G4VL76_SCHMA Loading...

Putative actin

Actins are highly conserved proteins that are involved in various types of cell motility and are ubiquitously expressed in all eukaryotic cells.

AlphaFold DB , UniProt , Accession G4VL76, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 372 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
1M38.3Very low77.3Confident223 Ų22373 Ų73100%1.09940%0.398SS*.  0114.20-81.4165.874.800106.4L3M1-L3 PolarHBondContact O-N 3.12Å
2A47.3Very low79Confident95 Ų9568 Ų6879%0.78537%0.371SS*.  trans-58.3125.7161.700000106.1I4A2-I4 PolarHBondContact O-N 3.37Å; A2-I4 VanDerWaalsContact O-N 3.14Å
3L55.7Low80.4Confident131 Ų13164.2 Ų64.269%0.68635%0.35SS*.  trans-56.7122.2176.6-72.5158.2000106.4M1 E5M1-L3 PolarHBondContact O-N 3.12Å; L3-E5 HydrophobicContact CB-CB 4.29Å; L3-E5 HydrophobicContact CB-CG 4.35Å; L3-E5 PolarHBondContact O-N 3Å; L3-E5 VanDerWaalsContact O-N 3.17Å
4I67.9Low81.5Confident66 Ų6660.5 Ų60.534%0.33833%0.334SS..  trans-66.9-9177.9-68.9171.2000110.5A2 L7 Y22 H97A2-I4 PolarHBondContact O-N 3.37Å; A2-I4 VanDerWaalsContact O-N 3.14Å; I4-L7 HydrophobicContact CG2-CD1 4.3Å; I4-L7 WeakPolarHBondContact O-CB 3.23Å; I4-L7 PolarHBondContact O-N 2.74Å; I4-Y22 HydrophobicContact CG2-CD1 3.8Å; I4-Y22 HydrophobicContact CG2-CE1 3.42Å; I4-Y22 VanDerWaalsContact CG2-CE1 3.42Å; I4-Y22 HydrophobicContact CG2-CE2 4.3Å; I4-Y22 HydrophobicContact CG2-CG 4.38Å; I4-H97 PolarHBondContact O-CE1 3.01Å
5E71Confident82.3Confident107 Ų10757.9 Ų57.950%0.532%0.324SS..THydrogen-bonded Turntrans-49.6138.6173.1-63.3177.617200111.2L3 L7L3-E5 HydrophobicContact CB-CB 4.29Å; L3-E5 HydrophobicContact CB-CG 4.35Å; L3-E5 PolarHBondContact O-N 3Å; L3-E5 VanDerWaalsContact O-N 3.17Å; E5-L7 PolarHBondContact O-N 3.35Å
6D84.1Confident83.1Confident98 Ų9855.5 Ų55.552%0.52432%0.316SS..THydrogen-bonded Turntrans69.3-4.7-177-52.8-36000117.5P8 N96D6-P8 WeakPolarHBondContact O-CD 3.41Å; D6-N96 VanDerWaalsContact CA-O 3.32Å; D6-N96 WeakPolarHBondContact CA-O 3.31Å; D6-N96 PolarHBondContact N-O 3.36Å
7L93.9Very high83.8Confident72 Ų7255.5 Ų55.538%0.37731%0.312SS..PPolyproline II helixtrans-66.8130.1173.5-73.5178.9000110.4I4 E5 Y22 H97I4-L7 HydrophobicContact CG2-CD1 4.3Å; I4-L7 WeakPolarHBondContact O-CB 3.23Å; I4-L7 PolarHBondContact O-N 2.74Å; E5-L7 PolarHBondContact O-N 3.35Å; L7-Y22 HydrophobicContact CB-CD1 4.24Å; L7-H97 WeakPolarHBondContact O-CB 3.41Å; L7-H97 PolarHBondContact O-ND1 3.08Å
8P97.3Very high84.6Confident11 Ų1152.4 Ų52.47%0.07130%0.295CS..PPolyproline II helixtrans-61.8141.4175.1-21.431000112.3D6 A23 P98 A346 F351D6-P8 WeakPolarHBondContact O-CD 3.41Å; P8-A23 HydrophobicContact CB-CB 4.12Å; P8-A23 HydrophobicContact CG-CB 4.28Å; P8-A23 PolarHBondContact O-N 2.77Å; P8-P98 CarbonylContact C-O 3.53Å; P8-P98 VanDerWaalsContact CA-O 3.24Å; P8-P98 WeakPolarHBondContact CA-O 3.23Å; P8-P98 HydrophobicContact CB-CG 4.03Å; P8-P98 HydrophobicContact CG-CG 3.92Å; P8-A346 HydrophobicContact CB-CB 3.96Å; P8-A346 HydrophobicContact CG-CB 4.35Å; P8-F351 HydrophobicContact CB-CD1 4.05Å; P8-F351 HydrophobicContact CB-CE1 3.63Å; P8-F351 HydrophobicContact CB-CZ 4.5Å; P8-F351 HydrophobicContact CG-CD1 3.48Å; P8-F351 VanDerWaalsContact CG-CD1 3.48Å; P8-F351 HydrophobicContact CG-CE1 3.59Å
9I97.9Very high85.3Confident0 Ų050.7 Ų50.70%028%0.284CS..EExtended strand (participates in β ladder)trans-95.4131.2170.7-66.2173.1000108.2V11 G21 Y22 F86 L90 T92 H97 P98 V99 L100I9-V11 HydrophobicContact CG2-CG2 3.9Å; I9-G21 WeakPolarHBondContact CA-O 3.48Å; I9-Y22 HydrophobicContact CD1-CE1 4.22Å; I9-Y22 HydrophobicContact CG1-CD1 3.98Å; I9-Y22 HydrophobicContact CG1-CE1 3.98Å; I9-F86 HydrophobicContact CD1-CD1 4.36Å; I9-F86 HydrophobicContact CD1-CE1 3.7Å; I9-L90 HydrophobicContact CD1-CD1 3.95Å; I9-L90 HydrophobicContact CG2-CD1 4.13Å; I9-T92 HydrophobicContact CD1-CG2 3.93Å; I9-H97 HydrophobicContact CD1-CB 3.61Å; I9-H97 HydrophobicContact CG1-CB 3.8Å; I9-P98 PolarHBondContact N-O 3.13Å; I9-V99 CarbonylContact O-C 3.51Å; I9-V99 VanDerWaalsContact O-CA 3.3Å; I9-V99 WeakPolarHBondContact O-CA 3.33Å; I9-V99 WeakPolarHBondContact O-CG2 3.1Å; I9-L100 PolarHBondContact O-N 2.89Å
10V98.6Very high86Confident0 Ų048.2 Ų48.20%027%0.27CS..EExtended strand (participates in β ladder)trans-100.3123176.5176.50000108.4A20 G21 L100 W339 A346V10-A20 VanDerWaalsContact O-CA 3.27Å; V10-A20 WeakPolarHBondContact O-CA 3.22Å; V10-G21 PolarHBondContact N-O 3.46Å; V10-G21 PolarHBondContact O-N 3.12Å; V10-L100 HydrophobicContact CG1-CD2 4.01Å; V10-L100 HydrophobicContact CG2-CB 4.38Å; V10-W339 HydrophobicContact CB-CZ2 4.1Å; V10-W339 HydrophobicContact CG1-CD2 4.44Å; V10-W339 HydrophobicContact CG1-CG 4.24Å; V10-W339 PolarHBondContact O-NE1 2.87Å; V10-A346 HydrophobicContact CG2-CB 3.92Å
11V98.4Very high86.6Confident0 Ų045.9 Ų45.90%026%0.257CS..EExtended strand (participates in β ladder)trans-121.1120.7179-174.40000110.4I9 N13 L18 K19 A20 W82 M85 V99 L100 I101 S102I9-V11 HydrophobicContact CG2-CG2 3.9Å; V11-N13 WeakPolarHBondContact CG1-OD1 3.43Å; V11-L18 HydrophobicContact CG1-CD1 4.04Å; V11-L18 HydrophobicContact CG1-CD2 4.5Å; V11-L18 HydrophobicContact CG1-CG 4.18Å; V11-K19 WeakPolarHBondContact CA-O 3.15Å; V11-A20 HydrophobicContact CG2-CB 4.44Å; V11-W82 HydrophobicContact CB-CH2 4.46Å; V11-W82 HydrophobicContact CB-CZ2 3.99Å; V11-W82 HydrophobicContact CG1-CZ2 3.62Å; V11-W82 HydrophobicContact CG2-CH2 4.26Å; V11-W82 HydrophobicContact CG2-CZ2 4.12Å; V11-M85 HydrophobicContact CG2-CE 4.27Å; V11-M85 HydrophobicContact CG2-SD 4.28Å; V11-V99 HydrophobicContact CB-CG2 4.35Å; V11-V99 HydrophobicContact CG2-CG2 3.76Å; V11-L100 PolarHBondContact N-O 3.33Å; V11-I101 WeakPolarHBondContact O-CA 3.34Å; V11-S102 PolarHBondContact O-N 3.16Å; V11-S102 VanDerWaalsContact O-N 3.13Å
12D97.8Very high89.4Confident13 Ų1335.8 Ų35.87%0.0721%0.207CC..EExtended strand (participates in β ladder)trans-109.6105.3169.5168.227.6000109.9G14 L18 K19 S102D12-G14 VanDerWaalsContact C-N 3.3Å; D12-G14 PolarHBondContact O-N 3.19Å; D12-L18 WeakPolarHBondContact O-CA 3.41Å; D12-K19 HydrophobicContact CB-CB 4.25Å; D12-K19 PolarHBondContact N-O 3.32Å; D12-K19 PolarHBondContact O-N 3.46Å; D12-K19 WeakPolarHBondContact OD2-CD 3.26Å; D12-K19 WeakPolarHBondContact OD2-CE 3.28Å; D12-K19 IonicContact OD2-NZ 2.88Å; D12-K19 PolarHBondContact OD2-NZ 3.21Å; D12-S102 VanDerWaalsContact CA-OG 3.29Å; D12-S102 WeakPolarHBondContact CA-OG 3.22Å; D12-S102 VanDerWaalsContact CB-OG 3.26Å; D12-S102 WeakPolarHBondContact CB-OG 3.38Å; D12-S102 PolarHBondContact OD1-OG 2.88Å
13N96.9Very high91.7Very high19 Ų1931.7 Ų31.710%0.10217%0.173CC..EExtended strand (participates in β ladder)trans-83.164.9-176.5-77.6-39.4000111.7V11 L18 I67 W82V11-N13 WeakPolarHBondContact CG1-OD1 3.43Å; N13-L18 WeakPolarHBondContact OD1-CD1 3.43Å; N13-I67 HydrophobicContact CB-CD1 3.65Å; N13-I67 VanDerWaalsContact O-CD1 3.24Å; N13-I67 WeakPolarHBondContact O-CD1 3.3Å; N13-W82 PolarHBondContact OD1-NE1 3.44Å
14G95.4Very high93.6Very high12 Ų1228 Ų2812%0.12417%0.167CC..  trans-75.3142.1178.400000113.4D12 G16 H17 M34D12-G14 VanDerWaalsContact C-N 3.3Å; D12-G14 PolarHBondContact O-N 3.19Å; G14-G16 PolarHBondContact O-N 3.08Å; G14-G16 VanDerWaalsContact O-N 3.15Å; G14-H17 WeakPolarHBondContact CA-O 3.1Å; G14-H17 PolarHBondContact N-O 3.29Å; G14-H17 CarbonylContact O-C 3.34Å; G14-H17 PolarHBondContact O-N 3.03Å; G14-M34 VanDerWaalsContact O-CB 3.3Å; G14-M34 WeakPolarHBondContact O-CB 3.3Å
15A94.2Very high94.9Very high22 Ų2226.7 Ų26.718%0.18216%0.16CC..SBendtrans-62.1-21.5177.500000114.3I67 E154A15-I67 HydrophobicContact CB-CG2 4.36Å; A15-E154 HydrophobicContact CB-CG 4.07Å
16G94.2Very high96Very high19 Ų1925.1 Ų25.120%0.19617%0.173CC..SBendtrans-86.2-47.5170.500000112.8G14 M34 T153G14-G16 PolarHBondContact O-N 3.08Å; G14-G16 VanDerWaalsContact O-N 3.15Å; G16-M34 PolarHBondContact O-N 3.45Å; G16-T153 WeakPolarHBondContact CA-OG1 3.28Å; G16-T153 PolarHBondContact N-OG1 2.96Å
17H96.5Very high96.5Very high55 Ų5521.7 Ų21.726%0.25516%0.161SC..EExtended strand (participates in β ladder)trans-150.1138.1-177-61.480.8000110.8G14 K19 L31 I32G14-H17 WeakPolarHBondContact CA-O 3.1Å; G14-H17 PolarHBondContact N-O 3.29Å; G14-H17 CarbonylContact O-C 3.34Å; G14-H17 PolarHBondContact O-N 3.03Å; H17-K19 PolarHBondContact O-NZ 2.87Å; H17-L31 HydrophobicContact CB-CD1 3.41Å; H17-L31 VanDerWaalsContact CB-CD1 3.41Å; H17-L31 HydrophobicContact CB-CG 3.96Å; H17-I32 CarbonylContact C-O 3.57Å; H17-I32 WeakPolarHBondContact CA-O 3.39Å; H17-I32 WeakPolarHBondContact CB-O 3.47Å
18L97.8Very high96.7Very high0 Ų019.5 Ų19.50%015%0.151CC..EExtended strand (participates in β ladder)trans-70.7134.4158.7-173.9146.1000109V11 D12 N13 A20 L31 I32 M34 V81 M85V11-L18 HydrophobicContact CG1-CD1 4.04Å; V11-L18 HydrophobicContact CG1-CD2 4.5Å; V11-L18 HydrophobicContact CG1-CG 4.18Å; D12-L18 WeakPolarHBondContact O-CA 3.41Å; N13-L18 WeakPolarHBondContact OD1-CD1 3.43Å; L18-A20 HydrophobicContact CD2-CB 3.75Å; L18-L31 WeakPolarHBondContact O-CA 3.29Å; L18-I32 HydrophobicContact CB-CB 4.37Å; L18-I32 HydrophobicContact CD2-CD1 4.32Å; L18-I32 PolarHBondContact N-O 2.95Å; L18-I32 PolarHBondContact O-N 2.9Å; L18-M34 HydrophobicContact CB-CE 3.65Å; L18-M34 HydrophobicContact CD1-CE 4.19Å; L18-M34 HydrophobicContact CG-CE 4.39Å; L18-V81 HydrophobicContact CB-CG1 4.4Å; L18-V81 HydrophobicContact CD1-CG1 3.98Å; L18-M85 HydrophobicContact CD1-SD 4.29Å; L18-M85 HydrophobicContact CD2-CG 4.19Å; L18-M85 HydrophobicContact CD2-SD 3.53Å; L18-M85 VanDerWaalsContact CD2-SD 3.53Å
19K98.1Very high96.6Very high21 Ų2125.3 Ų25.39%0.09117%0.171CC..EExtended strand (participates in β ladder)trans-118.2131.3170.9-59.9161.3-149.376.20108.8V11 D12 H17 P28 I30 L31 K335 Y336 W339V11-K19 WeakPolarHBondContact CA-O 3.15Å; D12-K19 HydrophobicContact CB-CB 4.25Å; D12-K19 PolarHBondContact N-O 3.32Å; D12-K19 PolarHBondContact O-N 3.46Å; D12-K19 WeakPolarHBondContact OD2-CD 3.26Å; D12-K19 WeakPolarHBondContact OD2-CE 3.28Å; D12-K19 IonicContact OD2-NZ 2.88Å; D12-K19 PolarHBondContact OD2-NZ 3.21Å; H17-K19 PolarHBondContact O-NZ 2.87Å; K19-P28 HydrophobicContact CB-CB 3.99Å; K19-P28 HydrophobicContact CB-CG 4.33Å; K19-I30 WeakPolarHBondContact CA-O 3.48Å; K19-L31 HydrophobicContact CD-CD1 4.47Å; K19-L31 HydrophobicContact CG-CD1 3.58Å; K19-K335 WeakPolarHBondContact CE-O 3.43Å; K19-Y336 HydrophobicContact CD-CD1 4.02Å; K19-W339 HydrophobicContact CB-CB 4.36Å; K19-W339 HydrophobicContact CB-CG 4.15Å; K19-W339 HydrophobicContact CD-CB 4.38Å
20A98.4Very high96.6Very high0 Ų025.8 Ų25.80%017%0.174CC..EExtended strand (participates in β ladder)trans-145156178.100000113.5V10 V11 L18 P28 R29 I30 M85V10-A20 VanDerWaalsContact O-CA 3.27Å; V10-A20 WeakPolarHBondContact O-CA 3.22Å; V11-A20 HydrophobicContact CG2-CB 4.44Å; L18-A20 HydrophobicContact CD2-CB 3.75Å; A20-P28 CarbonylContact O-C 3.57Å; A20-R29 PolarHBondContact O-N 3.17Å; A20-I30 PolarHBondContact N-O 3.49Å; A20-I30 VanDerWaalsContact N-O 3.12Å; A20-I30 PolarHBondContact O-N 3.37Å; A20-M85 HydrophobicContact CB-CG 4Å; A20-M85 HydrophobicContact CB-SD 3.25Å; A20-M85 WeakPolarHBondContact CB-SD 3.3Å
21G98Very high96.4Very high0 Ų029.1 Ų29.10%019%0.191CC..EExtended strand (participates in β ladder)trans174.6-173.3177.600000110.6I9 V10 W339I9-G21 WeakPolarHBondContact CA-O 3.48Å; V10-G21 PolarHBondContact N-O 3.46Å; V10-G21 PolarHBondContact O-N 3.12Å; G21-W339 VanDerWaalsContact CA-CZ2 3.48Å
22Y97.5Very high96.4Very high10 Ų1029.3 Ų29.34%0.03919%0.192CC..EExtended strand (participates in β ladder)trans-94148.7-179.5-59-85.3000110.6I4 L7 I9 G24 D25 R29 L90 T92 H97I4-Y22 HydrophobicContact CG2-CD1 3.8Å; I4-Y22 HydrophobicContact CG2-CE1 3.42Å; I4-Y22 VanDerWaalsContact CG2-CE1 3.42Å; I4-Y22 HydrophobicContact CG2-CE2 4.3Å; I4-Y22 HydrophobicContact CG2-CG 4.38Å; L7-Y22 HydrophobicContact CB-CD1 4.24Å; I9-Y22 HydrophobicContact CD1-CE1 4.22Å; I9-Y22 HydrophobicContact CG1-CD1 3.98Å; I9-Y22 HydrophobicContact CG1-CE1 3.98Å; Y22-G24 PolarHBondContact O-N 2.85Å; Y22-D25 PolarHBondContact N-OD2 2.85Å; Y22-D25 PolarHBondContact O-N 3.01Å; Y22-R29 VanDerWaalsContact CD2-CZ 3.4Å; Y22-L90 HydrophobicContact CE2-CD2 3.96Å; Y22-T92 WeakPolarHBondContact OH-CB 3.41Å; Y22-T92 WeakPolarHBondContact OH-CG2 3.41Å; Y22-H97 AromaticContact CE1-CE1 3.88Å
23A96.7Very high96.3Very high9 Ų930 Ų307%0.07420%0.197CC..THydrogen-bonded Turntrans-54.4137.9169.900000111.1P8 A346P8-A23 HydrophobicContact CB-CB 4.12Å; P8-A23 HydrophobicContact CG-CB 4.28Å; P8-A23 PolarHBondContact O-N 2.77Å; A23-A346 HydrophobicContact CB-CB 3.61Å
24G95.2Very high96.2Very high54 Ų5429.4 Ų29.456%0.55719%0.194SC*.THydrogen-bonded Turntrans89-12.9-176.600000114.9Y22 S343Y22-G24 PolarHBondContact O-N 2.85Å; G24-S343 PolarHBondContact N-O 3.25Å; G24-S343 PolarHBondContact N-OG 3.29Å
25D95.9Very high96.2Very high38 Ų3830 Ų3020%0.20320%0.195CC..  trans-70.4145.9171-62.2-36.7000110.4Y22 G27 R29 W339 S343Y22-D25 PolarHBondContact N-OD2 2.85Å; Y22-D25 PolarHBondContact O-N 3.01Å; D25-G27 PolarHBondContact O-N 3.07Å; D25-R29 IonicContact OD1-CZ 3.24Å; D25-R29 IonicContact OD1-NE 2.8Å; D25-R29 IonicContact OD1-NH2 2.76Å; D25-R29 PolarHBondContact OD1-NH2 3.25Å; D25-R29 WeakPolarHBondContact OD2-CG 3.37Å; D25-R29 IonicContact OD2-CZ 3.22Å; D25-R29 IonicContact OD2-NE 3.84Å; D25-R29 PolarHBondContact OD2-NE 3.13Å; D25-R29 IonicContact OD2-NH2 3.15Å; D25-R29 PolarHBondContact OD2-NH2 3.26Å; D25-W339 HydrophobicContact CB-CH2 3.94Å; D25-S343 PolarHBondContact N-OG 2.89Å; D25-S343 PolarHBondContact O-OG 3.34Å
26G93.3Very high96.3Very high74 Ų7429 Ų2976%0.76319%0.186SC*.SBendtrans-72.3-11.2179.700000115.1
27G95.1Very high96.3Very high27 Ų2728.1 Ų28.128%0.27818%0.177SC..SBendtrans-167.3164.2178.100000111.2D25 R29 W339D25-G27 PolarHBondContact O-N 3.07Å; G27-R29 PolarHBondContact O-N 3.45Å; G27-W339 VanDerWaalsContact C-CE3 3.48Å; G27-W339 VanDerWaalsContact CA-CZ3 3.46Å; G27-W339 WeakPolarHBondContact O-CH2 3.44Å; G27-W339 WeakPolarHBondContact O-CZ3 3.31Å
28P97.1Very high96Very high25 Ų2529.1 Ų29.116%0.16218%0.178CC..  trans-63.1135.8-178.426-32.8000110.1K19 A20 I30 Y336 W339K19-P28 HydrophobicContact CB-CB 3.99Å; K19-P28 HydrophobicContact CB-CG 4.33Å; A20-P28 CarbonylContact O-C 3.57Å; P28-I30 PolarHBondContact O-N 2.81Å; P28-Y336 HydrophobicContact CG-CD1 3.79Å; P28-Y336 HydrophobicContact CG-CE1 4.09Å; P28-Y336 HydrophobicContact CG-CG 4.06Å; P28-W339 HydrophobicContact CB-CD2 3.65Å; P28-W339 HydrophobicContact CB-CE3 4.1Å; P28-W339 HydrophobicContact CB-CG 3.92Å; P28-W339 HydrophobicContact CB-CZ2 4.45Å; P28-W339 VanDerWaalsContact CD-CE3 3.48Å; P28-W339 HydrophobicContact CG-CD2 4.21Å; P28-W339 HydrophobicContact CG-CE3 4.35Å; P28-W339 HydrophobicContact CG-CG 4.35Å
29R96.5Very high95.4Very high134 Ų13430.5 Ų30.551%0.50619%0.187SC..SBendtrans-71.6-25.2173.6-64.5-166-177.1-174.36.4112A20 Y22 D25 G27A20-R29 PolarHBondContact O-N 3.17Å; Y22-R29 VanDerWaalsContact CD2-CZ 3.4Å; D25-R29 IonicContact OD1-CZ 3.24Å; D25-R29 IonicContact OD1-NE 2.8Å; D25-R29 IonicContact OD1-NH2 2.76Å; D25-R29 PolarHBondContact OD1-NH2 3.25Å; D25-R29 WeakPolarHBondContact OD2-CG 3.37Å; D25-R29 IonicContact OD2-CZ 3.22Å; D25-R29 IonicContact OD2-NE 3.84Å; D25-R29 PolarHBondContact OD2-NE 3.13Å; D25-R29 IonicContact OD2-NH2 3.15Å; D25-R29 PolarHBondContact OD2-NH2 3.26Å; G27-R29 PolarHBondContact O-N 3.45Å
30I96.4Very high94.6Very high9 Ų932.1 Ų32.15%0.04620%0.199CC..EExtended strand (participates in β ladder)trans-131.9137.7-170.3-62.5164.3000110K19 A20 P28 I32 M85 E89 L90K19-I30 WeakPolarHBondContact CA-O 3.48Å; A20-I30 PolarHBondContact N-O 3.49Å; A20-I30 VanDerWaalsContact N-O 3.12Å; A20-I30 PolarHBondContact O-N 3.37Å; P28-I30 PolarHBondContact O-N 2.81Å; I30-I32 HydrophobicContact CG2-CD1 3.51Å; I30-I32 HydrophobicContact CG2-CG1 3.52Å; I30-M85 HydrophobicContact CD1-CG 4.14Å; I30-E89 HydrophobicContact CD1-CB 3.39Å; I30-E89 HydrophobicContact CG1-CB 3.76Å; I30-E89 HydrophobicContact CG2-CB 3.99Å; I30-E89 HydrophobicContact CG2-CG 4.15Å; I30-L90 HydrophobicContact CD1-CB 3.99Å; I30-L90 HydrophobicContact CD1-CD1 4.35Å; I30-L90 HydrophobicContact CD1-CD2 3.26Å; I30-L90 HydrophobicContact CD1-CG 3.2Å; I30-L90 HydrophobicContact CG1-CD2 4.21Å
31L96.1Very high93.7Very high70 Ų7042.8 Ų42.837%0.36625%0.245SC..EExtended strand (participates in β ladder)trans-131.4107169.3-17272.3000108.3H17 L18 K19 Y336H17-L31 HydrophobicContact CB-CD1 3.41Å; H17-L31 VanDerWaalsContact CB-CD1 3.41Å; H17-L31 HydrophobicContact CB-CG 3.96Å; L18-L31 WeakPolarHBondContact O-CA 3.29Å; K19-L31 HydrophobicContact CD-CD1 4.47Å; K19-L31 HydrophobicContact CG-CD1 3.58Å; L31-Y336 HydrophobicContact CD1-CE1 4.28Å
32I96.6Very high92.7Very high5 Ų554.4 Ų54.43%0.02629%0.289CS..EExtended strand (participates in β ladder)trans-109.5123.9178.8-65.6154.6000108.2H17 L18 I30 M34 V50 V81 Y84 M85 E89H17-I32 CarbonylContact C-O 3.57Å; H17-I32 WeakPolarHBondContact CA-O 3.39Å; H17-I32 WeakPolarHBondContact CB-O 3.47Å; L18-I32 HydrophobicContact CB-CB 4.37Å; L18-I32 HydrophobicContact CD2-CD1 4.32Å; L18-I32 PolarHBondContact N-O 2.95Å; L18-I32 PolarHBondContact O-N 2.9Å; I30-I32 HydrophobicContact CG2-CD1 3.51Å; I30-I32 HydrophobicContact CG2-CG1 3.52Å; I32-M34 PolarHBondContact O-N 3.09Å; I32-V50 HydrophobicContact CG2-CG1 3.76Å; I32-V81 HydrophobicContact CG2-CG1 4.05Å; I32-Y84 HydrophobicContact CD1-CD1 3.81Å; I32-Y84 HydrophobicContact CD1-CE1 4.22Å; I32-Y84 HydrophobicContact CG1-CD1 4.21Å; I32-Y84 HydrophobicContact CG1-CE1 4.18Å; I32-M85 HydrophobicContact CD1-CB 3.73Å; I32-M85 HydrophobicContact CD1-CG 4.31Å; I32-E89 HydrophobicContact CD1-CG 4.11Å; I32-E89 HydrophobicContact CG1-CG 4.32Å
33P95.6Very high91.6Very high27 Ų2755.1 Ų55.118%0.17530%0.295CS..EExtended strand (participates in β ladder)trans-53.5129.9169.8-23.332.3000110.1L35 G51P33-L35 PolarHBondContact O-N 3.47Å; P33-G51 WeakPolarHBondContact O-CA 3.31Å
34M96.5Very high91Very high6 Ų661.5 Ų61.53%0.0332%0.322CS..SBendtrans-7770.3-176-172.358.675.900110.3G14 G16 L18 I32 C65 P66 I67 L78 V81G14-M34 VanDerWaalsContact O-CB 3.3Å; G14-M34 WeakPolarHBondContact O-CB 3.3Å; G16-M34 PolarHBondContact O-N 3.45Å; L18-M34 HydrophobicContact CB-CE 3.65Å; L18-M34 HydrophobicContact CD1-CE 4.19Å; L18-M34 HydrophobicContact CG-CE 4.39Å; I32-M34 PolarHBondContact O-N 3.09Å; M34-C65 PolarHBondContact O-SG 3.38Å; M34-P66 HydrophobicContact CG-CG 4.19Å; M34-P66 HydrophobicContact SD-CG 3.61Å; M34-I67 HydrophobicContact CE-CD1 3.76Å; M34-I67 HydrophobicContact CG-CD1 4.37Å; M34-I67 HydrophobicContact CG-CG1 4.45Å; M34-I67 HydrophobicContact SD-CD1 4.22Å; M34-I67 HydrophobicContact SD-CG1 4.48Å; M34-L78 HydrophobicContact CE-CD1 3.96Å; M34-L78 HydrophobicContact SD-CD1 4.03Å; M34-V81 HydrophobicContact SD-CG1 4.3Å; M34-V81 HydrophobicContact SD-CG2 4.18Å
35L94.9Very high90.3Very high26 Ų2662.4 Ų62.414%0.13631%0.309CS..  trans-143127.9-169.7-171.968.8000109.2P33 V50 G51 A54 N55 L63P33-L35 PolarHBondContact O-N 3.47Å; L35-V50 WeakPolarHBondContact O-CA 3.13Å; L35-G51 PolarHBondContact O-N 2.99Å; L35-A54 HydrophobicContact CD2-CB 4.34Å; L35-A54 HydrophobicContact CG-CB 4.39Å; L35-N55 HydrophobicContact CD2-CB 4.06Å; L35-L63 HydrophobicContact CD1-CB 4.01Å; L35-L63 HydrophobicContact CD1-CD1 4.46Å; L35-L63 HydrophobicContact CD2-CD1 4.19Å
36I95.5Very high89.4Confident1 Ų166.3 Ų66.31%0.00533%0.334CS..EExtended strand (participates in β ladder)trans-115.7141.917262.5-179.4000109.5W48 F49 L63 N64 G77 V81I36-W48 HydrophobicContact CD1-CZ3 4.27Å; I36-F49 CarbonylContact C-O 3.57Å; I36-F49 WeakPolarHBondContact CA-O 3.33Å; I36-L63 WeakPolarHBondContact O-CA 3.44Å; I36-N64 HydrophobicContact CD1-CB 4.38Å; I36-N64 HydrophobicContact CG1-CB 4.03Å; I36-N64 WeakPolarHBondContact CG1-O 3.15Å; I36-N64 PolarHBondContact N-O 2.72Å; I36-N64 PolarHBondContact O-N 2.68Å; I36-G77 VanDerWaalsContact CD1-CA 3.44Å; I36-V81 HydrophobicContact CG2-CG2 3.61Å
37G94.2Very high89Confident0 Ų067.9 Ų67.90%033%0.325CS..EExtended strand (participates in β ladder)trans-119.1117.5176.700000111.4W48 F49G37-W48 WeakPolarHBondContact O-CA 3.36Å; G37-F49 PolarHBondContact N-O 2.85Å; G37-F49 PolarHBondContact O-N 2.97Å
38R90.4Very high88.7Confident75 Ų7571.9 Ų71.928%0.28333%0.332SS..EExtended strand (participates in β ladder)trans-93.2131.1173.1-73.5169171117.716.7109.5W48 L61 I62 D74R38-W48 HydrophobicContact CB-CE3 4.4Å; R38-W48 HydrophobicContact CB-CZ3 4.48Å; R38-W48 HydrophobicContact CG-CD2 3.99Å; R38-W48 HydrophobicContact CG-CE3 3.31Å; R38-W48 HydrophobicContact CG-CH2 3.49Å; R38-W48 VanDerWaalsContact CG-CH2 3.49Å; R38-W48 HydrophobicContact CG-CZ2 3.96Å; R38-W48 HydrophobicContact CG-CZ3 3.07Å; R38-W48 VanDerWaalsContact CZ-CZ3 3.4Å; R38-L61 CarbonylContact O-C 3.53Å; R38-L61 WeakPolarHBondContact O-CA 3.42Å; R38-I62 HydrophobicContact CB-CB 4.38Å; R38-I62 PolarHBondContact N-O 3.27Å; R38-I62 PolarHBondContact O-N 2.92Å; R38-D74 IonicContact CZ-OD2 3.67Å; R38-D74 IonicContact NH1-OD2 3.12Å; R38-D74 PolarHBondContact NH1-OD2 2.82Å; R38-D74 IonicContact NH2-OD1 3.39Å; R38-D74 IonicContact NH2-OD2 3.57Å; R38-D74 PolarHBondContact NH2-OD2 3.12Å
39P86.6Confident88.5Confident30 Ų3072.6 Ų72.620%0.19533%0.332CS..EExtended strand (participates in β ladder)trans-58.9140169.3-22.533000111.6Y45 D47 L61P39-Y45 WeakPolarHBondContact CB-O 3.01Å; P39-Y45 WeakPolarHBondContact CG-O 3.32Å; P39-D47 VanDerWaalsContact CD-O 3.26Å; P39-D47 WeakPolarHBondContact CD-O 3.41Å; P39-D47 WeakPolarHBondContact CG-O 3.48Å; P39-L61 HydrophobicContact CB-CD2 4.38Å; P39-L61 HydrophobicContact CG-CD2 4.27Å
40T81Confident88.5Confident54 Ų5466.7 Ų66.733%0.33131%0.311SS..PPolyproline II helixtrans-75.1163.3167.763.80000110.3R42 S43 I62T40-R42 PolarHBondContact O-N 3.45Å; T40-R42 PolarHBondContact OG1-N 3.27Å; T40-S43 WeakPolarHBondContact O-CB 3.27Å; T40-S43 PolarHBondContact O-N 3.3Å; T40-S43 PolarHBondContact OG1-N 3.16Å; T40-I62 HydrophobicContact CG2-CD1 4.1Å; T40-I62 HydrophobicContact CG2-CG1 3.64Å
41K78.7Confident88.4Confident224 Ų22466.3 Ų66.397%0.97431%0.31SS*.THydrogen-bonded Turntrans-56.3-19.9171.9-67.5-173.9178.8-177.70114
42R76.7Confident88.1Confident245 Ų24567.8 Ų67.893%0.92532%0.315SS*.THydrogen-bonded Turntrans-97.6-4.2178.1-65.1-177.3178.7176-0.6112.8T40T40-R42 PolarHBondContact O-N 3.45Å; T40-R42 PolarHBondContact OG1-N 3.27Å
43S75.7Confident87.9Confident24 Ų2472.6 Ų72.617%0.16834%0.337CS..  trans-72.8145.4-179-169.20000110.3T40 Y45T40-S43 WeakPolarHBondContact O-CB 3.27Å; T40-S43 PolarHBondContact O-N 3.3Å; T40-S43 PolarHBondContact OG1-N 3.16Å; S43-Y45 PolarHBondContact O-N 3.08Å; S43-Y45 WeakPolarHBondContact OG-CD2 3.5Å; S43-Y45 PolarHBondContact OG-N 3.13Å
