A0A087X8P3_POEFO Loading...

Beta-ureidopropionase

Catalyzes a late step in pyrimidine degradation. Converts N-carbamoyl-beta-alanine (3-ureidopropanoate) into beta-alanine, ammonia and carbon dioxide. Likewise, converts N-carbamoyl-beta-aminoisobutyrate (3-ureidoisobutyrate) into beta-aminoisobutyrate, ammonia and carbon dioxide.

AlphaFold DB , UniProt , Accession A0A087X8P3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 383 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
1M48.8Very low75.1Confident192 Ų19276.5 Ų76.595%0.94641%0.408SS*.  0121.60-76.1-179.2-86.800107.3E5M1-E5 WeakPolarHBondContact CA-OE2 3.39Å
2S53.7Low76.6Confident65 Ų6573.9 Ų73.946%0.45540%0.401SS..  trans-60.5151.8168.9173.90000109C4 E5S2-C4 PolarHBondContact O-N 3Å; S2-C4 PolarHBondContact OG-N 3.46Å; S2-E5 PolarHBondContact N-OE2 2.58Å; S2-E5 PolarHBondContact O-N 3.2Å
3A58.8Low77.9Confident57 Ų5770.4 Ų70.447%0.47138%0.381SS..THydrogen-bonded Turntrans-54.5-24.2173.800000112.1R331A3-R331 PolarHBondContact O-NH1 3.18Å
4C60.3Low79Confident64 Ų6472.5 Ų72.543%0.43239%0.387SS..THydrogen-bonded Turntrans-80-8.2177.2-53.10000114.7S2S2-C4 PolarHBondContact O-N 3Å; S2-C4 PolarHBondContact OG-N 3.46Å
5E70.8Confident80Confident132 Ų13273.4 Ų73.462%0.61740%0.401SS*.THydrogen-bonded Turntrans-102.3-21.3-176.7-67.3173.3159.400113.2M1 S2 E7M1-E5 WeakPolarHBondContact CA-OE2 3.39Å; S2-E5 PolarHBondContact N-OE2 2.58Å; S2-E5 PolarHBondContact O-N 3.2Å; E5-E7 PolarHBondContact O-N 3.45Å
6F85.5Confident81Confident58 Ų5878 Ų7825%0.25442%0.419SS..  trans-80.4108-179.4-179.8-107.9000110.6S8 L9 R331F6-S8 WeakPolarHBondContact CZ-O 3.46Å; F6-L9 HydrophobicContact CE1-CB 4.4Å; F6-L9 HydrophobicContact CZ-CB 4.32Å; F6-R331 WeakPolarHBondContact O-CD 2.96Å; F6-R331 PolarHBondContact O-NH1 2.96Å
7E86.8Confident81.9Confident60 Ų6076.3 Ų76.328%0.2841%0.409SS..  trans-76.6-43.6-171.7-173.6-177.5-166.500113.6E5 K11 R331E5-E7 PolarHBondContact O-N 3.45Å; E7-K11 IonicContact OE2-NZ 2.87Å; E7-K11 PolarHBondContact OE2-NZ 3.08Å; E7-R331 PolarHBondContact O-N 3.35Å
8S89.5Confident82.8Confident10 Ų1075.9 Ų75.97%0.0741%0.412CS..  trans-162.4140.4-174.9156.80000111.4F6 E10 K11 S12F6-S8 WeakPolarHBondContact CZ-O 3.46Å; S8-E10 PolarHBondContact OG-N 3.25Å; S8-E10 VanDerWaalsContact OG-N 3.14Å; S8-E10 PolarHBondContact OG-OE2 3.05Å; S8-K11 PolarHBondContact OG-N 3.12Å; S8-S12 PolarHBondContact O-N 2.7Å
9L90.7Very high83.4Confident81 Ų8181.1 Ų81.142%0.42443%0.433SS..Hα-helixtrans-61.2-47.1171.1175.563.3000111.4F6 K11 S12 L13F6-L9 HydrophobicContact CE1-CB 4.4Å; F6-L9 HydrophobicContact CZ-CB 4.32Å; L9-K11 PolarHBondContact O-N 3.42Å; L9-S12 WeakPolarHBondContact O-CB 3.48Å; L9-S12 PolarHBondContact O-N 3.07Å; L9-S12 VanDerWaalsContact O-N 3.16Å; L9-L13 HydrophobicContact CD1-CD1 4.2Å; L9-L13 HydrophobicContact CD1-CG 4.17Å; L9-L13 HydrophobicContact CG-CD1 4.02Å; L9-L13 HydrophobicContact CG-CG 4.38Å; L9-L13 WeakPolarHBondContact O-CG 3.19Å; L9-L13 PolarHBondContact O-N 3.08Å
10E90.6Very high84Confident14 Ų1481.2 Ų81.27%0.06545%0.445CS..Hα-helixtrans-64.8-43.5-174.2-61.285.8173.900111.7S8 S12 L13 E14 F30 P327 G328S8-E10 PolarHBondContact OG-N 3.25Å; S8-E10 VanDerWaalsContact OG-N 3.14Å; S8-E10 PolarHBondContact OG-OE2 3.05Å; E10-S12 VanDerWaalsContact C-N 3.27Å; E10-S12 PolarHBondContact O-N 2.83Å; E10-L13 PolarHBondContact O-N 3.34Å; E10-E14 WeakPolarHBondContact O-CB 3.48Å; E10-E14 VanDerWaalsContact O-CG 3.23Å; E10-E14 WeakPolarHBondContact O-CG 3.34Å; E10-E14 PolarHBondContact O-N 3.35Å; E10-F30 HydrophobicContact CG-CE1 4.03Å; E10-F30 HydrophobicContact CG-CE2 4.36Å; E10-F30 HydrophobicContact CG-CZ 3.57Å; E10-F30 VanDerWaalsContact OE1-CE1 3.28Å; E10-F30 WeakPolarHBondContact OE1-CE1 3.48Å; E10-F30 WeakPolarHBondContact OE1-CZ 3.26Å; E10-P327 HydrophobicContact CG-CB 3.82Å; E10-P327 HydrophobicContact CG-CG 4.37Å; E10-P327 WeakPolarHBondContact OE1-CA 3.43Å; E10-G328 PolarHBondContact OE1-N 2.93Å
11K90.6Very high84.6Confident108 Ų10882.6 Ų82.647%0.4745%0.449SS..Hα-helixtrans-60.9-38.7175.3-174.9174175.2179.90111.6E7 S8 L9 S15E7-K11 IonicContact OE2-NZ 2.87Å; E7-K11 PolarHBondContact OE2-NZ 3.08Å; S8-K11 PolarHBondContact OG-N 3.12Å; L9-K11 PolarHBondContact O-N 3.42Å; K11-S15 WeakPolarHBondContact O-CB 3.46Å; K11-S15 PolarHBondContact O-N 3.39Å; K11-S15 VanDerWaalsContact O-N 3.09Å; K11-S15 PolarHBondContact O-OG 2.87Å
12S92.6Very high86.8Confident46 Ų4674.6 Ų74.632%0.32241%0.41SS..Hα-helixtrans-65.4-47.4176.1-176.60000111.4S8 L9 E10 E14 S15 H16S8-S12 PolarHBondContact O-N 2.7Å; L9-S12 WeakPolarHBondContact O-CB 3.48Å; L9-S12 PolarHBondContact O-N 3.07Å; L9-S12 VanDerWaalsContact O-N 3.16Å; E10-S12 VanDerWaalsContact C-N 3.27Å; E10-S12 PolarHBondContact O-N 2.83Å; S12-E14 PolarHBondContact O-N 2.95Å; S12-S15 PolarHBondContact O-N 2.72Å; S12-H16 PolarHBondContact O-N 3.49Å; S12-H16 PolarHBondContact O-ND1 3.18Å
13L94.3Very high88.8Confident28 Ų2874.5 Ų74.515%0.14741%0.413CS..Hα-helixtrans-60.7-46.9176.7-64.5174.9000111.8L9 E10 S15 H16 L17 L22 V25 L29 F30L9-L13 HydrophobicContact CD1-CD1 4.2Å; L9-L13 HydrophobicContact CD1-CG 4.17Å; L9-L13 HydrophobicContact CG-CD1 4.02Å; L9-L13 HydrophobicContact CG-CG 4.38Å; L9-L13 WeakPolarHBondContact O-CG 3.19Å; L9-L13 PolarHBondContact O-N 3.08Å; E10-L13 PolarHBondContact O-N 3.34Å; L13-S15 VanDerWaalsContact C-N 3.26Å; L13-S15 PolarHBondContact O-N 3.19Å; L13-H16 PolarHBondContact O-N 2.96Å; L13-L17 HydrophobicContact CB-CD1 4.35Å; L13-L17 HydrophobicContact CD2-CD1 3.95Å; L13-L17 WeakPolarHBondContact O-CB 3.36Å; L13-L17 PolarHBondContact O-N 3.24Å; L13-L22 HydrophobicContact CB-CD1 3.93Å; L13-V25 HydrophobicContact CD1-CG1 4.18Å; L13-V25 HydrophobicContact CD2-CG1 4.34Å; L13-L29 HydrophobicContact CD1-CD1 3.92Å; L13-F30 HydrophobicContact CD1-CE2 4.43Å
14E92.9Very high90.6Very high100 Ų10076 Ų7647%0.46741%0.41SS..Hα-helixtrans-62.7-31.7-179.2-74.2173175.500113.2E10 S12 L22 K26E10-E14 WeakPolarHBondContact O-CB 3.48Å; E10-E14 VanDerWaalsContact O-CG 3.23Å; E10-E14 WeakPolarHBondContact O-CG 3.34Å; E10-E14 PolarHBondContact O-N 3.35Å; S12-E14 PolarHBondContact O-N 2.95Å; E14-L22 HydrophobicContact CB-CD2 4.47Å; E14-L22 HydrophobicContact CG-CD1 4.34Å; E14-L22 HydrophobicContact CG-CD2 4.02Å; E14-K26 IonicContact OE1-NZ 3.23Å; E14-K26 PolarHBondContact OE1-NZ 3.12Å
15S94.3Very high92.3Very high86 Ų8675 Ų7560%0.60140%0.402SS*.Hα-helixtrans-84.6-15.7-177.7-56.90000113.5K11 S12 L13K11-S15 WeakPolarHBondContact O-CB 3.46Å; K11-S15 PolarHBondContact O-N 3.39Å; K11-S15 VanDerWaalsContact O-N 3.09Å; K11-S15 PolarHBondContact O-OG 2.87Å; S12-S15 PolarHBondContact O-N 2.72Å; L13-S15 VanDerWaalsContact C-N 3.26Å; L13-S15 PolarHBondContact O-N 3.19Å
16H96.1Very high93.5Very high147 Ų14771.6 Ų71.668%0.68139%0.385SS*.Hα-helixtrans-126-13.2-169.4-60.986.3000114.8S12 L13S12-H16 PolarHBondContact O-N 3.49Å; S12-H16 PolarHBondContact O-ND1 3.18Å; L13-H16 PolarHBondContact O-N 2.96Å
17L96.6Very high94.1Very high49 Ų4975.4 Ų75.426%0.25740%0.398SS..SBendtrans-104.5138.7178.1-66.3177.9000111.9L13 L22 V25L13-L17 HydrophobicContact CB-CD1 4.35Å; L13-L17 HydrophobicContact CD2-CD1 3.95Å; L13-L17 WeakPolarHBondContact O-CB 3.36Å; L13-L17 PolarHBondContact O-N 3.24Å; L17-L22 HydrophobicContact CB-CB 4.03Å; L17-L22 HydrophobicContact CB-CD1 4.42Å; L17-L22 HydrophobicContact CD1-CD1 4.35Å; L17-V25 HydrophobicContact CD1-CB 4.09Å; L17-V25 HydrophobicContact CD1-CG1 4.09Å; L17-V25 HydrophobicContact CD1-CG2 3.88Å
18P96.8Very high94.6Very high70 Ų7077.5 Ų77.546%0.45541%0.41SS..  trans-57.5149.8167.7-21.732.6000111.6A20 E21 L22P18-A20 VanDerWaalsContact C-N 3.32Å; P18-A20 PolarHBondContact O-N 3.06Å; P18-E21 PolarHBondContact O-N 2.79Å; P18-L22 WeakPolarHBondContact O-CB 3.32Å; P18-L22 PolarHBondContact O-N 3.36Å
19E95.1Very high95Very high173 Ų17380.7 Ų80.781%0.80843%0.426SS*.Hα-helixtrans-53.6-43.5-173.6-173.2177.6-178.100113.9L22 A23E19-L22 PolarHBondContact O-N 2.86Å; E19-A23 WeakPolarHBondContact O-CB 3.43Å; E19-A23 PolarHBondContact O-N 3.5Å
20A94.6Very high95.3Very high83 Ų8377.5 Ų77.569%0.68641%0.409SS*.Hα-helixtrans-66-41.3179.100000112.7P18 E24P18-A20 VanDerWaalsContact C-N 3.32Å; P18-A20 PolarHBondContact O-N 3.06Å; A20-E24 PolarHBondContact O-N 2.98Å
21E96.9Very high95.6Very high112 Ų11277.7 Ų77.752%0.52341%0.414SS..Hα-helixtrans-71-40.7176.6-69.1-179.5-149.700111.2P18 A23 E24 V25P18-E21 PolarHBondContact O-N 2.79Å; E21-A23 VanDerWaalsContact C-N 3.3Å; E21-A23 PolarHBondContact O-N 3.1Å; E21-E24 PolarHBondContact O-N 3.34Å; E21-V25 WeakPolarHBondContact O-CB 3.48Å; E21-V25 WeakPolarHBondContact O-CG2 3.5Å; E21-V25 PolarHBondContact O-N 2.8Å
22L95.6Very high95.6Very high23 Ų2380.6 Ų80.612%0.1242%0.422CS..Hα-helixtrans-58.7-41.6176.3178.764.5000111.5L13 E14 L17 P18 E19 E24 K26L13-L22 HydrophobicContact CB-CD1 3.93Å; E14-L22 HydrophobicContact CB-CD2 4.47Å; E14-L22 HydrophobicContact CG-CD1 4.34Å; E14-L22 HydrophobicContact CG-CD2 4.02Å; L17-L22 HydrophobicContact CB-CB 4.03Å; L17-L22 HydrophobicContact CB-CD1 4.42Å; L17-L22 HydrophobicContact CD1-CD1 4.35Å; P18-L22 WeakPolarHBondContact O-CB 3.32Å; P18-L22 PolarHBondContact O-N 3.36Å; E19-L22 PolarHBondContact O-N 2.86Å; L22-E24 VanDerWaalsContact C-N 3.35Å; L22-K26 HydrophobicContact CD1-CD 4.22Å; L22-K26 HydrophobicContact CD1-CG 4.23Å; L22-K26 HydrophobicContact CG-CD 4.17Å; L22-K26 VanDerWaalsContact O-CB 3.26Å; L22-K26 WeakPolarHBondContact O-CB 3.45Å; L22-K26 VanDerWaalsContact O-CG 3.31Å; L22-K26 WeakPolarHBondContact O-CG 3.3Å; L22-K26 PolarHBondContact O-N 2.95Å
23A94.6Very high95.5Very high63 Ų6386 Ų8652%0.52144%0.442SS..Hα-helixtrans-60.7-44.4176.600000111.6E19 E21 K26 R27E19-A23 WeakPolarHBondContact O-CB 3.43Å; E19-A23 PolarHBondContact O-N 3.5Å; E21-A23 VanDerWaalsContact C-N 3.3Å; E21-A23 PolarHBondContact O-N 3.1Å; A23-K26 PolarHBondContact O-N 2.79Å; A23-R27 WeakPolarHBondContact O-CB 3.27Å; A23-R27 PolarHBondContact O-N 3.48Å
24E96.9Very high95.4Very high88 Ų8885.3 Ų85.341%0.41144%0.439SS..Hα-helixtrans-71.3-42179.9-176.859.7-171.500112.3A20 E21 L22 K26 R27 I28A20-E24 PolarHBondContact O-N 2.98Å; E21-E24 PolarHBondContact O-N 3.34Å; L22-E24 VanDerWaalsContact C-N 3.35Å; E24-K26 VanDerWaalsContact C-N 3.3Å; E24-K26 PolarHBondContact O-N 2.76Å; E24-R27 WeakPolarHBondContact O-CB 3.29Å; E24-R27 PolarHBondContact O-N 2.87Å; E24-R27 IonicContact OE1-CZ 2.91Å; E24-R27 IonicContact OE1-NE 2.99Å; E24-R27 PolarHBondContact OE1-NE 2.95Å; E24-R27 IonicContact OE1-NH2 2.79Å; E24-R27 PolarHBondContact OE1-NH2 3.4Å; E24-R27 IonicContact OE2-CZ 2.72Å; E24-R27 IonicContact OE2-NE 3.95Å; E24-R27 PolarHBondContact OE2-NE 2.85Å; E24-R27 IonicContact OE2-NH2 2.76Å; E24-I28 HydrophobicContact CG-CD1 4.3Å; E24-I28 WeakPolarHBondContact O-CG1 3.22Å; E24-I28 PolarHBondContact O-N 2.88Å; E24-I28 VanDerWaalsContact O-N 3.08Å
25V97.1Very high95.6Very high43 Ų4383 Ų8326%0.26143%0.433SS..Hα-helixtrans-59.2-44.4172.6168.80000110.2L13 L17 E21 R27 I28 L29L13-V25 HydrophobicContact CD1-CG1 4.18Å; L13-V25 HydrophobicContact CD2-CG1 4.34Å; L17-V25 HydrophobicContact CD1-CB 4.09Å; L17-V25 HydrophobicContact CD1-CG1 4.09Å; L17-V25 HydrophobicContact CD1-CG2 3.88Å; E21-V25 WeakPolarHBondContact O-CB 3.48Å; E21-V25 WeakPolarHBondContact O-CG2 3.5Å; E21-V25 PolarHBondContact O-N 2.8Å; V25-R27 PolarHBondContact O-N 3.43Å; V25-I28 PolarHBondContact O-N 3.35Å; V25-L29 HydrophobicContact CG1-CD1 3.61Å; V25-L29 HydrophobicContact CG1-CG 4.17Å; V25-L29 WeakPolarHBondContact O-CB 3.42Å; V25-L29 WeakPolarHBondContact O-CG 3.37Å; V25-L29 PolarHBondContact O-N 2.71Å
26K96.3Very high95.7Very high61 Ų6187 Ų8727%0.26544%0.439SS..Hα-helixtrans-63.8-40.8176.8-80179.9171.7178.40112E14 L22 A23 E24 I28 L29 F30 G31E14-K26 IonicContact OE1-NZ 3.23Å; E14-K26 PolarHBondContact OE1-NZ 3.12Å; L22-K26 HydrophobicContact CD1-CD 4.22Å; L22-K26 HydrophobicContact CD1-CG 4.23Å; L22-K26 HydrophobicContact CG-CD 4.17Å; L22-K26 VanDerWaalsContact O-CB 3.26Å; L22-K26 WeakPolarHBondContact O-CB 3.45Å; L22-K26 VanDerWaalsContact O-CG 3.31Å; L22-K26 WeakPolarHBondContact O-CG 3.3Å; L22-K26 PolarHBondContact O-N 2.95Å; A23-K26 PolarHBondContact O-N 2.79Å; E24-K26 VanDerWaalsContact C-N 3.3Å; E24-K26 PolarHBondContact O-N 2.76Å; K26-I28 VanDerWaalsContact C-N 3.29Å; K26-I28 PolarHBondContact O-N 3.43Å; K26-L29 PolarHBondContact O-N 2.86Å; K26-F30 HydrophobicContact CB-CD2 4.29Å; K26-F30 HydrophobicContact CG-CD2 4.15Å; K26-F30 HydrophobicContact CG-CE2 4.4Å; K26-F30 WeakPolarHBondContact O-CA 3.32Å; K26-F30 WeakPolarHBondContact O-CB 3.44Å; K26-F30 PolarHBondContact O-N 3.27Å; K26-G31 PolarHBondContact O-N 2.88Å
27R96.6Very high95.7Very high138 Ų13881.1 Ų81.152%0.52141%0.413SS..Hα-helixtrans-57.9-41.3176.7-169.5-16967.572.5-1112.1A23 E24 V25 G31A23-R27 WeakPolarHBondContact O-CB 3.27Å; A23-R27 PolarHBondContact O-N 3.48Å; E24-R27 WeakPolarHBondContact O-CB 3.29Å; E24-R27 PolarHBondContact O-N 2.87Å; E24-R27 IonicContact OE1-CZ 2.91Å; E24-R27 IonicContact OE1-NE 2.99Å; E24-R27 PolarHBondContact OE1-NE 2.95Å; E24-R27 IonicContact OE1-NH2 2.79Å; E24-R27 PolarHBondContact OE1-NH2 3.4Å; E24-R27 IonicContact OE2-CZ 2.72Å; E24-R27 IonicContact OE2-NE 3.95Å; E24-R27 PolarHBondContact OE2-NE 2.85Å; E24-R27 IonicContact OE2-NH2 2.76Å; V25-R27 PolarHBondContact O-N 3.43Å; R27-G31 WeakPolarHBondContact CA-O 3.42Å; R27-G31 CarbonylContact O-C 3.56Å; R27-G31 WeakPolarHBondContact O-CA 3.35Å; R27-G31 PolarHBondContact O-N 3.27Å; R27-G31 VanDerWaalsContact O-N 3.11Å
28I97.3Very high95.8Very high105 Ų10585 Ų8554%0.53844%0.439SS..Hα-helixtrans-76.9-48.2-179.8-63.1166.8000110.7E24 V25 K26E24-I28 HydrophobicContact CG-CD1 4.3Å; E24-I28 WeakPolarHBondContact O-CG1 3.22Å; E24-I28 PolarHBondContact O-N 2.88Å; E24-I28 VanDerWaalsContact O-N 3.08Å; V25-I28 PolarHBondContact O-N 3.35Å; K26-I28 VanDerWaalsContact C-N 3.29Å; K26-I28 PolarHBondContact O-N 3.43Å
29L97.4Very high95.9Very high76 Ų7683 Ų8340%0.39843%0.425SS..Hα-helixtrans-75.8-36.3-173.9-68.1-176.7000113.5L13 V25 K26 R272L13-L29 HydrophobicContact CD1-CD1 3.92Å; V25-L29 HydrophobicContact CG1-CD1 3.61Å; V25-L29 HydrophobicContact CG1-CG 4.17Å; V25-L29 WeakPolarHBondContact O-CB 3.42Å; V25-L29 WeakPolarHBondContact O-CG 3.37Å; V25-L29 PolarHBondContact O-N 2.71Å; K26-L29 PolarHBondContact O-N 2.86Å; L29-R272 PolarHBondContact O-NH1 3.23Å; L29-R272 PolarHBondContact O-NH2 3.25Å
30F97.2Very high96Very high15 Ų1577 Ų777%0.06640%0.401CS..Hα-helixtrans-112.4-14.2-174.9-59.3-88000113.1E10 L13 K26 R272 S324 R325E10-F30 HydrophobicContact CG-CE1 4.03Å; E10-F30 HydrophobicContact CG-CE2 4.36Å; E10-F30 HydrophobicContact CG-CZ 3.57Å; E10-F30 VanDerWaalsContact OE1-CE1 3.28Å; E10-F30 WeakPolarHBondContact OE1-CE1 3.48Å; E10-F30 WeakPolarHBondContact OE1-CZ 3.26Å; L13-F30 HydrophobicContact CD1-CE2 4.43Å; K26-F30 HydrophobicContact CB-CD2 4.29Å; K26-F30 HydrophobicContact CG-CD2 4.15Å; K26-F30 HydrophobicContact CG-CE2 4.4Å; K26-F30 WeakPolarHBondContact O-CA 3.32Å; K26-F30 WeakPolarHBondContact O-CB 3.44Å; K26-F30 PolarHBondContact O-N 3.27Å; F30-R272 PolarHBondContact O-NH2 3.4Å; F30-S324 CarbonylContact O-C 3.6Å; F30-S324 WeakPolarHBondContact O-CA 3.42Å; F30-R325 HydrophobicContact CB-CG 4.2Å; F30-R325 HydrophobicContact CD1-CG 4.03Å; F30-R325 WeakPolarHBondContact O-CG 3.48Å; F30-R325 PolarHBondContact O-N 3.19Å
31G96.8Very high96.2Very high17 Ų1777.1 Ų77.118%0.17540%0.396CS..SBendtrans85.5-147.5-174.300000111.3K26 R27 E33K26-G31 PolarHBondContact O-N 2.88Å; R27-G31 WeakPolarHBondContact CA-O 3.42Å; R27-G31 CarbonylContact O-C 3.56Å; R27-G31 WeakPolarHBondContact O-CA 3.35Å; R27-G31 PolarHBondContact O-N 3.27Å; R27-G31 VanDerWaalsContact O-N 3.11Å; G31-E33 PolarHBondContact O-N 3.03Å
32R92.4Very high96.3Very high169 Ų16974.9 Ų74.964%0.63839%0.392SS*.SBendtrans-57.4138.5173.6-176.8-179.5176.4-170-1.6109.8T34 S324R32-T34 PolarHBondContact O-N 3.11Å; R32-S324 WeakPolarHBondContact O-CB 3.27Å
33E90.1Very high96.4Very high160 Ų16073.8 Ų73.875%0.74839%0.386SS*.  trans-57.6126.1176.3-174.7177.4-162.600110.6G31 P35G31-E33 PolarHBondContact O-N 3.03Å; E33-P35 WeakPolarHBondContact O-CD 3.32Å
34T92.7Very high96.6Very high14 Ų1474.4 Ų74.49%0.08638%0.384CS..  trans-87.8109.5172.755.10000108.7R32 F59R32-T34 PolarHBondContact O-N 3.11Å; T34-F59 HydrophobicContact CG2-CD1 4.24Å; T34-F59 HydrophobicContact CG2-CE1 3.63Å; T34-F59 HydrophobicContact CG2-CE2 4.09Å; T34-F59 HydrophobicContact CG2-CZ 3.55Å
35P95.3Very high96.7Very high52 Ų5276.3 Ų76.334%0.33839%0.392SS..PPolyproline II helixtrans-63.2149.8-177.1-19.431.6000111.3E33 Y57 K58E33-P35 WeakPolarHBondContact O-CD 3.32Å; P35-Y57 CarbonylContact O-C 3.52Å; P35-Y57 WeakPolarHBondContact O-CA 3.44Å; P35-K58 HydrophobicContact CB-CD 4.32Å; P35-K58 HydrophobicContact CB-CG 3.94Å; P35-K58 WeakPolarHBondContact CD-O 3.44Å; P35-K58 HydrophobicContact CG-CG 4.2Å; P35-K58 PolarHBondContact O-N 2.66Å
36K97Very high96.8Very high169 Ų16974.7 Ų74.774%0.73538%0.384SS*.BIsolated β-bridgetrans-66.3140.1173.8-67.6-175.1-180178.70110.5G56 Y57K36-G56 WeakPolarHBondContact CA-O 3.3Å; K36-Y57 HydrophobicContact CG-CD1 4.45Å; K36-Y57 HydrophobicContact CG-CE1 4.23Å
37L97.4Very high96.9Very high23 Ų2371.9 Ų71.912%0.1237%0.372CS..PPolyproline II helixtrans-87.7130.9170.6-177.566.1000108.8L39 G56 V338 E340L37-L39 HydrophobicContact CB-CD2 4.48Å; L37-L39 HydrophobicContact CD2-CD2 3.86Å; L37-L39 HydrophobicContact CG-CD2 4.1Å; L37-L39 PolarHBondContact O-N 2.86Å; L37-G56 PolarHBondContact N-O 3.01Å; L37-V338 HydrophobicContact CD2-CG1 3.91Å; L37-E340 HydrophobicContact CD1-CB 4.35Å; L37-E340 HydrophobicContact CD2-CB 4.38Å
38T97.8Very high97Very high132 Ų13268.7 Ų68.781%0.8138%0.375SS*.  trans-71.1110.9171.7-54.30000109
39L98.3Very high97Very high28 Ų2871.4 Ų71.415%0.14739%0.385CS..  trans-90.7146.9177.4-58.4-179.7000110.4L37 V44 L54 C110 V338L37-L39 HydrophobicContact CB-CD2 4.48Å; L37-L39 HydrophobicContact CD2-CD2 3.86Å; L37-L39 HydrophobicContact CG-CD2 4.1Å; L37-L39 PolarHBondContact O-N 2.86Å; L39-V44 HydrophobicContact CB-CG2 4.18Å; L39-L54 HydrophobicContact CD1-CD1 3.94Å; L39-L54 HydrophobicContact CD1-CD2 3.83Å; L39-L54 HydrophobicContact CD1-CG 3.53Å; L39-C110 HydrophobicContact CD2-CB 4.45Å; L39-V338 HydrophobicContact CD2-CB 4.19Å; L39-V338 HydrophobicContact CD2-CG1 4.26Å
40P98.6Very high97.1Very high47 Ų4770.6 Ų70.631%0.30538%0.377SS..  trans-58.6139.8176.6-25.136.3000112.1C42 A43 V44 M109P40-C42 VanDerWaalsContact C-N 3.29Å; P40-C42 PolarHBondContact O-N 3.48Å; P40-A43 HydrophobicContact CB-CB 4.29Å; P40-A43 WeakPolarHBondContact O-CB 3.46Å; P40-A43 PolarHBondContact O-N 2.99Å; P40-V44 PolarHBondContact O-N 3.49Å; P40-V44 VanDerWaalsContact O-N 3.16Å; P40-M109 WeakPolarHBondContact CG-O 3.37Å
41S98.3Very high97.1Very high84 Ų8476.7 Ų76.759%0.58741%0.405SS*.Hα-helixtrans-58.6-40.8-179.256.70000112.3A43 V44 E45S41-A43 VanDerWaalsContact C-N 3.25Å; S41-A43 PolarHBondContact O-N 2.93Å; S41-V44 PolarHBondContact O-N 3.11Å; S41-V44 VanDerWaalsContact O-N 3.11Å; S41-E45 WeakPolarHBondContact O-CB 3.3Å; S41-E45 WeakPolarHBondContact O-CG 3.34Å; S41-E45 PolarHBondContact O-N 2.74Å
42C98.3Very high97.2Very high65 Ų6576.1 Ų76.144%0.43940%0.398SS..Hα-helixtrans-59.4-34.7176.158.80000113P40 A46P40-C42 VanDerWaalsContact C-N 3.29Å; P40-C42 PolarHBondContact O-N 3.48Å; C42-A46 WeakPolarHBondContact O-CB 3.29Å; C42-A46 PolarHBondContact O-N 3.47Å
43A98.7Very high97.5Very high0 Ų069.3 Ų69.30%037%0.374CS..Hα-helixtrans-71.8-39.4176.800000111.3P40 S41 A47 L54 V106 M109 C110P40-A43 HydrophobicContact CB-CB 4.29Å; P40-A43 WeakPolarHBondContact O-CB 3.46Å; P40-A43 PolarHBondContact O-N 2.99Å; S41-A43 VanDerWaalsContact C-N 3.25Å; S41-A43 PolarHBondContact O-N 2.93Å; A43-A47 WeakPolarHBondContact O-CB 3.42Å; A43-A47 PolarHBondContact O-N 3.25Å; A43-L54 HydrophobicContact CB-CD2 4.17Å; A43-V106 HydrophobicContact CB-CG1 3.98Å; A43-V106 WeakPolarHBondContact O-CG1 3.28Å; A43-M109 HydrophobicContact CB-CB 3.87Å; A43-M109 HydrophobicContact CB-SD 4.46Å; A43-C110 VanDerWaalsContact CB-SG 3.51Å
44V98.6Very high97.9Very high77 Ų7763.2 Ų63.247%0.46735%0.346SS..Hα-helixtrans-65.4-45.1175.9177.50000111L39 P40 S41 A47 A48 L54L39-V44 HydrophobicContact CB-CG2 4.18Å; P40-V44 PolarHBondContact O-N 3.49Å; P40-V44 VanDerWaalsContact O-N 3.16Å; S41-V44 PolarHBondContact O-N 3.11Å; S41-V44 VanDerWaalsContact O-N 3.11Å; V44-A47 PolarHBondContact O-N 3.24Å; V44-A48 WeakPolarHBondContact O-CB 3.48Å; V44-A48 PolarHBondContact O-N 3.49Å; V44-L54 HydrophobicContact CG2-CD2 4.24Å
45E98.6Very high98.2Very high127 Ų12764.7 Ų64.759%0.59335%0.351SS*.Hα-helixtrans-61.1-48.6175.8-72.2164.4-161.100111.1S41 A47 A48 E49S41-E45 WeakPolarHBondContact O-CB 3.3Å; S41-E45 WeakPolarHBondContact O-CG 3.34Å; S41-E45 PolarHBondContact O-N 2.74Å; E45-A47 PolarHBondContact O-N 3.04Å; E45-A48 PolarHBondContact O-N 3.31Å; E45-E49 WeakPolarHBondContact O-CB 3.41Å; E45-E49 PolarHBondContact O-N 3.24Å
46A98.7Very high98.4Very high10 Ų1062.6 Ų62.68%0.08334%0.339CS..Hα-helixtrans-61.8-41.4177.900000112.5C42 A48 E49 R50 V106 M109C42-A46 WeakPolarHBondContact O-CB 3.29Å; C42-A46 PolarHBondContact O-N 3.47Å; A46-A48 VanDerWaalsContact C-N 3.34Å; A46-E49 PolarHBondContact O-N 3.03Å; A46-R50 VanDerWaalsContact O-CB 3.24Å; A46-R50 WeakPolarHBondContact O-CB 3.34Å; A46-R50 WeakPolarHBondContact O-CD 3.08Å; A46-R50 WeakPolarHBondContact O-CG 3.36Å; A46-R50 PolarHBondContact O-N 2.89Å; A46-V106 HydrophobicContact CB-CG2 3.73Å; A46-M109 HydrophobicContact CB-SD 4.34Å
47A98.7Very high98.5Very high2 Ų255.4 Ų55.42%0.01731%0.308CS..Hα-helixtrans-64.4-39176.100000112.4A43 V44 E45 R50 Q51 F52 L54 V106A43-A47 WeakPolarHBondContact O-CB 3.42Å; A43-A47 PolarHBondContact O-N 3.25Å; V44-A47 PolarHBondContact O-N 3.24Å; E45-A47 PolarHBondContact O-N 3.04Å; A47-R50 CarbonylContact O-C 3.54Å; A47-Q51 PolarHBondContact O-N 3.28Å; A47-F52 HydrophobicContact CB-CD2 4.08Å; A47-F52 HydrophobicContact CB-CE1 4.32Å; A47-F52 HydrophobicContact CB-CE2 3.61Å; A47-F52 HydrophobicContact CB-CZ 3.76Å; A47-F52 PolarHBondContact O-N 3.28Å; A47-L54 HydrophobicContact CB-CB 3.66Å; A47-L54 HydrophobicContact CB-CD2 4.01Å; A47-L54 HydrophobicContact CB-CG 4.43Å; A47-V106 HydrophobicContact CB-CG1 4.33Å
48A98.4Very high98.5Very high70 Ų7057.3 Ų57.358%0.57932%0.315SS*.Hα-helixtrans-66.2-46.2176.500000111.7V44 E45 A46 R50 Q51V44-A48 WeakPolarHBondContact O-CB 3.48Å; V44-A48 PolarHBondContact O-N 3.49Å; E45-A48 PolarHBondContact O-N 3.31Å; A46-A48 VanDerWaalsContact C-N 3.34Å; A48-R50 VanDerWaalsContact C-N 3.35Å; A48-R50 PolarHBondContact O-N 3.33Å; A48-Q51 PolarHBondContact O-N 3.46Å; A48-Q51 VanDerWaalsContact O-N 3.13Å
49E98.4Very high98.5Very high162 Ų16251.4 Ų51.476%0.75728%0.278SS*.Hα-helixtrans-60-44.4176-175.7-178.7-174.900111.5E45 A46 Q51E45-E49 WeakPolarHBondContact O-CB 3.41Å; E45-E49 PolarHBondContact O-N 3.24Å; A46-E49 PolarHBondContact O-N 3.03Å; E49-Q51 PolarHBondContact O-N 3.08Å
50R98.4Very high98.5Very high59 Ų5952.3 Ų52.322%0.22328%0.283CS..THydrogen-bonded Turntrans-82.35.4178.4-61.5163.5-176.2-155.9-5.6113A46 A47 A48 F52 R99 E102 E105A46-R50 VanDerWaalsContact O-CB 3.24Å; A46-R50 WeakPolarHBondContact O-CB 3.34Å; A46-R50 WeakPolarHBondContact O-CD 3.08Å; A46-R50 WeakPolarHBondContact O-CG 3.36Å; A46-R50 PolarHBondContact O-N 2.89Å; A47-R50 CarbonylContact O-C 3.54Å; A48-R50 VanDerWaalsContact C-N 3.35Å; A48-R50 PolarHBondContact O-N 3.33Å; R50-F52 HydrophobicContact CB-CD1 3.78Å; R50-F52 HydrophobicContact CB-CE1 3.61Å; R50-F52 PolarHBondContact O-N 3.02Å; R50-R99 PolarHBondContact O-NH1 3.43Å; R50-R99 PolarHBondContact O-NH2 3.41Å; R50-R99 VanDerWaalsContact O-NH2 3.12Å; R50-E102 PolarHBondContact NH1-O 3.44Å; R50-E105 IonicContact CZ-OE2 3.12Å; R50-E105 VanDerWaalsContact CZ-OE2 3.28Å; R50-E105 IonicContact NH1-OE2 3.01Å; R50-E105 PolarHBondContact NH1-OE2 2.95Å; R50-E105 IonicContact NH2-OE2 3.39Å; R50-E105 PolarHBondContact NH2-OE2 3.4Å
51Q98.2Very high98.5Very high143 Ų14351 Ų5167%0.66828%0.276SS*.THydrogen-bonded Turntrans57.340.9171-53.2-171.5-3400116.1A47 A48 E49A47-Q51 PolarHBondContact O-N 3.28Å; A48-Q51 PolarHBondContact O-N 3.46Å; A48-Q51 VanDerWaalsContact O-N 3.13Å; E49-Q51 PolarHBondContact O-N 3.08Å
52F98.7Very high98.5Very high5 Ų550.1 Ų50.12%0.02227%0.274CS..  trans-124.2156.7170.263.9-93.9000111.9A47 R50 I103 V106 D334 L336A47-F52 HydrophobicContact CB-CD2 4.08Å; A47-F52 HydrophobicContact CB-CE1 4.32Å; A47-F52 HydrophobicContact CB-CE2 3.61Å; A47-F52 HydrophobicContact CB-CZ 3.76Å; A47-F52 PolarHBondContact O-N 3.28Å; R50-F52 HydrophobicContact CB-CD1 3.78Å; R50-F52 HydrophobicContact CB-CE1 3.61Å; R50-F52 PolarHBondContact O-N 3.02Å; F52-I103 HydrophobicContact CD1-CG1 3.95Å; F52-I103 HydrophobicContact CD2-CG1 4.46Å; F52-I103 HydrophobicContact CE1-CG1 3.87Å; F52-I103 HydrophobicContact CE2-CG1 4.42Å; F52-I103 HydrophobicContact CE2-CG2 4.24Å; F52-I103 HydrophobicContact CG-CG1 4.23Å; F52-I103 HydrophobicContact CZ-CB 4.4Å; F52-I103 HydrophobicContact CZ-CG1 4.11Å; F52-I103 HydrophobicContact CZ-CG2 4.37Å; F52-V106 HydrophobicContact CE1-CG2 4.33Å; F52-V106 HydrophobicContact CE2-CB 4.42Å; F52-V106 HydrophobicContact CE2-CG1 4.26Å; F52-V106 HydrophobicContact CZ-CB 3.77Å; F52-V106 HydrophobicContact CZ-CG1 4Å; F52-V106 HydrophobicContact CZ-CG2 3.67Å; F52-D334 HydrophobicContact CB-CB 3.82Å; F52-L336 HydrophobicContact CD2-CB 4.25Å; F52-L336 HydrophobicContact CE2-CB 3.94Å; F52-L336 HydrophobicContact CE2-CD2 4.48Å
53E98.6Very high98.5Very high27 Ų2755.9 Ų55.913%0.12629%0.294CS..EExtended strand (participates in β ladder)trans-72.7132.8177.1-177-179.3-148.700110.6K55 L329 S330 D334 G335 L336E53-K55 HydrophobicContact CG-CD 4.35Å; E53-K55 HydrophobicContact CG-CG 4.26Å; E53-K55 WeakPolarHBondContact OE1-CD 3.47Å; E53-K55 WeakPolarHBondContact OE1-CE 3.3Å; E53-K55 IonicContact OE1-NZ 3.77Å; E53-K55 PolarHBondContact OE1-NZ 2.86Å; E53-L329 HydrophobicContact CG-CD2 4.38Å; E53-L329 WeakPolarHBondContact OE2-CA 3.16Å; E53-S330 WeakPolarHBondContact OE2-CB 3.26Å; E53-S330 PolarHBondContact OE2-N 2.65Å; E53-D334 PolarHBondContact N-O 3.34Å; E53-G335 CarbonylContact O-C 3.58Å; E53-G335 WeakPolarHBondContact O-CA 3.16Å; E53-L336 PolarHBondContact O-N 3.29Å
54L98.8Very high98.5Very high32 Ų3257.4 Ų57.417%0.16830%0.301CS..EExtended strand (participates in β ladder)trans-121121171.8177.663.6000109.5L39 A43 V44 A47 V106 L336 V338L39-L54 HydrophobicContact CD1-CD1 3.94Å; L39-L54 HydrophobicContact CD1-CD2 3.83Å; L39-L54 HydrophobicContact CD1-CG 3.53Å; A43-L54 HydrophobicContact CB-CD2 4.17Å; V44-L54 HydrophobicContact CG2-CD2 4.24Å; A47-L54 HydrophobicContact CB-CB 3.66Å; A47-L54 HydrophobicContact CB-CD2 4.01Å; A47-L54 HydrophobicContact CB-CG 4.43Å; L54-V106 HydrophobicContact CD1-CG1 4.4Å; L54-V106 HydrophobicContact CD2-CG1 3.97Å; L54-L336 WeakPolarHBondContact CA-O 3.38Å; L54-L336 HydrophobicContact CD1-CB 4.03Å; L54-L336 HydrophobicContact CD1-CD2 3.78Å; L54-L336 HydrophobicContact CD1-CG 3.86Å; L54-V338 HydrophobicContact CD1-CG2 4.01Å
55K98.7Very high98.5Very high44 Ų4463.5 Ų63.519%0.19133%0.325CS..EExtended strand (participates in β ladder)trans-128.9146.7177.2-81174.1165.1158.70111.2E53 Y57 G328 L329 L336 L337 V338E53-K55 HydrophobicContact CG-CD 4.35Å; E53-K55 HydrophobicContact CG-CG 4.26Å; E53-K55 WeakPolarHBondContact OE1-CD 3.47Å; E53-K55 WeakPolarHBondContact OE1-CE 3.3Å; E53-K55 IonicContact OE1-NZ 3.77Å; E53-K55 PolarHBondContact OE1-NZ 2.86Å; K55-Y57 HydrophobicContact CB-CE2 3.89Å; K55-Y57 HydrophobicContact CD-CE2 4.39Å; K55-G328 PolarHBondContact NZ-O 2.89Å; K55-G328 VanDerWaalsContact NZ-O 3.11Å; K55-L329 HydrophobicContact CB-CD2 4.01Å; K55-L329 HydrophobicContact CD-CD2 3.82Å; K55-L329 HydrophobicContact CG-CD2 4.3Å; K55-L336 PolarHBondContact N-O 2.99Å; K55-L336 VanDerWaalsContact N-O 3.07Å; K55-L337 HydrophobicContact CB-CD1 3.96Å; K55-V338 PolarHBondContact O-N 2.82Å
56G98.7Very high98.4Very high8 Ų864.8 Ų64.88%0.08234%0.335CS..EExtended strand (participates in β ladder)trans-132.3128.2-175.500000112.2K36 L37 V338K36-G56 WeakPolarHBondContact CA-O 3.3Å; L37-G56 PolarHBondContact N-O 3.01Å; G56-V338 CarbonylContact C-O 3.57Å; G56-V338 VanDerWaalsContact CA-O 3.23Å; G56-V338 WeakPolarHBondContact CA-O 3.4Å
57Y98.8Very high98.4Very high19 Ų1969.7 Ų69.78%0.07535%0.351CS..EExtended strand (participates in β ladder)trans-138.9169.9175.2-57.4-83.8000112.3P35 K36 K55 T326 P327 L337 V338 V339 E340P35-Y57 CarbonylContact O-C 3.52Å; P35-Y57 WeakPolarHBondContact O-CA 3.44Å; K36-Y57 HydrophobicContact CG-CD1 4.45Å; K36-Y57 HydrophobicContact CG-CE1 4.23Å; K55-Y57 HydrophobicContact CB-CE2 3.89Å; K55-Y57 HydrophobicContact CD-CE2 4.39Å; Y57-T326 HydrophobicContact CD2-CG2 3.98Å; Y57-T326 HydrophobicContact CG-CG2 4.02Å; Y57-P327 HydrophobicContact CE1-CG 3.88Å; Y57-P327 HydrophobicContact CE2-CG 4.49Å; Y57-P327 WeakPolarHBondContact OH-CG 3.4Å; Y57-L337 HydrophobicContact CD2-CD1 3.61Å; Y57-L337 HydrophobicContact CE2-CD1 3.7Å; Y57-V338 PolarHBondContact N-O 2.89Å; Y57-V339 VanDerWaalsContact O-CA 3.32Å; Y57-V339 WeakPolarHBondContact O-CA 3.5Å; Y57-E340 PolarHBondContact O-N 3.33Å
58K98.4Very high98.4Very high62 Ų6274.3 Ų74.327%0.2738%0.381SS..EExtended strand (participates in β ladder)trans-138.4150.6175.259.9173.4-179.3162.60113.8P35 D60 E340P35-K58 HydrophobicContact CB-CD 4.32Å; P35-K58 HydrophobicContact CB-CG 3.94Å; P35-K58 WeakPolarHBondContact CD-O 3.44Å; P35-K58 HydrophobicContact CG-CG 4.2Å; P35-K58 PolarHBondContact O-N 2.66Å; K58-D60 IonicContact NZ-OD2 3.57Å; K58-E340 CarbonylContact C-O 3.55Å; K58-E340 VanDerWaalsContact CA-O 3.23Å; K58-E340 WeakPolarHBondContact CA-O 3.49Å; K58-E340 HydrophobicContact CB-CB 4.17Å
59F98.6Very high98.4Very high9 Ų974.4 Ų74.44%0.03938%0.376CS..EExtended strand (participates in β ladder)trans-121.5112.3169.1-67.5-102000108.6T34 F281 V318 S324 T326 V339 E340 L341 D342T34-F59 HydrophobicContact CG2-CD1 4.24Å; T34-F59 HydrophobicContact CG2-CE1 3.63Å; T34-F59 HydrophobicContact CG2-CE2 4.09Å; T34-F59 HydrophobicContact CG2-CZ 3.55Å; F59-F281 HydrophobicContact CB-CE1 3.76Å; F59-F281 HydrophobicContact CB-CZ 4.05Å; F59-F281 AromaticContact CD1-CE1 3.97Å; F59-F281 HydrophobicContact CD1-CE1 3.97Å; F59-F281 HydrophobicContact CD2-CE1 4.26Å; F59-F281 AromaticContact CG-CE1 3.76Å; F59-F281 HydrophobicContact CG-CE1 3.76Å; F59-V318 HydrophobicContact CE2-CB 4.36Å; F59-V318 HydrophobicContact CE2-CG1 4.09Å; F59-V318 HydrophobicContact CZ-CG1 4.46Å; F59-S324 WeakPolarHBondContact CD1-OG 3.41Å; F59-S324 WeakPolarHBondContact CE1-OG 3.26Å; F59-T326 HydrophobicContact CE2-CG2 3.56Å; F59-T326 HydrophobicContact CZ-CG2 3.86Å; F59-V339 HydrophobicContact CD2-CG1 3.56Å; F59-V339 HydrophobicContact CE2-CG1 3.59Å; F59-E340 PolarHBondContact N-O 2.93Å; F59-L341 HydrophobicContact CB-CD2 4.26Å; F59-L341 HydrophobicContact CD2-CD2 3.51Å; F59-L341 HydrophobicContact CE2-CD2 4.16Å; F59-L341 HydrophobicContact CG-CD2 4.18Å; F59-D342 PolarHBondContact O-N 3Å
60D97.6Very high98.4Very high46 Ų4671.2 Ų71.225%0.24636%0.357CS..PPolyproline II helixtrans-94.1145179.5-67-60.3000110.7K58 R71K58-D60 IonicContact NZ-OD2 3.57Å; D60-R71 IonicContact OD1-NH2 2.83Å
61A97.9Very high98.4Very high21 Ų2174.9 Ų74.917%0.17437%0.371CS..PPolyproline II helixtrans-102.8161.3168.500000110.8D342 N344 L345A61-D342 HydrophobicContact CB-CB 3.78Å; A61-N344 HydrophobicContact CB-CB 4.18Å; A61-L345 HydrophobicContact CB-CB 4.02Å
