-CG 4.05Å; L284-F346 HydrophobicContact CG-CB 4.41Å; L284-F346 HydrophobicContact CG-CD2 4.09Å; L284-F346 HydrophobicContact CG-CG 4.15Å
285S94.4Very high95.4Very high12 Ų1222.5 Ų22.58%0.08413%0.126CC..  trans-64.3168.9169.182.80000111.1V287 D288 M289S285-V287 PolarHBondContact O-N 2.81Å; S285-V287 PolarHBondContact OG-N 3.06Å; S285-D288 VanDerWaalsContact CB-OD2 3.3Å; S285-D288 WeakPolarHBondContact CB-OD2 3.35Å; S285-D288 PolarHBondContact N-OD2 3.23Å; S285-D288 PolarHBondContact O-N 3.44Å; S285-D288 VanDerWaalsContact O-N 3.13Å; S285-D288 PolarHBondContact OG-N 3.38Å; S285-D288 VanDerWaalsContact OG-N 3.15Å; S285-D288 PolarHBondContact OG-OD1 3Å; S285-D288 PolarHBondContact OG-OD2 3.18Å; S285-M289 WeakPolarHBondContact O-CG 3.44Å; S285-M289 PolarHBondContact O-N 3.5Å
286S93.4Very high95.3Very high9 Ų922.7 Ų22.76%0.06313%0.127CC..Hα-helixtrans-56.2-39.8172.9179.60000112.1D288 H290 H337S286-D288 VanDerWaalsContact C-N 3.33Å; S286-H290 PolarHBondContact O-CD2 3.2Å; S286-H290 VanDerWaalsContact O-CD2 3.25Å; S286-H290 PolarHBondContact O-N 3.04Å; S286-H337 WeakPolarHBondContact CB-O 3.44Å; S286-H337 PolarHBondContact OG-O 2.84Å
287V93Very high95Very high46 Ų4623.9 Ų23.928%0.27913%0.133SC..Hα-helixtrans-66.7-40.4179.3179.70000110S285 H290 T291 F336S285-V287 PolarHBondContact O-N 2.81Å; S285-V287 PolarHBondContact OG-N 3.06Å; V287-H290 PolarHBondContact O-N 2.97Å; V287-T291 PolarHBondContact O-N 3.04Å; V287-T291 PolarHBondContact O-OG1 2.89Å; V287-F336 HydrophobicContact CG2-CD2 4.38Å
288D95.5Very high94.4Very high3 Ų324.5 Ų24.52%0.01614%0.136CC..Hα-helixtrans-66.4-42.4-179.8-52.3-23.8000111.6W273 H275 H277 L284 S285 S286 H290 T291 H292W273-D288 HydrophobicContact CH2-CB 3.81Å; W273-D288 HydrophobicContact CZ2-CB 3.99Å; H275-D288 VanDerWaalsContact CE1-CG 3.44Å; H275-D288 IonicContact CE1-OD1 2.77Å; H275-D288 IonicContact CE1-OD2 3.45Å; H275-D288 PolarHBondContact CE1-OD2 2.81Å; H275-D288 VanDerWaalsContact NE2-CG 3.35Å; H275-D288 IonicContact NE2-OD1 3.14Å; H275-D288 PolarHBondContact NE2-OD1 3.19Å; H275-D288 IonicContact NE2-OD2 2.84Å; H275-D288 PolarHBondContact NE2-OD2 3.03Å; H277-D288 IonicContact CE1-OD2 3.19Å; H277-D288 IonicContact NE2-OD2 2.73Å; H277-D288 PolarHBondContact NE2-OD2 3.17Å; L284-D288 HydrophobicContact CB-CB 4.1Å; L284-D288 HydrophobicContact CD2-CB 3.94Å; S285-D288 VanDerWaalsContact CB-OD2 3.3Å; S285-D288 WeakPolarHBondContact CB-OD2 3.35Å; S285-D288 PolarHBondContact N-OD2 3.23Å; S285-D288 PolarHBondContact O-N 3.44Å; S285-D288 VanDerWaalsContact O-N 3.13Å; S285-D288 PolarHBondContact OG-N 3.38Å; S285-D288 VanDerWaalsContact OG-N 3.15Å; S285-D288 PolarHBondContact OG-OD1 3Å; S285-D288 PolarHBondContact OG-OD2 3.18Å; S286-D288 VanDerWaalsContact C-N 3.33Å; D288-H290 PolarHBondContact O-N 3.44Å; D288-T291 PolarHBondContact O-N 3.3Å; D288-H292 VanDerWaalsContact O-CB 3.25Å; D288-H292 WeakPolarHBondContact O-CB 3.48Å; D288-H292 PolarHBondContact O-N 3.31Å
289M95.9Very high94.2Very high13 Ų1325.5 Ų25.56%0.06414%0.14CC..Hα-helixtrans-58-48.1175.7-72.6-169.1-69.800111.1L284 S285 T291 H292 C293 L319 V328 L345 F346L284-M289 HydrophobicContact CB-CG 3.84Å; L284-M289 HydrophobicContact CD1-CG 4.46Å; S285-M289 WeakPolarHBondContact O-CG 3.44Å; S285-M289 PolarHBondContact O-N 3.5Å; M289-T291 VanDerWaalsContact C-N 3.32Å; M289-T291 PolarHBondContact O-N 3.35Å; M289-H292 PolarHBondContact O-N 3.49Å; M289-C293 VanDerWaalsContact O-CB 3.27Å; M289-C293 WeakPolarHBondContact O-CB 3.23Å; M289-C293 PolarHBondContact O-N 3.41Å; M289-L319 HydrophobicContact CB-CD2 4.01Å; M289-L319 HydrophobicContact CG-CD2 3.85Å; M289-L319 HydrophobicContact SD-CD2 4.22Å; M289-V328 HydrophobicContact CB-CG1 4.3Å; M289-V328 HydrophobicContact CB-CG2 4.06Å; M289-V328 HydrophobicContact SD-CG2 4.37Å; M289-L345 HydrophobicContact CE-CD1 4.24Å; M289-L345 HydrophobicContact SD-CB 3.79Å; M289-L345 HydrophobicContact SD-CD1 3.96Å; M289-F346 HydrophobicContact SD-CD1 4.06Å
290H94.3Very high94.2Very high41 Ų4125.3 Ų25.319%0.1914%0.138CC..Hα-helixtrans-65.2-33.2177.9-87.4-82.7000113.4K34 S286 V287 D288 V328 H337 H339K34-H290 PolarHBondContact NZ-O 3.3Å; S286-H290 PolarHBondContact O-CD2 3.2Å; S286-H290 VanDerWaalsContact O-CD2 3.25Å; S286-H290 PolarHBondContact O-N 3.04Å; V287-H290 PolarHBondContact O-N 2.97Å; D288-H290 PolarHBondContact O-N 3.44Å; H290-V328 HydrophobicContact CB-CG1 4.46Å; H290-H337 AromaticContact CD2-CE1 3.9Å; H290-H337 AromaticContact CD2-NE2 3.95Å; H290-H337 AromaticContact NE2-CE1 3.35Å; H290-H337 PolarHBondContact NE2-CE1 3.4Å; H290-H337 VanDerWaalsContact NE2-CE1 3.35Å; H290-H337 AromaticContact NE2-NE2 3.18Å; H290-H337 PolarHBondContact NE2-NE2 3.31Å; H290-H337 VanDerWaalsContact NE2-NE2 3.18Å; H290-H339 AromaticContact NE2-NE2 3.6Å
291T93.5Very high94.3Very high38 Ų3821.9 Ų21.923%0.23312%0.122CC..Hα-helixtrans-68.4-52.7172.6-66.80000110.4W273 V287 D288 M289 C293 S294 Y295W273-T291 HydrophobicContact CD2-CG2 4.3Å; W273-T291 HydrophobicContact CE3-CG2 4.49Å; W273-T291 HydrophobicContact CH2-CG2 4.1Å; W273-T291 HydrophobicContact CZ2-CG2 3.89Å; W273-T291 HydrophobicContact CZ3-CG2 4.39Å; V287-T291 PolarHBondContact O-N 3.04Å; V287-T291 PolarHBondContact O-OG1 2.89Å; D288-T291 PolarHBondContact O-N 3.3Å; M289-T291 VanDerWaalsContact C-N 3.32Å; M289-T291 PolarHBondContact O-N 3.35Å; T291-C293 PolarHBondContact O-N 2.83Å; T291-S294 PolarHBondContact O-N 2.67Å; T291-S294 PolarHBondContact O-OG 2.87Å; T291-Y295 HydrophobicContact CG2-CE2 3.99Å; T291-Y295 WeakPolarHBondContact O-CD2 3.38Å