44K82.3Confident87.7Confident144 Ų14471.3 Ų71.363%0.62633%0.329SS*.SBendtrans-73.2-13.6169.769.3-164.4-177.6-139.40112.5E60K44-E60 VanDerWaalsContact CE-OE2 3.3Å; K44-E60 WeakPolarHBondContact CE-OE2 3.29Å; K44-E60 IonicContact NZ-OE1 2.72Å; K44-E60 PolarHBondContact NZ-OE1 3.16Å; K44-E60 IonicContact NZ-OE2 2.72Å; K44-E60 PolarHBondContact NZ-OE2 3.2Å
45Y80.9Confident87.2Confident72 Ų7272.4 Ų72.428%0.28234%0.335SS..  trans-91.3143.9-179-59-68.8000111.3P39 S43 F49 L57 E60P39-Y45 WeakPolarHBondContact CB-O 3.01Å; P39-Y45 WeakPolarHBondContact CG-O 3.32Å; S43-Y45 PolarHBondContact O-N 3.08Å; S43-Y45 WeakPolarHBondContact OG-CD2 3.5Å; S43-Y45 PolarHBondContact OG-N 3.13Å; Y45-F49 HydrophobicContact CD1-CE2 4.17Å; Y45-F49 AromaticContact CD1-CZ 3.58Å; Y45-F49 HydrophobicContact CD1-CZ 3.58Å; Y45-F49 HydrophobicContact CD2-CE2 4.11Å; Y45-F49 HydrophobicContact CD2-CZ 4.15Å; Y45-F49 AromaticContact CE1-CZ 3.97Å; Y45-F49 HydrophobicContact CE1-CZ 3.97Å; Y45-F49 AromaticContact CG-CE2 3.77Å; Y45-F49 HydrophobicContact CG-CE2 3.77Å; Y45-F49 AromaticContact CG-CZ 3.67Å; Y45-F49 HydrophobicContact CG-CZ 3.67Å; Y45-L57 HydrophobicContact CD2-CD1 4.39Å; Y45-L57 HydrophobicContact CE1-CD1 4.48Å; Y45-L57 HydrophobicContact CE2-CD1 3.75Å; Y45-L57 HydrophobicContact CE2-CD2 4.06Å; Y45-L57 HydrophobicContact CE2-CG 4.44Å; Y45-E60 VanDerWaalsContact CE2-OE2 3.24Å; Y45-E60 WeakPolarHBondContact CE2-OE2 3.36Å
46T78.1Confident86.9Confident120 Ų12076.5 Ų76.574%0.73636%0.361SS*.  trans-102.2-2217353.40000112.6
47D84.5Confident86.5Confident108 Ų10877.9 Ų77.958%0.57837%0.368SS*.SBendtrans-103.1161.8-167.6-60.6-15.9000112.4P39 F49P39-D47 VanDerWaalsContact CD-O 3.26Å; P39-D47 WeakPolarHBondContact CD-O 3.41Å; P39-D47 WeakPolarHBondContact CG-O 3.48Å; D47-F49 WeakPolarHBondContact O-CD2 3.42Å; D47-F49 VanDerWaalsContact O-CE2 3.24Å; D47-F49 WeakPolarHBondContact O-CE2 3.31Å
48W89Confident86.1Confident110 Ų11081.4 Ų81.442%0.41738%0.381SS..  trans-83.4147.2178.5-63.272.6000111.4I36 G37 R38 L80I36-W48 HydrophobicContact CD1-CZ3 4.27Å; G37-W48 WeakPolarHBondContact O-CA 3.36Å; R38-W48 HydrophobicContact CB-CE3 4.4Å; R38-W48 HydrophobicContact CB-CZ3 4.48Å; R38-W48 HydrophobicContact CG-CD2 3.99Å; R38-W48 HydrophobicContact CG-CE3 3.31Å; R38-W48 HydrophobicContact CG-CH2 3.49Å; R38-W48 VanDerWaalsContact CG-CH2 3.49Å; R38-W48 HydrophobicContact CG-CZ2 3.96Å; R38-W48 HydrophobicContact CG-CZ3 3.07Å; R38-W48 VanDerWaalsContact CZ-CZ3 3.4Å; W48-L80 HydrophobicContact CB-CD1 4.06Å; W48-L80 HydrophobicContact CD2-CD1 3.59Å; W48-L80 HydrophobicContact CE3-CD1 3.47Å; W48-L80 VanDerWaalsContact CE3-CD1 3.47Å; W48-L80 HydrophobicContact CG-CD1 3.84Å; W48-L80 HydrophobicContact CH2-CD1 4.29Å; W48-L80 HydrophobicContact CZ3-CD1 3.79Å
49F93.2Very high85.8Confident40 Ų4085.7 Ų85.718%0.17541%0.409CS..EExtended strand (participates in β ladder)trans-114.7148.9175.4-61.1-91.8000110.4I36 G37 Y45 D47 H53 A54 L57 L61I36-F49 CarbonylContact C-O 3.57Å; I36-F49 WeakPolarHBondContact CA-O 3.33Å; G37-F49 PolarHBondContact N-O 2.85Å; G37-F49 PolarHBondContact O-N 2.97Å; Y45-F49 HydrophobicContact CD1-CE2 4.17Å; Y45-F49 AromaticContact CD1-CZ 3.58Å; Y45-F49 HydrophobicContact CD1-CZ 3.58Å; Y45-F49 HydrophobicContact CD2-CE2 4.11Å; Y45-F49 HydrophobicContact CD2-CZ 4.15Å; Y45-F49 AromaticContact CE1-CZ 3.97Å; Y45-F49 HydrophobicContact CE1-CZ 3.97Å; Y45-F49 AromaticContact CG-CE2 3.77Å; Y45-F49 HydrophobicContact CG-CE2 3.77Å; Y45-F49 AromaticContact CG-CZ 3.67Å; Y45-F49 HydrophobicContact CG-CZ 3.67Å; D47-F49 WeakPolarHBondContact O-CD2 3.42Å; D47-F49 VanDerWaalsContact O-CE2 3.24Å; D47-F49 WeakPolarHBondContact O-CE2 3.31Å; F49-H53 HydrophobicContact CD1-CB 4.27Å; F49-A54 HydrophobicContact CB-CB 3.79Å; F49-L57 HydrophobicContact CD1-CD1 3.82Å; F49-L57 HydrophobicContact CD2-CD1 4.37Å; F49-L57 HydrophobicContact CE1-CD1 3.5Å; F49-L57 HydrophobicContact CE2-CD1 4.1Å; F49-L57 HydrophobicContact CG-CD1 4.24Å; F49-L57 HydrophobicContact CZ-CD1 3.66Å; F49-L61 HydrophobicContact CB-CD1 3.86Å; F49-L61 HydrophobicContact CD2-CD1 3.42Å; F49-L61 VanDerWaalsContact CD2-CD1 3.42Å; F49-L61 HydrophobicContact CD2-CD2 3.77Å; F49-L61 HydrophobicContact CD2-CG 4.26Å; F49-L61 HydrophobicContact CE2-CD1 4.2Å; F49-L61 HydrophobicContact CE2-CD2 3.93Å; F49-L61 HydrophobicContact CG-CD1 3.79Å
50V95.2Very high85.9Confident10 Ų1087.6 Ų87.66%0.06142%0.416CS..EExtended strand (participates in β ladder)trans-127.5142.5-179.4173.20000109.7I32 L35 E52 H53 L80 V81 Y84I32-V50 HydrophobicContact CG2-CG1 3.76Å; L35-V50 WeakPolarHBondContact O-CA 3.13Å; V50-E52 PolarHBondContact O-N 2.91Å; V50-H53 PolarHBondContact O-N 3.13Å; V50-L80 HydrophobicContact CG2-CB 4.47Å; V50-V81 HydrophobicContact CG1-CB 4.31Å; V50-V81 HydrophobicContact CG1-CG1 4.14Å; V50-V81 HydrophobicContact CG1-CG2 4.08Å; V50-Y84 HydrophobicContact CB-CD1 4.43Å; V50-Y84 HydrophobicContact CB-CD2 4.09Å; V50-Y84 HydrophobicContact CB-CG 3.95Å; V50-Y84 HydrophobicContact CG1-CD1 3.96Å; V50-Y84 HydrophobicContact CG1-CD2 4.49Å; V50-Y84 HydrophobicContact CG1-CG 3.89Å; V50-Y84 HydrophobicContact CG2-CG 4.49Å
51G94.1Very high86.3Confident2 Ų285.6 Ų85.62%0.02140%0.403CS..THydrogen-bonded Turntrans63.4-132169.600000113.3P33 L35 H53 A54 N55P33-G51 WeakPolarHBondContact O-CA 3.31Å; L35-G51 PolarHBondContact O-N 2.99Å; G51-H53 VanDerWaalsContact C-N 3.28Å; G51-H53 PolarHBondContact O-N 3.12Å; G51-A54 WeakPolarHBondContact O-CB 3.14Å; G51-A54 PolarHBondContact O-N 3.19Å; G51-A54 VanDerWaalsContact O-N 3.12Å; G51-N55 PolarHBondContact O-N 2.89Å; G51-N55 VanDerWaalsContact O-N 3.11Å
52E91.1Very high86.9Confident100 Ų10079.7 Ų79.747%0.46738%0.381SS..Hα-helixtrans-62.8-34.8-176.4-162.958-129.600112.4V50 A54 N55 V56V50-E52 PolarHBondContact O-N 2.91Å; E52-A54 VanDerWaalsContact C-N 3.3Å; E52-A54 PolarHBondContact O-N 3.16Å; E52-N55 WeakPolarHBondContact O-CB 3.39Å; E52-N55 PolarHBondContact O-N 3.21Å; E52-N55 VanDerWaalsContact O-N 3.07Å; E52-N55 PolarHBondContact OE1-ND2 3.15Å; E52-V56 WeakPolarHBondContact O-CG2 3.31Å; E52-V56 PolarHBondContact O-N 2.85Å
53H90.9Very high87.6Confident106 Ų10670 Ų7049%0.49135%0.347SS..Hα-helixtrans-61.6-38.8175.6-66119.7000112.1F49 V50 G51 N55 L57F49-H53 HydrophobicContact CD1-CB 4.27Å; V50-H53 PolarHBondContact O-N 3.13Å; G51-H53 VanDerWaalsContact C-N 3.28Å; G51-H53 PolarHBondContact O-N 3.12Å; H53-N55 VanDerWaalsContact C-N 3.33Å; H53-L57 PolarHBondContact O-N 3.06Å
54A92.1Very high88.5Confident0 Ų071.7 Ų71.70%036%0.355CS..Hα-helixtrans-67.8-36.9174.400000111.4L35 F49 G51 E52 L57 R58 L63L35-A54 HydrophobicContact CD2-CB 4.34Å; L35-A54 HydrophobicContact CG-CB 4.39Å; F49-A54 HydrophobicContact CB-CB 3.79Å; G51-A54 WeakPolarHBondContact O-CB 3.14Å; G51-A54 PolarHBondContact O-N 3.19Å; G51-A54 VanDerWaalsContact O-N 3.12Å; E52-A54 VanDerWaalsContact C-N 3.3Å; E52-A54 PolarHBondContact O-N 3.16Å; A54-L57 CarbonylContact O-C 3.53Å; A54-L57 PolarHBondContact O-N 2.79Å; A54-R58 PolarHBondContact O-N 3.42Å; A54-L63 HydrophobicContact CB-CD2 4.03Å
55N86.9Confident89.1Confident29 Ų2966.3 Ų66.316%0.15534%0.335CS..Hα-helixtrans-66.6-41.5-180-172.147.3000112.8L35 G51 E52 H53 L57 R58L35-N55 HydrophobicContact CD2-CB 4.06Å; G51-N55 PolarHBondContact O-N 2.89Å; G51-N55 VanDerWaalsContact O-N 3.11Å; E52-N55 WeakPolarHBondContact O-CB 3.39Å; E52-N55 PolarHBondContact O-N 3.21Å; E52-N55 VanDerWaalsContact O-N 3.07Å; E52-N55 PolarHBondContact OE1-ND2 3.15Å; H53-N55 VanDerWaalsContact C-N 3.33Å; N55-L57 VanDerWaalsContact C-N 3.29Å; N55-L57 PolarHBondContact O-N 3.21Å; N55-R58 WeakPolarHBondContact O-CB 3.38Å; N55-R58 PolarHBondContact O-N 3.41Å; N55-R58 PolarHBondContact OD1-NE 3.46Å; N55-R58 PolarHBondContact OD1-NH2 3.26Å
56V87.2Confident89.8Confident113 Ų11362.9 Ų62.969%0.68532%0.321SS*.Hα-helixtrans-61.6-38.7176.51720000111.5E52 R58E52-V56 WeakPolarHBondContact O-CG2 3.31Å; E52-V56 PolarHBondContact O-N 2.85Å; V56-R58 VanDerWaalsContact C-N 3.32Å; V56-R58 PolarHBondContact O-N 2.87Å
57L87.7Confident90.7Very high29 Ų2957.3 Ų57.315%0.15229%0.287CS..THydrogen-bonded Turntrans-93.220.1-178.7-62.5176.1000113.4Y45 F49 H53 A54 N55 N59 E60 L61Y45-L57 HydrophobicContact CD2-CD1 4.39Å; Y45-L57 HydrophobicContact CE1-CD1 4.48Å; Y45-L57 HydrophobicContact CE2-CD1 3.75Å; Y45-L57 HydrophobicContact CE2-CD2 4.06Å; Y45-L57 HydrophobicContact CE2-CG 4.44Å; F49-L57 HydrophobicContact CD1-CD1 3.82Å; F49-L57 HydrophobicContact CD2-CD1 4.37Å; F49-L57 HydrophobicContact CE1-CD1 3.5Å; F49-L57 HydrophobicContact CE2-CD1 4.1Å; F49-L57 HydrophobicContact CG-CD1 4.24Å; F49-L57 HydrophobicContact CZ-CD1 3.66Å; H53-L57 PolarHBondContact O-N 3.06Å; A54-L57 CarbonylContact O-C 3.53Å; A54-L57 PolarHBondContact O-N 2.79Å; N55-L57 VanDerWaalsContact C-N 3.29Å; N55-L57 PolarHBondContact O-N 3.21Å; L57-N59 PolarHBondContact O-N 2.88Å; L57-N59 VanDerWaalsContact O-N 3.08Å; L57-E60 PolarHBondContact O-N 3.19Å; L57-L61 HydrophobicContact CB-CD1 3.57Å; L57-L61 HydrophobicContact CB-CG 3.94Å; L57-L61 HydrophobicContact CD1-CD1 4.42Å; L57-L61 WeakPolarHBondContact O-CG 3.43Å; L57-L61 PolarHBondContact O-N 3.13Å
58R85.6Confident91.2Very high75 Ų7553.8 Ų53.828%0.28327%0.273SS..THydrogen-bonded Turntrans-51.6-36.4-173.6171170.1-55-98.42.3115.3A54 N55 V56 E60 L61 L63 D203A54-R58 PolarHBondContact O-N 3.42Å; N55-R58 WeakPolarHBondContact O-CB 3.38Å; N55-R58 PolarHBondContact O-N 3.41Å; N55-R58 PolarHBondContact OD1-NE 3.46Å; N55-R58 PolarHBondContact OD1-NH2 3.26Å; V56-R58 VanDerWaalsContact C-N 3.32Å; V56-R58 PolarHBondContact O-N 2.87Å; R58-E60 VanDerWaalsContact C-N 3.25Å; R58-E60 PolarHBondContact O-N 2.98Å; R58-L61 VanDerWaalsContact O-O 3.12Å; R58-L63 HydrophobicContact CB-CD1 3.71Å; R58-L63 HydrophobicContact CG-CD1 3.5Å; R58-D203 IonicContact CZ-OD2 3.04Å; R58-D203 IonicContact NE-OD2 2.9Å; R58-D203 PolarHBondContact NE-OD2 2.88Å; R58-D203 VanDerWaalsContact NE-OD2 3.17Å; R58-D203 IonicContact NH1-OD2 3.87Å; R58-D203 PolarHBondContact NH1-OD2 2.89Å; R58-D203 VanDerWaalsContact NH2-CG 3.34Å; R58-D203 IonicContact NH2-OD1 3.2Å; R58-D203 IonicContact NH2-OD2 2.78Å; R58-D203 PolarHBondContact NH2-OD2 2.88Å
59N84.8Confident91.4Very high164 Ų16451 Ų5188%0.87727%0.266SS*.THydrogen-bonded Turntrans-77.1-13-179.3-64-22.2000112.9L57L57-N59 PolarHBondContact O-N 2.88Å; L57-N59 VanDerWaalsContact O-N 3.08Å
60E87.3Confident91.4Very high71 Ų7149.8 Ų49.833%0.33227%0.265SS..THydrogen-bonded Turntrans-106.4-8.7-179.6-59.8-172.2-146.300112.8K44 Y45 L57 R58K44-E60 VanDerWaalsContact CE-OE2 3.3Å; K44-E60 WeakPolarHBondContact CE-OE2 3.29Å; K44-E60 IonicContact NZ-OE1 2.72Å; K44-E60 PolarHBondContact NZ-OE1 3.16Å; K44-E60 IonicContact NZ-OE2 2.72Å; K44-E60 PolarHBondContact NZ-OE2 3.2Å; Y45-E60 VanDerWaalsContact CE2-OE2 3.24Å; Y45-E60 WeakPolarHBondContact CE2-OE2 3.36Å; L57-E60 PolarHBondContact O-N 3.19Å; R58-E60 VanDerWaalsContact C-N 3.25Å; R58-E60 PolarHBondContact O-N 2.98Å
61L90.6Very high91.5Very high12 Ų1252.4 Ų52.46%0.06328%0.278CS..EExtended strand (participates in β ladder)trans-125.5148.2-171-57.7179.1000112.2R38 P39 F49 L57 R58 L63R38-L61 CarbonylContact O-C 3.53Å; R38-L61 WeakPolarHBondContact O-CA 3.42Å; P39-L61 HydrophobicContact CB-CD2 4.38Å; P39-L61 HydrophobicContact CG-CD2 4.27Å; F49-L61 HydrophobicContact CB-CD1 3.86Å; F49-L61 HydrophobicContact CD2-CD1 3.42Å; F49-L61 VanDerWaalsContact CD2-CD1 3.42Å; F49-L61 HydrophobicContact CD2-CD2 3.77Å; F49-L61 HydrophobicContact CD2-CG 4.26Å; F49-L61 HydrophobicContact CE2-CD1 4.2Å; F49-L61 HydrophobicContact CE2-CD2 3.93Å; F49-L61 HydrophobicContact CG-CD1 3.79Å; L57-L61 HydrophobicContact CB-CD1 3.57Å; L57-L61 HydrophobicContact CB-CG 3.94Å; L57-L61 HydrophobicContact CD1-CD1 4.42Å; L57-L61 WeakPolarHBondContact O-CG 3.43Å; L57-L61 PolarHBondContact O-N 3.13Å; R58-L61 VanDerWaalsContact O-O 3.12Å; L61-L63 HydrophobicContact CB-CD2 3.91Å; L61-L63 HydrophobicContact CD1-CD2 4.48Å; L61-L63 PolarHBondContact O-N 2.92Å
62I90.5Very high91.6Very high100 Ų10052.7 Ų52.751%0.51328%0.279SS..EExtended strand (participates in β ladder)trans-82.9113.7164.1-55.3176.8000107.2R38 T40R38-I62 HydrophobicContact CB-CB 4.38Å; R38-I62 PolarHBondContact N-O 3.27Å; R38-I62 PolarHBondContact O-N 2.92Å; T40-I62 HydrophobicContact CG2-CD1 4.1Å; T40-I62 HydrophobicContact CG2-CG1 3.64Å
63L92Very high91.8Very high41 Ų4151.9 Ų51.922%0.21528%0.281CS..EExtended strand (participates in β ladder)trans-94.8138.2-178.1-59.6-175.9000111.7L35 I36 A54 R58 L61L35-L63 HydrophobicContact CD1-CB 4.01Å; L35-L63 HydrophobicContact CD1-CD1 4.46Å; L35-L63 HydrophobicContact CD2-CD1 4.19Å; I36-L63 WeakPolarHBondContact O-CA 3.44Å; A54-L63 HydrophobicContact CB-CD2 4.03Å; R58-L63 HydrophobicContact CB-CD1 3.71Å; R58-L63 HydrophobicContact CG-CD1 3.5Å; L61-L63 HydrophobicContact CB-CD2 3.91Å; L61-L63 HydrophobicContact CD1-CD2 4.48Å; L61-L63 PolarHBondContact O-N 2.92Å
64N93.7Very high92.1Very high60 Ų6048 Ų4832%0.32126%0.264SS..EExtended strand (participates in β ladder)trans-140.1152.6175.4-175.841.9000110.8I36 D74I36-N64 HydrophobicContact CD1-CB 4.38Å; I36-N64 HydrophobicContact CG1-CB 4.03Å; I36-N64 WeakPolarHBondContact CG1-O 3.15Å; I36-N64 PolarHBondContact N-O 2.72Å; I36-N64 PolarHBondContact O-N 2.68Å; N64-D74 PolarHBondContact ND2-OD2 2.83Å
65C95.3Very high92.3Very high30 Ų3050.1 Ų50.120%0.20328%0.275CS..  trans-101.9124.1165.3-177.90000107.9M34 I67M34-C65 PolarHBondContact O-SG 3.38Å; C65-I67 PolarHBondContact O-N 3.29Å; C65-I67 PolarHBondContact SG-O 3.12Å
66P96.8Very high92.7Very high0 Ų053.5 Ų53.50%029%0.293CS..SBendtrans-74.71-179.431-36.3000114.2M34 T73 D74 L78 V81M34-P66 HydrophobicContact CG-CG 4.19Å; M34-P66 HydrophobicContact SD-CG 3.61Å; P66-T73 PolarHBondContact O-N 3.17Å; P66-T73 PolarHBondContact O-OG1 3.39Å; P66-D74 HydrophobicContact CB-CB 3.98Å; P66-D74 VanDerWaalsContact CB-O 3.26Å; P66-D74 WeakPolarHBondContact CB-O 3.38Å; P66-D74 PolarHBondContact O-N 3.48Å; P66-L78 HydrophobicContact CB-CB 4.11Å; P66-L78 HydrophobicContact CG-CB 4.34Å; P66-V81 HydrophobicContact CG-CG2 4.41Å
67I96.1Very high93.1Very high3 Ų348.1 Ų48.12%0.01526%0.26CS..EExtended strand (participates in β ladder)trans-128.8131.2179.2-59.5-177.3000108.5N13 A15 M34 C65 I71 L78N13-I67 HydrophobicContact CB-CD1 3.65Å; N13-I67 VanDerWaalsContact O-CD1 3.24Å; N13-I67 WeakPolarHBondContact O-CD1 3.3Å; A15-I67 HydrophobicContact CB-CG2 4.36Å; M34-I67 HydrophobicContact CE-CD1 3.76Å; M34-I67 HydrophobicContact CG-CD1 4.37Å; M34-I67 HydrophobicContact CG-CG1 4.45Å; M34-I67 HydrophobicContact SD-CD1 4.22Å; M34-I67 HydrophobicContact SD-CG1 4.48Å; C65-I67 PolarHBondContact O-N 3.29Å; C65-I67 PolarHBondContact SG-O 3.12Å; I67-I71 WeakPolarHBondContact CA-O 3.4Å; I67-L78 HydrophobicContact CD1-CD1 4.23Å
68A95.1Very high93.6Very high35 Ų3546.8 Ų46.829%0.28925%0.253SS..EExtended strand (participates in β ladder)trans-131.8128171.100000109G70 I71 T73 E154A68-G70 PolarHBondContact O-N 3.18Å; A68-I71 PolarHBondContact N-O 3.01Å; A68-I71 WeakPolarHBondContact O-CB 3.47Å; A68-I71 PolarHBondContact O-N 2.84Å; A68-T73 HydrophobicContact CB-CG2 3.73Å; A68-E154 WeakPolarHBondContact CA-OE2 3.19Å
69N94Very high94.2Very high52 Ų5243.3 Ų43.328%0.27824%0.241SC..THydrogen-bonded Turntrans48.545.9-178.5-60.4-59000112.7I71 E154 M155N69-I71 PolarHBondContact O-N 3.18Å; N69-I71 VanDerWaalsContact O-N 3.14Å; N69-E154 PolarHBondContact N-OE2 3.11Å; N69-M155 HydrophobicContact CB-CE 3.43Å; N69-M155 VanDerWaalsContact CB-CE 3.43Å; N69-M155 WeakPolarHBondContact O-CE 3.26Å
70G92.7Very high94.7Very high14 Ų1438 Ų3814%0.14421%0.212CC..THydrogen-bonded Turntrans73.4-4.1178.500000115.1A68 L107A68-G70 PolarHBondContact O-N 3.18Å; G70-L107 VanDerWaalsContact O-CD1 3.31Å; G70-L107 WeakPolarHBondContact O-CD1 3.41Å
71I96.3Very high95.2Very high65 Ų6534.7 Ų34.733%0.33320%0.196SC..EExtended strand (participates in β ladder)trans-97.3135177.9-60.4169.7000108.9I67 A68 N69 T73 L107 P108I67-I71 WeakPolarHBondContact CA-O 3.4Å; A68-I71 PolarHBondContact N-O 3.01Å; A68-I71 WeakPolarHBondContact O-CB 3.47Å; A68-I71 PolarHBondContact O-N 2.84Å; N69-I71 PolarHBondContact O-N 3.18Å; N69-I71 VanDerWaalsContact O-N 3.14Å; I71-T73 PolarHBondContact O-N 3.23Å; I71-L107 HydrophobicContact CG1-CD2 3.86Å; I71-P108 HydrophobicContact CD1-CG 4.24Å
72V97.1Very high95.6Very high8 Ų834.1 Ų34.15%0.04819%0.193CC..EExtended strand (participates in β ladder)trans-72.9109.3172.2-175.70000109.3I75 L78 N111 L115V72-I75 HydrophobicContact CG1-CB 4.28Å; V72-I75 HydrophobicContact CG1-CD1 4.01Å; V72-L78 HydrophobicContact CB-CD2 4.48Å; V72-L78 HydrophobicContact CG1-CB 4.29Å; V72-L78 HydrophobicContact CG1-CD2 3.87Å; V72-L78 HydrophobicContact CG2-CD2 3.72Å; V72-N111 PolarHBondContact N-OD1 3.19Å; V72-L115 HydrophobicContact CG2-CD1 4.28Å; V72-L115 HydrophobicContact CG2-CD2 4.08Å; V72-L115 HydrophobicContact CG2-CG 4.22Å
73T95.9Very high95.9Very high83 Ų8335.6 Ų35.651%0.50919%0.194SC..SBendtrans-91.9-25.3179.953.70000112.6P66 A68 I71P66-T73 PolarHBondContact O-N 3.17Å; P66-T73 PolarHBondContact O-OG1 3.39Å; A68-T73 HydrophobicContact CB-CG2 3.73Å; I71-T73 PolarHBondContact O-N 3.23Å
74D96.1Very high96.1Very high23 Ų2335.7 Ų35.712%0.12319%0.191CC..  trans-138.792.8-178.7-177-7.2000109.3R38 N64 P66 D76 G77 L78R38-D74 IonicContact CZ-OD2 3.67Å; R38-D74 IonicContact NH1-OD2 3.12Å; R38-D74 PolarHBondContact NH1-OD2 2.82Å; R38-D74 IonicContact NH2-OD1 3.39Å; R38-D74 IonicContact NH2-OD2 3.57Å; R38-D74 PolarHBondContact NH2-OD2 3.12Å; N64-D74 PolarHBondContact ND2-OD2 2.83Å; P66-D74 HydrophobicContact CB-CB 3.98Å; P66-D74 VanDerWaalsContact CB-O 3.26Å; P66-D74 WeakPolarHBondContact CB-O 3.38Å; P66-D74 PolarHBondContact O-N 3.48Å; D74-D76 VanDerWaalsContact C-N 3.34Å; D74-G77 PolarHBondContact O-N 2.85Å; D74-G77 PolarHBondContact OD1-N 3.42Å; D74-L78 PolarHBondContact O-N 3.01Å
75I97Very high96.3Very high46 Ų4632.8 Ų32.824%0.23618%0.176CC..Hα-helixtrans-68.7-33.2-175.2-171.360.7000112.3V72 L78 S79 K114 L115 M118V72-I75 HydrophobicContact CG1-CB 4.28Å; V72-I75 HydrophobicContact CG1-CD1 4.01Å; I75-L78 PolarHBondContact O-N 2.89Å; I75-S79 WeakPolarHBondContact O-CB 3.16Å; I75-S79 PolarHBondContact O-N 3.08Å; I75-S79 PolarHBondContact O-OG 3.21Å; I75-K114 HydrophobicContact CD1-CB 4.28Å; I75-K114 HydrophobicContact CG1-CB 4.41Å; I75-L115 HydrophobicContact CD1-CD2 4.42Å; I75-M118 HydrophobicContact CD1-CB 4.1Å; I75-M118 HydrophobicContact CD1-CG 4.44Å; I75-M118 HydrophobicContact CD1-SD 3.78Å
76D95.4Very high96.4Very high100 Ų10031.4 Ų31.454%0.53517%0.166SC..Hα-helixtrans-67.9-43.3175.1-68.7-46.6000110.6D74 S79 L80D74-D76 VanDerWaalsContact C-N 3.34Å; D76-S79 WeakPolarHBondContact O-CB 3.37Å; D76-S79 PolarHBondContact O-N 3.23Å; D76-L80 WeakPolarHBondContact O-CG 3.48Å; D76-L80 PolarHBondContact O-N 3.49Å
77G95.8Very high96.3Very high0 Ų035.4 Ų35.40%019%0.186CC..Hα-helixtrans-55.9-49.617100000112.5I36 D74 S79 L80 V81I36-G77 VanDerWaalsContact CD1-CA 3.44Å; D74-G77 PolarHBondContact O-N 2.85Å; D74-G77 PolarHBondContact OD1-N 3.42Å; G77-S79 VanDerWaalsContact C-N 3.33Å; G77-S79 PolarHBondContact O-N 3.24Å; G77-L80 WeakPolarHBondContact O-CB 3.48Å; G77-L80 PolarHBondContact O-N 3.46Å; G77-V81 WeakPolarHBondContact O-CG2 3.43Å; G77-V81 PolarHBondContact O-N 2.93Å
78L97.8Very high96.2Very high0 Ų041.2 Ų41.20%021%0.211CC..Hα-helixtrans-62.9-39.9176.9-177.260.1000112M34 P66 I67 V72 D74 I75 L80 V81 W82 L115 M118M34-L78 HydrophobicContact CE-CD1 3.96Å; M34-L78 HydrophobicContact SD-CD1 4.03Å; P66-L78 HydrophobicContact CB-CB 4.11Å; P66-L78 HydrophobicContact CG-CB 4.34Å; I67-L78 HydrophobicContact CD1-CD1 4.23Å; V72-L78 HydrophobicContact CB-CD2 4.48Å; V72-L78 HydrophobicContact CG1-CB 4.29Å; V72-L78 HydrophobicContact CG1-CD2 3.87Å; V72-L78 HydrophobicContact CG2-CD2 3.72Å; D74-L78 PolarHBondContact O-N 3.01Å; I75-L78 PolarHBondContact O-N 2.89Å; L78-L80 VanDerWaalsContact C-N 3.27Å; L78-L80 PolarHBondContact O-N 2.85Å; L78-V81 WeakPolarHBondContact O-CB 3.38Å; L78-V81 PolarHBondContact O-N 2.85Å; L78-V81 VanDerWaalsContact O-N 3.08Å; L78-W82 PolarHBondContact O-N 3.26Å; L78-L115 HydrophobicContact CD2-CD2 3.61Å; L78-M118 HydrophobicContact CD2-CE 4.4Å; L78-M118 HydrophobicContact CG-SD 4.4Å
79S97.3Very high96.2Very high3 Ų343.6 Ų43.62%0.02122%0.217CC..Hα-helixtrans-58.7-38.6175.5-60.40000111.9I75 D76 G77 V81 W82 Y83 M118 K122I75-S79 WeakPolarHBondContact O-CB 3.16Å; I75-S79 PolarHBondContact O-N 3.08Å; I75-S79 PolarHBondContact O-OG 3.21Å; D76-S79 WeakPolarHBondContact O-CB 3.37Å; D76-S79 PolarHBondContact O-N 3.23Å; G77-S79 VanDerWaalsContact C-N 3.33Å; G77-S79 PolarHBondContact O-N 3.24Å; S79-V81 VanDerWaalsContact C-N 3.34Å; S79-W82 PolarHBondContact O-N 3.34Å; S79-Y83 WeakPolarHBondContact O-CB 3.46Å; S79-Y83 PolarHBondContact O-N 2.72Å; S79-M118 PolarHBondContact OG-SD 3.35Å; S79-K122 PolarHBondContact OG-NZ 2.7Å; S79-K122 VanDerWaalsContact OG-NZ 3.16Å
80L96.1Very high96.3Very high53 Ų5342.1 Ų42.128%0.27721%0.208SC..Hα-helixtrans-64.9-39175.6-70.2169.7000111.6W48 V50 D76 G77 L78 Y83 Y84W48-L80 HydrophobicContact CB-CD1 4.06Å; W48-L80 HydrophobicContact CD2-CD1 3.59Å; W48-L80 HydrophobicContact CE3-CD1 3.47Å; W48-L80 VanDerWaalsContact CE3-CD1 3.47Å; W48-L80 HydrophobicContact CG-CD1 3.84Å; W48-L80 HydrophobicContact CH2-CD1 4.29Å; W48-L80 HydrophobicContact CZ3-CD1 3.79Å; V50-L80 HydrophobicContact CG2-CB 4.47Å; D76-L80 WeakPolarHBondContact O-CG 3.48Å; D76-L80 PolarHBondContact O-N 3.49Å; G77-L80 WeakPolarHBondContact O-CB 3.48Å; G77-L80 PolarHBondContact O-N 3.46Å; L78-L80 VanDerWaalsContact C-N 3.27Å; L78-L80 PolarHBondContact O-N 2.85Å; L80-Y83 PolarHBondContact O-N 3.22Å; L80-Y84 WeakPolarHBondContact O-CB 3.42Å; L80-Y84 PolarHBondContact O-N 2.93Å
81V97.9Very high96.4Very high0 Ų051.1 Ų51.10%024%0.238CC..Hα-helixtrans-63.6-43.7174.7-1760000110.8L18 I32 M34 I36 V50 P66 G77 L78 S79 Y84 M85L18-V81 HydrophobicContact CB-CG1 4.4Å; L18-V81 HydrophobicContact CD1-CG1 3.98Å; I32-V81 HydrophobicContact CG2-CG1 4.05Å; M34-V81 HydrophobicContact SD-CG1 4.3Å; M34-V81 HydrophobicContact SD-CG2 4.18Å; I36-V81 HydrophobicContact CG2-CG2 3.61Å; V50-V81 HydrophobicContact CG1-CB 4.31Å; V50-V81 HydrophobicContact CG1-CG1 4.14Å; V50-V81 HydrophobicContact CG1-CG2 4.08Å; P66-V81 HydrophobicContact CG-CG2 4.41Å; G77-V81 WeakPolarHBondContact O-CG2 3.43Å; G77-V81 PolarHBondContact O-N 2.93Å; L78-V81 WeakPolarHBondContact O-CB 3.38Å; L78-V81 PolarHBondContact O-N 2.85Å; L78-V81 VanDerWaalsContact O-N 3.08Å; S79-V81 VanDerWaalsContact C-N 3.34Å; V81-Y84 PolarHBondContact O-N 3.04Å; V81-M85 WeakPolarHBondContact O-CB 3.42Å; V81-M85 PolarHBondContact O-N 2.84Å