62A98.2Very high98.4Very high64 Ų6468.2 Ų68.253%0.52934%0.34SS..PPolyproline II helixtrans-66.3148.7169.800000110.2E64 Q348A62-E64 PolarHBondContact O-N 3.27Å; A62-Q348 PolarHBondContact O-NE2 2.81Å
63Q98.4Very high98.4Very high186 Ų18671 Ų7187%0.86935%0.35SS*.PPolyproline II helixtrans-65.8132.3176-174.5177.45.800110.5
64E98.3Very high98.4Very high33 Ų3369.8 Ų69.815%0.15434%0.344CS..PPolyproline II helixtrans-100.8146.3172.9-66.4-173.5-162.700111A62 R67 R347 Q348A62-E64 PolarHBondContact O-N 3.27Å; E64-R67 HydrophobicContact CB-CB 4.28Å; E64-R67 WeakPolarHBondContact OE2-CD 3.3Å; E64-R67 IonicContact OE2-CZ 3.86Å; E64-R67 IonicContact OE2-NH1 2.87Å; E64-R67 PolarHBondContact OE2-NH1 3.14Å; E64-R347 IonicContact OE1-CZ 3.46Å; E64-R347 IonicContact OE1-NE 3.39Å; E64-R347 PolarHBondContact OE1-NE 2.75Å; E64-R347 IonicContact OE1-NH2 3.8Å; E64-R347 PolarHBondContact OE1-NH2 3.08Å; E64-R347 IonicContact OE2-CZ 3.42Å; E64-R347 IonicContact OE2-NE 3.56Å; E64-R347 IonicContact OE2-NH2 2.93Å; E64-R347 PolarHBondContact OE2-NH2 3.09Å; E64-Q348 PolarHBondContact OE1-NE2 3.35Å; E64-Q348 VanDerWaalsContact OE1-NE2 3.07Å
65Q98.4Very high98.4Very high204 Ų20468.2 Ų68.295%0.95334%0.336SS*.SBendtrans-76.4-32.8178.3-65.2177-5.700112.5
66L98.4Very high98.5Very high155 Ų15566.1 Ų66.181%0.81233%0.327SS*.SBendtrans-99-13.9-174.2-64.3179.3000113.8
67R97.8Very high98.5Very high112 Ų11265.8 Ų65.842%0.42332%0.323SS..SBendtrans-135.2132.9-171.8-57.6-174.1-168.384.51.6110.5E64 R347E64-R67 HydrophobicContact CB-CB 4.28Å; E64-R67 WeakPolarHBondContact OE2-CD 3.3Å; E64-R67 IonicContact OE2-CZ 3.86Å; E64-R67 IonicContact OE2-NH1 2.87Å; E64-R67 PolarHBondContact OE2-NH1 3.14Å; R67-R347 VanDerWaalsContact CD-CZ 3.45Å
68P98.1Very high98.5Very high99 Ų9964.9 Ų64.964%0.64332%0.32SS*.  trans-67.6157.2171.130.3-34.6000110.6R70 N344P68-R70 PolarHBondContact O-N 2.92Å; P68-N344 PolarHBondContact O-ND2 3.4Å
69P98.4Very high98.5Very high72 Ų7261.9 Ų61.947%0.46831%0.307SS..  trans-51.5136.4167.2-27.436.5000111.7R71 D342P69-R71 HydrophobicContact CB-CG 4.26Å; P69-D342 WeakPolarHBondContact CB-OD2 3.46Å
70R98.4Very high98.5Very high95 Ų9567.5 Ų67.536%0.35833%0.328SS..  trans-10972.5177-73.5-179.363.9-150.6-5.8109.2P68 E250 D342 L343P68-R70 PolarHBondContact O-N 2.92Å; R70-E250 IonicContact CZ-OE1 2.79Å; R70-E250 VanDerWaalsContact CZ-OE1 3.23Å; R70-E250 IonicContact CZ-OE2 3.38Å; R70-E250 IonicContact NH1-OE1 2.88Å; R70-E250 PolarHBondContact NH1-OE1 3.47Å; R70-E250 IonicContact NH2-OE1 3.45Å; R70-E250 PolarHBondContact NH2-OE1 3.41Å; R70-E250 IonicContact NH2-OE2 2.68Å; R70-E250 PolarHBondContact NH2-OE2 2.91Å; R70-D342 PolarHBondContact N-OD1 3.32Å; R70-L343 HydrophobicContact CB-CB 4.04Å; R70-L343 PolarHBondContact O-N 3.4Å
71R98.6Very high98.5Very high137 Ų13766.7 Ų66.752%0.51732%0.323SS..EExtended strand (participates in β ladder)trans-78.5130.9-177-65.2-178.7-177.1-131.7-2.8111.4D60 P69 E340 L341D60-R71 IonicContact OD1-NH2 2.83Å; P69-R71 HydrophobicContact CB-CG 4.26Å; R71-E340 IonicContact CZ-OE1 2.7Å; R71-E340 IonicContact NH1-OE1 3.75Å; R71-E340 PolarHBondContact NH1-OE1 3.27Å; R71-L341 CarbonylContact C-O 3.53Å; R71-L341 VanDerWaalsContact CA-O 3.28Å; R71-L341 WeakPolarHBondContact CA-O 3.35Å
72V98.8Very high98.5Very high2 Ų269.1 Ų69.11%0.01234%0.336CS..EExtended strand (participates in β ladder)trans-136.1139.3174.761.20000109.3N113 V114 F224 I251 E340 L341 L343V72-N113 HydrophobicContact CG2-CB 3.96Å; V72-V114 HydrophobicContact CG2-CG2 4.23Å; V72-F224 HydrophobicContact CG2-CB 3.84Å; V72-I251 HydrophobicContact CG1-CD1 3.99Å; V72-E340 CarbonylContact O-C 3.55Å; V72-E340 WeakPolarHBondContact O-CA 3.46Å; V72-L341 HydrophobicContact CG1-CB 3.95Å; V72-L341 HydrophobicContact CG1-CD1 4.44Å; V72-L341 PolarHBondContact N-O 2.99Å; V72-L341 PolarHBondContact O-N 3.37Å; V72-L343 HydrophobicContact CG1-CD1 4.05Å; V72-L343 HydrophobicContact CG1-CD2 3.75Å; V72-L343 HydrophobicContact CG1-CG 3.77Å
73R98.9Very high98.5Very high65 Ų6569 Ų6925%0.24533%0.326CS..EExtended strand (participates in β ladder)trans-101122.9171-71.6-178-177.9174.75.3110.3C110 G111 N113 V114 V339 E340R73-C110 WeakPolarHBondContact CD-O 3.37Å; R73-C110 PolarHBondContact NH1-O 2.78Å; R73-G111 WeakPolarHBondContact CB-O 3.42Å; R73-G111 WeakPolarHBondContact CD-O 3.45Å; R73-N113 PolarHBondContact N-OD1 3.45Å; R73-N113 PolarHBondContact O-N 2.86Å; R73-V114 PolarHBondContact O-N 3.43Å; R73-V339 WeakPolarHBondContact CA-O 3.35Å; R73-E340 HydrophobicContact CG-CB 3.98Å; R73-E340 HydrophobicContact CG-CG 4.11Å; R73-E340 IonicContact CZ-OE2 3.4Å; R73-E340 VanDerWaalsContact CZ-OE2 3.31Å; R73-E340 IonicContact NE-OE2 3.75Å; R73-E340 PolarHBondContact NE-OE2 3.46Å; R73-E340 IonicContact NH2-OE2 2.69Å; R73-E340 PolarHBondContact NH2-OE2 3.34Å
74V98.9Very high98.5Very high0 Ų064 Ų640%031%0.31CS..EExtended strand (participates in β ladder)trans-101.9144.8172.4-58.80000110.5L76 V114 I251 F253 V318 V338 V339 L341V74-L76 HydrophobicContact CB-CD1 4.32Å; V74-L76 HydrophobicContact CG2-CD1 3.96Å; V74-V114 CarbonylContact C-O 3.59Å; V74-V114 VanDerWaalsContact CA-O 3.25Å; V74-V114 WeakPolarHBondContact CA-O 3.28Å; V74-V114 HydrophobicContact CG1-CB 4.37Å; V74-I251 HydrophobicContact CG1-CD1 3.93Å; V74-F253 HydrophobicContact CB-CE1 4.41Å; V74-F253 HydrophobicContact CB-CZ 4.32Å; V74-F253 HydrophobicContact CG1-CZ 4Å; V74-V318 HydrophobicContact CG2-CG2 4.41Å; V74-V338 WeakPolarHBondContact O-CA 3.36Å; V74-V339 HydrophobicContact CG2-CB 3.98Å; V74-V339 PolarHBondContact N-O 3.41Å; V74-V339 PolarHBondContact O-N 3.08Å; V74-L341 HydrophobicContact CG1-CD1 3.92Å; V74-L341 HydrophobicContact CG2-CD1 3.97Å; V74-L341 HydrophobicContact CG2-CG 4.38Å
75G98.9Very high98.5Very high0 Ų063 Ų630%031%0.306CS..EExtended strand (participates in β ladder)trans-117.7122.8172.900000110.2V114 I115 C116 L337G75-V114 PolarHBondContact N-O 3.27Å; G75-I115 WeakPolarHBondContact O-CA 3.21Å; G75-C116 PolarHBondContact O-N 3.38Å; G75-L337 WeakPolarHBondContact CA-O 3.45Å
76L98.9Very high98.5Very high0 Ų058.9 Ų58.90%029%0.29CS..EExtended strand (participates in β ladder)trans-107.9123.5174-77.259.3000108.2V74 F253 C283 I285 V318 L336 L337V74-L76 HydrophobicContact CB-CD1 4.32Å; V74-L76 HydrophobicContact CG2-CD1 3.96Å; L76-F253 HydrophobicContact CD1-CE1 4.21Å; L76-C283 HydrophobicContact CD1-CB 3.95Å; L76-C283 HydrophobicContact CD2-CB 3.9Å; L76-C283 HydrophobicContact CG-CB 4.16Å; L76-I285 HydrophobicContact CB-CD1 4.02Å; L76-I285 HydrophobicContact CB-CG1 3.92Å; L76-I285 HydrophobicContact CD2-CD1 4.45Å; L76-I285 HydrophobicContact CD2-CG1 3.77Å; L76-I285 HydrophobicContact CG-CD1 3.75Å; L76-I285 HydrophobicContact CG-CG1 3.6Å; L76-V318 HydrophobicContact CD1-CG2 4.05Å; L76-V318 HydrophobicContact CD2-CG2 3.85Å; L76-L336 WeakPolarHBondContact O-CA 3.24Å; L76-L337 HydrophobicContact CB-CB 4.25Å; L76-L337 HydrophobicContact CD2-CD2 4.35Å; L76-L337 PolarHBondContact N-O 2.82Å; L76-L337 PolarHBondContact O-N 3.06Å
77V98.9Very high98.5Very high0 Ų052.7 Ų52.70%026%0.261CS..EExtended strand (participates in β ladder)trans-107.8121.4-179.9-177.30000110I103 I115 C116 F117 I285 L336V77-I103 HydrophobicContact CG1-CB 4.42Å; V77-I103 HydrophobicContact CG1-CD1 3.88Å; V77-I103 HydrophobicContact CG1-CG2 3.95Å; V77-I103 HydrophobicContact CG2-CG2 3.84Å; V77-I115 HydrophobicContact CG2-CD1 3.75Å; V77-I115 HydrophobicContact CG2-CG1 3.88Å; V77-C116 PolarHBondContact N-O 3.3Å; V77-C116 VanDerWaalsContact N-O 3.08Å; V77-F117 HydrophobicContact CB-CD1 4.02Å; V77-F117 HydrophobicContact CG2-CD1 4.01Å; V77-F117 HydrophobicContact CG2-CE1 4.23Å; V77-I285 WeakPolarHBondContact O-CG2 3.38Å; V77-L336 HydrophobicContact CG2-CD1 4.11Å
78Q98.9Very high98.5Very high0 Ų051.3 Ų51.30%027%0.267CS..EExtended strand (participates in β ladder)trans-112.9140.7165.565.3178.547.800109.9N286 V288 S316 L329 S330 R333 D334 G335Q78-N286 WeakPolarHBondContact CB-O 3.09Å; Q78-V288 HydrophobicContact CG-CG1 4.31Å; Q78-V288 VanDerWaalsContact NE2-CG1 3.33Å; Q78-S316 VanDerWaalsContact OE1-CB 3.24Å; Q78-S316 PolarHBondContact OE1-OG 3.41Å; Q78-L329 HydrophobicContact CG-CD1 3.74Å; Q78-S330 PolarHBondContact NE2-O 3.43Å; Q78-R333 PolarHBondContact NE2-O 2.93Å; Q78-D334 CarbonylContact O-C 3.53Å; Q78-D334 WeakPolarHBondContact O-CA 3.46Å; Q78-G335 PolarHBondContact N-O 3.2Å; Q78-G335 PolarHBondContact O-N 3.19Å
79H98.7Very high98.5Very high0 Ų047.9 Ų47.90%024%0.243CC..  trans-155.4160.7178.766.778.8000111.8M96 Q118 W121 V288 D334H79-M96 WeakPolarHBondContact CE1-CE 3.45Å; H79-M96 WeakPolarHBondContact ND1-CE 3.41Å; H79-Q118 PolarHBondContact CE1-NE2 2.78Å; H79-Q118 VanDerWaalsContact CE1-NE2 3.25Å; H79-Q118 PolarHBondContact NE2-NE2 3.45Å; H79-Q118 PolarHBondContact O-NE2 3.06Å; H79-Q118 PolarHBondContact O-OE1 3.47Å; H79-Q118 VanDerWaalsContact O-OE1 3.09Å; H79-W121 PolarHBondContact CE1-O 3.47Å; H79-V288 PolarHBondContact O-N 2.91Å; H79-D334 VanDerWaalsContact CA-OD1 3.26Å; H79-D334 WeakPolarHBondContact CA-OD1 3.43Å; H79-D334 HydrophobicContact CB-CB 4.43Å
80R98.2Very high98.5Very high127 Ų12750.6 Ų50.648%0.47925%0.253SS..  trans-86.7167.8165.662.9-170148.2175.6-1.5111V288 D334R80-V288 VanDerWaalsContact CA-O 3.31Å; R80-V288 WeakPolarHBondContact CA-O 3.09Å; R80-V288 HydrophobicContact CB-CG2 4.37Å; R80-V288 WeakPolarHBondContact CB-O 3.47Å; R80-D334 WeakPolarHBondContact CG-OD1 3.43Å; R80-D334 PolarHBondContact N-OD1 3.38Å; R80-D334 IonicContact NE-OD1 2.74Å
81I98.4Very high98.5Very high28 Ų2850.2 Ų50.214%0.14426%0.258CS..  trans-66.3151.3164.860.6173.2000110.5T85 P124 E291I81-T85 HydrophobicContact CD1-CG2 3.67Å; I81-P124 HydrophobicContact CD1-CB 4.38Å; I81-P124 HydrophobicContact CD1-CG 4.28Å; I81-P124 HydrophobicContact CG2-CB 4.37Å; I81-P124 HydrophobicContact CG2-CG 4.28Å; I81-E291 HydrophobicContact CD1-CB 4.25Å; I81-E291 HydrophobicContact CD1-CG 3.81Å; I81-E291 HydrophobicContact CG1-CG 4.12Å; I81-E291 WeakPolarHBondContact CG2-OE1 3.25Å
82V98.4Very high98.5Very high73 Ų7344.1 Ų44.144%0.44224%0.235SC..SBendtrans-93-49.9-175-179.50000112.1A95 M96 R99V82-A95 HydrophobicContact CB-CB 3.9Å; V82-A95 HydrophobicContact CG1-CB 3.9Å; V82-M96 HydrophobicContact CG2-SD 3.92Å; V82-R99 HydrophobicContact CG2-CB 3.76Å; V82-R99 HydrophobicContact CG2-CG 4.02Å
83L98.6Very high98.5Very high61 Ų6144.3 Ų44.332%0.31924%0.236SC..SBendtrans-99.6158-179.1-62.8-178.1000111A87 D91 Q92 A95L83-A87 HydrophobicContact CB-CB 4.12Å; L83-A87 HydrophobicContact CD1-CB 4.41Å; L83-D91 HydrophobicContact CD1-CB 3.9Å; L83-D91 WeakPolarHBondContact CD1-O 3.33Å; L83-Q92 HydrophobicContact CB-CG 4.28Å; L83-A95 HydrophobicContact CD1-CB 3.9Å; L83-A95 HydrophobicContact CG-CB 3.82Å
84P98.1Very high98.5Very high82 Ų8243 Ų4353%0.53224%0.243SC..  trans-53.9149.8170.2-26.436.6000112.3D86 A87P84-D86 WeakPolarHBondContact CB-OD1 3.36Å; P84-D86 PolarHBondContact O-N 2.92Å; P84-D86 VanDerWaalsContact O-N 3.16Å; P84-A87 WeakPolarHBondContact O-CB 3.29Å; P84-A87 PolarHBondContact O-N 2.97Å; P84-A87 VanDerWaalsContact O-N 3.12Å
85T98.3Very high98.5Very high12 Ų1244 Ų447%0.07425%0.251CS..THydrogen-bonded Turntrans-67.6-16.3-175.564.50000113.2I81 Q92 P124 W135 H292 F293I81-T85 HydrophobicContact CD1-CG2 3.67Å; T85-Q92 PolarHBondContact O-NE2 3.46Å; T85-P124 HydrophobicContact CG2-CB 3.88Å; T85-P124 HydrophobicContact CG2-CG 3.91Å; T85-W135 VanDerWaalsContact O-CH2 3.32Å; T85-W135 WeakPolarHBondContact O-CH2 3.26Å; T85-H292 WeakPolarHBondContact CB-O 3.48Å; T85-H292 WeakPolarHBondContact CG2-O 3.39Å; T85-H292 PolarHBondContact OG1-O 3.3Å; T85-F293 HydrophobicContact CG2-CD1 4.09Å; T85-F293 HydrophobicContact CG2-CE1 3.86Å; T85-F293 HydrophobicContact CG2-CZ 4.31Å
86D97.1Very high98.5Very high117 Ų11744.1 Ų44.163%0.62625%0.252SS*.THydrogen-bonded Turntrans-94.11.4177.167.5-18.6000114.2P84P84-D86 WeakPolarHBondContact CB-OD1 3.36Å; P84-D86 PolarHBondContact O-N 2.92Å; P84-D86 VanDerWaalsContact O-N 3.16Å
87A98.4Very high98.5Very high24 Ų2444.9 Ų44.920%0.19826%0.255CS..SBendtrans-67.9159.517000000111.4L83 P84 I89 Q92L83-A87 HydrophobicContact CB-CB 4.12Å; L83-A87 HydrophobicContact CD1-CB 4.41Å; P84-A87 WeakPolarHBondContact O-CB 3.29Å; P84-A87 PolarHBondContact O-N 2.97Å; P84-A87 VanDerWaalsContact O-N 3.12Å; A87-I89 PolarHBondContact O-N 2.95Å; A87-Q92 HydrophobicContact CB-CG 3.96Å; A87-Q92 PolarHBondContact O-NE2 2.85Å
88P98.5Very high98.5Very high83 Ų8348.4 Ų48.454%0.53928%0.28SS..  trans-55.6137.1174.1-25.135.4000112.3L90 D91 Q92P88-L90 VanDerWaalsContact C-N 3.29Å; P88-L90 PolarHBondContact O-N 3.28Å; P88-D91 HydrophobicContact CB-CB 4.41Å; P88-D91 WeakPolarHBondContact CG-OD2 3.42Å; P88-D91 WeakPolarHBondContact O-CB 3.34Å; P88-D91 PolarHBondContact O-N 3.46Å; P88-Q92 PolarHBondContact O-N 3.44Å
89I98.3Very high98.5Very high28 Ų2850 Ų5014%0.14429%0.286CS..Hα-helixtrans-56-43.6-175-71.1-176.3000112.1A87 D91 Q92 V93 P134 E137 F138A87-I89 PolarHBondContact O-N 2.95Å; I89-D91 VanDerWaalsContact C-N 3.29Å; I89-D91 PolarHBondContact O-N 2.89Å; I89-Q92 WeakPolarHBondContact O-CB 3.36Å; I89-Q92 PolarHBondContact O-N 3.14Å; I89-V93 HydrophobicContact CG2-CG2 4.39Å; I89-V93 WeakPolarHBondContact O-CG2 3.15Å; I89-V93 PolarHBondContact O-N 3.22Å; I89-P134 HydrophobicContact CD1-CB 3.65Å; I89-P134 HydrophobicContact CD1-CG 4.11Å; I89-P134 WeakPolarHBondContact CD1-O 3.38Å; I89-E137 HydrophobicContact CD1-CB 3.75Å; I89-F138 HydrophobicContact CB-CE2 4.25Å; I89-F138 HydrophobicContact CB-CZ 4.19Å; I89-F138 HydrophobicContact CD1-CD2 3.72Å; I89-F138 HydrophobicContact CD1-CE2 3.63Å; I89-F138 HydrophobicContact CD1-CZ 4.41Å; I89-F138 HydrophobicContact CG1-CD2 4.06Å; I89-F138 HydrophobicContact CG1-CE2 3.51Å; I89-F138 HydrophobicContact CG1-CZ 3.84Å; I89-F138 HydrophobicContact CG2-CD1 3.82Å; I89-F138 HydrophobicContact CG2-CD2 4Å; I89-F138 HydrophobicContact CG2-CE1 3.81Å; I89-F138 HydrophobicContact CG2-CE2 3.98Å; I89-F138 HydrophobicContact CG2-CG 3.93Å; I89-F138 HydrophobicContact CG2-CZ 3.89Å
90L98.2Very high98.5Very high129 Ų12950 Ų5068%0.67529%0.286SS*.Hα-helixtrans-60.1-39.9179-177.161.5000112.1P88 V93 G94P88-L90 VanDerWaalsContact C-N 3.29Å; P88-L90 PolarHBondContact O-N 3.28Å; L90-V93 PolarHBondContact O-N 3.12Å; L90-G94 PolarHBondContact O-N 3.03Å
91D98.7Very high98.5Very high87 Ų8744.3 Ų44.347%0.46527%0.267SS..Hα-helixtrans-69.3-39.4177.8-62.4-21.7000110.8L83 P88 I89 G94 A95L83-D91 HydrophobicContact CD1-CB 3.9Å; L83-D91 WeakPolarHBondContact CD1-O 3.33Å; P88-D91 HydrophobicContact CB-CB 4.41Å; P88-D91 WeakPolarHBondContact CG-OD2 3.42Å; P88-D91 WeakPolarHBondContact O-CB 3.34Å; P88-D91 PolarHBondContact O-N 3.46Å; I89-D91 VanDerWaalsContact C-N 3.29Å; I89-D91 PolarHBondContact O-N 2.89Å; D91-G94 PolarHBondContact O-N 3.05Å; D91-A95 VanDerWaalsContact O-CB 3.25Å; D91-A95 WeakPolarHBondContact O-CB 3.19Å; D91-A95 PolarHBondContact O-N 3.03Å
92Q98.8Very high98.5Very high8 Ų846.1 Ų46.14%0.03728%0.275CS..Hα-helixtrans-60.5-47.8174.7-64.8-171.552.300111.3L83 T85 A87 P88 I89 A95 M96 F138L83-Q92 HydrophobicContact CB-CG 4.28Å; T85-Q92 PolarHBondContact O-NE2 3.46Å; A87-Q92 HydrophobicContact CB-CG 3.96Å; A87-Q92 PolarHBondContact O-NE2 2.85Å; P88-Q92 PolarHBondContact O-N 3.44Å; I89-Q92 WeakPolarHBondContact O-CB 3.36Å; I89-Q92 PolarHBondContact O-N 3.14Å; Q92-A95 PolarHBondContact O-N 2.78Å; Q92-M96 WeakPolarHBondContact O-CB 3.4Å; Q92-M96 WeakPolarHBondContact O-CG 3.43Å; Q92-M96 PolarHBondContact O-N 3.38Å; Q92-F138 HydrophobicContact CB-CE1 4.25Å; Q92-F138 HydrophobicContact CB-CZ 4.21Å
93V98.7Very high98.6Very high6 Ų642.7 Ų42.74%0.03625%0.254CS..Hα-helixtrans-63.6-44.9177.4174.80000111I89 L90 A95 M96 H97 F138I89-V93 HydrophobicContact CG2-CG2 4.39Å; I89-V93 WeakPolarHBondContact O-CG2 3.15Å; I89-V93 PolarHBondContact O-N 3.22Å; L90-V93 PolarHBondContact O-N 3.12Å; V93-A95 PolarHBondContact O-N 3.26Å; V93-M96 WeakPolarHBondContact O-CB 3.34Å; V93-M96 PolarHBondContact O-N 3.3Å; V93-H97 WeakPolarHBondContact CG1-NE2 3.42Å; V93-H97 PolarHBondContact O-CD2 2.57Å; V93-H97 PolarHBondContact O-N 3.18Å; V93-F138 HydrophobicContact CG2-CD1 3.74Å; V93-F138 HydrophobicContact CG2-CE1 3.78Å
94G98.8Very high98.6Very high37 Ų3739.8 Ų39.838%0.38124%0.239SC..Hα-helixtrans-62.5-42.8178.300000112.9L90 D91 M96 H97 S98L90-G94 PolarHBondContact O-N 3.03Å; D91-G94 PolarHBondContact O-N 3.05Å; G94-M96 VanDerWaalsContact C-N 3.29Å; G94-M96 PolarHBondContact O-N 2.83Å; G94-H97 PolarHBondContact O-N 3.45Å; G94-S98 PolarHBondContact O-N 2.8Å
95A98.8Very high98.6Very high21 Ų2138.7 Ų38.717%0.17423%0.227CC..Hα-helixtrans-62.5-38.6174.200000111.5V82 L83 D91 Q92 V93 R99V82-A95 HydrophobicContact CB-CB 3.9Å; V82-A95 HydrophobicContact CG1-CB 3.9Å; L83-A95 HydrophobicContact CD1-CB 3.9Å; L83-A95 HydrophobicContact CG-CB 3.82Å; D91-A95 VanDerWaalsContact O-CB 3.25Å; D91-A95 WeakPolarHBondContact O-CB 3.19Å; D91-A95 PolarHBondContact O-N 3.03Å; Q92-A95 PolarHBondContact O-N 2.78Å; V93-A95 PolarHBondContact O-N 3.26Å; A95-R99 WeakPolarHBondContact O-CB 3.5Å; A95-R99 PolarHBondContact O-N 2.77Å
96M98.6Very high98.6Very high4 Ų438.1 Ų38.12%0.0222%0.223CC..Hα-helixtrans-65.3-46174.7-80.4-50.7-3700112.9H79 V82 Q92 V93 G94 S98 R99 V100 W121H79-M96 WeakPolarHBondContact CE1-CE 3.45Å; H79-M96 WeakPolarHBondContact ND1-CE 3.41Å; V82-M96 HydrophobicContact CG2-SD 3.92Å; Q92-M96 WeakPolarHBondContact O-CB 3.4Å; Q92-M96 WeakPolarHBondContact O-CG 3.43Å; Q92-M96 PolarHBondContact O-N 3.38Å; V93-M96 WeakPolarHBondContact O-CB 3.34Å; V93-M96 PolarHBondContact O-N 3.3Å; G94-M96 VanDerWaalsContact C-N 3.29Å; G94-M96 PolarHBondContact O-N 2.83Å; M96-S98 VanDerWaalsContact C-N 3.34Å; M96-S98 PolarHBondContact O-N 3.3Å; M96-R99 PolarHBondContact O-N 3.11Å; M96-V100 HydrophobicContact CE-CG2 3.79Å; M96-V100 PolarHBondContact O-N 3.26Å; M96-W121 HydrophobicContact CB-CZ3 4.29Å; M96-W121 HydrophobicContact CE-CE3 4.11Å; M96-W121 HydrophobicContact CE-CZ3 4.5Å
97H98.9Very high98.7Very high15 Ų1532.6 Ų32.67%0.06919%0.194CC..Hα-helixtrans-58.5-46.4175.7-73-171.9000111.1V93 G94 G101 W121 T147 F150V93-H97 WeakPolarHBondContact CG1-NE2 3.42Å; V93-H97 PolarHBondContact O-CD2 2.57Å; V93-H97 PolarHBondContact O-N 3.18Å; G94-H97 PolarHBondContact O-N 3.45Å; H97-G101 PolarHBondContact O-N 2.65Å; H97-W121 AromaticContact CD2-CH2 3.39Å; H97-W121 WeakPolarHBondContact CD2-CH2 3.45Å; H97-W121 AromaticContact CD2-CZ3 3.85Å; H97-T147 PolarHBondContact CE1-OG1 3.33Å; H97-T147 PolarHBondContact NE2-OG1 2.81Å; H97-F150 HydrophobicContact CB-CD1 4.32Å; H97-F150 HydrophobicContact CB-CD2 4.32Å; H97-F150 HydrophobicContact CB-CE1 4.12Å; H97-F150 HydrophobicContact CB-CE2 4.12Å; H97-F150 HydrophobicContact CB-CG 4.42Å; H97-F150 HydrophobicContact CB-CZ 4Å; H97-F150 AromaticContact CG-CD1 4Å; H97-F150 AromaticContact ND1-CG 3.89Å; H97-F150 WeakPolarHBondContact O-CZ 3.43Å
98S98.8Very high98.8Very high74 Ų7432.6 Ų32.652%0.51719%0.194SC..Hα-helixtrans-57.9-51.6176.8-168.80000111.3G94 M96 V100 G101 E102G94-S98 PolarHBondContact O-N 2.8Å; M96-S98 VanDerWaalsContact C-N 3.34Å; M96-S98 PolarHBondContact O-N 3.3Å; S98-V100 PolarHBondContact O-N 2.98Å; S98-G101 PolarHBondContact O-N 3.44Å; S98-E102 PolarHBondContact O-N 3.47Å; S98-E102 VanDerWaalsContact O-N 3.08Å
99R98.8Very high98.8Very high33 Ų3332.5 Ų32.513%0.12519%0.187CC..Hα-helixtrans-62-45.1-178.2-179.654.8176.2171.3-3.6112.9R50 V82 A95 M96 E102 I103 D334R50-R99 PolarHBondContact O-NH1 3.43Å; R50-R99 PolarHBondContact O-NH2 3.41Å; R50-R99 VanDerWaalsContact O-NH2 3.12Å; V82-R99 HydrophobicContact CG2-CB 3.76Å; V82-R99 HydrophobicContact CG2-CG 4.02Å; A95-R99 WeakPolarHBondContact O-CB 3.5Å; A95-R99 PolarHBondContact O-N 2.77Å; M96-R99 PolarHBondContact O-N 3.11Å; R99-E102 IonicContact NH1-OE2 2.72Å; R99-E102 PolarHBondContact NH1-OE2 2.79Å; R99-E102 VanDerWaalsContact NH1-OE2 3.12Å; R99-E102 WeakPolarHBondContact O-CB 3.36Å; R99-I103 PolarHBondContact O-N 3.18Å; R99-D334 IonicContact CZ-OD2 3.58Å; R99-D334 IonicContact NE-OD2 2.65Å; R99-D334 PolarHBondContact NE-OD2 2.89Å; R99-D334 IonicContact NH2-OD2 3.85Å; R99-D334 PolarHBondContact NH2-OD2 2.68Å
100V98.8Very high98.8Very high0 Ų031.2 Ų31.20%018%0.181CC..Hα-helixtrans-72.4-34.5179.3171.80000111.1M96 S98 E102 I103 V104 F117 W121M96-V100 HydrophobicContact CE-CG2 3.79Å; M96-V100 PolarHBondContact O-N 3.26Å; S98-V100 PolarHBondContact O-N 2.98Å; V100-E102 VanDerWaalsContact C-N 3.33Å; V100-E102 PolarHBondContact O-N 3.07Å; V100-I103 PolarHBondContact O-N 2.83Å; V100-I103 VanDerWaalsContact O-N 3.08Å; V100-V104 HydrophobicContact CG1-CG2 4.05Å; V100-V104 VanDerWaalsContact O-CG2 3.24Å; V100-V104 WeakPolarHBondContact O-CG2 3.29Å; V100-V104 PolarHBondContact O-N 3.42Å; V100-F117 HydrophobicContact CG1-CD1 3.76Å; V100-F117 HydrophobicContact CG1-CE1 3.39Å; V100-F117 HydrophobicContact CG1-CE2 4.23Å; V100-F117 HydrophobicContact CG1-CG 4.34Å; V100-F117 HydrophobicContact CG1-CZ 3.65Å; V100-W121 HydrophobicContact CB-CE3 4.2Å; V100-W121 HydrophobicContact CB-CH2 4.36Å; V100-W121 HydrophobicContact CB-CZ3 3.72Å; V100-W121 HydrophobicContact CG1-CE3 4.46Å; V100-W121 HydrophobicContact CG1-CH2 4.42Å; V100-W121 HydrophobicContact CG1-CZ3 4.12Å; V100-W121 HydrophobicContact CG2-CE3 3.66Å; V100-W121 HydrophobicContact CG2-CZ3 3.65Å
101G98.9Very high98.8Very high9 Ų926.6 Ų26.69%0.09316%0.164CC..Hα-helixtrans-57.3-43.8173.500000112.7H97 S98 I103 V104 E105H97-G101 PolarHBondContact O-N 2.65Å; S98-G101 PolarHBondContact O-N 3.44Å; G101-I103 VanDerWaalsContact C-N 3.3Å; G101-I103 PolarHBondContact O-N 2.84Å; G101-V104 PolarHBondContact O-N 2.93Å; G101-E105 PolarHBondContact O-N 2.91Å
102E98.8Very high98.8Very high66 Ų6622.7 Ų22.731%0.30814%0.144SC..Hα-helixtrans-58.1-39.1172.9-75.2175.3-179.300112.9R50 S98 R99 V100R50-E102 PolarHBondContact NH1-O 3.44Å; S98-E102 PolarHBondContact O-N 3.47Å; S98-E102 VanDerWaalsContact O-N 3.08Å; R99-E102 IonicContact NH1-OE2 2.72Å; R99-E102 PolarHBondContact NH1-OE2 2.79Å; R99-E102 VanDerWaalsContact NH1-OE2 3.12Å; R99-E102 WeakPolarHBondContact O-CB 3.36Å; V100-E102 VanDerWaalsContact C-N 3.33Å; V100-E102 PolarHBondContact O-N 3.07Å
103I98.9Very high98.8Very high0 Ų024.2 Ų24.20%015%0.152CC..Hα-helixtrans-74-40.4179.3-62169.7000110.5F52 V77 R99 V100 G101 E105 V106 A107 L336F52-I103 HydrophobicContact CD1-CG1 3.95Å; F52-I103 HydrophobicContact CD2-CG1 4.46Å; F52-I103 HydrophobicContact CE1-CG1 3.87Å; F52-I103 HydrophobicContact CE2-CG1 4.42Å; F52-I103 HydrophobicContact CE2-CG2 4.24Å; F52-I103 HydrophobicContact CG-CG1 4.23Å; F52-I103 HydrophobicContact CZ-CB 4.4Å; F52-I103 HydrophobicContact CZ-CG1 4.11Å; F52-I103 HydrophobicContact CZ-CG2 4.37Å; V77-I103 HydrophobicContact CG1-CB 4.42Å; V77-I103 HydrophobicContact CG1-CD1 3.88Å; V77-I103 HydrophobicContact CG1-CG2 3.95Å; V77-I103 HydrophobicContact CG2-CG2 3.84Å; R99-I103 PolarHBondContact O-N 3.18Å; V100-I103 PolarHBondContact O-N 2.83Å; V100-I103 VanDerWaalsContact O-N 3.08Å; G101-I103 VanDerWaalsContact C-N 3.3Å; G101-I103 PolarHBondContact O-N 2.84Å; I103-E105 VanDerWaalsContact C-N 3.3Å; I103-E105 PolarHBondContact O-N 3.3Å; I103-V106 PolarHBondContact O-N 3.07Å; I103-A107 PolarHBondContact O-N 3.14Å; I103-L336 HydrophobicContact CG2-CB 3.85Å; I103-L336 HydrophobicContact CG2-CD1 4.33Å; I103-L336 HydrophobicContact CG2-CD2 4.15Å; I103-L336 HydrophobicContact CG2-CG 4.33Å
104V98.9Very high98.9Very high1 Ų123.9 Ų23.91%0.00615%0.15CC..Hα-helixtrans-62.4-37.7177.1173.30000111.2V100 G101 V106 A107 A108 I115 F117 L154 Y158V100-V104 HydrophobicContact CG1-CG2 4.05Å; V100-V104 VanDerWaalsContact O-CG2 3.24Å; V100-V104 WeakPolarHBondContact O-CG2 3.29Å; V100-V104 PolarHBondContact O-N 3.42Å; G101-V104 PolarHBondContact O-N 2.93Å; V104-V106 VanDerWaalsContact C-N 3.33Å; V104-V106 PolarHBondContact O-N 3.47Å; V104-A107 WeakPolarHBondContact O-CB 3.27Å; V104-A107 PolarHBondContact O-N 3.49Å; V104-A108 PolarHBondContact O-N 3.36Å; V104-I115 HydrophobicContact CB-CD1 4.36Å; V104-I115 HydrophobicContact CG2-CD1 3.79Å; V104-F117 HydrophobicContact CG2-CE1 3.72Å; V104-F117 HydrophobicContact CG2-CZ 3.86Å; V104-L154 HydrophobicContact CB-CD1 4.33Å; V104-L154 HydrophobicContact CG1-CB 4.35Å; V104-L154 HydrophobicContact CG1-CD1 4.18Å; V104-L154 HydrophobicContact CG1-CD2 4.32Å; V104-L154 HydrophobicContact CG2-CD1 4.17Å; V104-Y158 HydrophobicContact CG1-CD2 4Å; V104-Y158 HydrophobicContact CG1-CE2 4.24Å
105E98.9Very high98.9Very high59 Ų5922.1 Ų22.128%0.27613%0.132SC..Hα-helixtrans-56.3-46.3172.6-86.4177.4-178.100112.5R50 G101 I103 A108 M109 Y158R50-E105 IonicContact CZ-OE2 3.12Å; R50-E105 VanDerWaalsContact CZ-OE2 3.28Å; R50-E105 IonicContact NH1-OE2 3.01Å; R50-E105 PolarHBondContact NH1-OE2 2.95Å; R50-E105 IonicContact NH2-OE2 3.39Å; R50-E105 PolarHBondContact NH2-OE2 3.4Å; G101-E105 PolarHBondContact O-N 2.91Å; I103-E105 VanDerWaalsContact C-N 3.3Å; I103-E105 PolarHBondContact O-N 3.3Å; E105-A108 WeakPolarHBondContact O-CB 3.09Å; E105-A108 PolarHBondContact O-N 3.43Å; E105-M109 WeakPolarHBondContact O-CG 3.41Å; E105-M109 PolarHBondContact O-N 3.4Å; E105-Y158 HydrophobicContact CG-CE2 4.45Å; E105-Y158 WeakPolarHBondContact CG-OH 3.42Å
106V98.9Very high98.9Very high0 Ų021.1 Ų21.10%012%0.124CC..Hα-helixtrans-68.8-36.4177175.80000111.2A43 A46 A47 F52 L54 I103 V104 A108 M109 C110 L336A43-V106 HydrophobicContact CB-CG1 3.98Å; A43-V106 WeakPolarHBondContact O-CG1 3.28Å; A46-V106 HydrophobicContact CB-CG2 3.73Å; A47-V106 HydrophobicContact CB-CG1 4.33Å; F52-V106 HydrophobicContact CE1-CG2 4.33Å; F52-V106 HydrophobicContact CE2-CB 4.42Å; F52-V106 HydrophobicContact CE2-CG1 4.26Å; F52-V106 HydrophobicContact CZ-CB 3.77Å; F52-V106 HydrophobicContact CZ-CG1 4Å; F52-V106 HydrophobicContact CZ-CG2 3.67Å; L54-V106 HydrophobicContact CD1-CG1 4.4Å; L54-V106 HydrophobicContact CD2-CG1 3.97Å; I103-V106 PolarHBondContact O-N 3.07Å; V104-V106 VanDerWaalsContact C-N 3.33Å; V104-V106 PolarHBondContact O-N 3.47Å; V106-A108 VanDerWaalsContact C-N 3.28Å; V106-A108 PolarHBondContact O-N 2.94Å; V106-M109 WeakPolarHBondContact O-CB 3.49Å; V106-M109 PolarHBondContact O-N 3.48Å; V106-C110 PolarHBondContact O-N 2.83Å; V106-C110 PolarHBondContact O-SG 3.38Å; V106-C110 VanDerWaalsContact O-SG 3.38Å; V106-L336 HydrophobicContact CB-CD2 4.39Å; V106-L336 HydrophobicContact CG1-CD2 4.17Å
107A98.9Very high98.9Very high0 Ų021 Ų210%012%0.123CC..Hα-helixtrans-59.7-40.4172.400000111.9I103 V104 C110 G111 V112 I115 M160 L336I103-A107 PolarHBondContact O-N 3.14Å; V104-A107 WeakPolarHBondContact O-CB 3.27Å; V104-A107 PolarHBondContact O-N 3.49Å; A107-C110 CarbonylContact O-C 3.39Å; A107-C110 WeakPolarHBondContact O-CB 3.5Å; A107-C110 PolarHBondContact O-N 3.04Å; A107-G111 PolarHBondContact O-N 3.13Å; A107-V112 HydrophobicContact CB-CB 4.07Å; A107-V112 HydrophobicContact CB-CG2 3.92Å; A107-V112 WeakPolarHBondContact O-CB 3.45Å; A107-V112 WeakPolarHBondContact O-CG2 3.25Å; A107-V112 PolarHBondContact O-N 2.85Å; A107-I115 HydrophobicContact CB-CD1 3.55Å; A107-M160 HydrophobicContact CB-CE 4.34Å; A107-L336 HydrophobicContact CB-CD1 4.14Å; A107-L336 HydrophobicContact CB-CD2 3.69Å
108A98.9Very high98.9Very high25 Ų2520.2 Ų20.221%0.20712%0.119CC..Hα-helixtrans-65-41.8175.100000111.9V104 E105 V106 C110 G111 Y158 M160V104-A108 PolarHBondContact O-N 3.36Å; E105-A108 WeakPolarHBondContact O-CB 3.09Å; E105-A108 PolarHBondContact O-N 3.43Å; V106-A108 VanDerWaalsContact C-N 3.28Å; V106-A108 PolarHBondContact O-N 2.94Å; A108-C110 PolarHBondContact O-N 2.87Å; A108-G111 PolarHBondContact O-N 2.92Å; A108-Y158 HydrophobicContact CB-CD1 3.29Å; A108-Y158 HydrophobicContact CB-CD2 4.27Å; A108-Y158 HydrophobicContact CB-CE1 3.86Å; A108-Y158 HydrophobicContact CB-CG 3.53Å; A108-M160 HydrophobicContact CB-CE 4.11Å
109M98.8Very high98.9Very high81 Ų8116.7 Ų16.740%0.39910%0.095SC..Hα-helixtrans-58-37.5172.6-63.6173.1-168.400111.6P40 A43 A46 E105 V106 G111P40-M109 WeakPolarHBondContact CG-O 3.37Å; A43-M109 HydrophobicContact CB-CB 3.87Å; A43-M109 HydrophobicContact CB-SD 4.46Å; A46-M109 HydrophobicContact CB-SD 4.34Å; E105-M109 WeakPolarHBondContact O-CG 3.41Å; E105-M109 PolarHBondContact O-N 3.4Å; V106-M109 WeakPolarHBondContact O-CB 3.49Å; V106-M109 PolarHBondContact O-N 3.48Å; M109-G111 PolarHBondContact O-N 2.81Å
110C98.8Very high98.9Very high1 Ų115.1 Ų15.11%0.0079%0.089CC..THydrogen-bonded Turntrans-75.1-2.5175.6-68.20000114.3L39 A43 R73 V106 A107 A108 V338L39-C110 HydrophobicContact CD2-CB 4.45Å; A43-C110 VanDerWaalsContact CB-SG 3.51Å; R73-C110 WeakPolarHBondContact CD-O 3.37Å; R73-C110 PolarHBondContact NH1-O 2.78Å; V106-C110 PolarHBondContact O-N 2.83Å; V106-C110 PolarHBondContact O-SG 3.38Å; V106-C110 VanDerWaalsContact O-SG 3.38Å; A107-C110 CarbonylContact O-C 3.39Å; A107-C110 WeakPolarHBondContact O-CB 3.5Å; A107-C110 PolarHBondContact O-N 3.04Å; A108-C110 PolarHBondContact O-N 2.87Å; C110-V338 HydrophobicContact CB-CG1 4.17Å; C110-V338 HydrophobicContact CB-CG2 3.89Å
111G98.7Very high98.9Very high32 Ų3215.1 Ų15.133%0.339%0.089SC..THydrogen-bonded Turntrans72.629.3-179.800000114.2R73 A107 A108 M109R73-G111 WeakPolarHBondContact CB-O 3.42Å; R73-G111 WeakPolarHBondContact CD-O 3.45Å; A107-G111 PolarHBondContact O-N 3.13Å; A108-G111 PolarHBondContact O-N 2.92Å; M109-G111 PolarHBondContact O-N 2.81Å
112V98.9Very high98.8Very high5 Ų514.8 Ų14.83%0.039%0.085CC..  trans-60.9137174.6171.30000110.4A107 V114 I115 M160 V338A107-V112 HydrophobicContact CB-CB 4.07Å; A107-V112 HydrophobicContact CB-CG2 3.92Å; A107-V112 WeakPolarHBondContact O-CB 3.45Å; A107-V112 WeakPolarHBondContact O-CG2 3.25Å; A107-V112 PolarHBondContact O-N 2.85Å; V112-V114 VanDerWaalsContact CG1-O 3.26Å; V112-V114 WeakPolarHBondContact CG1-O 3.29Å; V112-I115 HydrophobicContact CG1-CB 4.25Å; V112-M160 HydrophobicContact CB-CE 3.87Å; V112-M160 HydrophobicContact CB-SD 4.22Å; V112-M160 HydrophobicContact CG1-CE 4.05Å; V112-M160 HydrophobicContact CG1-CG 4.3Å; V112-M160 HydrophobicContact CG1-SD 3.7Å; V112-M160 WeakPolarHBondContact O-CE 3.32Å; V112-V338 HydrophobicContact CG2-CG1 3.95Å; V112-V338 HydrophobicContact CG2-CG2 4.06Å
113N98.9Very high98.8Very high39 Ų3911.7 Ų11.721%0.2097%0.07CC..SBendtrans-102.7-30.7178-53.3124000112.5V72 R73 M160 V161 F224V72-N113 HydrophobicContact CG2-CB 3.96Å; R73-N113 PolarHBondContact N-OD1 3.45Å; R73-N113 PolarHBondContact O-N 2.86Å; N113-M160 VanDerWaalsContact C-CG 3.47Å; N113-M160 CarbonylContact O-C 3.57Å; N113-M160 WeakPolarHBondContact O-CA 3.44Å; N113-M160 VanDerWaalsContact O-CG 3.3Å; N113-M160 WeakPolarHBondContact O-CG 3.37Å; N113-V161 PolarHBondContact O-N 2.89Å; N113-F224 HydrophobicContact CB-CB 4.3Å; N113-F224 HydrophobicContact CB-CD1 3.68Å; N113-F224 HydrophobicContact CB-CD2 3.79Å; N113-F224 HydrophobicContact CB-CE1 3.79Å; N113-F224 HydrophobicContact CB-CE2 3.89Å; N113-F224 HydrophobicContact CB-CG 3.68Å; N113-F224 HydrophobicContact CB-CZ 3.87Å; N113-F224 VanDerWaalsContact O-CD2 3.3Å; N113-F224 WeakPolarHBondContact O-CD2 3.23Å; N113-F224 VanDerWaalsContact O-CE2 3.28Å; N113-F224 WeakPolarHBondContact O-CE2 3.35Å