292H96.3Very high94.3Very high0 Ų019.6 Ų19.60%011%0.106CC..Hα-helixtrans-66.7-34.3-175-16850.9000113.5W273 D288 M289 S294 Y295 Q296 A302 A304W273-H292 AromaticContact CD1-ND1 3.78Å; W273-H292 HydrophobicContact CZ2-CB 4.25Å; W273-H292 AromaticContact NE1-CG 3.76Å; W273-H292 AromaticContact NE1-ND1 3.28Å; W273-H292 PolarHBondContact NE1-ND1 3.18Å; D288-H292 VanDerWaalsContact O-CB 3.25Å; D288-H292 WeakPolarHBondContact O-CB 3.48Å; D288-H292 PolarHBondContact O-N 3.31Å; M289-H292 PolarHBondContact O-N 3.49Å; H292-S294 PolarHBondContact O-N 3.21Å; H292-S294 VanDerWaalsContact O-N 3.16Å; H292-Y295 WeakPolarHBondContact O-CB 3.48Å; H292-Y295 PolarHBondContact O-N 2.84Å; H292-Q296 PolarHBondContact CD2-OE1 2.85Å; H292-Q296 PolarHBondContact NE2-OE1 2.8Å; H292-Q296 PolarHBondContact O-N 3.35Å; H292-A302 PolarHBondContact CE1-O 3.27Å; H292-A302 VanDerWaalsContact CE1-O 3.28Å; H292-A302 PolarHBondContact NE2-O 2.98Å; H292-A304 HydrophobicContact CB-CB 4.36Å; H292-A304 PolarHBondContact CE1-N 3.2Å
293C95.6Very high94.4Very high1 Ų118.8 Ų18.81%0.00710%0.1CC..Hα-helixtrans-48-45.5173.6-177.40000111.6M289 T291 Y295 Q296 L297 L319 V328M289-C293 VanDerWaalsContact O-CB 3.27Å; M289-C293 WeakPolarHBondContact O-CB 3.23Å; M289-C293 PolarHBondContact O-N 3.41Å; T291-C293 PolarHBondContact O-N 2.83Å; C293-Y295 VanDerWaalsContact C-N 3.33Å; C293-Y295 PolarHBondContact O-N 3.28Å; C293-Q296 PolarHBondContact O-N 3.17Å; C293-L297 WeakPolarHBondContact O-CB 3.49Å; C293-L297 WeakPolarHBondContact O-CG 3.35Å; C293-L297 PolarHBondContact O-N 2.88Å; C293-L319 VanDerWaalsContact CA-CD1 3.49Å; C293-L319 HydrophobicContact CB-CD1 3.59Å; C293-V328 HydrophobicContact CB-CB 4.43Å; C293-V328 HydrophobicContact CB-CG1 3.75Å
294S93.2Very high94.4Very high4 Ų415.3 Ų15.33%0.0288%0.084CC..Hα-helixtrans-67.3-29.2-179.469.10000115.2R37 S38 T291 H292R37-S294 PolarHBondContact NH2-OG 2.9Å; S38-S294 PolarHBondContact OG-O 3.34Å; T291-S294 PolarHBondContact O-N 2.67Å; T291-S294 PolarHBondContact O-OG 2.87Å; H292-S294 PolarHBondContact O-N 3.21Å; H292-S294 VanDerWaalsContact O-N 3.16Å
295Y94.5Very high94.6Very high20 Ų2015.1 Ų15.18%0.0788%0.083CC..Hα-helixtrans-74.4-49.3173.5-70.7-87.3000110.1R37 T270 W273 T291 H292 C293 L297 M298 F299R37-Y295 PolarHBondContact NH1-OH 2.71Å; T270-Y295 HydrophobicContact CG2-CD1 4.06Å; T270-Y295 HydrophobicContact CG2-CE1 3.76Å; W273-Y295 HydrophobicContact CG-CE2 4.4Å; T291-Y295 HydrophobicContact CG2-CE2 3.99Å; T291-Y295 WeakPolarHBondContact O-CD2 3.38Å; H292-Y295 WeakPolarHBondContact O-CB 3.48Å; H292-Y295 PolarHBondContact O-N 2.84Å; C293-Y295 VanDerWaalsContact C-N 3.33Å; C293-Y295 PolarHBondContact O-N 3.28Å; Y295-L297 PolarHBondContact O-N 2.85Å; Y295-M298 PolarHBondContact O-N 3.28Å; Y295-F299 PolarHBondContact O-N 2.98Å
296Q95.5Very high94.8Very high4 Ų414.5 Ų14.52%0.0198%0.079CC..Hα-helixtrans-73.6-29.6-170.9-168.4-178.8-2300113.7H292 C293 M298 F299 A302 L319 L325H292-Q296 PolarHBondContact CD2-OE1 2.85Å; H292-Q296 PolarHBondContact NE2-OE1 2.8Å; H292-Q296 PolarHBondContact O-N 3.35Å; C293-Q296 PolarHBondContact O-N 3.17Å; Q296-M298 PolarHBondContact O-N 3.31Å; Q296-F299 WeakPolarHBondContact CA-O 3.28Å; Q296-F299 CarbonylContact O-C 3.23Å; Q296-A302 HydrophobicContact CB-CB 4.36Å; Q296-L319 PolarHBondContact NE2-O 3.29Å; Q296-L325 HydrophobicContact CB-CD2 3.98Å; Q296-L325 HydrophobicContact CG-CD1 4.42Å; Q296-L325 HydrophobicContact CG-CD2 4.06Å
297L92.4Very high95Very high25 Ų2514.1 Ų14.113%0.1318%0.077CC..THydrogen-bonded Turntrans-58.7-36176.3-76.9171.8000112.7E25 Y27 I30 C293 Y295 L325E25-L297 HydrophobicContact CB-CD2 3.84Å; E25-L297 WeakPolarHBondContact OE2-CD2 3.34Å; Y27-L297 HydrophobicContact CD2-CD1 3.81Å; Y27-L297 HydrophobicContact CE2-CD1 3.96Å; Y27-L297 HydrophobicContact CE2-CD2 3.86Å; I30-L297 HydrophobicContact CD1-CD1 3.64Å; C293-L297 WeakPolarHBondContact O-CB 3.49Å; C293-L297 WeakPolarHBondContact O-CG 3.35Å; C293-L297 PolarHBondContact O-N 2.88Å; Y295-L297 PolarHBondContact O-N 2.85Å; L297-L325 HydrophobicContact CD2-CB 4.42Å; L297-L325 HydrophobicContact CD2-CD2 4.18Å; L297-L325 HydrophobicContact CG-CD2 4.27Å
298M86.2Confident95.2Very high15 Ų1512 Ų127%0.0746%0.064CC..THydrogen-bonded Turntrans-101.5-26.2-178.1-62.6-62.3109.700112.8I24 L68 Y295 Q296I24-M298 HydrophobicContact CG2-CE 3.37Å; I24-M298 HydrophobicContact CG2-SD 4.03Å; L68-M298 HydrophobicContact CD2-SD 3.97Å; Y295-M298 PolarHBondContact O-N 3.28Å; Q296-M298 PolarHBondContact O-N 3.31Å
299F91.5Very high95.2Very high27 Ų2714.3 Ų14.312%0.1188%0.079CC..  trans-129.192.1177.7-172.6-114.9000109.7I45 F234 L271 Y295 Q296 E301 A302I45-F299 HydrophobicContact CD1-CD2 3.95Å; I45-F299 HydrophobicContact CD1-CE2 3.36Å; I45-F299 HydrophobicContact CD1-CZ 4.21Å; F234-F299 HydrophobicContact CD1-CZ 4.27Å; F234-F299 HydrophobicContact CD2-CZ 4Å; F234-F299 HydrophobicContact CE1-CE2 4.16Å; F234-F299 AromaticContact CE1-CZ 3.85Å; F234-F299 HydrophobicContact CE1-CZ 3.85Å; F234-F299 AromaticContact CE2-CE2 3.96Å; F234-F299 HydrophobicContact CE2-CE2 3.96Å; F234-F299 AromaticContact CE2-CZ 3.55Å; F234-F299 HydrophobicContact CE2-CZ 3.55Å; F234-F299 HydrophobicContact CG-CZ 4.32Å; F234-F299 AromaticContact CZ-CE2 3.57Å; F234-F299 HydrophobicContact CZ-CE2 3.57Å; F234-F299 AromaticContact CZ-CZ 3.45Å; F234-F299 HydrophobicContact CZ-CZ 3.45Å; F234-F299 VanDerWaalsContact CZ-CZ 3.45Å; L271-F299 HydrophobicContact CD2-CE1 3.77Å; L271-F299 HydrophobicContact CD2-CZ 3.75Å; Y295-F299 PolarHBondContact O-N 2.98Å; Q296-F299 WeakPolarHBondContact CA-O 3.28Å; Q296-F299 CarbonylContact O-C 3.23Å; F299-E301 HydrophobicContact CD1-CB 4.4Å; F299-E301 HydrophobicContact CE1-CB 3.77Å; F299-E301 HydrophobicContact CE2-CB 4.43Å; F299-E301 HydrophobicContact CZ-CB 3.8Å; F299-E301 PolarHBondContact O-N 3.48Å; F299-E301 VanDerWaalsContact O-N 3.09Å; F299-A302 HydrophobicContact CD1-CB 3.98Å; F299-A302 VanDerWaalsContact O-CB 3.22Å; F299-A302 WeakPolarHBondContact O-CB 3.47Å; F299-A302 PolarHBondContact O-N 3.5Å
300P93.2Very high95.2Very high47 Ų4720.3 Ų20.331%0.30511%0.105SC..THydrogen-bonded Turntrans-57.3-26.8-173.6-29.137.1000115L194 A302L194-P300 HydrophobicContact CD2-CB 3.68Å; P300-A302 VanDerWaalsContact C-N 3.28Å; P300-A302 PolarHBondContact O-N 3.05Å