82W98.3Very high96.4Very high0 Ų049.3 Ų49.30%023%0.23CC..Hα-helixtrans-65.6-40.6176.4-84.143.1000112.5V11 N13 L78 S79 Y84 M85 F86 V99 I101 M118 V119 F123 M125V11-W82 HydrophobicContact CB-CH2 4.46Å; V11-W82 HydrophobicContact CB-CZ2 3.99Å; V11-W82 HydrophobicContact CG1-CZ2 3.62Å; V11-W82 HydrophobicContact CG2-CH2 4.26Å; V11-W82 HydrophobicContact CG2-CZ2 4.12Å; N13-W82 PolarHBondContact OD1-NE1 3.44Å; L78-W82 PolarHBondContact O-N 3.26Å; S79-W82 PolarHBondContact O-N 3.34Å; W82-Y84 VanDerWaalsContact C-N 3.35Å; W82-Y84 PolarHBondContact O-N 2.87Å; W82-M85 HydrophobicContact CB-CE 4.41Å; W82-M85 HydrophobicContact CD2-CE 4.24Å; W82-M85 HydrophobicContact CE3-CE 4.47Å; W82-M85 HydrophobicContact CG-CE 4.24Å; W82-M85 WeakPolarHBondContact O-CB 3.45Å; W82-M85 PolarHBondContact O-N 2.98Å; W82-F86 HydrophobicContact CB-CE2 4.42Å; W82-F86 HydrophobicContact CD2-CE2 4.49Å; W82-F86 AromaticContact CE3-CE2 3.76Å; W82-F86 HydrophobicContact CE3-CE2 3.76Å; W82-F86 HydrophobicContact CE3-CZ 4.16Å; W82-F86 HydrophobicContact CZ3-CE2 4.38Å; W82-F86 HydrophobicContact CZ3-CZ 4.4Å; W82-F86 WeakPolarHBondContact O-CD2 3.44Å; W82-F86 PolarHBondContact O-N 3.16Å; W82-V99 HydrophobicContact CH2-CG2 4.04Å; W82-I101 HydrophobicContact CH2-CD1 3.55Å; W82-I101 HydrophobicContact CH2-CG1 4.03Å; W82-I101 HydrophobicContact CZ2-CD1 3.93Å; W82-I101 HydrophobicContact CZ2-CG1 4.31Å; W82-M118 HydrophobicContact CD2-CE 3.53Å; W82-M118 HydrophobicContact CE3-CE 3.62Å; W82-M118 HydrophobicContact CG-CE 4.12Å; W82-M118 HydrophobicContact CH2-CE 4.05Å; W82-M118 HydrophobicContact CZ2-CE 3.93Å; W82-M118 HydrophobicContact CZ3-CE 3.89Å; W82-V119 HydrophobicContact CH2-CG2 3.89Å; W82-V119 HydrophobicContact CZ3-CG2 3.76Å; W82-F123 HydrophobicContact CB-CE1 4.3Å; W82-F123 HydrophobicContact CB-CE2 3.58Å; W82-F123 HydrophobicContact CB-CZ 3.39Å; W82-F123 HydrophobicContact CD2-CE2 4.25Å; W82-F123 AromaticContact CE3-CD2 3.77Å; W82-F123 HydrophobicContact CE3-CD2 3.77Å; W82-F123 AromaticContact CE3-CE2 3.74Å; W82-F123 HydrophobicContact CE3-CE2 3.74Å; W82-F123 HydrophobicContact CG-CE2 4.24Å; W82-F123 HydrophobicContact CG-CZ 4.48Å; W82-F123 HydrophobicContact CZ3-CD2 4.43Å; W82-M125 HydrophobicContact CZ3-SD 4.15Å
83Y97.2Very high96.3Very high132 Ų13252 Ų5252%0.51824%0.244SC..Hα-helixtrans-60.8-45.1173.6-179.9-94.6000111.2S79 L80 M85 F86 M87S79-Y83 WeakPolarHBondContact O-CB 3.46Å; S79-Y83 PolarHBondContact O-N 2.72Å; L80-Y83 PolarHBondContact O-N 3.22Å; Y83-M85 VanDerWaalsContact C-N 3.35Å; Y83-M85 PolarHBondContact O-N 3.35Å; Y83-F86 PolarHBondContact O-N 3.47Å; Y83-M87 HydrophobicContact CD1-CG 4.3Å; Y83-M87 HydrophobicContact CD2-CE 4.37Å; Y83-M87 HydrophobicContact CD2-CG 3.86Å; Y83-M87 HydrophobicContact CE1-CB 4.35Å; Y83-M87 HydrophobicContact CE1-CG 4.05Å; Y83-M87 HydrophobicContact CE2-CE 4.02Å; Y83-M87 HydrophobicContact CE2-CG 3.58Å; Y83-M87 HydrophobicContact CE2-SD 4.43Å; Y83-M87 HydrophobicContact CG-CG 4.22Å; Y83-M87 VanDerWaalsContact O-CB 3.26Å; Y83-M87 WeakPolarHBondContact O-CB 3.23Å; Y83-M87 VanDerWaalsContact O-CG 3.3Å; Y83-M87 WeakPolarHBondContact O-CG 3.26Å; Y83-M87 PolarHBondContact O-N 2.9Å
84Y96.4Very high96.4Very high42 Ų4248.4 Ų48.417%0.16522%0.222CC..Hα-helixtrans-59.4-45.2173.8-179.1-87000111.5I32 V50 L80 V81 W82 K88 E89I32-Y84 HydrophobicContact CD1-CD1 3.81Å; I32-Y84 HydrophobicContact CD1-CE1 4.22Å; I32-Y84 HydrophobicContact CG1-CD1 4.21Å; I32-Y84 HydrophobicContact CG1-CE1 4.18Å; V50-Y84 HydrophobicContact CB-CD1 4.43Å; V50-Y84 HydrophobicContact CB-CD2 4.09Å; V50-Y84 HydrophobicContact CB-CG 3.95Å; V50-Y84 HydrophobicContact CG1-CD1 3.96Å; V50-Y84 HydrophobicContact CG1-CD2 4.49Å; V50-Y84 HydrophobicContact CG1-CG 3.89Å; V50-Y84 HydrophobicContact CG2-CG 4.49Å; L80-Y84 WeakPolarHBondContact O-CB 3.42Å; L80-Y84 PolarHBondContact O-N 2.93Å; V81-Y84 PolarHBondContact O-N 3.04Å; W82-Y84 VanDerWaalsContact C-N 3.35Å; W82-Y84 PolarHBondContact O-N 2.87Å; Y84-K88 HydrophobicContact CD2-CB 4.15Å; Y84-K88 HydrophobicContact CD2-CG 3.85Å; Y84-K88 HydrophobicContact CE1-CB 4.49Å; Y84-K88 HydrophobicContact CE2-CB 3.99Å; Y84-K88 HydrophobicContact CE2-CG 3.92Å; Y84-K88 HydrophobicContact CG-CB 4.46Å; Y84-K88 HydrophobicContact CG-CG 4.46Å; Y84-K88 WeakPolarHBondContact O-CB 3.37Å; Y84-K88 PolarHBondContact O-N 3.23Å; Y84-E89 HydrophobicContact CD1-CG 3.95Å; Y84-E89 HydrophobicContact CE1-CG 3.46Å; Y84-E89 VanDerWaalsContact CE1-CG 3.46Å; Y84-E89 WeakPolarHBondContact CE1-OE1 3.5Å; Y84-E89 VanDerWaalsContact CZ-OE1 3.27Å; Y84-E89 PolarHBondContact O-N 2.89Å; Y84-E89 PolarHBondContact OH-OE1 2.84Å
85M97.3Very high96.4Very high0 Ų051.8 Ų51.80%024%0.237CC..Iπ-helixtrans-56.5-51.4175.4175.5-166.568.600112V11 L18 A20 I30 I32 V81 W82 Y83 E89 L90V11-M85 HydrophobicContact CG2-CE 4.27Å; V11-M85 HydrophobicContact CG2-SD 4.28Å; L18-M85 HydrophobicContact CD1-SD 4.29Å; L18-M85 HydrophobicContact CD2-CG 4.19Å; L18-M85 HydrophobicContact CD2-SD 3.53Å; L18-M85 VanDerWaalsContact CD2-SD 3.53Å; A20-M85 HydrophobicContact CB-CG 4Å; A20-M85 HydrophobicContact CB-SD 3.25Å; A20-M85 WeakPolarHBondContact CB-SD 3.3Å; I30-M85 HydrophobicContact CD1-CG 4.14Å; I32-M85 HydrophobicContact CD1-CB 3.73Å; I32-M85 HydrophobicContact CD1-CG 4.31Å; V81-M85 WeakPolarHBondContact O-CB 3.42Å; V81-M85 PolarHBondContact O-N 2.84Å; W82-M85 HydrophobicContact CB-CE 4.41Å; W82-M85 HydrophobicContact CD2-CE 4.24Å; W82-M85 HydrophobicContact CE3-CE 4.47Å; W82-M85 HydrophobicContact CG-CE 4.24Å; W82-M85 WeakPolarHBondContact O-CB 3.45Å; W82-M85 PolarHBondContact O-N 2.98Å; Y83-M85 VanDerWaalsContact C-N 3.35Å; Y83-M85 PolarHBondContact O-N 3.35Å; M85-E89 PolarHBondContact O-N 2.94Å; M85-L90 HydrophobicContact CG-CD1 4.34Å; M85-L90 HydrophobicContact CG-CG 4.4Å; M85-L90 PolarHBondContact O-N 3.27Å
86F97.3Very high96.4Very high0 Ų052.4 Ų52.40%024%0.241CC..Iπ-helixtrans-70.7-42.2-178.1-68.7-56.9000112.8I9 W82 Y83 L90 R91 T92 P94 F123 M125I9-F86 HydrophobicContact CD1-CD1 4.36Å; I9-F86 HydrophobicContact CD1-CE1 3.7Å; W82-F86 HydrophobicContact CB-CE2 4.42Å; W82-F86 HydrophobicContact CD2-CE2 4.49Å; W82-F86 AromaticContact CE3-CE2 3.76Å; W82-F86 HydrophobicContact CE3-CE2 3.76Å; W82-F86 HydrophobicContact CE3-CZ 4.16Å; W82-F86 HydrophobicContact CZ3-CE2 4.38Å; W82-F86 HydrophobicContact CZ3-CZ 4.4Å; W82-F86 WeakPolarHBondContact O-CD2 3.44Å; W82-F86 PolarHBondContact O-N 3.16Å; Y83-F86 PolarHBondContact O-N 3.47Å; F86-L90 HydrophobicContact CD1-CD1 4.04Å; F86-L90 HydrophobicContact CE1-CD1 4.22Å; F86-R91 WeakPolarHBondContact O-CA 3.24Å; F86-R91 PolarHBondContact O-N 3.26Å; F86-T92 HydrophobicContact CD1-CG2 4.22Å; F86-T92 PolarHBondContact O-N 3.19Å; F86-T92 VanDerWaalsContact O-N 3.15Å; F86-P94 HydrophobicContact CD1-CB 4.12Å; F86-P94 HydrophobicContact CD2-CB 3.96Å; F86-P94 HydrophobicContact CD2-CG 4.08Å; F86-P94 HydrophobicContact CE1-CB 3.97Å; F86-P94 HydrophobicContact CE2-CB 3.79Å; F86-P94 HydrophobicContact CE2-CG 4.35Å; F86-P94 HydrophobicContact CG-CB 4.13Å; F86-P94 HydrophobicContact CG-CG 4.24Å; F86-P94 HydrophobicContact CZ-CB 3.81Å; F86-F123 AromaticContact CD2-CD1 3.84Å; F86-F123 HydrophobicContact CD2-CD1 3.84Å; F86-F123 AromaticContact CD2-CE1 3.83Å; F86-F123 HydrophobicContact CD2-CE1 3.83Å; F86-F123 HydrophobicContact CD2-CZ 4.48Å; F86-F123 AromaticContact CE2-CD1 3.89Å; F86-F123 HydrophobicContact CE2-CD1 3.89Å; F86-F123 HydrophobicContact CE2-CD2 4.49Å; F86-F123 HydrophobicContact CE2-CE1 4.11Å; F86-F123 HydrophobicContact CE2-CG 4.1Å; F86-M125 HydrophobicContact CE1-CE 4.45Å; F86-M125 HydrophobicContact CE2-SD 4.5Å; F86-M125 HydrophobicContact CZ-CE 4.01Å; F86-M125 HydrophobicContact CZ-SD 4Å
87M95.5Very high96.4Very high84 Ų8447.7 Ų47.741%0.41422%0.216SC..Iπ-helixtrans-88.6-32.8-169.3-61.8-62.3168.100114.1Y83Y83-M87 HydrophobicContact CD1-CG 4.3Å; Y83-M87 HydrophobicContact CD2-CE 4.37Å; Y83-M87 HydrophobicContact CD2-CG 3.86Å; Y83-M87 HydrophobicContact CE1-CB 4.35Å; Y83-M87 HydrophobicContact CE1-CG 4.05Å; Y83-M87 HydrophobicContact CE2-CE 4.02Å; Y83-M87 HydrophobicContact CE2-CG 3.58Å; Y83-M87 HydrophobicContact CE2-SD 4.43Å; Y83-M87 HydrophobicContact CG-CG 4.22Å; Y83-M87 VanDerWaalsContact O-CB 3.26Å; Y83-M87 WeakPolarHBondContact O-CB 3.23Å; Y83-M87 VanDerWaalsContact O-CG 3.3Å; Y83-M87 WeakPolarHBondContact O-CG 3.26Å; Y83-M87 PolarHBondContact O-N 2.9Å
88K94.1Very high96.5Very high125 Ų12548 Ų4854%0.54322%0.217SC..Iπ-helixtrans-103.3-41.7-175.2-59.6-59.5-174.3-177.90112.5Y84 R91Y84-K88 HydrophobicContact CD2-CB 4.15Å; Y84-K88 HydrophobicContact CD2-CG 3.85Å; Y84-K88 HydrophobicContact CE1-CB 4.49Å; Y84-K88 HydrophobicContact CE2-CB 3.99Å; Y84-K88 HydrophobicContact CE2-CG 3.92Å; Y84-K88 HydrophobicContact CG-CB 4.46Å; Y84-K88 HydrophobicContact CG-CG 4.46Å; Y84-K88 WeakPolarHBondContact O-CB 3.37Å; Y84-K88 PolarHBondContact O-N 3.23Å; K88-R91 PolarHBondContact O-NE 3.47Å; K88-R91 VanDerWaalsContact O-NE 3.11Å
89E95.1Very high96.5Very high86 Ų8648 Ų4840%0.40222%0.217SC..Iπ-helixtrans-95.3-64.2-171.6-58.6-66160.300112.3I30 I32 Y84 M85I30-E89 HydrophobicContact CD1-CB 3.39Å; I30-E89 HydrophobicContact CG1-CB 3.76Å; I30-E89 HydrophobicContact CG2-CB 3.99Å; I30-E89 HydrophobicContact CG2-CG 4.15Å; I32-E89 HydrophobicContact CD1-CG 4.11Å; I32-E89 HydrophobicContact CG1-CG 4.32Å; Y84-E89 HydrophobicContact CD1-CG 3.95Å; Y84-E89 HydrophobicContact CE1-CG 3.46Å; Y84-E89 VanDerWaalsContact CE1-CG 3.46Å; Y84-E89 WeakPolarHBondContact CE1-OE1 3.5Å; Y84-E89 VanDerWaalsContact CZ-OE1 3.27Å; Y84-E89 PolarHBondContact O-N 2.89Å; Y84-E89 PolarHBondContact OH-OE1 2.84Å; M85-E89 PolarHBondContact O-N 2.94Å
90L95.1Very high96.6Very high20 Ų2047.8 Ų47.811%0.10522%0.216CC..Iπ-helixtrans-70.8-33.9178.8-76-177.8000112.2I9 Y22 I30 M85 F86 T92I9-L90 HydrophobicContact CD1-CD1 3.95Å; I9-L90 HydrophobicContact CG2-CD1 4.13Å; Y22-L90 HydrophobicContact CE2-CD2 3.96Å; I30-L90 HydrophobicContact CD1-CB 3.99Å; I30-L90 HydrophobicContact CD1-CD1 4.35Å; I30-L90 HydrophobicContact CD1-CD2 3.26Å; I30-L90 HydrophobicContact CD1-CG 3.2Å; I30-L90 HydrophobicContact CG1-CD2 4.21Å; M85-L90 HydrophobicContact CG-CD1 4.34Å; M85-L90 HydrophobicContact CG-CG 4.4Å; M85-L90 PolarHBondContact O-N 3.27Å; F86-L90 HydrophobicContact CD1-CD1 4.04Å; F86-L90 HydrophobicContact CE1-CD1 4.22Å; L90-T92 VanDerWaalsContact C-N 3.34Å; L90-T92 HydrophobicContact CB-CG2 4.02Å; L90-T92 HydrophobicContact CD1-CG2 4.24Å; L90-T92 PolarHBondContact O-N 3.07Å
91R95.7Very high96.7Very high203 Ų20345.3 Ų45.377%0.76620%0.203SC*.  trans53.249.6-175.5-55.3178.5-174.6177.81112.1F86 K88F86-R91 WeakPolarHBondContact O-CA 3.24Å; F86-R91 PolarHBondContact O-N 3.26Å; K88-R91 PolarHBondContact O-NE 3.47Å; K88-R91 VanDerWaalsContact O-NE 3.11Å
92T95.2Very high96.6Very high27 Ų2745.7 Ų45.717%0.16621%0.206CC..  trans-130.5157.4178.1-163.10000111.5I9 Y22 F86 L90 P94 H97I9-T92 HydrophobicContact CD1-CG2 3.93Å; Y22-T92 WeakPolarHBondContact OH-CB 3.41Å; Y22-T92 WeakPolarHBondContact OH-CG2 3.41Å; F86-T92 HydrophobicContact CD1-CG2 4.22Å; F86-T92 PolarHBondContact O-N 3.19Å; F86-T92 VanDerWaalsContact O-N 3.15Å; L90-T92 VanDerWaalsContact C-N 3.34Å; L90-T92 HydrophobicContact CB-CG2 4.02Å; L90-T92 HydrophobicContact CD1-CG2 4.24Å; L90-T92 PolarHBondContact O-N 3.07Å; T92-P94 WeakPolarHBondContact O-CD 3.37Å; T92-H97 PolarHBondContact OG1-NE2 3.18Å
93N96.3Very high96.5Very high66 Ų6646.7 Ų46.735%0.35321%0.211SC..  trans-81.7115.4172.7-174.71.7000109.6E95 N96 H97N93-E95 PolarHBondContact O-N 2.92Å; N93-E95 VanDerWaalsContact O-N 3.12Å; N93-E95 WeakPolarHBondContact OD1-CB 3.4Å; N93-E95 PolarHBondContact OD1-N 2.98Å; N93-E95 VanDerWaalsContact OD1-N 3.15Å; N93-N96 PolarHBondContact O-N 3.14Å; N93-N96 VanDerWaalsContact O-N 3.12Å; N93-H97 PolarHBondContact O-CD2 3.21Å
94P97.2Very high96.3Very high6 Ų642 Ų424%0.03919%0.192CC..G310 helixtrans-57.5-25.2178.123.6-34.3000113.9F86 T92 N96 H97 F123 M125F86-P94 HydrophobicContact CD1-CB 4.12Å; F86-P94 HydrophobicContact CD2-CB 3.96Å; F86-P94 HydrophobicContact CD2-CG 4.08Å; F86-P94 HydrophobicContact CE1-CB 3.97Å; F86-P94 HydrophobicContact CE2-CB 3.79Å; F86-P94 HydrophobicContact CE2-CG 4.35Å; F86-P94 HydrophobicContact CG-CB 4.13Å; F86-P94 HydrophobicContact CG-CG 4.24Å; F86-P94 HydrophobicContact CZ-CB 3.81Å; T92-P94 WeakPolarHBondContact O-CD 3.37Å; P94-N96 PolarHBondContact O-N 2.85Å; P94-N96 VanDerWaalsContact O-N 3.13Å; P94-H97 PolarHBondContact O-N 2.75Å; P94-F123 HydrophobicContact CB-CB 4.13Å; P94-F123 HydrophobicContact CG-CB 4.23Å; P94-F123 HydrophobicContact CG-CD1 4.04Å; P94-M125 HydrophobicContact CB-CE 4.23Å; P94-M125 HydrophobicContact CB-CG 3.91Å; P94-M125 HydrophobicContact CB-SD 4.19Å; P94-M125 WeakPolarHBondContact O-CG 3.33Å
95E97.1Very high96.1Very high94 Ų9440.2 Ų40.244%0.43919%0.186SC..G310 helixtrans-62.5-18.3177.5-65.8-179.6-173.100114.2N93 H124 P126N93-E95 PolarHBondContact O-N 2.92Å; N93-E95 VanDerWaalsContact O-N 3.12Å; N93-E95 WeakPolarHBondContact OD1-CB 3.4Å; N93-E95 PolarHBondContact OD1-N 2.98Å; N93-E95 VanDerWaalsContact OD1-N 3.15Å; E95-H124 HydrophobicContact CG-CB 3.6Å; E95-H124 IonicContact OE1-CD2 3.18Å; E95-H124 IonicContact OE1-CG 3.49Å; E95-P126 VanDerWaalsContact O-CD 3.27Å; E95-P126 WeakPolarHBondContact O-CD 3.5Å
96N96.1Very high95.8Very high59 Ų5945.6 Ų45.632%0.31621%0.214SC..G310 helixtrans-93.71.9-178.4-64.9-8.1000113.1D6 N93 P94D6-N96 VanDerWaalsContact CA-O 3.32Å; D6-N96 WeakPolarHBondContact CA-O 3.31Å; D6-N96 PolarHBondContact N-O 3.36Å; N93-N96 PolarHBondContact O-N 3.14Å; N93-N96 VanDerWaalsContact O-N 3.12Å; P94-N96 PolarHBondContact O-N 2.85Å; P94-N96 VanDerWaalsContact O-N 3.13Å
97H96.8Very high95.6Very high2 Ų246.9 Ų46.91%0.00922%0.221CC..  trans-138.5125.8-168.7-57.6-74000112.2I4 L7 I9 Y22 T92 N93 P94 M125 P126I4-H97 PolarHBondContact O-CE1 3.01Å; L7-H97 WeakPolarHBondContact O-CB 3.41Å; L7-H97 PolarHBondContact O-ND1 3.08Å; I9-H97 HydrophobicContact CD1-CB 3.61Å; I9-H97 HydrophobicContact CG1-CB 3.8Å; Y22-H97 AromaticContact CE1-CE1 3.88Å; T92-H97 PolarHBondContact OG1-NE2 3.18Å; N93-H97 PolarHBondContact O-CD2 3.21Å; P94-H97 PolarHBondContact O-N 2.75Å; H97-M125 HydrophobicContact CB-CE 4.43Å; H97-M125 WeakPolarHBondContact O-CE 3.43Å; H97-P126 VanDerWaalsContact O-CD 3.29Å; H97-P126 WeakPolarHBondContact O-CD 3.38Å
98P97Very high95.6Very high5 Ų545.9 Ų45.93%0.03222%0.22CC..  trans-66.4158.1163.929.8-32.7000109.9P8 I9 G127 Y355P8-P98 CarbonylContact C-O 3.53Å; P8-P98 VanDerWaalsContact CA-O 3.24Å; P8-P98 WeakPolarHBondContact CA-O 3.23Å; P8-P98 HydrophobicContact CB-CG 4.03Å; P8-P98 HydrophobicContact CG-CG 3.92Å; I9-P98 PolarHBondContact N-O 3.13Å; P98-G127 CarbonylContact C-O 3.44Å; P98-G127 VanDerWaalsContact CA-O 3.31Å; P98-G127 WeakPolarHBondContact CA-O 3.48Å; P98-Y355 HydrophobicContact CB-CD1 4.12Å; P98-Y355 HydrophobicContact CB-CE1 3.86Å; P98-Y355 HydrophobicContact CG-CE1 3.99Å
99V98.2Very high95.6Very high0 Ų046.7 Ų46.70%022%0.224CC..EExtended strand (participates in β ladder)trans-121.4135.3179.965.30000112.2I9 V11 W82 I101 V119 M125 G127 L128 F129I9-V99 CarbonylContact O-C 3.51Å; I9-V99 VanDerWaalsContact O-CA 3.3Å; I9-V99 WeakPolarHBondContact O-CA 3.33Å; I9-V99 WeakPolarHBondContact O-CG2 3.1Å; V11-V99 HydrophobicContact CB-CG2 4.35Å; V11-V99 HydrophobicContact CG2-CG2 3.76Å; W82-V99 HydrophobicContact CH2-CG2 4.04Å; V99-I101 HydrophobicContact CG1-CD1 4.45Å; V99-I101 HydrophobicContact CG1-CG1 4.32Å; V99-I101 HydrophobicContact CG2-CG1 3.89Å; V99-V119 HydrophobicContact CG1-CG1 3.68Å; V99-V119 HydrophobicContact CG1-CG2 4.04Å; V99-M125 HydrophobicContact CB-CE 3.61Å; V99-M125 HydrophobicContact CB-SD 4.01Å; V99-M125 HydrophobicContact CG1-CE 4.11Å; V99-M125 HydrophobicContact CG1-SD 3.9Å; V99-M125 HydrophobicContact CG2-CE 4.39Å; V99-G127 PolarHBondContact N-O 2.94Å; V99-L128 HydrophobicContact CG1-CD1 3.68Å; V99-L128 CarbonylContact O-C 3.51Å; V99-L128 WeakPolarHBondContact O-CA 3.41Å; V99-F129 PolarHBondContact O-N 3.06Å
100L98.2Very high95.6Very high0 Ų045.3 Ų45.30%022%0.224CC..EExtended strand (participates in β ladder)trans-99.5125.9162.9-178.2154.7000108.3I9 V10 V11 F129 T131 L136 L345 A346 F351I9-L100 PolarHBondContact O-N 2.89Å; V10-L100 HydrophobicContact CG1-CD2 4.01Å; V10-L100 HydrophobicContact CG2-CB 4.38Å; V11-L100 PolarHBondContact N-O 3.33Å; L100-F129 CarbonylContact C-O 3.55Å; L100-F129 WeakPolarHBondContact CA-O 3.26Å; L100-F129 HydrophobicContact CD1-CD1 4.09Å; L100-F129 HydrophobicContact CG-CD1 4.28Å; L100-T131 HydrophobicContact CD1-CG2 4.08Å; L100-T131 HydrophobicContact CD2-CG2 3.63Å; L100-T131 HydrophobicContact CG-CG2 3.92Å; L100-L136 HydrophobicContact CD2-CD1 4.15Å; L100-L345 HydrophobicContact CD1-CB 4.35Å; L100-L345 HydrophobicContact CD1-CD2 4.02Å; L100-L345 HydrophobicContact CD1-CG 4.2Å; L100-A346 HydrophobicContact CB-CB 4.43Å; L100-A346 HydrophobicContact CD1-CB 4.04Å; L100-F351 HydrophobicContact CB-CE2 4.33Å; L100-F351 HydrophobicContact CB-CZ 3.96Å; L100-F351 HydrophobicContact CD1-CE2 3.84Å; L100-F351 HydrophobicContact CD1-CZ 4.32Å
101I98.3Very high95.6Very high1 Ų144.7 Ų44.71%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-114.1123.7175.7-55.3179.5000109V11 W82 V99 V119 L128 F129 F130 T131V11-I101 WeakPolarHBondContact O-CA 3.34Å; W82-I101 HydrophobicContact CH2-CD1 3.55Å; W82-I101 HydrophobicContact CH2-CG1 4.03Å; W82-I101 HydrophobicContact CZ2-CD1 3.93Å; W82-I101 HydrophobicContact CZ2-CG1 4.31Å; V99-I101 HydrophobicContact CG1-CD1 4.45Å; V99-I101 HydrophobicContact CG1-CG1 4.32Å; V99-I101 HydrophobicContact CG2-CG1 3.89Å; I101-V119 HydrophobicContact CD1-CG2 3.93Å; I101-L128 HydrophobicContact CD1-CD1 3.61Å; I101-L128 HydrophobicContact CG1-CD1 3.93Å; I101-F129 PolarHBondContact N-O 3.13Å; I101-F130 HydrophobicContact CB-CD1 3.9Å; I101-F130 HydrophobicContact CB-CE1 3.97Å; I101-F130 HydrophobicContact CD1-CE1 3.89Å; I101-F130 HydrophobicContact CD1-CZ 4.38Å; I101-F130 HydrophobicContact CG1-CE1 4.46Å; I101-F130 HydrophobicContact CG2-CD1 4.18Å; I101-F130 HydrophobicContact CG2-CE1 4.09Å; I101-F130 WeakPolarHBondContact O-CA 3.29Å; I101-T131 PolarHBondContact O-N 2.86Å
102S97.1Very high95.7Very high7 Ų737.5 Ų37.55%0.04919%0.194CC..EExtended strand (participates in β ladder)trans-81.7140.1170.762.90000111.4V11 D12 T131V11-S102 PolarHBondContact O-N 3.16Å; V11-S102 VanDerWaalsContact O-N 3.13Å; D12-S102 VanDerWaalsContact CA-OG 3.29Å; D12-S102 WeakPolarHBondContact CA-OG 3.22Å; D12-S102 VanDerWaalsContact CB-OG 3.26Å; D12-S102 WeakPolarHBondContact CB-OG 3.38Å; D12-S102 PolarHBondContact OD1-OG 2.88Å; S102-T131 WeakPolarHBondContact CA-O 3.23Å
103E95.3Very high95.8Very high22 Ų2239 Ų3910%0.10320%0.198CC..EExtended strand (participates in β ladder)trans-139.9160.9176.762.7173.3-170.900112.2L107 R112 T131 Q133E103-L107 HydrophobicContact CB-CD1 4.2Å; E103-R112 IonicContact OE1-CZ 3.64Å; E103-R112 IonicContact OE1-NE 3.52Å; E103-R112 PolarHBondContact OE1-NE 3.46Å; E103-R112 IonicContact OE1-NH2 3.96Å; E103-R112 PolarHBondContact OE1-NH2 3.47Å; E103-R112 WeakPolarHBondContact OE2-CG 3.47Å; E103-R112 IonicContact OE2-NE 3.1Å; E103-T131 PolarHBondContact N-O 3.05Å; E103-Q133 WeakPolarHBondContact O-CG 3.28Å; E103-Q133 PolarHBondContact O-N 3.28Å
104Y94.2Very high95.8Very high32 Ų3240.3 Ų40.313%0.12520%0.201CC..  trans-72.5149.8171.5-74.2-79.1000111.4L107 Q133 D150 M155 N157Y104-L107 WeakPolarHBondContact O-CG 3.46Å; Y104-Q133 HydrophobicContact CD1-CG 3.99Å; Y104-Q133 VanDerWaalsContact CD1-NE2 3.34Å; Y104-Q133 HydrophobicContact CE1-CG 4.28Å; Y104-Q133 HydrophobicContact CG-CG 4.44Å; Y104-D150 WeakPolarHBondContact CE1-OD2 3.12Å; Y104-D150 PolarHBondContact OH-OD2 3.22Å; Y104-D150 VanDerWaalsContact OH-OD2 3.04Å; Y104-M155 HydrophobicContact CD1-SD 4.07Å; Y104-M155 HydrophobicContact CD2-SD 4.29Å; Y104-M155 HydrophobicContact CE1-CG 4.42Å; Y104-M155 HydrophobicContact CE1-SD 3.77Å; Y104-M155 HydrophobicContact CE2-SD 4.01Å; Y104-M155 HydrophobicContact CG-SD 4.33Å; Y104-N157 WeakPolarHBondContact CD1-ND2 3.33Å; Y104-N157 HydrophobicContact CE1-CB 4.41Å; Y104-N157 WeakPolarHBondContact CE1-ND2 3.2Å
105P91.6Very high95.9Very high6 Ų640.2 Ų40.24%0.03920%0.2CC..THydrogen-bonded Turntrans-65.1150.4174.323.3-27.7000110.6L107 D132 F166 L171 R173P105-L107 VanDerWaalsContact C-N 3.3Å; P105-L107 PolarHBondContact O-N 3.14Å; P105-D132 VanDerWaalsContact CB-OD2 3.23Å; P105-D132 WeakPolarHBondContact CB-OD2 3.33Å; P105-D132 WeakPolarHBondContact CD-OD2 3.49Å; P105-D132 WeakPolarHBondContact CG-OD2 3.24Å; P105-F166 HydrophobicContact CB-CD1 4.35Å; P105-F166 HydrophobicContact CB-CD2 4.15Å; P105-F166 HydrophobicContact CB-CE1 4.09Å; P105-F166 HydrophobicContact CB-CE2 3.86Å; P105-F166 HydrophobicContact CB-CG 4.39Å; P105-F166 HydrophobicContact CB-CZ 3.84Å; P105-L171 HydrophobicContact CB-CD2 4.24Å; P105-L171 HydrophobicContact CG-CD1 3.95Å; P105-L171 HydrophobicContact CG-CD2 3.87Å; P105-R173 PolarHBondContact O-NH2 2.96Å
106L91.2Very high95.9Very high112 Ų11235.8 Ų35.859%0.58618%0.179SC*.THydrogen-bonded Turntrans59.331173.8-48.1-177.4000115.1F166 L171L106-F166 HydrophobicContact CD2-CE2 4.08Å; L106-F166 HydrophobicContact CD2-CZ 3.93Å; L106-F166 HydrophobicContact CG-CE2 4.21Å; L106-F166 HydrophobicContact CG-CZ 4.38Å; L106-L171 HydrophobicContact CD1-CD2 3.75Å; L106-L171 HydrophobicContact CG-CD2 4.13Å
107L92.9Very high96Very high28 Ų2837.6 Ų37.615%0.14719%0.186CC..  trans-71157.8167.6-68.9-179000111.6G70 I71 E103 Y104 P105G70-L107 VanDerWaalsContact O-CD1 3.31Å; G70-L107 WeakPolarHBondContact O-CD1 3.41Å; I71-L107 HydrophobicContact CG1-CD2 3.86Å; E103-L107 HydrophobicContact CB-CD1 4.2Å; Y104-L107 WeakPolarHBondContact O-CG 3.46Å; P105-L107 VanDerWaalsContact C-N 3.3Å; P105-L107 PolarHBondContact O-N 3.14Å
108P94.4Very high96.1Very high62 Ų6237.8 Ų37.840%0.40319%0.187SC..  trans-58.6139.8174.9-23.434.1000112.1I71 S110 N111I71-P108 HydrophobicContact CD1-CG 4.24Å; P108-S110 PolarHBondContact O-N 2.9Å; P108-S110 VanDerWaalsContact O-N 3.16Å; P108-N111 WeakPolarHBondContact O-CB 3.1Å; P108-N111 PolarHBondContact O-N 2.9Å
109K94.5Very high96.1Very high143 Ų14337.6 Ų37.662%0.62219%0.186SC*.Hα-helixtrans-52.1-38.7177.5-77.4-169.9177-170.90113.5N111 R112 E113 H370K109-N111 PolarHBondContact O-N 3.26Å; K109-N111 VanDerWaalsContact O-N 3.13Å; K109-R112 PolarHBondContact O-N 3.15Å; K109-R112 VanDerWaalsContact O-N 3.13Å; K109-E113 PolarHBondContact O-N 3.25Å; K109-H370 VanDerWaalsContact CB-CE1 3.42Å; K109-H370 WeakPolarHBondContact CB-CE1 3.43Å