114V98.9Very high98.8Very high0 Ų011.7 Ų11.70%07%0.07CC..EExtended strand (participates in β ladder)trans-133.7120.2178.3-174.30000108.8V72 R73 V74 G75 V112 V161 I163 F224 L227 F253V72-V114 HydrophobicContact CG2-CG2 4.23Å; R73-V114 PolarHBondContact O-N 3.43Å; V74-V114 CarbonylContact C-O 3.59Å; V74-V114 VanDerWaalsContact CA-O 3.25Å; V74-V114 WeakPolarHBondContact CA-O 3.28Å; V74-V114 HydrophobicContact CG1-CB 4.37Å; G75-V114 PolarHBondContact N-O 3.27Å; V112-V114 VanDerWaalsContact CG1-O 3.26Å; V112-V114 WeakPolarHBondContact CG1-O 3.29Å; V114-V161 CarbonylContact C-O 3.35Å; V114-V161 WeakPolarHBondContact CA-O 3.23Å; V114-V161 HydrophobicContact CB-CB 4.45Å; V114-V161 HydrophobicContact CG1-CB 4.22Å; V114-V161 HydrophobicContact CG1-CG1 4.12Å; V114-V161 HydrophobicContact CG2-CB 4.18Å; V114-I163 HydrophobicContact CG1-CD1 4.08Å; V114-F224 HydrophobicContact CG2-CB 3.82Å; V114-F224 HydrophobicContact CG2-CD2 4.17Å; V114-F224 HydrophobicContact CG2-CG 4.38Å; V114-L227 HydrophobicContact CG1-CD1 3.7Å; V114-L227 HydrophobicContact CG2-CD1 4.07Å; V114-L227 HydrophobicContact CG2-CD2 4.48Å; V114-F253 HydrophobicContact CB-CZ 4.33Å; V114-F253 HydrophobicContact CG1-CE2 3.88Å; V114-F253 HydrophobicContact CG1-CZ 3.6Å
115I98.9Very high98.8Very high0 Ų011.7 Ų11.70%07%0.07CC..EExtended strand (participates in β ladder)trans-112.3139.8174.9-166.9151.5000110.7G75 V77 V104 A107 V112 F117 M160 V161 V162 I163G75-I115 WeakPolarHBondContact O-CA 3.21Å; V77-I115 HydrophobicContact CG2-CD1 3.75Å; V77-I115 HydrophobicContact CG2-CG1 3.88Å; V104-I115 HydrophobicContact CB-CD1 4.36Å; V104-I115 HydrophobicContact CG2-CD1 3.79Å; A107-I115 HydrophobicContact CB-CD1 3.55Å; V112-I115 HydrophobicContact CG1-CB 4.25Å; I115-F117 HydrophobicContact CD1-CE1 4.29Å; I115-F117 HydrophobicContact CG1-CD1 4.47Å; I115-F117 HydrophobicContact CG1-CE1 3.94Å; I115-F117 HydrophobicContact CG2-CE1 4.33Å; I115-F117 HydrophobicContact CG2-CZ 4.39Å; I115-M160 HydrophobicContact CB-SD 3.44Å; I115-M160 WeakPolarHBondContact CB-SD 3.39Å; I115-M160 HydrophobicContact CD1-SD 4.31Å; I115-M160 HydrophobicContact CG2-CG 4.28Å; I115-M160 HydrophobicContact CG2-SD 3.35Å; I115-M160 WeakPolarHBondContact CG2-SD 3.23Å; I115-V161 PolarHBondContact N-O 2.74Å; I115-V162 HydrophobicContact CG2-CB 4.19Å; I115-V162 HydrophobicContact CG2-CG1 4.17Å; I115-V162 HydrophobicContact CG2-CG2 3.78Å; I115-I163 PolarHBondContact O-N 3.16Å
116C98.9Very high98.7Very high0 Ų08.9 Ų8.90%06%0.057CC..EExtended strand (participates in β ladder)trans-130136.8176.3-173.70000110G75 V77 I163 F253 I285G75-C116 PolarHBondContact O-N 3.38Å; V77-C116 PolarHBondContact N-O 3.3Å; V77-C116 VanDerWaalsContact N-O 3.08Å; C116-I163 HydrophobicContact CB-CB 4.01Å; C116-I163 HydrophobicContact CB-CD1 4.38Å; C116-F253 HydrophobicContact CB-CB 4.41Å; C116-F253 HydrophobicContact CB-CD1 3.28Å; C116-F253 HydrophobicContact CB-CE1 3.64Å; C116-F253 HydrophobicContact CB-CG 3.95Å; C116-I285 HydrophobicContact CB-CD1 3.67Å; C116-I285 WeakPolarHBondContact O-CD1 3.21Å
117F98.9Very high98.7Very high0 Ų08.9 Ų8.90%06%0.057CC..PPolyproline II helixtrans-94.9166.8174.5-47.1-43.1000110.8V77 V100 V104 I115 W121 V162 I163 P255V77-F117 HydrophobicContact CB-CD1 4.02Å; V77-F117 HydrophobicContact CG2-CD1 4.01Å; V77-F117 HydrophobicContact CG2-CE1 4.23Å; V100-F117 HydrophobicContact CG1-CD1 3.76Å; V100-F117 HydrophobicContact CG1-CE1 3.39Å; V100-F117 HydrophobicContact CG1-CE2 4.23Å; V100-F117 HydrophobicContact CG1-CG 4.34Å; V100-F117 HydrophobicContact CG1-CZ 3.65Å; V104-F117 HydrophobicContact CG2-CE1 3.72Å; V104-F117 HydrophobicContact CG2-CZ 3.86Å; I115-F117 HydrophobicContact CD1-CE1 4.29Å; I115-F117 HydrophobicContact CG1-CD1 4.47Å; I115-F117 HydrophobicContact CG1-CE1 3.94Å; I115-F117 HydrophobicContact CG2-CE1 4.33Å; I115-F117 HydrophobicContact CG2-CZ 4.39Å; F117-W121 HydrophobicContact CB-CB 4.01Å; F117-W121 HydrophobicContact CB-CD2 4.38Å; F117-W121 HydrophobicContact CB-CG 3.8Å; F117-W121 AromaticContact CD2-CD1 3.88Å; F117-W121 HydrophobicContact CD2-CD2 4.1Å; F117-W121 AromaticContact CD2-CE2 3.65Å; F117-W121 HydrophobicContact CD2-CG 4.22Å; F117-W121 HydrophobicContact CD2-CZ2 4.06Å; F117-W121 AromaticContact CD2-NE1 3.54Å; F117-W121 HydrophobicContact CE2-CZ2 4.1Å; F117-W121 HydrophobicContact CG-CD2 4.42Å; F117-W121 HydrophobicContact CG-CG 4.32Å; F117-V162 HydrophobicContact CD2-CG1 4.46Å; F117-V162 HydrophobicContact CE2-CG1 3.52Å; F117-V162 HydrophobicContact CZ-CG1 3.71Å; F117-I163 PolarHBondContact N-O 2.84Å; F117-P255 WeakPolarHBondContact O-CB 3.46Å
118Q98.9Very high98.5Very high0 Ų08.9 Ų8.90%06%0.057CC..PPolyproline II helixtrans-70.2173.4174.369.5-166.336.900112.5H79 W121 P165 I285 R287H79-Q118 PolarHBondContact CE1-NE2 2.78Å; H79-Q118 VanDerWaalsContact CE1-NE2 3.25Å; H79-Q118 PolarHBondContact NE2-NE2 3.45Å; H79-Q118 PolarHBondContact O-NE2 3.06Å; H79-Q118 PolarHBondContact O-OE1 3.47Å; H79-Q118 VanDerWaalsContact O-OE1 3.09Å; Q118-W121 HydrophobicContact CG-CB 3.98Å; Q118-P165 WeakPolarHBondContact O-CG 3.38Å; Q118-I285 HydrophobicContact CB-CG2 3.93Å; Q118-R287 VanDerWaalsContact NE2-CG 3.33Å
119E98.9Very high98.5Very high0 Ų08.4 Ų8.40%05%0.052CC..THydrogen-bonded Turntrans-63.9136.5179.3-177.1176-143.500112.1W121 F125 N178 K195 I231 C232 P255 A257 R287E119-W121 PolarHBondContact O-N 2.67Å; E119-W121 VanDerWaalsContact O-N 3.16Å; E119-F125 HydrophobicContact CG-CE2 4.28Å; E119-N178 PolarHBondContact OE1-ND2 2.93Å; E119-K195 IonicContact OE1-NZ 2.8Å; E119-K195 PolarHBondContact OE1-NZ 3.38Å; E119-I231 HydrophobicContact CG-CG2 4.39Å; E119-C232 HydrophobicContact CG-CB 4.45Å; E119-C232 WeakPolarHBondContact OE1-CB 3.5Å; E119-C232 WeakPolarHBondContact OE2-CB 3.16Å; E119-C232 PolarHBondContact OE2-SG 2.91Å; E119-P255 HydrophobicContact CB-CB 4.43Å; E119-A257 HydrophobicContact CB-CB 4.48Å; E119-A257 PolarHBondContact OE2-N 2.97Å; E119-R287 PolarHBondContact O-NH2 2.8Å
120T98.5Very high98.4Very high0 Ų09.5 Ų9.50%05%0.051CC..THydrogen-bonded Turntrans43.849.2178.758.70000111.7T122 M123 F125 F127 P165 R287T120-T122 PolarHBondContact O-N 3.28Å; T120-T122 VanDerWaalsContact O-N 3.09Å; T120-M123 HydrophobicContact CG2-SD 4.45Å; T120-M123 WeakPolarHBondContact O-CG 3.44Å; T120-M123 PolarHBondContact O-N 2.83Å; T120-F125 WeakPolarHBondContact OG1-CD2 3.49Å; T120-F127 HydrophobicContact CG2-CE2 4.19Å; T120-F127 HydrophobicContact CG2-CZ 4.16Å; T120-P165 VanDerWaalsContact CA-O 3.27Å; T120-P165 WeakPolarHBondContact CA-O 3.41Å; T120-P165 PolarHBondContact N-O 3.06Å; T120-R287 PolarHBondContact O-NH2 3.26Å
121W98.8Very high98.4Very high0 Ų012.5 Ų12.50%07%0.065CC..THydrogen-bonded Turntrans-63.1-21.2-165.370.7-89000113.9H79 M96 H97 V100 F117 Q118 E119 M123 T147 F150 S164 P165H79-W121 PolarHBondContact CE1-O 3.47Å; M96-W121 HydrophobicContact CB-CZ3 4.29Å; M96-W121 HydrophobicContact CE-CE3 4.11Å; M96-W121 HydrophobicContact CE-CZ3 4.5Å; H97-W121 AromaticContact CD2-CH2 3.39Å; H97-W121 WeakPolarHBondContact CD2-CH2 3.45Å; H97-W121 AromaticContact CD2-CZ3 3.85Å; V100-W121 HydrophobicContact CB-CE3 4.2Å; V100-W121 HydrophobicContact CB-CH2 4.36Å; V100-W121 HydrophobicContact CB-CZ3 3.72Å; V100-W121 HydrophobicContact CG1-CE3 4.46Å; V100-W121 HydrophobicContact CG1-CH2 4.42Å; V100-W121 HydrophobicContact CG1-CZ3 4.12Å; V100-W121 HydrophobicContact CG2-CE3 3.66Å; V100-W121 HydrophobicContact CG2-CZ3 3.65Å; F117-W121 HydrophobicContact CB-CB 4.01Å; F117-W121 HydrophobicContact CB-CD2 4.38Å; F117-W121 HydrophobicContact CB-CG 3.8Å; F117-W121 AromaticContact CD2-CD1 3.88Å; F117-W121 HydrophobicContact CD2-CD2 4.1Å; F117-W121 AromaticContact CD2-CE2 3.65Å; F117-W121 HydrophobicContact CD2-CG 4.22Å; F117-W121 HydrophobicContact CD2-CZ2 4.06Å; F117-W121 AromaticContact CD2-NE1 3.54Å; F117-W121 HydrophobicContact CE2-CZ2 4.1Å; F117-W121 HydrophobicContact CG-CD2 4.42Å; F117-W121 HydrophobicContact CG-CG 4.32Å; Q118-W121 HydrophobicContact CG-CB 3.98Å; E119-W121 PolarHBondContact O-N 2.67Å; E119-W121 VanDerWaalsContact O-N 3.16Å; W121-M123 VanDerWaalsContact C-N 3.34Å; W121-T147 HydrophobicContact CH2-CG2 4.33Å; W121-T147 HydrophobicContact CZ2-CG2 3.48Å; W121-T147 VanDerWaalsContact CZ2-CG2 3.48Å; W121-F150 HydrophobicContact CH2-CD1 4.15Å; W121-F150 AromaticContact CH2-CE1 3.96Å; W121-F150 HydrophobicContact CH2-CE1 3.96Å; W121-S164 PolarHBondContact NE1-OG 3.41Å; W121-P165 PolarHBondContact N-O 2.77Å
122T98.4Very high98.3Very high1 Ų115.4 Ų15.41%0.0067%0.069CC..THydrogen-bonded Turntrans-83.7-3.3-178.853.20000114.9T120 F138 T147T120-T122 PolarHBondContact O-N 3.28Å; T120-T122 VanDerWaalsContact O-N 3.09Å; T122-F138 WeakPolarHBondContact O-CE1 3.46Å; T122-T147 HydrophobicContact CG2-CG2 3.54Å
123M98.6Very high98.2Very high1 Ų122.6 Ų22.61%0.00510%0.102CC..SBendtrans-136.5156.2-176.465.5-176.8-60.200112.7T120 W121 F127 F138 L167 R287T120-M123 HydrophobicContact CG2-SD 4.45Å; T120-M123 WeakPolarHBondContact O-CG 3.44Å; T120-M123 PolarHBondContact O-N 2.83Å; W121-M123 VanDerWaalsContact C-N 3.34Å; M123-F127 HydrophobicContact CE-CE1 4.23Å; M123-F127 HydrophobicContact CE-CZ 4.37Å; M123-F127 HydrophobicContact SD-CZ 4.2Å; M123-F138 HydrophobicContact CB-CB 4.1Å; M123-F138 HydrophobicContact CB-CD1 3.38Å; M123-F138 HydrophobicContact CB-CD2 4.21Å; M123-F138 HydrophobicContact CB-CE1 3.69Å; M123-F138 HydrophobicContact CB-CE2 4.47Å; M123-F138 HydrophobicContact CB-CG 3.65Å; M123-F138 HydrophobicContact CB-CZ 4.24Å; M123-F138 HydrophobicContact CE-CB 4.07Å; M123-F138 HydrophobicContact CE-CD2 4.21Å; M123-F138 HydrophobicContact CE-CG 4.23Å; M123-F138 HydrophobicContact SD-CB 4.09Å; M123-L167 HydrophobicContact CE-CD2 4.39Å; M123-L167 HydrophobicContact SD-CB 3.98Å; M123-L167 HydrophobicContact SD-CD2 4.14Å; M123-R287 PolarHBondContact O-NH1 3.46Å; M123-R287 PolarHBondContact O-NH2 2.8Å; M123-R287 VanDerWaalsContact O-NH2 3.08Å
124P98.4Very high98.1Very high1 Ų123.4 Ų23.41%0.00611%0.109CC..  trans-55.8147.8155.9-18.931.8000110.1I81 T85 A126 W135 E291 F293I81-P124 HydrophobicContact CD1-CB 4.38Å; I81-P124 HydrophobicContact CD1-CG 4.28Å; I81-P124 HydrophobicContact CG2-CB 4.37Å; I81-P124 HydrophobicContact CG2-CG 4.28Å; T85-P124 HydrophobicContact CG2-CB 3.88Å; T85-P124 HydrophobicContact CG2-CG 3.91Å; P124-A126 PolarHBondContact O-N 3.45Å; P124-W135 HydrophobicContact CG-CZ3 4.42Å; P124-E291 WeakPolarHBondContact CA-OE2 3.26Å; P124-F293 HydrophobicContact CB-CE1 3.87Å; P124-F293 HydrophobicContact CB-CZ 3.94Å
125F98Very high98.1Very high0 Ų024 Ų240%011%0.112CC..  trans-78.559.8178.3-152.2-100.7000111E119 T120 F127 F204 A257 E291 F309 F312E119-F125 HydrophobicContact CG-CE2 4.28Å; T120-F125 WeakPolarHBondContact OG1-CD2 3.49Å; F125-F127 HydrophobicContact CD1-CD2 4.13Å; F125-F127 HydrophobicContact CD2-CD2 4.14Å; F125-F127 HydrophobicContact CD2-CE2 4.09Å; F125-F127 AromaticContact CE1-CD2 3.77Å; F125-F127 HydrophobicContact CE1-CD2 3.77Å; F125-F127 AromaticContact CE2-CD2 3.79Å; F125-F127 HydrophobicContact CE2-CD2 3.79Å; F125-F127 AromaticContact CE2-CE2 3.69Å; F125-F127 HydrophobicContact CE2-CE2 3.69Å; F125-F127 HydrophobicContact CG-CD2 4.31Å; F125-F127 AromaticContact CZ-CD2 3.61Å; F125-F127 HydrophobicContact CZ-CD2 3.61Å; F125-F127 AromaticContact CZ-CE2 3.95Å; F125-F127 HydrophobicContact CZ-CE2 3.95Å; F125-F127 PolarHBondContact O-N 3.08Å; F125-F204 HydrophobicContact CD1-CE1 4.38Å; F125-F204 AromaticContact CE1-CD1 3.59Å; F125-F204 HydrophobicContact CE1-CD1 3.59Å; F125-F204 AromaticContact CE1-CE1 3.71Å; F125-F204 HydrophobicContact CE1-CE1 3.71Å; F125-F204 HydrophobicContact CZ-CD1 4.21Å; F125-F204 HydrophobicContact CZ-CE1 4.4Å; F125-A257 HydrophobicContact CD1-CB 4.36Å; F125-A257 HydrophobicContact CD2-CB 3.48Å; F125-A257 VanDerWaalsContact CD2-CB 3.48Å; F125-A257 HydrophobicContact CE1-CB 4.31Å; F125-A257 HydrophobicContact CE2-CB 3.43Å; F125-A257 VanDerWaalsContact CE2-CB 3.43Å; F125-A257 HydrophobicContact CG-CB 3.96Å; F125-A257 HydrophobicContact CZ-CB 3.85Å; F125-E291 PolarHBondContact N-OE2 3.36Å; F125-F309 HydrophobicContact CD1-CE1 4.13Å; F125-F309 AromaticContact CD1-CE2 3.81Å; F125-F309 HydrophobicContact CD1-CE2 3.81Å; F125-F309 AromaticContact CD1-CZ 3.52Å; F125-F309 HydrophobicContact CD1-CZ 3.52Å; F125-F309 HydrophobicContact CE1-CE2 4.48Å; F125-F309 AromaticContact CE1-CZ 3.98Å; F125-F309 HydrophobicContact CE1-CZ 3.98Å; F125-F312 HydrophobicContact CB-CE2 4.29Å; F125-F312 HydrophobicContact CB-CZ 3.65Å; F125-F312 HydrophobicContact CD1-CE1 4.46Å; F125-F312 HydrophobicContact CD1-CZ 4.16Å; F125-F312 HydrophobicContact CG-CE1 4.48Å; F125-F312 HydrophobicContact CG-CZ 4.04Å
126A97.9Very high98Very high0 Ų025 Ų250%012%0.118CC..G310 helixtrans-69.10.3-169.500000114.9P124 C128 T129 W135 F293P124-A126 PolarHBondContact O-N 3.45Å; A126-C128 PolarHBondContact O-N 3.21Å; A126-T129 PolarHBondContact O-N 2.89Å; A126-T129 PolarHBondContact O-OG1 3.32Å; A126-W135 HydrophobicContact CB-CB 4.16Å; A126-W135 HydrophobicContact CB-CD2 3.31Å; A126-W135 HydrophobicContact CB-CE3 3.48Å; A126-W135 VanDerWaalsContact CB-CE3 3.48Å; A126-W135 HydrophobicContact CB-CG 3.6Å; A126-W135 HydrophobicContact CB-CZ2 4.38Å; A126-W135 HydrophobicContact CB-CZ3 4.11Å; A126-F293 HydrophobicContact CB-CD1 4.46Å; A126-F293 HydrophobicContact CB-CE1 3.62Å; A126-F293 HydrophobicContact CB-CZ 4.06Å
127F97.6Very high98Very high0 Ų031.1 Ų31.10%015%0.147CC..G310 helixtrans-62.4-17-176.8-51.8-47.4000113.6T120 M123 F125 T129 N205 E206 Y209 Y210T120-F127 HydrophobicContact CG2-CE2 4.19Å; T120-F127 HydrophobicContact CG2-CZ 4.16Å; M123-F127 HydrophobicContact CE-CE1 4.23Å; M123-F127 HydrophobicContact CE-CZ 4.37Å; M123-F127 HydrophobicContact SD-CZ 4.2Å; F125-F127 HydrophobicContact CD1-CD2 4.13Å; F125-F127 HydrophobicContact CD2-CD2 4.14Å; F125-F127 HydrophobicContact CD2-CE2 4.09Å; F125-F127 AromaticContact CE1-CD2 3.77Å; F125-F127 HydrophobicContact CE1-CD2 3.77Å; F125-F127 AromaticContact CE2-CD2 3.79Å; F125-F127 HydrophobicContact CE2-CD2 3.79Å; F125-F127 AromaticContact CE2-CE2 3.69Å; F125-F127 HydrophobicContact CE2-CE2 3.69Å; F125-F127 HydrophobicContact CG-CD2 4.31Å; F125-F127 AromaticContact CZ-CD2 3.61Å; F125-F127 HydrophobicContact CZ-CD2 3.61Å; F125-F127 AromaticContact CZ-CE2 3.95Å; F125-F127 HydrophobicContact CZ-CE2 3.95Å; F125-F127 PolarHBondContact O-N 3.08Å; F127-T129 VanDerWaalsContact C-N 3.3Å; F127-T129 PolarHBondContact O-N 3.48Å; F127-N205 WeakPolarHBondContact O-CB 3.14Å; F127-E206 HydrophobicContact CB-CG 4.36Å; F127-E206 HydrophobicContact CD2-CG 3.85Å; F127-E206 HydrophobicContact CG-CG 4.27Å; F127-Y209 HydrophobicContact CB-CD2 4.2Å; F127-Y209 HydrophobicContact CB-CE2 3.94Å; F127-Y209 HydrophobicContact CD1-CD1 4.02Å; F127-Y209 AromaticContact CD1-CD2 3.56Å; F127-Y209 HydrophobicContact CD1-CD2 3.56Å; F127-Y209 HydrophobicContact CD1-CE1 4.16Å; F127-Y209 AromaticContact CD1-CE2 3.72Å; F127-Y209 HydrophobicContact CD1-CE2 3.72Å; F127-Y209 AromaticContact CD1-CG 3.72Å; F127-Y209 HydrophobicContact CD1-CG 3.72Å; F127-Y209 HydrophobicContact CE1-CD1 4.25Å; F127-Y209 HydrophobicContact CE1-CD2 4.38Å; F127-Y209 HydrophobicContact CE1-CG 4.11Å; F127-Y209 HydrophobicContact CG-CD2 4.22Å; F127-Y209 HydrophobicContact CG-CE2 4.29Å; F127-Y210 AromaticContact CE1-CE1 3.94Å; F127-Y210 HydrophobicContact CE1-CE1 3.94Å; F127-Y210 HydrophobicContact CE2-CE1 4.24Å; F127-Y210 VanDerWaalsContact CE2-OH 3.32Å; F127-Y210 WeakPolarHBondContact CE2-OH 3.29Å; F127-Y210 AromaticContact CZ-CE1 3.77Å; F127-Y210 HydrophobicContact CZ-CE1 3.77Å
128C96.5Very high98Very high0 Ų031.3 Ų31.30%015%0.147CC..G310 helixtrans-62.5-34.317159.20000114.1A126 R130 D203 F297 F309A126-C128 PolarHBondContact O-N 3.21Å; C128-R130 PolarHBondContact O-N 2.91Å; C128-D203 WeakPolarHBondContact CA-O 3.34Å; C128-D203 HydrophobicContact CB-CB 3.97Å; C128-D203 PolarHBondContact N-O 3.24Å; C128-F297 HydrophobicContact CB-CD2 3.74Å; C128-F297 HydrophobicContact CB-CE1 4.37Å; C128-F297 HydrophobicContact CB-CE2 3.41Å; C128-F297 VanDerWaalsContact CB-CE2 3.41Å; C128-F297 HydrophobicContact CB-CG 4.35Å; C128-F297 HydrophobicContact CB-CZ 3.78Å; C128-F297 VanDerWaalsContact SG-CE1 3.59Å; C128-F297 WeakPolarHBondContact SG-CZ 3.42Å; C128-F309 HydrophobicContact CB-CD2 3.37Å; C128-F309 HydrophobicContact CB-CE2 3.49Å; C128-F309 VanDerWaalsContact CB-CE2 3.49Å; C128-F309 WeakPolarHBondContact SG-CD2 3.35Å
129T97.3Very high98Very high16 Ų1631.8 Ų31.810%0.09815%0.152CC..THydrogen-bonded Turntrans-72.3-27.5-172.470.90000110.4A126 F127 E131 W135 F293 F297A126-T129 PolarHBondContact O-N 2.89Å; A126-T129 PolarHBondContact O-OG1 3.32Å; F127-T129 VanDerWaalsContact C-N 3.3Å; F127-T129 PolarHBondContact O-N 3.48Å; T129-E131 PolarHBondContact O-N 3.43Å; T129-E131 VanDerWaalsContact O-N 3.1Å; T129-E131 PolarHBondContact OG1-N 3.41Å; T129-W135 PolarHBondContact OG1-NE1 3.18Å; T129-F293 HydrophobicContact CG2-CB 4.03Å; T129-F293 HydrophobicContact CG2-CD1 3.92Å; T129-F293 HydrophobicContact CG2-CD2 4.3Å; T129-F293 HydrophobicContact CG2-CG 3.8Å; T129-F297 HydrophobicContact CG2-CD1 4.34Å
130R97.9Very high97.9Very high103 Ų10333.3 Ų33.339%0.38916%0.159SC..  trans63.23.4-172.7-49171.9-165.8160.87.8113.1C128 N205 Y209 T298C128-R130 PolarHBondContact O-N 2.91Å; R130-N205 HydrophobicContact CG-CB 3.87Å; R130-N205 PolarHBondContact NE-ND2 2.91Å; R130-N205 VanDerWaalsContact NE-ND2 3.19Å; R130-N205 PolarHBondContact NE-OD1 3.42Å; R130-Y209 WeakPolarHBondContact CA-OH 3.21Å; R130-Y209 PolarHBondContact N-OH 3.25Å; R130-T298 PolarHBondContact NH2-O 3.25Å
131E97.8Very high97.9Very high64 Ų6435.4 Ų35.430%0.29917%0.173SC..  trans-71.3139.8176-65171.9156.100109.5T129 W135 Y209 S295T129-E131 PolarHBondContact O-N 3.43Å; T129-E131 VanDerWaalsContact O-N 3.1Å; T129-E131 PolarHBondContact OG1-N 3.41Å; E131-W135 PolarHBondContact OE2-NE1 3.41Å; E131-Y209 PolarHBondContact N-OH 2.93Å; E131-Y209 VanDerWaalsContact O-CE1 3.26Å; E131-Y209 WeakPolarHBondContact O-CE1 3.37Å; E131-Y209 PolarHBondContact O-OH 3.37Å; E131-S295 WeakPolarHBondContact OE1-CB 3.28Å; E131-S295 PolarHBondContact OE1-OG 3.09Å
132K97.4Very high97.9Very high94 Ų9435.5 Ų35.541%0.40917%0.174SC..  trans-85.7-44.2176.1-66.5-68.8-176.5174.30111.6W135 T136 T208 Y209K132-W135 PolarHBondContact O-N 2.83Å; K132-T136 HydrophobicContact CB-CG2 4.31Å; K132-T136 HydrophobicContact CD-CG2 3.95Å; K132-T136 WeakPolarHBondContact O-CB 3.31Å; K132-T136 VanDerWaalsContact O-CG2 3.27Å; K132-T136 WeakPolarHBondContact O-CG2 3.5Å; K132-T136 PolarHBondContact O-N 2.84Å; K132-T136 PolarHBondContact O-OG1 3.45Å; K132-T208 PolarHBondContact NZ-O 2.87Å; K132-Y209 HydrophobicContact CD-CE1 4.5Å
133E96.4Very high97.8Very high156 Ų15640.5 Ų40.573%0.72920%0.197SC*.THydrogen-bonded Turntrans-100.4141178.3-68.4176.7-16700109.8W135E133-W135 VanDerWaalsContact C-N 3.29Å
134P97.1Very high97.7Very high55 Ų5547 Ų4736%0.35723%0.227SC..THydrogen-bonded Turncis-84.80.5-5.938.9-37.7000112.1I89 T136 E137I89-P134 HydrophobicContact CD1-CB 3.65Å; I89-P134 HydrophobicContact CD1-CG 4.11Å; I89-P134 WeakPolarHBondContact CD1-O 3.38Å; P134-T136 VanDerWaalsContact C-N 3.28Å; P134-T136 PolarHBondContact O-N 2.81Å; P134-E137 VanDerWaalsContact O-CB 3.28Å; P134-E137 WeakPolarHBondContact O-CB 3.33Å; P134-E137 PolarHBondContact O-N 3.39Å
135W98.4Very high97.7Very high13 Ų1347.1 Ų47.15%0.04923%0.229CC..G310 helixtrans-57.2-30.8-166.7-51.9117.2000115.8T85 P124 A126 T129 E131 K132 E133 E137 F138 F293T85-W135 VanDerWaalsContact O-CH2 3.32Å; T85-W135 WeakPolarHBondContact O-CH2 3.26Å; P124-W135 HydrophobicContact CG-CZ3 4.42Å; A126-W135 HydrophobicContact CB-CB 4.16Å; A126-W135 HydrophobicContact CB-CD2 3.31Å; A126-W135 HydrophobicContact CB-CE3 3.48Å; A126-W135 VanDerWaalsContact CB-CE3 3.48Å; A126-W135 HydrophobicContact CB-CG 3.6Å; A126-W135 HydrophobicContact CB-CZ2 4.38Å; A126-W135 HydrophobicContact CB-CZ3 4.11Å; T129-W135 PolarHBondContact OG1-NE1 3.18Å; E131-W135 PolarHBondContact OE2-NE1 3.41Å; K132-W135 PolarHBondContact O-N 2.83Å; E133-W135 VanDerWaalsContact C-N 3.29Å; W135-E137 VanDerWaalsContact C-N 3.25Å; W135-E137 PolarHBondContact O-N 2.99Å; W135-F138 HydrophobicContact CE3-CD2 4.31Å; W135-F138 AromaticContact CE3-CE2 3.8Å; W135-F138 HydrophobicContact CE3-CE2 3.8Å; W135-F138 HydrophobicContact CZ3-CE2 4.07Å; W135-F138 WeakPolarHBondContact O-CB 3.44Å; W135-F138 PolarHBondContact O-N 3.07Å; W135-F293 AromaticContact CH2-CD1 3.76Å; W135-F293 HydrophobicContact CH2-CD1 3.76Å; W135-F293 AromaticContact CH2-CE1 3.9Å; W135-F293 HydrophobicContact CH2-CE1 3.9Å; W135-F293 AromaticContact CZ2-CD1 3.68Å; W135-F293 HydrophobicContact CZ2-CD1 3.68Å; W135-F293 HydrophobicContact CZ2-CE1 4.1Å; W135-F293 HydrophobicContact CZ3-CE1 4.31Å
136T98.3Very high97.7Very high20 Ų2050.7 Ų50.712%0.12325%0.249CC..G310 helixtrans-75.8-10.7177.558.40000113.7K132 P134 F138 A139 R169 L176 Y209K132-T136 HydrophobicContact CB-CG2 4.31Å; K132-T136 HydrophobicContact CD-CG2 3.95Å; K132-T136 WeakPolarHBondContact O-CB 3.31Å; K132-T136 VanDerWaalsContact O-CG2 3.27Å; K132-T136 WeakPolarHBondContact O-CG2 3.5Å; K132-T136 PolarHBondContact O-N 2.84Å; K132-T136 PolarHBondContact O-OG1 3.45Å; P134-T136 VanDerWaalsContact C-N 3.28Å; P134-T136 PolarHBondContact O-N 2.81Å; T136-F138 VanDerWaalsContact C-N 3.26Å; T136-A139 VanDerWaalsContact O-CB 3.25Å; T136-A139 WeakPolarHBondContact O-CB 3.37Å; T136-A139 PolarHBondContact O-N 3.19Å; T136-R169 PolarHBondContact O-NH2 2.93Å; T136-L176 HydrophobicContact CG2-CD1 3.45Å; T136-L176 VanDerWaalsContact CG2-CD1 3.45Å; T136-Y209 HydrophobicContact CG2-CD1 4.14Å; T136-Y209 HydrophobicContact CG2-CE1 4.34Å
137E98.1Very high97.7Very high130 Ų13050.7 Ų50.761%0.60725%0.249SC*.G310 helixtrans-72.7-18.3170.9-63.6-178.8-138.600112.6I89 P134 W135 A139I89-E137 HydrophobicContact CD1-CB 3.75Å; P134-E137 VanDerWaalsContact O-CB 3.28Å; P134-E137 WeakPolarHBondContact O-CB 3.33Å; P134-E137 PolarHBondContact O-N 3.39Å; W135-E137 VanDerWaalsContact C-N 3.25Å; W135-E137 PolarHBondContact O-N 2.99Å; E137-A139 PolarHBondContact O-N 2.98Å
138F98.7Very high97.8Very high3 Ų350.7 Ų50.71%0.01325%0.249CC..G310 helixtrans-65.8-13.2168.8-78.4-86.7000113I89 Q92 V93 T122 M123 W135 T136 E140I89-F138 HydrophobicContact CB-CE2 4.25Å; I89-F138 HydrophobicContact CB-CZ 4.19Å; I89-F138 HydrophobicContact CD1-CD2 3.72Å; I89-F138 HydrophobicContact CD1-CE2 3.63Å; I89-F138 HydrophobicContact CD1-CZ 4.41Å; I89-F138 HydrophobicContact CG1-CD2 4.06Å; I89-F138 HydrophobicContact CG1-CE2 3.51Å; I89-F138 HydrophobicContact CG1-CZ 3.84Å; I89-F138 HydrophobicContact CG2-CD1 3.82Å; I89-F138 HydrophobicContact CG2-CD2 4Å; I89-F138 HydrophobicContact CG2-CE1 3.81Å; I89-F138 HydrophobicContact CG2-CE2 3.98Å; I89-F138 HydrophobicContact CG2-CG 3.93Å; I89-F138 HydrophobicContact CG2-CZ 3.89Å; Q92-F138 HydrophobicContact CB-CE1 4.25Å; Q92-F138 HydrophobicContact CB-CZ 4.21Å; V93-F138 HydrophobicContact CG2-CD1 3.74Å; V93-F138 HydrophobicContact CG2-CE1 3.78Å; T122-F138 WeakPolarHBondContact O-CE1 3.46Å; M123-F138 HydrophobicContact CB-CB 4.1Å; M123-F138 HydrophobicContact CB-CD1 3.38Å; M123-F138 HydrophobicContact CB-CD2 4.21Å; M123-F138 HydrophobicContact CB-CE1 3.69Å; M123-F138 HydrophobicContact CB-CE2 4.47Å; M123-F138 HydrophobicContact CB-CG 3.65Å; M123-F138 HydrophobicContact CB-CZ 4.24Å; M123-F138 HydrophobicContact CE-CB 4.07Å; M123-F138 HydrophobicContact CE-CD2 4.21Å; M123-F138 HydrophobicContact CE-CG 4.23Å; M123-F138 HydrophobicContact SD-CB 4.09Å; W135-F138 HydrophobicContact CE3-CD2 4.31Å; W135-F138 AromaticContact CE3-CE2 3.8Å; W135-F138 HydrophobicContact CE3-CE2 3.8Å; W135-F138 HydrophobicContact CZ3-CE2 4.07Å; W135-F138 WeakPolarHBondContact O-CB 3.44Å; W135-F138 PolarHBondContact O-N 3.07Å; T136-F138 VanDerWaalsContact C-N 3.26Å; F138-E140 PolarHBondContact O-N 3.19Å
139A98.6Very high97.9Very high11 Ų1156.4 Ų56.49%0.09127%0.27CS..  trans-75.7125.1-17800000111.5T136 E137 L167 R169 L176T136-A139 VanDerWaalsContact O-CB 3.25Å; T136-A139 WeakPolarHBondContact O-CB 3.37Å; T136-A139 PolarHBondContact O-N 3.19Å; E137-A139 PolarHBondContact O-N 2.98Å; A139-L167 VanDerWaalsContact CA-O 3.28Å; A139-L167 WeakPolarHBondContact CA-O 3.49Å; A139-L167 HydrophobicContact CB-CB 4.38Å; A139-L167 HydrophobicContact CB-CD2 3.71Å; A139-L167 HydrophobicContact CB-CG 3.67Å; A139-R169 HydrophobicContact CB-CB 3.81Å; A139-L176 HydrophobicContact CB-CD2 3.4Å
140E98.3Very high98Very high32 Ų3257.5 Ų57.515%0.1527%0.273CS..BIsolated β-bridgetrans-121.5163.9-176.3-64.4-177.2-133.500112F138 A142 G145 N146 T147 L167 E168 R169F138-E140 PolarHBondContact O-N 3.19Å; E140-A142 PolarHBondContact O-N 3.41Å; E140-G145 WeakPolarHBondContact OE2-CA 3.49Å; E140-N146 WeakPolarHBondContact OE2-CA 3.32Å; E140-N146 WeakPolarHBondContact OE2-CB 3.13Å; E140-N146 PolarHBondContact OE2-N 3.19Å; E140-T147 PolarHBondContact OE1-OG1 3.49Å; E140-T147 PolarHBondContact OE2-N 2.84Å; E140-T147 PolarHBondContact OE2-OG1 2.88Å; E140-L167 PolarHBondContact N-O 3.36Å; E140-E168 CarbonylContact O-C 3.54Å; E140-E168 VanDerWaalsContact O-CA 3.26Å; E140-E168 WeakPolarHBondContact O-CA 3.48Å; E140-R169 PolarHBondContact O-N 3.03Å
141S98.4Very high98Very high43 Ų4352.6 Ų52.630%0.30126%0.255SS..  trans-62.1133.6168.5169.80000110.3E143 E144 G145S141-E143 VanDerWaalsContact C-N 3.26Å; S141-E143 PolarHBondContact O-N 2.85Å; S141-E143 PolarHBondContact OG-N 3.24Å; S141-E144 PolarHBondContact OG-N 3Å; S141-E144 VanDerWaalsContact OG-N 3.1Å; S141-G145 WeakPolarHBondContact O-CA 3.28Å; S141-G145 PolarHBondContact O-N 3.11Å
142A98.3Very high98.1Very high2 Ų252.1 Ų52.12%0.01725%0.253CS..THydrogen-bonded Turntrans-63-32.8177.800000112.9E140 T148 E168 T179 V181 K192E140-A142 PolarHBondContact O-N 3.41Å; A142-T148 WeakPolarHBondContact O-CG2 3.3Å; A142-T148 PolarHBondContact O-OG1 2.89Å; A142-E168 HydrophobicContact CB-CG 3.99Å; A142-T179 HydrophobicContact CB-CG2 4.45Å; A142-V181 HydrophobicContact CB-CG2 3.92Å; A142-V181 WeakPolarHBondContact O-CG1 3.3Å; A142-V181 WeakPolarHBondContact O-CG2 3.44Å; A142-K192 HydrophobicContact CB-CD 3.69Å
143E96.1Very high98.2Very high107 Ų10754.2 Ų54.250%0.526%0.264SS..THydrogen-bonded Turntrans-100.7-35.5-173.9-67.8171.7-154.700111.9S141 T148 V189S141-E143 VanDerWaalsContact C-N 3.26Å; S141-E143 PolarHBondContact O-N 2.85Å; S141-E143 PolarHBondContact OG-N 3.24Å; E143-T148 WeakPolarHBondContact O-CG2 3.35Å; E143-V189 HydrophobicContact CG-CG1 4.31Å
144E96.8Very high98.3Very high136 Ų13647.6 Ų47.664%0.63623%0.233SC*.THydrogen-bonded Turntrans-118.69.7-173.5-55.2-170.2169.600113.2S141 R149S141-E144 PolarHBondContact OG-N 3Å; S141-E144 VanDerWaalsContact OG-N 3.1Å; E144-R149 PolarHBondContact O-NH1 3.46Å; E144-R149 PolarHBondContact O-NH2 3.07Å
145G97.9Very high98.4Very high5 Ų545 Ų455%0.05222%0.216CC..  trans-61153.1174.800000112E140 S141 T147 T148 R149E140-G145 WeakPolarHBondContact OE2-CA 3.49Å; S141-G145 WeakPolarHBondContact O-CA 3.28Å; S141-G145 PolarHBondContact O-N 3.11Å; G145-T147 PolarHBondContact O-N 3.01Å; G145-T148 PolarHBondContact O-N 2.94Å; G145-R149 PolarHBondContact O-N 2.84Å
146N98Very high98.4Very high75 Ų7551.6 Ų51.640%0.40125%0.246SC..Hα-helixtrans-56.8-41173.6-173.451.5000111E140 R149 F150E140-N146 WeakPolarHBondContact OE2-CA 3.32Å; E140-N146 WeakPolarHBondContact OE2-CB 3.13Å; E140-N146 PolarHBondContact OE2-N 3.19Å; N146-R149 PolarHBondContact O-N 2.79Å; N146-F150 PolarHBondContact O-N 3.32Å
147T98.8Very high98.4Very high0 Ų057.2 Ų57.20%027%0.268CS..Hα-helixtrans-63.6-43.2176.6-640000112.5H97 W121 T122 E140 G145 F150 C151 I166H97-T147 PolarHBondContact CE1-OG1 3.33Å; H97-T147 PolarHBondContact NE2-OG1 2.81Å; W121-T147 HydrophobicContact CH2-CG2 4.33Å; W121-T147 HydrophobicContact CZ2-CG2 3.48Å; W121-T147 VanDerWaalsContact CZ2-CG2 3.48Å; T122-T147 HydrophobicContact CG2-CG2 3.54Å; E140-T147 PolarHBondContact OE1-OG1 3.49Å; E140-T147 PolarHBondContact OE2-N 2.84Å; E140-T147 PolarHBondContact OE2-OG1 2.88Å; G145-T147 PolarHBondContact O-N 3.01Å; T147-F150 PolarHBondContact O-N 3.5Å; T147-C151 PolarHBondContact O-N 3.43Å; T147-C151 PolarHBondContact O-SG 2.78Å; T147-I166 HydrophobicContact CG2-CG2 3.87Å
148T98.9Very high98.4Very high0 Ų053.7 Ų53.70%025%0.25CC..Hα-helixtrans-63.9-44.3176.9-65.90000111A142 E143 G145 F150 C151 Q152 V181 I183 V189A142-T148 WeakPolarHBondContact O-CG2 3.3Å; A142-T148 PolarHBondContact O-OG1 2.89Å; E143-T148 WeakPolarHBondContact O-CG2 3.35Å; G145-T148 PolarHBondContact O-N 2.94Å; T148-F150 PolarHBondContact O-N 3.32Å; T148-C151 CarbonylContact O-C 3.5Å; T148-C151 WeakPolarHBondContact O-CA 3.25Å; T148-C151 WeakPolarHBondContact O-CB 3.47Å; T148-C151 PolarHBondContact O-N 3.03Å; T148-C151 VanDerWaalsContact O-N 3.08Å; T148-Q152 HydrophobicContact CG2-CG 4.34Å; T148-Q152 WeakPolarHBondContact O-CG 3.48Å; T148-Q152 PolarHBondContact O-N 2.94Å; T148-V181 HydrophobicContact CG2-CG1 4.32Å; T148-I183 HydrophobicContact CG2-CG1 4.48Å; T148-V189 HydrophobicContact CG2-CG2 3.59Å
149R98.8Very high98.4Very high120 Ų12057.8 Ų57.845%0.45327%0.272SS..Hα-helixtrans-58.4-46.1175.9-74.9-170.5-73-95.7-8.9112.6E144 G145 N146 C151 Q152 E153E144-R149 PolarHBondContact O-NH1 3.46Å; E144-R149 PolarHBondContact O-NH2 3.07Å; G145-R149 PolarHBondContact O-N 2.84Å; N146-R149 PolarHBondContact O-N 2.79Å; R149-C151 VanDerWaalsContact C-N 3.3Å; R149-C151 PolarHBondContact O-N 2.9Å; R149-Q152 WeakPolarHBondContact O-CB 3.42Å; R149-Q152 PolarHBondContact O-N 3.12Å; R149-Q152 VanDerWaalsContact O-N 3.11Å; R149-E153 PolarHBondContact O-N 3.24Å; R149-E153 VanDerWaalsContact O-N 3.08Å
150F98.9Very high98.4Very high38 Ų3857.3 Ų57.317%0.16727%0.268CS..Hα-helixtrans-55.2-45.9172.9169.6-103.1000111.7H97 W121 N146 T147 T148 Q152 E153 L154H97-F150 HydrophobicContact CB-CD1 4.32Å; H97-F150 HydrophobicContact CB-CD2 4.32Å; H97-F150 HydrophobicContact CB-CE1 4.12Å; H97-F150 HydrophobicContact CB-CE2 4.12Å; H97-F150 HydrophobicContact CB-CG 4.42Å; H97-F150 HydrophobicContact CB-CZ 4Å; H97-F150 AromaticContact CG-CD1 4Å; H97-F150 AromaticContact ND1-CG 3.89Å; H97-F150 WeakPolarHBondContact O-CZ 3.43Å; W121-F150 HydrophobicContact CH2-CD1 4.15Å; W121-F150 AromaticContact CH2-CE1 3.96Å; W121-F150 HydrophobicContact CH2-CE1 3.96Å; N146-F150 PolarHBondContact O-N 3.32Å; T147-F150 PolarHBondContact O-N 3.5Å; T148-F150 PolarHBondContact O-N 3.32Å; F150-Q152 PolarHBondContact O-N 2.87Å; F150-E153 PolarHBondContact O-N 2.94Å; F150-L154 HydrophobicContact CD1-CD1 4.07Å; F150-L154 HydrophobicContact CE1-CD1 3.42Å; F150-L154 VanDerWaalsContact CE1-CD1 3.42Å; F150-L154 HydrophobicContact CE1-CG 4.39Å; F150-L154 HydrophobicContact CE2-CD1 4.12Å; F150-L154 HydrophobicContact CE2-CG 4.36Å; F150-L154 HydrophobicContact CZ-CD1 3.46Å; F150-L154 VanDerWaalsContact CZ-CD1 3.46Å; F150-L154 HydrophobicContact CZ-CG 4.17Å; F150-L154 WeakPolarHBondContact O-CG 3.47Å; F150-L154 PolarHBondContact O-N 2.74Å
151C98.9Very high98.5Very high0 Ų055.8 Ų55.80%026%0.261CS..Hα-helixtrans-64.7-35.3176-67.60000113.4T147 T148 R149 L154 A155 V162 I183T147-C151 PolarHBondContact O-N 3.43Å; T147-C151 PolarHBondContact O-SG 2.78Å; T148-C151 CarbonylContact O-C 3.5Å; T148-C151 WeakPolarHBondContact O-CA 3.25Å; T148-C151 WeakPolarHBondContact O-CB 3.47Å; T148-C151 PolarHBondContact O-N 3.03Å; T148-C151 VanDerWaalsContact O-N 3.08Å; R149-C151 VanDerWaalsContact C-N 3.3Å; R149-C151 PolarHBondContact O-N 2.9Å; C151-L154 PolarHBondContact O-N 3.3Å; C151-A155 WeakPolarHBondContact O-CB 3.35Å; C151-A155 PolarHBondContact O-N 2.88Å; C151-V162 HydrophobicContact CB-CB 4.44Å; C151-V162 HydrophobicContact CB-CG1 3.91Å; C151-I183 HydrophobicContact CB-CD1 3.8Å; C151-I183 HydrophobicContact CB-CG1 4.23Å