301E95Very high95.3Very high11 Ų1122.6 Ų22.65%0.05112%0.115CC..THydrogen-bonded Turntrans-82.98.1175.2-6294.8155.700114.6L194 R195 V197 F234 F299 V303 H351L194-E301 HydrophobicContact CB-CG 4.03Å; L194-E301 HydrophobicContact CD2-CG 4.18Å; R195-E301 HydrophobicContact CB-CG 4.33Å; R195-E301 IonicContact CZ-OE1 3.94Å; R195-E301 PolarHBondContact N-OE1 3.29Å; R195-E301 IonicContact NE-OE1 3.7Å; R195-E301 PolarHBondContact NE-OE1 3.34Å; R195-E301 VanDerWaalsContact NH2-CD 3.29Å; R195-E301 IonicContact NH2-OE1 3.62Å; R195-E301 PolarHBondContact NH2-OE1 3.18Å; R195-E301 IonicContact NH2-OE2 3.31Å; R195-E301 PolarHBondContact NH2-OE2 3.03Å; V197-E301 HydrophobicContact CG2-CB 4.1Å; F234-E301 HydrophobicContact CD2-CB 4.22Å; F234-E301 HydrophobicContact CD2-CG 4.37Å; F234-E301 HydrophobicContact CE2-CB 4.09Å; F234-E301 HydrophobicContact CE2-CG 4.01Å; F299-E301 HydrophobicContact CD1-CB 4.4Å; F299-E301 HydrophobicContact CE1-CB 3.77Å; F299-E301 HydrophobicContact CE2-CB 4.43Å; F299-E301 HydrophobicContact CZ-CB 3.8Å; F299-E301 PolarHBondContact O-N 3.48Å; F299-E301 VanDerWaalsContact O-N 3.09Å; E301-V303 PolarHBondContact O-N 3.35Å; E301-H351 PolarHBondContact O-NE2 3.01Å
302A96.7Very high95.4Very high1 Ų128 Ų281%0.00814%0.143CC..  trans-61.2136177.200000111.2L271 H292 Q296 F299 P300L271-A302 WeakPolarHBondContact O-CA 3.33Å; H292-A302 PolarHBondContact CE1-O 3.27Å; H292-A302 VanDerWaalsContact CE1-O 3.28Å; H292-A302 PolarHBondContact NE2-O 2.98Å; Q296-A302 HydrophobicContact CB-CB 4.36Å; F299-A302 HydrophobicContact CD1-CB 3.98Å; F299-A302 VanDerWaalsContact O-CB 3.22Å; F299-A302 WeakPolarHBondContact O-CB 3.47Å; F299-A302 PolarHBondContact O-N 3.5Å; P300-A302 VanDerWaalsContact C-N 3.28Å; P300-A302 PolarHBondContact O-N 3.05Å
303V98.3Very high95.4Very high0 Ų032 Ų320%016%0.161CC..EExtended strand (participates in β ladder)trans-114.8135178.7-1750000111.1V197 L271 G272 W273 E301 I305 L316 A352V197-V303 HydrophobicContact CB-CG2 4.12Å; V197-V303 HydrophobicContact CG1-CG2 3.97Å; V197-V303 HydrophobicContact CG2-CG2 4.21Å; L271-V303 PolarHBondContact O-N 3.39Å; G272-V303 CarbonylContact C-O 3.56Å; G272-V303 WeakPolarHBondContact CA-O 3.44Å; W273-V303 PolarHBondContact N-O 2.97Å; E301-V303 PolarHBondContact O-N 3.35Å; V303-I305 HydrophobicContact CG1-CG1 3.92Å; V303-L316 HydrophobicContact CG1-CB 4.09Å; V303-L316 HydrophobicContact CG1-CD2 4.5Å; V303-L316 HydrophobicContact CG1-CG 4.34Å; V303-A352 HydrophobicContact CG1-CB 4.24Å; V303-A352 HydrophobicContact CG2-CB 3.69Å
304A98.6Very high95.6Very high0 Ų034.2 Ų34.20%018%0.175CC..EExtended strand (participates in β ladder)trans-102.1112.6166.900000109.7W273 L284 H292 F317W273-A304 HydrophobicContact CZ2-CB 4.3Å; L284-A304 HydrophobicContact CD2-CB 3.79Å; H292-A304 HydrophobicContact CB-CB 4.36Å; H292-A304 PolarHBondContact CE1-N 3.2Å; A304-F317 PolarHBondContact N-O 2.82Å; A304-F317 PolarHBondContact O-N 3.37Å
305I98.7Very high95.8Very high0 Ų034.2 Ų34.20%018%0.175CC..EExtended strand (participates in β ladder)trans-97122.1177.9-55.7-177.7000109.5V199 L225 W273 I274 H275 V303 V314 G315 L316V199-I305 HydrophobicContact CB-CD1 4.47Å; V199-I305 HydrophobicContact CG1-CD1 3.75Å; V199-I305 HydrophobicContact CG2-CD1 4.13Å; L225-I305 HydrophobicContact CD1-CD1 3.56Å; L225-I305 HydrophobicContact CD1-CG1 3.84Å; L225-I305 HydrophobicContact CD2-CD1 4.16Å; L225-I305 HydrophobicContact CG-CD1 4.49Å; W273-I305 PolarHBondContact O-N 3.45Å; I274-I305 CarbonylContact C-O 3.55Å; I274-I305 VanDerWaalsContact CA-O 3.22Å; I274-I305 WeakPolarHBondContact CA-O 3.43Å; I274-I305 HydrophobicContact CB-CB 3.94Å; I274-I305 HydrophobicContact CB-CG2 4.48Å; I274-I305 HydrophobicContact CD1-CB 4.14Å; I274-I305 HydrophobicContact CD1-CG2 3.76Å; I274-I305 HydrophobicContact CG1-CB 3.76Å; I274-I305 HydrophobicContact CG1-CG2 3.76Å; H275-I305 PolarHBondContact N-O 3.17Å; V303-I305 HydrophobicContact CG1-CG1 3.92Å; I305-V314 HydrophobicContact CG2-CG1 3.82Å; I305-G315 CarbonylContact C-O 3.06Å; I305-G315 VanDerWaalsContact CA-O 3.3Å; I305-G315 WeakPolarHBondContact CA-O 3.42Å; I305-L316 HydrophobicContact CG1-CG 4.22Å
306V98.6Very high96Very high0 Ų034.2 Ų34.20%018%0.177CC..EExtended strand (participates in β ladder)trans-112.3117.1177.4-172.60000109H275 H277 A282 L284 V314 G315 F317H275-V306 VanDerWaalsContact CE1-CG2 3.43Å; H275-V306 WeakPolarHBondContact CE1-CG2 3.26Å; H277-V306 HydrophobicContact CB-CG1 4.3Å; A282-V306 HydrophobicContact CB-CB 4.37Å; A282-V306 HydrophobicContact CB-CG1 4.33Å; L284-V306 HydrophobicContact CD2-CG2 3.78Å; V306-V314 WeakPolarHBondContact O-CA 3.43Å; V306-G315 PolarHBondContact N-O 3.08Å; V306-G315 PolarHBondContact O-N 2.75Å; V306-F317 HydrophobicContact CB-CD2 4.29Å; V306-F317 HydrophobicContact CB-CE2 4.02Å; V306-F317 HydrophobicContact CG2-CD2 3.78Å; V306-F317 HydrophobicContact CG2-CE2 3.96Å
307C98.5Very high96.1Very high1 Ų134.7 Ų34.71%0.00718%0.178CC..EExtended strand (participates in β ladder)trans-98122.9175.9-57.90000109L208 H275 T276 H277 P309L208-C307 HydrophobicContact CD2-CB 3.73Å; L208-C307 HydrophobicContact CG-CB 4.44Å; H275-C307 PolarHBondContact O-N 3.08Å; T276-C307 CarbonylContact C-O 3.59Å; T276-C307 VanDerWaalsContact CA-O 3.32Å; T276-C307 WeakPolarHBondContact CA-O 3.43Å; T276-C307 HydrophobicContact CG2-CB 4.42Å; H277-C307 PolarHBondContact N-O 3.38Å; C307-P309 WeakPolarHBondContact O-CD 3.4Å
308S97.7Very high96.4Very high1 Ų133.5 Ų33.51%0.00717%0.172CC..EExtended strand (participates in β ladder)trans-110.594.21721780000109.8H280 K310 H311 N312 E313H280-S308 VanDerWaalsContact O-CB 3.3Å; H280-S308 WeakPolarHBondContact O-CB 3.23Å; H280-S308 PolarHBondContact O-OG 3.05Å; S308-K310 VanDerWaalsContact C-N 3.29Å; S308-K310 PolarHBondContact O-N 3.18Å; S308-H311 PolarHBondContact O-N 3.46Å; S308-H311 WeakPolarHBondContact OG-CB 3.36Å; S308-H311 PolarHBondContact OG-CD2 2.86Å; S308-H311 VanDerWaalsContact OG-CD2 3.27Å; S308-H311 PolarHBondContact OG-N 3.15Å; S308-N312 WeakPolarHBondContact O-CA 3.22Å; S308-N312 PolarHBondContact O-N 3.07Å; S308-E313 PolarHBondContact N-O 2.78Å; S308-E313 PolarHBondContact O-N 3.42Å; S308-E313 VanDerWaalsContact O-N 3.11Å