110S95.2Very high96.1Very high57 Ų5737.7 Ų37.740%0.39919%0.186SC..Hα-helixtrans-61.3-21.1178.358.20000113.8P108 K114P108-S110 PolarHBondContact O-N 2.9Å; P108-S110 VanDerWaalsContact O-N 3.16Å; S110-K114 VanDerWaalsContact O-CG 3.3Å; S110-K114 WeakPolarHBondContact O-CG 3.24Å; S110-K114 PolarHBondContact O-N 3.27Å; S110-K114 VanDerWaalsContact O-N 3.12Å
111N96Very high96.1Very high7 Ų742.9 Ų42.94%0.03721%0.211CC..Hα-helixtrans-66.6-46.5174.9-166.476.3000111.3V72 P108 K109 L115V72-N111 PolarHBondContact N-OD1 3.19Å; P108-N111 WeakPolarHBondContact O-CB 3.1Å; P108-N111 PolarHBondContact O-N 2.9Å; K109-N111 PolarHBondContact O-N 3.26Å; K109-N111 VanDerWaalsContact O-N 3.13Å; N111-L115 WeakPolarHBondContact O-CG 3.43Å; N111-L115 PolarHBondContact O-N 2.96Å
112R96.6Very high96.1Very high52 Ų5247.9 Ų47.920%0.19623%0.232CC..Hα-helixtrans-64.2-41.7175.1-74.1-173.4176.3-167.5-3.8111.7E103 K109 L115 A116 F130 V369 R372E103-R112 IonicContact OE1-CZ 3.64Å; E103-R112 IonicContact OE1-NE 3.52Å; E103-R112 PolarHBondContact OE1-NE 3.46Å; E103-R112 IonicContact OE1-NH2 3.96Å; E103-R112 PolarHBondContact OE1-NH2 3.47Å; E103-R112 WeakPolarHBondContact OE2-CG 3.47Å; E103-R112 IonicContact OE2-NE 3.1Å; K109-R112 PolarHBondContact O-N 3.15Å; K109-R112 VanDerWaalsContact O-N 3.13Å; R112-L115 PolarHBondContact O-N 2.85Å; R112-A116 WeakPolarHBondContact O-CB 3.5Å; R112-A116 PolarHBondContact O-N 2.93Å; R112-F130 HydrophobicContact CB-CD2 4.31Å; R112-F130 HydrophobicContact CB-CE2 3.93Å; R112-F130 HydrophobicContact CB-CZ 4.15Å; R112-F130 HydrophobicContact CG-CD1 4.31Å; R112-F130 HydrophobicContact CG-CD2 3.97Å; R112-F130 HydrophobicContact CG-CE1 4.4Å; R112-F130 HydrophobicContact CG-CE2 4.05Å; R112-F130 HydrophobicContact CG-CG 4.11Å; R112-F130 HydrophobicContact CG-CZ 4.27Å; R112-V369 HydrophobicContact CB-CB 4.11Å; R112-V369 HydrophobicContact CB-CG2 3.6Å; R112-V369 PolarHBondContact NH1-O 3.19Å; R112-R372 PolarHBondContact NH1-OXT 2.89Å
113E97.3Very high96.2Very high57 Ų5748.1 Ų48.127%0.26623%0.232SC..Hα-helixtrans-60.2-48.7-179.3-66.1170.4173.100111.6K109 L115 A116 E117 T366 V369 H370K109-E113 PolarHBondContact O-N 3.25Å; E113-L115 VanDerWaalsContact C-N 3.35Å; E113-L115 PolarHBondContact O-N 2.89Å; E113-A116 PolarHBondContact O-N 3.35Å; E113-E117 PolarHBondContact O-N 2.78Å; E113-T366 HydrophobicContact CB-CG2 4.3Å; E113-V369 HydrophobicContact CG-CG2 4.2Å; E113-H370 IonicContact OE1-CD2 3.81Å; E113-H370 IonicContact OE1-CE1 3.69Å; E113-H370 IonicContact OE1-NE2 2.77Å; E113-H370 PolarHBondContact OE1-NE2 2.95Å
114K97.2Very high96.3Very high95 Ų9551 Ų5141%0.41325%0.245SC..Hα-helixtrans-61.2-41.4176.4-71.8174.6-178.9-176.20112.7I75 S110 M118I75-K114 HydrophobicContact CD1-CB 4.28Å; I75-K114 HydrophobicContact CG1-CB 4.41Å; S110-K114 VanDerWaalsContact O-CG 3.3Å; S110-K114 WeakPolarHBondContact O-CG 3.24Å; S110-K114 PolarHBondContact O-N 3.27Å; S110-K114 VanDerWaalsContact O-N 3.12Å; K114-M118 WeakPolarHBondContact O-CB 2.97Å; K114-M118 PolarHBondContact O-N 3Å; K114-M118 VanDerWaalsContact O-N 3.09Å
115L97.7Very high96.5Very high4 Ų449.4 Ų49.42%0.02124%0.239CC..Hα-helixtrans-67.5-39.2177.9-76.1172.7000111.4V72 I75 L78 N111 R112 E113 M118 V119 F130V72-L115 HydrophobicContact CG2-CD1 4.28Å; V72-L115 HydrophobicContact CG2-CD2 4.08Å; V72-L115 HydrophobicContact CG2-CG 4.22Å; I75-L115 HydrophobicContact CD1-CD2 4.42Å; L78-L115 HydrophobicContact CD2-CD2 3.61Å; N111-L115 WeakPolarHBondContact O-CG 3.43Å; N111-L115 PolarHBondContact O-N 2.96Å; R112-L115 PolarHBondContact O-N 2.85Å; E113-L115 VanDerWaalsContact C-N 3.35Å; E113-L115 PolarHBondContact O-N 2.89Å; L115-M118 HydrophobicContact CD2-CE 3.78Å; L115-M118 PolarHBondContact O-N 2.8Å; L115-V119 WeakPolarHBondContact O-CB 3.26Å; L115-V119 WeakPolarHBondContact O-CG2 3.43Å; L115-V119 PolarHBondContact O-N 2.81Å; L115-F130 HydrophobicContact CB-CE1 3.94Å; L115-F130 HydrophobicContact CB-CZ 3.7Å; L115-F130 HydrophobicContact CD1-CE1 3.84Å; L115-F130 HydrophobicContact CD1-CZ 4.42Å
116A98Very high96.7Very high0 Ų051.3 Ų51.30%025%0.251CS..Hα-helixtrans-67-42.6177.400000112.8R112 E113 M118 V119 F120 L128 Y361 V369R112-A116 WeakPolarHBondContact O-CB 3.5Å; R112-A116 PolarHBondContact O-N 2.93Å; E113-A116 PolarHBondContact O-N 3.35Å; A116-M118 VanDerWaalsContact C-N 3.34Å; A116-M118 PolarHBondContact O-N 2.89Å; A116-V119 PolarHBondContact O-N 2.85Å; A116-F120 HydrophobicContact CB-CD2 4.33Å; A116-F120 HydrophobicContact CB-CE2 4.5Å; A116-F120 VanDerWaalsContact O-CD2 3.29Å; A116-F120 WeakPolarHBondContact O-CD2 3.44Å; A116-F120 PolarHBondContact O-N 2.92Å; A116-L128 HydrophobicContact CB-CD2 3.57Å; A116-Y361 HydrophobicContact CB-CE2 4.31Å; A116-V369 HydrophobicContact CB-CG1 3.44Å; A116-V369 VanDerWaalsContact CB-CG1 3.44Å
117E97.9Very high97Very high97 Ų9746 Ų4645%0.45322%0.224SC..Hα-helixtrans-56.3-48.8171.7-170.8-177.6109.400111E113 V119 F120 E121 Y361 T366E113-E117 PolarHBondContact O-N 2.78Å; E117-V119 VanDerWaalsContact C-N 3.35Å; E117-V119 PolarHBondContact O-N 2.87Å; E117-F120 PolarHBondContact O-N 3.23Å; E117-E121 HydrophobicContact CG-CB 4.47Å; E117-E121 HydrophobicContact CG-CG 4.13Å; E117-E121 WeakPolarHBondContact O-CA 3.41Å; E117-E121 VanDerWaalsContact O-CB 3.22Å; E117-E121 WeakPolarHBondContact O-CB 3.49Å; E117-E121 PolarHBondContact O-N 3.46Å; E117-Y361 WeakPolarHBondContact CA-OH 3.27Å; E117-T366 HydrophobicContact CB-CG2 4.35Å
118M98.3Very high97.2Very high7 Ų744.6 Ų44.63%0.03422%0.217CC..Iπ-helixtrans-58.3-44.4175.3-176-171.971.700112.3I75 L78 S79 W82 K114 L115 A116 K122 F123I75-M118 HydrophobicContact CD1-CB 4.1Å; I75-M118 HydrophobicContact CD1-CG 4.44Å; I75-M118 HydrophobicContact CD1-SD 3.78Å; L78-M118 HydrophobicContact CD2-CE 4.4Å; L78-M118 HydrophobicContact CG-SD 4.4Å; S79-M118 PolarHBondContact OG-SD 3.35Å; W82-M118 HydrophobicContact CD2-CE 3.53Å; W82-M118 HydrophobicContact CE3-CE 3.62Å; W82-M118 HydrophobicContact CG-CE 4.12Å; W82-M118 HydrophobicContact CH2-CE 4.05Å; W82-M118 HydrophobicContact CZ2-CE 3.93Å; W82-M118 HydrophobicContact CZ3-CE 3.89Å; K114-M118 WeakPolarHBondContact O-CB 2.97Å; K114-M118 PolarHBondContact O-N 3Å; K114-M118 VanDerWaalsContact O-N 3.09Å; L115-M118 HydrophobicContact CD2-CE 3.78Å; L115-M118 PolarHBondContact O-N 2.8Å; A116-M118 VanDerWaalsContact C-N 3.34Å; A116-M118 PolarHBondContact O-N 2.89Å; M118-K122 HydrophobicContact CG-CD 4.49Å; M118-K122 VanDerWaalsContact O-CB 3.28Å; M118-K122 WeakPolarHBondContact O-CB 3.25Å; M118-K122 PolarHBondContact O-N 2.87Å; M118-F123 HydrophobicContact CE-CE2 4.39Å; M118-F123 HydrophobicContact CG-CD2 3.87Å; M118-F123 HydrophobicContact CG-CE2 3.65Å; M118-F123 WeakPolarHBondContact O-CD2 3.27Å; M118-F123 PolarHBondContact O-N 3.34Å; M118-F123 HydrophobicContact SD-CE2 4.01Å
119V98.4Very high97.3Very high0 Ų043.1 Ų43.10%020%0.204CC..Iπ-helixtrans-65.7-48.2-178.3167.70000112W82 V99 I101 L115 A116 E117 F123 H124 M125 L128W82-V119 HydrophobicContact CH2-CG2 3.89Å; W82-V119 HydrophobicContact CZ3-CG2 3.76Å; V99-V119 HydrophobicContact CG1-CG1 3.68Å; V99-V119 HydrophobicContact CG1-CG2 4.04Å; I101-V119 HydrophobicContact CD1-CG2 3.93Å; L115-V119 WeakPolarHBondContact O-CB 3.26Å; L115-V119 WeakPolarHBondContact O-CG2 3.43Å; L115-V119 PolarHBondContact O-N 2.81Å; A116-V119 PolarHBondContact O-N 2.85Å; E117-V119 VanDerWaalsContact C-N 3.35Å; E117-V119 PolarHBondContact O-N 2.87Å; V119-F123 CarbonylContact O-C 3.32Å; V119-H124 PolarHBondContact O-N 3.18Å; V119-H124 VanDerWaalsContact O-N 3.13Å; V119-M125 HydrophobicContact CG1-CB 3.81Å; V119-M125 HydrophobicContact CG1-CG 4.14Å; V119-M125 HydrophobicContact CG1-SD 4.06Å; V119-M125 PolarHBondContact O-N 3.49Å; V119-L128 HydrophobicContact CB-CD2 4.33Å; V119-L128 HydrophobicContact CG1-CB 4.16Å; V119-L128 HydrophobicContact CG1-CD1 4.36Å; V119-L128 HydrophobicContact CG1-CD2 4.33Å; V119-L128 HydrophobicContact CG2-CD1 4.22Å
120F98.4Very high97.4Very high3 Ų336.9 Ų36.91%0.01318%0.177CC..Iπ-helixtrans-89-39.8-172.9-69.4-62.7000113.7A116 E117 H124 M125 L128 I356 K358 Y361A116-F120 HydrophobicContact CB-CD2 4.33Å; A116-F120 HydrophobicContact CB-CE2 4.5Å; A116-F120 VanDerWaalsContact O-CD2 3.29Å; A116-F120 WeakPolarHBondContact O-CD2 3.44Å; A116-F120 PolarHBondContact O-N 2.92Å; E117-F120 PolarHBondContact O-N 3.23Å; F120-H124 VanDerWaalsContact O-CA 3.26Å; F120-H124 WeakPolarHBondContact O-CA 3.25Å; F120-H124 PolarHBondContact O-N 3.37Å; F120-H124 PolarHBondContact O-ND1 3.04Å; F120-M125 VanDerWaalsContact CD1-O 3.22Å; F120-M125 WeakPolarHBondContact CD1-O 3.34Å; F120-L128 HydrophobicContact CD2-CD2 4.39Å; F120-L128 HydrophobicContact CE1-CB 4.36Å; F120-L128 HydrophobicContact CE2-CB 3.73Å; F120-L128 HydrophobicContact CE2-CD2 3.75Å; F120-L128 HydrophobicContact CE2-CG 4.42Å; F120-L128 HydrophobicContact CZ-CB 3.49Å; F120-L128 VanDerWaalsContact CZ-CB 3.49Å; F120-L128 HydrophobicContact CZ-CD2 4.38Å; F120-I356 HydrophobicContact CE2-CG2 4.25Å; F120-I356 HydrophobicContact CZ-CB 4.46Å; F120-I356 HydrophobicContact CZ-CG2 4.04Å; F120-K358 HydrophobicContact CD1-CB 3.89Å; F120-K358 HydrophobicContact CD1-CG 3.95Å; F120-K358 HydrophobicContact CE1-CB 3.93Å; F120-K358 HydrophobicContact CE1-CG 4.49Å; F120-Y361 HydrophobicContact CB-CD1 3.45Å; F120-Y361 VanDerWaalsContact CB-CD1 3.45Å; F120-Y361 HydrophobicContact CB-CE1 3.53Å; F120-Y361 HydrophobicContact CB-CG 3.97Å; F120-Y361 HydrophobicContact CD1-CG 4.5Å; F120-Y361 AromaticContact CD2-CD1 3.77Å; F120-Y361 HydrophobicContact CD2-CD1 3.77Å; F120-Y361 AromaticContact CD2-CD2 3.41Å; F120-Y361 HydrophobicContact CD2-CD2 3.41Å; F120-Y361 VanDerWaalsContact CD2-CD2 3.41Å; F120-Y361 HydrophobicContact CD2-CE1 4.25Å; F120-Y361 AromaticContact CD2-CE2 3.92Å; F120-Y361 HydrophobicContact CD2-CE2 3.92Å; F120-Y361 AromaticContact CD2-CG 3.31Å; F120-Y361 HydrophobicContact CD2-CG 3.31Å; F120-Y361 AromaticContact CE2-CD2 3.88Å; F120-Y361 HydrophobicContact CE2-CD2 3.88Å; F120-Y361 AromaticContact CE2-CG 3.83Å; F120-Y361 HydrophobicContact CE2-CG 3.83Å; F120-Y361 AromaticContact CG-CD1 3.7Å; F120-Y361 HydrophobicContact CG-CD1 3.7Å; F120-Y361 HydrophobicContact CG-CD2 4.21Å; F120-Y361 HydrophobicContact CG-CE1 4.19Å; F120-Y361 AromaticContact CG-CG 3.69Å; F120-Y361 HydrophobicContact CG-CG 3.69Å
121E98.3Very high97.4Very high109 Ų10935 Ų3551%0.50916%0.163SC..Iπ-helixtrans-88-37.3-176.5-56.8-169.2-17300112.5E117 H124 Y361E117-E121 HydrophobicContact CG-CB 4.47Å; E117-E121 HydrophobicContact CG-CG 4.13Å; E117-E121 WeakPolarHBondContact O-CA 3.41Å; E117-E121 VanDerWaalsContact O-CB 3.22Å; E117-E121 WeakPolarHBondContact O-CB 3.49Å; E117-E121 PolarHBondContact O-N 3.46Å; E121-H124 PolarHBondContact O-CE1 2.93Å; E121-H124 PolarHBondContact O-ND1 3.37Å; E121-Y361 HydrophobicContact CG-CE1 3.96Å; E121-Y361 WeakPolarHBondContact CG-OH 3.39Å; E121-Y361 PolarHBondContact OE1-OH 2.91Å
122K97.8Very high97.3Very high105 Ų10535.7 Ų35.746%0.45717%0.166SC..Iπ-helixtrans-94.8-41.1-176.5-170.3173-170.4161.30113.6S79 M118S79-K122 PolarHBondContact OG-NZ 2.7Å; S79-K122 VanDerWaalsContact OG-NZ 3.16Å; M118-K122 HydrophobicContact CG-CD 4.49Å; M118-K122 VanDerWaalsContact O-CB 3.28Å; M118-K122 WeakPolarHBondContact O-CB 3.25Å; M118-K122 PolarHBondContact O-N 2.87Å
123F98.3Very high97.3Very high13 Ų1333.5 Ų33.56%0.05716%0.159CC..SBendtrans-101.3-3.8179.4-67.8-66.5000113.7W82 F86 P94 M118 V119 M125W82-F123 HydrophobicContact CB-CE1 4.3Å; W82-F123 HydrophobicContact CB-CE2 3.58Å; W82-F123 HydrophobicContact CB-CZ 3.39Å; W82-F123 HydrophobicContact CD2-CE2 4.25Å; W82-F123 AromaticContact CE3-CD2 3.77Å; W82-F123 HydrophobicContact CE3-CD2 3.77Å; W82-F123 AromaticContact CE3-CE2 3.74Å; W82-F123 HydrophobicContact CE3-CE2 3.74Å; W82-F123 HydrophobicContact CG-CE2 4.24Å; W82-F123 HydrophobicContact CG-CZ 4.48Å; W82-F123 HydrophobicContact CZ3-CD2 4.43Å; F86-F123 AromaticContact CD2-CD1 3.84Å; F86-F123 HydrophobicContact CD2-CD1 3.84Å; F86-F123 AromaticContact CD2-CE1 3.83Å; F86-F123 HydrophobicContact CD2-CE1 3.83Å; F86-F123 HydrophobicContact CD2-CZ 4.48Å; F86-F123 AromaticContact CE2-CD1 3.89Å; F86-F123 HydrophobicContact CE2-CD1 3.89Å; F86-F123 HydrophobicContact CE2-CD2 4.49Å; F86-F123 HydrophobicContact CE2-CE1 4.11Å; F86-F123 HydrophobicContact CE2-CG 4.1Å; P94-F123 HydrophobicContact CB-CB 4.13Å; P94-F123 HydrophobicContact CG-CB 4.23Å; P94-F123 HydrophobicContact CG-CD1 4.04Å; M118-F123 HydrophobicContact CE-CE2 4.39Å; M118-F123 HydrophobicContact CG-CD2 3.87Å; M118-F123 HydrophobicContact CG-CE2 3.65Å; M118-F123 WeakPolarHBondContact O-CD2 3.27Å; M118-F123 PolarHBondContact O-N 3.34Å; M118-F123 HydrophobicContact SD-CE2 4.01Å; V119-F123 CarbonylContact O-C 3.32Å; F123-M125 HydrophobicContact CB-CG 3.79Å; F123-M125 HydrophobicContact CB-SD 4.23Å; F123-M125 PolarHBondContact O-N 2.9Å
124H98Very high97.2Very high81 Ų8130.8 Ų30.838%0.37515%0.146SC..  trans53.627174-61.8-44.6000114.9E95 V119 F120 E121E95-H124 HydrophobicContact CG-CB 3.6Å; E95-H124 IonicContact OE1-CD2 3.18Å; E95-H124 IonicContact OE1-CG 3.49Å; V119-H124 PolarHBondContact O-N 3.18Å; V119-H124 VanDerWaalsContact O-N 3.13Å; F120-H124 VanDerWaalsContact O-CA 3.26Å; F120-H124 WeakPolarHBondContact O-CA 3.25Å; F120-H124 PolarHBondContact O-N 3.37Å; F120-H124 PolarHBondContact O-ND1 3.04Å; E121-H124 PolarHBondContact O-CE1 2.93Å; E121-H124 PolarHBondContact O-ND1 3.37Å
125M97.9Very high97.1Very high0 Ų026.6 Ų26.60%013%0.129CC..  trans-67.7145.8-174.7-55-171.77400111.2W82 F86 P94 H97 V99 V119 F120 F123 G127W82-M125 HydrophobicContact CZ3-SD 4.15Å; F86-M125 HydrophobicContact CE1-CE 4.45Å; F86-M125 HydrophobicContact CE2-SD 4.5Å; F86-M125 HydrophobicContact CZ-CE 4.01Å; F86-M125 HydrophobicContact CZ-SD 4Å; P94-M125 HydrophobicContact CB-CE 4.23Å; P94-M125 HydrophobicContact CB-CG 3.91Å; P94-M125 HydrophobicContact CB-SD 4.19Å; P94-M125 WeakPolarHBondContact O-CG 3.33Å; H97-M125 HydrophobicContact CB-CE 4.43Å; H97-M125 WeakPolarHBondContact O-CE 3.43Å; V99-M125 HydrophobicContact CB-CE 3.61Å; V99-M125 HydrophobicContact CB-SD 4.01Å; V99-M125 HydrophobicContact CG1-CE 4.11Å; V99-M125 HydrophobicContact CG1-SD 3.9Å; V99-M125 HydrophobicContact CG2-CE 4.39Å; V119-M125 HydrophobicContact CG1-CB 3.81Å; V119-M125 HydrophobicContact CG1-CG 4.14Å; V119-M125 HydrophobicContact CG1-SD 4.06Å; V119-M125 PolarHBondContact O-N 3.49Å; F120-M125 VanDerWaalsContact CD1-O 3.22Å; F120-M125 WeakPolarHBondContact CD1-O 3.34Å; F123-M125 HydrophobicContact CB-CG 3.79Å; F123-M125 HydrophobicContact CB-SD 4.23Å; F123-M125 PolarHBondContact O-N 2.9Å; M125-G127 PolarHBondContact O-N 2.9Å
126P96.7Very high97.1Very high45 Ų4526.5 Ų26.529%0.29213%0.128SC..SBendtrans-75.5-20.1-173.727.3-36.6000114.2E95 H97 K358E95-P126 VanDerWaalsContact O-CD 3.27Å; E95-P126 WeakPolarHBondContact O-CD 3.5Å; H97-P126 VanDerWaalsContact O-CD 3.29Å; H97-P126 WeakPolarHBondContact O-CD 3.38Å; P126-K358 PolarHBondContact O-N 2.76Å
127G96.5Very high97Very high0 Ų026.5 Ų26.50%013%0.128CC..EExtended strand (participates in β ladder)trans-161.1156.3179.900000114.4P98 V99 M125 I356P98-G127 CarbonylContact C-O 3.44Å; P98-G127 VanDerWaalsContact CA-O 3.31Å; P98-G127 WeakPolarHBondContact CA-O 3.48Å; V99-G127 PolarHBondContact N-O 2.94Å; M125-G127 PolarHBondContact O-N 2.9Å; G127-I356 CarbonylContact C-O 3.08Å; G127-I356 WeakPolarHBondContact CA-O 3.5Å
128L97.8Very high97Very high0 Ų021.9 Ų21.90%011%0.107CC..EExtended strand (participates in β ladder)trans-139.8131.6-175.3173.258.4000111.3V99 I101 A116 V119 F120 F130 I356V99-L128 HydrophobicContact CG1-CD1 3.68Å; V99-L128 CarbonylContact O-C 3.51Å; V99-L128 WeakPolarHBondContact O-CA 3.41Å; I101-L128 HydrophobicContact CD1-CD1 3.61Å; I101-L128 HydrophobicContact CG1-CD1 3.93Å; A116-L128 HydrophobicContact CB-CD2 3.57Å; V119-L128 HydrophobicContact CB-CD2 4.33Å; V119-L128 HydrophobicContact CG1-CB 4.16Å; V119-L128 HydrophobicContact CG1-CD1 4.36Å; V119-L128 HydrophobicContact CG1-CD2 4.33Å; V119-L128 HydrophobicContact CG2-CD1 4.22Å; F120-L128 HydrophobicContact CD2-CD2 4.39Å; F120-L128 HydrophobicContact CE1-CB 4.36Å; F120-L128 HydrophobicContact CE2-CB 3.73Å; F120-L128 HydrophobicContact CE2-CD2 3.75Å; F120-L128 HydrophobicContact CE2-CG 4.42Å; F120-L128 HydrophobicContact CZ-CB 3.49Å; F120-L128 VanDerWaalsContact CZ-CB 3.49Å; F120-L128 HydrophobicContact CZ-CD2 4.38Å; L128-F130 HydrophobicContact CD1-CE1 4.39Å; L128-F130 HydrophobicContact CD1-CE2 4.14Å; L128-F130 HydrophobicContact CD1-CZ 4.05Å; L128-F130 HydrophobicContact CD2-CD2 4.38Å; L128-F130 HydrophobicContact CD2-CE2 3.54Å; L128-F130 HydrophobicContact CD2-CZ 3.83Å; L128-F130 HydrophobicContact CG-CD2 4.32Å; L128-F130 HydrophobicContact CG-CE2 3.91Å; L128-F130 HydrophobicContact CG-CZ 4.27Å; L128-I356 PolarHBondContact N-O 3.17Å; L128-I356 WeakPolarHBondContact O-CB 3.19Å; L128-I356 PolarHBondContact O-N 3.48Å
129F97.2Very high96.9Very high30 Ų3024 Ų2413%0.13212%0.115CC..EExtended strand (participates in β ladder)trans-130.7124.6170-170.8-111.5000111V99 L100 I101 T131 L345 F351 I354V99-F129 PolarHBondContact O-N 3.06Å; L100-F129 CarbonylContact C-O 3.55Å; L100-F129 WeakPolarHBondContact CA-O 3.26Å; L100-F129 HydrophobicContact CD1-CD1 4.09Å; L100-F129 HydrophobicContact CG-CD1 4.28Å; I101-F129 PolarHBondContact N-O 3.13Å; F129-T131 HydrophobicContact CD1-CG2 4.49Å; F129-T131 HydrophobicContact CE1-CG2 4.45Å; F129-L345 HydrophobicContact CE1-CD2 3.94Å; F129-F351 HydrophobicContact CB-CE2 3.81Å; F129-F351 HydrophobicContact CB-CZ 3.82Å; F129-F351 AromaticContact CD1-CE2 3.82Å; F129-F351 HydrophobicContact CD1-CE2 3.82Å; F129-F351 AromaticContact CG-CE2 3.97Å; F129-F351 HydrophobicContact CG-CE2 3.97Å; F129-F351 HydrophobicContact CG-CZ 4.47Å; F129-I354 HydrophobicContact CD2-CD1 4.42Å; F129-I354 HydrophobicContact CD2-CG1 4.21Å; F129-I354 WeakPolarHBondContact CD2-O 3.26Å; F129-I354 HydrophobicContact CE1-CD1 4.04Å; F129-I354 HydrophobicContact CE2-CB 4.16Å; F129-I354 HydrophobicContact CE2-CD1 3.95Å; F129-I354 HydrophobicContact CE2-CG1 4.05Å; F129-I354 HydrophobicContact CZ-CD1 3.74Å; F129-I354 HydrophobicContact CZ-CG1 4.36Å
130F96.6Very high96.8Very high12 Ų1224.5 Ų24.55%0.05312%0.119CC..EExtended strand (participates in β ladder)trans-93.3139.7169.2-68.9-73.8000109.9I101 R112 L115 L128 V369I101-F130 HydrophobicContact CB-CD1 3.9Å; I101-F130 HydrophobicContact CB-CE1 3.97Å; I101-F130 HydrophobicContact CD1-CE1 3.89Å; I101-F130 HydrophobicContact CD1-CZ 4.38Å; I101-F130 HydrophobicContact CG1-CE1 4.46Å; I101-F130 HydrophobicContact CG2-CD1 4.18Å; I101-F130 HydrophobicContact CG2-CE1 4.09Å; I101-F130 WeakPolarHBondContact O-CA 3.29Å; R112-F130 HydrophobicContact CB-CD2 4.31Å; R112-F130 HydrophobicContact CB-CE2 3.93Å; R112-F130 HydrophobicContact CB-CZ 4.15Å; R112-F130 HydrophobicContact CG-CD1 4.31Å; R112-F130 HydrophobicContact CG-CD2 3.97Å; R112-F130 HydrophobicContact CG-CE1 4.4Å; R112-F130 HydrophobicContact CG-CE2 4.05Å; R112-F130 HydrophobicContact CG-CG 4.11Å; R112-F130 HydrophobicContact CG-CZ 4.27Å; L115-F130 HydrophobicContact CB-CE1 3.94Å; L115-F130 HydrophobicContact CB-CZ 3.7Å; L115-F130 HydrophobicContact CD1-CE1 3.84Å; L115-F130 HydrophobicContact CD1-CZ 4.42Å; L128-F130 HydrophobicContact CD1-CE1 4.39Å; L128-F130 HydrophobicContact CD1-CE2 4.14Å; L128-F130 HydrophobicContact CD1-CZ 4.05Å; L128-F130 HydrophobicContact CD2-CD2 4.38Å; L128-F130 HydrophobicContact CD2-CE2 3.54Å; L128-F130 HydrophobicContact CD2-CZ 3.83Å; L128-F130 HydrophobicContact CG-CD2 4.32Å; L128-F130 HydrophobicContact CG-CE2 3.91Å; L128-F130 HydrophobicContact CG-CZ 4.27Å; F130-V369 HydrophobicContact CD2-CB 4.44Å; F130-V369 HydrophobicContact CE2-CB 4.19Å; F130-V369 HydrophobicContact CE2-CG1 3.98Å
131T95Very high96.7Very high17 Ų1726.3 Ų26.310%0.10413%0.126CC..EExtended strand (participates in β ladder)trans-145.8149.5176.7-176.50000111.9L100 I101 S102 E103 F129 Q133 L136 L345L100-T131 HydrophobicContact CD1-CG2 4.08Å; L100-T131 HydrophobicContact CD2-CG2 3.63Å; L100-T131 HydrophobicContact CG-CG2 3.92Å; I101-T131 PolarHBondContact O-N 2.86Å; S102-T131 WeakPolarHBondContact CA-O 3.23Å; E103-T131 PolarHBondContact N-O 3.05Å; F129-T131 HydrophobicContact CD1-CG2 4.49Å; F129-T131 HydrophobicContact CE1-CG2 4.45Å; T131-Q133 PolarHBondContact O-N 3.44Å; T131-L136 HydrophobicContact CG2-CD1 3.52Å; T131-L136 HydrophobicContact CG2-CD2 3.8Å; T131-L136 HydrophobicContact CG2-CG 3.75Å; T131-L345 HydrophobicContact CG2-CD2 4.5Å
132D93.6Very high96.6Very high22 Ų2224.5 Ų24.512%0.11814%0.136CC..EExtended strand (participates in β ladder)trans-67.1128.4178.8176.7-94.3000111.6P105 S134 A135 L136P105-D132 VanDerWaalsContact CB-OD2 3.23Å; P105-D132 WeakPolarHBondContact CB-OD2 3.33Å; P105-D132 WeakPolarHBondContact CD-OD2 3.49Å; P105-D132 WeakPolarHBondContact CG-OD2 3.24Å; D132-S134 VanDerWaalsContact C-N 3.26Å; D132-S134 PolarHBondContact O-N 3Å; D132-S134 WeakPolarHBondContact OD1-CA 3.48Å; D132-S134 WeakPolarHBondContact OD1-CB 3.49Å; D132-S134 PolarHBondContact OD1-N 3.18Å; D132-A135 HydrophobicContact CB-CB 4.35Å; D132-A135 PolarHBondContact O-N 3.22Å; D132-A135 PolarHBondContact OD1-N 3.37Å; D132-L136 WeakPolarHBondContact O-CG 3.37Å; D132-L136 PolarHBondContact O-N 2.85Å; D132-L136 VanDerWaalsContact O-N 3.17Å
133Q95.2Very high96.6Very high7 Ų721 Ų213%0.03312%0.122CC..Hα-helixtrans-65.4-26.8-17963.1155.953.600113.6E103 Y104 T131 A137 D150 V338E103-Q133 WeakPolarHBondContact O-CG 3.28Å; E103-Q133 PolarHBondContact O-N 3.28Å; Y104-Q133 HydrophobicContact CD1-CG 3.99Å; Y104-Q133 VanDerWaalsContact CD1-NE2 3.34Å; Y104-Q133 HydrophobicContact CE1-CG 4.28Å; Y104-Q133 HydrophobicContact CG-CG 4.44Å; T131-Q133 PolarHBondContact O-N 3.44Å; Q133-A137 WeakPolarHBondContact O-CB 3.45Å; Q133-A137 PolarHBondContact O-N 2.94Å; Q133-D150 VanDerWaalsContact NE2-CG 3.32Å; Q133-D150 PolarHBondContact NE2-OD2 3.17Å; Q133-V338 HydrophobicContact CB-CB 4.47Å; Q133-V338 HydrophobicContact CB-CG1 3.63Å; Q133-V338 HydrophobicContact CB-CG2 3.96Å
134S95.8Very high96.5Very high0 Ų023.9 Ų23.90%014%0.141CC..Hα-helixtrans-73.9-41.9179.1-58.40000110.6D132 L136 A137 L138 V148 T159D132-S134 VanDerWaalsContact C-N 3.26Å; D132-S134 PolarHBondContact O-N 3Å; D132-S134 WeakPolarHBondContact OD1-CA 3.48Å; D132-S134 WeakPolarHBondContact OD1-CB 3.49Å; D132-S134 PolarHBondContact OD1-N 3.18Å; S134-L136 VanDerWaalsContact C-N 3.33Å; S134-L136 PolarHBondContact O-N 2.8Å; S134-A137 PolarHBondContact O-N 2.84Å; S134-L138 PolarHBondContact O-N 3.17Å; S134-L138 VanDerWaalsContact O-N 3.12Å; S134-V148 WeakPolarHBondContact O-CG2 3.35Å; S134-T159 WeakPolarHBondContact OG-CB 3.48Å; S134-T159 PolarHBondContact OG-OG1 3.44Å