152Q98.9Very high98.5Very high54 Ų5453.7 Ų53.725%0.25225%0.246SC..Hα-helixtrans-63.8-40.7175.7-67.9178.3-7700112.2T148 R149 F150 A155 K156 I183 G187 V189T148-Q152 HydrophobicContact CG2-CG 4.34Å; T148-Q152 WeakPolarHBondContact O-CG 3.48Å; T148-Q152 PolarHBondContact O-N 2.94Å; R149-Q152 WeakPolarHBondContact O-CB 3.42Å; R149-Q152 PolarHBondContact O-N 3.12Å; R149-Q152 VanDerWaalsContact O-N 3.11Å; F150-Q152 PolarHBondContact O-N 2.87Å; Q152-A155 PolarHBondContact O-N 2.85Å; Q152-K156 WeakPolarHBondContact O-CB 3.42Å; Q152-K156 PolarHBondContact O-N 2.96Å; Q152-I183 HydrophobicContact CB-CG2 4.4Å; Q152-I183 HydrophobicContact CG-CG1 4.43Å; Q152-I183 HydrophobicContact CG-CG2 3.86Å; Q152-G187 WeakPolarHBondContact CB-O 3.3Å; Q152-G187 WeakPolarHBondContact CG-O 3.28Å; Q152-G187 PolarHBondContact NE2-O 2.74Å; Q152-V189 HydrophobicContact CG-CG2 4.39Å
153E98.8Very high98.5Very high139 Ų13953.6 Ų53.665%0.6525%0.245SC*.Hα-helixtrans-62.8-48.1175.5-69.2-178.9179.800111.4R149 F150 K156 K157R149-E153 PolarHBondContact O-N 3.24Å; R149-E153 VanDerWaalsContact O-N 3.08Å; F150-E153 PolarHBondContact O-N 2.94Å; E153-K156 PolarHBondContact O-N 2.9Å; E153-K157 WeakPolarHBondContact O-CB 3.47Å; E153-K157 PolarHBondContact O-N 2.65Å
154L98.8Very high98.7Very high16 Ų1648.5 Ų48.58%0.08422%0.222CC..Hα-helixtrans-60.6-47.2176.1-67.1177.6000111.9V104 F150 C151 K156 K157 Y158V104-L154 HydrophobicContact CB-CD1 4.33Å; V104-L154 HydrophobicContact CG1-CB 4.35Å; V104-L154 HydrophobicContact CG1-CD1 4.18Å; V104-L154 HydrophobicContact CG1-CD2 4.32Å; V104-L154 HydrophobicContact CG2-CD1 4.17Å; F150-L154 HydrophobicContact CD1-CD1 4.07Å; F150-L154 HydrophobicContact CE1-CD1 3.42Å; F150-L154 VanDerWaalsContact CE1-CD1 3.42Å; F150-L154 HydrophobicContact CE1-CG 4.39Å; F150-L154 HydrophobicContact CE2-CD1 4.12Å; F150-L154 HydrophobicContact CE2-CG 4.36Å; F150-L154 HydrophobicContact CZ-CD1 3.46Å; F150-L154 VanDerWaalsContact CZ-CD1 3.46Å; F150-L154 HydrophobicContact CZ-CG 4.17Å; F150-L154 WeakPolarHBondContact O-CG 3.47Å; F150-L154 PolarHBondContact O-N 2.74Å; C151-L154 PolarHBondContact O-N 3.3Å; L154-K156 VanDerWaalsContact C-N 3.35Å; L154-K156 PolarHBondContact O-N 3.19Å; L154-K157 PolarHBondContact O-N 3.02Å; L154-Y158 HydrophobicContact CD2-CD2 4.41Å; L154-Y158 HydrophobicContact CD2-CE2 3.84Å; L154-Y158 VanDerWaalsContact O-CD2 3.27Å; L154-Y158 WeakPolarHBondContact O-CD2 3.31Å; L154-Y158 PolarHBondContact O-N 2.85Å
155A98.9Very high98.8Very high0 Ų042 Ų420%019%0.191CC..Hα-helixtrans-57.2-48.5-179.400000111.5C151 Q152 N159 M160 V162 I183 S184C151-A155 WeakPolarHBondContact O-CB 3.35Å; C151-A155 PolarHBondContact O-N 2.88Å; Q152-A155 PolarHBondContact O-N 2.85Å; A155-N159 VanDerWaalsContact O-CA 3.3Å; A155-N159 WeakPolarHBondContact O-CA 3.32Å; A155-N159 PolarHBondContact O-N 2.98Å; A155-M160 VanDerWaalsContact CA-O 3.23Å; A155-M160 WeakPolarHBondContact CA-O 3.45Å; A155-M160 VanDerWaalsContact CB-O 3.23Å; A155-M160 WeakPolarHBondContact CB-O 3.26Å; A155-M160 PolarHBondContact O-N 2.94Å; A155-V162 HydrophobicContact CB-CG2 3.8Å; A155-I183 HydrophobicContact CB-CG2 3.73Å; A155-S184 WeakPolarHBondContact CB-O 3.39Å
156K98.8Very high98.8Very high153 Ų15342 Ų4267%0.66519%0.19SC*.Hα-helixtrans-68.1-43.6178.7-173.7177.3-179.2179.90112.2Q152 E153 L154 Y158Q152-K156 WeakPolarHBondContact O-CB 3.42Å; Q152-K156 PolarHBondContact O-N 2.96Å; E153-K156 PolarHBondContact O-N 2.9Å; L154-K156 VanDerWaalsContact C-N 3.35Å; L154-K156 PolarHBondContact O-N 3.19Å; K156-Y158 VanDerWaalsContact C-N 3.3Å; K156-Y158 PolarHBondContact O-N 3.12Å
157K98.8Very high98.8Very high138 Ų13838.4 Ų38.460%0.617%0.171SC*.Hα-helixtrans-60.6-40-179.1-177.2179.1179.7-168.40111.9E153 L154E153-K157 WeakPolarHBondContact O-CB 3.47Å; E153-K157 PolarHBondContact O-N 2.65Å; L154-K157 PolarHBondContact O-N 3.02Å
158Y98.8Very high98.8Very high55 Ų5538.5 Ų38.522%0.21617%0.171CC..Hα-helixtrans-106.14.6-174.8-58.6-60.4000114.4V104 E105 A108 L154 K156 M160V104-Y158 HydrophobicContact CG1-CD2 4Å; V104-Y158 HydrophobicContact CG1-CE2 4.24Å; E105-Y158 HydrophobicContact CG-CE2 4.45Å; E105-Y158 WeakPolarHBondContact CG-OH 3.42Å; A108-Y158 HydrophobicContact CB-CD1 3.29Å; A108-Y158 HydrophobicContact CB-CD2 4.27Å; A108-Y158 HydrophobicContact CB-CE1 3.86Å; A108-Y158 HydrophobicContact CB-CG 3.53Å; L154-Y158 HydrophobicContact CD2-CD2 4.41Å; L154-Y158 HydrophobicContact CD2-CE2 3.84Å; L154-Y158 VanDerWaalsContact O-CD2 3.27Å; L154-Y158 WeakPolarHBondContact O-CD2 3.31Å; L154-Y158 PolarHBondContact O-N 2.85Å; K156-Y158 VanDerWaalsContact C-N 3.3Å; K156-Y158 PolarHBondContact O-N 3.12Å; Y158-M160 VanDerWaalsContact C-N 3.28Å; Y158-M160 PolarHBondContact O-N 3.29Å
159N98.8Very high98.8Very high89 Ų8942.3 Ų42.348%0.47619%0.186SC..THydrogen-bonded Turntrans49.749.5-175.8-175.136.5000112A155 N185A155-N159 VanDerWaalsContact O-CA 3.3Å; A155-N159 WeakPolarHBondContact O-CA 3.32Å; A155-N159 PolarHBondContact O-N 2.98Å; N159-N185 PolarHBondContact OD1-ND2 2.81Å
160M98.8Very high98.6Very high1 Ų138.9 Ų38.91%0.00518%0.175CC..  trans-129.2139.1-171.6-168.9-170.3-57.300110.5A107 A108 V112 N113 I115 A155 Y158 N185A107-M160 HydrophobicContact CB-CE 4.34Å; A108-M160 HydrophobicContact CB-CE 4.11Å; V112-M160 HydrophobicContact CB-CE 3.87Å; V112-M160 HydrophobicContact CB-SD 4.22Å; V112-M160 HydrophobicContact CG1-CE 4.05Å; V112-M160 HydrophobicContact CG1-CG 4.3Å; V112-M160 HydrophobicContact CG1-SD 3.7Å; V112-M160 WeakPolarHBondContact O-CE 3.32Å; N113-M160 VanDerWaalsContact C-CG 3.47Å; N113-M160 CarbonylContact O-C 3.57Å; N113-M160 WeakPolarHBondContact O-CA 3.44Å; N113-M160 VanDerWaalsContact O-CG 3.3Å; N113-M160 WeakPolarHBondContact O-CG 3.37Å; I115-M160 HydrophobicContact CB-SD 3.44Å; I115-M160 WeakPolarHBondContact CB-SD 3.39Å; I115-M160 HydrophobicContact CD1-SD 4.31Å; I115-M160 HydrophobicContact CG2-CG 4.28Å; I115-M160 HydrophobicContact CG2-SD 3.35Å; I115-M160 WeakPolarHBondContact CG2-SD 3.23Å; A155-M160 VanDerWaalsContact CA-O 3.23Å; A155-M160 WeakPolarHBondContact CA-O 3.45Å; A155-M160 VanDerWaalsContact CB-O 3.23Å; A155-M160 WeakPolarHBondContact CB-O 3.26Å; A155-M160 PolarHBondContact O-N 2.94Å; Y158-M160 VanDerWaalsContact C-N 3.28Å; Y158-M160 PolarHBondContact O-N 3.29Å; M160-N185 VanDerWaalsContact O-CA 3.31Å; M160-N185 WeakPolarHBondContact O-CA 3.31Å
161V98.9Very high98Very high0 Ų045.4 Ų45.40%021%0.206CC..EExtended strand (participates in β ladder)trans-74.3133.1169.1172.30000108.8N113 V114 I115 V182 I183 N185 T222 F224 L227N113-V161 PolarHBondContact O-N 2.89Å; V114-V161 CarbonylContact C-O 3.35Å; V114-V161 WeakPolarHBondContact CA-O 3.23Å; V114-V161 HydrophobicContact CB-CB 4.45Å; V114-V161 HydrophobicContact CG1-CB 4.22Å; V114-V161 HydrophobicContact CG1-CG1 4.12Å; V114-V161 HydrophobicContact CG2-CB 4.18Å; I115-V161 PolarHBondContact N-O 2.74Å; V161-V182 HydrophobicContact CG1-CG1 4.07Å; V161-I183 CarbonylContact C-O 3.49Å; V161-I183 VanDerWaalsContact CA-O 3.3Å; V161-I183 WeakPolarHBondContact CA-O 3.25Å; V161-I183 WeakPolarHBondContact CG1-O 3.43Å; V161-N185 HydrophobicContact CG2-CB 4.29Å; V161-T222 HydrophobicContact CG1-CG2 4.31Å; V161-T222 HydrophobicContact CG2-CG2 4Å; V161-F224 HydrophobicContact CG2-CD2 3.77Å; V161-F224 HydrophobicContact CG2-CE2 4.2Å; V161-L227 HydrophobicContact CG1-CD1 3.84Å
162V98.9Very high97.3Very high0 Ų052.1 Ų52.10%024%0.241CC..EExtended strand (participates in β ladder)trans-115.5128.1178.7-178.90000109.4I115 F117 C151 A155 I183I115-V162 HydrophobicContact CG2-CB 4.19Å; I115-V162 HydrophobicContact CG2-CG1 4.17Å; I115-V162 HydrophobicContact CG2-CG2 3.78Å; F117-V162 HydrophobicContact CD2-CG1 4.46Å; F117-V162 HydrophobicContact CE2-CG1 3.52Å; F117-V162 HydrophobicContact CZ-CG1 3.71Å; C151-V162 HydrophobicContact CB-CB 4.44Å; C151-V162 HydrophobicContact CB-CG1 3.91Å; A155-V162 HydrophobicContact CB-CG2 3.8Å; V162-I183 HydrophobicContact CB-CB 4.31Å; V162-I183 HydrophobicContact CB-CD1 4.39Å; V162-I183 HydrophobicContact CG1-CD1 4.48Å; V162-I183 PolarHBondContact N-O 2.88Å; V162-I183 WeakPolarHBondContact O-CD1 3.3Å; V162-I183 PolarHBondContact O-N 2.83Å
163I98.9Very high96.8Very high0 Ų055.6 Ų55.60%026%0.257CS..EExtended strand (participates in β ladder)trans-108.7115.6173.5-58.5172.6000108.1V114 I115 C116 F117 V181 V182 L227 V229 F253V114-I163 HydrophobicContact CG1-CD1 4.08Å; I115-I163 PolarHBondContact O-N 3.16Å; C116-I163 HydrophobicContact CB-CB 4.01Å; C116-I163 HydrophobicContact CB-CD1 4.38Å; F117-I163 PolarHBondContact N-O 2.84Å; I163-V181 WeakPolarHBondContact CA-O 3.19Å; I163-V182 HydrophobicContact CG1-CG1 4.44Å; I163-V182 HydrophobicContact CG1-CG2 4.38Å; I163-L227 HydrophobicContact CD1-CD1 4.4Å; I163-V229 HydrophobicContact CD1-CG2 4.39Å; I163-V229 HydrophobicContact CG2-CG1 4.39Å; I163-V229 HydrophobicContact CG2-CG2 3.67Å; I163-F253 HydrophobicContact CD1-CB 4.45Å; I163-F253 HydrophobicContact CD1-CD1 4.43Å; I163-F253 HydrophobicContact CD1-CD2 3.28Å; I163-F253 HydrophobicContact CD1-CE2 3.47Å; I163-F253 VanDerWaalsContact CD1-CE2 3.47Å; I163-F253 HydrophobicContact CD1-CG 3.81Å; I163-F253 HydrophobicContact CD1-CZ 4.14Å
164S98.9Very high96.5Very high0 Ų052.4 Ų52.40%025%0.25CC..EExtended strand (participates in β ladder)trans-121.399.5-170.4-173.40000111.5W121 V181W121-S164 PolarHBondContact NE1-OG 3.41Å; S164-V181 PolarHBondContact N-O 2.84Å; S164-V181 PolarHBondContact O-N 3.44Å
165P98.9Very high96.3Very high0 Ų054 Ų540%026%0.26CS..EExtended strand (participates in β ladder)trans-79.7116.6174.4-15.432.3000112.1Q118 T120 W121 T179 P255Q118-P165 WeakPolarHBondContact O-CG 3.38Å; T120-P165 VanDerWaalsContact CA-O 3.27Å; T120-P165 WeakPolarHBondContact CA-O 3.41Å; T120-P165 PolarHBondContact N-O 3.06Å; W121-P165 PolarHBondContact N-O 2.77Å; P165-T179 CarbonylContact C-O 3.51Å; P165-T179 WeakPolarHBondContact CA-O 3.35Å; P165-P255 HydrophobicContact CB-CB 4.25Å; P165-P255 HydrophobicContact CB-CG 4.26Å; P165-P255 HydrophobicContact CG-CB 3.54Å; P165-P255 HydrophobicContact CG-CG 3.64Å
166I98.9Very high96.3Very high3 Ų354.7 Ų54.72%0.01526%0.264CS..EExtended strand (participates in β ladder)trans-129.9166.2-175.965.2170000111.6T147 T179 V181T147-I166 HydrophobicContact CG2-CG2 3.87Å; I166-T179 PolarHBondContact N-O 3.45Å; I166-T179 PolarHBondContact O-N 2.88Å; I166-V181 HydrophobicContact CD1-CG2 4.14Å; I166-V181 HydrophobicContact CG1-CG2 4.31Å
167L98.8Very high96.3Very high1 Ų148.6 Ų48.61%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-80112.9159-174.865.6000107.6M123 A139 E140 L176 W177 Y210M123-L167 HydrophobicContact CE-CD2 4.39Å; M123-L167 HydrophobicContact SD-CB 3.98Å; M123-L167 HydrophobicContact SD-CD2 4.14Å; A139-L167 VanDerWaalsContact CA-O 3.28Å; A139-L167 WeakPolarHBondContact CA-O 3.49Å; A139-L167 HydrophobicContact CB-CB 4.38Å; A139-L167 HydrophobicContact CB-CD2 3.71Å; A139-L167 HydrophobicContact CB-CG 3.67Å; E140-L167 PolarHBondContact N-O 3.36Å; L167-L176 HydrophobicContact CD1-CB 4.35Å; L167-W177 CarbonylContact C-O 3.54Å; L167-Y210 HydrophobicContact CD1-CD1 3.84Å; L167-Y210 HydrophobicContact CD1-CE1 3.96Å
168E98.8Very high96.3Very high2 Ų242.1 Ų42.11%0.00921%0.209CC..EExtended strand (participates in β ladder)trans-87.8139.7177.3168.9-172-170.100109.9E140 A142 L176 W177 T179 K192 R194E140-E168 CarbonylContact O-C 3.54Å; E140-E168 VanDerWaalsContact O-CA 3.26Å; E140-E168 WeakPolarHBondContact O-CA 3.48Å; A142-E168 HydrophobicContact CB-CG 3.99Å; E168-L176 CarbonylContact O-C 3.52Å; E168-L176 VanDerWaalsContact O-CA 3.25Å; E168-L176 WeakPolarHBondContact O-CA 3.32Å; E168-W177 HydrophobicContact CB-CB 4.13Å; E168-W177 HydrophobicContact CG-CB 4.48Å; E168-W177 PolarHBondContact N-O 2.84Å; E168-W177 PolarHBondContact O-N 3.36Å; E168-T179 HydrophobicContact CB-CG2 4.4Å; E168-T179 WeakPolarHBondContact CB-OG1 3.41Å; E168-T179 WeakPolarHBondContact OE2-CB 3.35Å; E168-T179 WeakPolarHBondContact OE2-CG2 3.49Å; E168-T179 PolarHBondContact OE2-OG1 3.21Å; E168-K192 WeakPolarHBondContact OE1-CE 3.38Å; E168-K192 IonicContact OE1-NZ 3.38Å; E168-K192 PolarHBondContact OE1-NZ 3.32Å; E168-R194 IonicContact OE1-CZ 3.28Å; E168-R194 IonicContact OE1-NE 2.81Å; E168-R194 IonicContact OE1-NH2 3.5Å; E168-R194 PolarHBondContact OE1-NH2 3.01Å; E168-R194 IonicContact OE2-CZ 3.68Å; E168-R194 IonicContact OE2-NE 2.65Å; E168-R194 PolarHBondContact OE2-NE 3.21Å; E168-R194 IonicContact OE2-NH2 2.78Å; E168-R194 PolarHBondContact OE2-NH2 3.19Å
169R98.4Very high96.3Very high80 Ų8039.5 Ų39.530%0.30220%0.198SC..EExtended strand (participates in β ladder)trans-110116.6160.5-176.3176.3-64.2-82.85.9108.9T136 A139 E140 S174 L176T136-R169 PolarHBondContact O-NH2 2.93Å; A139-R169 HydrophobicContact CB-CB 3.81Å; E140-R169 PolarHBondContact O-N 3.03Å; R169-S174 PolarHBondContact NH1-O 2.99Å; R169-L176 HydrophobicContact CB-CD2 4.07Å; R169-L176 HydrophobicContact CG-CD2 4.24Å
170E93.6Very high96.3Very high48 Ų4835.2 Ų35.222%0.22418%0.176CC..  trans-76131.3175-177.5173.4-102.300110.8S174 T175 R194E170-S174 WeakPolarHBondContact O-CA 3.33Å; E170-S174 PolarHBondContact O-N 2.97Å; E170-T175 PolarHBondContact N-O 2.84Å; E170-R194 IonicContact OE1-CZ 3.02Å; E170-R194 IonicContact OE1-NH1 2.69Å; E170-R194 PolarHBondContact OE1-NH1 2.87Å; E170-R194 IonicContact OE1-NH2 3.84Å; E170-R194 PolarHBondContact OE1-NH2 3.35Å
171E86.3Confident96.3Very high175 Ų17535.2 Ų35.282%0.81818%0.175SC*.THydrogen-bonded Turntrans-64.5-45.2-171.2-169.6177.5-177.500113.4H173E171-H173 PolarHBondContact O-N 2.95Å
172L85.2Confident96.3Very high140 Ų14035.2 Ų35.273%0.73318%0.175SC*.THydrogen-bonded Turntrans-66.6-37.9-170.4-173.665.8000113.6
173H88.1Confident96.3Very high128 Ų12835.2 Ų35.259%0.59318%0.175SC*.THydrogen-bonded Turntrans-122.10.6-173.6-62.1-34.1000113.5E171 T175E171-H173 PolarHBondContact O-N 2.95Å; H173-T175 PolarHBondContact O-N 2.84Å
174S91.2Very high96.3Very high71 Ų7135.9 Ų35.950%0.49718%0.18SC..  trans55.419.7-174.2-65.40000113.9R169 E170R169-S174 PolarHBondContact NH1-O 2.99Å; E170-S174 WeakPolarHBondContact O-CA 3.33Å; E170-S174 PolarHBondContact O-N 2.97Å
175T96.1Very high96.3Very high50 Ų5037.1 Ų37.131%0.30719%0.187SC..  trans-69.5137.1178.6-53.90000109.7E170 H173 W177E170-T175 PolarHBondContact N-O 2.84Å; H173-T175 PolarHBondContact O-N 2.84Å; T175-W177 HydrophobicContact CG2-CD2 4.38Å; T175-W177 HydrophobicContact CG2-CZ2 3.75Å
176L98.5Very high96.3Very high15 Ų1540.2 Ų40.28%0.07921%0.208CC..EExtended strand (participates in β ladder)trans-89.7144.9176.5-58.6-178.2000110.4T136 A139 L167 E168 R169 Y209 Y210T136-L176 HydrophobicContact CG2-CD1 3.45Å; T136-L176 VanDerWaalsContact CG2-CD1 3.45Å; A139-L176 HydrophobicContact CB-CD2 3.4Å; L167-L176 HydrophobicContact CD1-CB 4.35Å; E168-L176 CarbonylContact O-C 3.52Å; E168-L176 VanDerWaalsContact O-CA 3.25Å; E168-L176 WeakPolarHBondContact O-CA 3.32Å; R169-L176 HydrophobicContact CB-CD2 4.07Å; R169-L176 HydrophobicContact CG-CD2 4.24Å; L176-Y209 WeakPolarHBondContact CB-O 3.45Å; L176-Y210 WeakPolarHBondContact O-CB 3.28Å
177W98.7Very high96.3Very high24 Ų2440.5 Ų40.59%0.09121%0.212CC..EExtended strand (participates in β ladder)trans-141.7148.9178.8-57.897.5000110.9L167 E168 T175 T179 R194 M211 E212L167-W177 CarbonylContact C-O 3.54Å; E168-W177 HydrophobicContact CB-CB 4.13Å; E168-W177 HydrophobicContact CG-CB 4.48Å; E168-W177 PolarHBondContact N-O 2.84Å; E168-W177 PolarHBondContact O-N 3.36Å; T175-W177 HydrophobicContact CG2-CD2 4.38Å; T175-W177 HydrophobicContact CG2-CZ2 3.75Å; W177-T179 WeakPolarHBondContact CB-OG1 3.41Å; W177-R194 HydrophobicContact CB-CG 4.06Å; W177-R194 VanDerWaalsContact CD1-CZ 3.42Å; W177-R194 HydrophobicContact CE3-CG 4.49Å; W177-R194 HydrophobicContact CG-CG 4.37Å; W177-R194 VanDerWaalsContact CG-NE 3.34Å; W177-R194 VanDerWaalsContact NE1-CZ 3.34Å; W177-M211 HydrophobicContact CH2-CB 4.46Å; W177-M211 HydrophobicContact CZ3-CB 4.15Å; W177-E212 WeakPolarHBondContact CZ3-O 3.35Å
178N98.8Very high96.3Very high2 Ų243 Ų431%0.01123%0.229CC..EExtended strand (participates in β ladder)trans-93115166.2-177.3-28.9000108.4E119 R194 K195 Y210 I231E119-N178 PolarHBondContact OE1-ND2 2.93Å; N178-R194 CarbonylContact O-C 3.47Å; N178-R194 WeakPolarHBondContact O-CA 3.44Å; N178-K195 HydrophobicContact CB-CB 3.96Å; N178-K195 HydrophobicContact CB-CD 4.14Å; N178-K195 WeakPolarHBondContact ND2-CD 3.35Å; N178-K195 PolarHBondContact O-N 3.18Å; N178-Y210 HydrophobicContact CB-CD1 4.37Å; N178-Y210 HydrophobicContact CB-CD2 3.94Å; N178-Y210 HydrophobicContact CB-CE1 4.03Å; N178-Y210 HydrophobicContact CB-CE2 3.52Å; N178-Y210 HydrophobicContact CB-CG 4.33Å; N178-Y210 PolarHBondContact ND2-OH 3.4Å; N178-Y210 VanDerWaalsContact ND2-OH 3.08Å; N178-I231 WeakPolarHBondContact OD1-CG2 3.47Å
179T98.9Very high96.3Very high0 Ų044.8 Ų44.80%024%0.241CC..EExtended strand (participates in β ladder)trans-137.2130.6-160.1-60.50000111.6A142 P165 I166 E168 W177 V181 K192 S193 R194A142-T179 HydrophobicContact CB-CG2 4.45Å; P165-T179 CarbonylContact C-O 3.51Å; P165-T179 WeakPolarHBondContact CA-O 3.35Å; I166-T179 PolarHBondContact N-O 3.45Å; I166-T179 PolarHBondContact O-N 2.88Å; E168-T179 HydrophobicContact CB-CG2 4.4Å; E168-T179 WeakPolarHBondContact CB-OG1 3.41Å; E168-T179 WeakPolarHBondContact OE2-CB 3.35Å; E168-T179 WeakPolarHBondContact OE2-CG2 3.49Å; E168-T179 PolarHBondContact OE2-OG1 3.21Å; W177-T179 WeakPolarHBondContact CB-OG1 3.41Å; T179-V181 HydrophobicContact CG2-CG2 4.36Å; T179-K192 HydrophobicContact CG2-CB 3.66Å; T179-K192 HydrophobicContact CG2-CD 4.14Å; T179-K192 HydrophobicContact CG2-CG 4.19Å; T179-S193 WeakPolarHBondContact CA-O 3.35Å; T179-R194 HydrophobicContact CG2-CG 4.33Å; T179-R194 WeakPolarHBondContact OG1-CG 3.35Å
180A98.9Very high96.3Very high0 Ų044.5 Ų44.50%025%0.245CC..EExtended strand (participates in β ladder)trans-94.5119.316600000110.2K192 S193 V229 I231A180-K192 CarbonylContact O-C 3.48Å; A180-K192 VanDerWaalsContact O-CA 3.25Å; A180-K192 WeakPolarHBondContact O-CA 3.47Å; A180-S193 PolarHBondContact N-O 3.31Å; A180-S193 PolarHBondContact O-N 2.82Å; A180-V229 HydrophobicContact CB-CB 3.9Å; A180-V229 HydrophobicContact CB-CG1 3.61Å; A180-V229 HydrophobicContact CB-CG2 4.06Å; A180-I231 HydrophobicContact CB-CD1 3.85Å; A180-I231 HydrophobicContact CB-CG1 4.26Å
181V98.9Very high96.5Very high0 Ų043 Ų430%024%0.243CC..EExtended strand (participates in β ladder)trans-93.6133173.2-173.20000108.8A142 T148 I163 S164 I166 T179 I183 V189A142-V181 HydrophobicContact CB-CG2 3.92Å; A142-V181 WeakPolarHBondContact O-CG1 3.3Å; A142-V181 WeakPolarHBondContact O-CG2 3.44Å; T148-V181 HydrophobicContact CG2-CG1 4.32Å; I163-V181 WeakPolarHBondContact CA-O 3.19Å; S164-V181 PolarHBondContact N-O 2.84Å; S164-V181 PolarHBondContact O-N 3.44Å; I166-V181 HydrophobicContact CD1-CG2 4.14Å; I166-V181 HydrophobicContact CG1-CG2 4.31Å; T179-V181 HydrophobicContact CG2-CG2 4.36Å; V181-I183 HydrophobicContact CB-CD1 4.28Å; V181-I183 HydrophobicContact CG1-CD1 3.91Å; V181-I183 HydrophobicContact CG1-CG1 4.32Å; V181-V189 HydrophobicContact CG1-CG1 3.9Å
182V98.9Very high97.1Very high0 Ų037.1 Ų37.10%021%0.214CC..EExtended strand (participates in β ladder)trans-109.1117.2176.6-174.60000109.4V161 I163 L190 G191 F220 V229V161-V182 HydrophobicContact CG1-CG1 4.07Å; I163-V182 HydrophobicContact CG1-CG1 4.44Å; I163-V182 HydrophobicContact CG1-CG2 4.38Å; V182-L190 HydrophobicContact CG1-CD1 4.12Å; V182-L190 WeakPolarHBondContact O-CB 3.49Å; V182-L190 PolarHBondContact O-N 3.02Å; V182-G191 PolarHBondContact N-O 3.24Å; V182-F220 HydrophobicContact CB-CD1 3.98Å; V182-F220 HydrophobicContact CB-CD2 4.38Å; V182-F220 HydrophobicContact CB-CE1 4.17Å; V182-F220 HydrophobicContact CB-CG 4.08Å; V182-F220 HydrophobicContact CB-CZ 4.46Å; V182-F220 HydrophobicContact CG1-CB 4.24Å; V182-F220 HydrophobicContact CG1-CD1 4.38Å; V182-F220 HydrophobicContact CG1-CG 4.18Å; V182-F220 HydrophobicContact CG2-CD1 4.07Å; V182-F220 HydrophobicContact CG2-CD2 3.65Å; V182-F220 HydrophobicContact CG2-CE1 4.06Å; V182-F220 HydrophobicContact CG2-CE2 3.64Å; V182-F220 HydrophobicContact CG2-CG 3.87Å; V182-F220 HydrophobicContact CG2-CZ 3.85Å; V182-V229 HydrophobicContact CG2-CG2 4.42Å
183I98.9Very high97.7Very high0 Ų030.4 Ų30.40%018%0.179CC..EExtended strand (participates in β ladder)trans-105.3124.4179.7-57.190.5000108.9T148 C151 Q152 A155 V161 V162 V181 S188T148-I183 HydrophobicContact CG2-CG1 4.48Å; C151-I183 HydrophobicContact CB-CD1 3.8Å; C151-I183 HydrophobicContact CB-CG1 4.23Å; Q152-I183 HydrophobicContact CB-CG2 4.4Å; Q152-I183 HydrophobicContact CG-CG1 4.43Å; Q152-I183 HydrophobicContact CG-CG2 3.86Å; A155-I183 HydrophobicContact CB-CG2 3.73Å; V161-I183 CarbonylContact C-O 3.49Å; V161-I183 VanDerWaalsContact CA-O 3.3Å; V161-I183 WeakPolarHBondContact CA-O 3.25Å; V161-I183 WeakPolarHBondContact CG1-O 3.43Å; V162-I183 HydrophobicContact CB-CB 4.31Å; V162-I183 HydrophobicContact CB-CD1 4.39Å; V162-I183 HydrophobicContact CG1-CD1 4.48Å; V162-I183 PolarHBondContact N-O 2.88Å; V162-I183 WeakPolarHBondContact O-CD1 3.3Å; V162-I183 PolarHBondContact O-N 2.83Å; V181-I183 HydrophobicContact CB-CD1 4.28Å; V181-I183 HydrophobicContact CG1-CD1 3.91Å; V181-I183 HydrophobicContact CG1-CG1 4.32Å; I183-S188 CarbonylContact C-O 3.6Å
184S98.9Very high98.2Very high15 Ų1524.6 Ų24.611%0.10515%0.152CC..  trans-61.2151.9174.3177.40000111.3A155 S186 G187 S188A155-S184 WeakPolarHBondContact CB-O 3.39Å; S184-S186 WeakPolarHBondContact CB-OG 3.23Å; S184-S186 PolarHBondContact O-N 3.04Å; S184-S186 PolarHBondContact OG-N 2.85Å; S184-S186 PolarHBondContact OG-OG 2.85Å; S184-G187 WeakPolarHBondContact O-CA 3.23Å; S184-G187 PolarHBondContact O-N 3.05Å; S184-S188 WeakPolarHBondContact CB-O 3.4Å; S184-S188 WeakPolarHBondContact CB-OG 3.38Å; S184-S188 PolarHBondContact N-O 2.93Å
185N98.8Very high98.6Very high25 Ų2521.4 Ų21.413%0.13413%0.129CC..THydrogen-bonded Turntrans-57.9-14.7168.465.3-78.9000114.6N159 M160 V161 G187 Q223 F224N159-N185 PolarHBondContact OD1-ND2 2.81Å; M160-N185 VanDerWaalsContact O-CA 3.31Å; M160-N185 WeakPolarHBondContact O-CA 3.31Å; V161-N185 HydrophobicContact CG2-CB 4.29Å; N185-G187 VanDerWaalsContact C-N 3.28Å; N185-Q223 PolarHBondContact ND2-NE2 3.48Å; N185-Q223 PolarHBondContact OD1-NE2 2.91Å; N185-F224 HydrophobicContact CB-CE2 3.98Å
186S98.6Very high98.7Very high65 Ų6520 Ų2046%0.45512%0.12SC..THydrogen-bonded Turntrans-77.7-13.3170.964.30000113.7S184 S188S184-S186 WeakPolarHBondContact CB-OG 3.23Å; S184-S186 PolarHBondContact O-N 3.04Å; S184-S186 PolarHBondContact OG-N 2.85Å; S184-S186 PolarHBondContact OG-OG 2.85Å; S186-S188 PolarHBondContact OG-N 3.37Å; S186-S188 PolarHBondContact OG-OG 2.82Å; S186-S188 VanDerWaalsContact OG-OG 3.06Å
187G98.4Very high98.7Very high9 Ų921.7 Ų21.79%0.09313%0.127CC..SBendtrans89.9-0.6-169.700000114.2Q152 S184 N185Q152-G187 WeakPolarHBondContact CB-O 3.3Å; Q152-G187 WeakPolarHBondContact CG-O 3.28Å; Q152-G187 PolarHBondContact NE2-O 2.74Å; S184-G187 WeakPolarHBondContact O-CA 3.23Å; S184-G187 PolarHBondContact O-N 3.05Å; N185-G187 VanDerWaalsContact C-N 3.28Å
188S98.6Very high98.7Very high53 Ų5321.2 Ų21.237%0.37113%0.126SC..  trans-78.7144.4173.5650000112I183 S184 S186 L190I183-S188 CarbonylContact C-O 3.6Å; S184-S188 WeakPolarHBondContact CB-O 3.4Å; S184-S188 WeakPolarHBondContact CB-OG 3.38Å; S184-S188 PolarHBondContact N-O 2.93Å; S186-S188 PolarHBondContact OG-N 3.37Å; S186-S188 PolarHBondContact OG-OG 2.82Å; S186-S188 VanDerWaalsContact OG-OG 3.06Å; S188-L190 PolarHBondContact O-N 2.95Å
189V98.8Very high98.6Very high41 Ų4121.2 Ų21.225%0.24813%0.127CC..EExtended strand (participates in β ladder)trans-73.3120.6167.9-179.50000108E143 T148 Q152 V181E143-V189 HydrophobicContact CG-CG1 4.31Å; T148-V189 HydrophobicContact CG2-CG2 3.59Å; Q152-V189 HydrophobicContact CG-CG2 4.39Å; V181-V189 HydrophobicContact CG1-CG1 3.9Å
190L98.6Very high98.5Very high73 Ų7328.6 Ų28.638%0.38215%0.154SC..EExtended strand (participates in β ladder)trans-79.8-28.8175.8-67.2-179.6000111.8V182 S188 F220 T222V182-L190 HydrophobicContact CG1-CD1 4.12Å; V182-L190 WeakPolarHBondContact O-CB 3.49Å; V182-L190 PolarHBondContact O-N 3.02Å; S188-L190 PolarHBondContact O-N 2.95Å; L190-F220 HydrophobicContact CB-CD1 4.23Å; L190-T222 HydrophobicContact CD1-CG2 3.9Å
191G98.4Very high98.2Very high18 Ų1832.5 Ų32.519%0.18618%0.178CC..EExtended strand (participates in β ladder)trans148.9-162.6179.100000111.6V182V182-G191 PolarHBondContact N-O 3.24Å
192K98.6Very high97.9Very high50 Ų5034.1 Ų34.122%0.21720%0.195CC..EExtended strand (participates in β ladder)trans-140.7157-17568.5-169.4179.7-170.20112.5A142 E168 T179 A180A142-K192 HydrophobicContact CB-CD 3.69Å; E168-K192 WeakPolarHBondContact OE1-CE 3.38Å; E168-K192 IonicContact OE1-NZ 3.38Å; E168-K192 PolarHBondContact OE1-NZ 3.32Å; T179-K192 HydrophobicContact CG2-CB 3.66Å; T179-K192 HydrophobicContact CG2-CD 4.14Å; T179-K192 HydrophobicContact CG2-CG 4.19Å; A180-K192 CarbonylContact O-C 3.48Å; A180-K192 VanDerWaalsContact O-CA 3.25Å; A180-K192 WeakPolarHBondContact O-CA 3.47Å
193S98.6Very high97.6Very high0 Ų035.2 Ų35.20%020%0.201CC..EExtended strand (participates in β ladder)trans-131.4124.4171.1-172.90000109T179 A180 I231T179-S193 WeakPolarHBondContact CA-O 3.35Å; A180-S193 PolarHBondContact N-O 3.31Å; A180-S193 PolarHBondContact O-N 2.82Å; S193-I231 WeakPolarHBondContact O-CD1 3.48Å
194R98.8Very high97.4Very high6 Ų636.4 Ų36.42%0.02321%0.206CC..EExtended strand (participates in β ladder)trans-88.3153.6177-74.1170.1176.6169.8-3.1111E168 E170 W177 N178 T179 N196 D214 T215E168-R194 IonicContact OE1-CZ 3.28Å; E168-R194 IonicContact OE1-NE 2.81Å; E168-R194 IonicContact OE1-NH2 3.5Å; E168-R194 PolarHBondContact OE1-NH2 3.01Å; E168-R194 IonicContact OE2-CZ 3.68Å; E168-R194 IonicContact OE2-NE 2.65Å; E168-R194 PolarHBondContact OE2-NE 3.21Å; E168-R194 IonicContact OE2-NH2 2.78Å; E168-R194 PolarHBondContact OE2-NH2 3.19Å; E170-R194 IonicContact OE1-CZ 3.02Å; E170-R194 IonicContact OE1-NH1 2.69Å; E170-R194 PolarHBondContact OE1-NH1 2.87Å; E170-R194 IonicContact OE1-NH2 3.84Å; E170-R194 PolarHBondContact OE1-NH2 3.35Å; W177-R194 HydrophobicContact CB-CG 4.06Å; W177-R194 VanDerWaalsContact CD1-CZ 3.42Å; W177-R194 HydrophobicContact CE3-CG 4.49Å; W177-R194 HydrophobicContact CG-CG 4.37Å; W177-R194 VanDerWaalsContact CG-NE 3.34Å; W177-R194 VanDerWaalsContact NE1-CZ 3.34Å; N178-R194 CarbonylContact O-C 3.47Å; N178-R194 WeakPolarHBondContact O-CA 3.44Å; T179-R194 HydrophobicContact CG2-CG 4.33Å; T179-R194 WeakPolarHBondContact OG1-CG 3.35Å; R194-N196 PolarHBondContact O-N 2.87Å; R194-D214 WeakPolarHBondContact CD-OD1 3.39Å; R194-D214 IonicContact CZ-OD1 2.95Å; R194-D214 IonicContact NE-OD1 3.8Å; R194-D214 IonicContact NH1-OD1 2.71Å; R194-D214 PolarHBondContact NH1-OD1 3.48Å; R194-D214 IonicContact NH1-OD2 2.61Å; R194-D214 PolarHBondContact NH1-OD2 3Å; R194-D214 VanDerWaalsContact NH1-OD2 3.16Å; R194-T215 HydrophobicContact CB-CG2 4.13Å; R194-T215 HydrophobicContact CG-CG2 4.06Å; R194-T215 PolarHBondContact N-OG1 3.29Å
195K98.8Very high97.2Very high3 Ų336.8 Ų36.81%0.01321%0.207CC..  trans-67.9111.3-176.9-172.5172.7-174.8170.30111E119 N178 H197 I198 E206 G213 I231E119-K195 IonicContact OE1-NZ 2.8Å; E119-K195 PolarHBondContact OE1-NZ 3.38Å; N178-K195 HydrophobicContact CB-CB 3.96Å; N178-K195 HydrophobicContact CB-CD 4.14Å; N178-K195 WeakPolarHBondContact ND2-CD 3.35Å; N178-K195 PolarHBondContact O-N 3.18Å; K195-H197 WeakPolarHBondContact CE-O 3.26Å; K195-H197 PolarHBondContact O-N 3.1Å; K195-I198 HydrophobicContact CB-CD1 3.86Å; K195-I198 HydrophobicContact CD-CD1 4Å; K195-I198 HydrophobicContact CG-CD1 3.8Å; K195-I198 VanDerWaalsContact O-CD1 3.28Å; K195-I198 WeakPolarHBondContact O-CD1 3.24Å; K195-E206 WeakPolarHBondContact CE-OE2 3.38Å; K195-E206 IonicContact NZ-OE1 3.71Å; K195-E206 PolarHBondContact NZ-OE1 3.48Å; K195-E206 IonicContact NZ-OE2 2.79Å; K195-E206 PolarHBondContact NZ-OE2 2.88Å; K195-G213 PolarHBondContact O-N 2.74Å; K195-I231 HydrophobicContact CB-CB 4.1Å; K195-I231 HydrophobicContact CB-CD1 4.23Å; K195-I231 HydrophobicContact CB-CG2 4.17Å; K195-I231 HydrophobicContact CD-CB 4.34Å; K195-I231 HydrophobicContact CD-CG2 3.82Å; K195-I231 HydrophobicContact CG-CB 3.94Å; K195-I231 HydrophobicContact CG-CG2 3.97Å
196N98.8Very high97.2Very high20 Ų2035.6 Ų35.611%0.10720%0.2CC..SBendtrans-67.1-32.8-177.2-71.7-26000113.9R194 G216 H217 N240 Y244R194-N196 PolarHBondContact O-N 2.87Å; N196-G216 PolarHBondContact ND2-O 3.43Å; N196-G216 PolarHBondContact OD1-O 3.42Å; N196-H217 PolarHBondContact ND2-CD2 3.32Å; N196-H217 PolarHBondContact ND2-NE2 2.79Å; N196-N240 PolarHBondContact ND2-OD1 2.83Å; N196-Y244 PolarHBondContact ND2-OH 3.32Å
197H98.7Very high97Very high52 Ų5234.3 Ų34.324%0.24119%0.192CC..SBendtrans-123.2115.3-175.1-62.3-78.6000110.5K195 Y233 H237K195-H197 WeakPolarHBondContact CE-O 3.26Å; K195-H197 PolarHBondContact O-N 3.1Å; H197-Y233 HydrophobicContact CB-CD1 4.16Å; H197-H237 AromaticContact CD2-CG 3.71Å; H197-H237 AromaticContact CD2-ND1 3.87Å; H197-H237 AromaticContact CE1-CD2 3.52Å; H197-H237 AromaticContact CE1-CG 3.75Å; H197-H237 AromaticContact CG-CD2 3.87Å; H197-H237 AromaticContact CG-CE1 3.71Å; H197-H237 AromaticContact CG-CG 3.68Å; H197-H237 AromaticContact CG-ND1 3.57Å; H197-H237 AromaticContact CG-NE2 3.89Å; H197-H237 AromaticContact ND1-CD2 3.43Å; H197-H237 PolarHBondContact ND1-CD2 3.03Å; H197-H237 AromaticContact ND1-CE1 3.8Å; H197-H237 AromaticContact ND1-CG 3.71Å; H197-H237 AromaticContact ND1-ND1 3.92Å; H197-H237 AromaticContact ND1-NE2 3.5Å; H197-H237 PolarHBondContact ND1-NE2 2.78Å; H197-H237 AromaticContact NE2-CD2 3.98Å; H197-H237 AromaticContact NE2-CG 3.74Å
198I98.5Very high97Very high14 Ų1436.7 Ų36.77%0.07220%0.204CC..  trans-100.1122.4-175.7-49.1-50.2000110.2K195 E206 Y210 E212K195-I198 HydrophobicContact CB-CD1 3.86Å; K195-I198 HydrophobicContact CD-CD1 4Å; K195-I198 HydrophobicContact CG-CD1 3.8Å; K195-I198 VanDerWaalsContact O-CD1 3.28Å; K195-I198 WeakPolarHBondContact O-CD1 3.24Å; I198-E206 HydrophobicContact CG2-CB 3.8Å; I198-Y210 HydrophobicContact CD1-CD2 3.78Å; I198-Y210 HydrophobicContact CD1-CE2 3.95Å; I198-Y210 HydrophobicContact CG1-CD2 4.36Å; I198-Y210 HydrophobicContact CG2-CD2 4.09Å; I198-Y210 HydrophobicContact CG2-CE2 4.04Å; I198-E212 HydrophobicContact CG1-CB 4.46Å; I198-E212 HydrophobicContact CG1-CG 4.14Å
199P97.1Very high96.9Very high2 Ų234.8 Ų34.81%0.01319%0.189CC..  trans-70.4152.917626.9-29.3000112V201 F204 E206 S207 Y233P199-V201 HydrophobicContact CB-CG1 4.3Å; P199-F204 CarbonylContact C-O 3.59Å; P199-F204 HydrophobicContact CB-CB 4.05Å; P199-F204 HydrophobicContact CG-CB 4.08Å; P199-E206 VanDerWaalsContact CD-CD 3.48Å; P199-E206 VanDerWaalsContact CD-OE2 3.26Å; P199-E206 WeakPolarHBondContact CD-OE2 3.34Å; P199-E206 HydrophobicContact CG-CB 3.96Å; P199-E206 HydrophobicContact CG-CG 3.77Å; P199-E206 WeakPolarHBondContact CG-OE1 3.42Å; P199-S207 PolarHBondContact O-N 2.83Å; P199-Y233 HydrophobicContact CB-CD1 4.03Å; P199-Y233 HydrophobicContact CB-CD2 3.61Å; P199-Y233 HydrophobicContact CB-CE1 4.32Å; P199-Y233 HydrophobicContact CB-CE2 3.95Å; P199-Y233 HydrophobicContact CB-CG 3.67Å; P199-Y233 HydrophobicContact CG-CD2 4.26Å; P199-Y233 HydrophobicContact CG-CG 4.04Å
200R95.4Very high96.9Very high155 Ų15533.1 Ų33.159%0.58518%0.178SC*.  trans-13324173.7-48.9-167.1172.4116.97.2111.6S207 E212R200-S207 WeakPolarHBondContact CG-OG 3.42Å; R200-E212 IonicContact CZ-OE1 3.24Å; R200-E212 IonicContact NH2-OE1 2.82Å; R200-E212 PolarHBondContact NH2-OE1 3.35Å