309P96Very high97Very high52 Ų5232.8 Ų32.834%0.33817%0.169SC..THydrogen-bonded Turntrans-63.7-35.9-177-22.735.5000112.2L208 T215 H277 C307 H311 N312L208-P309 HydrophobicContact CD2-CB 4.5Å; L208-P309 HydrophobicContact CD2-CG 3.72Å; T215-P309 HydrophobicContact CG2-CB 4.15Å; T215-P309 HydrophobicContact CG2-CG 3.81Å; H277-P309 WeakPolarHBondContact O-CD 3.3Å; C307-P309 WeakPolarHBondContact O-CD 3.4Å; P309-H311 VanDerWaalsContact C-N 3.34Å; P309-H311 PolarHBondContact O-N 3.36Å; P309-N312 PolarHBondContact O-N 2.99Å
310K94.8Very high97.2Very high139 Ų13932 Ų3260%0.60417%0.167SC*.THydrogen-bonded Turntrans-66.5-33.6179.8-178.3179176.9-174.30113P278 C279 S308P278-K310 WeakPolarHBondContact O-CB 3.44Å; C279-K310 PolarHBondContact O-NZ 2.96Å; S308-K310 VanDerWaalsContact C-N 3.29Å; S308-K310 PolarHBondContact O-N 3.18Å
311H96Very high97.2Very high88 Ų8832.1 Ų32.141%0.40717%0.167SC..THydrogen-bonded Turntrans-99.2-4.2179.9-63.9-94.1000112.9S308 P309 E313S308-H311 PolarHBondContact O-N 3.46Å; S308-H311 WeakPolarHBondContact OG-CB 3.36Å; S308-H311 PolarHBondContact OG-CD2 2.86Å; S308-H311 VanDerWaalsContact OG-CD2 3.27Å; S308-H311 PolarHBondContact OG-N 3.15Å; P309-H311 VanDerWaalsContact C-N 3.34Å; P309-H311 PolarHBondContact O-N 3.36Å; H311-E313 VanDerWaalsContact C-N 3.28Å; H311-E313 HydrophobicContact CB-CG 3.92Å; H311-E313 PolarHBondContact O-N 2.88Å
312N95.8Very high97Very high152 Ų15237 Ų3781%0.81320%0.202SC*.THydrogen-bonded Turntrans54.443.9-173.1-167.547.2000112.4S308 P309S308-N312 WeakPolarHBondContact O-CA 3.22Å; S308-N312 PolarHBondContact O-N 3.07Å; P309-N312 PolarHBondContact O-N 2.99Å
313E97.4Very high96.8Very high83 Ų8339.2 Ų39.239%0.38821%0.213SC..EExtended strand (participates in β ladder)trans-116.1142.6-178.6-63.6172.2169.800110.9S281 A282 S308 H311S281-E313 WeakPolarHBondContact CB-OE2 3.45Å; A282-E313 HydrophobicContact CB-CB 3.85Å; A282-E313 PolarHBondContact N-OE2 3.09Å; S308-E313 PolarHBondContact N-O 2.78Å; S308-E313 PolarHBondContact O-N 3.42Å; S308-E313 VanDerWaalsContact O-N 3.11Å; H311-E313 VanDerWaalsContact C-N 3.28Å; H311-E313 HydrophobicContact CB-CG 3.92Å; H311-E313 PolarHBondContact O-N 2.88Å
314V98.2Very high96.7Very high49 Ų4939.2 Ų39.230%0.29721%0.213SC..EExtended strand (participates in β ladder)trans-128.6109.4168.9-179.90000107.1V204 I305 V306 L316 L354V204-V314 HydrophobicContact CG1-CG1 4.06Å; V204-V314 HydrophobicContact CG1-CG2 3.84Å; I305-V314 HydrophobicContact CG2-CG1 3.82Å; V306-V314 WeakPolarHBondContact O-CA 3.43Å; V314-L316 HydrophobicContact CG1-CD1 4.17Å; V314-L354 HydrophobicContact CG1-CD1 4.48Å
315G98.3Very high96.6Very high3 Ų340 Ų403%0.03122%0.217CC..EExtended strand (participates in β ladder)trans-99132.8177.600000111.3I305 V306I305-G315 CarbonylContact C-O 3.06Å; I305-G315 VanDerWaalsContact CA-O 3.3Å; I305-G315 WeakPolarHBondContact CA-O 3.42Å; V306-G315 PolarHBondContact N-O 3.08Å; V306-G315 PolarHBondContact O-N 2.75Å
316L98.7Very high96.3Very high21 Ų2145.2 Ų45.211%0.1124%0.239CC..EExtended strand (participates in β ladder)trans-106.8109.9170.6-72.473.2000107.2V199 V303 I305 V314 Q348 C349 A352 L354V199-L316 HydrophobicContact CG2-CD2 4.45Å; V303-L316 HydrophobicContact CG1-CB 4.09Å; V303-L316 HydrophobicContact CG1-CD2 4.5Å; V303-L316 HydrophobicContact CG1-CG 4.34Å; I305-L316 HydrophobicContact CG1-CG 4.22Å; V314-L316 HydrophobicContact CG1-CD1 4.17Å; L316-Q348 CarbonylContact O-C 3.58Å; L316-Q348 VanDerWaalsContact O-CA 3.28Å; L316-Q348 WeakPolarHBondContact O-CA 3.25Å; L316-C349 HydrophobicContact CB-CB 4.48Å; L316-C349 PolarHBondContact O-N 3.44Å; L316-A352 HydrophobicContact CD2-CB 3.79Å; L316-L354 HydrophobicContact CD1-CD1 4.45Å; L316-L354 HydrophobicContact CD1-CD2 4.28Å; L316-L354 HydrophobicContact CD1-CG 4.17Å
317F98.6Very high96.2Very high13 Ų1347.9 Ų47.96%0.05725%0.253CS..EExtended strand (participates in β ladder)trans-120.9155.9-171.6-57.5-70.1000113A282 L284 A304 V306 F346 Q347 Q348 C349A282-F317 HydrophobicContact CB-CE2 4.33Å; A282-F317 HydrophobicContact CB-CZ 4.46Å; A282-F317 WeakPolarHBondContact O-CZ 3.37Å; L284-F317 HydrophobicContact CD1-CB 3.83Å; L284-F317 HydrophobicContact CD2-CB 4.01Å; L284-F317 HydrophobicContact CD2-CD2 4.03Å; L284-F317 HydrophobicContact CD2-CG 4.36Å; L284-F317 HydrophobicContact CG-CB 3.77Å; L284-F317 HydrophobicContact CG-CD2 4.17Å; L284-F317 HydrophobicContact CG-CG 4.12Å; A304-F317 PolarHBondContact N-O 2.82Å; A304-F317 PolarHBondContact O-N 3.37Å; V306-F317 HydrophobicContact CB-CD2 4.29Å; V306-F317 HydrophobicContact CB-CE2 4.02Å; V306-F317 HydrophobicContact CG2-CD2 3.78Å; V306-F317 HydrophobicContact CG2-CE2 3.96Å; F317-F346 HydrophobicContact CB-CD2 4.44Å; F317-F346 AromaticContact CD1-CD2 3.84Å; F317-F346 HydrophobicContact CD1-CD2 3.84Å; F317-F346 AromaticContact CD1-CE2 4Å; F317-F346 HydrophobicContact CD1-CE2 4Å; F317-F346 HydrophobicContact CE1-CD2 4.37Å; F317-F346 HydrophobicContact CE1-CE2 4.07Å; F317-F346 HydrophobicContact CG-CD2 4.25Å; F317-Q347 WeakPolarHBondContact CA-O 3.43Å; F317-Q348 HydrophobicContact CD1-CG 4.09Å; F317-Q348 HydrophobicContact CE1-CG 3.87Å; F317-C349 PolarHBondContact O-SG 3.42Å; F317-C349 VanDerWaalsContact O-SG 3.34Å
318M98.1Very high96Very high0 Ų047.8 Ų47.80%025%0.252CS..EExtended strand (participates in β ladder)trans-138.8155.6167.663.5-177.8-55.700109.7L194 P321 F346 Q347 H351L194-M318 HydrophobicContact CD1-CE 3.74Å; L194-M318 HydrophobicContact CD1-SD 4.49Å; M318-P321 HydrophobicContact CE-CG 3.79Å; M318-F346 CarbonylContact O-C 3.59Å; M318-F346 VanDerWaalsContact O-CA 3.23Å; M318-F346 WeakPolarHBondContact O-CA 3.46Å; M318-F346 WeakPolarHBondContact O-CB 3.48Å; M318-Q347 HydrophobicContact CG-CG 3.82Å; M318-Q347 PolarHBondContact N-O 3.46Å; M318-Q347 PolarHBondContact O-N 2.98Å; M318-Q347 HydrophobicContact SD-CG 4.43Å; M318-H351 VanDerWaalsContact SD-CE1 3.56Å