135A95Very high96.5Very high7 Ų720.7 Ų20.76%0.05813%0.128CC..Hα-helixtrans-57.8-46.6170.500000111.3D132 A137 L138 Y139D132-A135 HydrophobicContact CB-CB 4.35Å; D132-A135 PolarHBondContact O-N 3.22Å; D132-A135 PolarHBondContact OD1-N 3.37Å; A135-A137 PolarHBondContact O-N 2.97Å; A135-L138 PolarHBondContact O-N 2.75Å; A135-Y139 WeakPolarHBondContact O-CD1 3.03Å; A135-Y139 PolarHBondContact O-N 2.98Å; A135-Y139 VanDerWaalsContact O-N 3.12Å
136L97.3Very high96.5Very high1 Ų120.7 Ų20.71%0.00513%0.128CC..Hα-helixtrans-61-43.4175.9-65.6-170.9000112.7L100 T131 D132 S134 L138 Y139 A140 V338 G341 L345L100-L136 HydrophobicContact CD2-CD1 4.15Å; T131-L136 HydrophobicContact CG2-CD1 3.52Å; T131-L136 HydrophobicContact CG2-CD2 3.8Å; T131-L136 HydrophobicContact CG2-CG 3.75Å; D132-L136 WeakPolarHBondContact O-CG 3.37Å; D132-L136 PolarHBondContact O-N 2.85Å; D132-L136 VanDerWaalsContact O-N 3.17Å; S134-L136 VanDerWaalsContact C-N 3.33Å; S134-L136 PolarHBondContact O-N 2.8Å; L136-L138 PolarHBondContact O-N 3.31Å; L136-Y139 HydrophobicContact CD2-CD2 3.93Å; L136-Y139 HydrophobicContact CD2-CE2 4.23Å; L136-Y139 WeakPolarHBondContact O-CB 2.96Å; L136-Y139 PolarHBondContact O-N 2.86Å; L136-Y139 VanDerWaalsContact O-N 3.11Å; L136-A140 PolarHBondContact O-N 3.2Å; L136-A140 VanDerWaalsContact O-N 3.13Å; L136-V338 HydrophobicContact CB-CG1 4.25Å; L136-V338 WeakPolarHBondContact CB-O 3.42Å; L136-V338 HydrophobicContact CD1-CG1 3.98Å; L136-G341 VanDerWaalsContact O-CA 3.24Å; L136-G341 WeakPolarHBondContact O-CA 3.4Å; L136-L345 HydrophobicContact CD2-CB 4.26Å; L136-L345 HydrophobicContact CD2-CD2 3.84Å
137A97.5Very high96.6Very high0 Ų018.6 Ų18.60%011%0.114CC..Hα-helixtrans-56.8-40.6177.300000111.1Q133 S134 A135 A140 Y141 V148 V295 V338Q133-A137 WeakPolarHBondContact O-CB 3.45Å; Q133-A137 PolarHBondContact O-N 2.94Å; S134-A137 PolarHBondContact O-N 2.84Å; A135-A137 PolarHBondContact O-N 2.97Å; A137-A140 WeakPolarHBondContact O-CB 3.46Å; A137-A140 PolarHBondContact O-N 3.44Å; A137-Y141 WeakPolarHBondContact O-CD2 3.22Å; A137-V148 HydrophobicContact CB-CG1 3.86Å; A137-V148 HydrophobicContact CB-CG2 4.37Å; A137-V295 HydrophobicContact CB-CG1 4.47Å; A137-V338 HydrophobicContact CB-CG2 4.36Å
138L97.6Very high96.7Very high1 Ų118.6 Ų18.61%0.00511%0.114CC..Hα-helixtrans-65.7-41.5175.1-68.8177.6000113S134 A135 L136 A140 Y141 G142 L143 V148 V161 V295S134-L138 PolarHBondContact O-N 3.17Å; S134-L138 VanDerWaalsContact O-N 3.12Å; A135-L138 PolarHBondContact O-N 2.75Å; L136-L138 PolarHBondContact O-N 3.31Å; L138-A140 PolarHBondContact O-N 2.83Å; L138-Y141 CarbonylContact O-C 3.57Å; L138-Y141 WeakPolarHBondContact O-CA 3.12Å; L138-Y141 PolarHBondContact O-N 3.01Å; L138-G142 PolarHBondContact O-N 2.86Å; L138-L143 CarbonylContact C-O 3.34Å; L138-L143 VanDerWaalsContact C-O 3.23Å; L138-L143 HydrophobicContact CB-CB 4.24Å; L138-L143 WeakPolarHBondContact CB-O 3.36Å; L138-L143 HydrophobicContact CD2-CB 4.25Å; L138-L143 HydrophobicContact CD2-CD1 4.49Å; L138-L143 PolarHBondContact O-N 3.32Å; L138-V148 HydrophobicContact CD1-CG2 4.23Å; L138-V148 HydrophobicContact CD2-CG2 3.81Å; L138-V148 HydrophobicContact CG-CG2 3.63Å; L138-V161 HydrophobicContact CD1-CB 3.47Å; L138-V161 VanDerWaalsContact CD1-CB 3.47Å; L138-V161 HydrophobicContact CD1-CG1 3.73Å; L138-V161 HydrophobicContact CD1-CG2 3.86Å; L138-V295 HydrophobicContact CD2-CB 3.93Å; L138-V295 HydrophobicContact CD2-CG2 3.64Å
139Y96.8Very high96.7Very high52 Ų5218.6 Ų18.620%0.20411%0.114CC..Hα-helixtrans-58.5-35.5178-61.9-18.3000112.2A135 L136 Y141 G142 L143 T164 L345A135-Y139 WeakPolarHBondContact O-CD1 3.03Å; A135-Y139 PolarHBondContact O-N 2.98Å; A135-Y139 VanDerWaalsContact O-N 3.12Å; L136-Y139 HydrophobicContact CD2-CD2 3.93Å; L136-Y139 HydrophobicContact CD2-CE2 4.23Å; L136-Y139 WeakPolarHBondContact O-CB 2.96Å; L136-Y139 PolarHBondContact O-N 2.86Å; L136-Y139 VanDerWaalsContact O-N 3.11Å; Y139-Y141 PolarHBondContact O-N 3.45Å; Y139-Y141 VanDerWaalsContact O-N 3.13Å; Y139-G142 PolarHBondContact O-N 3.12Å; Y139-L143 PolarHBondContact N-O 3.38Å; Y139-T164 HydrophobicContact CE1-CG2 3.86Å; Y139-T164 WeakPolarHBondContact OH-CB 3.48Å; Y139-T164 WeakPolarHBondContact OH-CG2 3.46Å; Y139-L345 HydrophobicContact CD2-CB 4.42Å; Y139-L345 HydrophobicContact CE2-CD2 4.25Å
140A96.4Very high96.8Very high10 Ų1017.4 Ų17.48%0.08311%0.109CC..THydrogen-bonded Turntrans-61.7-2117600000113.7L136 A137 L138 K330 A337 I340L136-A140 PolarHBondContact O-N 3.2Å; L136-A140 VanDerWaalsContact O-N 3.13Å; A137-A140 WeakPolarHBondContact O-CB 3.46Å; A137-A140 PolarHBondContact O-N 3.44Å; L138-A140 PolarHBondContact O-N 2.83Å; A140-K330 WeakPolarHBondContact O-CE 3.02Å; A140-K330 PolarHBondContact O-NZ 3.48Å; A140-A337 HydrophobicContact CB-CB 4.29Å; A140-A337 WeakPolarHBondContact CB-O 3.39Å; A140-I340 HydrophobicContact CB-CB 4.09Å; A140-I340 HydrophobicContact CB-CG2 4.04Å
141Y95.8Very high96.8Very high41 Ų4116.8 Ų16.816%0.16111%0.107CC..THydrogen-bonded Turntrans-104.87176.1-67.3-98.2000112.8A137 L138 Y139 L143 V295 L296 H328 K330 A337A137-Y141 WeakPolarHBondContact O-CD2 3.22Å; L138-Y141 CarbonylContact O-C 3.57Å; L138-Y141 WeakPolarHBondContact O-CA 3.12Å; L138-Y141 PolarHBondContact O-N 3.01Å; Y139-Y141 PolarHBondContact O-N 3.45Å; Y139-Y141 VanDerWaalsContact O-N 3.13Å; Y141-L143 VanDerWaalsContact C-N 3.28Å; Y141-L143 PolarHBondContact O-N 2.84Å; Y141-V295 HydrophobicContact CD2-CB 4.4Å; Y141-V295 HydrophobicContact CD2-CG1 3.47Å; Y141-V295 VanDerWaalsContact CD2-CG1 3.47Å; Y141-V295 HydrophobicContact CD2-CG2 4Å; Y141-V295 HydrophobicContact CE2-CB 4.46Å; Y141-V295 HydrophobicContact CE2-CG1 3.29Å; Y141-V295 HydrophobicContact CE2-CG2 4.47Å; Y141-V295 HydrophobicContact CG-CG1 4.28Å; Y141-V295 HydrophobicContact CG-CG2 4.03Å; Y141-L296 PolarHBondContact OH-O 3.26Å; Y141-H328 HydrophobicContact CD1-CB 3.69Å; Y141-H328 HydrophobicContact CE1-CB 3.85Å; Y141-H328 HydrophobicContact CG-CB 4.42Å; Y141-K330 HydrophobicContact CD1-CG 4.37Å; Y141-K330 HydrophobicContact CE1-CG 3.67Å; Y141-K330 HydrophobicContact CE2-CG 4.36Å; Y141-K330 PolarHBondContact OH-N 2.91Å; Y141-A337 HydrophobicContact CE2-CB 4.05Å
142G95.8Very high96.9Very high70 Ų7016.5 Ų16.572%0.72211%0.107SC*.THydrogen-bonded Turntrans70.524.5-17700000113.5L138 Y139L138-G142 PolarHBondContact O-N 2.86Å; Y139-G142 PolarHBondContact O-N 3.12Å
143L97.5Very high97.1Very high32 Ų3217.9 Ų17.917%0.16812%0.116CC..  trans-111.8150.4-178.8-62.1174.2000110.8L138 Y139 Y141 N293 V295L138-L143 CarbonylContact C-O 3.34Å; L138-L143 VanDerWaalsContact C-O 3.23Å; L138-L143 HydrophobicContact CB-CB 4.24Å; L138-L143 WeakPolarHBondContact CB-O 3.36Å; L138-L143 HydrophobicContact CD2-CB 4.25Å; L138-L143 HydrophobicContact CD2-CD1 4.49Å; L138-L143 PolarHBondContact O-N 3.32Å; Y139-L143 PolarHBondContact N-O 3.38Å; Y141-L143 VanDerWaalsContact C-N 3.28Å; Y141-L143 PolarHBondContact O-N 2.84Å; L143-N293 HydrophobicContact CD1-CB 4.21Å; L143-V295 HydrophobicContact CD1-CG2 3.81Å
144T96.3Very high97.1Very high73 Ų7319.4 Ų19.445%0.44812%0.123SC..SBendtrans-115-13.6171.6550000112.6N163 T164T144-N163 PolarHBondContact O-N 2.88Å; T144-T164 HydrophobicContact CG2-CG2 3.97Å; T144-T164 PolarHBondContact O-N 3.45Å
145S97.8Very high97.1Very high15 Ų1519.6 Ų19.611%0.10512%0.124CC..SBendtrans-137.2139.7-180-590000110.3V161 N163S145-V161 CarbonylContact C-O 3.53Å; S145-V161 VanDerWaalsContact CA-O 3.29Å; S145-V161 WeakPolarHBondContact CA-O 3.4Å; S145-N163 PolarHBondContact OG-N 3.2Å; S145-N163 PolarHBondContact OG-OD1 2.85Å
146G98.3Very high97.2Very high0 Ų019.2 Ų19.20%012%0.121CC..EExtended strand (participates in β ladder)trans160.1-177.3-178.300000112.4V161 L290 N293G146-V161 PolarHBondContact N-O 3.46Å; G146-V161 PolarHBondContact O-N 3.39Å; G146-L290 WeakPolarHBondContact O-CD2 3.46Å; G146-N293 CarbonylContact C-O 3.32Å; G146-N293 VanDerWaalsContact CA-O 3.22Å; G146-N293 WeakPolarHBondContact CA-O 3.44Å
147L98.7Very high97.2Very high0 Ų019.2 Ų19.20%012%0.121CC..EExtended strand (participates in β ladder)trans-106.8118.2173.8-172.185.4000109.4V149 I158 P160 I275 I279 L290 N293 I294 V295L147-V149 HydrophobicContact CD2-CG2 4.13Å; L147-I158 HydrophobicContact CD1-CG2 3.76Å; L147-I158 HydrophobicContact CD2-CG2 3.83Å; L147-I158 HydrophobicContact CG-CG2 3.92Å; L147-P160 HydrophobicContact CD1-CB 3.76Å; L147-P160 HydrophobicContact CD1-CG 4.3Å; L147-I275 HydrophobicContact CD2-CB 4.38Å; L147-I275 HydrophobicContact CD2-CG1 4.32Å; L147-I275 HydrophobicContact CD2-CG2 3.53Å; L147-I279 HydrophobicContact CD1-CG1 4.2Å; L147-I279 HydrophobicContact CD2-CD1 4.15Å; L147-I279 HydrophobicContact CD2-CG1 4.22Å; L147-L290 HydrophobicContact CB-CB 4.49Å; L147-L290 HydrophobicContact CB-CD2 4.34Å; L147-N293 PolarHBondContact N-O 3.43Å; L147-I294 HydrophobicContact CB-CG1 4.35Å; L147-I294 HydrophobicContact CD2-CG1 4.37Å; L147-I294 CarbonylContact O-C 3.55Å; L147-I294 WeakPolarHBondContact O-CA 3.46Å; L147-V295 PolarHBondContact O-N 3.42Å
148V98.5Very high97.3Very high0 Ų019.2 Ų19.20%012%0.121CC..EExtended strand (participates in β ladder)trans-88.8123.7174.6-176.90000109.6S134 A137 L138 D150 I158 T159S134-V148 WeakPolarHBondContact O-CG2 3.35Å; A137-V148 HydrophobicContact CB-CG1 3.86Å; A137-V148 HydrophobicContact CB-CG2 4.37Å; L138-V148 HydrophobicContact CD1-CG2 4.23Å; L138-V148 HydrophobicContact CD2-CG2 3.81Å; L138-V148 HydrophobicContact CG-CG2 3.63Å; V148-D150 HydrophobicContact CG1-CB 4.45Å; V148-I158 WeakPolarHBondContact O-CA 3.46Å; V148-T159 PolarHBondContact N-O 3.42Å; V148-T159 PolarHBondContact O-N 2.93Å
149V98.5Very high97.3Very high0 Ų019.1 Ų19.10%012%0.121CC..EExtended strand (participates in β ladder)trans-107.192.3171.8179.40000107.1L147 V151 I158 I275 I294 V295 L296 S297L147-V149 HydrophobicContact CD2-CG2 4.13Å; V149-V151 HydrophobicContact CG1-CG2 4.11Å; V149-I158 HydrophobicContact CB-CD1 4.23Å; V149-I158 HydrophobicContact CG1-CD1 3.82Å; V149-I158 HydrophobicContact CG2-CD1 4.15Å; V149-I275 HydrophobicContact CB-CD1 4.46Å; V149-I275 HydrophobicContact CG1-CD1 3.96Å; V149-I275 HydrophobicContact CG2-CD1 3.59Å; V149-I275 HydrophobicContact CG2-CG1 3.96Å; V149-I294 HydrophobicContact CG2-CG2 3.65Å; V149-V295 PolarHBondContact N-O 2.88Å; V149-L296 HydrophobicContact CB-CD2 3.95Å; V149-L296 HydrophobicContact CG1-CD2 4.2Å; V149-S297 PolarHBondContact O-N 3.42Å
150D97.9Very high97.4Very high5 Ų516.7 Ų16.73%0.02711%0.111CC..EExtended strand (participates in β ladder)trans-93.3118.3175.8-176.560.3000109.9Y104 Q133 V148 S156 N157 S297 G298Y104-D150 WeakPolarHBondContact CE1-OD2 3.12Å; Y104-D150 PolarHBondContact OH-OD2 3.22Å; Y104-D150 VanDerWaalsContact OH-OD2 3.04Å; Q133-D150 VanDerWaalsContact NE2-CG 3.32Å; Q133-D150 PolarHBondContact NE2-OD2 3.17Å; V148-D150 HydrophobicContact CG1-CB 4.45Å; D150-S156 CarbonylContact O-C 3.51Å; D150-S156 WeakPolarHBondContact O-CA 3.44Å; D150-N157 HydrophobicContact CB-CB 4.43Å; D150-N157 PolarHBondContact N-O 3.11Å; D150-N157 PolarHBondContact O-N 3.1Å; D150-S297 WeakPolarHBondContact CA-O 3.47Å; D150-S297 WeakPolarHBondContact OD1-CB 3.48Å; D150-S297 PolarHBondContact OD1-OG 3.46Å; D150-G298 PolarHBondContact OD1-N 2.84Å
151V98.2Very high97.5Very high0 Ų016.2 Ų16.20%011%0.107CC..EExtended strand (participates in β ladder)trans-120.994.1175.3-167.60000108.8V149 S156 L257 L271 S297 G298 G299 S300 T301 F306V149-V151 HydrophobicContact CG1-CG2 4.11Å; V151-S156 WeakPolarHBondContact CG1-OG 3.41Å; V151-L257 HydrophobicContact CG1-CD1 4.27Å; V151-L257 HydrophobicContact CG1-CD2 4.13Å; V151-L271 HydrophobicContact CG2-CD1 3.92Å; V151-L271 HydrophobicContact CG2-CD2 4.25Å; V151-S297 PolarHBondContact N-O 3.35Å; V151-G298 CarbonylContact O-C 3.56Å; V151-G299 PolarHBondContact O-N 2.8Å; V151-S300 VanDerWaalsContact CG1-CB 3.4Å; V151-S300 VanDerWaalsContact O-CB 3.27Å; V151-S300 WeakPolarHBondContact O-CB 3.37Å; V151-S300 PolarHBondContact O-N 2.78Å; V151-S300 PolarHBondContact O-OG 2.81Å; V151-T301 HydrophobicContact CB-CG2 3.84Å; V151-T301 HydrophobicContact CG2-CG2 3.8Å; V151-F306 HydrophobicContact CG2-CE2 4.27Å; V151-F306 HydrophobicContact CG2-CZ 3.94Å
152G97Very high97.6Very high10 Ų1016.9 Ų16.910%0.10311%0.114CC..  trans-87.3-157.8-176.300000113.8M155 G178 S300G152-M155 PolarHBondContact N-O 2.64Å; G152-G178 PolarHBondContact O-N 3.39Å; G152-S300 PolarHBondContact O-OG 2.9Å
153T96.7Very high97.6Very high52 Ų5218.6 Ų18.632%0.31911%0.106SC..SBendtrans-73.8-47177.4-58.80000111.5G16 G177 G178 S179G16-T153 WeakPolarHBondContact CA-OG1 3.28Å; G16-T153 PolarHBondContact N-OG1 2.96Å; T153-G177 CarbonylContact O-C 3.57Å; T153-G178 PolarHBondContact O-N 2.57Å; T153-S179 VanDerWaalsContact O-CB 3.24Å; T153-S179 WeakPolarHBondContact O-CB 3.42Å; T153-S179 PolarHBondContact O-N 3.2Å; T153-S179 PolarHBondContact O-OG 3.22Å
154E95.9Very high97.4Very high39 Ų3920 Ų2018%0.18212%0.116CC..SBendtrans-108.8-23.4-171.3-60.9-173.8153.900113A15 A68 N69 N175 L176 H180A15-E154 HydrophobicContact CB-CG 4.07Å; A68-E154 WeakPolarHBondContact CA-OE2 3.19Å; N69-E154 PolarHBondContact N-OE2 3.11Å; E154-N175 CarbonylContact O-C 3.56Å; E154-N175 VanDerWaalsContact O-C 3.32Å; E154-L176 PolarHBondContact O-N 2.76Å; E154-H180 PolarHBondContact O-CE1 3.22Å; E154-H180 VanDerWaalsContact O-CE1 3.3Å
155M95.6Very high97.3Very high3 Ų322.1 Ų22.12%0.01512%0.124CC..  trans-143.3163.1-173.367.8167.672.300113.2N69 Y104 G152 N157 R173 Q174 L176N69-M155 HydrophobicContact CB-CE 3.43Å; N69-M155 VanDerWaalsContact CB-CE 3.43Å; N69-M155 WeakPolarHBondContact O-CE 3.26Å; Y104-M155 HydrophobicContact CD1-SD 4.07Å; Y104-M155 HydrophobicContact CD2-SD 4.29Å; Y104-M155 HydrophobicContact CE1-CG 4.42Å; Y104-M155 HydrophobicContact CE1-SD 3.77Å; Y104-M155 HydrophobicContact CE2-SD 4.01Å; Y104-M155 HydrophobicContact CG-SD 4.33Å; G152-M155 PolarHBondContact N-O 2.64Å; M155-N157 WeakPolarHBondContact CG-ND2 3.39Å; M155-N157 PolarHBondContact SD-ND2 2.92Å; M155-R173 HydrophobicContact SD-CG 4.29Å; M155-Q174 CarbonylContact C-O 3.51Å; M155-Q174 WeakPolarHBondContact CA-O 3.18Å; M155-Q174 VanDerWaalsContact CB-O 3.25Å; M155-Q174 WeakPolarHBondContact CB-O 3.39Å; M155-L176 CarbonylContact C-O 3.6Å; M155-L176 WeakPolarHBondContact CA-O 3.41Å
156S97.5Very high97.2Very high0 Ų023.8 Ų23.80%013%0.129CC..EExtended strand (participates in β ladder)trans-118.4132.8168.8-57.30000109.1D150 V151 R173 Q174 L176D150-S156 CarbonylContact O-C 3.51Å; D150-S156 WeakPolarHBondContact O-CA 3.44Å; V151-S156 WeakPolarHBondContact CG1-OG 3.41Å; S156-R173 WeakPolarHBondContact O-CA 3.42Å; S156-Q174 PolarHBondContact N-O 3.18Å; S156-Q174 PolarHBondContact O-N 3.12Å; S156-L176 PolarHBondContact N-O 3.43Å; S156-L176 PolarHBondContact OG-O 2.81Å
157N97.5Very high97.2Very high0 Ų025.6 Ų25.60%014%0.138CC..EExtended strand (participates in β ladder)trans-123.5128.5174.1-65.1-96.3000109.7Y104 D150 M155 R172 R173Y104-N157 WeakPolarHBondContact CD1-ND2 3.33Å; Y104-N157 HydrophobicContact CE1-CB 4.41Å; Y104-N157 WeakPolarHBondContact CE1-ND2 3.2Å; D150-N157 HydrophobicContact CB-CB 4.43Å; D150-N157 PolarHBondContact N-O 3.11Å; D150-N157 PolarHBondContact O-N 3.1Å; M155-N157 WeakPolarHBondContact CG-ND2 3.39Å; M155-N157 PolarHBondContact SD-ND2 2.92Å; N157-R172 WeakPolarHBondContact CA-O 3.48Å; N157-R173 WeakPolarHBondContact OD1-CG 3.33Å; N157-R173 PolarHBondContact OD1-NE 3.5Å
158I98.5Very high97.1Very high0 Ų028.8 Ų28.80%016%0.159CC..EExtended strand (participates in β ladder)trans-109.8108.3172.1-46-53.2000107.4L147 V148 V149 L171 R172 L271 I274 I275L147-I158 HydrophobicContact CD1-CG2 3.76Å; L147-I158 HydrophobicContact CD2-CG2 3.83Å; L147-I158 HydrophobicContact CG-CG2 3.92Å; V148-I158 WeakPolarHBondContact O-CA 3.46Å; V149-I158 HydrophobicContact CB-CD1 4.23Å; V149-I158 HydrophobicContact CG1-CD1 3.82Å; V149-I158 HydrophobicContact CG2-CD1 4.15Å; I158-L171 WeakPolarHBondContact O-CA 3.37Å; I158-R172 HydrophobicContact CB-CB 4.19Å; I158-R172 HydrophobicContact CG1-CB 4.45Å; I158-R172 PolarHBondContact N-O 3.12Å; I158-R172 PolarHBondContact O-N 3.11Å; I158-L271 HydrophobicContact CD1-CD2 4.43Å; I158-I274 HydrophobicContact CD1-CD1 4.12Å; I158-I274 HydrophobicContact CD1-CG1 4.47Å; I158-I274 HydrophobicContact CG1-CD1 3.59Å; I158-I274 HydrophobicContact CG1-CG1 3.85Å; I158-I275 HydrophobicContact CD1-CD1 4.11Å; I158-I275 HydrophobicContact CD1-CG1 3.62Å; I158-I275 HydrophobicContact CG1-CG1 3.93Å; I158-I275 HydrophobicContact CG2-CG1 3.87Å
159T98.3Very high97Very high0 Ų035.4 Ų35.40%019%0.194CC..EExtended strand (participates in β ladder)trans-122.1106.4-172.3-49.70000110.1S134 V148 V161 F166 L171S134-T159 WeakPolarHBondContact OG-CB 3.48Å; S134-T159 PolarHBondContact OG-OG1 3.44Å; V148-T159 PolarHBondContact N-O 3.42Å; V148-T159 PolarHBondContact O-N 2.93Å; T159-V161 HydrophobicContact CG2-CG2 4.08Å; T159-F166 HydrophobicContact CG2-CB 3.6Å; T159-F166 HydrophobicContact CG2-CG 4.39Å; T159-L171 HydrophobicContact CG2-CD1 4.06Å; T159-L171 WeakPolarHBondContact OG1-CD1 3.42Å
160P98.5Very high97Very high0 Ų035.4 Ų35.40%019%0.194CC..EExtended strand (participates in β ladder)trans-75.1131.2169.225.4-25000109.5L147 F166 I167 A170 S278 L290L147-P160 HydrophobicContact CD1-CB 3.76Å; L147-P160 HydrophobicContact CD1-CG 4.3Å; P160-F166 CarbonylContact O-C 3.45Å; P160-F166 WeakPolarHBondContact O-CA 2.94Å; P160-I167 HydrophobicContact CB-CD1 4.33Å; P160-I167 HydrophobicContact CG-CB 4.18Å; P160-I167 PolarHBondContact O-N 3.23Å; P160-A170 HydrophobicContact CG-CB 3.48Å; P160-A170 VanDerWaalsContact CG-CB 3.48Å; P160-S278 WeakPolarHBondContact CD-OG 3.29Å; P160-L290 HydrophobicContact CB-CD1 4.1Å; P160-L290 HydrophobicContact CB-CD2 3.91Å
161V98.2Very high97Very high1 Ų136.1 Ų36.11%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-126.8132.4-179.6-176.40000108.6L138 S145 G146 T159 I165 F166L138-V161 HydrophobicContact CD1-CB 3.47Å; L138-V161 VanDerWaalsContact CD1-CB 3.47Å; L138-V161 HydrophobicContact CD1-CG1 3.73Å; L138-V161 HydrophobicContact CD1-CG2 3.86Å; S145-V161 CarbonylContact C-O 3.53Å; S145-V161 VanDerWaalsContact CA-O 3.29Å; S145-V161 WeakPolarHBondContact CA-O 3.4Å; G146-V161 PolarHBondContact N-O 3.46Å; G146-V161 PolarHBondContact O-N 3.39Å; T159-V161 HydrophobicContact CG2-CG2 4.08Å; V161-I165 WeakPolarHBondContact CA-O 3.42Å; V161-F166 HydrophobicContact CG2-CB 4.2Å
162N97.6Very high97Very high55 Ų5538.3 Ų38.329%0.29421%0.206SC..EExtended strand (participates in β ladder)trans-127.2123.4174.8-177.635.2000108.9T164 I165 I167 L286N162-T164 VanDerWaalsContact C-N 3.31Å; N162-T164 PolarHBondContact O-N 3.34Å; N162-I165 PolarHBondContact N-O 2.68Å; N162-I165 PolarHBondContact O-N 3.44Å; N162-I167 HydrophobicContact CB-CD1 4.43Å; N162-L286 HydrophobicContact CB-CD1 4.36Å; N162-L286 HydrophobicContact CB-CD2 4.39Å
163N96Very high96.9Very high105 Ų10541.8 Ų41.856%0.56122%0.216SC*.THydrogen-bonded Turntrans47.354.9-179-62.4-28.4000111.4T144 S145 I165T144-N163 PolarHBondContact O-N 2.88Å; S145-N163 PolarHBondContact OG-N 3.2Å; S145-N163 PolarHBondContact OG-OD1 2.85Å; N163-I165 PolarHBondContact O-N 2.72Å; N163-I165 VanDerWaalsContact O-N 3.08Å
164T93.6Very high96.8Very high61 Ų6140.6 Ų40.637%0.37421%0.207SC..THydrogen-bonded Turntrans66.1-1.5-179.478.60000116.5Y139 T144 N162Y139-T164 HydrophobicContact CE1-CG2 3.86Å; Y139-T164 WeakPolarHBondContact OH-CB 3.48Å; Y139-T164 WeakPolarHBondContact OH-CG2 3.46Å; T144-T164 HydrophobicContact CG2-CG2 3.97Å; T144-T164 PolarHBondContact O-N 3.45Å; N162-T164 VanDerWaalsContact C-N 3.31Å; N162-T164 PolarHBondContact O-N 3.34Å
165I94.6Very high96.8Very high119 Ų11943.3 Ų43.361%0.6122%0.223SC*.EExtended strand (participates in β ladder)trans-105.1123.5-179.8-59.8172.3000108.9V161 N162 N163V161-I165 WeakPolarHBondContact CA-O 3.42Å; N162-I165 PolarHBondContact N-O 2.68Å; N162-I165 PolarHBondContact O-N 3.44Å; N163-I165 PolarHBondContact O-N 2.72Å; N163-I165 VanDerWaalsContact O-N 3.08Å
166F96.4Very high96.8Very high49 Ų4943.3 Ų43.322%0.21522%0.223CC..EExtended strand (participates in β ladder)trans-72.3150.6173.877-88.1000111.1P105 L106 T159 P160 V161 P168P105-F166 HydrophobicContact CB-CD1 4.35Å; P105-F166 HydrophobicContact CB-CD2 4.15Å; P105-F166 HydrophobicContact CB-CE1 4.09Å; P105-F166 HydrophobicContact CB-CE2 3.86Å; P105-F166 HydrophobicContact CB-CG 4.39Å; P105-F166 HydrophobicContact CB-CZ 3.84Å; L106-F166 HydrophobicContact CD2-CE2 4.08Å; L106-F166 HydrophobicContact CD2-CZ 3.93Å; L106-F166 HydrophobicContact CG-CE2 4.21Å; L106-F166 HydrophobicContact CG-CZ 4.38Å; T159-F166 HydrophobicContact CG2-CB 3.6Å; T159-F166 HydrophobicContact CG2-CG 4.39Å; P160-F166 CarbonylContact O-C 3.45Å; P160-F166 WeakPolarHBondContact O-CA 2.94Å; V161-F166 HydrophobicContact CG2-CB 4.2Å; F166-P168 HydrophobicContact CD2-CB 4.45Å; F166-P168 HydrophobicContact CD2-CG 4.11Å; F166-P168 HydrophobicContact CE2-CB 3.86Å; F166-P168 HydrophobicContact CE2-CG 3.61Å; F166-P168 HydrophobicContact CZ-CG 4.22Å; F166-P168 VanDerWaalsContact O-CD 3.28Å; F166-P168 WeakPolarHBondContact O-CD 3.3Å
167I97.4Very high96.8Very high39 Ų3943.3 Ų43.320%0.222%0.223CC..  trans-97.9102.8-179.1-54.1173.8000109P160 N162 N169 A170 L171 C282 L286P160-I167 HydrophobicContact CB-CD1 4.33Å; P160-I167 HydrophobicContact CG-CB 4.18Å; P160-I167 PolarHBondContact O-N 3.23Å; N162-I167 HydrophobicContact CB-CD1 4.43Å; I167-N169 PolarHBondContact O-N 2.81Å; I167-A170 HydrophobicContact CB-CB 4.22Å; I167-A170 HydrophobicContact CG2-CB 3.89Å; I167-A170 PolarHBondContact O-N 3.21Å; I167-A170 VanDerWaalsContact O-N 3.13Å; I167-L171 PolarHBondContact O-N 2.87Å; I167-C282 HydrophobicContact CD1-CB 4.39Å; I167-L286 HydrophobicContact CD1-CD1 3.64Å
168P96.4Very high96.8Very high66 Ų6643.4 Ų43.443%0.42922%0.224SC..G310 helixtrans-62.8-41.2-166.9-23.133.9000114.1F166 A170 L171F166-P168 HydrophobicContact CD2-CB 4.45Å; F166-P168 HydrophobicContact CD2-CG 4.11Å; F166-P168 HydrophobicContact CE2-CB 3.86Å; F166-P168 HydrophobicContact CE2-CG 3.61Å; F166-P168 HydrophobicContact CZ-CG 4.22Å; F166-P168 VanDerWaalsContact O-CD 3.28Å; F166-P168 WeakPolarHBondContact O-CD 3.3Å; P168-A170 PolarHBondContact O-N 3.44Å; P168-L171 WeakPolarHBondContact O-CB 3.45Å; P168-L171 PolarHBondContact O-N 3.08Å
169N97.2Very high96.8Very high140 Ų14044 Ų4475%0.74923%0.228SC*.G310 helixtrans-68.8-18-178.5-68-22.5000113.4I167 R172I167-N169 PolarHBondContact O-N 2.81Å; N169-R172 PolarHBondContact O-NH1 3.28Å