201V92.8Very high96.8Very high81 Ų8134.8 Ų34.849%0.49119%0.186SC..BIsolated β-bridgetrans-110.7123.2-164.261.90000112P199 D203 F204 Y233P199-V201 HydrophobicContact CB-CG1 4.3Å; V201-D203 PolarHBondContact O-N 3.41Å; V201-F204 HydrophobicContact CG1-CB 4.46Å; V201-F204 WeakPolarHBondContact O-CB 3.15Å; V201-F204 PolarHBondContact O-N 2.95Å; V201-Y233 HydrophobicContact CG1-CE2 4.3Å
202G92.3Very high96.8Very high35 Ų3537.9 Ų37.936%0.36120%0.195SC..THydrogen-bonded Turntrans58-124.3176.300000113F204 N205 S299G202-F204 VanDerWaalsContact C-N 3.27Å; G202-F204 PolarHBondContact O-N 2.84Å; G202-N205 PolarHBondContact O-ND2 3.07Å; G202-N205 PolarHBondContact O-OD1 3.14Å; G202-S299 WeakPolarHBondContact CA-O 3.33Å
203D94Very high96.8Very high22 Ų2236.3 Ų36.312%0.11819%0.193CC..THydrogen-bonded Turntrans-76.8-11.4177.5-64.2-51.3000113.6C128 V201 N205 F297 S299 F309C128-D203 WeakPolarHBondContact CA-O 3.34Å; C128-D203 HydrophobicContact CB-CB 3.97Å; C128-D203 PolarHBondContact N-O 3.24Å; V201-D203 PolarHBondContact O-N 3.41Å; D203-N205 PolarHBondContact O-N 2.96Å; D203-N205 PolarHBondContact O-ND2 3.05Å; D203-F297 WeakPolarHBondContact OD1-CE2 3.47Å; D203-S299 WeakPolarHBondContact OD1-CA 3.49Å; D203-S299 VanDerWaalsContact OD1-CB 3.25Å; D203-S299 WeakPolarHBondContact OD1-CB 3.21Å; D203-S299 PolarHBondContact OD1-OG 3.38Å; D203-S299 WeakPolarHBondContact OD2-CB 3.27Å; D203-S299 PolarHBondContact OD2-OG 3.46Å; D203-F309 HydrophobicContact CB-CD2 4.32Å; D203-F309 HydrophobicContact CB-CE2 3.8Å; D203-F309 HydrophobicContact CB-CZ 4.06Å
204F94.4Very high96.7Very high26 Ų2641.1 Ų41.111%0.11422%0.219CC..BIsolated β-bridgetrans-84.261.8177.6-58.9-90.6000110.9F125 P199 V201 G202 E206 A257 V259 F309F125-F204 HydrophobicContact CD1-CE1 4.38Å; F125-F204 AromaticContact CE1-CD1 3.59Å; F125-F204 HydrophobicContact CE1-CD1 3.59Å; F125-F204 AromaticContact CE1-CE1 3.71Å; F125-F204 HydrophobicContact CE1-CE1 3.71Å; F125-F204 HydrophobicContact CZ-CD1 4.21Å; F125-F204 HydrophobicContact CZ-CE1 4.4Å; P199-F204 CarbonylContact C-O 3.59Å; P199-F204 HydrophobicContact CB-CB 4.05Å; P199-F204 HydrophobicContact CG-CB 4.08Å; V201-F204 HydrophobicContact CG1-CB 4.46Å; V201-F204 WeakPolarHBondContact O-CB 3.15Å; V201-F204 PolarHBondContact O-N 2.95Å; G202-F204 VanDerWaalsContact C-N 3.27Å; G202-F204 PolarHBondContact O-N 2.84Å; F204-E206 PolarHBondContact O-N 3.17Å; F204-A257 WeakPolarHBondContact CE1-O 3.46Å; F204-V259 HydrophobicContact CE2-CG2 4.06Å; F204-V259 HydrophobicContact CZ-CG2 4.08Å; F204-F309 HydrophobicContact CD1-CZ 4.16Å; F204-F309 AromaticContact CE1-CE1 3.95Å; F204-F309 HydrophobicContact CE1-CE1 3.95Å; F204-F309 AromaticContact CE1-CZ 3.68Å; F204-F309 HydrophobicContact CE1-CZ 3.68Å; F204-F309 HydrophobicContact CE2-CE1 4.39Å; F204-F309 HydrophobicContact CE2-CZ 4.22Å; F204-F309 AromaticContact CZ-CE1 3.69Å; F204-F309 HydrophobicContact CZ-CE1 3.69Å; F204-F309 AromaticContact CZ-CZ 3.72Å; F204-F309 HydrophobicContact CZ-CZ 3.72Å
205N94.8Very high96.7Very high22 Ų2242.6 Ų42.612%0.11823%0.229CC..  trans-80.738.6-178.8-61.6-80.8000112.9F127 R130 G202 D203 S207 T208F127-N205 WeakPolarHBondContact O-CB 3.14Å; R130-N205 HydrophobicContact CG-CB 3.87Å; R130-N205 PolarHBondContact NE-ND2 2.91Å; R130-N205 VanDerWaalsContact NE-ND2 3.19Å; R130-N205 PolarHBondContact NE-OD1 3.42Å; G202-N205 PolarHBondContact O-ND2 3.07Å; G202-N205 PolarHBondContact O-OD1 3.14Å; D203-N205 PolarHBondContact O-N 2.96Å; D203-N205 PolarHBondContact O-ND2 3.05Å; N205-S207 VanDerWaalsContact C-N 3.28Å; N205-S207 PolarHBondContact O-N 2.68Å; N205-T208 WeakPolarHBondContact O-CB 3.34Å; N205-T208 PolarHBondContact O-N 2.83Å; N205-T208 PolarHBondContact O-OG1 3.26Å
206E97.6Very high96.6Very high0 Ų044 Ų440%024%0.244CC..G310 helixtrans-61.5-33.6-172.2-69.1-175.3-14300113.3F127 K195 I198 P199 F204 T208 Y209 Y210F127-E206 HydrophobicContact CB-CG 4.36Å; F127-E206 HydrophobicContact CD2-CG 3.85Å; F127-E206 HydrophobicContact CG-CG 4.27Å; K195-E206 WeakPolarHBondContact CE-OE2 3.38Å; K195-E206 IonicContact NZ-OE1 3.71Å; K195-E206 PolarHBondContact NZ-OE1 3.48Å; K195-E206 IonicContact NZ-OE2 2.79Å; K195-E206 PolarHBondContact NZ-OE2 2.88Å; I198-E206 HydrophobicContact CG2-CB 3.8Å; P199-E206 VanDerWaalsContact CD-CD 3.48Å; P199-E206 VanDerWaalsContact CD-OE2 3.26Å; P199-E206 WeakPolarHBondContact CD-OE2 3.34Å; P199-E206 HydrophobicContact CG-CB 3.96Å; P199-E206 HydrophobicContact CG-CG 3.77Å; P199-E206 WeakPolarHBondContact CG-OE1 3.42Å; F204-E206 PolarHBondContact O-N 3.17Å; E206-T208 PolarHBondContact O-N 3.14Å; E206-Y209 WeakPolarHBondContact O-CA 3.46Å; E206-Y209 WeakPolarHBondContact O-CB 3.44Å; E206-Y209 PolarHBondContact O-N 3.5Å; E206-Y210 HydrophobicContact CB-CE2 3.71Å; E206-Y210 HydrophobicContact CG-CE2 4.34Å; E206-Y210 VanDerWaalsContact CG-OH 3.24Å; E206-Y210 WeakPolarHBondContact CG-OH 3.25Å; E206-Y210 PolarHBondContact O-N 3.16Å; E206-Y210 VanDerWaalsContact OE2-CE2 3.31Å; E206-Y210 WeakPolarHBondContact OE2-CE2 3.43Å; E206-Y210 PolarHBondContact OE2-OH 3.11Å
207S96Very high96.6Very high39 Ų3945.2 Ų45.227%0.27325%0.249SC..G310 helixtrans-63.4-12.2176.967.90000114.2P199 R200 N205P199-S207 PolarHBondContact O-N 2.83Å; R200-S207 WeakPolarHBondContact CG-OG 3.42Å; N205-S207 VanDerWaalsContact C-N 3.28Å; N205-S207 PolarHBondContact O-N 2.68Å
208T97.1Very high96.6Very high59 Ų5945 Ų4536%0.36225%0.252SS..G310 helixtrans-70-27.4170.3-47.50000110.8K132 N205 E206K132-T208 PolarHBondContact NZ-O 2.87Å; N205-T208 WeakPolarHBondContact O-CB 3.34Å; N205-T208 PolarHBondContact O-N 2.83Å; N205-T208 PolarHBondContact O-OG1 3.26Å; E206-T208 PolarHBondContact O-N 3.14Å
209Y97.9Very high96.6Very high13 Ų1346.1 Ų46.15%0.05126%0.259CS..THydrogen-bonded Turntrans-100.6-41.2-171.5-65.6-95.8000112.9F127 R130 E131 K132 T136 L176 E206F127-Y209 HydrophobicContact CB-CD2 4.2Å; F127-Y209 HydrophobicContact CB-CE2 3.94Å; F127-Y209 HydrophobicContact CD1-CD1 4.02Å; F127-Y209 AromaticContact CD1-CD2 3.56Å; F127-Y209 HydrophobicContact CD1-CD2 3.56Å; F127-Y209 HydrophobicContact CD1-CE1 4.16Å; F127-Y209 AromaticContact CD1-CE2 3.72Å; F127-Y209 HydrophobicContact CD1-CE2 3.72Å; F127-Y209 AromaticContact CD1-CG 3.72Å; F127-Y209 HydrophobicContact CD1-CG 3.72Å; F127-Y209 HydrophobicContact CE1-CD1 4.25Å; F127-Y209 HydrophobicContact CE1-CD2 4.38Å; F127-Y209 HydrophobicContact CE1-CG 4.11Å; F127-Y209 HydrophobicContact CG-CD2 4.22Å; F127-Y209 HydrophobicContact CG-CE2 4.29Å; R130-Y209 WeakPolarHBondContact CA-OH 3.21Å; R130-Y209 PolarHBondContact N-OH 3.25Å; E131-Y209 PolarHBondContact N-OH 2.93Å; E131-Y209 VanDerWaalsContact O-CE1 3.26Å; E131-Y209 WeakPolarHBondContact O-CE1 3.37Å; E131-Y209 PolarHBondContact O-OH 3.37Å; K132-Y209 HydrophobicContact CD-CE1 4.5Å; T136-Y209 HydrophobicContact CG2-CD1 4.14Å; T136-Y209 HydrophobicContact CG2-CE1 4.34Å; L176-Y209 WeakPolarHBondContact CB-O 3.45Å; E206-Y209 WeakPolarHBondContact O-CA 3.46Å; E206-Y209 WeakPolarHBondContact O-CB 3.44Å; E206-Y209 PolarHBondContact O-N 3.5Å
210Y97.9Very high96.7Very high5 Ų546.7 Ų46.72%0.0226%0.261CS..  trans-147.6159.8-173.840.2-98.1000112.9F127 L167 L176 N178 I198 E206F127-Y210 AromaticContact CE1-CE1 3.94Å; F127-Y210 HydrophobicContact CE1-CE1 3.94Å; F127-Y210 HydrophobicContact CE2-CE1 4.24Å; F127-Y210 VanDerWaalsContact CE2-OH 3.32Å; F127-Y210 WeakPolarHBondContact CE2-OH 3.29Å; F127-Y210 AromaticContact CZ-CE1 3.77Å; F127-Y210 HydrophobicContact CZ-CE1 3.77Å; L167-Y210 HydrophobicContact CD1-CD1 3.84Å; L167-Y210 HydrophobicContact CD1-CE1 3.96Å; L176-Y210 WeakPolarHBondContact O-CB 3.28Å; N178-Y210 HydrophobicContact CB-CD1 4.37Å; N178-Y210 HydrophobicContact CB-CD2 3.94Å; N178-Y210 HydrophobicContact CB-CE1 4.03Å; N178-Y210 HydrophobicContact CB-CE2 3.52Å; N178-Y210 HydrophobicContact CB-CG 4.33Å; N178-Y210 PolarHBondContact ND2-OH 3.4Å; N178-Y210 VanDerWaalsContact ND2-OH 3.08Å; I198-Y210 HydrophobicContact CD1-CD2 3.78Å; I198-Y210 HydrophobicContact CD1-CE2 3.95Å; I198-Y210 HydrophobicContact CG1-CD2 4.36Å; I198-Y210 HydrophobicContact CG2-CD2 4.09Å; I198-Y210 HydrophobicContact CG2-CE2 4.04Å; E206-Y210 HydrophobicContact CB-CE2 3.71Å; E206-Y210 HydrophobicContact CG-CE2 4.34Å; E206-Y210 VanDerWaalsContact CG-OH 3.24Å; E206-Y210 WeakPolarHBondContact CG-OH 3.25Å; E206-Y210 PolarHBondContact O-N 3.16Å; E206-Y210 VanDerWaalsContact OE2-CE2 3.31Å; E206-Y210 WeakPolarHBondContact OE2-CE2 3.43Å; E206-Y210 PolarHBondContact OE2-OH 3.11Å
211M96.9Very high96.9Very high109 Ų10944.9 Ų44.954%0.53726%0.259SS..PPolyproline II helixtrans-96.1167.6-178.8-62.4-59.3-66.200112.1W177 G213W177-M211 HydrophobicContact CH2-CB 4.46Å; W177-M211 HydrophobicContact CZ3-CB 4.15Å; M211-G213 PolarHBondContact O-N 3.09Å
212E98.6Very high97.1Very high83 Ų8341.7 Ų41.739%0.38824%0.24SC..PPolyproline II helixtrans-54.9132.7172.5-63.586.6169.800111.4W177 I198 R200W177-E212 WeakPolarHBondContact CZ3-O 3.35Å; I198-E212 HydrophobicContact CG1-CB 4.46Å; I198-E212 HydrophobicContact CG1-CG 4.14Å; R200-E212 IonicContact CZ-OE1 3.24Å; R200-E212 IonicContact NH2-OE1 2.82Å; R200-E212 PolarHBondContact NH2-OE1 3.35Å
213G97.7Very high97.4Very high17 Ų1745.8 Ų45.818%0.17525%0.25CC..PPolyproline II helixtrans-61.7147.8-174.100000114.7K195 M211K195-G213 PolarHBondContact O-N 2.74Å; M211-G213 PolarHBondContact O-N 3.09Å
214D96.8Very high97.6Very high101 Ų10146.4 Ų46.454%0.5425%0.251SS..SBendtrans-108.82-176.761.1-9.3000113.7R194 G216R194-D214 WeakPolarHBondContact CD-OD1 3.39Å; R194-D214 IonicContact CZ-OD1 2.95Å; R194-D214 IonicContact NE-OD1 3.8Å; R194-D214 IonicContact NH1-OD1 2.71Å; R194-D214 PolarHBondContact NH1-OD1 3.48Å; R194-D214 IonicContact NH1-OD2 2.61Å; R194-D214 PolarHBondContact NH1-OD2 3Å; R194-D214 VanDerWaalsContact NH1-OD2 3.16Å; D214-G216 VanDerWaalsContact C-N 3.32Å; D214-G216 PolarHBondContact O-N 3.33Å
215T97.8Very high97.8Very high37 Ų3745.2 Ų45.223%0.22725%0.246CC..SBendtrans-84.6-3.7-178.957.20000113.9R194 T218R194-T215 HydrophobicContact CB-CG2 4.13Å; R194-T215 HydrophobicContact CG-CG2 4.06Å; R194-T215 PolarHBondContact N-OG1 3.29Å; T215-T218 PolarHBondContact O-OG1 2.88Å; T215-T218 VanDerWaalsContact O-OG1 3.11Å
216G98Very high98Very high33 Ų3347.8 Ų47.834%0.3426%0.257SS..  trans63.4-139.4-174.900000113.1N196 D214N196-G216 PolarHBondContact ND2-O 3.43Å; N196-G216 PolarHBondContact OD1-O 3.42Å; D214-G216 VanDerWaalsContact C-N 3.32Å; D214-G216 PolarHBondContact O-N 3.33Å
217H98.8Very high98.1Very high45 Ų4547.8 Ų47.821%0.20826%0.257CS..SBendtrans-115.759.9-173.3-59.383.3000111.6N196 N240 M243 Y244 N247N196-H217 PolarHBondContact ND2-CD2 3.32Å; N196-H217 PolarHBondContact ND2-NE2 2.79Å; H217-N240 PolarHBondContact CD2-O 2.76Å; H217-N240 PolarHBondContact CD2-OD1 3.35Å; H217-N240 PolarHBondContact NE2-OD1 3.45Å; H217-M243 HydrophobicContact CB-CB 3.94Å; H217-M243 WeakPolarHBondContact CD2-CB 2.9Å; H217-Y244 HydrophobicContact CB-CD1 3.71Å; H217-Y244 HydrophobicContact CB-CE1 3.79Å; H217-Y244 HydrophobicContact CB-CG 4.22Å; H217-Y244 AromaticContact CD2-CE2 3.9Å; H217-N247 PolarHBondContact O-ND2 2.89Å
218T98.4Very high98.2Very high48 Ų4846 Ų4629%0.29424%0.244SC..  trans-60.2135.5-174.1-52.50000112.9T215 F220T215-T218 PolarHBondContact O-OG1 2.88Å; T215-T218 VanDerWaalsContact O-OG1 3.11Å; T218-F220 HydrophobicContact CG2-CD1 4.32Å; T218-F220 HydrophobicContact CG2-CD2 4.36Å; T218-F220 HydrophobicContact CG2-CE1 3.8Å; T218-F220 HydrophobicContact CG2-CE2 3.85Å; T218-F220 HydrophobicContact CG2-CZ 3.54Å
219V98.9Very high98.3Very high36 Ų3643.1 Ų43.122%0.21823%0.227CC..  trans-116.5125.7171.4177.60000108.8K226 L227 A228 N247 A249V219-K226 HydrophobicContact CG1-CB 3.73Å; V219-K226 HydrophobicContact CG1-CG 4.38Å; V219-L227 CarbonylContact C-O 3.49Å; V219-L227 WeakPolarHBondContact CA-O 3.33Å; V219-A228 HydrophobicContact CG2-CB 4.35Å; V219-N247 HydrophobicContact CB-CB 4.43Å; V219-N247 HydrophobicContact CG2-CB 3.5Å; V219-N247 VanDerWaalsContact CG2-CB 3.5Å; V219-A249 HydrophobicContact CG1-CB 4.39Å; V219-A249 HydrophobicContact CG2-CB 4.02Å
220F98.9Very high98.4Very high14 Ų1442.5 Ų42.56%0.06122%0.224CC..EExtended strand (participates in β ladder)trans-97.5113.2-177-57-90.1000109.5V182 L190 T218 T222 K226 L227V182-F220 HydrophobicContact CB-CD1 3.98Å; V182-F220 HydrophobicContact CB-CD2 4.38Å; V182-F220 HydrophobicContact CB-CE1 4.17Å; V182-F220 HydrophobicContact CB-CG 4.08Å; V182-F220 HydrophobicContact CB-CZ 4.46Å; V182-F220 HydrophobicContact CG1-CB 4.24Å; V182-F220 HydrophobicContact CG1-CD1 4.38Å; V182-F220 HydrophobicContact CG1-CG 4.18Å; V182-F220 HydrophobicContact CG2-CD1 4.07Å; V182-F220 HydrophobicContact CG2-CD2 3.65Å; V182-F220 HydrophobicContact CG2-CE1 4.06Å; V182-F220 HydrophobicContact CG2-CE2 3.64Å; V182-F220 HydrophobicContact CG2-CG 3.87Å; V182-F220 HydrophobicContact CG2-CZ 3.85Å; L190-F220 HydrophobicContact CB-CD1 4.23Å; T218-F220 HydrophobicContact CG2-CD1 4.32Å; T218-F220 HydrophobicContact CG2-CD2 4.36Å; T218-F220 HydrophobicContact CG2-CE1 3.8Å; T218-F220 HydrophobicContact CG2-CE2 3.85Å; T218-F220 HydrophobicContact CG2-CZ 3.54Å; F220-T222 PolarHBondContact O-N 2.69Å; F220-K226 WeakPolarHBondContact O-CA 3.37Å; F220-L227 PolarHBondContact N-O 3.4Å; F220-L227 PolarHBondContact O-N 3.4Å
221Q98.8Very high98.4Very high118 Ų11842.4 Ų42.455%0.55122%0.224SC*.EExtended strand (participates in β ladder)trans-76.6119.4172.2-179.867.661.400109.4
222T98.8Very high98.5Very high14 Ų1437.3 Ų37.39%0.08620%0.199CC..EExtended strand (participates in β ladder)trans-119.7172.317375.90000110.1V161 L190 F220 F224 G225 L227V161-T222 HydrophobicContact CG1-CG2 4.31Å; V161-T222 HydrophobicContact CG2-CG2 4Å; L190-T222 HydrophobicContact CD1-CG2 3.9Å; F220-T222 PolarHBondContact O-N 2.69Å; T222-F224 PolarHBondContact O-N 2.72Å; T222-F224 PolarHBondContact OG1-N 3.01Å; T222-F224 VanDerWaalsContact OG1-N 3.07Å; T222-G225 PolarHBondContact N-O 3.35Å; T222-G225 PolarHBondContact O-N 2.81Å; T222-G225 PolarHBondContact OG1-N 2.6Å; T222-G225 PolarHBondContact OG1-O 3.46Å; T222-L227 HydrophobicContact CG2-CD1 3.68Å; T222-L227 HydrophobicContact CG2-CG 4.1Å
223Q97.8Very high98.5Very high121 Ų12136.6 Ų36.657%0.56519%0.193SC*.THydrogen-bonded Turntrans-65.4-17.9170.367.6175.2-4.200112.8N185N185-Q223 PolarHBondContact ND2-NE2 3.48Å; N185-Q223 PolarHBondContact OD1-NE2 2.91Å
224F98.7Very high98.5Very high34 Ų3435.8 Ų35.815%0.14919%0.185CC..THydrogen-bonded Turntrans-101.67.7-176.6-55.4-54.4000113.5V72 N113 V114 V161 N185 T222 L343V72-F224 HydrophobicContact CG2-CB 3.84Å; N113-F224 HydrophobicContact CB-CB 4.3Å; N113-F224 HydrophobicContact CB-CD1 3.68Å; N113-F224 HydrophobicContact CB-CD2 3.79Å; N113-F224 HydrophobicContact CB-CE1 3.79Å; N113-F224 HydrophobicContact CB-CE2 3.89Å; N113-F224 HydrophobicContact CB-CG 3.68Å; N113-F224 HydrophobicContact CB-CZ 3.87Å; N113-F224 VanDerWaalsContact O-CD2 3.3Å; N113-F224 WeakPolarHBondContact O-CD2 3.23Å; N113-F224 VanDerWaalsContact O-CE2 3.28Å; N113-F224 WeakPolarHBondContact O-CE2 3.35Å; V114-F224 HydrophobicContact CG2-CB 3.82Å; V114-F224 HydrophobicContact CG2-CD2 4.17Å; V114-F224 HydrophobicContact CG2-CG 4.38Å; V161-F224 HydrophobicContact CG2-CD2 3.77Å; V161-F224 HydrophobicContact CG2-CE2 4.2Å; N185-F224 HydrophobicContact CB-CE2 3.98Å; T222-F224 PolarHBondContact O-N 2.72Å; T222-F224 PolarHBondContact OG1-N 3.01Å; T222-F224 VanDerWaalsContact OG1-N 3.07Å; F224-L343 WeakPolarHBondContact O-CD1 3.32Å
225G98.6Very high98.6Very high1 Ų131.6 Ų31.61%0.0116%0.161CC..EExtended strand (participates in β ladder)trans124.9176.7179.100000113.6T222 E250T222-G225 PolarHBondContact N-O 3.35Å; T222-G225 PolarHBondContact O-N 2.81Å; T222-G225 PolarHBondContact OG1-N 2.6Å; T222-G225 PolarHBondContact OG1-O 3.46Å; G225-E250 VanDerWaalsContact CA-OE2 3.3Å; G225-E250 WeakPolarHBondContact CA-OE2 3.5Å
226K98.9Very high98.7Very high77 Ų7732.1 Ų32.134%0.33516%0.161SC..EExtended strand (participates in β ladder)trans-88112.2175.1-68.4178-179.3-176.30110.5V219 F220 G248 E250 I251V219-K226 HydrophobicContact CG1-CB 3.73Å; V219-K226 HydrophobicContact CG1-CG 4.38Å; F220-K226 WeakPolarHBondContact O-CA 3.37Å; K226-G248 WeakPolarHBondContact CB-O 3.42Å; K226-G248 WeakPolarHBondContact CD-O 3.26Å; K226-E250 HydrophobicContact CB-CB 4.37Å; K226-E250 HydrophobicContact CB-CG 4.05Å; K226-E250 PolarHBondContact N-OE2 3.21Å; K226-E250 PolarHBondContact O-N 2.86Å; K226-I251 PolarHBondContact O-N 2.87Å
227L98.9Very high98.7Very high0 Ų033.3 Ų33.30%016%0.158CC..EExtended strand (participates in β ladder)trans-106.4144.3-172.9-45.4180000110.5V114 V161 I163 V219 F220 T222 I251 F253V114-L227 HydrophobicContact CG1-CD1 3.7Å; V114-L227 HydrophobicContact CG2-CD1 4.07Å; V114-L227 HydrophobicContact CG2-CD2 4.48Å; V161-L227 HydrophobicContact CG1-CD1 3.84Å; I163-L227 HydrophobicContact CD1-CD1 4.4Å; V219-L227 CarbonylContact C-O 3.49Å; V219-L227 WeakPolarHBondContact CA-O 3.33Å; F220-L227 PolarHBondContact N-O 3.4Å; F220-L227 PolarHBondContact O-N 3.4Å; T222-L227 HydrophobicContact CG2-CD1 3.68Å; T222-L227 HydrophobicContact CG2-CG 4.1Å; L227-I251 CarbonylContact C-O 3.56Å; L227-I251 WeakPolarHBondContact CA-O 3.4Å; L227-I251 HydrophobicContact CD2-CB 4.04Å; L227-I251 HydrophobicContact CD2-CD1 3.84Å; L227-I251 HydrophobicContact CD2-CG1 4.21Å; L227-F253 HydrophobicContact CD2-CE2 4.29Å
228A98.9Very high98.7Very high0 Ų035.4 Ų35.40%018%0.175CC..EExtended strand (participates in β ladder)trans-135.1163.1169.100000110.6V219 Y244 A249 I251 I252 F253V219-A228 HydrophobicContact CG2-CB 4.35Å; A228-Y244 HydrophobicContact CB-CD1 3.53Å; A228-Y244 HydrophobicContact CB-CE1 4.18Å; A228-Y244 HydrophobicContact CB-CG 3.82Å; A228-A249 HydrophobicContact CB-CB 3.8Å; A228-I251 PolarHBondContact N-O 3.45Å; A228-I252 HydrophobicContact CB-CD1 4.42Å; A228-I252 HydrophobicContact CB-CG1 4.15Å; A228-I252 HydrophobicContact CB-CG2 4.25Å; A228-I252 WeakPolarHBondContact O-CA 3.12Å; A228-F253 PolarHBondContact O-N 3.42Å
229V98.9Very high98.7Very high0 Ų037.9 Ų37.90%019%0.186CC..EExtended strand (participates in β ladder)trans-130.7106.4179.8-165.20000109.9I163 A180 V182 I231 Y244 F253 P255I163-V229 HydrophobicContact CD1-CG2 4.39Å; I163-V229 HydrophobicContact CG2-CG1 4.39Å; I163-V229 HydrophobicContact CG2-CG2 3.67Å; A180-V229 HydrophobicContact CB-CB 3.9Å; A180-V229 HydrophobicContact CB-CG1 3.61Å; A180-V229 HydrophobicContact CB-CG2 4.06Å; V182-V229 HydrophobicContact CG2-CG2 4.42Å; V229-I231 HydrophobicContact CG1-CG1 3.94Å; V229-Y244 PolarHBondContact O-OH 3.16Å; V229-F253 CarbonylContact C-O 3.55Å; V229-F253 WeakPolarHBondContact CA-O 3.41Å; V229-P255 HydrophobicContact CG1-CG 3.66Å
230N98.9Very high98.7Very high0 Ų036.3 Ų36.30%018%0.176CC..  trans-91.1102.1171.2-179.1-7.2000108.8C232 G234 N240 W241 Y244 I252 F253 N254N230-C232 PolarHBondContact O-N 3.48Å; N230-G234 PolarHBondContact ND2-O 2.75Å; N230-G234 WeakPolarHBondContact OD1-CA 3.45Å; N230-G234 PolarHBondContact OD1-O 3.33Å; N230-N240 VanDerWaalsContact CG-ND2 3.28Å; N230-N240 PolarHBondContact OD1-ND2 3.19Å; N230-W241 HydrophobicContact CB-CD2 4.42Å; N230-W241 HydrophobicContact CB-CE3 4.05Å; N230-W241 HydrophobicContact CB-CH2 4.23Å; N230-W241 HydrophobicContact CB-CZ3 3.96Å; N230-W241 WeakPolarHBondContact ND2-CZ2 3.39Å; N230-W241 PolarHBondContact ND2-NE1 2.96Å; N230-Y244 HydrophobicContact CB-CD2 4.29Å; N230-Y244 HydrophobicContact CB-CE2 3.89Å; N230-I252 HydrophobicContact CB-CG2 3.9Å; N230-F253 PolarHBondContact N-O 3.02Å; N230-N254 VanDerWaalsContact O-CA 3.24Å; N230-N254 WeakPolarHBondContact O-CA 3.47Å; N230-N254 PolarHBondContact O-ND2 3Å
231I98.9Very high98.7Very high3 Ų335.8 Ų35.82%0.01517%0.174CC..  trans-79.5119.8-170.6-55.5172000111.3E119 N178 A180 S193 K195 V229 Y233 G234 P255E119-I231 HydrophobicContact CG-CG2 4.39Å; N178-I231 WeakPolarHBondContact OD1-CG2 3.47Å; A180-I231 HydrophobicContact CB-CD1 3.85Å; A180-I231 HydrophobicContact CB-CG1 4.26Å; S193-I231 WeakPolarHBondContact O-CD1 3.48Å; K195-I231 HydrophobicContact CB-CB 4.1Å; K195-I231 HydrophobicContact CB-CD1 4.23Å; K195-I231 HydrophobicContact CB-CG2 4.17Å; K195-I231 HydrophobicContact CD-CB 4.34Å; K195-I231 HydrophobicContact CD-CG2 3.82Å; K195-I231 HydrophobicContact CG-CB 3.94Å; K195-I231 HydrophobicContact CG-CG2 3.97Å; V229-I231 HydrophobicContact CG1-CG1 3.94Å; I231-Y233 PolarHBondContact O-N 3.18Å; I231-G234 PolarHBondContact O-N 2.88Å; I231-P255 HydrophobicContact CG1-CG 4.42Å
232C98.6Very high98.7Very high2 Ų232.1 Ų32.11%0.01416%0.156CC..G310 helixtrans43.7-100167.1-177.90000116.2E119 N230 G234 R235 N254 P255E119-C232 HydrophobicContact CG-CB 4.45Å; E119-C232 WeakPolarHBondContact OE1-CB 3.5Å; E119-C232 WeakPolarHBondContact OE2-CB 3.16Å; E119-C232 PolarHBondContact OE2-SG 2.91Å; N230-C232 PolarHBondContact O-N 3.48Å; C232-G234 PolarHBondContact O-N 2.61Å; C232-R235 WeakPolarHBondContact O-CB 3.45Å; C232-R235 WeakPolarHBondContact O-CG 3.42Å; C232-R235 PolarHBondContact O-N 2.71Å; C232-R235 PolarHBondContact O-NH1 3Å; C232-N254 PolarHBondContact N-ND2 3.02Å; C232-P255 WeakPolarHBondContact CA-O 3.44Å; C232-P255 PolarHBondContact N-O 3.35Å
233Y98.5Very high98.7Very high67 Ų6734.8 Ų34.826%0.26317%0.169SC..G310 helixtrans-66.1-19-174-165.4-108000112.9H197 P199 V201 I231 R235 H236 H237H197-Y233 HydrophobicContact CB-CD1 4.16Å; P199-Y233 HydrophobicContact CB-CD1 4.03Å; P199-Y233 HydrophobicContact CB-CD2 3.61Å; P199-Y233 HydrophobicContact CB-CE1 4.32Å; P199-Y233 HydrophobicContact CB-CE2 3.95Å; P199-Y233 HydrophobicContact CB-CG 3.67Å; P199-Y233 HydrophobicContact CG-CD2 4.26Å; P199-Y233 HydrophobicContact CG-CG 4.04Å; V201-Y233 HydrophobicContact CG1-CE2 4.3Å; I231-Y233 PolarHBondContact O-N 3.18Å; Y233-R235 PolarHBondContact O-N 2.8Å; Y233-R235 VanDerWaalsContact O-N 3.1Å; Y233-H236 AromaticContact CD2-CD2 3.21Å; Y233-H236 WeakPolarHBondContact CD2-CD2 3.33Å; Y233-H236 AromaticContact CD2-NE2 3.6Å; Y233-H236 AromaticContact CE2-CD2 3.34Å; Y233-H236 WeakPolarHBondContact CE2-CD2 3.37Å; Y233-H236 AromaticContact CE2-NE2 3.76Å; Y233-H236 AromaticContact CG-CD2 3.84Å; Y233-H236 PolarHBondContact O-CD2 3.19Å; Y233-H236 PolarHBondContact O-N 2.88Å; Y233-H237 AromaticContact CD1-CE1 3.79Å; Y233-H237 AromaticContact CE1-CE1 3.64Å; Y233-H237 PolarHBondContact O-ND1 3.17Å; Y233-H237 VanDerWaalsContact O-ND1 3.12Å
234G98.7Very high98.8Very high0 Ų029.1 Ų29.10%014%0.142CC..G310 helixtrans-60.2-13.9166.400000113.6N230 I231 C232 H236 H237 N240N230-G234 PolarHBondContact ND2-O 2.75Å; N230-G234 WeakPolarHBondContact OD1-CA 3.45Å; N230-G234 PolarHBondContact OD1-O 3.33Å; I231-G234 PolarHBondContact O-N 2.88Å; C232-G234 PolarHBondContact O-N 2.61Å; G234-H236 PolarHBondContact O-N 2.95Å; G234-H237 PolarHBondContact O-N 3.42Å; G234-N240 WeakPolarHBondContact CA-ND2 3.39Å
235R98.6Very high98.8Very high14 Ų1427.7 Ų27.75%0.05314%0.136CC..G310 helixtrans-58.6-34172.477.2-178.6178.4-88.30.9113.1C232 Y233 H237 W241 T258 S263 E270C232-R235 WeakPolarHBondContact O-CB 3.45Å; C232-R235 WeakPolarHBondContact O-CG 3.42Å; C232-R235 PolarHBondContact O-N 2.71Å; C232-R235 PolarHBondContact O-NH1 3Å; Y233-R235 PolarHBondContact O-N 2.8Å; Y233-R235 VanDerWaalsContact O-N 3.1Å; R235-H237 PolarHBondContact O-N 2.93Å; R235-W241 HydrophobicContact CB-CZ2 4.05Å; R235-W241 PolarHBondContact O-NE1 3.07Å; R235-T258 PolarHBondContact NH2-OG1 2.9Å; R235-S263 PolarHBondContact NH2-OG 2.77Å; R235-E270 WeakPolarHBondContact CD-OE2 3.15Å; R235-E270 WeakPolarHBondContact CG-OE2 3.16Å; R235-E270 IonicContact NE-OE2 3.98Å; R235-E270 PolarHBondContact NE-OE2 3.08Å
236H98.6Very high98.8Very high47 Ų4731.5 Ų31.522%0.21816%0.155CC..G310 helixtrans-77.6-5.7-177-57.1-62.8000113.6Y233 G234 P238 E270Y233-H236 AromaticContact CD2-CD2 3.21Å; Y233-H236 WeakPolarHBondContact CD2-CD2 3.33Å; Y233-H236 AromaticContact CD2-NE2 3.6Å; Y233-H236 AromaticContact CE2-CD2 3.34Å; Y233-H236 WeakPolarHBondContact CE2-CD2 3.37Å; Y233-H236 AromaticContact CE2-NE2 3.76Å; Y233-H236 AromaticContact CG-CD2 3.84Å; Y233-H236 PolarHBondContact O-CD2 3.19Å; Y233-H236 PolarHBondContact O-N 2.88Å; G234-H236 PolarHBondContact O-N 2.95Å; H236-P238 VanDerWaalsContact O-CD 3.29Å; H236-P238 WeakPolarHBondContact O-CD 3.49Å; H236-E270 WeakPolarHBondContact CA-OE1 3.11Å; H236-E270 IonicContact CE1-OE1 3.79Å; H236-E270 IonicContact CE1-OE2 3.01Å; H236-E270 PolarHBondContact CE1-OE2 3.08Å; H236-E270 IonicContact CG-OE1 2.91Å; H236-E270 VanDerWaalsContact ND1-CD 3.3Å; H236-E270 IonicContact ND1-OE1 3.62Å; H236-E270 PolarHBondContact ND1-OE1 3.41Å; H236-E270 IonicContact ND1-OE2 2.66Å; H236-E270 PolarHBondContact ND1-OE2 3.08Å
237H98.8Very high98.8Very high59 Ų5931.9 Ų31.927%0.27316%0.161SC..  trans-112.996.4-170.7-64.182.3000109.6H197 Y233 G234 R235 L239 N240 W241H197-H237 AromaticContact CD2-CG 3.71Å; H197-H237 AromaticContact CD2-ND1 3.87Å; H197-H237 AromaticContact CE1-CD2 3.52Å; H197-H237 AromaticContact CE1-CG 3.75Å; H197-H237 AromaticContact CG-CD2 3.87Å; H197-H237 AromaticContact CG-CE1 3.71Å; H197-H237 AromaticContact CG-CG 3.68Å; H197-H237 AromaticContact CG-ND1 3.57Å; H197-H237 AromaticContact CG-NE2 3.89Å; H197-H237 AromaticContact ND1-CD2 3.43Å; H197-H237 PolarHBondContact ND1-CD2 3.03Å; H197-H237 AromaticContact ND1-CE1 3.8Å; H197-H237 AromaticContact ND1-CG 3.71Å; H197-H237 AromaticContact ND1-ND1 3.92Å; H197-H237 AromaticContact ND1-NE2 3.5Å; H197-H237 PolarHBondContact ND1-NE2 2.78Å; H197-H237 AromaticContact NE2-CD2 3.98Å; H197-H237 AromaticContact NE2-CG 3.74Å; Y233-H237 AromaticContact CD1-CE1 3.79Å; Y233-H237 AromaticContact CE1-CE1 3.64Å; Y233-H237 PolarHBondContact O-ND1 3.17Å; Y233-H237 VanDerWaalsContact O-ND1 3.12Å; G234-H237 PolarHBondContact O-N 3.42Å; R235-H237 PolarHBondContact O-N 2.93Å; H237-L239 PolarHBondContact O-N 3.22Å; H237-L239 VanDerWaalsContact O-N 3.13Å; H237-N240 HydrophobicContact CB-CB 3.91Å; H237-N240 WeakPolarHBondContact O-CB 3.44Å; H237-N240 PolarHBondContact O-N 3.27Å; H237-W241 PolarHBondContact O-N 3.38Å
238P98.9Very high98.8Very high89 Ų8933.2 Ų33.258%0.57817%0.174SC*.Hα-helixtrans-53.4-35.4179-28.835.6000113.5H236 N240 W241 F242H236-P238 VanDerWaalsContact O-CD 3.29Å; H236-P238 WeakPolarHBondContact O-CD 3.49Å; P238-N240 VanDerWaalsContact C-N 3.31Å; P238-N240 PolarHBondContact O-N 2.87Å; P238-W241 PolarHBondContact O-N 3.44Å; P238-F242 VanDerWaalsContact O-CB 3.3Å; P238-F242 WeakPolarHBondContact O-CB 3.42Å; P238-F242 PolarHBondContact O-N 2.77Å
239L98.8Very high98.8Very high100 Ų10033.6 Ų33.652%0.52418%0.177SC..Hα-helixtrans-64.1-33.2176.8-69.1177.8000112.9H237 F242 M243 L368H237-L239 PolarHBondContact O-N 3.22Å; H237-L239 VanDerWaalsContact O-N 3.13Å; L239-F242 HydrophobicContact CD2-CD1 4.39Å; L239-F242 PolarHBondContact O-N 3.05Å; L239-M243 WeakPolarHBondContact O-CB 3.42Å; L239-M243 VanDerWaalsContact O-CG 3.27Å; L239-M243 WeakPolarHBondContact O-CG 3.48Å; L239-M243 PolarHBondContact O-N 3.41Å; L239-L368 HydrophobicContact CD1-CD1 4.3Å; L239-L368 HydrophobicContact CD2-CD1 4.48Å
240N98.9Very high98.8Very high2 Ų234.8 Ų34.81%0.01118%0.183CC..Hα-helixtrans-65.8-48.6177.5-164.532.5000110.5N196 H217 N230 G234 H237 P238 F242 M243 Y244N196-N240 PolarHBondContact ND2-OD1 2.83Å; H217-N240 PolarHBondContact CD2-O 2.76Å; H217-N240 PolarHBondContact CD2-OD1 3.35Å; H217-N240 PolarHBondContact NE2-OD1 3.45Å; N230-N240 VanDerWaalsContact CG-ND2 3.28Å; N230-N240 PolarHBondContact OD1-ND2 3.19Å; G234-N240 WeakPolarHBondContact CA-ND2 3.39Å; H237-N240 HydrophobicContact CB-CB 3.91Å; H237-N240 WeakPolarHBondContact O-CB 3.44Å; H237-N240 PolarHBondContact O-N 3.27Å; P238-N240 VanDerWaalsContact C-N 3.31Å; P238-N240 PolarHBondContact O-N 2.87Å; N240-F242 VanDerWaalsContact C-N 3.32Å; N240-F242 PolarHBondContact O-N 3.25Å; N240-M243 PolarHBondContact O-N 3Å; N240-Y244 WeakPolarHBondContact O-CD2 3.36Å; N240-Y244 PolarHBondContact O-N 3.28Å
241W98.9Very high98.8Very high4 Ų434.8 Ų34.82%0.01518%0.183CC..Hα-helixtrans-58.6-44.5173.6-64.8105.3000112.5N230 R235 H237 P238 M243 Y244 S245 I252 N254 A271 A274 F280N230-W241 HydrophobicContact CB-CD2 4.42Å; N230-W241 HydrophobicContact CB-CE3 4.05Å; N230-W241 HydrophobicContact CB-CH2 4.23Å; N230-W241 HydrophobicContact CB-CZ3 3.96Å; N230-W241 WeakPolarHBondContact ND2-CZ2 3.39Å; N230-W241 PolarHBondContact ND2-NE1 2.96Å; R235-W241 HydrophobicContact CB-CZ2 4.05Å; R235-W241 PolarHBondContact O-NE1 3.07Å; H237-W241 PolarHBondContact O-N 3.38Å; P238-W241 PolarHBondContact O-N 3.44Å; W241-M243 PolarHBondContact O-N 2.98Å; W241-Y244 PolarHBondContact O-N 2.95Å; W241-S245 PolarHBondContact O-N 3.32Å; W241-I252 HydrophobicContact CE3-CB 4.27Å; W241-I252 HydrophobicContact CE3-CD1 4.3Å; W241-I252 HydrophobicContact CE3-CG2 3.8Å; W241-I252 HydrophobicContact CZ3-CB 3.97Å; W241-I252 HydrophobicContact CZ3-CG2 3.53Å; W241-N254 HydrophobicContact CH2-CB 3.47Å; W241-N254 VanDerWaalsContact CH2-CB 3.47Å; W241-N254 HydrophobicContact CZ2-CB 4.17Å; W241-N254 HydrophobicContact CZ3-CB 4.31Å; W241-A271 HydrophobicContact CH2-CB 4.02Å; W241-A271 HydrophobicContact CZ2-CB 4.12Å; W241-A274 HydrophobicContact CB-CB 3.91Å; W241-A274 HydrophobicContact CD2-CB 3.35Å; W241-A274 HydrophobicContact CE3-CB 3.75Å; W241-A274 HydrophobicContact CG-CB 3.47Å; W241-A274 VanDerWaalsContact CG-CB 3.47Å; W241-A274 HydrophobicContact CZ2-CB 4.31Å; W241-A274 HydrophobicContact CZ3-CB 4.33Å; W241-F280 HydrophobicContact CB-CZ 4.39Å; W241-F280 HydrophobicContact CE3-CE2 4.19Å; W241-F280 AromaticContact CE3-CZ 3.75Å; W241-F280 HydrophobicContact CE3-CZ 3.75Å; W241-F280 HydrophobicContact CZ3-CE2 4.4Å; W241-F280 HydrophobicContact CZ3-CZ 4.39Å
242F98.8Very high98.8Very high40 Ų4034.7 Ų34.718%0.17518%0.182CC..Hα-helixtrans-58.9-46.2179168.5-107.9000111.9P238 L239 N240 Y244 S245 M246 N278 Y361P238-F242 VanDerWaalsContact O-CB 3.3Å; P238-F242 WeakPolarHBondContact O-CB 3.42Å; P238-F242 PolarHBondContact O-N 2.77Å; L239-F242 HydrophobicContact CD2-CD1 4.39Å; L239-F242 PolarHBondContact O-N 3.05Å; N240-F242 VanDerWaalsContact C-N 3.32Å; N240-F242 PolarHBondContact O-N 3.25Å; F242-Y244 PolarHBondContact O-N 3.36Å; F242-S245 CarbonylContact O-C 3.56Å; F242-S245 WeakPolarHBondContact O-CA 3.21Å; F242-S245 WeakPolarHBondContact O-CB 3.15Å; F242-S245 PolarHBondContact O-N 3.27Å; F242-M246 HydrophobicContact CD1-CG 4.19Å; F242-M246 HydrophobicContact CD2-CG 3.95Å; F242-M246 HydrophobicContact CD2-SD 4.47Å; F242-M246 HydrophobicContact CE1-CG 3.64Å; F242-M246 HydrophobicContact CE2-CG 3.34Å; F242-M246 HydrophobicContact CE2-SD 3.48Å; F242-M246 WeakPolarHBondContact CE2-SD 3.43Å; F242-M246 HydrophobicContact CG-CG 4.34Å; F242-M246 HydrophobicContact CZ-CE 4.46Å; F242-M246 HydrophobicContact CZ-CG 3.18Å; F242-M246 HydrophobicContact CZ-SD 3.53Å; F242-M246 VanDerWaalsContact CZ-SD 3.53Å; F242-M246 WeakPolarHBondContact O-CG 3.33Å; F242-M246 PolarHBondContact O-N 2.86Å; F242-N278 WeakPolarHBondContact CA-OD1 3.43Å; F242-Y361 HydrophobicContact CD2-CE1 4.25Å; F242-Y361 HydrophobicContact CE1-CD1 4.48Å; F242-Y361 AromaticContact CE2-CD1 3.67Å; F242-Y361 HydrophobicContact CE2-CD1 3.67Å; F242-Y361 AromaticContact CE2-CE1 3.15Å; F242-Y361 HydrophobicContact CE2-CE1 3.15Å; F242-Y361 HydrophobicContact CE2-CE2 4.36Å; F242-Y361 HydrophobicContact CE2-CG 4.44Å; F242-Y361 AromaticContact CE2-CZ 3.53Å; F242-Y361 AromaticContact CZ-CD1 3.38Å; F242-Y361 HydrophobicContact CZ-CD1 3.38Å; F242-Y361 AromaticContact CZ-CE1 3.43Å; F242-Y361 HydrophobicContact CZ-CE1 3.43Å; F242-Y361 VanDerWaalsContact CZ-CE1 3.43Å; F242-Y361 AromaticContact CZ-CG 3.96Å; F242-Y361 HydrophobicContact CZ-CG 3.96Å