319L97.7Very high95.9Very high0 Ų047.8 Ų47.80%025%0.252CS..EExtended strand (participates in β ladder)trans-67.5146.8165.6-69.4171.2000109.9M289 C293 Q296 P321 L325 V328 L345 F346M289-L319 HydrophobicContact CB-CD2 4.01Å; M289-L319 HydrophobicContact CG-CD2 3.85Å; M289-L319 HydrophobicContact SD-CD2 4.22Å; C293-L319 VanDerWaalsContact CA-CD1 3.49Å; C293-L319 HydrophobicContact CB-CD1 3.59Å; Q296-L319 PolarHBondContact NE2-O 3.29Å; L319-P321 VanDerWaalsContact O-CD 3.27Å; L319-P321 WeakPolarHBondContact O-CD 3.23Å; L319-L325 HydrophobicContact CB-CD2 4.01Å; L319-L325 HydrophobicContact CB-CG 4.17Å; L319-L325 HydrophobicContact CD1-CD2 3.86Å; L319-V328 HydrophobicContact CD1-CB 4.4Å; L319-V328 HydrophobicContact CD1-CG2 4.46Å; L319-V328 HydrophobicContact CD2-CG2 4.08Å; L319-L345 CarbonylContact C-O 3.54Å; L319-L345 WeakPolarHBondContact CA-O 3.41Å; L319-L345 VanDerWaalsContact CD2-O 3.29Å; L319-L345 WeakPolarHBondContact CD2-O 3.47Å; L319-F346 HydrophobicContact CD2-CB 4.26Å
320T96.3Very high95.8Very high12 Ų1249.9 Ų49.97%0.07426%0.258CS..  trans-67.3121.2177.253.80000109.4S322 H323 G324 L325 P344 L345 Q347T320-S322 PolarHBondContact O-N 3.24Å; T320-H323 PolarHBondContact O-N 2.9Å; T320-G324 PolarHBondContact O-N 2.89Å; T320-G324 WeakPolarHBondContact OG1-CA 3.45Å; T320-G324 PolarHBondContact OG1-N 3.48Å; T320-L325 PolarHBondContact O-N 3.23Å; T320-P344 VanDerWaalsContact CG2-O 3.23Å; T320-P344 WeakPolarHBondContact CG2-O 3.3Å; T320-P344 PolarHBondContact OG1-O 3.41Å; T320-L345 PolarHBondContact N-O 3.43Å; T320-L345 PolarHBondContact OG1-O 3.39Å; T320-Q347 HydrophobicContact CG2-CB 4.08Å; T320-Q347 HydrophobicContact CG2-CG 3.99Å
321P92.9Very high95.8Very high48 Ų4844.1 Ų44.131%0.31224%0.235SC..THydrogen-bonded Turntrans-61.6-31.3-174.3-27.436.3000114M318 L319M318-P321 HydrophobicContact CE-CG 3.79Å; L319-P321 VanDerWaalsContact O-CD 3.27Å; L319-P321 WeakPolarHBondContact O-CD 3.23Å
322S90.7Very high95.6Very high114 Ų11448.2 Ų48.280%0.79725%0.251SS*.THydrogen-bonded Turntrans-84.3-12.3-176.657.40000114.7T320T320-S322 PolarHBondContact O-N 3.24Å
323H93.9Very high95.4Very high48 Ų4846.6 Ų46.622%0.22224%0.239CC..THydrogen-bonded Turntrans-146.1-57.9-171.4-177.460000113T320 L325 K326 I327 P343 L345T320-H323 PolarHBondContact O-N 2.9Å; H323-L325 PolarHBondContact O-N 2.84Å; H323-K326 PolarHBondContact O-N 2.77Å; H323-I327 WeakPolarHBondContact CE1-CG1 3.26Å; H323-I327 WeakPolarHBondContact O-CG1 3.46Å; H323-I327 PolarHBondContact O-N 3.01Å; H323-P343 PolarHBondContact CD2-O 2.94Å; H323-L345 VanDerWaalsContact CD2-CD2 3.49Å; H323-L345 WeakPolarHBondContact CD2-CD2 3.13Å
324G95.9Very high94.6Very high0 Ų050.6 Ų50.60%026%0.261CS..Hα-helixtrans-59-44.4-173.600000114.3T320 K326 I327 V328 L345T320-G324 PolarHBondContact O-N 2.89Å; T320-G324 WeakPolarHBondContact OG1-CA 3.45Å; T320-G324 PolarHBondContact OG1-N 3.48Å; G324-K326 VanDerWaalsContact C-N 3.3Å; G324-K326 PolarHBondContact O-N 3.1Å; G324-I327 PolarHBondContact O-N 3.18Å; G324-V328 WeakPolarHBondContact O-CB 3.41Å; G324-V328 VanDerWaalsContact O-CG2 3.28Å; G324-V328 WeakPolarHBondContact O-CG2 3.5Å; G324-V328 PolarHBondContact O-N 3.1Å; G324-L345 WeakPolarHBondContact CA-O 2.82Å
325L95Very high93.7Very high17 Ų1750.8 Ų50.89%0.08927%0.273CS..Hα-helixtrans-56.5-45.4177.2-75.6176.3000112.1Q296 L297 L319 T320 H323 G329Q296-L325 HydrophobicContact CB-CD2 3.98Å; Q296-L325 HydrophobicContact CG-CD1 4.42Å; Q296-L325 HydrophobicContact CG-CD2 4.06Å; L297-L325 HydrophobicContact CD2-CB 4.42Å; L297-L325 HydrophobicContact CD2-CD2 4.18Å; L297-L325 HydrophobicContact CG-CD2 4.27Å; L319-L325 HydrophobicContact CB-CD2 4.01Å; L319-L325 HydrophobicContact CB-CG 4.17Å; L319-L325 HydrophobicContact CD1-CD2 3.86Å; T320-L325 PolarHBondContact O-N 3.23Å; H323-L325 PolarHBondContact O-N 2.84Å; L325-G329 WeakPolarHBondContact O-CA 3.49Å; L325-G329 PolarHBondContact O-N 2.93Å
326K94.3Very high93.1Very high109 Ų10958 Ų5847%0.47430%0.303SS..Hα-helixtrans-66.1-51.2179.3-176.7179.9177.9-178.90111.9H323 G324 V328 G329 E330H323-K326 PolarHBondContact O-N 2.77Å; G324-K326 VanDerWaalsContact C-N 3.3Å; G324-K326 PolarHBondContact O-N 3.1Å; K326-V328 PolarHBondContact O-N 2.96Å; K326-G329 PolarHBondContact O-N 2.97Å; K326-E330 WeakPolarHBondContact CE-OE1 3.49Å; K326-E330 HydrophobicContact CG-CG 4.35Å; K326-E330 WeakPolarHBondContact O-CB 3.3Å; K326-E330 VanDerWaalsContact O-CG 3.3Å; K326-E330 WeakPolarHBondContact O-CG 3.29Å; K326-E330 PolarHBondContact O-N 2.95Å
327I95.3Very high92.8Very high55 Ų5557.5 Ų57.528%0.28230%0.301SS..Hα-helixtrans-62.1-45.9-177-64.1-57.8000111.5H323 G324 C331 L345H323-I327 WeakPolarHBondContact CE1-CG1 3.26Å; H323-I327 WeakPolarHBondContact O-CG1 3.46Å; H323-I327 PolarHBondContact O-N 3.01Å; G324-I327 PolarHBondContact O-N 3.18Å; I327-C331 WeakPolarHBondContact O-CB 3.41Å; I327-C331 PolarHBondContact O-N 3.26Å; I327-L345 HydrophobicContact CB-CD2 3.98Å; I327-L345 HydrophobicContact CG1-CD2 4.15Å; I327-L345 HydrophobicContact CG2-CD1 4.29Å; I327-L345 HydrophobicContact CG2-CD2 3.99Å
328V95.2Very high92.4Very high0 Ų062.2 Ų62.20%033%0.332CS..Hα-helixtrans-70.1-41.6179.5178.40000110.4M289 H290 C293 L319 G324 K326 E330 C331 L345M289-V328 HydrophobicContact CB-CG1 4.3Å; M289-V328 HydrophobicContact CB-CG2 4.06Å; M289-V328 HydrophobicContact SD-CG2 4.37Å; H290-V328 HydrophobicContact CB-CG1 4.46Å; C293-V328 HydrophobicContact CB-CB 4.43Å; C293-V328 HydrophobicContact CB-CG1 3.75Å; L319-V328 HydrophobicContact CD1-CB 4.4Å; L319-V328 HydrophobicContact CD1-CG2 4.46Å; L319-V328 HydrophobicContact CD2-CG2 4.08Å; G324-V328 WeakPolarHBondContact O-CB 3.41Å; G324-V328 VanDerWaalsContact O-CG2 3.28Å; G324-V328 WeakPolarHBondContact O-CG2 3.5Å; G324-V328 PolarHBondContact O-N 3.1Å; K326-V328 PolarHBondContact O-N 2.96Å; V328-E330 PolarHBondContact O-N 3.38Å; V328-C331 WeakPolarHBondContact O-CB 3.36Å; V328-C331 PolarHBondContact O-N 3.5Å; V328-L345 HydrophobicContact CG2-CD1 4.41Å