170A98.1Very high96.7Very high0 Ų047.3 Ų47.30%024%0.243CC..G310 helixtrans-102.8-8.6-179.300000113P160 I167 P168 R172 S278 K281 C282P160-A170 HydrophobicContact CG-CB 3.48Å; P160-A170 VanDerWaalsContact CG-CB 3.48Å; I167-A170 HydrophobicContact CB-CB 4.22Å; I167-A170 HydrophobicContact CG2-CB 3.89Å; I167-A170 PolarHBondContact O-N 3.21Å; I167-A170 VanDerWaalsContact O-N 3.13Å; P168-A170 PolarHBondContact O-N 3.44Å; A170-R172 PolarHBondContact O-N 3.07Å; A170-S278 WeakPolarHBondContact CB-O 3.24Å; A170-S278 WeakPolarHBondContact O-CB 3.46Å; A170-S278 PolarHBondContact O-OG 3.41Å; A170-K281 HydrophobicContact CB-CB 3.75Å; A170-C282 WeakPolarHBondContact CB-SG 3.12Å
171L98.1Very high96.7Very high20 Ų2047.3 Ų47.311%0.10524%0.243CC..  trans-57.6134.9170.8176.168.9000110.2P105 L106 I158 T159 I167 P168P105-L171 HydrophobicContact CB-CD2 4.24Å; P105-L171 HydrophobicContact CG-CD1 3.95Å; P105-L171 HydrophobicContact CG-CD2 3.87Å; L106-L171 HydrophobicContact CD1-CD2 3.75Å; L106-L171 HydrophobicContact CG-CD2 4.13Å; I158-L171 WeakPolarHBondContact O-CA 3.37Å; T159-L171 HydrophobicContact CG2-CD1 4.06Å; T159-L171 WeakPolarHBondContact OG1-CD1 3.42Å; I167-L171 PolarHBondContact O-N 2.87Å; P168-L171 WeakPolarHBondContact O-CB 3.45Å; P168-L171 PolarHBondContact O-N 3.08Å
172R97.5Very high96.7Very high45 Ų4547.4 Ų47.417%0.1724%0.244CC..EExtended strand (participates in β ladder)trans-126.2118.5171.2-65.4-65.6178.8-88.78.5110.1N157 I158 N169 A170 I274 E277N157-R172 WeakPolarHBondContact CA-O 3.48Å; I158-R172 HydrophobicContact CB-CB 4.19Å; I158-R172 HydrophobicContact CG1-CB 4.45Å; I158-R172 PolarHBondContact N-O 3.12Å; I158-R172 PolarHBondContact O-N 3.11Å; N169-R172 PolarHBondContact O-NH1 3.28Å; A170-R172 PolarHBondContact O-N 3.07Å; R172-I274 HydrophobicContact CB-CB 4.41Å; R172-E277 IonicContact CZ-OE1 2.68Å; R172-E277 VanDerWaalsContact CZ-OE1 3.24Å; R172-E277 VanDerWaalsContact NE-CD 3.35Å; R172-E277 IonicContact NE-OE1 3.44Å; R172-E277 PolarHBondContact NE-OE1 3.37Å; R172-E277 IonicContact NE-OE2 2.72Å; R172-E277 IonicContact NH2-OE1 3.36Å; R172-E277 PolarHBondContact NH2-OE1 3.43Å
173R95.6Very high96.8Very high83 Ų8347 Ų4731%0.31324%0.241SC..EExtended strand (participates in β ladder)trans-110.5137.3173.7-179.8176-64.8161.910.7109.8P105 M155 S156 N157P105-R173 PolarHBondContact O-NH2 2.96Å; M155-R173 HydrophobicContact SD-CG 4.29Å; S156-R173 WeakPolarHBondContact O-CA 3.42Å; N157-R173 WeakPolarHBondContact OD1-CG 3.33Å; N157-R173 PolarHBondContact OD1-NE 3.5Å
174Q94.7Very high96.8Very high28 Ų2843.7 Ų43.713%0.13122%0.223CC..EExtended strand (participates in β ladder)trans-130.7137.1168.9-69.7-171.1-17.300110.2M155 S156 L176 T269 I274M155-Q174 CarbonylContact C-O 3.51Å; M155-Q174 WeakPolarHBondContact CA-O 3.18Å; M155-Q174 VanDerWaalsContact CB-O 3.25Å; M155-Q174 WeakPolarHBondContact CB-O 3.39Å; S156-Q174 PolarHBondContact N-O 3.18Å; S156-Q174 PolarHBondContact O-N 3.12Å; Q174-L176 HydrophobicContact CB-CB 4.39Å; Q174-L176 PolarHBondContact O-N 2.9Å; Q174-T269 PolarHBondContact NE2-O 2.95Å; Q174-T269 PolarHBondContact OE1-O 3.49Å; Q174-T269 VanDerWaalsContact OE1-O 3.08Å; Q174-I274 HydrophobicContact CG-CD1 4.09Å
175N94.7Very high97.1Very high95 Ų9540.8 Ų40.851%0.50821%0.205SC..SBendtrans-79.959.5170.8-63-11.7000109.7E154 H180E154-N175 CarbonylContact O-C 3.56Å; E154-N175 VanDerWaalsContact O-C 3.32Å; N175-H180 PolarHBondContact O-CE1 2.86Å; N175-H180 PolarHBondContact O-NE2 3.44Å
176L96.9Very high97.2Very high3 Ų337.6 Ų37.62%0.01619%0.185CC..  trans-135.7130.1175.9-174.271.6000107.7E154 M155 S156 Q174 H180 L256 L257 P260 L265 T268E154-L176 PolarHBondContact O-N 2.76Å; M155-L176 CarbonylContact C-O 3.6Å; M155-L176 WeakPolarHBondContact CA-O 3.41Å; S156-L176 PolarHBondContact N-O 3.43Å; S156-L176 PolarHBondContact OG-O 2.81Å; Q174-L176 HydrophobicContact CB-CB 4.39Å; Q174-L176 PolarHBondContact O-N 2.9Å; L176-H180 HydrophobicContact CD1-CB 3.77Å; L176-L256 HydrophobicContact CD1-CD2 3.96Å; L176-L256 HydrophobicContact CD1-CG 4.06Å; L176-L257 HydrophobicContact CD2-CD2 4.34Å; L176-L257 HydrophobicContact CG-CD2 4.3Å; L176-P260 HydrophobicContact CD2-CB 4.19Å; L176-L265 HydrophobicContact CD1-CD1 3.77Å; L176-T268 HydrophobicContact CB-CG2 4.44Å; L176-T268 HydrophobicContact CD2-CG2 3.96Å
177G97.2Very high97.2Very high0 Ų041.6 Ų41.60%020%0.2CC..SBendtrans-169.5-166.6-175.200000112.7T153 S179 H180 V181T153-G177 CarbonylContact O-C 3.57Å; G177-S179 PolarHBondContact O-N 3.48Å; G177-S179 VanDerWaalsContact O-N 3.13Å; G177-H180 PolarHBondContact N-ND1 3.33Å; G177-H180 WeakPolarHBondContact O-CB 3.49Å; G177-H180 PolarHBondContact O-N 3.02Å; G177-V181 PolarHBondContact O-N 3.29Å
178G98Very high97.2Very high2 Ų241.5 Ų41.52%0.02120%0.199CC..Hα-helixtrans-61-24.6-172.200000115.4G152 T153 T182 K209 S300G152-G178 PolarHBondContact O-N 3.39Å; T153-G178 PolarHBondContact O-N 2.57Å; G178-T182 WeakPolarHBondContact O-CB 3.32Å; G178-T182 PolarHBondContact O-N 3.32Å; G178-T182 PolarHBondContact O-OG1 2.92Å; G178-K209 PolarHBondContact O-NZ 3.31Å; G178-K209 VanDerWaalsContact O-NZ 3.15Å; G178-S300 WeakPolarHBondContact CA-OG 3.37Å; G178-S300 PolarHBondContact N-OG 3.42Å
179S97.1Very high97.3Very high13 Ų1338.3 Ų38.39%0.09118%0.178CC..Hα-helixtrans-70.4-37.8174.257.70000112.3T153 G177 T182 E183T153-S179 VanDerWaalsContact O-CB 3.24Å; T153-S179 WeakPolarHBondContact O-CB 3.42Å; T153-S179 PolarHBondContact O-N 3.2Å; T153-S179 PolarHBondContact O-OG 3.22Å; G177-S179 PolarHBondContact O-N 3.48Å; G177-S179 VanDerWaalsContact O-N 3.13Å; S179-T182 WeakPolarHBondContact O-CB 3.3Å; S179-T182 PolarHBondContact O-N 3.44Å; S179-E183 PolarHBondContact O-N 2.77Å
180H97.9Very high97.2Very high69 Ų6932.6 Ų32.632%0.31915%0.15SC..Hα-helixtrans-68.1-41.6175.6-58.783.6000110.7E154 N175 L176 G177 T182 E183 L184 L256E154-H180 PolarHBondContact O-CE1 3.22Å; E154-H180 VanDerWaalsContact O-CE1 3.3Å; N175-H180 PolarHBondContact O-CE1 2.86Å; N175-H180 PolarHBondContact O-NE2 3.44Å; L176-H180 HydrophobicContact CD1-CB 3.77Å; G177-H180 PolarHBondContact N-ND1 3.33Å; G177-H180 WeakPolarHBondContact O-CB 3.49Å; G177-H180 PolarHBondContact O-N 3.02Å; H180-T182 VanDerWaalsContact C-N 3.3Å; H180-T182 PolarHBondContact O-N 3.44Å; H180-E183 PolarHBondContact O-N 3.28Å; H180-L184 PolarHBondContact O-N 2.81Å; H180-L256 HydrophobicContact CB-CD2 3.85Å
181V98.5Very high97.2Very high0 Ų039.6 Ų39.60%018%0.183CC..Hα-helixtrans-61-41.6171.7178.20000110.9G177 E183 F185 K209 A253 P254 L256 L257 F303G177-V181 PolarHBondContact O-N 3.29Å; V181-E183 VanDerWaalsContact C-N 3.32Å; V181-E183 PolarHBondContact O-N 3.36Å; V181-F185 WeakPolarHBondContact O-CB 3.15Å; V181-F185 PolarHBondContact O-N 3.19Å; V181-K209 HydrophobicContact CB-CD 4.33Å; V181-K209 HydrophobicContact CG1-CD 3.89Å; V181-K209 HydrophobicContact CG1-CG 4.2Å; V181-A253 HydrophobicContact CG1-CB 4.26Å; V181-P254 HydrophobicContact CG1-CB 4.39Å; V181-P254 HydrophobicContact CG1-CG 4.14Å; V181-L256 HydrophobicContact CG2-CB 4.49Å; V181-L256 HydrophobicContact CG2-CD2 4.18Å; V181-L257 HydrophobicContact CG2-CD1 4.34Å; V181-L257 HydrophobicContact CG2-CD2 4.04Å; V181-L257 HydrophobicContact CG2-CG 3.95Å; V181-F303 HydrophobicContact CG1-CE2 4.39Å; V181-F303 HydrophobicContact CG1-CZ 4.03Å
182T98.3Very high97Very high3 Ų342.5 Ų42.52%0.01820%0.196CC..Hα-helixtrans-60.7-43.7176.6-55.90000111.2G178 S179 H180 F185 R186 R202 A205 R206 K209G178-T182 WeakPolarHBondContact O-CB 3.32Å; G178-T182 PolarHBondContact O-N 3.32Å; G178-T182 PolarHBondContact O-OG1 2.92Å; S179-T182 WeakPolarHBondContact O-CB 3.3Å; S179-T182 PolarHBondContact O-N 3.44Å; H180-T182 VanDerWaalsContact C-N 3.3Å; H180-T182 PolarHBondContact O-N 3.44Å; T182-F185 PolarHBondContact O-N 3.13Å; T182-R186 VanDerWaalsContact O-CB 3.32Å; T182-R186 WeakPolarHBondContact O-CB 3.41Å; T182-R186 PolarHBondContact O-N 2.73Å; T182-R202 HydrophobicContact CG2-CG 4.23Å; T182-R202 WeakPolarHBondContact CG2-O 3.33Å; T182-A205 HydrophobicContact CG2-CB 4.21Å; T182-R206 HydrophobicContact CG2-CB 3.75Å; T182-K209 WeakPolarHBondContact OG1-CD 3.41Å; T182-K209 PolarHBondContact OG1-NZ 2.98Å
183E97.7Very high96.9Very high48 Ų4842.2 Ų42.222%0.22420%0.196CC..Hα-helixtrans-69.6-43.2-177.7-170.857.8-156.900111.7S179 H180 V181 F185 R186 Y187S179-E183 PolarHBondContact O-N 2.77Å; H180-E183 PolarHBondContact O-N 3.28Å; V181-E183 VanDerWaalsContact C-N 3.32Å; V181-E183 PolarHBondContact O-N 3.36Å; E183-F185 VanDerWaalsContact C-N 3.34Å; E183-F185 PolarHBondContact O-N 3.46Å; E183-R186 WeakPolarHBondContact O-CB 3.37Å; E183-R186 PolarHBondContact O-N 3.41Å; E183-R186 IonicContact OE1-CZ 3.23Å; E183-R186 IonicContact OE1-NE 2.73Å; E183-R186 PolarHBondContact OE1-NE 2.94Å; E183-R186 VanDerWaalsContact OE1-NE 3.15Å; E183-R186 IonicContact OE1-NH2 2.81Å; E183-R186 PolarHBondContact OE1-NH2 3.13Å; E183-R186 IonicContact OE2-NE 3.77Å; E183-R186 PolarHBondContact OE2-NE 3.45Å; E183-Y187 HydrophobicContact CG-CD2 3.99Å; E183-Y187 HydrophobicContact CG-CE2 3.47Å; E183-Y187 VanDerWaalsContact CG-CE2 3.47Å; E183-Y187 WeakPolarHBondContact O-CD2 3.15Å; E183-Y187 PolarHBondContact O-N 3.43Å; E183-Y187 WeakPolarHBondContact OE1-CE2 3.24Å; E183-Y187 PolarHBondContact OE1-OH 3.11Å; E183-Y187 VanDerWaalsContact OE1-OH 3.05Å
184L97.8Very high96.9Very high35 Ų3542.8 Ų42.818%0.18321%0.211CC..Hα-helixtrans-60.3-45.2173-17860.9000111.7H180 R186 Y187 M188 A253 L256 A263H180-L184 PolarHBondContact O-N 2.81Å; L184-R186 VanDerWaalsContact C-N 3.32Å; L184-R186 PolarHBondContact O-N 3.1Å; L184-Y187 PolarHBondContact O-N 3.24Å; L184-M188 HydrophobicContact CD1-CE 3.76Å; L184-M188 HydrophobicContact CD2-CE 3.9Å; L184-M188 HydrophobicContact CG-CE 3.66Å; L184-M188 HydrophobicContact CG-SD 4.32Å; L184-M188 WeakPolarHBondContact O-CG 3.09Å; L184-M188 PolarHBondContact O-N 3.15Å; L184-A253 HydrophobicContact CD2-CB 4.48Å; L184-A253 HydrophobicContact CG-CB 4.37Å; L184-L256 HydrophobicContact CD2-CB 4.01Å; L184-L256 HydrophobicContact CD2-CD1 4.16Å; L184-L256 HydrophobicContact CD2-CD2 4.29Å; L184-L256 HydrophobicContact CD2-CG 4.4Å; L184-A263 HydrophobicContact CD2-CB 4.02Å
185F98.2Very high96.9Very high0 Ų046.7 Ų46.70%024%0.236CC..Hα-helixtrans-59.5-43.3176.1-177.6-109.5000111.7V181 T182 E183 M188 L189 A205 L208 K209 C213 L246 E249 A253V181-F185 WeakPolarHBondContact O-CB 3.15Å; V181-F185 PolarHBondContact O-N 3.19Å; T182-F185 PolarHBondContact O-N 3.13Å; E183-F185 VanDerWaalsContact C-N 3.34Å; E183-F185 PolarHBondContact O-N 3.46Å; F185-M188 PolarHBondContact O-N 3.29Å; F185-L189 HydrophobicContact CD1-CD1 3.82Å; F185-L189 HydrophobicContact CD1-CG 4.45Å; F185-L189 HydrophobicContact CE1-CD1 3.34Å; F185-L189 HydrophobicContact CE1-CG 4.17Å; F185-L189 HydrophobicContact CE2-CD1 4.42Å; F185-L189 HydrophobicContact CE2-CG 4.45Å; F185-L189 HydrophobicContact CZ-CD1 3.69Å; F185-L189 HydrophobicContact CZ-CD2 4.42Å; F185-L189 HydrophobicContact CZ-CG 4.18Å; F185-L189 WeakPolarHBondContact O-CG 3.36Å; F185-L189 PolarHBondContact O-N 3.13Å; F185-A205 HydrophobicContact CD1-CB 4.18Å; F185-A205 WeakPolarHBondContact CD1-O 3.22Å; F185-A205 WeakPolarHBondContact CE1-O 3.29Å; F185-L208 HydrophobicContact CE1-CB 3.8Å; F185-L208 HydrophobicContact CZ-CB 4.21Å; F185-K209 HydrophobicContact CD1-CB 3.95Å; F185-K209 HydrophobicContact CE1-CB 4.18Å; F185-K209 HydrophobicContact CG-CB 4.39Å; F185-C213 VanDerWaalsContact CD2-SG 3.58Å; F185-C213 WeakPolarHBondContact CE2-SG 3.38Å; F185-L246 HydrophobicContact CZ-CD2 3.94Å; F185-E249 HydrophobicContact CD2-CB 3.86Å; F185-E249 HydrophobicContact CD2-CG 3.84Å; F185-E249 WeakPolarHBondContact CD2-O 3.43Å; F185-E249 HydrophobicContact CE2-CB 3.98Å; F185-E249 HydrophobicContact CE2-CG 3.45Å; F185-E249 VanDerWaalsContact CE2-CG 3.45Å; F185-E249 HydrophobicContact CZ-CG 4.33Å; F185-A253 HydrophobicContact CB-CB 3.63Å; F185-A253 HydrophobicContact CD2-CB 4.01Å; F185-A253 HydrophobicContact CG-CB 4.32Å
186R97.8Very high96.9Very high52 Ų5242.2 Ų42.220%0.19621%0.213CC..Hα-helixtrans-60.2-45.9176.1-167.6-173.974.675.22.7111.6T182 E183 L184 L189 A190 I200 A205T182-R186 VanDerWaalsContact O-CB 3.32Å; T182-R186 WeakPolarHBondContact O-CB 3.41Å; T182-R186 PolarHBondContact O-N 2.73Å; E183-R186 WeakPolarHBondContact O-CB 3.37Å; E183-R186 PolarHBondContact O-N 3.41Å; E183-R186 IonicContact OE1-CZ 3.23Å; E183-R186 IonicContact OE1-NE 2.73Å; E183-R186 PolarHBondContact OE1-NE 2.94Å; E183-R186 VanDerWaalsContact OE1-NE 3.15Å; E183-R186 IonicContact OE1-NH2 2.81Å; E183-R186 PolarHBondContact OE1-NH2 3.13Å; E183-R186 IonicContact OE2-NE 3.77Å; E183-R186 PolarHBondContact OE2-NE 3.45Å; L184-R186 VanDerWaalsContact C-N 3.32Å; L184-R186 PolarHBondContact O-N 3.1Å; R186-L189 PolarHBondContact O-N 3.25Å; R186-A190 WeakPolarHBondContact O-CB 3.35Å; R186-A190 PolarHBondContact O-N 3.32Å; R186-I200 HydrophobicContact CG-CG2 3.93Å; R186-I200 WeakPolarHBondContact CG-O 3.25Å; R186-A205 HydrophobicContact CB-CB 3.75Å; R186-A205 HydrophobicContact CG-CB 3.92Å
187Y97.1Very high96.8Very high132 Ų13243.6 Ų43.652%0.51822%0.224SC..Hα-helixtrans-61.6-47.1177-75.4-56.2000112.1E183 L184 L189 A190 E191E183-Y187 HydrophobicContact CG-CD2 3.99Å; E183-Y187 HydrophobicContact CG-CE2 3.47Å; E183-Y187 VanDerWaalsContact CG-CE2 3.47Å; E183-Y187 WeakPolarHBondContact O-CD2 3.15Å; E183-Y187 PolarHBondContact O-N 3.43Å; E183-Y187 WeakPolarHBondContact OE1-CE2 3.24Å; E183-Y187 PolarHBondContact OE1-OH 3.11Å; E183-Y187 VanDerWaalsContact OE1-OH 3.05Å; L184-Y187 PolarHBondContact O-N 3.24Å; Y187-L189 VanDerWaalsContact C-N 3.32Å; Y187-L189 PolarHBondContact O-N 2.68Å; Y187-A190 PolarHBondContact O-N 3.5Å; Y187-E191 WeakPolarHBondContact O-CB 3.2Å; Y187-E191 PolarHBondContact O-N 3.12Å
188M97.1Very high96.5Very high37 Ų3750 Ų5018%0.18226%0.264CS..Hα-helixtrans-60.2-41.9177.3-67.9174.7175.900111.8L184 F185 E191 E192 E249 M252 A253L184-M188 HydrophobicContact CD1-CE 3.76Å; L184-M188 HydrophobicContact CD2-CE 3.9Å; L184-M188 HydrophobicContact CG-CE 3.66Å; L184-M188 HydrophobicContact CG-SD 4.32Å; L184-M188 WeakPolarHBondContact O-CG 3.09Å; L184-M188 PolarHBondContact O-N 3.15Å; F185-M188 PolarHBondContact O-N 3.29Å; M188-E191 PolarHBondContact O-N 3.25Å; M188-E192 WeakPolarHBondContact O-CG 3.49Å; M188-E192 PolarHBondContact O-N 2.98Å; M188-E192 VanDerWaalsContact O-N 3.1Å; M188-E249 HydrophobicContact CB-CB 3.69Å; M188-E249 HydrophobicContact CG-CB 4.36Å; M188-E249 HydrophobicContact SD-CB 3.77Å; M188-M252 HydrophobicContact CE-CB 4.06Å; M188-M252 HydrophobicContact SD-CB 4.17Å; M188-A253 HydrophobicContact SD-CB 4.19Å
189L97Very high96.2Very high0 Ų051 Ų510%027%0.27CS..Hα-helixtrans-65.2-41176.4-73.5179.3000112.8F185 R186 Y187 E191 E192 H193 I200 L208 L246 E249F185-L189 HydrophobicContact CD1-CD1 3.82Å; F185-L189 HydrophobicContact CD1-CG 4.45Å; F185-L189 HydrophobicContact CE1-CD1 3.34Å; F185-L189 HydrophobicContact CE1-CG 4.17Å; F185-L189 HydrophobicContact CE2-CD1 4.42Å; F185-L189 HydrophobicContact CE2-CG 4.45Å; F185-L189 HydrophobicContact CZ-CD1 3.69Å; F185-L189 HydrophobicContact CZ-CD2 4.42Å; F185-L189 HydrophobicContact CZ-CG 4.18Å; F185-L189 WeakPolarHBondContact O-CG 3.36Å; F185-L189 PolarHBondContact O-N 3.13Å; R186-L189 PolarHBondContact O-N 3.25Å; Y187-L189 VanDerWaalsContact C-N 3.32Å; Y187-L189 PolarHBondContact O-N 2.68Å; L189-E191 VanDerWaalsContact C-N 3.31Å; L189-E192 PolarHBondContact O-N 3.04Å; L189-H193 WeakPolarHBondContact O-CB 3.37Å; L189-H193 PolarHBondContact O-CD2 2.76Å; L189-H193 VanDerWaalsContact O-CD2 3.29Å; L189-H193 PolarHBondContact O-N 3.38Å; L189-I200 HydrophobicContact CB-CD1 3.93Å; L189-I200 HydrophobicContact CB-CG2 4.23Å; L189-I200 HydrophobicContact CD1-CG2 4.18Å; L189-L208 HydrophobicContact CD1-CD1 4.36Å; L189-L246 HydrophobicContact CD1-CD2 4.23Å; L189-L246 HydrophobicContact CD2-CD2 3.47Å; L189-L246 VanDerWaalsContact CD2-CD2 3.47Å; L189-L246 HydrophobicContact CG-CD2 4.46Å; L189-E249 HydrophobicContact CD2-CG 3.72Å; L189-E249 VanDerWaalsContact CD2-OE1 3.24Å; L189-E249 WeakPolarHBondContact CD2-OE1 3.35Å; L189-E249 HydrophobicContact CG-CG 4.19Å
190A96.7Very high96.1Very high19 Ų1950.4 Ų50.416%0.15727%0.266CS..Hα-helixtrans-67.1-34.3178.600000112.1R186 Y187 H193 A197R186-A190 WeakPolarHBondContact O-CB 3.35Å; R186-A190 PolarHBondContact O-N 3.32Å; Y187-A190 PolarHBondContact O-N 3.5Å; A190-H193 CarbonylContact O-C 3.54Å; A190-A197 HydrophobicContact CB-CB 3.87Å
191E96.2Very high95.8Very high147 Ų14749.6 Ų49.669%0.68727%0.268SS*.Hα-helixtrans-67.2-44.8175.5-172.3-178.5171.600111.8Y187 M188 L189Y187-E191 WeakPolarHBondContact O-CB 3.2Å; Y187-E191 PolarHBondContact O-N 3.12Å; M188-E191 PolarHBondContact O-N 3.25Å; L189-E191 VanDerWaalsContact C-N 3.31Å
192E94.7Very high95.5Very high81 Ų8155.9 Ų55.938%0.37929%0.292SS..Hα-helixtrans-75.4-24.5179.1-64.1-67.7161.200112.9M188 L189 K248M188-E192 WeakPolarHBondContact O-CG 3.49Å; M188-E192 PolarHBondContact O-N 2.98Å; M188-E192 VanDerWaalsContact O-N 3.1Å; L189-E192 PolarHBondContact O-N 3.04Å; E192-K248 WeakPolarHBondContact OE1-CE 3.34Å; E192-K248 IonicContact OE1-NZ 3.59Å; E192-K248 PolarHBondContact OE1-NZ 3.12Å
193H96.1Very high95.1Very high39 Ų3956.9 Ų56.918%0.18130%0.297CS..  trans-12767.6-179.2-54.6-76.8000112.3L189 A190 V195 A196 A197 I200 I244 R245L189-H193 WeakPolarHBondContact O-CB 3.37Å; L189-H193 PolarHBondContact O-CD2 2.76Å; L189-H193 VanDerWaalsContact O-CD2 3.29Å; L189-H193 PolarHBondContact O-N 3.38Å; A190-H193 CarbonylContact O-C 3.54Å; H193-V195 VanDerWaalsContact C-N 3.25Å; H193-V195 PolarHBondContact O-N 3.2Å; H193-V195 VanDerWaalsContact O-N 3.13Å; H193-A196 HydrophobicContact CB-CB 4.16Å; H193-A196 PolarHBondContact O-N 3.23Å; H193-A197 PolarHBondContact O-N 3.01Å; H193-A197 VanDerWaalsContact O-N 3.16Å; H193-I200 HydrophobicContact CB-CD1 4.48Å; H193-I244 HydrophobicContact CB-CG2 3.97Å; H193-R245 PolarHBondContact CE1-N 2.84Å; H193-R245 PolarHBondContact CE1-O 2.81Å; H193-R245 PolarHBondContact NE2-N 3.04Å; H193-R245 PolarHBondContact NE2-O 3.49Å
194P95.2Very high94.8Very high95 Ų9556.2 Ų56.262%0.61729%0.293SS*.G310 helixtrans-57.3-34-173.7-27.435.8000114.6A196 A197P194-A196 VanDerWaalsContact C-N 3.26Å; P194-A196 PolarHBondContact O-N 3.25Å; P194-A197 VanDerWaalsContact O-CB 3.29Å; P194-A197 WeakPolarHBondContact O-CB 3.38Å; P194-A197 PolarHBondContact O-N 3.3Å
195V94.8Very high94.8Very high110 Ų11054.5 Ų54.567%0.66729%0.285SS*.G310 helixtrans-66-31.2178.8-174.50000111.7H193H193-V195 VanDerWaalsContact C-N 3.25Å; H193-V195 PolarHBondContact O-N 3.2Å; H193-V195 VanDerWaalsContact O-N 3.13Å
196A94.7Very high94.7Very high2 Ų257.1 Ų57.12%0.01730%0.295CS..G310 helixtrans-95.5-2.4179.800000113.1H193 P194 T198 S199 I200 T238 H242 I244H193-A196 HydrophobicContact CB-CB 4.16Å; H193-A196 PolarHBondContact O-N 3.23Å; P194-A196 VanDerWaalsContact C-N 3.26Å; P194-A196 PolarHBondContact O-N 3.25Å; A196-T198 VanDerWaalsContact C-N 3.3Å; A196-T198 PolarHBondContact O-N 3.34Å; A196-S199 WeakPolarHBondContact O-CA 3.18Å; A196-S199 PolarHBondContact O-N 2.69Å; A196-I200 HydrophobicContact CB-CD1 4.2Å; A196-I200 HydrophobicContact CB-CG1 4.41Å; A196-I200 WeakPolarHBondContact O-CG1 3.48Å; A196-I200 PolarHBondContact O-N 2.88Å; A196-I200 VanDerWaalsContact O-N 3.1Å; A196-T238 HydrophobicContact CB-CG2 4.22Å; A196-H242 HydrophobicContact CB-CB 3.73Å; A196-I244 HydrophobicContact CB-CG2 3.7Å
197A94.1Very high94.6Very high31 Ų3159.1 Ų59.126%0.25631%0.308SS..THydrogen-bonded Turntrans-55.5-39.8-168.600000113.7A190 H193 P194 S199A190-A197 HydrophobicContact CB-CB 3.87Å; H193-A197 PolarHBondContact O-N 3.01Å; H193-A197 VanDerWaalsContact O-N 3.16Å; P194-A197 VanDerWaalsContact O-CB 3.29Å; P194-A197 WeakPolarHBondContact O-CB 3.38Å; P194-A197 PolarHBondContact O-N 3.3Å; A197-S199 PolarHBondContact O-N 2.83Å
198T91.5Very high94.6Very high134 Ų13453.4 Ų53.482%0.82229%0.287SS*.THydrogen-bonded Turntrans-69.3-22.8177.949.60000113.2A196A196-T198 VanDerWaalsContact C-N 3.3Å; A196-T198 PolarHBondContact O-N 3.34Å
199S91.4Very high94.6Very high23 Ų2352.1 Ų52.116%0.16128%0.28CS..THydrogen-bonded Turntrans-99-13.5-173.3-560000112.6A196 A197 S201 D240A196-S199 WeakPolarHBondContact O-CA 3.18Å; A196-S199 PolarHBondContact O-N 2.69Å; A197-S199 PolarHBondContact O-N 2.83Å; S199-S201 VanDerWaalsContact C-N 3.25Å; S199-S201 PolarHBondContact O-N 2.81Å; S199-D240 VanDerWaalsContact CB-CG 3.49Å; S199-D240 WeakPolarHBondContact CB-OD1 3.33Å; S199-D240 WeakPolarHBondContact CB-OD2 3.34Å; S199-D240 PolarHBondContact OG-OD1 3.42Å; S199-D240 PolarHBondContact OG-OD2 2.96Å
200I94.3Very high94.6Very high2 Ų257.3 Ų57.31%0.0131%0.305CS..  trans-78.777.9170.5-57158.7000108.8R186 L189 H193 A196 F204 A205 T238 I244R186-I200 HydrophobicContact CG-CG2 3.93Å; R186-I200 WeakPolarHBondContact CG-O 3.25Å; L189-I200 HydrophobicContact CB-CD1 3.93Å; L189-I200 HydrophobicContact CB-CG2 4.23Å; L189-I200 HydrophobicContact CD1-CG2 4.18Å; H193-I200 HydrophobicContact CB-CD1 4.48Å; A196-I200 HydrophobicContact CB-CD1 4.2Å; A196-I200 HydrophobicContact CB-CG1 4.41Å; A196-I200 WeakPolarHBondContact O-CG1 3.48Å; A196-I200 PolarHBondContact O-N 2.88Å; A196-I200 VanDerWaalsContact O-N 3.1Å; I200-F204 HydrophobicContact CG2-CD1 4.47Å; I200-A205 HydrophobicContact CG2-CB 4.25Å; I200-T238 HydrophobicContact CG1-CG2 4.09Å; I200-I244 HydrophobicContact CD1-CG2 4.27Å; I200-I244 HydrophobicContact CG1-CG2 4.5Å
201S92Very high94.6Very high51 Ų5164 Ų6436%0.35733%0.33SS..  trans-67.6160.9174.776.80000111.8S199 D203 F204 A205S199-S201 VanDerWaalsContact C-N 3.25Å; S199-S201 PolarHBondContact O-N 2.81Å; S201-D203 VanDerWaalsContact C-N 3.29Å; S201-D203 PolarHBondContact O-N 2.91Å; S201-F204 PolarHBondContact O-N 3.08Å; S201-F204 WeakPolarHBondContact OG-CB 3.45Å; S201-F204 PolarHBondContact OG-N 2.89Å; S201-A205 WeakPolarHBondContact O-CB 3.18Å; S201-A205 PolarHBondContact O-N 2.8Å
202R92.3Very high94.6Very high133 Ų13358.5 Ų58.550%0.50230%0.304SS..Hα-helixtrans-56.8-40.7177-174.5179.8177.6-145.32.9112.4T182 R206T182-R202 HydrophobicContact CG2-CG 4.23Å; T182-R202 WeakPolarHBondContact CG2-O 3.33Å; R202-R206 WeakPolarHBondContact O-CB 3.37Å; R202-R206 PolarHBondContact O-N 2.8Å