243M98.9Very high98.8Very high70 Ų7034.6 Ų34.635%0.34518%0.182SC..Hα-helixtrans-65.1-38-177.3-74-55.2-59.900113.1H217 L239 N240 W241 S245 M246 N247H217-M243 HydrophobicContact CB-CB 3.94Å; H217-M243 WeakPolarHBondContact CD2-CB 2.9Å; L239-M243 WeakPolarHBondContact O-CB 3.42Å; L239-M243 VanDerWaalsContact O-CG 3.27Å; L239-M243 WeakPolarHBondContact O-CG 3.48Å; L239-M243 PolarHBondContact O-N 3.41Å; N240-M243 PolarHBondContact O-N 3Å; W241-M243 PolarHBondContact O-N 2.98Å; M243-S245 VanDerWaalsContact C-N 3.31Å; M243-S245 PolarHBondContact O-N 2.94Å; M243-M246 PolarHBondContact O-N 3.03Å; M243-N247 PolarHBondContact O-N 2.99Å
244Y98.9Very high98.8Very high2 Ų231.4 Ų31.41%0.00817%0.169CC..Hα-helixtrans-62.6-38.9170.9-69.3-64.2000112.2N196 H217 A228 V229 N230 N240 W241 F242 N247 G248 A249 I252N196-Y244 PolarHBondContact ND2-OH 3.32Å; H217-Y244 HydrophobicContact CB-CD1 3.71Å; H217-Y244 HydrophobicContact CB-CE1 3.79Å; H217-Y244 HydrophobicContact CB-CG 4.22Å; H217-Y244 AromaticContact CD2-CE2 3.9Å; A228-Y244 HydrophobicContact CB-CD1 3.53Å; A228-Y244 HydrophobicContact CB-CE1 4.18Å; A228-Y244 HydrophobicContact CB-CG 3.82Å; V229-Y244 PolarHBondContact O-OH 3.16Å; N230-Y244 HydrophobicContact CB-CD2 4.29Å; N230-Y244 HydrophobicContact CB-CE2 3.89Å; N240-Y244 WeakPolarHBondContact O-CD2 3.36Å; N240-Y244 PolarHBondContact O-N 3.28Å; W241-Y244 PolarHBondContact O-N 2.95Å; F242-Y244 PolarHBondContact O-N 3.36Å; Y244-N247 CarbonylContact O-C 3.54Å; Y244-N247 PolarHBondContact O-N 3.14Å; Y244-G248 PolarHBondContact O-N 2.78Å; Y244-A249 VanDerWaalsContact O-CB 3.29Å; Y244-A249 WeakPolarHBondContact O-CB 3.27Å; Y244-A249 PolarHBondContact O-N 3.11Å; Y244-A249 VanDerWaalsContact O-N 3.08Å; Y244-I252 VanDerWaalsContact CB-CD1 3.45Å; Y244-I252 HydrophobicContact CD2-CD1 4.47Å; Y244-I252 HydrophobicContact CG-CD1 4.28Å
245S98.6Very high98.8Very high4 Ų431.4 Ų31.43%0.02817%0.169CC..Hα-helixtrans-68.3-36176.3-171.80000113W241 F242 M243 N247 G248 N278 K356W241-S245 PolarHBondContact O-N 3.32Å; F242-S245 CarbonylContact O-C 3.56Å; F242-S245 WeakPolarHBondContact O-CA 3.21Å; F242-S245 WeakPolarHBondContact O-CB 3.15Å; F242-S245 PolarHBondContact O-N 3.27Å; M243-S245 VanDerWaalsContact C-N 3.31Å; M243-S245 PolarHBondContact O-N 2.94Å; S245-N247 VanDerWaalsContact C-N 3.27Å; S245-N247 PolarHBondContact O-N 2.72Å; S245-G248 WeakPolarHBondContact O-CA 3.31Å; S245-G248 PolarHBondContact O-N 2.78Å; S245-N278 PolarHBondContact OG-O 2.79Å; S245-K356 PolarHBondContact O-NZ 3.39Å; S245-K356 PolarHBondContact OG-NZ 2.72Å
246M98.4Very high98.8Very high82 Ų8230.8 Ų30.840%0.40417%0.167SC..Hα-helixtrans-64.7-33.6172.4-74.1-56.4-63.400112F242 M243 G248 Y361F242-M246 HydrophobicContact CD1-CG 4.19Å; F242-M246 HydrophobicContact CD2-CG 3.95Å; F242-M246 HydrophobicContact CD2-SD 4.47Å; F242-M246 HydrophobicContact CE1-CG 3.64Å; F242-M246 HydrophobicContact CE2-CG 3.34Å; F242-M246 HydrophobicContact CE2-SD 3.48Å; F242-M246 WeakPolarHBondContact CE2-SD 3.43Å; F242-M246 HydrophobicContact CG-CG 4.34Å; F242-M246 HydrophobicContact CZ-CE 4.46Å; F242-M246 HydrophobicContact CZ-CG 3.18Å; F242-M246 HydrophobicContact CZ-SD 3.53Å; F242-M246 VanDerWaalsContact CZ-SD 3.53Å; F242-M246 WeakPolarHBondContact O-CG 3.33Å; F242-M246 PolarHBondContact O-N 2.86Å; M243-M246 PolarHBondContact O-N 3.03Å; M246-G248 PolarHBondContact O-N 2.83Å; M246-Y361 HydrophobicContact CE-CD2 4.03Å; M246-Y361 HydrophobicContact CE-CE2 4.24Å; M246-Y361 HydrophobicContact SD-CD2 4.07Å; M246-Y361 HydrophobicContact SD-CE2 3.75Å
247N98.8Very high98.8Very high85 Ų8528.5 Ų28.546%0.45516%0.156SC..THydrogen-bonded Turntrans-77.72.3172-68.2-13.6000113.2H217 V219 M243 Y244 S245H217-N247 PolarHBondContact O-ND2 2.89Å; V219-N247 HydrophobicContact CB-CB 4.43Å; V219-N247 HydrophobicContact CG2-CB 3.5Å; V219-N247 VanDerWaalsContact CG2-CB 3.5Å; M243-N247 PolarHBondContact O-N 2.99Å; Y244-N247 CarbonylContact O-C 3.54Å; Y244-N247 PolarHBondContact O-N 3.14Å; S245-N247 VanDerWaalsContact C-N 3.27Å; S245-N247 PolarHBondContact O-N 2.72Å
248G98.6Very high98.7Very high27 Ų2725.8 Ų25.828%0.27814%0.144SC..THydrogen-bonded Turntrans88.322.3170.700000115.3K226 Y244 S245 M246K226-G248 WeakPolarHBondContact CB-O 3.42Å; K226-G248 WeakPolarHBondContact CD-O 3.26Å; Y244-G248 PolarHBondContact O-N 2.78Å; S245-G248 WeakPolarHBondContact O-CA 3.31Å; S245-G248 PolarHBondContact O-N 2.78Å; M246-G248 PolarHBondContact O-N 2.83Å
249A98.9Very high98.4Very high8 Ų822.7 Ų22.77%0.06612%0.123CC..  trans-58.6135.617400000112V219 A228 Y244 I252V219-A249 HydrophobicContact CG1-CB 4.39Å; V219-A249 HydrophobicContact CG2-CB 4.02Å; A228-A249 HydrophobicContact CB-CB 3.8Å; Y244-A249 VanDerWaalsContact O-CB 3.29Å; Y244-A249 WeakPolarHBondContact O-CB 3.27Å; Y244-A249 PolarHBondContact O-N 3.11Å; Y244-A249 VanDerWaalsContact O-N 3.08Å; A249-I252 HydrophobicContact CB-CD1 3.96Å; A249-I252 HydrophobicContact CB-CG1 3.83Å
250E98.9Very high97.2Very high26 Ų2618.8 Ų18.812%0.12111%0.108CC..SBendtrans-101-30.8176.1-67.6176.8119.400111.8R70 G225 K226 F281 L343 N346R70-E250 IonicContact CZ-OE1 2.79Å; R70-E250 VanDerWaalsContact CZ-OE1 3.23Å; R70-E250 IonicContact CZ-OE2 3.38Å; R70-E250 IonicContact NH1-OE1 2.88Å; R70-E250 PolarHBondContact NH1-OE1 3.47Å; R70-E250 IonicContact NH2-OE1 3.45Å; R70-E250 PolarHBondContact NH2-OE1 3.41Å; R70-E250 IonicContact NH2-OE2 2.68Å; R70-E250 PolarHBondContact NH2-OE2 2.91Å; G225-E250 VanDerWaalsContact CA-OE2 3.3Å; G225-E250 WeakPolarHBondContact CA-OE2 3.5Å; K226-E250 HydrophobicContact CB-CB 4.37Å; K226-E250 HydrophobicContact CB-CG 4.05Å; K226-E250 PolarHBondContact N-OE2 3.21Å; K226-E250 PolarHBondContact O-N 2.86Å; E250-F281 PolarHBondContact O-N 2.86Å; E250-L343 HydrophobicContact CB-CD2 4.48Å; E250-N346 WeakPolarHBondContact CA-ND2 3.45Å; E250-N346 PolarHBondContact O-ND2 2.93Å
251I98.9Very high95.8Very high0 Ų023.5 Ų23.50%015%0.147CC..EExtended strand (participates in β ladder)trans-133.9128.7175.2-46.2176000107.9V72 V74 K226 L227 A228 F253 F281 L341 L343V72-I251 HydrophobicContact CG1-CD1 3.99Å; V74-I251 HydrophobicContact CG1-CD1 3.93Å; K226-I251 PolarHBondContact O-N 2.87Å; L227-I251 CarbonylContact C-O 3.56Å; L227-I251 WeakPolarHBondContact CA-O 3.4Å; L227-I251 HydrophobicContact CD2-CB 4.04Å; L227-I251 HydrophobicContact CD2-CD1 3.84Å; L227-I251 HydrophobicContact CD2-CG1 4.21Å; A228-I251 PolarHBondContact N-O 3.45Å; I251-F253 HydrophobicContact CB-CE2 4.3Å; I251-F253 HydrophobicContact CG2-CD2 4.2Å; I251-F253 HydrophobicContact CG2-CE2 3.66Å; I251-F253 HydrophobicContact CG2-CZ 3.91Å; I251-F281 CarbonylContact C-O 3.55Å; I251-F281 WeakPolarHBondContact CA-O 3.45Å; I251-F281 HydrophobicContact CG1-CB 4.49Å; I251-F281 HydrophobicContact CG2-CB 4.32Å; I251-L341 HydrophobicContact CD1-CD1 4.15Å; I251-L343 HydrophobicContact CD1-CD2 3.94Å; I251-L343 HydrophobicContact CG1-CD2 3.8Å
252I98.9Very high94.5Very high0 Ų030.6 Ų30.60%018%0.184CC..EExtended strand (participates in β ladder)trans-117.2117.4174.2-48.7-162.7000109.4A228 N230 W241 Y244 A249 F280 F281 A282 C283A228-I252 HydrophobicContact CB-CD1 4.42Å; A228-I252 HydrophobicContact CB-CG1 4.15Å; A228-I252 HydrophobicContact CB-CG2 4.25Å; A228-I252 WeakPolarHBondContact O-CA 3.12Å; N230-I252 HydrophobicContact CB-CG2 3.9Å; W241-I252 HydrophobicContact CE3-CB 4.27Å; W241-I252 HydrophobicContact CE3-CD1 4.3Å; W241-I252 HydrophobicContact CE3-CG2 3.8Å; W241-I252 HydrophobicContact CZ3-CB 3.97Å; W241-I252 HydrophobicContact CZ3-CG2 3.53Å; Y244-I252 VanDerWaalsContact CB-CD1 3.45Å; Y244-I252 HydrophobicContact CD2-CD1 4.47Å; Y244-I252 HydrophobicContact CG-CD1 4.28Å; A249-I252 HydrophobicContact CB-CD1 3.96Å; A249-I252 HydrophobicContact CB-CG1 3.83Å; I252-F280 HydrophobicContact CB-CD2 4.3Å; I252-F280 HydrophobicContact CB-CE2 4.03Å; I252-F280 HydrophobicContact CB-CZ 4.37Å; I252-F280 HydrophobicContact CD1-CD1 3.67Å; I252-F280 HydrophobicContact CD1-CD2 4.21Å; I252-F280 HydrophobicContact CD1-CE1 3.28Å; I252-F280 HydrophobicContact CD1-CE2 3.89Å; I252-F280 HydrophobicContact CD1-CG 4.14Å; I252-F280 HydrophobicContact CD1-CZ 3.44Å; I252-F280 VanDerWaalsContact CD1-CZ 3.44Å; I252-F280 HydrophobicContact CG1-CD1 4.05Å; I252-F280 HydrophobicContact CG1-CD2 3.88Å; I252-F280 HydrophobicContact CG1-CE1 4.02Å; I252-F280 HydrophobicContact CG1-CE2 3.86Å; I252-F280 HydrophobicContact CG1-CG 4Å; I252-F280 HydrophobicContact CG1-CZ 3.96Å; I252-F281 PolarHBondContact N-O 2.87Å; I252-A282 WeakPolarHBondContact O-CA 3.17Å; I252-C283 PolarHBondContact O-N 3.08Å
253F98.9Very high94.2Very high0 Ų029.2 Ų29.20%018%0.179CC..EExtended strand (participates in β ladder)trans-84.7138.9173-65.1-92000110.3V74 L76 V114 C116 I163 L227 A228 V229 N230 I251 P255 C283V74-F253 HydrophobicContact CB-CE1 4.41Å; V74-F253 HydrophobicContact CB-CZ 4.32Å; V74-F253 HydrophobicContact CG1-CZ 4Å; L76-F253 HydrophobicContact CD1-CE1 4.21Å; V114-F253 HydrophobicContact CB-CZ 4.33Å; V114-F253 HydrophobicContact CG1-CE2 3.88Å; V114-F253 HydrophobicContact CG1-CZ 3.6Å; C116-F253 HydrophobicContact CB-CB 4.41Å; C116-F253 HydrophobicContact CB-CD1 3.28Å; C116-F253 HydrophobicContact CB-CE1 3.64Å; C116-F253 HydrophobicContact CB-CG 3.95Å; I163-F253 HydrophobicContact CD1-CB 4.45Å; I163-F253 HydrophobicContact CD1-CD1 4.43Å; I163-F253 HydrophobicContact CD1-CD2 3.28Å; I163-F253 HydrophobicContact CD1-CE2 3.47Å; I163-F253 VanDerWaalsContact CD1-CE2 3.47Å; I163-F253 HydrophobicContact CD1-CG 3.81Å; I163-F253 HydrophobicContact CD1-CZ 4.14Å; L227-F253 HydrophobicContact CD2-CE2 4.29Å; A228-F253 PolarHBondContact O-N 3.42Å; V229-F253 CarbonylContact C-O 3.55Å; V229-F253 WeakPolarHBondContact CA-O 3.41Å; N230-F253 PolarHBondContact N-O 3.02Å; I251-F253 HydrophobicContact CB-CE2 4.3Å; I251-F253 HydrophobicContact CG2-CD2 4.2Å; I251-F253 HydrophobicContact CG2-CE2 3.66Å; I251-F253 HydrophobicContact CG2-CZ 3.91Å; F253-P255 VanDerWaalsContact C-CD 3.5Å; F253-P255 WeakPolarHBondContact O-CD 3.41Å; F253-C283 HydrophobicContact CD1-CB 3.49Å; F253-C283 VanDerWaalsContact CD1-CB 3.49Å; F253-C283 HydrophobicContact CE1-CB 3.83Å; F253-C283 HydrophobicContact CG-CB 4.14Å
254N98.9Very high94Very high1 Ų128.2 Ų28.21%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-125.376.6177174.4-136000110.7N230 C232 W241 S256 C283 I285N230-N254 VanDerWaalsContact O-CA 3.24Å; N230-N254 WeakPolarHBondContact O-CA 3.47Å; N230-N254 PolarHBondContact O-ND2 3Å; C232-N254 PolarHBondContact N-ND2 3.02Å; W241-N254 HydrophobicContact CH2-CB 3.47Å; W241-N254 VanDerWaalsContact CH2-CB 3.47Å; W241-N254 HydrophobicContact CZ2-CB 4.17Å; W241-N254 HydrophobicContact CZ3-CB 4.31Å; N254-S256 PolarHBondContact ND2-OG 2.69Å; N254-S256 PolarHBondContact O-N 3.16Å; N254-S256 PolarHBondContact O-OG 3.06Å; N254-C283 PolarHBondContact N-O 2.72Å; N254-I285 PolarHBondContact O-N 2.82Å
255P98.9Very high93.8Very high0 Ų032.3 Ų32.30%020%0.201CC..EExtended strand (participates in β ladder)trans-66.7127172.829.7-34.6000109.4F117 E119 P165 V229 I231 C232 F253F117-P255 WeakPolarHBondContact O-CB 3.46Å; E119-P255 HydrophobicContact CB-CB 4.43Å; P165-P255 HydrophobicContact CB-CB 4.25Å; P165-P255 HydrophobicContact CB-CG 4.26Å; P165-P255 HydrophobicContact CG-CB 3.54Å; P165-P255 HydrophobicContact CG-CG 3.64Å; V229-P255 HydrophobicContact CG1-CG 3.66Å; I231-P255 HydrophobicContact CG1-CG 4.42Å; C232-P255 WeakPolarHBondContact CA-O 3.44Å; C232-P255 PolarHBondContact N-O 3.35Å; F253-P255 VanDerWaalsContact C-CD 3.5Å; F253-P255 WeakPolarHBondContact O-CD 3.41Å
256S98.8Very high93.8Very high0 Ų035.4 Ų35.40%022%0.215CC..EExtended strand (participates in β ladder)trans-138.6155.6-174.3-54.70000111.6N254 I285 N286 R287N254-S256 PolarHBondContact ND2-OG 2.69Å; N254-S256 PolarHBondContact O-N 3.16Å; N254-S256 PolarHBondContact O-OG 3.06Å; S256-I285 WeakPolarHBondContact CA-O 3.45Å; S256-I285 WeakPolarHBondContact CB-O 3.47Å; S256-I285 PolarHBondContact N-O 3.29Å; S256-N286 WeakPolarHBondContact O-CA 3.38Å; S256-N286 PolarHBondContact O-OD1 3.23Å; S256-R287 PolarHBondContact O-N 3.4Å
257A97.9Very high93.7Very high0 Ų032 Ų320%020%0.198CC..  trans-128.9116.515800000107.7E119 F125 F204 N286 R287 F312E119-A257 HydrophobicContact CB-CB 4.48Å; E119-A257 PolarHBondContact OE2-N 2.97Å; F125-A257 HydrophobicContact CD1-CB 4.36Å; F125-A257 HydrophobicContact CD2-CB 3.48Å; F125-A257 VanDerWaalsContact CD2-CB 3.48Å; F125-A257 HydrophobicContact CE1-CB 4.31Å; F125-A257 HydrophobicContact CE2-CB 3.43Å; F125-A257 VanDerWaalsContact CE2-CB 3.43Å; F125-A257 HydrophobicContact CG-CB 3.96Å; F125-A257 HydrophobicContact CZ-CB 3.85Å; F204-A257 WeakPolarHBondContact CE1-O 3.46Å; A257-N286 VanDerWaalsContact CA-OD1 3.3Å; A257-N286 WeakPolarHBondContact CA-OD1 3.24Å; A257-R287 HydrophobicContact CB-CB 4.25Å; A257-F312 HydrophobicContact CB-CD1 4.21Å; A257-F312 HydrophobicContact CB-CE1 3.73Å; A257-F312 HydrophobicContact CB-CZ 4.46Å
258T96.4Very high93.7Very high2 Ų230.7 Ų30.71%0.01219%0.194CC..  trans-153152.3179.5-177.60000112.7R235 S263 W267 N286 Y313R235-T258 PolarHBondContact NH2-OG1 2.9Å; T258-S263 WeakPolarHBondContact OG1-CB 3.33Å; T258-S263 PolarHBondContact OG1-OG 3.1Å; T258-W267 HydrophobicContact CG2-CE3 4.21Å; T258-W267 HydrophobicContact CG2-CZ3 4.15Å; T258-N286 PolarHBondContact N-OD1 2.87Å; T258-N286 PolarHBondContact O-ND2 2.81Å; T258-Y313 HydrophobicContact CG2-CE1 3.72Å; T258-Y313 WeakPolarHBondContact CG2-OH 2.95Å; T258-Y313 WeakPolarHBondContact O-CD1 3.41Å; T258-Y313 VanDerWaalsContact O-CE1 3.29Å; T258-Y313 WeakPolarHBondContact O-CE1 3.04Å
259V93.1Very high93.7Very high23 Ų2334.3 Ų34.314%0.13921%0.206CC..BIsolated β-bridgetrans-116.2159.2-170.9-60.20000113.5F204 A261 S263 F309 H311 F312F204-V259 HydrophobicContact CE2-CG2 4.06Å; F204-V259 HydrophobicContact CZ-CG2 4.08Å; V259-A261 PolarHBondContact O-N 3.46Å; V259-S263 WeakPolarHBondContact O-CB 3.42Å; V259-F309 HydrophobicContact CG1-CD1 3.64Å; V259-F309 HydrophobicContact CG1-CE1 3.63Å; V259-H311 WeakPolarHBondContact CA-O 3.43Å; V259-H311 WeakPolarHBondContact CB-O 3.3Å; V259-F312 HydrophobicContact CG1-CD1 3.8Å; V259-F312 HydrophobicContact CG1-CE1 3.89Å; V259-F312 HydrophobicContact CG1-CG 4.21Å; V259-F312 HydrophobicContact CG1-CZ 4.39Å
260G73Confident93.7Very high19 Ų1935.6 Ų35.620%0.19621%0.211CC..Hα-helixtrans-66.9-34.7-157.400000118.2L262 E264 H311G260-L262 PolarHBondContact O-N 3.03Å; G260-L262 VanDerWaalsContact O-N 3.16Å; G260-E264 WeakPolarHBondContact O-CB 3.21Å; G260-E264 PolarHBondContact O-N 3.4Å; G260-H311 PolarHBondContact N-O 2.87Å
261A70.8Confident93.7Very high101 Ų10134.5 Ų34.584%0.83521%0.206SC*.Hα-helixtrans-58.8-39.9-159.400000115.6V259V259-A261 PolarHBondContact O-N 3.46Å
262L71.4Confident93.7Very high153 Ų15336.7 Ų36.780%0.80122%0.215SC*.Hα-helixtrans-123.5-23.9176.9-71.3171000112.7G260G260-L262 PolarHBondContact O-N 3.03Å; G260-L262 VanDerWaalsContact O-N 3.16Å
263S91.4Very high93.7Very high10 Ų1040.9 Ų40.97%0.0724%0.237CC..Hα-helixtrans-86.2-29.3-171.6-175.80000114.2R235 T258 V259 M266 W267R235-S263 PolarHBondContact NH2-OG 2.77Å; T258-S263 WeakPolarHBondContact OG1-CB 3.33Å; T258-S263 PolarHBondContact OG1-OG 3.1Å; V259-S263 WeakPolarHBondContact O-CB 3.42Å; S263-M266 PolarHBondContact O-N 2.67Å; S263-W267 PolarHBondContact O-N 3.08Å
264E94.6Very high93.7Very high49 Ų4941 Ų4123%0.22924%0.238CC..G310 helixtrans-63.4-39.5-171.4-177.6170-16400113.6G260 M266 W267 P268 Y313 R331G260-E264 WeakPolarHBondContact O-CB 3.21Å; G260-E264 PolarHBondContact O-N 3.4Å; E264-M266 PolarHBondContact O-N 3.38Å; E264-M266 VanDerWaalsContact O-N 3.14Å; E264-W267 VanDerWaalsContact O-CB 3.25Å; E264-W267 WeakPolarHBondContact O-CB 3.44Å; E264-W267 PolarHBondContact O-N 2.89Å; E264-P268 VanDerWaalsContact O-CD 3.29Å; E264-P268 WeakPolarHBondContact O-CD 3.46Å; E264-Y313 HydrophobicContact CB-CD1 4.09Å; E264-Y313 HydrophobicContact CB-CD2 4.47Å; E264-Y313 HydrophobicContact CB-CE1 3.92Å; E264-Y313 HydrophobicContact CB-CE2 4.35Å; E264-Y313 HydrophobicContact CB-CG 4.36Å; E264-Y313 HydrophobicContact CG-CD1 4.41Å; E264-Y313 HydrophobicContact CG-CD2 4.01Å; E264-Y313 HydrophobicContact CG-CE1 4.48Å; E264-Y313 HydrophobicContact CG-CE2 4.12Å; E264-Y313 HydrophobicContact CG-CG 4.17Å; E264-R331 VanDerWaalsContact CD-NH2 3.32Å; E264-R331 IonicContact OE1-CZ 3.31Å; E264-R331 VanDerWaalsContact OE1-CZ 3.24Å; E264-R331 IonicContact OE1-NE 2.76Å; E264-R331 PolarHBondContact OE1-NE 3.34Å; E264-R331 IonicContact OE1-NH2 2.7Å; E264-R331 PolarHBondContact OE1-NH2 3.2Å; E264-R331 IonicContact OE2-CZ 3.3Å; E264-R331 IonicContact OE2-NE 3.84Å; E264-R331 IonicContact OE2-NH2 3.64Å; E264-R331 PolarHBondContact OE2-NH2 3.23Å
265P95.7Very high93.7Very high88 Ų8840.9 Ų40.957%0.57124%0.237SC*.G310 helixtrans-60.1-25.1175.5-26.236.2000114.6I269P265-I269 VanDerWaalsContact O-CD1 3.32Å; P265-I269 WeakPolarHBondContact O-CD1 2.99Å
266M97.6Very high93.7Very high69 Ų6943.6 Ų43.634%0.3425%0.251SS..G310 helixtrans-82-24.9177.3-62-175.5-74.900112.5S263 E264 I269 E270S263-M266 PolarHBondContact O-N 2.67Å; E264-M266 PolarHBondContact O-N 3.38Å; E264-M266 VanDerWaalsContact O-N 3.14Å; M266-I269 WeakPolarHBondContact O-CA 3.38Å; M266-I269 WeakPolarHBondContact O-CB 3.21Å; M266-I269 PolarHBondContact O-N 3.11Å; M266-E270 HydrophobicContact CB-CG 4.22Å; M266-E270 PolarHBondContact O-N 3.01Å; M266-E270 VanDerWaalsContact O-N 3.12Å
267W98.1Very high93.7Very high11 Ų1145.7 Ų45.74%0.04227%0.268CS..THydrogen-bonded Turntrans-53.8-45.9-176-169.2-111.7000115.2T258 S263 E264 I269 A284 N286 Y313 S315 Y317T258-W267 HydrophobicContact CG2-CE3 4.21Å; T258-W267 HydrophobicContact CG2-CZ3 4.15Å; S263-W267 PolarHBondContact O-N 3.08Å; E264-W267 VanDerWaalsContact O-CB 3.25Å; E264-W267 WeakPolarHBondContact O-CB 3.44Å; E264-W267 PolarHBondContact O-N 2.89Å; W267-I269 PolarHBondContact O-N 2.77Å; W267-A284 HydrophobicContact CH2-CB 4.02Å; W267-A284 HydrophobicContact CZ2-CB 3.7Å; W267-N286 HydrophobicContact CH2-CB 3.72Å; W267-N286 HydrophobicContact CZ2-CB 3.66Å; W267-N286 HydrophobicContact CZ3-CB 4.39Å; W267-Y313 HydrophobicContact CB-CE2 3.85Å; W267-Y313 WeakPolarHBondContact CB-OH 3.34Å; W267-Y313 AromaticContact CD1-CE2 3.83Å; W267-Y313 AromaticContact CD2-CE2 3.85Å; W267-Y313 HydrophobicContact CD2-CE2 3.85Å; W267-Y313 HydrophobicContact CE3-CE2 4.4Å; W267-Y313 VanDerWaalsContact CE3-OH 3.3Å; W267-Y313 AromaticContact CG-CE2 3.58Å; W267-Y313 HydrophobicContact CG-CE2 3.58Å; W267-S315 PolarHBondContact NE1-O 2.83Å; W267-Y317 AromaticContact CD1-CE1 3.82Å; W267-Y317 HydrophobicContact CG-CE1 4.42Å; W267-Y317 AromaticContact NE1-CD1 3.68Å; W267-Y317 AromaticContact NE1-CE1 3.6Å; W267-Y317 WeakPolarHBondContact O-CE1 3.46Å; W267-Y317 PolarHBondContact O-OH 3.3Å
268P97.8Very high93.7Very high57 Ų5746.2 Ų46.237%0.3727%0.271SS..THydrogen-bonded Turntrans-77-4.4178.832.6-36.4000113.9E264 R325E264-P268 VanDerWaalsContact O-CD 3.29Å; E264-P268 WeakPolarHBondContact O-CD 3.46Å; P268-R325 VanDerWaalsContact CA-NH1 3.33Å
269I98.7Very high93.8Very high104 Ų10446.4 Ų46.453%0.53327%0.272SS..THydrogen-bonded Turntrans-100-55.4-173.1-55.4177.6000110.7P265 M266 W267 R272 N273P265-I269 VanDerWaalsContact O-CD1 3.32Å; P265-I269 WeakPolarHBondContact O-CD1 2.99Å; M266-I269 WeakPolarHBondContact O-CA 3.38Å; M266-I269 WeakPolarHBondContact O-CB 3.21Å; M266-I269 PolarHBondContact O-N 3.11Å; W267-I269 PolarHBondContact O-N 2.77Å; I269-R272 PolarHBondContact O-N 3.44Å; I269-N273 WeakPolarHBondContact O-CB 3.33Å; I269-N273 PolarHBondContact O-N 3.24Å
270E98.9Very high94.1Very high35 Ų3545.3 Ų45.316%0.16427%0.265CS..Hα-helixtrans-70.1-55.9-160.5-62.1178120.300113.6R235 H236 M266 R272 N273 A274R235-E270 WeakPolarHBondContact CD-OE2 3.15Å; R235-E270 WeakPolarHBondContact CG-OE2 3.16Å; R235-E270 IonicContact NE-OE2 3.98Å; R235-E270 PolarHBondContact NE-OE2 3.08Å; H236-E270 WeakPolarHBondContact CA-OE1 3.11Å; H236-E270 IonicContact CE1-OE1 3.79Å; H236-E270 IonicContact CE1-OE2 3.01Å; H236-E270 PolarHBondContact CE1-OE2 3.08Å; H236-E270 IonicContact CG-OE1 2.91Å; H236-E270 VanDerWaalsContact ND1-CD 3.3Å; H236-E270 IonicContact ND1-OE1 3.62Å; H236-E270 PolarHBondContact ND1-OE1 3.41Å; H236-E270 IonicContact ND1-OE2 2.66Å; H236-E270 PolarHBondContact ND1-OE2 3.08Å; M266-E270 HydrophobicContact CB-CG 4.22Å; M266-E270 PolarHBondContact O-N 3.01Å; M266-E270 VanDerWaalsContact O-N 3.12Å; E270-R272 VanDerWaalsContact C-N 3.27Å; E270-R272 PolarHBondContact O-N 3.31Å; E270-N273 PolarHBondContact O-N 3Å; E270-A274 WeakPolarHBondContact O-CB 3.2Å; E270-A274 PolarHBondContact O-N 3.27Å
271A98.9Very high95.3Very high3 Ų344.4 Ų44.43%0.02526%0.256CS..Hα-helixtrans-65.8-32.6178.500000111.8W241 A274 A275 A282 A284W241-A271 HydrophobicContact CH2-CB 4.02Å; W241-A271 HydrophobicContact CZ2-CB 4.12Å; A271-A274 PolarHBondContact O-N 3.45Å; A271-A275 PolarHBondContact O-N 3.17Å; A271-A282 HydrophobicContact CB-CB 4.29Å; A271-A282 VanDerWaalsContact O-CB 3.25Å; A271-A282 WeakPolarHBondContact O-CB 3.46Å; A271-A284 HydrophobicContact CB-CB 3.93Å
272R98.9Very high96.7Very high46 Ų4639.6 Ų39.617%0.17422%0.216CC..Hα-helixtrans-67.3-45173.9-168.2-171.5-175-175.12112L29 F30 I269 E270 A274 A275 I276 Y317 A319 G323L29-R272 PolarHBondContact O-NH1 3.23Å; L29-R272 PolarHBondContact O-NH2 3.25Å; F30-R272 PolarHBondContact O-NH2 3.4Å; I269-R272 PolarHBondContact O-N 3.44Å; E270-R272 VanDerWaalsContact C-N 3.27Å; E270-R272 PolarHBondContact O-N 3.31Å; R272-A274 VanDerWaalsContact C-N 3.28Å; R272-A274 PolarHBondContact O-N 2.89Å; R272-A275 PolarHBondContact O-N 2.87Å; R272-I276 HydrophobicContact CG-CD1 4.23Å; R272-I276 WeakPolarHBondContact O-CG1 3.49Å; R272-I276 PolarHBondContact O-N 3.09Å; R272-I276 VanDerWaalsContact O-N 3.12Å; R272-Y317 HydrophobicContact CB-CE2 4.46Å; R272-Y317 PolarHBondContact N-OH 3Å; R272-A319 HydrophobicContact CB-CB 4.2Å; R272-A319 HydrophobicContact CG-CB 4.07Å; R272-G323 PolarHBondContact NE-O 3.49Å; R272-G323 PolarHBondContact NH2-O 3.48Å
273N98.9Very high98Very high87 Ų8732.3 Ų32.347%0.46518%0.178SC..Hα-helixtrans-61.1-41.1174.8179.6-96.2000110.7I269 E270 A275 I276 A277I269-N273 WeakPolarHBondContact O-CB 3.33Å; I269-N273 PolarHBondContact O-N 3.24Å; E270-N273 PolarHBondContact O-N 3Å; N273-A275 PolarHBondContact O-N 2.82Å; N273-I276 PolarHBondContact O-N 3.03Å; N273-A277 WeakPolarHBondContact O-CB 3.49Å; N273-A277 PolarHBondContact O-N 3.05Å
274A98.9Very high98.3Very high2 Ų231.9 Ų31.92%0.01718%0.175CC..Hα-helixtrans-58.8-46176.200000112.1W241 E270 A271 R272 I276 N278 F280W241-A274 HydrophobicContact CB-CB 3.91Å; W241-A274 HydrophobicContact CD2-CB 3.35Å; W241-A274 HydrophobicContact CE3-CB 3.75Å; W241-A274 HydrophobicContact CG-CB 3.47Å; W241-A274 VanDerWaalsContact CG-CB 3.47Å; W241-A274 HydrophobicContact CZ2-CB 4.31Å; W241-A274 HydrophobicContact CZ3-CB 4.33Å; E270-A274 WeakPolarHBondContact O-CB 3.2Å; E270-A274 PolarHBondContact O-N 3.27Å; A271-A274 PolarHBondContact O-N 3.45Å; R272-A274 VanDerWaalsContact C-N 3.28Å; R272-A274 PolarHBondContact O-N 2.89Å; A274-I276 PolarHBondContact O-N 3.16Å; A274-N278 VanDerWaalsContact O-CB 3.24Å; A274-N278 WeakPolarHBondContact O-CB 3.35Å; A274-N278 PolarHBondContact O-N 2.97Å; A274-N278 VanDerWaalsContact O-N 3.14Å; A274-N278 PolarHBondContact O-ND2 2.87Å; A274-F280 HydrophobicContact CB-CE2 4.37Å; A274-F280 HydrophobicContact CB-CZ 3.95Å; A274-F280 WeakPolarHBondContact O-CZ 3.13Å
275A98.9Very high98.5Very high0 Ų029.6 Ų29.60%016%0.164CC..Hα-helixtrans-58.2-45.3174.900000112.3A271 R272 N273 Q279 F280 A282 A319A271-A275 PolarHBondContact O-N 3.17Å; R272-A275 PolarHBondContact O-N 2.87Å; N273-A275 PolarHBondContact O-N 2.82Å; A275-Q279 WeakPolarHBondContact O-CA 3.36Å; A275-Q279 PolarHBondContact O-N 3.38Å; A275-F280 HydrophobicContact CB-CE2 4.48Å; A275-F280 WeakPolarHBondContact CB-O 3.25Å; A275-A282 HydrophobicContact CB-CB 3.94Å; A275-A319 HydrophobicContact CB-CB 3.91Å
276I98.8Very high98.7Very high56 Ų5625.4 Ų25.429%0.28714%0.137SC..Hα-helixtrans-64.1-54179.6-66.5162.8000111.3R272 N273 A274 N278 F355R272-I276 HydrophobicContact CG-CD1 4.23Å; R272-I276 WeakPolarHBondContact O-CG1 3.49Å; R272-I276 PolarHBondContact O-N 3.09Å; R272-I276 VanDerWaalsContact O-N 3.12Å; N273-I276 PolarHBondContact O-N 3.03Å; A274-I276 PolarHBondContact O-N 3.16Å; I276-N278 PolarHBondContact O-N 3.28Å; I276-F355 HydrophobicContact CG2-CE2 4.27Å; I276-F355 WeakPolarHBondContact O-CD2 3.18Å; I276-F355 WeakPolarHBondContact O-CE2 3.28Å
277A98.8Very high98.7Very high44 Ų4422.1 Ų22.136%0.36412%0.121SC..Hα-helixtrans-65.1-30.1-17300000112.4N273N273-A277 WeakPolarHBondContact O-CB 3.49Å; N273-A277 PolarHBondContact O-N 3.05Å
278N98.8Very high98.7Very high12 Ų1221.6 Ų21.66%0.06412%0.119CC..Hα-helixtrans-114.9-5-169.3-64.7-71.3000114.5F242 S245 A274 I276 F280 K356F242-N278 WeakPolarHBondContact CA-OD1 3.43Å; S245-N278 PolarHBondContact OG-O 2.79Å; A274-N278 VanDerWaalsContact O-CB 3.24Å; A274-N278 WeakPolarHBondContact O-CB 3.35Å; A274-N278 PolarHBondContact O-N 2.97Å; A274-N278 VanDerWaalsContact O-N 3.14Å; A274-N278 PolarHBondContact O-ND2 2.87Å; I276-N278 PolarHBondContact O-N 3.28Å; N278-F280 HydrophobicContact CB-CD1 3.42Å; N278-F280 VanDerWaalsContact CB-CD1 3.42Å; N278-F280 HydrophobicContact CB-CE1 3.13Å; N278-F280 HydrophobicContact CB-CG 4.45Å; N278-F280 HydrophobicContact CB-CZ 3.98Å; N278-K356 VanDerWaalsContact O-CE 3.26Å; N278-K356 WeakPolarHBondContact O-CE 3.11Å
279Q98.3Very high98.6Very high6 Ų619.5 Ų19.53%0.02811%0.108CC..THydrogen-bonded Turntrans60.448.6171.7-55.1162.1-33.200112.9A275 P321 N346 V349 S350 F355A275-Q279 WeakPolarHBondContact O-CA 3.36Å; A275-Q279 PolarHBondContact O-N 3.38Å; Q279-P321 HydrophobicContact CB-CB 4.43Å; Q279-N346 WeakPolarHBondContact O-CB 3.38Å; Q279-V349 HydrophobicContact CG-CG1 4.08Å; Q279-V349 PolarHBondContact NE2-O 3.08Å; Q279-S350 VanDerWaalsContact CD-CA 3.44Å; Q279-S350 PolarHBondContact OE1-OG 3.12Å; Q279-F355 HydrophobicContact CG-CD2 4.15Å
280F98.8Very high98.4Very high0 Ų017.8 Ų17.80%010%0.102CC..SBendtrans-130.9174.2172.159.6-119.5000110.7W241 I252 A274 A275 N278 A282 N346W241-F280 HydrophobicContact CB-CZ 4.39Å; W241-F280 HydrophobicContact CE3-CE2 4.19Å; W241-F280 AromaticContact CE3-CZ 3.75Å; W241-F280 HydrophobicContact CE3-CZ 3.75Å; W241-F280 HydrophobicContact CZ3-CE2 4.4Å; W241-F280 HydrophobicContact CZ3-CZ 4.39Å; I252-F280 HydrophobicContact CB-CD2 4.3Å; I252-F280 HydrophobicContact CB-CE2 4.03Å; I252-F280 HydrophobicContact CB-CZ 4.37Å; I252-F280 HydrophobicContact CD1-CD1 3.67Å; I252-F280 HydrophobicContact CD1-CD2 4.21Å; I252-F280 HydrophobicContact CD1-CE1 3.28Å; I252-F280 HydrophobicContact CD1-CE2 3.89Å; I252-F280 HydrophobicContact CD1-CG 4.14Å; I252-F280 HydrophobicContact CD1-CZ 3.44Å; I252-F280 VanDerWaalsContact CD1-CZ 3.44Å; I252-F280 HydrophobicContact CG1-CD1 4.05Å; I252-F280 HydrophobicContact CG1-CD2 3.88Å; I252-F280 HydrophobicContact CG1-CE1 4.02Å; I252-F280 HydrophobicContact CG1-CE2 3.86Å; I252-F280 HydrophobicContact CG1-CG 4Å; I252-F280 HydrophobicContact CG1-CZ 3.96Å; A274-F280 HydrophobicContact CB-CE2 4.37Å; A274-F280 HydrophobicContact CB-CZ 3.95Å; A274-F280 WeakPolarHBondContact O-CZ 3.13Å; A275-F280 HydrophobicContact CB-CE2 4.48Å; A275-F280 WeakPolarHBondContact CB-O 3.25Å; N278-F280 HydrophobicContact CB-CD1 3.42Å; N278-F280 VanDerWaalsContact CB-CD1 3.42Å; N278-F280 HydrophobicContact CB-CE1 3.13Å; N278-F280 HydrophobicContact CB-CG 4.45Å; N278-F280 HydrophobicContact CB-CZ 3.98Å; F280-A282 HydrophobicContact CD2-CB 4.44Å; F280-A282 HydrophobicContact CE2-CB 3.95Å; F280-N346 WeakPolarHBondContact CA-OD1 3.25Å
281F98.9Very high98.3Very high0 Ų016.3 Ų16.30%010%0.095CC..EExtended strand (participates in β ladder)trans-86.2130.3166.6-71.5-82.3000112F59 E250 I251 I252 V318 A319 L341 L343 L345 N346F59-F281 HydrophobicContact CB-CE1 3.76Å; F59-F281 HydrophobicContact CB-CZ 4.05Å; F59-F281 AromaticContact CD1-CE1 3.97Å; F59-F281 HydrophobicContact CD1-CE1 3.97Å; F59-F281 HydrophobicContact CD2-CE1 4.26Å; F59-F281 AromaticContact CG-CE1 3.76Å; F59-F281 HydrophobicContact CG-CE1 3.76Å; E250-F281 PolarHBondContact O-N 2.86Å; I251-F281 CarbonylContact C-O 3.55Å; I251-F281 WeakPolarHBondContact CA-O 3.45Å; I251-F281 HydrophobicContact CG1-CB 4.49Å; I251-F281 HydrophobicContact CG2-CB 4.32Å; I252-F281 PolarHBondContact N-O 2.87Å; F281-V318 HydrophobicContact CD1-CG1 4.39Å; F281-A319 CarbonylContact C-O 3.53Å; F281-A319 WeakPolarHBondContact CA-O 3.33Å; F281-L341 HydrophobicContact CB-CD1 4.07Å; F281-L341 HydrophobicContact CD1-CD1 4.11Å; F281-L341 HydrophobicContact CD1-CD2 3.8Å; F281-L341 HydrophobicContact CD1-CG 4.39Å; F281-L341 HydrophobicContact CD2-CB 4.39Å; F281-L341 HydrophobicContact CD2-CD1 4.18Å; F281-L341 HydrophobicContact CE1-CB 4.33Å; F281-L341 HydrophobicContact CE1-CD2 3.78Å; F281-L341 HydrophobicContact CE1-CG 4.47Å; F281-L341 HydrophobicContact CE2-CB 4.09Å; F281-L341 HydrophobicContact CG-CD1 3.86Å; F281-L341 HydrophobicContact CG-CD2 4.39Å; F281-L341 HydrophobicContact CZ-CB 4.05Å; F281-L341 HydrophobicContact CZ-CD2 4.34Å; F281-L343 HydrophobicContact CD2-CD2 4.01Å; F281-L343 HydrophobicContact CE2-CD2 4.17Å; F281-L345 HydrophobicContact CE1-CD2 4.3Å; F281-L345 HydrophobicContact CE2-CB 4.42Å; F281-L345 HydrophobicContact CZ-CB 4.15Å; F281-L345 HydrophobicContact CZ-CD2 3.84Å; F281-N346 WeakPolarHBondContact CD2-OD1 3.22Å; F281-N346 WeakPolarHBondContact CE2-OD1 3.42Å
282A98.9Very high98.2Very high0 Ų020.9 Ų20.90%012%0.116CC..EExtended strand (participates in β ladder)trans-105.9130.4174.700000110.6I252 A271 A275 F280 V318 A319I252-A282 WeakPolarHBondContact O-CA 3.17Å; A271-A282 HydrophobicContact CB-CB 4.29Å; A271-A282 VanDerWaalsContact O-CB 3.25Å; A271-A282 WeakPolarHBondContact O-CB 3.46Å; A275-A282 HydrophobicContact CB-CB 3.94Å; F280-A282 HydrophobicContact CD2-CB 4.44Å; F280-A282 HydrophobicContact CE2-CB 3.95Å; A282-V318 CarbonylContact O-C 3.56Å; A282-V318 VanDerWaalsContact O-CA 3.31Å; A282-V318 WeakPolarHBondContact O-CA 3.37Å; A282-A319 HydrophobicContact CB-CB 4.38Å; A282-A319 PolarHBondContact N-O 3.43Å; A282-A319 PolarHBondContact O-N 3.42Å
283C98.9Very high98.2Very high0 Ų018.7 Ų18.70%011%0.108CC..EExtended strand (participates in β ladder)trans-116.293-178.9-64.70000109.6L76 I252 F253 N254L76-C283 HydrophobicContact CD1-CB 3.95Å; L76-C283 HydrophobicContact CD2-CB 3.9Å; L76-C283 HydrophobicContact CG-CB 4.16Å; I252-C283 PolarHBondContact O-N 3.08Å; F253-C283 HydrophobicContact CD1-CB 3.49Å; F253-C283 VanDerWaalsContact CD1-CB 3.49Å; F253-C283 HydrophobicContact CE1-CB 3.83Å; F253-C283 HydrophobicContact CG-CB 4.14Å; N254-C283 PolarHBondContact N-O 2.72Å
284A98.9Very high98Very high1 Ų122.5 Ų22.51%0.00812%0.12CC..EExtended strand (participates in β ladder)trans-88.2124.9-177.600000110.5W267 A271 S316 Y317W267-A284 HydrophobicContact CH2-CB 4.02Å; W267-A284 HydrophobicContact CZ2-CB 3.7Å; A271-A284 HydrophobicContact CB-CB 3.93Å; A284-S316 CarbonylContact O-C 3.53Å; A284-S316 WeakPolarHBondContact O-CA 3.36Å; A284-S316 WeakPolarHBondContact O-CB 3.39Å; A284-Y317 HydrophobicContact CB-CD1 4Å; A284-Y317 HydrophobicContact CB-CE1 3.73Å; A284-Y317 PolarHBondContact N-O 2.96Å; A284-Y317 PolarHBondContact O-N 2.74Å