329G94.2Very high92Very high0 Ų064 Ų640%034%0.341CS..Hα-helixtrans-60.7-41.9177.100000113.3Y27 N29 L325 K326 C331Y27-G329 VanDerWaalsContact CB-O 3.27Å; Y27-G329 WeakPolarHBondContact CB-O 3.32Å; Y27-G329 VanDerWaalsContact CD1-C 3.41Å; Y27-G329 WeakPolarHBondContact CD1-O 2.95Å; Y27-G329 VanDerWaalsContact CG-O 3.29Å; N29-G329 PolarHBondContact ND2-O 3.49Å; N29-G329 PolarHBondContact OD1-O 2.72Å; L325-G329 WeakPolarHBondContact O-CA 3.49Å; L325-G329 PolarHBondContact O-N 2.93Å; K326-G329 PolarHBondContact O-N 2.97Å; G329-C331 VanDerWaalsContact C-N 3.28Å; G329-C331 PolarHBondContact O-N 3.23Å
330E94.6Very high91.5Very high97 Ų9771.6 Ų71.645%0.45337%0.374SS..Hα-helixtrans-76-13.2178.4-69.5176.4169.200113.6Y27 K326 V328 K332Y27-E330 HydrophobicContact CD1-CG 4.1Å; Y27-E330 HydrophobicContact CE1-CG 3.66Å; K326-E330 WeakPolarHBondContact CE-OE1 3.49Å; K326-E330 HydrophobicContact CG-CG 4.35Å; K326-E330 WeakPolarHBondContact O-CB 3.3Å; K326-E330 VanDerWaalsContact O-CG 3.3Å; K326-E330 WeakPolarHBondContact O-CG 3.29Å; K326-E330 PolarHBondContact O-N 2.95Å; V328-E330 PolarHBondContact O-N 3.38Å; E330-K332 PolarHBondContact O-N 3.06Å
331C94Very high90.9Very high18 Ų1876.9 Ų76.912%0.12240%0.402CS..  trans-72.2127.1-172.6-178.60000113.1N29 I327 V328 G329 Q333 H337 H339N29-C331 PolarHBondContact ND2-O 3.41Å; I327-C331 WeakPolarHBondContact O-CB 3.41Å; I327-C331 PolarHBondContact O-N 3.26Å; V328-C331 WeakPolarHBondContact O-CB 3.36Å; V328-C331 PolarHBondContact O-N 3.5Å; G329-C331 VanDerWaalsContact C-N 3.28Å; G329-C331 PolarHBondContact O-N 3.23Å; C331-Q333 PolarHBondContact SG-N 3.01Å; C331-H337 PolarHBondContact SG-NE2 3.01Å; C331-H339 VanDerWaalsContact SG-CE1 3.56Å
332K92.8Very high90.7Very high174 Ų17480.1 Ų80.176%0.75742%0.416SS*.  trans-107.34.6-178.5-57.9179.1-175.6175.80113.9N29 E330N29-K332 HydrophobicContact CB-CG 4.46Å; E330-K332 PolarHBondContact O-N 3.06Å
333Q90.9Very high90.8Very high118 Ų11877.9 Ų77.955%0.55140%0.399SS*.  trans-74.8145.8-179.7-60.9-173.720.800110.4C331 H337C331-Q333 PolarHBondContact SG-N 3.01Å; Q333-H337 HydrophobicContact CB-CB 4.34Å; Q333-H337 PolarHBondContact O-CE1 3.41Å; Q333-H337 PolarHBondContact OE1-CD2 3.08Å; Q333-H337 VanDerWaalsContact OE1-CG 3.29Å
334I80.9Confident90.8Very high166 Ų16679.4 Ų79.485%0.85141%0.413SS*.  trans-111.8143.3-175.7-57.2174.8000108.9
335G79.6Confident90.9Very high53 Ų5379.6 Ų79.655%0.54641%0.414SS..SBendtrans78-167.8-178.600000112.4H337G335-H337 PolarHBondContact O-N 2.97Å; G335-H337 PolarHBondContact O-ND1 3.29Å
336F85.3Confident91Very high154 Ų15481.6 Ų81.668%0.67542%0.422SS*.SBendtrans-72.1121.3178.3-170.9-87.4000110.4V287V287-F336 HydrophobicContact CG2-CD2 4.38Å
337H91.8Very high91.1Very high12 Ų1278.6 Ų78.66%0.05641%0.41CS..  trans-145147.5179.556.2-86.3000111.2S286 H290 C331 Q333 G335 H339S286-H337 WeakPolarHBondContact CB-O 3.44Å; S286-H337 PolarHBondContact OG-O 2.84Å; H290-H337 AromaticContact CD2-CE1 3.9Å; H290-H337 AromaticContact CD2-NE2 3.95Å; H290-H337 AromaticContact NE2-CE1 3.35Å; H290-H337 PolarHBondContact NE2-CE1 3.4Å; H290-H337 VanDerWaalsContact NE2-CE1 3.35Å; H290-H337 AromaticContact NE2-NE2 3.18Å; H290-H337 PolarHBondContact NE2-NE2 3.31Å; H290-H337 VanDerWaalsContact NE2-NE2 3.18Å; C331-H337 PolarHBondContact SG-NE2 3.01Å; Q333-H337 HydrophobicContact CB-CB 4.34Å; Q333-H337 PolarHBondContact O-CE1 3.41Å; Q333-H337 PolarHBondContact OE1-CD2 3.08Å; Q333-H337 VanDerWaalsContact OE1-CG 3.29Å; G335-H337 PolarHBondContact O-N 2.97Å; G335-H337 PolarHBondContact O-ND1 3.29Å; H337-H339 AromaticContact CD2-CD2 3.81Å; H337-H339 AromaticContact CD2-NE2 3.4Å; H337-H339 PolarHBondContact CD2-NE2 3.16Å; H337-H339 AromaticContact NE2-CD2 3.88Å; H337-H339 AromaticContact NE2-CE1 3.74Å; H337-H339 AromaticContact NE2-NE2 3.03Å; H337-H339 PolarHBondContact NE2-NE2 3.3Å
338P90.6Very high91.2Very high111 Ų11182.8 Ų82.872%0.72143%0.428SS*.  trans-75.2152.4174.931.8-34.3000111
339H90.1Very high91.3Very high37 Ų3783.5 Ų83.517%0.17143%0.433CS..  trans-113.9157.7163.1-72.9-100.4000109.9H290 C331 H337 D341 L345H290-H339 AromaticContact NE2-NE2 3.6Å; C331-H339 VanDerWaalsContact SG-CE1 3.56Å; H337-H339 AromaticContact CD2-CD2 3.81Å; H337-H339 AromaticContact CD2-NE2 3.4Å; H337-H339 PolarHBondContact CD2-NE2 3.16Å; H337-H339 AromaticContact NE2-CD2 3.88Å; H337-H339 AromaticContact NE2-CE1 3.74Å; H337-H339 AromaticContact NE2-NE2 3.03Å; H337-H339 PolarHBondContact NE2-NE2 3.3Å; H339-D341 PolarHBondContact O-N 3.45Å; H339-L345 HydrophobicContact CB-CD1 3.33Å
340K87.9Confident91.3Very high161 Ų16186.7 Ų86.770%0.745%0.45SS*.  trans-70.6123.3165.4-171.6-178.3177.8-170.80108.1D342K340-D342 WeakPolarHBondContact CE-O 3.25Å
341D83.1Confident91.4Very high122 Ų12282.5 Ų82.565%0.65243%0.431SS*.  trans-108.513.6-172.662.6-19.5000113.5H339 P343 P344H339-D341 PolarHBondContact O-N 3.45Å; D341-P343 VanDerWaalsContact C-C 3.48Å; D341-P343 CarbonylContact C-O 3.46Å; D341-P343 VanDerWaalsContact C-O 3.23Å; D341-P343 CarbonylContact O-C 3.51Å; D341-P344 VanDerWaalsContact O-CA 3.25Å; D341-P344 WeakPolarHBondContact O-CA 3.21Å; D341-P344 VanDerWaalsContact O-N 3.13Å
342D88.6Confident91.6Very high116 Ų11682.3 Ų82.362%0.6243%0.431SS*.SBendtrans-117.4105.9169.5-175.931.1000110.6K340K340-D342 WeakPolarHBondContact CE-O 3.25Å
343P93Very high91.8Very high67 Ų6776.6 Ų76.644%0.43541%0.412SS..SBendcis-75.8164.63.230.4-31.8000113.6H323 D341 L345H323-P343 PolarHBondContact CD2-O 2.94Å; D341-P343 VanDerWaalsContact C-C 3.48Å; D341-P343 CarbonylContact C-O 3.46Å; D341-P343 VanDerWaalsContact C-O 3.23Å; D341-P343 CarbonylContact O-C 3.51Å; P343-L345 PolarHBondContact O-N 3.31Å
344P95Very high92.2Very high80 Ų8074.2 Ų74.252%0.51940%0.403SS..  trans-56.1133.4-175.9-27.935.2000114.2T320 D341T320-P344 VanDerWaalsContact CG2-O 3.23Å; T320-P344 WeakPolarHBondContact CG2-O 3.3Å; T320-P344 PolarHBondContact OG1-O 3.41Å; D341-P344 VanDerWaalsContact O-CA 3.25Å; D341-P344 WeakPolarHBondContact O-CA 3.21Å; D341-P344 VanDerWaalsContact O-N 3.13Å