203D90Very high94.8Very high24 Ų2454.9 Ų54.913%0.12829%0.287CS..Hα-helixtrans-73.6-37.9179.2-68.1-69.1000112.8R58 S201 R206 L207R58-D203 IonicContact CZ-OD2 3.04Å; R58-D203 IonicContact NE-OD2 2.9Å; R58-D203 PolarHBondContact NE-OD2 2.88Å; R58-D203 VanDerWaalsContact NE-OD2 3.17Å; R58-D203 IonicContact NH1-OD2 3.87Å; R58-D203 PolarHBondContact NH1-OD2 2.89Å; R58-D203 VanDerWaalsContact NH2-CG 3.34Å; R58-D203 IonicContact NH2-OD1 3.2Å; R58-D203 IonicContact NH2-OD2 2.78Å; R58-D203 PolarHBondContact NH2-OD2 2.88Å; S201-D203 VanDerWaalsContact C-N 3.29Å; S201-D203 PolarHBondContact O-N 2.91Å; D203-R206 WeakPolarHBondContact O-CB 3.48Å; D203-R206 PolarHBondContact O-N 2.92Å; D203-R206 IonicContact OD1-NE 3.64Å; D203-R206 PolarHBondContact OD1-NE 3.27Å; D203-R206 IonicContact OD1-NH2 3.35Å; D203-L207 WeakPolarHBondContact O-CG 3.47Å; D203-L207 PolarHBondContact O-N 3.28Å
204F92.6Very high94.9Very high33 Ų3355 Ų5515%0.14529%0.288CS..Hα-helixtrans-62-46.9174-175.9-109.4000110.8I200 S201 R206 L207 L208 Q237 T238 P239 I244I200-F204 HydrophobicContact CG2-CD1 4.47Å; S201-F204 PolarHBondContact O-N 3.08Å; S201-F204 WeakPolarHBondContact OG-CB 3.45Å; S201-F204 PolarHBondContact OG-N 2.89Å; F204-R206 VanDerWaalsContact C-N 3.3Å; F204-R206 PolarHBondContact O-N 3.08Å; F204-L207 PolarHBondContact O-N 3.1Å; F204-L208 HydrophobicContact CD1-CD1 3.97Å; F204-L208 HydrophobicContact CE1-CD1 3.48Å; F204-L208 VanDerWaalsContact CE1-CD1 3.48Å; F204-L208 HydrophobicContact CE1-CG 4.36Å; F204-L208 HydrophobicContact CE2-CD1 4.45Å; F204-L208 HydrophobicContact CZ-CD1 3.75Å; F204-L208 HydrophobicContact CZ-CG 4.31Å; F204-L208 WeakPolarHBondContact O-CG 3.36Å; F204-L208 PolarHBondContact O-N 3.4Å; F204-L208 VanDerWaalsContact O-N 3.07Å; F204-Q237 WeakPolarHBondContact CZ-O 3.37Å; F204-T238 HydrophobicContact CD1-CG2 4.34Å; F204-T238 HydrophobicContact CE1-CG2 3.64Å; F204-T238 HydrophobicContact CZ-CG2 4.15Å; F204-P239 HydrophobicContact CD2-CG 4.49Å; F204-I244 HydrophobicContact CE1-CD1 3.63Å; F204-I244 HydrophobicContact CZ-CD1 4.16Å
205A96.9Very high95Very high0 Ų050.6 Ų50.60%026%0.259CS..Hα-helixtrans-59.2-39.7173.300000112.2T182 F185 R186 I200 S201 L208 K209T182-A205 HydrophobicContact CG2-CB 4.21Å; F185-A205 HydrophobicContact CD1-CB 4.18Å; F185-A205 WeakPolarHBondContact CD1-O 3.22Å; F185-A205 WeakPolarHBondContact CE1-O 3.29Å; R186-A205 HydrophobicContact CB-CB 3.75Å; R186-A205 HydrophobicContact CG-CB 3.92Å; I200-A205 HydrophobicContact CG2-CB 4.25Å; S201-A205 WeakPolarHBondContact O-CB 3.18Å; S201-A205 PolarHBondContact O-N 2.8Å; A205-L208 PolarHBondContact O-N 2.96Å; A205-K209 WeakPolarHBondContact O-CB 3.4Å; A205-K209 PolarHBondContact O-N 2.98Å
206R96Very high95.1Very high55 Ų5545.6 Ų45.621%0.20823%0.229CC..Hα-helixtrans-61.3-47.9176.7-176.8179.661.676.4-1.9111.9T182 R202 D203 F204 K209 E210T182-R206 HydrophobicContact CG2-CB 3.75Å; R202-R206 WeakPolarHBondContact O-CB 3.37Å; R202-R206 PolarHBondContact O-N 2.8Å; D203-R206 WeakPolarHBondContact O-CB 3.48Å; D203-R206 PolarHBondContact O-N 2.92Å; D203-R206 IonicContact OD1-NE 3.64Å; D203-R206 PolarHBondContact OD1-NE 3.27Å; D203-R206 IonicContact OD1-NH2 3.35Å; F204-R206 VanDerWaalsContact C-N 3.3Å; F204-R206 PolarHBondContact O-N 3.08Å; R206-K209 WeakPolarHBondContact O-CB 3.27Å; R206-K209 PolarHBondContact O-N 3.48Å; R206-E210 WeakPolarHBondContact CG-OE1 3.48Å; R206-E210 IonicContact NH1-OE1 3.59Å; R206-E210 PolarHBondContact NH1-OE1 3.25Å; R206-E210 VanDerWaalsContact NH1-OE1 3.1Å; R206-E210 IonicContact NH1-OE2 2.68Å; R206-E210 PolarHBondContact NH1-OE2 3.39Å; R206-E210 WeakPolarHBondContact O-CG 3.33Å; R206-E210 PolarHBondContact O-N 3.21Å
207L95Very high95.1Very high93 Ų9350.2 Ų50.249%0.48725%0.252SS..Hα-helixtrans-62.1-44.4179.9-70.5173.2000111.4D203 F204 E210 K211D203-L207 WeakPolarHBondContact O-CG 3.47Å; D203-L207 PolarHBondContact O-N 3.28Å; F204-L207 PolarHBondContact O-N 3.1Å; L207-E210 PolarHBondContact O-N 2.93Å; L207-K211 WeakPolarHBondContact O-CB 3.43Å; L207-K211 PolarHBondContact O-N 3.04Å; L207-K211 VanDerWaalsContact O-N 3.13Å
208L97.1Very high95.1Very high12 Ų1251.9 Ų51.96%0.06326%0.257CS..Hα-helixtrans-64.5-42.5175.4-68.7179.6000111.7F185 L189 F204 A205 K211 F212 H236 I244 L246F185-L208 HydrophobicContact CE1-CB 3.8Å; F185-L208 HydrophobicContact CZ-CB 4.21Å; L189-L208 HydrophobicContact CD1-CD1 4.36Å; F204-L208 HydrophobicContact CD1-CD1 3.97Å; F204-L208 HydrophobicContact CE1-CD1 3.48Å; F204-L208 VanDerWaalsContact CE1-CD1 3.48Å; F204-L208 HydrophobicContact CE1-CG 4.36Å; F204-L208 HydrophobicContact CE2-CD1 4.45Å; F204-L208 HydrophobicContact CZ-CD1 3.75Å; F204-L208 HydrophobicContact CZ-CG 4.31Å; F204-L208 WeakPolarHBondContact O-CG 3.36Å; F204-L208 PolarHBondContact O-N 3.4Å; F204-L208 VanDerWaalsContact O-N 3.07Å; A205-L208 PolarHBondContact O-N 2.96Å; L208-K211 PolarHBondContact O-N 3.44Å; L208-F212 HydrophobicContact CB-CD2 4.42Å; L208-F212 HydrophobicContact CD2-CD2 3.92Å; L208-F212 HydrophobicContact CD2-CE2 3.73Å; L208-F212 WeakPolarHBondContact O-CB 3.47Å; L208-F212 WeakPolarHBondContact O-CD2 3.45Å; L208-F212 PolarHBondContact O-N 3.27Å; L208-H236 HydrophobicContact CD2-CB 4.31Å; L208-I244 HydrophobicContact CD1-CD1 3.51Å; L208-L246 HydrophobicContact CD1-CD2 4.41Å
209K98.1Very high95Very high11 Ų1146.6 Ų46.65%0.04823%0.225CC..Hα-helixtrans-59-50.3176.1175.4-145.270.8-1780111.6G178 V181 T182 F185 A205 R206 K211 C213 F303G178-K209 PolarHBondContact O-NZ 3.31Å; G178-K209 VanDerWaalsContact O-NZ 3.15Å; V181-K209 HydrophobicContact CB-CD 4.33Å; V181-K209 HydrophobicContact CG1-CD 3.89Å; V181-K209 HydrophobicContact CG1-CG 4.2Å; T182-K209 WeakPolarHBondContact OG1-CD 3.41Å; T182-K209 PolarHBondContact OG1-NZ 2.98Å; F185-K209 HydrophobicContact CD1-CB 3.95Å; F185-K209 HydrophobicContact CE1-CB 4.18Å; F185-K209 HydrophobicContact CG-CB 4.39Å; A205-K209 WeakPolarHBondContact O-CB 3.4Å; A205-K209 PolarHBondContact O-N 2.98Å; R206-K209 WeakPolarHBondContact O-CB 3.27Å; R206-K209 PolarHBondContact O-N 3.48Å; K209-K211 PolarHBondContact O-N 3.45Å; K209-C213 VanDerWaalsContact CA-SG 3.58Å; K209-C213 HydrophobicContact CG-CB 4.09Å; K209-C213 WeakPolarHBondContact O-CB 3.39Å; K209-C213 PolarHBondContact O-N 2.87Å; K209-F303 HydrophobicContact CD-CZ 3.97Å; K209-F303 HydrophobicContact CG-CE1 4.04Å; K209-F303 HydrophobicContact CG-CZ 3.93Å
210E97Very high94.9Very high109 Ų10950.8 Ų50.851%0.50925%0.246SC..Hα-helixtrans-61.6-30.5179.6-73.7170.6-160.900112.5R206 L207R206-E210 WeakPolarHBondContact CG-OE1 3.48Å; R206-E210 IonicContact NH1-OE1 3.59Å; R206-E210 PolarHBondContact NH1-OE1 3.25Å; R206-E210 VanDerWaalsContact NH1-OE1 3.1Å; R206-E210 IonicContact NH1-OE2 2.68Å; R206-E210 PolarHBondContact NH1-OE2 3.39Å; R206-E210 WeakPolarHBondContact O-CG 3.33Å; R206-E210 PolarHBondContact O-N 3.21Å; L207-E210 PolarHBondContact O-N 2.93Å
211K96.4Very high94.7Very high160 Ų16053.8 Ų53.870%0.69626%0.262SS*.Hα-helixtrans-88.5-35.9-177.7-172169.3177.3179.70114.4L207 L208 K209L207-K211 WeakPolarHBondContact O-CB 3.43Å; L207-K211 PolarHBondContact O-N 3.04Å; L207-K211 VanDerWaalsContact O-N 3.13Å; L208-K211 PolarHBondContact O-N 3.44Å; K209-K211 PolarHBondContact O-N 3.45Å
212F96.6Very high94.7Very high31 Ų3154.3 Ų54.314%0.13626%0.259CS..Hα-helixtrans-122.7-18.3-165.7-60.8-70.3000115L208 H236 L246 R250L208-F212 HydrophobicContact CB-CD2 4.42Å; L208-F212 HydrophobicContact CD2-CD2 3.92Å; L208-F212 HydrophobicContact CD2-CE2 3.73Å; L208-F212 WeakPolarHBondContact O-CB 3.47Å; L208-F212 WeakPolarHBondContact O-CD2 3.45Å; L208-F212 PolarHBondContact O-N 3.27Å; F212-H236 AromaticContact CD2-NE2 3.69Å; F212-H236 AromaticContact CE1-CE1 3.83Å; F212-H236 AromaticContact CE1-NE2 4Å; F212-H236 AromaticContact CE2-CE1 3.26Å; F212-H236 WeakPolarHBondContact CE2-CE1 3.27Å; F212-H236 AromaticContact CE2-NE2 3.28Å; F212-H236 VanDerWaalsContact CE2-NE2 3.28Å; F212-H236 WeakPolarHBondContact CE2-NE2 3.33Å; F212-H236 AromaticContact CZ-CE1 3.08Å; F212-H236 WeakPolarHBondContact CZ-CE1 3.02Å; F212-H236 AromaticContact CZ-NE2 3.46Å; F212-H236 WeakPolarHBondContact CZ-NE2 3.11Å; F212-L246 HydrophobicContact CB-CD1 3.64Å; F212-L246 HydrophobicContact CD2-CD1 3.61Å; F212-L246 HydrophobicContact CE2-CD1 4.43Å; F212-L246 HydrophobicContact CG-CD1 3.71Å; F212-R250 PolarHBondContact O-NE 3.04Å; F212-R250 PolarHBondContact O-NH2 3.16Å; F212-R250 VanDerWaalsContact O-NH2 3.1Å
213C98.1Very high94.4Very high4 Ų455.3 Ų55.33%0.02726%0.262CS..  trans-78.9152.6178.7-670000111.8F185 K209 R250 P254 F303F185-C213 VanDerWaalsContact CD2-SG 3.58Å; F185-C213 WeakPolarHBondContact CE2-SG 3.38Å; K209-C213 VanDerWaalsContact CA-SG 3.58Å; K209-C213 HydrophobicContact CG-CB 4.09Å; K209-C213 WeakPolarHBondContact O-CB 3.39Å; K209-C213 PolarHBondContact O-N 2.87Å; C213-R250 CarbonylContact C-O 3.4Å; C213-R250 WeakPolarHBondContact CA-O 3.21Å; C213-R250 WeakPolarHBondContact CB-O 3.44Å; C213-R250 PolarHBondContact SG-O 3.19Å; C213-P254 HydrophobicContact CB-CG 3.71Å; C213-F303 HydrophobicContact CB-CD1 4.17Å; C213-F303 HydrophobicContact CB-CE1 3.67Å
214F97.8Very high94.4Very high42 Ų4261.2 Ų61.218%0.18429%0.287CS..  trans-152.5164.8-179.263.4-81.5000109.8R250 F251 P304F214-R250 HydrophobicContact CD1-CB 4.31Å; F214-R250 HydrophobicContact CE1-CB 3.99Å; F214-R250 PolarHBondContact N-O 3.09Å; F214-F251 HydrophobicContact CD2-CB 4.33Å; F214-F251 HydrophobicContact CE1-CB 4.2Å; F214-F251 HydrophobicContact CE1-CD1 4.45Å; F214-F251 HydrophobicContact CE2-CB 3.89Å; F214-F251 HydrophobicContact CZ-CB 3.83Å; F214-F251 AromaticContact CZ-CD1 3.98Å; F214-F251 HydrophobicContact CZ-CD1 3.98Å; F214-F251 HydrophobicContact CZ-CG 4.3Å; F214-F251 WeakPolarHBondContact O-CA 3.33Å; F214-P304 HydrophobicContact CB-CB 3.98Å; F214-P304 HydrophobicContact CB-CG 4.27Å
215I98.1Very high94Very high3 Ų364.9 Ų64.92%0.01531%0.305CS..  trans-99.7118.5173.6-71.8159000108.3P254 F258 F303 P304 F306 R309I215-P254 HydrophobicContact CG1-CB 3.75Å; I215-F258 HydrophobicContact CD1-CE2 3.71Å; I215-F258 HydrophobicContact CG1-CE2 4.32Å; I215-F258 HydrophobicContact CG2-CD2 4.41Å; I215-F258 HydrophobicContact CG2-CE2 4.01Å; I215-F303 HydrophobicContact CD1-CB 3.71Å; I215-F303 HydrophobicContact CD1-CD2 4.17Å; I215-F303 HydrophobicContact CD1-CG 4.29Å; I215-F303 HydrophobicContact CG1-CB 4.02Å; I215-F303 HydrophobicContact CG1-CG 4.46Å; I215-P304 PolarHBondContact N-O 3.46Å; I215-F306 HydrophobicContact CD1-CB 3.68Å; I215-F306 HydrophobicContact CD1-CD2 3.26Å; I215-F306 HydrophobicContact CD1-CE2 4.18Å; I215-F306 HydrophobicContact CD1-CG 3.83Å; I215-R309 HydrophobicContact CG2-CB 3.49Å; I215-R309 VanDerWaalsContact CG2-CB 3.49Å; I215-R309 HydrophobicContact CG2-CG 3.61Å
216S96.5Very high93.2Very high5 Ų567.7 Ų67.74%0.03532%0.319CS..  trans-76.6145.2175.6-179.80000111.5N218 E222 R309S216-N218 PolarHBondContact OG-N 3.42Å; S216-N218 PolarHBondContact OG-O 3.29Å; S216-E222 WeakPolarHBondContact OG-CG 3.45Å; S216-R309 PolarHBondContact O-NH1 3.39Å
217L95.5Very high92Very high98 Ų9872.8 Ų72.851%0.51335%0.351SS..SBendtrans-76.1-29.5168.5-62.4-177.8000112.1Q308 R309L217-Q308 HydrophobicContact CD2-CB 3.76Å; L217-R309 HydrophobicContact CD2-CB 4Å
218N93.3Very high90.6Very high67 Ų6772.9 Ų72.936%0.35836%0.359SS..  trans-141.889.7175.8-169.4-19.2000109.9S216 D220 D221 E222S216-N218 PolarHBondContact OG-N 3.42Å; S216-N218 PolarHBondContact OG-O 3.29Å; N218-D220 PolarHBondContact O-N 2.95Å; N218-D220 PolarHBondContact OD1-N 2.93Å; N218-D221 HydrophobicContact CB-CB 4.19Å; N218-D221 VanDerWaalsContact ND2-CG 3.25Å; N218-D221 PolarHBondContact ND2-OD2 3.49Å; N218-D221 PolarHBondContact O-N 3.19Å; N218-D221 PolarHBondContact OD1-N 3.17Å; N218-E222 PolarHBondContact O-N 3.14Å
219P90.3Very high88.9Confident23 Ų2376.2 Ų76.215%0.14938%0.38CS..Hα-helixtrans-57.4-31.1179.6-26.334.8000114.2R223 F251P219-R223 WeakPolarHBondContact O-CB 2.95Å; P219-R223 PolarHBondContact O-N 2.8Å; P219-F251 HydrophobicContact CB-CD2 4.26Å; P219-F251 HydrophobicContact CB-CE2 4.34Å; P219-F251 WeakPolarHBondContact O-CE2 3.33Å
220D89.1Confident87.4Confident111 Ų11180.8 Ų80.859%0.59441%0.414SS*.Hα-helixtrans-70.5-38.3-179.4-69.2-36.9000112.1N218 R223 K224N218-D220 PolarHBondContact O-N 2.95Å; N218-D220 PolarHBondContact OD1-N 2.93Å; D220-R223 PolarHBondContact O-N 3.08Å; D220-K224 WeakPolarHBondContact O-CG 3.41Å; D220-K224 PolarHBondContact O-N 2.68Å
221D90.8Very high86.3Confident65 Ų6578 Ų7835%0.34840%0.402SS..Hα-helixtrans-72.2-38.5176.9-71.6-17.5000111.5N218 R223 K224 Q225N218-D221 HydrophobicContact CB-CB 4.19Å; N218-D221 VanDerWaalsContact ND2-CG 3.25Å; N218-D221 PolarHBondContact ND2-OD2 3.49Å; N218-D221 PolarHBondContact O-N 3.19Å; N218-D221 PolarHBondContact OD1-N 3.17Å; D221-R223 VanDerWaalsContact C-N 3.28Å; D221-R223 PolarHBondContact O-N 2.77Å; D221-K224 PolarHBondContact O-N 2.75Å; D221-K224 IonicContact OD1-NZ 2.95Å; D221-K224 PolarHBondContact OD1-NZ 3.27Å; D221-Q225 WeakPolarHBondContact O-CG 3.45Å; D221-Q225 PolarHBondContact O-N 3.29Å
222E90.7Very high85.4Confident62 Ų6275.9 Ų75.929%0.2940%0.403SS..Hα-helixtrans-59.1-41.8172.4-70.7-68.7-167.600111.6S216 N218 K224 Q225 L226 F251S216-E222 WeakPolarHBondContact OG-CG 3.45Å; N218-E222 PolarHBondContact O-N 3.14Å; E222-K224 VanDerWaalsContact C-N 3.28Å; E222-K224 PolarHBondContact O-N 3.32Å; E222-Q225 PolarHBondContact O-N 3.17Å; E222-Q225 VanDerWaalsContact O-N 3.1Å; E222-L226 PolarHBondContact O-N 3.27Å; E222-F251 HydrophobicContact CB-CD1 4.16Å; E222-F251 HydrophobicContact CB-CD2 4.23Å; E222-F251 HydrophobicContact CB-CE1 3.8Å; E222-F251 HydrophobicContact CB-CE2 3.88Å; E222-F251 HydrophobicContact CB-CG 4.37Å; E222-F251 HydrophobicContact CB-CZ 3.66Å
223R87.6Confident84.7Confident153 Ų15381 Ų8158%0.57743%0.427SS*.Hα-helixtrans-60.4-37177.9-173.3175.8-179.1147.60.3112.5P219 D220 D221 Q225 L226 F251P219-R223 WeakPolarHBondContact O-CB 2.95Å; P219-R223 PolarHBondContact O-N 2.8Å; D220-R223 PolarHBondContact O-N 3.08Å; D221-R223 VanDerWaalsContact C-N 3.28Å; D221-R223 PolarHBondContact O-N 2.77Å; R223-Q225 VanDerWaalsContact C-N 3.31Å; R223-L226 HydrophobicContact CG-CD1 4.3Å; R223-F251 HydrophobicContact CB-CZ 4.38Å
224K88.8Confident84.3Confident149 Ų14981.7 Ų81.765%0.64843%0.431SS*.Hα-helixtrans-69.6-29.3177.6-65167.2-161.4157.40112.2D220 D221 E222D220-K224 WeakPolarHBondContact O-CG 3.41Å; D220-K224 PolarHBondContact O-N 2.68Å; D221-K224 PolarHBondContact O-N 2.75Å; D221-K224 IonicContact OD1-NZ 2.95Å; D221-K224 PolarHBondContact OD1-NZ 3.27Å; E222-K224 VanDerWaalsContact C-N 3.28Å; E222-K224 PolarHBondContact O-N 3.32Å
225Q84.5Confident84Confident110 Ų11082 Ų8251%0.51444%0.436SS..Hα-helixtrans-84.7-7.4-177.8-65.2179.431.100114.1D221 E222 R223 N227 S228D221-Q225 WeakPolarHBondContact O-CG 3.45Å; D221-Q225 PolarHBondContact O-N 3.29Å; E222-Q225 PolarHBondContact O-N 3.17Å; E222-Q225 VanDerWaalsContact O-N 3.1Å; R223-Q225 VanDerWaalsContact C-N 3.31Å; Q225-N227 VanDerWaalsContact C-N 3.25Å; Q225-N227 PolarHBondContact O-N 3.18Å; Q225-S228 PolarHBondContact O-N 3.26Å; Q225-S228 PolarHBondContact O-OG 2.94Å
226L80.4Confident83.8Confident59 Ų5983.5 Ų83.531%0.30944%0.443SS..G310 helixtrans-57.7-35.6-179.1-74169.4000113.6E222 R223 S228 K248 F251E222-L226 PolarHBondContact O-N 3.27Å; R223-L226 HydrophobicContact CG-CD1 4.3Å; L226-S228 VanDerWaalsContact C-N 3.33Å; L226-S228 PolarHBondContact O-N 2.92Å; L226-K248 HydrophobicContact CD1-CB 3.66Å; L226-F251 HydrophobicContact CD1-CZ 4.38Å; L226-F251 HydrophobicContact CD2-CE1 4.17Å
227N69.4Low83.7Confident162 Ų16289.3 Ų89.387%0.86647%0.469SS*.G310 helixtrans-75-18.9-175.2-68.7-18.7000113.9Q225Q225-N227 VanDerWaalsContact C-N 3.25Å; Q225-N227 PolarHBondContact O-N 3.18Å
228S65.6Low83.5Confident94 Ų9484.8 Ų84.866%0.65745%0.446SS*.G310 helixtrans-90.7-10.6-174.855.90000113.9Q225 L226Q225-S228 PolarHBondContact O-N 3.26Å; Q225-S228 PolarHBondContact O-OG 2.94Å; L226-S228 VanDerWaalsContact C-N 3.33Å; L226-S228 PolarHBondContact O-N 2.92Å
229T61.5Low83.2Confident82 Ų8286.7 Ų86.750%0.50346%0.462SS..  trans-113.897.6-164.6-51.20000112.5N231T229-N231 HydrophobicContact CG2-CB 3.88Å; T229-N231 PolarHBondContact O-N 2.76Å
230S66.4Low83.2Confident108 Ų10889.4 Ų89.476%0.75548%0.475SS*.  trans-80.461.3168.354.50000111.7T232S230-T232 PolarHBondContact O-N 3.13Å
231N74.9Confident83.4Confident50 Ų5085.5 Ų85.527%0.26746%0.461SS..  trans-82.3112.1179.4-167.6-7.5000111.6T229 Q233 N234T229-N231 HydrophobicContact CG2-CB 3.88Å; T229-N231 PolarHBondContact O-N 2.76Å; N231-Q233 PolarHBondContact O-N 3.15Å; N231-Q233 VanDerWaalsContact OD1-CB 3.27Å; N231-Q233 WeakPolarHBondContact OD1-CB 3.34Å; N231-Q233 WeakPolarHBondContact OD1-CG 3.24Å; N231-Q233 PolarHBondContact OD1-N 2.64Å; N231-N234 PolarHBondContact O-N 2.95Å
232T77.1Confident83.5Confident116 Ų11685.7 Ų85.771%0.71246%0.46SS*.G310 helixtrans-63.6-23.5176.151.70000113.1S230 N234 V235S230-T232 PolarHBondContact O-N 3.13Å; T232-N234 PolarHBondContact O-N 3.06Å; T232-N234 VanDerWaalsContact O-N 3.15Å; T232-V235 PolarHBondContact O-N 3.17Å; T232-V235 VanDerWaalsContact O-N 3.14Å
233Q82.8Confident83.7Confident137 Ų13787.7 Ų87.764%0.6447%0.471SS*.G310 helixtrans-65.7-14.7177.5-63.1-178.5-12.200113.7N231 H236N231-Q233 PolarHBondContact O-N 3.15Å; N231-Q233 VanDerWaalsContact OD1-CB 3.27Å; N231-Q233 WeakPolarHBondContact OD1-CB 3.34Å; N231-Q233 WeakPolarHBondContact OD1-CG 3.24Å; N231-Q233 PolarHBondContact OD1-N 2.64Å; Q233-H236 PolarHBondContact O-CE1 2.95Å; Q233-H236 PolarHBondContact O-NE2 3.26Å
234N88.5Confident84Confident20 Ų2080.4 Ų80.411%0.10744%0.444CS..G310 helixtrans-90.21.2177.7-69.2-13.6000113.1N231 T232 R245 L246 R250N231-N234 PolarHBondContact O-N 2.95Å; T232-N234 PolarHBondContact O-N 3.06Å; T232-N234 VanDerWaalsContact O-N 3.15Å; N234-R245 CarbonylContact O-C 3.56Å; N234-R245 WeakPolarHBondContact O-CA 3.46Å; N234-L246 HydrophobicContact CB-CB 4.1Å; N234-L246 WeakPolarHBondContact CB-O 3.21Å; N234-L246 PolarHBondContact ND2-O 2.74Å; N234-L246 PolarHBondContact O-N 2.92Å; N234-R250 PolarHBondContact ND2-NH1 3.47Å; N234-R250 PolarHBondContact OD1-NH1 3.17Å
235V92.6Very high84.3Confident49 Ų4978.9 Ų78.930%0.29743%0.434SS..EExtended strand (participates in β ladder)trans-98.1125.2-179.7-176.40000109T232 I243 I244 R245T232-V235 PolarHBondContact O-N 3.17Å; T232-V235 VanDerWaalsContact O-N 3.14Å; V235-I243 HydrophobicContact CG1-CG2 3.35Å; V235-I244 WeakPolarHBondContact CA-O 3.22Å; V235-R245 HydrophobicContact CG2-CG 4.37Å
236H93.7Very high84.8Confident33 Ų3373.7 Ų73.715%0.15341%0.41CS..EExtended strand (participates in β ladder)trans-134.1158.6-178.4-53.3-60.2000111.3L208 F212 Q233 I243 I244 L246L208-H236 HydrophobicContact CD2-CB 4.31Å; F212-H236 AromaticContact CD2-NE2 3.69Å; F212-H236 AromaticContact CE1-CE1 3.83Å; F212-H236 AromaticContact CE1-NE2 4Å; F212-H236 AromaticContact CE2-CE1 3.26Å; F212-H236 WeakPolarHBondContact CE2-CE1 3.27Å; F212-H236 AromaticContact CE2-NE2 3.28Å; F212-H236 VanDerWaalsContact CE2-NE2 3.28Å; F212-H236 WeakPolarHBondContact CE2-NE2 3.33Å; F212-H236 AromaticContact CZ-CE1 3.08Å; F212-H236 WeakPolarHBondContact CZ-CE1 3.02Å; F212-H236 AromaticContact CZ-NE2 3.46Å; F212-H236 WeakPolarHBondContact CZ-NE2 3.11Å; Q233-H236 PolarHBondContact O-CE1 2.95Å; Q233-H236 PolarHBondContact O-NE2 3.26Å; H236-I243 CarbonylContact O-C 3.23Å; H236-I243 WeakPolarHBondContact O-CA 3.21Å; H236-I244 HydrophobicContact CB-CD1 4.39Å; H236-I244 HydrophobicContact CB-CG1 4.03Å; H236-I244 PolarHBondContact N-O 3.25Å; H236-I244 WeakPolarHBondContact O-CG1 3.41Å; H236-I244 PolarHBondContact O-N 3.02Å; H236-L246 WeakPolarHBondContact NE2-CD1 3.41Å
237Q93.9Very high85.4Confident127 Ų12773.2 Ų73.259%0.59341%0.41SS*.EExtended strand (participates in β ladder)trans-107.2129.1176.4-165.817227.800109.4F204 G241 H242 I243F204-Q237 WeakPolarHBondContact CZ-O 3.37Å; Q237-G241 WeakPolarHBondContact CG-O 3.33Å; Q237-G241 VanDerWaalsContact NE2-CA 3.31Å; Q237-G241 PolarHBondContact NE2-O 3.05Å; Q237-H242 WeakPolarHBondContact CA-O 3.45Å; Q237-I243 HydrophobicContact CB-CD1 4.08Å; Q237-I243 HydrophobicContact CG-CD1 4.06Å
238T91.9Very high86.6Confident4 Ų468.4 Ų68.43%0.02538%0.381CS..  trans-71.6162.2170.250.70000110.7A196 I200 F204 D240 G241 H242 I244A196-T238 HydrophobicContact CB-CG2 4.22Å; I200-T238 HydrophobicContact CG1-CG2 4.09Å; F204-T238 HydrophobicContact CD1-CG2 4.34Å; F204-T238 HydrophobicContact CE1-CG2 3.64Å; F204-T238 HydrophobicContact CZ-CG2 4.15Å; T238-D240 PolarHBondContact O-N 2.89Å; T238-D240 VanDerWaalsContact O-N 3.09Å; T238-D240 PolarHBondContact OG1-OD1 2.74Å; T238-G241 PolarHBondContact O-N 3.18Å; T238-H242 PolarHBondContact N-O 2.92Å; T238-H242 WeakPolarHBondContact OG1-CA 3.37Å; T238-H242 VanDerWaalsContact OG1-CB 3.31Å; T238-H242 WeakPolarHBondContact OG1-CB 3.2Å; T238-H242 PolarHBondContact OG1-N 2.98Å; T238-H242 VanDerWaalsContact OG1-N 3.07Å; T238-H242 PolarHBondContact OG1-O 3.26Å; T238-I244 HydrophobicContact CG2-CD1 4.43Å; T238-I244 HydrophobicContact CG2-CG1 4.4Å; T238-I244 HydrophobicContact CG2-CG2 3.83Å
239P87.1Confident88Confident107 Ų10764 Ų6470%0.69535%0.35SS*.THydrogen-bonded Turntrans-57.5-25-176.3-28.236.6000116F204F204-P239 HydrophobicContact CD2-CG 4.49Å
240D89.5Confident89.7Confident79 Ų7962.5 Ų62.542%0.42234%0.335SS..THydrogen-bonded Turntrans-94.73.2177.568.8-15.5000113.5S199 T238 H242S199-D240 VanDerWaalsContact CB-CG 3.49Å; S199-D240 WeakPolarHBondContact CB-OD1 3.33Å; S199-D240 WeakPolarHBondContact CB-OD2 3.34Å; S199-D240 PolarHBondContact OG-OD1 3.42Å; S199-D240 PolarHBondContact OG-OD2 2.96Å; T238-D240 PolarHBondContact O-N 2.89Å; T238-D240 VanDerWaalsContact O-N 3.09Å; T238-D240 PolarHBondContact OG1-OD1 2.74Å; D240-H242 IonicContact OD1-CE1 3.7Å; D240-H242 IonicContact OD1-CG 2.66Å; D240-H242 PolarHBondContact OD1-N 3.17Å; D240-H242 IonicContact OD1-ND1 3.77Å; D240-H242 PolarHBondContact OD1-ND1 3.5Å; D240-H242 IonicContact OD2-CE1 2.75Å; D240-H242 PolarHBondContact OD2-CE1 2.83Å; D240-H242 IonicContact OD2-ND1 3.03Å; D240-H242 PolarHBondContact OD2-ND1 2.94Å
241G92.8Very high91.1Very high30 Ų3057.6 Ų57.631%0.30930%0.3SS..SBendtrans101.8-6.1171.900000115.5Q237 T238Q237-G241 WeakPolarHBondContact CG-O 3.33Å; Q237-G241 VanDerWaalsContact NE2-CA 3.31Å; Q237-G241 PolarHBondContact NE2-O 3.05Å; T238-G241 PolarHBondContact O-N 3.18Å
242H94.5Very high92.1Very high69 Ų6957.8 Ų57.832%0.31930%0.3SS..  trans-68.7139.7177.9-60.897.2000111.7A196 Q237 T238 D240A196-H242 HydrophobicContact CB-CB 3.73Å; Q237-H242 WeakPolarHBondContact CA-O 3.45Å; T238-H242 PolarHBondContact N-O 2.92Å; T238-H242 WeakPolarHBondContact OG1-CA 3.37Å; T238-H242 VanDerWaalsContact OG1-CB 3.31Å; T238-H242 WeakPolarHBondContact OG1-CB 3.2Å; T238-H242 PolarHBondContact OG1-N 2.98Å; T238-H242 VanDerWaalsContact OG1-N 3.07Å; T238-H242 PolarHBondContact OG1-O 3.26Å; D240-H242 IonicContact OD1-CE1 3.7Å; D240-H242 IonicContact OD1-CG 2.66Å; D240-H242 PolarHBondContact OD1-N 3.17Å; D240-H242 IonicContact OD1-ND1 3.77Å; D240-H242 PolarHBondContact OD1-ND1 3.5Å; D240-H242 IonicContact OD2-CE1 2.75Å; D240-H242 PolarHBondContact OD2-CE1 2.83Å; D240-H242 IonicContact OD2-ND1 3.03Å; D240-H242 PolarHBondContact OD2-ND1 2.94Å