285I98.9Very high97.9Very high0 Ų024.6 Ų24.60%014%0.135CC..EExtended strand (participates in β ladder)trans-126.5123.2-177.3-46.4175000108.3L76 V77 C116 Q118 N254 S256 S316L76-I285 HydrophobicContact CB-CD1 4.02Å; L76-I285 HydrophobicContact CB-CG1 3.92Å; L76-I285 HydrophobicContact CD2-CD1 4.45Å; L76-I285 HydrophobicContact CD2-CG1 3.77Å; L76-I285 HydrophobicContact CG-CD1 3.75Å; L76-I285 HydrophobicContact CG-CG1 3.6Å; V77-I285 WeakPolarHBondContact O-CG2 3.38Å; C116-I285 HydrophobicContact CB-CD1 3.67Å; C116-I285 WeakPolarHBondContact O-CD1 3.21Å; Q118-I285 HydrophobicContact CB-CG2 3.93Å; N254-I285 PolarHBondContact O-N 2.82Å; S256-I285 WeakPolarHBondContact CA-O 3.45Å; S256-I285 WeakPolarHBondContact CB-O 3.47Å; S256-I285 PolarHBondContact N-O 3.29Å; I285-S316 WeakPolarHBondContact CA-OG 3.36Å
286N98.8Very high97.8Very high0 Ų030.6 Ų30.60%016%0.163CC..EExtended strand (participates in β ladder)trans-117.8149.2172.3-164.121.7000110.4Q78 S256 A257 T258 W267 G314 S316Q78-N286 WeakPolarHBondContact CB-O 3.09Å; S256-N286 WeakPolarHBondContact O-CA 3.38Å; S256-N286 PolarHBondContact O-OD1 3.23Å; A257-N286 VanDerWaalsContact CA-OD1 3.3Å; A257-N286 WeakPolarHBondContact CA-OD1 3.24Å; T258-N286 PolarHBondContact N-OD1 2.87Å; T258-N286 PolarHBondContact O-ND2 2.81Å; W267-N286 HydrophobicContact CH2-CB 3.72Å; W267-N286 HydrophobicContact CZ2-CB 3.66Å; W267-N286 HydrophobicContact CZ3-CB 4.39Å; N286-G314 WeakPolarHBondContact CB-O 3.5Å; N286-S316 PolarHBondContact N-OG 2.74Å; N286-S316 VanDerWaalsContact N-OG 3.14Å
287R98.6Very high97.7Very high0 Ų028.6 Ų28.60%015%0.152CC..  trans-56.7157.7166.3-178.9171-63.9-114.20.1112.1Q118 E119 T120 M123 S256 A257 E291 F312 G314Q118-R287 VanDerWaalsContact NE2-CG 3.33Å; E119-R287 PolarHBondContact O-NH2 2.8Å; T120-R287 PolarHBondContact O-NH2 3.26Å; M123-R287 PolarHBondContact O-NH1 3.46Å; M123-R287 PolarHBondContact O-NH2 2.8Å; M123-R287 VanDerWaalsContact O-NH2 3.08Å; S256-R287 PolarHBondContact O-N 3.4Å; A257-R287 HydrophobicContact CB-CB 4.25Å; R287-E291 VanDerWaalsContact CD-OE1 3.3Å; R287-E291 WeakPolarHBondContact CD-OE1 3.15Å; R287-E291 IonicContact CZ-OE1 2.85Å; R287-E291 IonicContact NE-OE1 2.86Å; R287-E291 IonicContact NH1-OE1 3.78Å; R287-E291 PolarHBondContact NH1-OE1 3Å; R287-F312 HydrophobicContact CB-CB 3.94Å; R287-F312 HydrophobicContact CB-CD1 3.99Å; R287-F312 HydrophobicContact CB-CD2 4.46Å; R287-F312 HydrophobicContact CB-CG 3.9Å; R287-F312 HydrophobicContact CG-CB 3.89Å; R287-F312 HydrophobicContact CG-CD1 4.17Å; R287-F312 HydrophobicContact CG-CD2 3.76Å; R287-F312 HydrophobicContact CG-CE2 4.32Å; R287-F312 HydrophobicContact CG-CG 3.68Å; R287-F312 CarbonylContact O-C 3.56Å; R287-F312 VanDerWaalsContact O-CB 3.25Å; R287-F312 WeakPolarHBondContact O-CB 3.26Å; R287-G314 WeakPolarHBondContact O-CA 3.25Å; R287-G314 PolarHBondContact O-N 2.79Å
288V97.5Very high97.6Very high1 Ų129.5 Ų29.51%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-124.6156.3171.5-71.70000112.2Q78 H79 R80 F312Q78-V288 HydrophobicContact CG-CG1 4.31Å; Q78-V288 VanDerWaalsContact NE2-CG1 3.33Å; H79-V288 PolarHBondContact O-N 2.91Å; R80-V288 VanDerWaalsContact CA-O 3.31Å; R80-V288 WeakPolarHBondContact CA-O 3.09Å; R80-V288 HydrophobicContact CB-CG2 4.37Å; R80-V288 WeakPolarHBondContact CB-O 3.47Å; V288-F312 WeakPolarHBondContact CA-O 3.47Å
289G95.6Very high97.4Very high13 Ų1329.6 Ų29.613%0.13416%0.155CC..EExtended strand (participates in β ladder)trans95.3-178173.800000113.4F312G289-F312 PolarHBondContact N-O 2.74Å; G289-F312 VanDerWaalsContact N-O 3.14Å; G289-F312 WeakPolarHBondContact O-CB 3.33Å; G289-F312 WeakPolarHBondContact O-CD2 3.33Å; G289-F312 PolarHBondContact O-N 3.48Å
290T94.8Very high97.2Very high68 Ų6832.7 Ų32.742%0.41719%0.189SC..EExtended strand (participates in β ladder)trans-121135.1177.5-57.50000108D308 H311T290-D308 HydrophobicContact CG2-CB 4.28Å; T290-H311 PolarHBondContact OG1-ND1 2.91Å
291E96.2Very high96.8Very high3 Ų336.4 Ų36.41%0.01421%0.209CC..EExtended strand (participates in β ladder)trans-112.2133.6-178.7-58.1-179.7179.600109.6I81 P124 F125 R287 F293 F309 F312I81-E291 HydrophobicContact CD1-CB 4.25Å; I81-E291 HydrophobicContact CD1-CG 3.81Å; I81-E291 HydrophobicContact CG1-CG 4.12Å; I81-E291 WeakPolarHBondContact CG2-OE1 3.25Å; P124-E291 WeakPolarHBondContact CA-OE2 3.26Å; F125-E291 PolarHBondContact N-OE2 3.36Å; R287-E291 VanDerWaalsContact CD-OE1 3.3Å; R287-E291 WeakPolarHBondContact CD-OE1 3.15Å; R287-E291 IonicContact CZ-OE1 2.85Å; R287-E291 IonicContact NE-OE1 2.86Å; R287-E291 IonicContact NH1-OE1 3.78Å; R287-E291 PolarHBondContact NH1-OE1 3Å; E291-F293 HydrophobicContact CB-CE2 4.1Å; E291-F293 HydrophobicContact CB-CZ 4.3Å; E291-F309 PolarHBondContact O-N 3.02Å; E291-F312 HydrophobicContact CG-CD2 4.49Å; E291-F312 HydrophobicContact CG-CE2 4.06Å
292H97.2Very high96.6Very high99 Ų9940.5 Ų40.546%0.45825%0.25SS..EExtended strand (participates in β ladder)trans-114135.5-177.8-174.689.1000109.5T85 H307 D308T85-H292 WeakPolarHBondContact CB-O 3.48Å; T85-H292 WeakPolarHBondContact CG2-O 3.39Å; T85-H292 PolarHBondContact OG1-O 3.3Å; H292-H307 WeakPolarHBondContact CA-O 3.38Å; H292-H307 WeakPolarHBondContact CE1-CB 3.42Å; H292-H307 AromaticContact CE1-CG 3.67Å; H292-H307 WeakPolarHBondContact ND1-CB 3.32Å; H292-H307 AromaticContact NE2-CG 3.88Å; H292-D308 IonicContact CE1-OD1 3.85Å; H292-D308 IonicContact CG-OD1 3.16Å; H292-D308 IonicContact ND1-OD1 3.5Å; H292-D308 PolarHBondContact ND1-OD1 3.21Å
293F98.1Very high96.4Very high1 Ų147.7 Ų47.70%0.00428%0.282CS..EExtended strand (participates in β ladder)trans-116.1149.8-177.5-65.3-82.5000112.1T85 P124 A126 T129 W135 E291 S295 F297 H307 F309T85-F293 HydrophobicContact CG2-CD1 4.09Å; T85-F293 HydrophobicContact CG2-CE1 3.86Å; T85-F293 HydrophobicContact CG2-CZ 4.31Å; P124-F293 HydrophobicContact CB-CE1 3.87Å; P124-F293 HydrophobicContact CB-CZ 3.94Å; A126-F293 HydrophobicContact CB-CD1 4.46Å; A126-F293 HydrophobicContact CB-CE1 3.62Å; A126-F293 HydrophobicContact CB-CZ 4.06Å; T129-F293 HydrophobicContact CG2-CB 4.03Å; T129-F293 HydrophobicContact CG2-CD1 3.92Å; T129-F293 HydrophobicContact CG2-CD2 4.3Å; T129-F293 HydrophobicContact CG2-CG 3.8Å; W135-F293 AromaticContact CH2-CD1 3.76Å; W135-F293 HydrophobicContact CH2-CD1 3.76Å; W135-F293 AromaticContact CH2-CE1 3.9Å; W135-F293 HydrophobicContact CH2-CE1 3.9Å; W135-F293 AromaticContact CZ2-CD1 3.68Å; W135-F293 HydrophobicContact CZ2-CD1 3.68Å; W135-F293 HydrophobicContact CZ2-CE1 4.1Å; W135-F293 HydrophobicContact CZ3-CE1 4.31Å; E291-F293 HydrophobicContact CB-CE2 4.1Å; E291-F293 HydrophobicContact CB-CZ 4.3Å; F293-S295 PolarHBondContact O-N 2.97Å; F293-F297 HydrophobicContact CB-CE1 4.38Å; F293-F297 HydrophobicContact CD2-CE1 4.02Å; F293-H307 PolarHBondContact N-O 2.89Å; F293-H307 WeakPolarHBondContact O-CB 3.46Å; F293-H307 PolarHBondContact O-ND1 2.88Å; F293-F309 HydrophobicContact CE2-CB 4.17Å
294K95.8Very high96.3Very high166 Ų16656.8 Ų56.872%0.72232%0.321SS*.EExtended strand (participates in β ladder)trans-62.2-44.5-176.3-177.5178.5178.4179.90113.3H307K294-H307 PolarHBondContact O-CE1 3.04Å; K294-H307 PolarHBondContact O-ND1 3.36Å
295S96Very high96.2Very high47 Ų4758.6 Ų58.633%0.32934%0.337SS..EExtended strand (participates in β ladder)trans-87.3141.2178.1-600000110.4E131 F293E131-S295 WeakPolarHBondContact OE1-CB 3.28Å; E131-S295 PolarHBondContact OE1-OG 3.09Å; F293-S295 PolarHBondContact O-N 2.97Å
296E97.4Very high96.1Very high125 Ų12561.1 Ų61.158%0.58435%0.348SS*.EExtended strand (participates in β ladder)trans-67.9144.5168.1-66.3-175.2150.500110.7A305 H306 H307E296-A305 HydrophobicContact CB-CB 3.88Å; E296-H306 CarbonylContact C-O 3.59Å; E296-H306 VanDerWaalsContact CA-O 3.28Å; E296-H306 WeakPolarHBondContact CA-O 3.24Å; E296-H307 VanDerWaalsContact CG-NE2 3.28Å; E296-H307 WeakPolarHBondContact CG-NE2 3.3Å; E296-H307 IonicContact OE1-NE2 2.74Å
297F97.3Very high96Very high14 Ų1463.9 Ų63.96%0.06136%0.361CS..EExtended strand (participates in β ladder)trans-136.5171.5171.860.7-87.1000110.7C128 T129 D203 F293 A305 H306C128-F297 HydrophobicContact CB-CD2 3.74Å; C128-F297 HydrophobicContact CB-CE1 4.37Å; C128-F297 HydrophobicContact CB-CE2 3.41Å; C128-F297 VanDerWaalsContact CB-CE2 3.41Å; C128-F297 HydrophobicContact CB-CG 4.35Å; C128-F297 HydrophobicContact CB-CZ 3.78Å; C128-F297 VanDerWaalsContact SG-CE1 3.59Å; C128-F297 WeakPolarHBondContact SG-CZ 3.42Å; T129-F297 HydrophobicContact CG2-CD1 4.34Å; D203-F297 WeakPolarHBondContact OD1-CE2 3.47Å; F293-F297 HydrophobicContact CB-CE1 4.38Å; F293-F297 HydrophobicContact CD2-CE1 4.02Å; F297-A305 VanDerWaalsContact O-CA 3.23Å; F297-A305 WeakPolarHBondContact O-CA 3.49Å; F297-H306 AromaticContact CD2-CE1 3.9Å; F297-H306 AromaticContact CE2-CE1 3.2Å; F297-H306 WeakPolarHBondContact CE2-CE1 3.5Å; F297-H306 AromaticContact CE2-ND1 3.8Å; F297-H306 AromaticContact CZ-CE1 3.5Å; F297-H306 VanDerWaalsContact CZ-CE1 3.5Å; F297-H306 WeakPolarHBondContact CZ-CE1 3.5Å; F297-H306 AromaticContact CZ-ND1 3.68Å; F297-H306 PolarHBondContact N-O 3.32Å; F297-H306 PolarHBondContact O-N 3.43Å
298T96.3Very high95.8Very high63 Ų6367.7 Ų67.739%0.38738%0.381SS..  trans-124.1142.9179.659.20000111.2R130 G300 A305R130-T298 PolarHBondContact NH2-O 3.25Å; T298-G300 VanDerWaalsContact C-N 3.34Å; T298-G300 PolarHBondContact O-N 2.89Å; T298-A305 HydrophobicContact CG2-CB 3.83Å
299S94.3Very high95.4Very high14 Ų1467.9 Ų67.910%0.09838%0.382CS..  trans-87.83.2-175.9-50.50000114.6G202 D203 D301 H306G202-S299 WeakPolarHBondContact CA-O 3.33Å; D203-S299 WeakPolarHBondContact OD1-CA 3.49Å; D203-S299 VanDerWaalsContact OD1-CB 3.25Å; D203-S299 WeakPolarHBondContact OD1-CB 3.21Å; D203-S299 PolarHBondContact OD1-OG 3.38Å; D203-S299 WeakPolarHBondContact OD2-CB 3.27Å; D203-S299 PolarHBondContact OD2-OG 3.46Å; S299-D301 VanDerWaalsContact C-N 3.29Å; S299-D301 PolarHBondContact O-N 3.43Å; S299-H306 PolarHBondContact OG-NE2 2.88Å
300G92.9Very high95.1Very high72 Ų7268.4 Ų68.474%0.74239%0.388SS*.SBendtrans71.917.7-178.500000114.8T298T298-G300 VanDerWaalsContact C-N 3.34Å; T298-G300 PolarHBondContact O-N 2.89Å
301D92.3Very high95Very high78 Ų7866.5 Ų66.542%0.41737%0.374SS..SBendtrans-108.49.4-17769.2-12.2000113.7S299 K303S299-D301 VanDerWaalsContact C-N 3.29Å; S299-D301 PolarHBondContact O-N 3.43Å; D301-K303 VanDerWaalsContact C-N 3.26Å; D301-K303 PolarHBondContact O-N 3.43Å; D301-K303 VanDerWaalsContact OD1-CB 3.32Å; D301-K303 WeakPolarHBondContact OD1-CB 3.17Å; D301-K303 WeakPolarHBondContact OD1-CG 3.39Å; D301-K303 PolarHBondContact OD1-N 2.93Å; D301-K303 VanDerWaalsContact OD1-N 3.07Å; D301-K303 VanDerWaalsContact OD2-CD 3.23Å; D301-K303 WeakPolarHBondContact OD2-CD 3.36Å; D301-K303 VanDerWaalsContact OD2-CE 3.26Å; D301-K303 WeakPolarHBondContact OD2-CE 3.21Å; D301-K303 WeakPolarHBondContact OD2-CG 3.12Å; D301-K303 IonicContact OD2-NZ 3.52Å; D301-K303 PolarHBondContact OD2-NZ 3.47Å
302G94.8Very high95.1Very high85 Ų8566.4 Ų66.488%0.87637%0.373SS*.SBendtrans773-178.500000114.9
303K93.9Very high95.1Very high151 Ų15161.7 Ų61.766%0.65735%0.352SS*.PPolyproline II helixtrans-78.3169.4172.4-62.4-175.5-168.2126.10111.6D301D301-K303 VanDerWaalsContact C-N 3.26Å; D301-K303 PolarHBondContact O-N 3.43Å; D301-K303 VanDerWaalsContact OD1-CB 3.32Å; D301-K303 WeakPolarHBondContact OD1-CB 3.17Å; D301-K303 WeakPolarHBondContact OD1-CG 3.39Å; D301-K303 PolarHBondContact OD1-N 2.93Å; D301-K303 VanDerWaalsContact OD1-N 3.07Å; D301-K303 VanDerWaalsContact OD2-CD 3.23Å; D301-K303 WeakPolarHBondContact OD2-CD 3.36Å; D301-K303 VanDerWaalsContact OD2-CE 3.26Å; D301-K303 WeakPolarHBondContact OD2-CE 3.21Å; D301-K303 WeakPolarHBondContact OD2-CG 3.12Å; D301-K303 IonicContact OD2-NZ 3.52Å; D301-K303 PolarHBondContact OD2-NZ 3.47Å
304K97Very high95Very high191 Ų19161.6 Ų61.683%0.8335%0.351SS*.PPolyproline II helixtrans-63.4154.7175.7-66.4-174.2179.1-1770111
305A97.4Very high95.1Very high40 Ų4054.7 Ų54.733%0.33132%0.324SS..PPolyproline II helixtrans-60.1149.516900000110.4E296 F297 T298E296-A305 HydrophobicContact CB-CB 3.88Å; F297-A305 VanDerWaalsContact O-CA 3.23Å; F297-A305 WeakPolarHBondContact O-CA 3.49Å; T298-A305 HydrophobicContact CG2-CB 3.83Å
306H96.7Very high95.3Very high53 Ų5352.4 Ų52.425%0.24531%0.308CS..EExtended strand (participates in β ladder)trans-153.2172.7-175.762.767.6000109.7E296 F297 S299 D308E296-H306 CarbonylContact C-O 3.59Å; E296-H306 VanDerWaalsContact CA-O 3.28Å; E296-H306 WeakPolarHBondContact CA-O 3.24Å; F297-H306 AromaticContact CD2-CE1 3.9Å; F297-H306 AromaticContact CE2-CE1 3.2Å; F297-H306 WeakPolarHBondContact CE2-CE1 3.5Å; F297-H306 AromaticContact CE2-ND1 3.8Å; F297-H306 AromaticContact CZ-CE1 3.5Å; F297-H306 VanDerWaalsContact CZ-CE1 3.5Å; F297-H306 WeakPolarHBondContact CZ-CE1 3.5Å; F297-H306 AromaticContact CZ-ND1 3.68Å; F297-H306 PolarHBondContact N-O 3.32Å; F297-H306 PolarHBondContact O-N 3.43Å; S299-H306 PolarHBondContact OG-NE2 2.88Å; H306-D308 PolarHBondContact CE1-O 3Å; H306-D308 PolarHBondContact ND1-O 3.47Å; H306-D308 VanDerWaalsContact ND1-O 3.08Å
307H96.9Very high95.3Very high58 Ų5846.5 Ų46.527%0.26928%0.28SS..EExtended strand (participates in β ladder)trans-109-17.2-176.7-68.6-90.5000113.6H292 F293 K294 E296H292-H307 WeakPolarHBondContact CA-O 3.38Å; H292-H307 WeakPolarHBondContact CE1-CB 3.42Å; H292-H307 AromaticContact CE1-CG 3.67Å; H292-H307 WeakPolarHBondContact ND1-CB 3.32Å; H292-H307 AromaticContact NE2-CG 3.88Å; F293-H307 PolarHBondContact N-O 2.89Å; F293-H307 WeakPolarHBondContact O-CB 3.46Å; F293-H307 PolarHBondContact O-ND1 2.88Å; K294-H307 PolarHBondContact O-CE1 3.04Å; K294-H307 PolarHBondContact O-ND1 3.36Å; E296-H307 VanDerWaalsContact CG-NE2 3.28Å; E296-H307 WeakPolarHBondContact CG-NE2 3.3Å; E296-H307 IonicContact OE1-NE2 2.74Å
308D93.3Very high95.4Very high80 Ų8045.8 Ų45.843%0.42828%0.277SS..EExtended strand (participates in β ladder)trans-95.3126.2-172.5-64.3-43.7000110.7T290 H292 H306 G310T290-D308 HydrophobicContact CG2-CB 4.28Å; H292-D308 IonicContact CE1-OD1 3.85Å; H292-D308 IonicContact CG-OD1 3.16Å; H292-D308 IonicContact ND1-OD1 3.5Å; H292-D308 PolarHBondContact ND1-OD1 3.21Å; H306-D308 PolarHBondContact CE1-O 3Å; H306-D308 PolarHBondContact ND1-O 3.47Å; H306-D308 VanDerWaalsContact ND1-O 3.08Å; D308-G310 PolarHBondContact O-N 2.97Å
309F90.3Very high95.5Very high4 Ų442.8 Ų42.82%0.01826%0.259CS..EExtended strand (participates in β ladder)trans-62.7-25.7176-170.4-91.5000113.1F125 C128 D203 F204 V259 E291 F293 F312F125-F309 HydrophobicContact CD1-CE1 4.13Å; F125-F309 AromaticContact CD1-CE2 3.81Å; F125-F309 HydrophobicContact CD1-CE2 3.81Å; F125-F309 AromaticContact CD1-CZ 3.52Å; F125-F309 HydrophobicContact CD1-CZ 3.52Å; F125-F309 HydrophobicContact CE1-CE2 4.48Å; F125-F309 AromaticContact CE1-CZ 3.98Å; F125-F309 HydrophobicContact CE1-CZ 3.98Å; C128-F309 HydrophobicContact CB-CD2 3.37Å; C128-F309 HydrophobicContact CB-CE2 3.49Å; C128-F309 VanDerWaalsContact CB-CE2 3.49Å; C128-F309 WeakPolarHBondContact SG-CD2 3.35Å; D203-F309 HydrophobicContact CB-CD2 4.32Å; D203-F309 HydrophobicContact CB-CE2 3.8Å; D203-F309 HydrophobicContact CB-CZ 4.06Å; F204-F309 HydrophobicContact CD1-CZ 4.16Å; F204-F309 AromaticContact CE1-CE1 3.95Å; F204-F309 HydrophobicContact CE1-CE1 3.95Å; F204-F309 AromaticContact CE1-CZ 3.68Å; F204-F309 HydrophobicContact CE1-CZ 3.68Å; F204-F309 HydrophobicContact CE2-CE1 4.39Å; F204-F309 HydrophobicContact CE2-CZ 4.22Å; F204-F309 AromaticContact CZ-CE1 3.69Å; F204-F309 HydrophobicContact CZ-CE1 3.69Å; F204-F309 AromaticContact CZ-CZ 3.72Å; F204-F309 HydrophobicContact CZ-CZ 3.72Å; V259-F309 HydrophobicContact CG1-CD1 3.64Å; V259-F309 HydrophobicContact CG1-CE1 3.63Å; E291-F309 PolarHBondContact O-N 3.02Å; F293-F309 HydrophobicContact CE2-CB 4.17Å; F309-F312 AromaticContact CD1-CE1 3.83Å; F309-F312 HydrophobicContact CD1-CE1 3.83Å; F309-F312 AromaticContact CD1-CE2 3.72Å; F309-F312 HydrophobicContact CD1-CE2 3.72Å; F309-F312 AromaticContact CD1-CZ 3.21Å; F309-F312 HydrophobicContact CD1-CZ 3.21Å; F309-F312 AromaticContact CE1-CE1 3.52Å; F309-F312 HydrophobicContact CE1-CE1 3.52Å; F309-F312 HydrophobicContact CE1-CE2 4.25Å; F309-F312 AromaticContact CE1-CZ 3.3Å; F309-F312 HydrophobicContact CE1-CZ 3.3Å; F309-F312 HydrophobicContact CG-CE2 4.39Å; F309-F312 HydrophobicContact CG-CZ 4.07Å; F309-F312 HydrophobicContact CZ-CE1 4.47Å; F309-F312 HydrophobicContact CZ-CZ 4.19Å
310G88.7Confident95.8Very high25 Ų2542.1 Ų42.126%0.25825%0.254SS..EExtended strand (participates in β ladder)trans106.1174.9-168.300000112.2D308D308-G310 PolarHBondContact O-N 2.97Å
311H93.2Very high96Very high28 Ų2838.8 Ų38.813%0.1322%0.22CC..EExtended strand (participates in β ladder)trans-90114.3-172.4-170.965.1000111.6V259 G260 T290 R331V259-H311 WeakPolarHBondContact CA-O 3.43Å; V259-H311 WeakPolarHBondContact CB-O 3.3Å; G260-H311 PolarHBondContact N-O 2.87Å; T290-H311 PolarHBondContact OG1-ND1 2.91Å; H311-R331 PolarHBondContact NE2-O 2.84Å
312F96.7Very high96.3Very high0 Ų037.7 Ų37.70%021%0.214CC..EExtended strand (participates in β ladder)trans-72.3123.8165.8-61.2-76.8000109.1F125 A257 V259 R287 V288 G289 E291 F309F125-F312 HydrophobicContact CB-CE2 4.29Å; F125-F312 HydrophobicContact CB-CZ 3.65Å; F125-F312 HydrophobicContact CD1-CE1 4.46Å; F125-F312 HydrophobicContact CD1-CZ 4.16Å; F125-F312 HydrophobicContact CG-CE1 4.48Å; F125-F312 HydrophobicContact CG-CZ 4.04Å; A257-F312 HydrophobicContact CB-CD1 4.21Å; A257-F312 HydrophobicContact CB-CE1 3.73Å; A257-F312 HydrophobicContact CB-CZ 4.46Å; V259-F312 HydrophobicContact CG1-CD1 3.8Å; V259-F312 HydrophobicContact CG1-CE1 3.89Å; V259-F312 HydrophobicContact CG1-CG 4.21Å; V259-F312 HydrophobicContact CG1-CZ 4.39Å; R287-F312 HydrophobicContact CB-CB 3.94Å; R287-F312 HydrophobicContact CB-CD1 3.99Å; R287-F312 HydrophobicContact CB-CD2 4.46Å; R287-F312 HydrophobicContact CB-CG 3.9Å; R287-F312 HydrophobicContact CG-CB 3.89Å; R287-F312 HydrophobicContact CG-CD1 4.17Å; R287-F312 HydrophobicContact CG-CD2 3.76Å; R287-F312 HydrophobicContact CG-CE2 4.32Å; R287-F312 HydrophobicContact CG-CG 3.68Å; R287-F312 CarbonylContact O-C 3.56Å; R287-F312 VanDerWaalsContact O-CB 3.25Å; R287-F312 WeakPolarHBondContact O-CB 3.26Å; V288-F312 WeakPolarHBondContact CA-O 3.47Å; G289-F312 PolarHBondContact N-O 2.74Å; G289-F312 VanDerWaalsContact N-O 3.14Å; G289-F312 WeakPolarHBondContact O-CB 3.33Å; G289-F312 WeakPolarHBondContact O-CD2 3.33Å; G289-F312 PolarHBondContact O-N 3.48Å; E291-F312 HydrophobicContact CG-CD2 4.49Å; E291-F312 HydrophobicContact CG-CE2 4.06Å; F309-F312 AromaticContact CD1-CE1 3.83Å; F309-F312 HydrophobicContact CD1-CE1 3.83Å; F309-F312 AromaticContact CD1-CE2 3.72Å; F309-F312 HydrophobicContact CD1-CE2 3.72Å; F309-F312 AromaticContact CD1-CZ 3.21Å; F309-F312 HydrophobicContact CD1-CZ 3.21Å; F309-F312 AromaticContact CE1-CE1 3.52Å; F309-F312 HydrophobicContact CE1-CE1 3.52Å; F309-F312 HydrophobicContact CE1-CE2 4.25Å; F309-F312 AromaticContact CE1-CZ 3.3Å; F309-F312 HydrophobicContact CE1-CZ 3.3Å; F309-F312 HydrophobicContact CG-CE2 4.39Å; F309-F312 HydrophobicContact CG-CZ 4.07Å; F309-F312 HydrophobicContact CZ-CE1 4.47Å; F309-F312 HydrophobicContact CZ-CZ 4.19Å
313Y96.9Very high96.5Very high0 Ų034.3 Ų34.30%018%0.178CC..EExtended strand (participates in β ladder)trans-99.813.6-164.160.7-97.9000114.4T258 E264 W267 S315 R331T258-Y313 HydrophobicContact CG2-CE1 3.72Å; T258-Y313 WeakPolarHBondContact CG2-OH 2.95Å; T258-Y313 WeakPolarHBondContact O-CD1 3.41Å; T258-Y313 VanDerWaalsContact O-CE1 3.29Å; T258-Y313 WeakPolarHBondContact O-CE1 3.04Å; E264-Y313 HydrophobicContact CB-CD1 4.09Å; E264-Y313 HydrophobicContact CB-CD2 4.47Å; E264-Y313 HydrophobicContact CB-CE1 3.92Å; E264-Y313 HydrophobicContact CB-CE2 4.35Å; E264-Y313 HydrophobicContact CB-CG 4.36Å; E264-Y313 HydrophobicContact CG-CD1 4.41Å; E264-Y313 HydrophobicContact CG-CD2 4.01Å; E264-Y313 HydrophobicContact CG-CE1 4.48Å; E264-Y313 HydrophobicContact CG-CE2 4.12Å; E264-Y313 HydrophobicContact CG-CG 4.17Å; W267-Y313 HydrophobicContact CB-CE2 3.85Å; W267-Y313 WeakPolarHBondContact CB-OH 3.34Å; W267-Y313 AromaticContact CD1-CE2 3.83Å; W267-Y313 AromaticContact CD2-CE2 3.85Å; W267-Y313 HydrophobicContact CD2-CE2 3.85Å; W267-Y313 HydrophobicContact CE3-CE2 4.4Å; W267-Y313 VanDerWaalsContact CE3-OH 3.3Å; W267-Y313 AromaticContact CG-CE2 3.58Å; W267-Y313 HydrophobicContact CG-CE2 3.58Å; Y313-S315 PolarHBondContact O-N 2.82Å; Y313-S315 PolarHBondContact O-OG 3.15Å; Y313-R331 CarbonylContact C-O 3.51Å; Y313-R331 WeakPolarHBondContact O-CA 3.19Å; Y313-R331 WeakPolarHBondContact O-CB 3.24Å; Y313-R331 WeakPolarHBondContact O-CG 3.37Å
314G97.7Very high96.7Very high0 Ų027.3 Ų27.30%015%0.148CC..  trans50.1-114.3175.900000113N286 R287 S316N286-G314 WeakPolarHBondContact CB-O 3.5Å; R287-G314 WeakPolarHBondContact O-CA 3.25Å; R287-G314 PolarHBondContact O-N 2.79Å; G314-S316 PolarHBondContact O-N 3.39Å
315S98Very high96.8Very high20 Ų2018.9 Ų18.914%0.1411%0.111CC..  trans60.531.3177.8-52.10000112.8W267 Y313 Y317 L329 S330 R331W267-S315 PolarHBondContact NE1-O 2.83Å; Y313-S315 PolarHBondContact O-N 2.82Å; Y313-S315 PolarHBondContact O-OG 3.15Å; S315-Y317 WeakPolarHBondContact O-CD1 3.49Å; S315-L329 WeakPolarHBondContact CA-O 3.48Å; S315-S330 PolarHBondContact N-O 3.5Å; S315-R331 VanDerWaalsContact OG-CG 3.25Å; S315-R331 WeakPolarHBondContact OG-CG 3.29Å
316S98.8Very high96.9Very high0 Ų017 Ų170%010%0.096CC..  trans-60.7139.8178.4-55.50000110.6Q78 A284 I285 N286 G314 G328 L329Q78-S316 VanDerWaalsContact OE1-CB 3.24Å; Q78-S316 PolarHBondContact OE1-OG 3.41Å; A284-S316 CarbonylContact O-C 3.53Å; A284-S316 WeakPolarHBondContact O-CA 3.36Å; A284-S316 WeakPolarHBondContact O-CB 3.39Å; I285-S316 WeakPolarHBondContact CA-OG 3.36Å; N286-S316 PolarHBondContact N-OG 2.74Å; N286-S316 VanDerWaalsContact N-OG 3.14Å; G314-S316 PolarHBondContact O-N 3.39Å; S316-G328 CarbonylContact O-C 3.59Å; S316-G328 WeakPolarHBondContact O-CA 3.45Å; S316-L329 PolarHBondContact O-N 3.22Å
317Y98.9Very high96.9Very high0 Ų015.4 Ų15.40%09%0.09CC..EExtended strand (participates in β ladder)trans-154166.3-174.972.4-87.1000112.5W267 R272 A284 S315 A319 R325W267-Y317 AromaticContact CD1-CE1 3.82Å; W267-Y317 HydrophobicContact CG-CE1 4.42Å; W267-Y317 AromaticContact NE1-CD1 3.68Å; W267-Y317 AromaticContact NE1-CE1 3.6Å; W267-Y317 WeakPolarHBondContact O-CE1 3.46Å; W267-Y317 PolarHBondContact O-OH 3.3Å; R272-Y317 HydrophobicContact CB-CE2 4.46Å; R272-Y317 PolarHBondContact N-OH 3Å; A284-Y317 HydrophobicContact CB-CD1 4Å; A284-Y317 HydrophobicContact CB-CE1 3.73Å; A284-Y317 PolarHBondContact N-O 2.96Å; A284-Y317 PolarHBondContact O-N 2.74Å; S315-Y317 WeakPolarHBondContact O-CD1 3.49Å; Y317-A319 HydrophobicContact CD2-CB 4.46Å; Y317-A319 HydrophobicContact CE2-CB 4.03Å; Y317-R325 VanDerWaalsContact CB-NH2 3.34Å; Y317-R325 VanDerWaalsContact CD1-NH2 3.28Å; Y317-R325 HydrophobicContact CD2-CB 4.34Å; Y317-R325 VanDerWaalsContact CG-CZ 3.47Å
318V98.9Very high97Very high0 Ų012.7 Ų12.70%08%0.078CC..EExtended strand (participates in β ladder)trans-116132.6170.8-1800000110.2F59 V74 L76 F281 A282 R325 T326 L337 V339 L341F59-V318 HydrophobicContact CE2-CB 4.36Å; F59-V318 HydrophobicContact CE2-CG1 4.09Å; F59-V318 HydrophobicContact CZ-CG1 4.46Å; V74-V318 HydrophobicContact CG2-CG2 4.41Å; L76-V318 HydrophobicContact CD1-CG2 4.05Å; L76-V318 HydrophobicContact CD2-CG2 3.85Å; F281-V318 HydrophobicContact CD1-CG1 4.39Å; A282-V318 CarbonylContact O-C 3.56Å; A282-V318 VanDerWaalsContact O-CA 3.31Å; A282-V318 WeakPolarHBondContact O-CA 3.37Å; V318-R325 CarbonylContact O-C 3.54Å; V318-R325 VanDerWaalsContact O-CA 3.26Å; V318-R325 WeakPolarHBondContact O-CA 3.38Å; V318-R325 WeakPolarHBondContact O-CB 3.25Å; V318-T326 HydrophobicContact CB-CG2 4.13Å; V318-T326 PolarHBondContact N-OG1 2.7Å; V318-T326 PolarHBondContact O-N 2.92Å; V318-L337 HydrophobicContact CG2-CD2 4.22Å; V318-V339 HydrophobicContact CB-CG2 4.14Å; V318-V339 HydrophobicContact CG2-CB 4.23Å; V318-V339 HydrophobicContact CG2-CG2 3.62Å; V318-L341 HydrophobicContact CG1-CD2 4.14Å
319A98.9Very high97.2Very high0 Ų09 Ų90%06%0.058CC..EExtended strand (participates in β ladder)trans-108.7136170.800000110.9R272 A275 F281 A282 Y317 R325R272-A319 HydrophobicContact CB-CB 4.2Å; R272-A319 HydrophobicContact CG-CB 4.07Å; A275-A319 HydrophobicContact CB-CB 3.91Å; F281-A319 CarbonylContact C-O 3.53Å; F281-A319 WeakPolarHBondContact CA-O 3.33Å; A282-A319 HydrophobicContact CB-CB 4.38Å; A282-A319 PolarHBondContact N-O 3.43Å; A282-A319 PolarHBondContact O-N 3.42Å; Y317-A319 HydrophobicContact CD2-CB 4.46Å; Y317-A319 HydrophobicContact CE2-CB 4.03Å; A319-R325 HydrophobicContact CB-CB 4.1Å
320G98.6Very high97.5Very high0 Ų08.8 Ų8.80%06%0.057CC..  trans-90.2158.5175.800000112.9D322 G323 S324G320-D322 PolarHBondContact O-N 3.24Å; G320-G323 PolarHBondContact O-N 3.35Å; G320-S324 PolarHBondContact N-O 2.73Å
321P98.7Very high97.9Very high2 Ų28.1 Ų8.11%0.0135%0.047CC..THydrogen-bonded Turntrans-64.4-24.2179.429.9-39.8000113Q279 G323 L345 N346 V349Q279-P321 HydrophobicContact CB-CB 4.43Å; P321-G323 PolarHBondContact O-N 2.78Å; P321-L345 HydrophobicContact CG-CB 4.31Å; P321-L345 HydrophobicContact CG-CD2 3.89Å; P321-L345 HydrophobicContact CG-CG 3.76Å; P321-N346 WeakPolarHBondContact CG-OD1 3.37Å; P321-V349 HydrophobicContact CB-CB 4.21Å; P321-V349 HydrophobicContact CB-CG1 4.2Å; P321-V349 HydrophobicContact CB-CG2 4.24Å; P321-V349 HydrophobicContact CG-CB 4.49Å; P321-V349 HydrophobicContact CG-CG2 4.09Å; P321-V349 WeakPolarHBondContact O-CG1 3.49Å
322D98.4Very high98Very high55 Ų558.7 Ų8.729%0.2945%0.052SC..THydrogen-bonded Turntrans-79.84.2178.771.6-18.3000113.5G320 S324 V349G320-D322 PolarHBondContact O-N 3.24Å; D322-S324 VanDerWaalsContact C-N 3.3Å; D322-S324 WeakPolarHBondContact OD1-CB 3.48Å; D322-S324 PolarHBondContact OD1-N 3.21Å; D322-S324 PolarHBondContact OD1-OG 2.78Å; D322-S324 PolarHBondContact OD2-OG 3.46Å; D322-V349 HydrophobicContact CB-CG2 3.79Å
323G98.4Very high98Very high13 Ų1313.4 Ų13.413%0.1347%0.07CC..SBendtrans84.5-3.7-178.200000114.8R272 G320 P321R272-G323 PolarHBondContact NE-O 3.49Å; R272-G323 PolarHBondContact NH2-O 3.48Å; G320-G323 PolarHBondContact O-N 3.35Å; P321-G323 PolarHBondContact O-N 2.78Å
324S98.6Very high98.1Very high4 Ų413.7 Ų13.73%0.0287%0.072CC..  trans-72.3157.7169.367.90000111.7F30 R32 F59 G320 D322F30-S324 CarbonylContact O-C 3.6Å; F30-S324 WeakPolarHBondContact O-CA 3.42Å; R32-S324 WeakPolarHBondContact O-CB 3.27Å; F59-S324 WeakPolarHBondContact CD1-OG 3.41Å; F59-S324 WeakPolarHBondContact CE1-OG 3.26Å; G320-S324 PolarHBondContact N-O 2.73Å; D322-S324 VanDerWaalsContact C-N 3.3Å; D322-S324 WeakPolarHBondContact OD1-CB 3.48Å; D322-S324 PolarHBondContact OD1-N 3.21Å; D322-S324 PolarHBondContact OD1-OG 2.78Å; D322-S324 PolarHBondContact OD2-OG 3.46Å
325R98.8Very high98.2Very high14 Ų1413.7 Ų13.75%0.0537%0.072CC..BIsolated β-bridgetrans-151.9156175.758.5163.7-71.8171.7-3.4111.8F30 P268 Y317 V318 A319F30-R325 HydrophobicContact CB-CG 4.2Å; F30-R325 HydrophobicContact CD1-CG 4.03Å; F30-R325 WeakPolarHBondContact O-CG 3.48Å; F30-R325 PolarHBondContact O-N 3.19Å; P268-R325 VanDerWaalsContact CA-NH1 3.33Å; Y317-R325 VanDerWaalsContact CB-NH2 3.34Å; Y317-R325 VanDerWaalsContact CD1-NH2 3.28Å; Y317-R325 HydrophobicContact CD2-CB 4.34Å; Y317-R325 VanDerWaalsContact CG-CZ 3.47Å; V318-R325 CarbonylContact O-C 3.54Å; V318-R325 VanDerWaalsContact O-CA 3.26Å; V318-R325 WeakPolarHBondContact O-CA 3.38Å; V318-R325 WeakPolarHBondContact O-CB 3.25Å; A319-R325 HydrophobicContact CB-CB 4.1Å
326T98.8Very high98.2Very high0 Ų012.7 Ų12.70%07%0.065CC..PPolyproline II helixtrans-70.3158171.268.70000110.9Y57 F59 V318 V339Y57-T326 HydrophobicContact CD2-CG2 3.98Å; Y57-T326 HydrophobicContact CG-CG2 4.02Å; F59-T326 HydrophobicContact CE2-CG2 3.56Å; F59-T326 HydrophobicContact CZ-CG2 3.86Å; V318-T326 HydrophobicContact CB-CG2 4.13Å; V318-T326 PolarHBondContact N-OG1 2.7Å; V318-T326 PolarHBondContact O-N 2.92Å; T326-V339 HydrophobicContact CG2-CG1 4.26Å; T326-V339 HydrophobicContact CG2-CG2 4.15Å
327P97.9Very high98.2Very high20 Ų2012.7 Ų12.713%0.137%0.065CC..PPolyproline II helixtrans-48.5153153.5-31.440.7000112.4E10 Y57E10-P327 HydrophobicContact CG-CB 3.82Å; E10-P327 HydrophobicContact CG-CG 4.37Å; E10-P327 WeakPolarHBondContact OE1-CA 3.43Å; Y57-P327 HydrophobicContact CE1-CG 3.88Å; Y57-P327 HydrophobicContact CE2-CG 4.49Å; Y57-P327 WeakPolarHBondContact OH-CG 3.4Å
328G97.8Very high98.2Very high2 Ų212.7 Ų12.72%0.0217%0.065CC..PPolyproline II helixtrans-71.2151.8167.200000112.7E10 K55 S316E10-G328 PolarHBondContact OE1-N 2.93Å; K55-G328 PolarHBondContact NZ-O 2.89Å; K55-G328 VanDerWaalsContact NZ-O 3.11Å; S316-G328 CarbonylContact O-C 3.59Å; S316-G328 WeakPolarHBondContact O-CA 3.45Å
329L98.4Very high98.2Very high1 Ų112.7 Ų12.71%0.0057%0.065CC..PPolyproline II helixtrans-66.1171.2155.9-68.5-173.1000110.7E53 K55 Q78 S315 S316 L337E53-L329 HydrophobicContact CG-CD2 4.38Å; E53-L329 WeakPolarHBondContact OE2-CA 3.16Å; K55-L329 HydrophobicContact CB-CD2 4.01Å; K55-L329 HydrophobicContact CD-CD2 3.82Å; K55-L329 HydrophobicContact CG-CD2 4.3Å; Q78-L329 HydrophobicContact CG-CD1 3.74Å; S315-L329 WeakPolarHBondContact CA-O 3.48Å; S316-L329 PolarHBondContact O-N 3.22Å; L329-L337 HydrophobicContact CD1-CB 3.84Å; L329-L337 HydrophobicContact CD2-CB 3.89Å; L329-L337 HydrophobicContact CD2-CD1 4.21Å; L329-L337 HydrophobicContact CG-CB 3.88Å
330S97.1Very high98.2Very high0 Ų013.8 Ų13.80%07%0.07CC..PPolyproline II helixtrans-53.5150.5177-179.20000112.3E53 Q78 S315 T332 R333E53-S330 WeakPolarHBondContact OE2-CB 3.26Å; E53-S330 PolarHBondContact OE2-N 2.65Å; Q78-S330 PolarHBondContact NE2-O 3.43Å; S315-S330 PolarHBondContact N-O 3.5Å; S330-T332 VanDerWaalsContact C-N 3.32Å; S330-T332 PolarHBondContact OG-N 3.47Å; S330-T332 VanDerWaalsContact OG-N 3.15Å; S330-T332 PolarHBondContact OG-OG1 3.17Å; S330-R333 PolarHBondContact OG-N 2.84Å
331R96.4Very high98.2Very high12 Ų1213.8 Ų13.85%0.0457%0.07CC..SBendtrans-78-19.2172-66.3173.473.6-106.61113.7A3 F6 E7 E264 H311 Y313 S315A3-R331 PolarHBondContact O-NH1 3.18Å; F6-R331 WeakPolarHBondContact O-CD 2.96Å; F6-R331 PolarHBondContact O-NH1 2.96Å; E7-R331 PolarHBondContact O-N 3.35Å; E264-R331 VanDerWaalsContact CD-NH2 3.32Å; E264-R331 IonicContact OE1-CZ 3.31Å; E264-R331 VanDerWaalsContact OE1-CZ 3.24Å; E264-R331 IonicContact OE1-NE 2.76Å; E264-R331 PolarHBondContact OE1-NE 3.34Å; E264-R331 IonicContact OE1-NH2 2.7Å; E264-R331 PolarHBondContact OE1-NH2 3.2Å; E264-R331 IonicContact OE2-CZ 3.3Å; E264-R331 IonicContact OE2-NE 3.84Å; E264-R331 IonicContact OE2-NH2 3.64Å; E264-R331 PolarHBondContact OE2-NH2 3.23Å; H311-R331 PolarHBondContact NE2-O 2.84Å; Y313-R331 CarbonylContact C-O 3.51Å; Y313-R331 WeakPolarHBondContact O-CA 3.19Å; Y313-R331 WeakPolarHBondContact O-CB 3.24Å; Y313-R331 WeakPolarHBondContact O-CG 3.37Å; S315-R331 VanDerWaalsContact OG-CG 3.25Å; S315-R331 WeakPolarHBondContact OG-CG 3.29Å
332T95Very high98.2Very high39 Ų3914 Ų1424%0.2397%0.071CC..SBendtrans-128.7-10.3-165.157.20000114S330S330-T332 VanDerWaalsContact C-N 3.32Å; S330-T332 PolarHBondContact OG-N 3.47Å; S330-T332 VanDerWaalsContact OG-N 3.15Å; S330-T332 PolarHBondContact OG-OG1 3.17Å
333R97.4Very high98.2Very high100 Ų10011.6 Ų11.638%0.3776%0.058SC..SBendtrans-113.9146-174.9-58.5179.962.6-167.8-3.8111.9Q78 S330Q78-R333 PolarHBondContact NE2-O 2.93Å; S330-R333 PolarHBondContact OG-N 2.84Å