345L97Very high93Very high4 Ų468 Ų682%0.02137%0.373CS..SBendtrans-80.3-24.8177-59-172.1000113.1M289 L319 T320 H323 G324 I327 V328 H339 P343M289-L345 HydrophobicContact CE-CD1 4.24Å; M289-L345 HydrophobicContact SD-CB 3.79Å; M289-L345 HydrophobicContact SD-CD1 3.96Å; L319-L345 CarbonylContact C-O 3.54Å; L319-L345 WeakPolarHBondContact CA-O 3.41Å; L319-L345 VanDerWaalsContact CD2-O 3.29Å; L319-L345 WeakPolarHBondContact CD2-O 3.47Å; T320-L345 PolarHBondContact N-O 3.43Å; T320-L345 PolarHBondContact OG1-O 3.39Å; H323-L345 VanDerWaalsContact CD2-CD2 3.49Å; H323-L345 WeakPolarHBondContact CD2-CD2 3.13Å; G324-L345 WeakPolarHBondContact CA-O 2.82Å; I327-L345 HydrophobicContact CB-CD2 3.98Å; I327-L345 HydrophobicContact CG1-CD2 4.15Å; I327-L345 HydrophobicContact CG2-CD1 4.29Å; I327-L345 HydrophobicContact CG2-CD2 3.99Å; V328-L345 HydrophobicContact CG2-CD1 4.41Å; H339-L345 HydrophobicContact CB-CD1 3.33Å; P343-L345 PolarHBondContact O-N 3.31Å
346F97.5Very high93.8Very high59 Ų5973.6 Ų73.626%0.25939%0.391SS..EExtended strand (participates in β ladder)trans-134.9163.2176.170.5-86.5000110.6F283 L284 M289 F317 M318 L319F283-F346 HydrophobicContact CB-CE2 4.42Å; F283-F346 HydrophobicContact CB-CZ 4.02Å; L284-F346 HydrophobicContact CB-CD1 4.06Å; L284-F346 HydrophobicContact CB-CD2 4.24Å; L284-F346 HydrophobicContact CB-CE1 4.32Å; L284-F346 HydrophobicContact CB-CE2 4.49Å; L284-F346 HydrophobicContact CB-CG 4.04Å; L284-F346 HydrophobicContact CD1-CB 3.77Å; L284-F346 HydrophobicContact CD1-CD2 4.32Å; L284-F346 HydrophobicContact CD1-CG 4.05Å; L284-F346 HydrophobicContact CG-CB 4.41Å; L284-F346 HydrophobicContact CG-CD2 4.09Å; L284-F346 HydrophobicContact CG-CG 4.15Å; M289-F346 HydrophobicContact SD-CD1 4.06Å; F317-F346 HydrophobicContact CB-CD2 4.44Å; F317-F346 AromaticContact CD1-CD2 3.84Å; F317-F346 HydrophobicContact CD1-CD2 3.84Å; F317-F346 AromaticContact CD1-CE2 4Å; F317-F346 HydrophobicContact CD1-CE2 4Å; F317-F346 HydrophobicContact CE1-CD2 4.37Å; F317-F346 HydrophobicContact CE1-CE2 4.07Å; F317-F346 HydrophobicContact CG-CD2 4.25Å; M318-F346 CarbonylContact O-C 3.59Å; M318-F346 VanDerWaalsContact O-CA 3.23Å; M318-F346 WeakPolarHBondContact O-CA 3.46Å; M318-F346 WeakPolarHBondContact O-CB 3.48Å; L319-F346 HydrophobicContact CD2-CB 4.26Å
347Q96.9Very high94.4Very high47 Ų4768.7 Ų68.722%0.2238%0.378CS..EExtended strand (participates in β ladder)trans-146.7164.3179.262.4-177.412.300109.7H192 F317 M318 T320H192-Q347 PolarHBondContact NE2-NE2 3.05Å; F317-Q347 WeakPolarHBondContact CA-O 3.43Å; M318-Q347 HydrophobicContact CG-CG 3.82Å; M318-Q347 PolarHBondContact N-O 3.46Å; M318-Q347 PolarHBondContact O-N 2.98Å; M318-Q347 HydrophobicContact SD-CG 4.43Å; T320-Q347 HydrophobicContact CG2-CB 4.08Å; T320-Q347 HydrophobicContact CG2-CG 3.99Å
348Q97.1Very high94.7Very high142 Ų14274.1 Ų74.166%0.66441%0.412SS*.EExtended strand (participates in β ladder)trans-65.3142.7166.4-73.1-170.3-13.600110.3L316 F317 D350L316-Q348 CarbonylContact O-C 3.58Å; L316-Q348 VanDerWaalsContact O-CA 3.28Å; L316-Q348 WeakPolarHBondContact O-CA 3.25Å; F317-Q348 HydrophobicContact CD1-CG 4.09Å; F317-Q348 HydrophobicContact CE1-CG 3.87Å; Q348-D350 PolarHBondContact O-N 3.48Å
349C96.4Very high95Very high15 Ų1569.6 Ų69.610%0.10139%0.386CS..  trans-66125.2175.5-66.10000110.3L316 F317 H351 A352L316-C349 HydrophobicContact CB-CB 4.48Å; L316-C349 PolarHBondContact O-N 3.44Å; F317-C349 PolarHBondContact O-SG 3.42Å; F317-C349 VanDerWaalsContact O-SG 3.34Å; C349-H351 VanDerWaalsContact C-N 3.35Å; C349-A352 HydrophobicContact CB-CB 3.59Å
350D94.5Very high95.4Very high68 Ų6872.4 Ų72.436%0.36440%0.402SS..SBendtrans-84.5-13.417061.7-10.7000112.9N190 K191 H192 Q348N190-D350 HydrophobicContact CB-CB 4.29Å; N190-D350 WeakPolarHBondContact CB-OD2 3.47Å; K191-D350 VanDerWaalsContact CB-OD2 3.28Å; K191-D350 WeakPolarHBondContact CB-OD2 3.4Å; K191-D350 PolarHBondContact N-OD2 3.03Å; K191-D350 VanDerWaalsContact N-OD2 3.11Å; H192-D350 IonicContact CD2-OD2 3.73Å; Q348-D350 PolarHBondContact O-N 3.48Å
351H96.9Very high95.8Very high8 Ų865.9 Ų65.94%0.03737%0.374CS..SBendtrans-104.2-7.7-177.866.3-82.5000113.4N190 L194 P196 V197 E301 M318 C349N190-H351 WeakPolarHBondContact ND2-CB 3.49Å; L194-H351 HydrophobicContact CB-CB 3.89Å; P196-H351 CarbonylContact C-O 3.49Å; P196-H351 VanDerWaalsContact CA-O 3.22Å; P196-H351 WeakPolarHBondContact CA-O 3.47Å; V197-H351 PolarHBondContact N-O 3.49Å; E301-H351 PolarHBondContact O-NE2 3.01Å; M318-H351 VanDerWaalsContact SD-CE1 3.56Å; C349-H351 VanDerWaalsContact C-N 3.35Å
352A97.8Very high96.5Very high15 Ų1561.8 Ų61.812%0.12435%0.352CS..EExtended strand (participates in β ladder)trans-113.5141-177.100000111.7V197 V303 L316 C349V197-A352 HydrophobicContact CB-CB 4.11Å; V197-A352 VanDerWaalsContact O-CA 3.26Å; V197-A352 WeakPolarHBondContact O-CA 3.44Å; V303-A352 HydrophobicContact CG1-CB 4.24Å; V303-A352 HydrophobicContact CG2-CB 3.69Å; L316-A352 HydrophobicContact CD2-CB 3.79Å; C349-A352 HydrophobicContact CB-CB 3.59Å
353S97.9Very high96.9Very high53 Ų5358.1 Ų58.137%0.37133%0.333SS..EExtended strand (participates in β ladder)trans-146.3144.5-179.661.20000112.2V197 L198 V199V197-S353 PolarHBondContact O-N 3.19Å; L198-S353 WeakPolarHBondContact CD2-OG 3.22Å; V199-S353 PolarHBondContact N-O 3.05Å
354L98.1Very high97Very high69 Ų6955.2 Ų55.236%0.36131%0.313SS..EExtended strand (participates in β ladder)trans-71.9147.6168.6-62.6174.5000110.6V199 V204 V314 L316V199-L354 HydrophobicContact CB-CD2 4.14Å; V199-L354 HydrophobicContact CG1-CD2 4.19Å; V199-L354 CarbonylContact O-C 3.53Å; V199-L354 VanDerWaalsContact O-CA 3.25Å; V199-L354 WeakPolarHBondContact O-CA 3.46Å; V204-L354 HydrophobicContact CG2-CD2 4Å; V314-L354 HydrophobicContact CG1-CD1 4.48Å; L316-L354 HydrophobicContact CD1-CD1 4.45Å; L316-L354 HydrophobicContact CD1-CD2 4.28Å; L316-L354 HydrophobicContact CD1-CG 4.17Å
355T98Very high96.9Very high36 Ų3654.5 Ų54.522%0.22130%0.3CS..EExtended strand (participates in β ladder)trans-138161-178.565.40000111.6L198 V199 N201 A357L198-T355 HydrophobicContact CB-CG2 3.96Å; L198-T355 HydrophobicContact CD2-CG2 4.11Å; L198-T355 HydrophobicContact CG-CG2 4.45Å; V199-T355 PolarHBondContact O-N 3.47Å; V199-T355 PolarHBondContact O-OG1 2.8Å; N201-T355 PolarHBondContact N-O 3.3Å; T355-A357 PolarHBondContact O-N 2.78Å