334D98.8Very high98.3Very high5 Ų511.1 Ų11.13%0.0275%0.052CC..  trans-53.3146.3161-61.3-6000109.2F52 E53 Q78 H79 R80 R99F52-D334 HydrophobicContact CB-CB 3.82Å; E53-D334 PolarHBondContact N-O 3.34Å; Q78-D334 CarbonylContact O-C 3.53Å; Q78-D334 WeakPolarHBondContact O-CA 3.46Å; H79-D334 VanDerWaalsContact CA-OD1 3.26Å; H79-D334 WeakPolarHBondContact CA-OD1 3.43Å; H79-D334 HydrophobicContact CB-CB 4.43Å; R80-D334 WeakPolarHBondContact CG-OD1 3.43Å; R80-D334 PolarHBondContact N-OD1 3.38Å; R80-D334 IonicContact NE-OD1 2.74Å; R99-D334 IonicContact CZ-OD2 3.58Å; R99-D334 IonicContact NE-OD2 2.65Å; R99-D334 PolarHBondContact NE-OD2 2.89Å; R99-D334 IonicContact NH2-OD2 3.85Å; R99-D334 PolarHBondContact NH2-OD2 2.68Å
335G98.8Very high98.3Very high0 Ų011.5 Ų11.50%05%0.054CC..EExtended strand (participates in β ladder)trans-165.6158.1179.400000115.1E53 Q78E53-G335 CarbonylContact O-C 3.58Å; E53-G335 WeakPolarHBondContact O-CA 3.16Å; Q78-G335 PolarHBondContact N-O 3.2Å; Q78-G335 PolarHBondContact O-N 3.19Å
336L98.9Very high98.3Very high0 Ų011.4 Ų11.40%06%0.055CC..EExtended strand (participates in β ladder)trans-120.7119.1174.3174.659.6000109.1F52 E53 L54 K55 L76 V77 I103 V106 A107 V338F52-L336 HydrophobicContact CD2-CB 4.25Å; F52-L336 HydrophobicContact CE2-CB 3.94Å; F52-L336 HydrophobicContact CE2-CD2 4.48Å; E53-L336 PolarHBondContact O-N 3.29Å; L54-L336 WeakPolarHBondContact CA-O 3.38Å; L54-L336 HydrophobicContact CD1-CB 4.03Å; L54-L336 HydrophobicContact CD1-CD2 3.78Å; L54-L336 HydrophobicContact CD1-CG 3.86Å; K55-L336 PolarHBondContact N-O 2.99Å; K55-L336 VanDerWaalsContact N-O 3.07Å; L76-L336 WeakPolarHBondContact O-CA 3.24Å; V77-L336 HydrophobicContact CG2-CD1 4.11Å; I103-L336 HydrophobicContact CG2-CB 3.85Å; I103-L336 HydrophobicContact CG2-CD1 4.33Å; I103-L336 HydrophobicContact CG2-CD2 4.15Å; I103-L336 HydrophobicContact CG2-CG 4.33Å; V106-L336 HydrophobicContact CB-CD2 4.39Å; V106-L336 HydrophobicContact CG1-CD2 4.17Å; A107-L336 HydrophobicContact CB-CD1 4.14Å; A107-L336 HydrophobicContact CB-CD2 3.69Å; L336-V338 HydrophobicContact CD1-CG2 4.41Å; L336-V338 HydrophobicContact CD2-CG2 4.18Å; L336-V338 HydrophobicContact CG-CG2 3.98Å
337L98.9Very high98.3Very high0 Ų014.4 Ų14.40%07%0.066CC..EExtended strand (participates in β ladder)trans-101.6114.5171.4-179.463.7000109.1K55 Y57 G75 L76 V318 L329 V339K55-L337 HydrophobicContact CB-CD1 3.96Å; Y57-L337 HydrophobicContact CD2-CD1 3.61Å; Y57-L337 HydrophobicContact CE2-CD1 3.7Å; G75-L337 WeakPolarHBondContact CA-O 3.45Å; L76-L337 HydrophobicContact CB-CB 4.25Å; L76-L337 HydrophobicContact CD2-CD2 4.35Å; L76-L337 PolarHBondContact N-O 2.82Å; L76-L337 PolarHBondContact O-N 3.06Å; V318-L337 HydrophobicContact CG2-CD2 4.22Å; L329-L337 HydrophobicContact CD1-CB 3.84Å; L329-L337 HydrophobicContact CD2-CB 3.89Å; L329-L337 HydrophobicContact CD2-CD1 4.21Å; L329-L337 HydrophobicContact CG-CB 3.88Å; L337-V339 HydrophobicContact CD1-CG2 4.16Å; L337-V339 HydrophobicContact CD2-CG2 4.14Å; L337-V339 HydrophobicContact CG-CG2 3.73Å
338V98.9Very high98.3Very high0 Ų015.4 Ų15.40%07%0.069CC..EExtended strand (participates in β ladder)trans-99.5124.6174.9-177.50000109.1L37 L39 L54 K55 G56 Y57 V74 C110 V112 L336L37-V338 HydrophobicContact CD2-CG1 3.91Å; L39-V338 HydrophobicContact CD2-CB 4.19Å; L39-V338 HydrophobicContact CD2-CG1 4.26Å; L54-V338 HydrophobicContact CD1-CG2 4.01Å; K55-V338 PolarHBondContact O-N 2.82Å; G56-V338 CarbonylContact C-O 3.57Å; G56-V338 VanDerWaalsContact CA-O 3.23Å; G56-V338 WeakPolarHBondContact CA-O 3.4Å; Y57-V338 PolarHBondContact N-O 2.89Å; V74-V338 WeakPolarHBondContact O-CA 3.36Å; C110-V338 HydrophobicContact CB-CG1 4.17Å; C110-V338 HydrophobicContact CB-CG2 3.89Å; V112-V338 HydrophobicContact CG2-CG1 3.95Å; V112-V338 HydrophobicContact CG2-CG2 4.06Å; L336-V338 HydrophobicContact CD1-CG2 4.41Å; L336-V338 HydrophobicContact CD2-CG2 4.18Å; L336-V338 HydrophobicContact CG-CG2 3.98Å
339V98.9Very high98.4Very high0 Ų015.7 Ų15.70%07%0.071CC..EExtended strand (participates in β ladder)trans-132.7123.3179.2-165.30000110.9Y57 F59 R73 V74 V318 T326 L337 L341Y57-V339 VanDerWaalsContact O-CA 3.32Å; Y57-V339 WeakPolarHBondContact O-CA 3.5Å; F59-V339 HydrophobicContact CD2-CG1 3.56Å; F59-V339 HydrophobicContact CE2-CG1 3.59Å; R73-V339 WeakPolarHBondContact CA-O 3.35Å; V74-V339 HydrophobicContact CG2-CB 3.98Å; V74-V339 PolarHBondContact N-O 3.41Å; V74-V339 PolarHBondContact O-N 3.08Å; V318-V339 HydrophobicContact CB-CG2 4.14Å; V318-V339 HydrophobicContact CG2-CB 4.23Å; V318-V339 HydrophobicContact CG2-CG2 3.62Å; T326-V339 HydrophobicContact CG2-CG1 4.26Å; T326-V339 HydrophobicContact CG2-CG2 4.15Å; L337-V339 HydrophobicContact CD1-CG2 4.16Å; L337-V339 HydrophobicContact CD2-CG2 4.14Å; L337-V339 HydrophobicContact CG-CG2 3.73Å; V339-L341 HydrophobicContact CB-CD2 4.14Å; V339-L341 HydrophobicContact CG1-CD2 3.45Å; V339-L341 VanDerWaalsContact CG1-CD2 3.45Å; V339-L341 HydrophobicContact CG1-CG 4.45Å
340E98.9Very high98.3Very high22 Ų2216.8 Ų16.810%0.1038%0.078CC..EExtended strand (participates in β ladder)trans-85.8123.1170.4-171.9171.7111.800109.9L37 Y57 K58 F59 R71 V72 R73L37-E340 HydrophobicContact CD1-CB 4.35Å; L37-E340 HydrophobicContact CD2-CB 4.38Å; Y57-E340 PolarHBondContact O-N 3.33Å; K58-E340 CarbonylContact C-O 3.55Å; K58-E340 VanDerWaalsContact CA-O 3.23Å; K58-E340 WeakPolarHBondContact CA-O 3.49Å; K58-E340 HydrophobicContact CB-CB 4.17Å; F59-E340 PolarHBondContact N-O 2.93Å; R71-E340 IonicContact CZ-OE1 2.7Å; R71-E340 IonicContact NH1-OE1 3.75Å; R71-E340 PolarHBondContact NH1-OE1 3.27Å; V72-E340 CarbonylContact O-C 3.55Å; V72-E340 WeakPolarHBondContact O-CA 3.46Å; R73-E340 HydrophobicContact CG-CB 3.98Å; R73-E340 HydrophobicContact CG-CG 4.11Å; R73-E340 IonicContact CZ-OE2 3.4Å; R73-E340 VanDerWaalsContact CZ-OE2 3.31Å; R73-E340 IonicContact NE-OE2 3.75Å; R73-E340 PolarHBondContact NE-OE2 3.46Å; R73-E340 IonicContact NH2-OE2 2.69Å; R73-E340 PolarHBondContact NH2-OE2 3.34Å
341L98.8Very high98.4Very high0 Ų022.1 Ų22.10%011%0.107CC..EExtended strand (participates in β ladder)trans-118.7132.4-177-45.6176.4000109.1F59 R71 V72 V74 I251 F281 V318 V339 L343F59-L341 HydrophobicContact CB-CD2 4.26Å; F59-L341 HydrophobicContact CD2-CD2 3.51Å; F59-L341 HydrophobicContact CE2-CD2 4.16Å; F59-L341 HydrophobicContact CG-CD2 4.18Å; R71-L341 CarbonylContact C-O 3.53Å; R71-L341 VanDerWaalsContact CA-O 3.28Å; R71-L341 WeakPolarHBondContact CA-O 3.35Å; V72-L341 HydrophobicContact CG1-CB 3.95Å; V72-L341 HydrophobicContact CG1-CD1 4.44Å; V72-L341 PolarHBondContact N-O 2.99Å; V72-L341 PolarHBondContact O-N 3.37Å; V74-L341 HydrophobicContact CG1-CD1 3.92Å; V74-L341 HydrophobicContact CG2-CD1 3.97Å; V74-L341 HydrophobicContact CG2-CG 4.38Å; I251-L341 HydrophobicContact CD1-CD1 4.15Å; F281-L341 HydrophobicContact CB-CD1 4.07Å; F281-L341 HydrophobicContact CD1-CD1 4.11Å; F281-L341 HydrophobicContact CD1-CD2 3.8Å; F281-L341 HydrophobicContact CD1-CG 4.39Å; F281-L341 HydrophobicContact CD2-CB 4.39Å; F281-L341 HydrophobicContact CD2-CD1 4.18Å; F281-L341 HydrophobicContact CE1-CB 4.33Å; F281-L341 HydrophobicContact CE1-CD2 3.78Å; F281-L341 HydrophobicContact CE1-CG 4.47Å; F281-L341 HydrophobicContact CE2-CB 4.09Å; F281-L341 HydrophobicContact CG-CD1 3.86Å; F281-L341 HydrophobicContact CG-CD2 4.39Å; F281-L341 HydrophobicContact CZ-CB 4.05Å; F281-L341 HydrophobicContact CZ-CD2 4.34Å; V318-L341 HydrophobicContact CG1-CD2 4.14Å; V339-L341 HydrophobicContact CB-CD2 4.14Å; V339-L341 HydrophobicContact CG1-CD2 3.45Å; V339-L341 VanDerWaalsContact CG1-CD2 3.45Å; V339-L341 HydrophobicContact CG1-CG 4.45Å; L341-L343 HydrophobicContact CB-CD2 4.49Å
342D98.8Very high98.5Very high7 Ų729.4 Ų29.44%0.03714%0.139CC..EExtended strand (participates in β ladder)trans-91.2109.6160.9-168-19.7000110.3F59 A61 P69 R70 N344 L345F59-D342 PolarHBondContact O-N 3Å; A61-D342 HydrophobicContact CB-CB 3.78Å; P69-D342 WeakPolarHBondContact CB-OD2 3.46Å; R70-D342 PolarHBondContact N-OD1 3.32Å; D342-N344 PolarHBondContact O-N 3.42Å; D342-N344 VanDerWaalsContact O-N 3.11Å; D342-N344 WeakPolarHBondContact OD1-CB 3.2Å; D342-N344 PolarHBondContact OD1-N 3.39Å; D342-N344 PolarHBondContact OD1-ND2 3.04Å; D342-L345 VanDerWaalsContact O-CB 3.29Å; D342-L345 WeakPolarHBondContact O-CB 3.45Å; D342-L345 PolarHBondContact O-N 3.47Å
343L98.9Very high98.6Very high4 Ų434.5 Ų34.52%0.02115%0.154CC..THydrogen-bonded Turntrans-65.3-14.2-177.3-60.8-175.4000113.7R70 V72 F224 E250 I251 F281 L341 L345 N346R70-L343 HydrophobicContact CB-CB 4.04Å; R70-L343 PolarHBondContact O-N 3.4Å; V72-L343 HydrophobicContact CG1-CD1 4.05Å; V72-L343 HydrophobicContact CG1-CD2 3.75Å; V72-L343 HydrophobicContact CG1-CG 3.77Å; F224-L343 WeakPolarHBondContact O-CD1 3.32Å; E250-L343 HydrophobicContact CB-CD2 4.48Å; I251-L343 HydrophobicContact CD1-CD2 3.94Å; I251-L343 HydrophobicContact CG1-CD2 3.8Å; F281-L343 HydrophobicContact CD2-CD2 4.01Å; F281-L343 HydrophobicContact CE2-CD2 4.17Å; L341-L343 HydrophobicContact CB-CD2 4.49Å; L343-L345 PolarHBondContact O-N 3.19Å; L343-N346 PolarHBondContact O-N 2.88Å
344N98.8Very high98.6Very high3 Ų331.1 Ų31.12%0.01615%0.146CC..Hα-helixtrans-64.2-23.6171.7-70.5-30.2000112.4A61 P68 D342 N346 R347 Q348A61-N344 HydrophobicContact CB-CB 4.18Å; P68-N344 PolarHBondContact O-ND2 3.4Å; D342-N344 PolarHBondContact O-N 3.42Å; D342-N344 VanDerWaalsContact O-N 3.11Å; D342-N344 WeakPolarHBondContact OD1-CB 3.2Å; D342-N344 PolarHBondContact OD1-N 3.39Å; D342-N344 PolarHBondContact OD1-ND2 3.04Å; N344-N346 PolarHBondContact O-N 3Å; N344-R347 VanDerWaalsContact CG-NH2 3.35Å; N344-R347 PolarHBondContact O-N 3.01Å; N344-R347 PolarHBondContact OD1-NH2 3.01Å; N344-Q348 WeakPolarHBondContact O-CG 3.32Å; N344-Q348 PolarHBondContact O-N 3.02Å; N344-Q348 VanDerWaalsContact O-N 3.11Å
345L98.8Very high98.6Very high12 Ų1234.1 Ų34.16%0.06316%0.158CC..Hα-helixtrans-57.9-36178.4-17263.8000112A61 F281 P321 D342 L343 R347 Q348 V349A61-L345 HydrophobicContact CB-CB 4.02Å; F281-L345 HydrophobicContact CE1-CD2 4.3Å; F281-L345 HydrophobicContact CE2-CB 4.42Å; F281-L345 HydrophobicContact CZ-CB 4.15Å; F281-L345 HydrophobicContact CZ-CD2 3.84Å; P321-L345 HydrophobicContact CG-CB 4.31Å; P321-L345 HydrophobicContact CG-CD2 3.89Å; P321-L345 HydrophobicContact CG-CG 3.76Å; D342-L345 VanDerWaalsContact O-CB 3.29Å; D342-L345 WeakPolarHBondContact O-CB 3.45Å; D342-L345 PolarHBondContact O-N 3.47Å; L343-L345 PolarHBondContact O-N 3.19Å; L345-R347 PolarHBondContact O-N 2.71Å; L345-Q348 PolarHBondContact O-N 3.47Å; L345-V349 HydrophobicContact CD1-CG2 4.01Å; L345-V349 HydrophobicContact CG-CG2 4.1Å; L345-V349 WeakPolarHBondContact O-CB 3.49Å; L345-V349 VanDerWaalsContact O-CG2 3.29Å; L345-V349 WeakPolarHBondContact O-CG2 3.35Å; L345-V349 PolarHBondContact O-N 3.14Å
346N98.8Very high98.5Very high13 Ų1337.1 Ų37.17%0.0717%0.172CC..Hα-helixtrans-54.5-50.7177.3-68.7-12.8000111.5E250 Q279 F280 F281 P321 L343 N344 S350E250-N346 WeakPolarHBondContact CA-ND2 3.45Å; E250-N346 PolarHBondContact O-ND2 2.93Å; Q279-N346 WeakPolarHBondContact O-CB 3.38Å; F280-N346 WeakPolarHBondContact CA-OD1 3.25Å; F281-N346 WeakPolarHBondContact CD2-OD1 3.22Å; F281-N346 WeakPolarHBondContact CE2-OD1 3.42Å; P321-N346 WeakPolarHBondContact CG-OD1 3.37Å; L343-N346 PolarHBondContact O-N 2.88Å; N344-N346 PolarHBondContact O-N 3Å; N346-S350 WeakPolarHBondContact O-CB 3.26Å; N346-S350 PolarHBondContact O-N 2.91Å
347R98.6Very high98.5Very high63 Ų6344.2 Ų44.224%0.23821%0.207CC..Hα-helixtrans-66.4-45.9177.4175.3-17953-106.7-16.3111.5E64 R67 N344 L345 V349 S350 D351E64-R347 IonicContact OE1-CZ 3.46Å; E64-R347 IonicContact OE1-NE 3.39Å; E64-R347 PolarHBondContact OE1-NE 2.75Å; E64-R347 IonicContact OE1-NH2 3.8Å; E64-R347 PolarHBondContact OE1-NH2 3.08Å; E64-R347 IonicContact OE2-CZ 3.42Å; E64-R347 IonicContact OE2-NE 3.56Å; E64-R347 IonicContact OE2-NH2 2.93Å; E64-R347 PolarHBondContact OE2-NH2 3.09Å; R67-R347 VanDerWaalsContact CD-CZ 3.45Å; N344-R347 VanDerWaalsContact CG-NH2 3.35Å; N344-R347 PolarHBondContact O-N 3.01Å; N344-R347 PolarHBondContact OD1-NH2 3.01Å; L345-R347 PolarHBondContact O-N 2.71Å; R347-V349 VanDerWaalsContact C-N 3.3Å; R347-V349 PolarHBondContact O-N 2.76Å; R347-S350 CarbonylContact O-C 3.6Å; R347-S350 WeakPolarHBondContact O-CA 3.32Å; R347-S350 VanDerWaalsContact O-CB 3.3Å; R347-S350 WeakPolarHBondContact O-CB 3.31Å; R347-S350 PolarHBondContact O-N 3.12Å; R347-D351 PolarHBondContact O-N 3.33Å
348Q98.8Very high98.5Very high41 Ų4148.4 Ų48.419%0.19223%0.232CC..Hα-helixtrans-59.5-41.8-177.4-69175.61000112.3A62 E64 N344 L345 K352A62-Q348 PolarHBondContact O-NE2 2.81Å; E64-Q348 PolarHBondContact OE1-NE2 3.35Å; E64-Q348 VanDerWaalsContact OE1-NE2 3.07Å; N344-Q348 WeakPolarHBondContact O-CG 3.32Å; N344-Q348 PolarHBondContact O-N 3.02Å; N344-Q348 VanDerWaalsContact O-N 3.11Å; L345-Q348 PolarHBondContact O-N 3.47Å; Q348-K352 WeakPolarHBondContact O-CB 3.41Å; Q348-K352 PolarHBondContact O-N 3.49Å; Q348-K352 VanDerWaalsContact O-N 3.1Å
349V98.6Very high98.4Very high8 Ų849 Ų495%0.04824%0.238CC..Hα-helixtrans-68.5-38.8173.5175.30000110.5Q279 P321 D322 L345 R347 D351 K352 W353Q279-V349 HydrophobicContact CG-CG1 4.08Å; Q279-V349 PolarHBondContact NE2-O 3.08Å; P321-V349 HydrophobicContact CB-CB 4.21Å; P321-V349 HydrophobicContact CB-CG1 4.2Å; P321-V349 HydrophobicContact CB-CG2 4.24Å; P321-V349 HydrophobicContact CG-CB 4.49Å; P321-V349 HydrophobicContact CG-CG2 4.09Å; P321-V349 WeakPolarHBondContact O-CG1 3.49Å; D322-V349 HydrophobicContact CB-CG2 3.79Å; L345-V349 HydrophobicContact CD1-CG2 4.01Å; L345-V349 HydrophobicContact CG-CG2 4.1Å; L345-V349 WeakPolarHBondContact O-CB 3.49Å; L345-V349 VanDerWaalsContact O-CG2 3.29Å; L345-V349 WeakPolarHBondContact O-CG2 3.35Å; L345-V349 PolarHBondContact O-N 3.14Å; R347-V349 VanDerWaalsContact C-N 3.3Å; R347-V349 PolarHBondContact O-N 2.76Å; V349-D351 PolarHBondContact O-N 3.13Å; V349-K352 PolarHBondContact O-N 3.41Å; V349-W353 PolarHBondContact O-N 3.07Å
350S98.1Very high98.4Very high24 Ų2456.7 Ų56.717%0.16827%0.267CS..Hα-helixtrans-57.1-48.7175.9-154.80000113Q279 N346 R347 S354Q279-S350 VanDerWaalsContact CD-CA 3.44Å; Q279-S350 PolarHBondContact OE1-OG 3.12Å; N346-S350 WeakPolarHBondContact O-CB 3.26Å; N346-S350 PolarHBondContact O-N 2.91Å; R347-S350 CarbonylContact O-C 3.6Å; R347-S350 WeakPolarHBondContact O-CA 3.32Å; R347-S350 VanDerWaalsContact O-CB 3.3Å; R347-S350 WeakPolarHBondContact O-CB 3.31Å; R347-S350 PolarHBondContact O-N 3.12Å; S350-S354 WeakPolarHBondContact O-CA 3.47Å; S350-S354 PolarHBondContact O-N 2.87Å
351D98.4Very high98.3Very high112 Ų11259 Ų5960%0.59928%0.275SS*.Hα-helixtrans-66.6-43.6178.9-61.9-22.3000111.1R347 V349 S354R347-D351 PolarHBondContact O-N 3.33Å; V349-D351 PolarHBondContact O-N 3.13Å; D351-S354 PolarHBondContact O-OG 2.91Å
352K98.3Very high98.3Very high165 Ų16563 Ų6372%0.71731%0.309SS*.Hα-helixtrans-64.7-45.4-177.6-178.6176.5178.61790113.3Q348 V349Q348-K352 WeakPolarHBondContact O-CB 3.41Å; Q348-K352 PolarHBondContact O-N 3.49Å; Q348-K352 VanDerWaalsContact O-N 3.1Å; V349-K352 PolarHBondContact O-N 3.41Å
353W98.3Very high98.3Very high145 Ų14566.3 Ų66.355%0.54932%0.324SS..Hα-helixtrans-99-20.7-173.9-70.9103000113.5V349 F355V349-W353 PolarHBondContact O-N 3.07Å; W353-F355 HydrophobicContact CB-CD1 4.04Å; W353-F355 HydrophobicContact CB-CD2 4.3Å; W353-F355 HydrophobicContact CB-CE1 3.78Å; W353-F355 HydrophobicContact CB-CE2 4.04Å; W353-F355 HydrophobicContact CB-CG 4.29Å; W353-F355 HydrophobicContact CB-CZ 3.78Å; W353-F355 HydrophobicContact CD2-CE1 4.46Å; W353-F355 HydrophobicContact CD2-CZ 4.09Å; W353-F355 HydrophobicContact CE3-CE1 4.12Å; W353-F355 HydrophobicContact CE3-CZ 4.03Å; W353-F355 HydrophobicContact CG-CE1 4.38Å; W353-F355 HydrophobicContact CG-CE2 4.39Å; W353-F355 HydrophobicContact CG-CZ 4.02Å; W353-F355 WeakPolarHBondContact O-CD1 3.23Å; W353-F355 PolarHBondContact O-N 2.81Å
354S97.2Very high98.3Very high30 Ų3073 Ų7321%0.2135%0.35CS..  trans58.620.6173.2-71.60000115.5S350 D351 K356 M357 T358S350-S354 WeakPolarHBondContact O-CA 3.47Å; S350-S354 PolarHBondContact O-N 2.87Å; D351-S354 PolarHBondContact O-OG 2.91Å; S354-K356 VanDerWaalsContact C-N 3.29Å; S354-K356 PolarHBondContact O-N 3.19Å; S354-M357 WeakPolarHBondContact O-CA 3.5Å; S354-M357 WeakPolarHBondContact O-CB 3.42Å; S354-M357 PolarHBondContact O-N 3.41Å; S354-T358 PolarHBondContact O-N 2.9Å; S354-T358 PolarHBondContact O-OG1 2.82Å
355F98.3Very high98.3Very high67 Ų6775.9 Ų75.929%0.29437%0.374SS..THydrogen-bonded Turntrans-54.9-43.3-179.3-60.3-26.1000112.9I276 Q279 W353 M357 T358 G359I276-F355 HydrophobicContact CG2-CE2 4.27Å; I276-F355 WeakPolarHBondContact O-CD2 3.18Å; I276-F355 WeakPolarHBondContact O-CE2 3.28Å; Q279-F355 HydrophobicContact CG-CD2 4.15Å; W353-F355 HydrophobicContact CB-CD1 4.04Å; W353-F355 HydrophobicContact CB-CD2 4.3Å; W353-F355 HydrophobicContact CB-CE1 3.78Å; W353-F355 HydrophobicContact CB-CE2 4.04Å; W353-F355 HydrophobicContact CB-CG 4.29Å; W353-F355 HydrophobicContact CB-CZ 3.78Å; W353-F355 HydrophobicContact CD2-CE1 4.46Å; W353-F355 HydrophobicContact CD2-CZ 4.09Å; W353-F355 HydrophobicContact CE3-CE1 4.12Å; W353-F355 HydrophobicContact CE3-CZ 4.03Å; W353-F355 HydrophobicContact CG-CE1 4.38Å; W353-F355 HydrophobicContact CG-CE2 4.39Å; W353-F355 HydrophobicContact CG-CZ 4.02Å; W353-F355 WeakPolarHBondContact O-CD1 3.23Å; W353-F355 PolarHBondContact O-N 2.81Å; F355-M357 VanDerWaalsContact C-N 3.35Å; F355-M357 PolarHBondContact O-N 3.02Å; F355-T358 CarbonylContact O-C 3.51Å; F355-T358 PolarHBondContact O-N 2.86Å; F355-T358 PolarHBondContact O-OG1 3.22Å; F355-G359 PolarHBondContact O-N 3.35Å; F355-G359 VanDerWaalsContact O-N 3.08Å
356K96.9Very high98.2Very high64 Ų6480.8 Ų80.828%0.27840%0.396SS..THydrogen-bonded Turntrans-64.6-37.6175.7-72.3176179.6-79.50112.9S245 N278 S354 G359 Y361S245-K356 PolarHBondContact O-NZ 3.39Å; S245-K356 PolarHBondContact OG-NZ 2.72Å; N278-K356 VanDerWaalsContact O-CE 3.26Å; N278-K356 WeakPolarHBondContact O-CE 3.11Å; S354-K356 VanDerWaalsContact C-N 3.29Å; S354-K356 PolarHBondContact O-N 3.19Å; K356-G359 PolarHBondContact O-N 3.23Å; K356-Y361 WeakPolarHBondContact CA-OH 3.49Å; K356-Y361 WeakPolarHBondContact O-CE2 3.38Å
357M98.1Very high98.2Very high149 Ų14984.5 Ų84.573%0.73441%0.412SS*.THydrogen-bonded Turntrans-66.6-37.6177.6-175.7-179.277.500111.5S354 F355S354-M357 WeakPolarHBondContact O-CA 3.5Å; S354-M357 WeakPolarHBondContact O-CB 3.42Å; S354-M357 PolarHBondContact O-N 3.41Å; F355-M357 VanDerWaalsContact C-N 3.35Å; F355-M357 PolarHBondContact O-N 3.02Å
358T98.4Very high98.2Very high88 Ų8885.4 Ų85.454%0.5442%0.421SS..THydrogen-bonded Turntrans-92.810.2179.959.70000113.7S354 F355 R360S354-T358 PolarHBondContact O-N 2.9Å; S354-T358 PolarHBondContact O-OG1 2.82Å; F355-T358 CarbonylContact O-C 3.51Å; F355-T358 PolarHBondContact O-N 2.86Å; F355-T358 PolarHBondContact O-OG1 3.22Å; T358-R360 VanDerWaalsContact C-N 3.25Å; T358-R360 PolarHBondContact O-N 3.42Å
359G97.8Very high98.1Very high11 Ų1185 Ų8511%0.11343%0.427CS..  trans-68.6-15.9-169.200000115.7F355 K356 Y361 Y364F355-G359 PolarHBondContact O-N 3.35Å; F355-G359 VanDerWaalsContact O-N 3.08Å; K356-G359 PolarHBondContact O-N 3.23Å; G359-Y361 VanDerWaalsContact O-CD1 3.32Å; G359-Y361 WeakPolarHBondContact O-CD1 3.32Å; G359-Y361 PolarHBondContact O-N 3.42Å; G359-Y364 VanDerWaalsContact O-CD2 3.3Å; G359-Y364 WeakPolarHBondContact O-CD2 3.5Å; G359-Y364 VanDerWaalsContact O-CE2 3.32Å; G359-Y364 WeakPolarHBondContact O-CE2 3.2Å
360R98.4Very high98.1Very high162 Ų16287.4 Ų87.461%0.61144%0.438SS*.  trans46.636.8-179.9-63.2176.971.9170.14.4113.4T358 A362 E363 Y364T358-R360 VanDerWaalsContact C-N 3.25Å; T358-R360 PolarHBondContact O-N 3.42Å; R360-A362 PolarHBondContact O-N 3.48Å; R360-A362 VanDerWaalsContact O-N 3.12Å; R360-E363 IonicContact CZ-OE1 3.91Å; R360-E363 IonicContact CZ-OE2 3.84Å; R360-E363 IonicContact NE-OE2 2.81Å; R360-E363 PolarHBondContact NE-OE2 3.18Å; R360-E363 VanDerWaalsContact NH2-CD 3.27Å; R360-E363 IonicContact NH2-OE1 3.2Å; R360-E363 PolarHBondContact NH2-OE1 3.07Å; R360-E363 IonicContact NH2-OE2 2.58Å; R360-E363 PolarHBondContact NH2-OE2 2.9Å; R360-E363 WeakPolarHBondContact O-CB 3.25Å; R360-E363 PolarHBondContact O-N 3.18Å; R360-Y364 HydrophobicContact CB-CD2 4.42Å; R360-Y364 HydrophobicContact CB-CE2 4.3Å; R360-Y364 WeakPolarHBondContact O-CD2 3.48Å; R360-Y364 PolarHBondContact O-N 2.9Å
361Y98.3Very high98.1Very high71 Ų7188.2 Ų88.228%0.27845%0.447SS..Hα-helixtrans-60.2-31-168.2-55-51.2000114.3F242 M246 K356 G359 E363 Y364 A365F242-Y361 HydrophobicContact CD2-CE1 4.25Å; F242-Y361 HydrophobicContact CE1-CD1 4.48Å; F242-Y361 AromaticContact CE2-CD1 3.67Å; F242-Y361 HydrophobicContact CE2-CD1 3.67Å; F242-Y361 AromaticContact CE2-CE1 3.15Å; F242-Y361 HydrophobicContact CE2-CE1 3.15Å; F242-Y361 HydrophobicContact CE2-CE2 4.36Å; F242-Y361 HydrophobicContact CE2-CG 4.44Å; F242-Y361 AromaticContact CE2-CZ 3.53Å; F242-Y361 AromaticContact CZ-CD1 3.38Å; F242-Y361 HydrophobicContact CZ-CD1 3.38Å; F242-Y361 AromaticContact CZ-CE1 3.43Å; F242-Y361 HydrophobicContact CZ-CE1 3.43Å; F242-Y361 VanDerWaalsContact CZ-CE1 3.43Å; F242-Y361 AromaticContact CZ-CG 3.96Å; F242-Y361 HydrophobicContact CZ-CG 3.96Å; M246-Y361 HydrophobicContact CE-CD2 4.03Å; M246-Y361 HydrophobicContact CE-CE2 4.24Å; M246-Y361 HydrophobicContact SD-CD2 4.07Å; M246-Y361 HydrophobicContact SD-CE2 3.75Å; K356-Y361 WeakPolarHBondContact CA-OH 3.49Å; K356-Y361 WeakPolarHBondContact O-CE2 3.38Å; G359-Y361 VanDerWaalsContact O-CD1 3.32Å; G359-Y361 WeakPolarHBondContact O-CD1 3.32Å; G359-Y361 PolarHBondContact O-N 3.42Å; Y361-E363 VanDerWaalsContact C-N 3.33Å; Y361-E363 PolarHBondContact O-N 3.44Å; Y361-Y364 PolarHBondContact O-N 3.07Å; Y361-A365 WeakPolarHBondContact O-CB 3.48Å; Y361-A365 PolarHBondContact O-N 3.48Å
362A98.4Very high98.1Very high85 Ų8588.5 Ų88.570%0.70245%0.452SS*.Hα-helixtrans-61-41.1175.500000112.3R360 A365 E366R360-A362 PolarHBondContact O-N 3.48Å; R360-A362 VanDerWaalsContact O-N 3.12Å; A362-A365 PolarHBondContact O-N 2.93Å; A362-E366 PolarHBondContact O-N 3.36Å; A362-E366 VanDerWaalsContact O-N 3.08Å
363E98.4Very high98Very high76 Ų7687.6 Ų87.636%0.35544%0.444SS..Hα-helixtrans-70-42.7176.7176.7178.3173.400111.5R360 Y361 A365 E366 K367R360-E363 IonicContact CZ-OE1 3.91Å; R360-E363 IonicContact CZ-OE2 3.84Å; R360-E363 IonicContact NE-OE2 2.81Å; R360-E363 PolarHBondContact NE-OE2 3.18Å; R360-E363 VanDerWaalsContact NH2-CD 3.27Å; R360-E363 IonicContact NH2-OE1 3.2Å; R360-E363 PolarHBondContact NH2-OE1 3.07Å; R360-E363 IonicContact NH2-OE2 2.58Å; R360-E363 PolarHBondContact NH2-OE2 2.9Å; R360-E363 WeakPolarHBondContact O-CB 3.25Å; R360-E363 PolarHBondContact O-N 3.18Å; Y361-E363 VanDerWaalsContact C-N 3.33Å; Y361-E363 PolarHBondContact O-N 3.44Å; E363-A365 VanDerWaalsContact C-N 3.28Å; E363-A365 PolarHBondContact O-N 3.1Å; E363-E366 PolarHBondContact O-N 3Å; E363-K367 HydrophobicContact CG-CG 4.26Å; E363-K367 WeakPolarHBondContact O-CB 3.1Å; E363-K367 WeakPolarHBondContact O-CG 3.41Å; E363-K367 PolarHBondContact O-N 3.12Å
364Y98.4Very high98Very high144 Ų14487.6 Ų87.657%0.56546%0.463SS*.Hα-helixtrans-63-36.4175.4-74.1-70.2000112.1G359 R360 Y361 K367 L368G359-Y364 VanDerWaalsContact O-CD2 3.3Å; G359-Y364 WeakPolarHBondContact O-CD2 3.5Å; G359-Y364 VanDerWaalsContact O-CE2 3.32Å; G359-Y364 WeakPolarHBondContact O-CE2 3.2Å; R360-Y364 HydrophobicContact CB-CD2 4.42Å; R360-Y364 HydrophobicContact CB-CE2 4.3Å; R360-Y364 WeakPolarHBondContact O-CD2 3.48Å; R360-Y364 PolarHBondContact O-N 2.9Å; Y361-Y364 PolarHBondContact O-N 3.07Å; Y364-K367 PolarHBondContact O-N 3.08Å; Y364-L368 VanDerWaalsContact O-CB 3.29Å; Y364-L368 WeakPolarHBondContact O-CB 3.23Å; Y364-L368 VanDerWaalsContact O-CG 3.27Å; Y364-L368 WeakPolarHBondContact O-CG 3.28Å; Y364-L368 PolarHBondContact O-N 3.37Å
365A98.4Very high98Very high63 Ų6392 Ų9252%0.52148%0.484SS..Hα-helixtrans-63.2-45.5174.700000111.7Y361 A362 E363 G369Y361-A365 WeakPolarHBondContact O-CB 3.48Å; Y361-A365 PolarHBondContact O-N 3.48Å; A362-A365 PolarHBondContact O-N 2.93Å; E363-A365 VanDerWaalsContact C-N 3.28Å; E363-A365 PolarHBondContact O-N 3.1Å; A365-G369 PolarHBondContact O-N 2.87Å
366E98.3Very high98Very high116 Ų11693.1 Ų93.154%0.54249%0.489SS..Hα-helixtrans-60.3-48.9174.2-176.2-175.5-178.800111.2A362 E363 L368 G369 E370A362-E366 PolarHBondContact O-N 3.36Å; A362-E366 VanDerWaalsContact O-N 3.08Å; E363-E366 PolarHBondContact O-N 3Å; E366-L368 PolarHBondContact O-N 2.86Å; E366-G369 CarbonylContact O-C 3.57Å; E366-G369 WeakPolarHBondContact O-CA 3.43Å; E366-G369 PolarHBondContact O-N 2.96Å; E366-G369 VanDerWaalsContact O-N 3.12Å; E366-E370 WeakPolarHBondContact O-CG 3.28Å; E366-E370 PolarHBondContact O-N 2.87Å
367K98.1Very high98Very high91 Ų9198.8 Ų98.840%0.39651%0.513SS..Hα-helixtrans-66.9-37.7-177.4-66.2-69.7155.2-1290113E363 Y364 E370 A371E363-K367 HydrophobicContact CG-CG 4.26Å; E363-K367 WeakPolarHBondContact O-CB 3.1Å; E363-K367 WeakPolarHBondContact O-CG 3.41Å; E363-K367 PolarHBondContact O-N 3.12Å; Y364-K367 PolarHBondContact O-N 3.08Å; K367-E370 IonicContact NZ-OE1 3.24Å; K367-E370 PolarHBondContact NZ-OE1 3.26Å; K367-E370 IonicContact NZ-OE2 3.41Å; K367-E370 PolarHBondContact NZ-OE2 3.03Å; K367-E370 PolarHBondContact O-N 2.74Å; K367-A371 VanDerWaalsContact O-CB 3.26Å; K367-A371 WeakPolarHBondContact O-CB 3.48Å; K367-A371 PolarHBondContact O-N 2.77Å
368L98Very high97.9Very high81 Ų8195.5 Ų95.542%0.42450%0.503SS..Hα-helixtrans-65-42.4170.8-75.3170.3000110.7L239 Y364 E366 E370 A371 V372L239-L368 HydrophobicContact CD1-CD1 4.3Å; L239-L368 HydrophobicContact CD2-CD1 4.48Å; Y364-L368 VanDerWaalsContact O-CB 3.29Å; Y364-L368 WeakPolarHBondContact O-CB 3.23Å; Y364-L368 VanDerWaalsContact O-CG 3.27Å; Y364-L368 WeakPolarHBondContact O-CG 3.28Å; Y364-L368 PolarHBondContact O-N 3.37Å; E366-L368 PolarHBondContact O-N 2.86Å; L368-E370 VanDerWaalsContact C-N 3.28Å; L368-E370 PolarHBondContact O-N 3.42Å; L368-A371 PolarHBondContact O-N 3Å; L368-A371 VanDerWaalsContact O-N 3.14Å; L368-V372 WeakPolarHBondContact O-CG1 3.33Å; L368-V372 WeakPolarHBondContact O-CG2 3.16Å; L368-V372 PolarHBondContact O-N 3.12Å; L368-V372 VanDerWaalsContact O-N 3.09Å
369G98.1Very high97.7Very high32 Ų32101 Ų10133%0.3352%0.52SS..Hα-helixtrans-62.4-30.9175.800000114.1A365 E366 R373A365-G369 PolarHBondContact O-N 2.87Å; E366-G369 CarbonylContact O-C 3.57Å; E366-G369 WeakPolarHBondContact O-CA 3.43Å; E366-G369 PolarHBondContact O-N 2.96Å; E366-G369 VanDerWaalsContact O-N 3.12Å; G369-R373 WeakPolarHBondContact O-CG 3.04Å; G369-R373 PolarHBondContact O-NE 3.49Å
370E97.9Very high97.7Very high59 Ų59106.3 Ų106.328%0.27654%0.544SS..Hα-helixtrans-72.4-46.7168.8-71.3170.2-165.900111.6E366 K367 L368 V372 R373 F376E366-E370 WeakPolarHBondContact O-CG 3.28Å; E366-E370 PolarHBondContact O-N 2.87Å; K367-E370 IonicContact NZ-OE1 3.24Å; K367-E370 PolarHBondContact NZ-OE1 3.26Å; K367-E370 IonicContact NZ-OE2 3.41Å; K367-E370 PolarHBondContact NZ-OE2 3.03Å; K367-E370 PolarHBondContact O-N 2.74Å; L368-E370 VanDerWaalsContact C-N 3.28Å; L368-E370 PolarHBondContact O-N 3.42Å; E370-V372 VanDerWaalsContact C-N 3.32Å; E370-V372 PolarHBondContact O-N 2.72Å; E370-R373 PolarHBondContact O-N 3.04Å; E370-F376 WeakPolarHBondContact O-CD2 3.2Å
371A98Very high97.6Very high42 Ų42106.3 Ų106.335%0.34756%0.555SS.*Hα-helixtrans-66.4-28.2-172.300000114.4K367 L368 R373 F376K367-A371 VanDerWaalsContact O-CB 3.26Å; K367-A371 WeakPolarHBondContact O-CB 3.48Å; K367-A371 PolarHBondContact O-N 2.77Å; L368-A371 PolarHBondContact O-N 3Å; L368-A371 VanDerWaalsContact O-N 3.14Å; A371-R373 VanDerWaalsContact C-N 3.32Å; A371-F376 HydrophobicContact CB-CD2 4.49Å; A371-F376 HydrophobicContact CB-CE1 4.4Å; A371-F376 HydrophobicContact CB-CE2 4.25Å; A371-F376 HydrophobicContact CB-CZ 4.2Å
372V97.6Very high97.5Very high117 Ų117111.5 Ų111.571%0.70958%0.579SS**THydrogen-bonded Turntrans-85.2-1.8-179.9-60.60000113.8L368 E370L368-V372 WeakPolarHBondContact O-CG1 3.33Å; L368-V372 WeakPolarHBondContact O-CG2 3.16Å; L368-V372 PolarHBondContact O-N 3.12Å; L368-V372 VanDerWaalsContact O-N 3.09Å; E370-V372 VanDerWaalsContact C-N 3.32Å; E370-V372 PolarHBondContact O-N 2.72Å
373R97.9Very high96.9Very high147 Ų147120.2 Ų120.256%0.55561%0.605SS**SBendtrans-74.7144179.8-60.9-178.6-175.1179.6-0.4111G369 E370 A371 D375 F376G369-R373 WeakPolarHBondContact O-CG 3.04Å; G369-R373 PolarHBondContact O-NE 3.49Å; E370-R373 PolarHBondContact O-N 3.04Å; A371-R373 VanDerWaalsContact C-N 3.32Å; R373-D375 VanDerWaalsContact CB-OD1 3.3Å; R373-D375 WeakPolarHBondContact CB-OD1 3.39Å; R373-D375 PolarHBondContact O-N 3.16Å; R373-D375 VanDerWaalsContact O-N 3.14Å; R373-F376 VanDerWaalsContact O-CB 3.28Å; R373-F376 WeakPolarHBondContact O-CB 3.44Å; R373-F376 PolarHBondContact O-N 3.15Å; R373-F376 VanDerWaalsContact O-N 3.08Å
374P97.4Very high96.8Very high144 Ų144122.4 Ų122.494%0.93562%0.617SS**THydrogen-bonded Turntrans-59-26.5179.2-25.334.6000114.7
375D96.9Very high96.8Very high122 Ų122121.3 Ų121.365%0.65262%0.62SS**THydrogen-bonded Turntrans-98.211.1-178.768.2-32.3000113.5R373 K377R373-D375 VanDerWaalsContact CB-OD1 3.3Å; R373-D375 WeakPolarHBondContact CB-OD1 3.39Å; R373-D375 PolarHBondContact O-N 3.16Å; R373-D375 VanDerWaalsContact O-N 3.14Å; D375-K377 PolarHBondContact O-N 2.59Å
376F97.9Very high96.7Very high91 Ų91124.5 Ų124.540%0.39963%0.626SS.*  trans-56.3126.7-179.1175.3-113.1000111.7E370 A371 R373 P378E370-F376 WeakPolarHBondContact O-CD2 3.2Å; A371-F376 HydrophobicContact CB-CD2 4.49Å; A371-F376 HydrophobicContact CB-CE1 4.4Å; A371-F376 HydrophobicContact CB-CE2 4.25Å; A371-F376 HydrophobicContact CB-CZ 4.2Å; R373-F376 VanDerWaalsContact O-CB 3.28Å; R373-F376 WeakPolarHBondContact O-CB 3.44Å; R373-F376 PolarHBondContact O-N 3.15Å; R373-F376 VanDerWaalsContact O-N 3.08Å; F376-P378 HydrophobicContact CD1-CG 4.36Å; F376-P378 HydrophobicContact CE1-CB 4.29Å; F376-P378 HydrophobicContact CE1-CG 3.95Å
377K96.8Very high96.6Very high183 Ų183125 Ų12580%0.79663%0.63SS**  trans-107.7116.5172.2-67.1-178.5-176.6176.50108.6D375 K379D375-K377 PolarHBondContact O-N 2.59Å; K377-K379 PolarHBondContact O-N 3.28Å
378P96.4Very high96.5Very high81 Ų81127.1 Ų127.153%0.52665%0.645SS.*  trans-56.1138176.4-26.635000111.6F376 I380F376-P378 HydrophobicContact CD1-CG 4.36Å; F376-P378 HydrophobicContact CE1-CB 4.29Å; F376-P378 HydrophobicContact CE1-CG 3.95Å; P378-I380 VanDerWaalsContact C-N 3.29Å; P378-I380 HydrophobicContact CB-CD1 3.84Å; P378-I380 HydrophobicContact CB-CG1 3.96Å; P378-I380 PolarHBondContact O-N 2.82Å
379K94.4Very high96.4Very high203 Ų203130.2 Ų130.288%0.88366%0.66SS**  trans-75.181.1177-170.8178.8179.9179.70110.2K377K377-K379 PolarHBondContact O-N 3.28Å
380I97.8Very high96.3Very high123 Ų123137.2 Ų137.263%0.63168%0.683SS**  trans-112.8124.4-179.8-61.4171.2000109P378 K382P378-I380 VanDerWaalsContact C-N 3.29Å; P378-I380 HydrophobicContact CB-CD1 3.84Å; P378-I380 HydrophobicContact CB-CG1 3.96Å; P378-I380 PolarHBondContact O-N 2.82Å; I380-K382 HydrophobicContact CG2-CG 4.33Å
381I96.8Very high96.1Very high161 Ų161143.2 Ų143.283%0.82672%0.715SS**  trans-95.5130.3173.2-56.4175.2000107.5
382K95.5Very high96Very high181 Ų181151.7 Ų151.779%0.78775%0.745SS**  trans-112154.1178-63.1-175.5179.7-177.20110I380I380-K382 HydrophobicContact CG2-CG 4.33Å
383E86.4Confident95.8Very high267 Ų267154.8 Ų154.8100%1.24875%0.749SS**  trans-660173-173.6175.8-178.900112.4

Retrieved 383 of 383 residues in 282.6 ms (Link to these results)

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