356D97.2Very high95.9Very high170 Ų17060.6 Ų60.691%0.90933%0.333SS*.SBendtrans-816177.4-59.4-35.7000113.8
357A97.1Very high94.3Very high50 Ų5062.4 Ų62.441%0.41335%0.345SS..  trans-65.8167175.600000111.6P200 T355P200-A357 HydrophobicContact CB-CB 4.46Å; P200-A357 WeakPolarHBondContact CB-O 3.42Å; P200-A357 HydrophobicContact CG-CB 4.2Å; T355-A357 PolarHBondContact O-N 2.78Å
358T97.1Very high91.8Very high126 Ų12668.8 Ų68.877%0.77339%0.391SS*.  trans-106.8142174.457.20000111S202S202-T358 WeakPolarHBondContact OG-CA 3.49Å
359G97.3Very high91.5Very high16 Ų1665.2 Ų65.217%0.16538%0.377CS..  trans-133.1172.9169.600000112S202 L203 Q206 T237S202-G359 PolarHBondContact OG-N 3.35Å; L203-G359 VanDerWaalsContact CD2-C 3.46Å; Q206-G359 PolarHBondContact NE2-O 2.96Å; T237-G359 CarbonylContact O-C 3.55Å; T237-G359 VanDerWaalsContact O-CA 3.27Å; T237-G359 WeakPolarHBondContact O-CA 3.24Å
360L98Very high91.3Very high96 Ų9667.8 Ų67.850%0.50339%0.392SS..EExtended strand (participates in β ladder)trans-110.7123.6-177177.565.2000111.6T237 H238 V239 I362T237-L360 PolarHBondContact O-N 2.87Å; H238-L360 WeakPolarHBondContact CA-O 3.47Å; V239-L360 PolarHBondContact N-O 2.7Å; L360-I362 HydrophobicContact CD2-CG1 4.4Å; L360-I362 HydrophobicContact CG-CG1 4.36Å
361L98.1Very high91.1Very high25 Ų2567.8 Ų67.813%0.13139%0.393CS..EExtended strand (participates in β ladder)trans-85.8134168.1-171.9148.3000110.7Q206 F207 V210 V239 V241 D363Q206-L361 HydrophobicContact CB-CB 4Å; Q206-L361 HydrophobicContact CB-CD1 3.97Å; Q206-L361 VanDerWaalsContact OE1-N 3.11Å; F207-L361 HydrophobicContact CB-CD1 4.08Å; F207-L361 HydrophobicContact CD2-CD1 4.42Å; V210-L361 HydrophobicContact CG1-CD1 4.38Å; V210-L361 HydrophobicContact CG1-CD2 3.92Å; V210-L361 HydrophobicContact CG2-CD1 3.64Å; V210-L361 HydrophobicContact CG2-CD2 4.07Å; V239-L361 HydrophobicContact CB-CD1 4.37Å; V239-L361 HydrophobicContact CB-CG 4.36Å; V239-L361 HydrophobicContact CG1-CD1 4.26Å; V239-L361 HydrophobicContact CG1-CG 4.5Å; V239-L361 CarbonylContact O-C 3.54Å; V239-L361 WeakPolarHBondContact O-CA 3.34Å; V241-L361 HydrophobicContact CG2-CD1 4.06Å; V241-L361 HydrophobicContact CG2-CD2 4.04Å; V241-L361 HydrophobicContact CG2-CG 4.15Å; L361-D363 HydrophobicContact CD2-CB 4.02Å
362I97.3Very high90.7Very high35 Ų3571.3 Ų71.318%0.17941%0.414CS..EExtended strand (participates in β ladder)trans-115.9118.9173.8-58.3174.6000107.8V239 I240 V241 I262 L266 L360 L364V239-I362 PolarHBondContact O-N 3.22Å; I240-I362 CarbonylContact C-O 3.58Å; I240-I362 WeakPolarHBondContact CA-O 3.27Å; V241-I362 PolarHBondContact N-O 2.94Å; I262-I362 HydrophobicContact CD1-CG2 4.32Å; I262-I362 HydrophobicContact CG2-CD1 3.86Å; L266-I362 HydrophobicContact CD1-CD1 3.96Å; L360-I362 HydrophobicContact CD2-CG1 4.4Å; L360-I362 HydrophobicContact CG-CG1 4.36Å; I362-L364 HydrophobicContact CG2-CD2 3.74Å; I362-L364 HydrophobicContact CG2-CG 4.47Å
363D96.3Very high90.3Very high40 Ų4074.8 Ų74.821%0.21443%0.432CS..EExtended strand (participates in β ladder)trans-106.5106.6-179.5-169.9-4.9000111.6L361 R365L361-D363 HydrophobicContact CD2-CB 4.02Å; D363-R365 VanDerWaalsContact C-N 3.34Å; D363-R365 VanDerWaalsContact OD1-CB 3.29Å; D363-R365 WeakPolarHBondContact OD1-CB 3.41Å; D363-R365 VanDerWaalsContact OD1-CG 3.3Å; D363-R365 WeakPolarHBondContact OD1-CG 3.46Å; D363-R365 IonicContact OD1-CZ 3.42Å; D363-R365 PolarHBondContact OD1-N 3.24Å; D363-R365 VanDerWaalsContact OD1-N 3.08Å; D363-R365 IonicContact OD1-NE 3.3Å; D363-R365 PolarHBondContact OD1-NE 3.31Å; D363-R365 IonicContact OD1-NH2 3.44Å; D363-R365 IonicContact OD2-CZ 3.47Å; D363-R365 IonicContact OD2-NE 3.88Å; D363-R365 PolarHBondContact OD2-NE 3.27Å; D363-R365 IonicContact OD2-NH2 3.78Å; D363-R365 PolarHBondContact OD2-NH2 3.29Å
364L95.4Very high89.8Confident6 Ų676.3 Ų76.33%0.03144%0.436CS..G310 helixtrans-86.6-4.1-177.8-53.2-179.4000113.4I240 V241 K243 E258 I262 I362 N366I240-L364 HydrophobicContact CG2-CD1 3.63Å; I240-L364 HydrophobicContact CG2-CG 4.06Å; V241-L364 WeakPolarHBondContact O-CB 3.39Å; V241-L364 PolarHBondContact O-N 2.98Å; K243-L364 WeakPolarHBondContact CE-O 3.37Å; K243-L364 WeakPolarHBondContact CG-O 3.32Å; E258-L364 HydrophobicContact CB-CD1 4.17Å; I262-L364 HydrophobicContact CD1-CD1 3.81Å; I262-L364 HydrophobicContact CD1-CD2 3.25Å; I262-L364 HydrophobicContact CD1-CG 4.1Å; I362-L364 HydrophobicContact CG2-CD2 3.74Å; I362-L364 HydrophobicContact CG2-CG 4.47Å; L364-N366 PolarHBondContact O-N 3.04Å
365R92.4Very high89.2Confident65 Ų6576.8 Ų76.825%0.24544%0.442CS..G310 helixtrans-68.1-22.6-179.4-60.5174.7-63.2171.74.2112.4V210 V241 P242 D363V210-R365 PolarHBondContact O-NH2 3.45Å; V241-R365 HydrophobicContact CG1-CG 4.25Å; P242-R365 VanDerWaalsContact O-CG 3.26Å; P242-R365 WeakPolarHBondContact O-CG 3.49Å; D363-R365 VanDerWaalsContact C-N 3.34Å; D363-R365 VanDerWaalsContact OD1-CB 3.29Å; D363-R365 WeakPolarHBondContact OD1-CB 3.41Å; D363-R365 VanDerWaalsContact OD1-CG 3.3Å; D363-R365 WeakPolarHBondContact OD1-CG 3.46Å; D363-R365 IonicContact OD1-CZ 3.42Å; D363-R365 PolarHBondContact OD1-N 3.24Å; D363-R365 VanDerWaalsContact OD1-N 3.08Å; D363-R365 IonicContact OD1-NE 3.3Å; D363-R365 PolarHBondContact OD1-NE 3.31Å; D363-R365 IonicContact OD1-NH2 3.44Å; D363-R365 IonicContact OD2-CZ 3.47Å; D363-R365 IonicContact OD2-NE 3.88Å; D363-R365 PolarHBondContact OD2-NE 3.27Å; D363-R365 IonicContact OD2-NH2 3.78Å; D363-R365 PolarHBondContact OD2-NH2 3.29Å
366N76.2Confident88.5Confident132 Ų13279.9 Ų79.971%0.70646%0.459SS*.G310 helixtrans-112.33.3-174.6-59.3-44.3000113.7L364L364-N366 PolarHBondContact O-N 3.04Å
367D63.9Low87.8Confident97 Ų9772.4 Ų72.452%0.51942%0.421SS..  trans-78122.5176.8-153.86000108.8
368P44.4Very low87Confident181 Ų18174.5 Ų74.5100%1.17542%0.422SS*.  trans-61.30-175.221.4-34.1000115.8

Retrieved 368 of 368 residues in 172.3 ms (Link to these results)

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