243I94.5Very high93.1Very high103 Ų10352.2 Ų52.253%0.52827%0.266SS..EExtended strand (participates in β ladder)trans-86.9127.3177.3-58.3-59.8000109.5V235 H236 Q237V235-I243 HydrophobicContact CG1-CG2 3.35Å; H236-I243 CarbonylContact O-C 3.23Å; H236-I243 WeakPolarHBondContact O-CA 3.21Å; Q237-I243 HydrophobicContact CB-CD1 4.08Å; Q237-I243 HydrophobicContact CG-CD1 4.06Å
244I94.5Very high93.8Very high1 Ų145.7 Ų45.71%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-115.6148171.459.4161.2000109.4H193 A196 I200 F204 L208 V235 H236 T238 L246H193-I244 HydrophobicContact CB-CG2 3.97Å; A196-I244 HydrophobicContact CB-CG2 3.7Å; I200-I244 HydrophobicContact CD1-CG2 4.27Å; I200-I244 HydrophobicContact CG1-CG2 4.5Å; F204-I244 HydrophobicContact CE1-CD1 3.63Å; F204-I244 HydrophobicContact CZ-CD1 4.16Å; L208-I244 HydrophobicContact CD1-CD1 3.51Å; V235-I244 WeakPolarHBondContact CA-O 3.22Å; H236-I244 HydrophobicContact CB-CD1 4.39Å; H236-I244 HydrophobicContact CB-CG1 4.03Å; H236-I244 PolarHBondContact N-O 3.25Å; H236-I244 WeakPolarHBondContact O-CG1 3.41Å; H236-I244 PolarHBondContact O-N 3.02Å; T238-I244 HydrophobicContact CG2-CD1 4.43Å; T238-I244 HydrophobicContact CG2-CG1 4.4Å; T238-I244 HydrophobicContact CG2-CG2 3.83Å; I244-L246 HydrophobicContact CD1-CD2 4.45Å
245R94.1Very high94.3Very high117 Ų11745.1 Ų45.144%0.44223%0.232SC..EExtended strand (participates in β ladder)trans-121.6124.8176.5179.2177.2-72.1-133.2-1.2109.9H193 N234 V235 T247H193-R245 PolarHBondContact CE1-N 2.84Å; H193-R245 PolarHBondContact CE1-O 2.81Å; H193-R245 PolarHBondContact NE2-N 3.04Å; H193-R245 PolarHBondContact NE2-O 3.49Å; N234-R245 CarbonylContact O-C 3.56Å; N234-R245 WeakPolarHBondContact O-CA 3.46Å; V235-R245 HydrophobicContact CG2-CG 4.37Å; R245-T247 HydrophobicContact CG-CG2 4.31Å
246L95.2Very high94.5Very high1 Ų143.1 Ų43.11%0.00522%0.22CC..  trans-79.9130.8177.7-53.3-175.9000111.8F185 L189 L208 F212 N234 H236 I244 E249 R250F185-L246 HydrophobicContact CZ-CD2 3.94Å; L189-L246 HydrophobicContact CD1-CD2 4.23Å; L189-L246 HydrophobicContact CD2-CD2 3.47Å; L189-L246 VanDerWaalsContact CD2-CD2 3.47Å; L189-L246 HydrophobicContact CG-CD2 4.46Å; L208-L246 HydrophobicContact CD1-CD2 4.41Å; F212-L246 HydrophobicContact CB-CD1 3.64Å; F212-L246 HydrophobicContact CD2-CD1 3.61Å; F212-L246 HydrophobicContact CE2-CD1 4.43Å; F212-L246 HydrophobicContact CG-CD1 3.71Å; N234-L246 HydrophobicContact CB-CB 4.1Å; N234-L246 WeakPolarHBondContact CB-O 3.21Å; N234-L246 PolarHBondContact ND2-O 2.74Å; N234-L246 PolarHBondContact O-N 2.92Å; H236-L246 WeakPolarHBondContact NE2-CD1 3.41Å; I244-L246 HydrophobicContact CD1-CD2 4.45Å; L246-E249 WeakPolarHBondContact CA-OE1 3.49Å; L246-R250 HydrophobicContact CB-CG 3.87Å; L246-R250 HydrophobicContact CD1-CG 4.43Å
247T93.7Very high94.7Very high49 Ų4941.6 Ų41.630%0.30121%0.213SC..  trans-132.8-119.4-179.9700000112.2R245 E249 R250R245-T247 HydrophobicContact CG-CG2 4.31Å; T247-E249 VanDerWaalsContact C-N 3.32Å; T247-E249 VanDerWaalsContact C-OE2 3.22Å; T247-E249 WeakPolarHBondContact CA-OE2 3.32Å; T247-E249 VanDerWaalsContact N-CD 3.26Å; T247-E249 PolarHBondContact N-OE1 3.44Å; T247-E249 PolarHBondContact N-OE2 3.49Å; T247-E249 PolarHBondContact O-N 2.94Å; T247-E249 PolarHBondContact OG1-OE2 3.08Å; T247-R250 WeakPolarHBondContact O-CG 3.44Å; T247-R250 PolarHBondContact O-N 3.22Å
248K94.2Very high94.9Very high61 Ų6135.5 Ų35.527%0.26518%0.184SC..THydrogen-bonded Turntrans-62.9-33.1-174.968.6-168.6174.4-164.20113.4E192 L226 R250 F251 M252E192-K248 WeakPolarHBondContact OE1-CE 3.34Å; E192-K248 IonicContact OE1-NZ 3.59Å; E192-K248 PolarHBondContact OE1-NZ 3.12Å; L226-K248 HydrophobicContact CD1-CB 3.66Å; K248-R250 PolarHBondContact O-N 2.91Å; K248-F251 HydrophobicContact CB-CE1 4.31Å; K248-F251 HydrophobicContact CB-CZ 4.14Å; K248-F251 WeakPolarHBondContact O-CD1 3.14Å; K248-F251 PolarHBondContact O-N 2.89Å; K248-F251 VanDerWaalsContact O-N 3.11Å; K248-M252 HydrophobicContact CB-CG 4.14Å; K248-M252 HydrophobicContact CG-CG 4.46Å; K248-M252 WeakPolarHBondContact O-CB 3.37Å; K248-M252 VanDerWaalsContact O-CG 3.26Å; K248-M252 WeakPolarHBondContact O-CG 3.47Å; K248-M252 PolarHBondContact O-N 3.03Å
249E95.5Very high95.1Very high0 Ų038.9 Ų38.90%020%0.197CC..Hα-helixtrans-58-24.7-177.763-83.1-172.900112.9F185 M188 L189 L246 T247 F251 A253F185-E249 HydrophobicContact CD2-CB 3.86Å; F185-E249 HydrophobicContact CD2-CG 3.84Å; F185-E249 WeakPolarHBondContact CD2-O 3.43Å; F185-E249 HydrophobicContact CE2-CB 3.98Å; F185-E249 HydrophobicContact CE2-CG 3.45Å; F185-E249 VanDerWaalsContact CE2-CG 3.45Å; F185-E249 HydrophobicContact CZ-CG 4.33Å; M188-E249 HydrophobicContact CB-CB 3.69Å; M188-E249 HydrophobicContact CG-CB 4.36Å; M188-E249 HydrophobicContact SD-CB 3.77Å; L189-E249 HydrophobicContact CD2-CG 3.72Å; L189-E249 VanDerWaalsContact CD2-OE1 3.24Å; L189-E249 WeakPolarHBondContact CD2-OE1 3.35Å; L189-E249 HydrophobicContact CG-CG 4.19Å; L246-E249 WeakPolarHBondContact CA-OE1 3.49Å; T247-E249 VanDerWaalsContact C-N 3.32Å; T247-E249 VanDerWaalsContact C-OE2 3.22Å; T247-E249 WeakPolarHBondContact CA-OE2 3.32Å; T247-E249 VanDerWaalsContact N-CD 3.26Å; T247-E249 PolarHBondContact N-OE1 3.44Å; T247-E249 PolarHBondContact N-OE2 3.49Å; T247-E249 PolarHBondContact O-N 2.94Å; T247-E249 PolarHBondContact OG1-OE2 3.08Å; E249-F251 VanDerWaalsContact C-N 3.27Å; E249-F251 PolarHBondContact O-N 3.45Å; E249-A253 VanDerWaalsContact O-CB 3.28Å; E249-A253 WeakPolarHBondContact O-CB 3.37Å; E249-A253 PolarHBondContact O-N 2.64Å; E249-A253 VanDerWaalsContact O-N 3.07Å
250R96.3Very high95.6Very high52 Ų5233.8 Ų33.820%0.19616%0.164CC..Hα-helixtrans-58.5-36.4176.1-67.3179.357.8-159-14.8113.3F212 C213 F214 N234 L246 T247 K248 P254F212-R250 PolarHBondContact O-NE 3.04Å; F212-R250 PolarHBondContact O-NH2 3.16Å; F212-R250 VanDerWaalsContact O-NH2 3.1Å; C213-R250 CarbonylContact C-O 3.4Å; C213-R250 WeakPolarHBondContact CA-O 3.21Å; C213-R250 WeakPolarHBondContact CB-O 3.44Å; C213-R250 PolarHBondContact SG-O 3.19Å; F214-R250 HydrophobicContact CD1-CB 4.31Å; F214-R250 HydrophobicContact CE1-CB 3.99Å; F214-R250 PolarHBondContact N-O 3.09Å; N234-R250 PolarHBondContact ND2-NH1 3.47Å; N234-R250 PolarHBondContact OD1-NH1 3.17Å; L246-R250 HydrophobicContact CB-CG 3.87Å; L246-R250 HydrophobicContact CD1-CG 4.43Å; T247-R250 WeakPolarHBondContact O-CG 3.44Å; T247-R250 PolarHBondContact O-N 3.22Å; K248-R250 PolarHBondContact O-N 2.91Å; R250-P254 WeakPolarHBondContact O-CD 3.4Å
251F96.3Very high95.8Very high5 Ų537.2 Ų37.22%0.02217%0.171CC..Hα-helixtrans-112-25178.663.3-94.6000113.1F214 P219 E222 R223 L226 K248 E249 E255F214-F251 HydrophobicContact CD2-CB 4.33Å; F214-F251 HydrophobicContact CE1-CB 4.2Å; F214-F251 HydrophobicContact CE1-CD1 4.45Å; F214-F251 HydrophobicContact CE2-CB 3.89Å; F214-F251 HydrophobicContact CZ-CB 3.83Å; F214-F251 AromaticContact CZ-CD1 3.98Å; F214-F251 HydrophobicContact CZ-CD1 3.98Å; F214-F251 HydrophobicContact CZ-CG 4.3Å; F214-F251 WeakPolarHBondContact O-CA 3.33Å; P219-F251 HydrophobicContact CB-CD2 4.26Å; P219-F251 HydrophobicContact CB-CE2 4.34Å; P219-F251 WeakPolarHBondContact O-CE2 3.33Å; E222-F251 HydrophobicContact CB-CD1 4.16Å; E222-F251 HydrophobicContact CB-CD2 4.23Å; E222-F251 HydrophobicContact CB-CE1 3.8Å; E222-F251 HydrophobicContact CB-CE2 3.88Å; E222-F251 HydrophobicContact CB-CG 4.37Å; E222-F251 HydrophobicContact CB-CZ 3.66Å; R223-F251 HydrophobicContact CB-CZ 4.38Å; L226-F251 HydrophobicContact CD1-CZ 4.38Å; L226-F251 HydrophobicContact CD2-CE1 4.17Å; K248-F251 HydrophobicContact CB-CE1 4.31Å; K248-F251 HydrophobicContact CB-CZ 4.14Å; K248-F251 WeakPolarHBondContact O-CD1 3.14Å; K248-F251 PolarHBondContact O-N 2.89Å; K248-F251 VanDerWaalsContact O-N 3.11Å; E249-F251 VanDerWaalsContact C-N 3.27Å; E249-F251 PolarHBondContact O-N 3.45Å; F251-E255 PolarHBondContact O-N 3.37Å
252M96.1Very high95.7Very high53 Ų5342.8 Ų42.826%0.26119%0.189SC..Hα-helixtrans-72.7-34.2177.3-68.4-60.8-60.400112.9M188 K248 E255M188-M252 HydrophobicContact CE-CB 4.06Å; M188-M252 HydrophobicContact SD-CB 4.17Å; K248-M252 HydrophobicContact CB-CG 4.14Å; K248-M252 HydrophobicContact CG-CG 4.46Å; K248-M252 WeakPolarHBondContact O-CB 3.37Å; K248-M252 VanDerWaalsContact O-CG 3.26Å; K248-M252 WeakPolarHBondContact O-CG 3.47Å; K248-M252 PolarHBondContact O-N 3.03Å; M252-E255 WeakPolarHBondContact O-CB 3.33Å
253A97.7Very high95.5Very high0 Ų041.7 Ų41.70%019%0.192CC..THydrogen-bonded Turntrans-71-45.7179.500000112.8V181 L184 F185 M188 E249 E255 L256V181-A253 HydrophobicContact CG1-CB 4.26Å; L184-A253 HydrophobicContact CD2-CB 4.48Å; L184-A253 HydrophobicContact CG-CB 4.37Å; F185-A253 HydrophobicContact CB-CB 3.63Å; F185-A253 HydrophobicContact CD2-CB 4.01Å; F185-A253 HydrophobicContact CG-CB 4.32Å; M188-A253 HydrophobicContact SD-CB 4.19Å; E249-A253 VanDerWaalsContact O-CB 3.28Å; E249-A253 WeakPolarHBondContact O-CB 3.37Å; E249-A253 PolarHBondContact O-N 2.64Å; E249-A253 VanDerWaalsContact O-N 3.07Å; A253-E255 PolarHBondContact O-N 2.93Å; A253-L256 WeakPolarHBondContact O-CB 3.4Å; A253-L256 PolarHBondContact O-N 3.47Å
254P98.3Very high95.4Very high0 Ų039.3 Ų39.30%019%0.193CC..G310 helixtrans-65-23.2174.4-23.935.9000114.3V181 C213 I215 R250 L256 L257 F303V181-P254 HydrophobicContact CG1-CB 4.39Å; V181-P254 HydrophobicContact CG1-CG 4.14Å; C213-P254 HydrophobicContact CB-CG 3.71Å; I215-P254 HydrophobicContact CG1-CB 3.75Å; R250-P254 WeakPolarHBondContact O-CD 3.4Å; P254-L256 PolarHBondContact O-N 3.02Å; P254-L256 VanDerWaalsContact O-N 3.07Å; P254-L257 WeakPolarHBondContact O-CB 3.49Å; P254-L257 PolarHBondContact O-N 3.25Å; P254-F303 HydrophobicContact CB-CD2 4.26Å; P254-F303 HydrophobicContact CB-CE2 4.23Å; P254-F303 HydrophobicContact CB-CG 4.47Å; P254-F303 HydrophobicContact CB-CZ 4.4Å; P254-F303 HydrophobicContact CG-CD1 4.3Å; P254-F303 HydrophobicContact CG-CE1 4.05Å; P254-F303 HydrophobicContact CG-CE2 4.47Å; P254-F303 HydrophobicContact CG-CZ 4.14Å
255E97.3Very high95.3Very high7 Ų742.3 Ų42.33%0.03321%0.208CC..G310 helixtrans-56.5-23.9175.4-166.361.9-169.300112.7F251 M252 A253 L257 F258 Y259 R309F251-E255 PolarHBondContact O-N 3.37Å; M252-E255 WeakPolarHBondContact O-CB 3.33Å; A253-E255 PolarHBondContact O-N 2.93Å; E255-L257 PolarHBondContact O-N 3.39Å; E255-F258 PolarHBondContact O-N 3.14Å; E255-Y259 HydrophobicContact CG-CD2 4.33Å; E255-Y259 PolarHBondContact O-N 3.28Å; E255-Y259 WeakPolarHBondContact OE1-CD2 3.46Å; E255-Y259 WeakPolarHBondContact OE1-CE2 3.49Å; E255-R309 VanDerWaalsContact CD-NH1 3.31Å; E255-R309 IonicContact OE1-CZ 3.19Å; E255-R309 VanDerWaalsContact OE1-CZ 3.29Å; E255-R309 IonicContact OE1-NH1 2.68Å; E255-R309 PolarHBondContact OE1-NH1 3.28Å; E255-R309 IonicContact OE1-NH2 3.17Å; E255-R309 PolarHBondContact OE1-NH2 3.38Å; E255-R309 IonicContact OE2-CZ 3.29Å; E255-R309 IonicContact OE2-NH1 2.74Å; E255-R309 PolarHBondContact OE2-NH1 3.16Å; E255-R309 IonicContact OE2-NH2 2.68Å
256L97.8Very high95.1Very high8 Ų842.5 Ų42.54%0.04222%0.218CC..G310 helixtrans-46.6-35.2170.5-177.670000113.3L176 H180 V181 L184 A253 P254 F258 P260 A263 L265L176-L256 HydrophobicContact CD1-CD2 3.96Å; L176-L256 HydrophobicContact CD1-CG 4.06Å; H180-L256 HydrophobicContact CB-CD2 3.85Å; V181-L256 HydrophobicContact CG2-CB 4.49Å; V181-L256 HydrophobicContact CG2-CD2 4.18Å; L184-L256 HydrophobicContact CD2-CB 4.01Å; L184-L256 HydrophobicContact CD2-CD1 4.16Å; L184-L256 HydrophobicContact CD2-CD2 4.29Å; L184-L256 HydrophobicContact CD2-CG 4.4Å; A253-L256 WeakPolarHBondContact O-CB 3.4Å; A253-L256 PolarHBondContact O-N 3.47Å; P254-L256 PolarHBondContact O-N 3.02Å; P254-L256 VanDerWaalsContact O-N 3.07Å; L256-F258 VanDerWaalsContact C-N 3.31Å; L256-F258 PolarHBondContact O-N 3.05Å; L256-P260 HydrophobicContact CD1-CB 4.36Å; L256-P260 VanDerWaalsContact O-CA 3.31Å; L256-P260 WeakPolarHBondContact O-CA 3.39Å; L256-P260 VanDerWaalsContact O-CB 3.31Å; L256-P260 WeakPolarHBondContact O-CB 3.15Å; L256-P260 VanDerWaalsContact O-CD 3.29Å; L256-P260 WeakPolarHBondContact O-CD 3.39Å; L256-A263 HydrophobicContact CD1-CB 3.47Å; L256-A263 VanDerWaalsContact CD1-CB 3.47Å; L256-L265 HydrophobicContact CD1-CD1 3.76Å; L256-L265 HydrophobicContact CD1-CG 4.36Å
257L98.2Very high94.9Very high0 Ų046.4 Ų46.40%026%0.259CS..G310 helixtrans-69.2-28.8179.9-61.9176.1000112.6V151 L176 V181 P254 E255 L271 F303 F306V151-L257 HydrophobicContact CG1-CD1 4.27Å; V151-L257 HydrophobicContact CG1-CD2 4.13Å; L176-L257 HydrophobicContact CD2-CD2 4.34Å; L176-L257 HydrophobicContact CG-CD2 4.3Å; V181-L257 HydrophobicContact CG2-CD1 4.34Å; V181-L257 HydrophobicContact CG2-CD2 4.04Å; V181-L257 HydrophobicContact CG2-CG 3.95Å; P254-L257 WeakPolarHBondContact O-CB 3.49Å; P254-L257 PolarHBondContact O-N 3.25Å; E255-L257 PolarHBondContact O-N 3.39Å; L257-L271 HydrophobicContact CB-CD1 3.82Å; L257-L271 HydrophobicContact CB-CG 4.31Å; L257-L271 WeakPolarHBondContact O-CG 3.28Å; L257-L271 PolarHBondContact O-N 3.42Å; L257-F303 HydrophobicContact CD1-CD2 4.38Å; L257-F303 HydrophobicContact CD1-CE2 4.36Å; L257-F306 HydrophobicContact CD1-CE2 4.28Å
258F97.9Very high94.9Very high0 Ų045.7 Ų45.70%026%0.255CS..THydrogen-bonded Turntrans-100.9-36.2-177.7-69.1-93.9000112.5I215 E255 L256 P260 G270 Q272 F306 R309 L310 E313I215-F258 HydrophobicContact CD1-CE2 3.71Å; I215-F258 HydrophobicContact CG1-CE2 4.32Å; I215-F258 HydrophobicContact CG2-CD2 4.41Å; I215-F258 HydrophobicContact CG2-CE2 4.01Å; E255-F258 PolarHBondContact O-N 3.14Å; L256-F258 VanDerWaalsContact C-N 3.31Å; L256-F258 PolarHBondContact O-N 3.05Å; F258-P260 VanDerWaalsContact C-CD 3.49Å; F258-G270 WeakPolarHBondContact O-CA 3.39Å; F258-Q272 VanDerWaalsContact CD1-OE1 3.28Å; F258-Q272 PolarHBondContact O-NE2 2.96Å; F258-Q272 PolarHBondContact O-OE1 2.98Å; F258-F306 HydrophobicContact CE2-CE2 4.48Å; F258-R309 HydrophobicContact CD1-CG 3.99Å; F258-R309 HydrophobicContact CD2-CG 4.4Å; F258-R309 HydrophobicContact CE1-CB 4.46Å; F258-R309 HydrophobicContact CE1-CG 3.75Å; F258-R309 HydrophobicContact CE2-CG 4.21Å; F258-R309 HydrophobicContact CG-CG 4.32Å; F258-R309 HydrophobicContact CZ-CB 4.27Å; F258-R309 HydrophobicContact CZ-CG 3.86Å; F258-L310 HydrophobicContact CE1-CB 4.14Å; F258-L310 HydrophobicContact CE1-CD1 4.17Å; F258-L310 HydrophobicContact CZ-CB 4.24Å; F258-E313 HydrophobicContact CD1-CG 4.19Å
259Y96.4Very high95Very high74 Ų7444.8 Ų44.829%0.2925%0.254SS..  trans-131.966.4178.2-60.3-59.4000112.3E255 R261 Q262 E313E255-Y259 HydrophobicContact CG-CD2 4.33Å; E255-Y259 PolarHBondContact O-N 3.28Å; E255-Y259 WeakPolarHBondContact OE1-CD2 3.46Å; E255-Y259 WeakPolarHBondContact OE1-CE2 3.49Å; Y259-R261 PolarHBondContact O-N 3.33Å; Y259-R261 VanDerWaalsContact O-N 3.12Å; Y259-Q262 PolarHBondContact O-N 3.45Å; Y259-E313 PolarHBondContact OH-OE1 3.23Å; Y259-E313 PolarHBondContact OH-OE2 3.1Å
260P96.6Very high95.1Very high1 Ų145 Ų451%0.00626%0.256CS..G310 helixtrans-59.7-29.3-176.622.3-33.2000113.8L176 L256 F258 Q262 A263 L265 T268L176-P260 HydrophobicContact CD2-CB 4.19Å; L256-P260 HydrophobicContact CD1-CB 4.36Å; L256-P260 VanDerWaalsContact O-CA 3.31Å; L256-P260 WeakPolarHBondContact O-CA 3.39Å; L256-P260 VanDerWaalsContact O-CB 3.31Å; L256-P260 WeakPolarHBondContact O-CB 3.15Å; L256-P260 VanDerWaalsContact O-CD 3.29Å; L256-P260 WeakPolarHBondContact O-CD 3.39Å; F258-P260 VanDerWaalsContact C-CD 3.49Å; P260-Q262 VanDerWaalsContact C-N 3.29Å; P260-Q262 PolarHBondContact O-N 3.33Å; P260-A263 PolarHBondContact O-N 3.37Å; P260-A263 VanDerWaalsContact O-N 3.1Å; P260-L265 HydrophobicContact CB-CB 4.01Å; P260-L265 HydrophobicContact CB-CD1 4.18Å; P260-L265 WeakPolarHBondContact O-CB 3.42Å; P260-L265 PolarHBondContact O-N 3.1Å; P260-L265 VanDerWaalsContact O-N 3.09Å; P260-T268 HydrophobicContact CB-CG2 3.97Å; P260-T268 HydrophobicContact CG-CG2 3.85Å; P260-T268 WeakPolarHBondContact CG-O 3.32Å
261R94.3Very high95.2Very high151 Ų15142.5 Ų42.557%0.5725%0.247SC*.G310 helixtrans-62.6-32.2177.2-61.1-172.1-176.9170.91.5113.3Y259 A263 G264Y259-R261 PolarHBondContact O-N 3.33Å; Y259-R261 VanDerWaalsContact O-N 3.12Å; R261-A263 PolarHBondContact O-N 2.85Å; R261-G264 PolarHBondContact O-N 3.42Å
262Q90.9Very high95.3Very high146 Ų14642.4 Ų42.468%0.68225%0.246SC*.G310 helixtrans-68.3-21.6177.4-66.3-179.56.700112.2Y259 P260Y259-Q262 PolarHBondContact O-N 3.45Å; P260-Q262 VanDerWaalsContact C-N 3.29Å; P260-Q262 PolarHBondContact O-N 3.33Å
263A91Very high95.3Very high46 Ų4643 Ų4338%0.3825%0.251SS..G310 helixtrans-9513.6172.400000113L184 L256 P260 R261L184-A263 HydrophobicContact CD2-CB 4.02Å; L256-A263 HydrophobicContact CD1-CB 3.47Å; L256-A263 VanDerWaalsContact CD1-CB 3.47Å; P260-A263 PolarHBondContact O-N 3.37Å; P260-A263 VanDerWaalsContact O-N 3.1Å; R261-A263 PolarHBondContact O-N 2.85Å
264G91.4Very high95.4Very high53 Ų5343.2 Ų43.255%0.54625%0.252SS..THydrogen-bonded Turntrans88.41.5177.600000115.7R261 N266R261-G264 PolarHBondContact O-N 3.42Å; G264-N266 VanDerWaalsContact C-N 3.31Å; G264-N266 PolarHBondContact O-N 3.39Å
265L92.4Very high95.4Very high64 Ų6443.2 Ų43.234%0.33525%0.252SS..  trans-85.168.4177.8-57.6-175.2000111.7L176 L256 P260 G267 T268L176-L265 HydrophobicContact CD1-CD1 3.77Å; L256-L265 HydrophobicContact CD1-CD1 3.76Å; L256-L265 HydrophobicContact CD1-CG 4.36Å; P260-L265 HydrophobicContact CB-CB 4.01Å; P260-L265 HydrophobicContact CB-CD1 4.18Å; P260-L265 WeakPolarHBondContact O-CB 3.42Å; P260-L265 PolarHBondContact O-N 3.1Å; P260-L265 VanDerWaalsContact O-N 3.09Å; L265-G267 VanDerWaalsContact C-N 3.27Å; L265-G267 PolarHBondContact O-N 2.91Å; L265-T268 PolarHBondContact O-N 3.19Å
266N89.1Confident95.3Very high121 Ų12145 Ų4565%0.64726%0.26SS*.THydrogen-bonded Turntrans-57.7-32.3-172.4-70-30000114.9G264 T268G264-N266 VanDerWaalsContact C-N 3.31Å; G264-N266 PolarHBondContact O-N 3.39Å; N266-T268 VanDerWaalsContact C-N 3.32Å
267G91.1Very high95.3Very high83 Ų8348.3 Ų48.386%0.85628%0.275SS*.THydrogen-bonded Turntrans-83.5-1.6177.800000114.9L265L265-G267 VanDerWaalsContact C-N 3.27Å; L265-G267 PolarHBondContact O-N 2.91Å
268T95.1Very high95.3Very high35 Ų3548.3 Ų48.322%0.21528%0.275CS..  trans-106.4142.3-176.8-50.90000110.4L176 P260 L265 N266L176-T268 HydrophobicContact CB-CG2 4.44Å; L176-T268 HydrophobicContact CD2-CG2 3.96Å; P260-T268 HydrophobicContact CB-CG2 3.97Å; P260-T268 HydrophobicContact CG-CG2 3.85Å; P260-T268 WeakPolarHBondContact CG-O 3.32Å; L265-T268 PolarHBondContact O-N 3.19Å; N266-T268 VanDerWaalsContact C-N 3.32Å
269T95.9Very high95.3Very high41 Ų4148.3 Ų48.325%0.25228%0.275SS..  trans-110.5139.7-177.6-65.30000109.4Q174 N273 I274Q174-T269 PolarHBondContact NE2-O 2.95Å; Q174-T269 PolarHBondContact OE1-O 3.49Å; Q174-T269 VanDerWaalsContact OE1-O 3.08Å; T269-N273 HydrophobicContact CG2-CB 3.36Å; T269-I274 HydrophobicContact CG2-CG2 3.79Å
270G97.7Very high95.3Very high4 Ų449.1 Ų49.14%0.04128%0.282CS..  trans-60.3152.6178.700000114.4F258 Q272 N273 I274F258-G270 WeakPolarHBondContact O-CA 3.39Å; G270-Q272 VanDerWaalsContact C-N 3.3Å; G270-Q272 PolarHBondContact O-N 3.27Å; G270-N273 PolarHBondContact O-N 2.93Å; G270-I274 PolarHBondContact O-N 3.21Å; G270-I274 VanDerWaalsContact O-N 3.14Å
271L98.3Very high95.4Very high0 Ų055.1 Ų55.10%031%0.308CS..Hα-helixtrans-50-46.2-179.2-76.2179.7000113.1V151 I158 L257 N273 I274 I275 F306V151-L271 HydrophobicContact CG2-CD1 3.92Å; V151-L271 HydrophobicContact CG2-CD2 4.25Å; I158-L271 HydrophobicContact CD1-CD2 4.43Å; L257-L271 HydrophobicContact CB-CD1 3.82Å; L257-L271 HydrophobicContact CB-CG 4.31Å; L257-L271 WeakPolarHBondContact O-CG 3.28Å; L257-L271 PolarHBondContact O-N 3.42Å; L271-N273 VanDerWaalsContact C-N 3.26Å; L271-N273 PolarHBondContact O-N 3.29Å; L271-I274 HydrophobicContact CD2-CD1 3.94Å; L271-I274 WeakPolarHBondContact O-CG1 3.18Å; L271-I274 PolarHBondContact O-N 2.9Å; L271-I275 WeakPolarHBondContact O-CB 3.09Å; L271-I275 WeakPolarHBondContact O-CD1 3.4Å; L271-I275 WeakPolarHBondContact O-CG1 3.12Å; L271-I275 PolarHBondContact O-N 2.88Å; L271-F306 HydrophobicContact CD1-CE2 3.89Å; L271-F306 HydrophobicContact CD1-CZ 3.77Å
272Q97.6Very high95.6Very high3 Ų348.4 Ų48.41%0.01428%0.284CS..Hα-helixtrans-57.2-39.1179.468.1-75.65.700113F258 G270 H276 L310 E313 L314 L317F258-Q272 VanDerWaalsContact CD1-OE1 3.28Å; F258-Q272 PolarHBondContact O-NE2 2.96Å; F258-Q272 PolarHBondContact O-OE1 2.98Å; G270-Q272 VanDerWaalsContact C-N 3.3Å; G270-Q272 PolarHBondContact O-N 3.27Å; Q272-H276 WeakPolarHBondContact O-CB 3.38Å; Q272-H276 PolarHBondContact O-N 3.33Å; Q272-L310 HydrophobicContact CB-CD1 4.4Å; Q272-E313 HydrophobicContact CB-CB 3.52Å; Q272-E313 HydrophobicContact CB-CG 4.28Å; Q272-E313 HydrophobicContact CG-CB 3.82Å; Q272-E313 HydrophobicContact CG-CG 4.23Å; Q272-L314 HydrophobicContact CB-CD2 4.47Å; Q272-L317 HydrophobicContact CB-CD1 3.97Å; Q272-L317 HydrophobicContact CG-CD1 3.94Å; Q272-L317 WeakPolarHBondContact O-CD1 3.5Å
273N97.5Very high95.8Very high66 Ų6644.3 Ų44.335%0.35327%0.271SS..Hα-helixtrans-77.8-41.3-176.4-73.8-34.9000110.8T269 G270 L271 I275 H276 E277 L317T269-N273 HydrophobicContact CG2-CB 3.36Å; G270-N273 PolarHBondContact O-N 2.93Å; L271-N273 VanDerWaalsContact C-N 3.26Å; L271-N273 PolarHBondContact O-N 3.29Å; N273-I275 VanDerWaalsContact C-N 3.29Å; N273-I275 PolarHBondContact O-N 3.28Å; N273-H276 PolarHBondContact O-N 3.39Å; N273-E277 WeakPolarHBondContact O-CB 3.4Å; N273-E277 PolarHBondContact O-N 2.86Å; N273-L317 WeakPolarHBondContact OD1-CD1 3.12Å
274I97.8Very high96Very high5 Ų545.8 Ų45.83%0.02628%0.283CS..Hα-helixtrans-69.1-29.7175.460.6169.5000112.6I158 R172 Q174 T269 G270 L271 S278I158-I274 HydrophobicContact CD1-CD1 4.12Å; I158-I274 HydrophobicContact CD1-CG1 4.47Å; I158-I274 HydrophobicContact CG1-CD1 3.59Å; I158-I274 HydrophobicContact CG1-CG1 3.85Å; R172-I274 HydrophobicContact CB-CB 4.41Å; Q174-I274 HydrophobicContact CG-CD1 4.09Å; T269-I274 HydrophobicContact CG2-CG2 3.79Å; G270-I274 PolarHBondContact O-N 3.21Å; G270-I274 VanDerWaalsContact O-N 3.14Å; L271-I274 HydrophobicContact CD2-CD1 3.94Å; L271-I274 WeakPolarHBondContact O-CG1 3.18Å; L271-I274 PolarHBondContact O-N 2.9Å; I274-S278 VanDerWaalsContact O-CB 3.27Å; I274-S278 WeakPolarHBondContact O-CB 3.36Å; I274-S278 PolarHBondContact O-N 3.38Å
275I98.3Very high96.2Very high0 Ų048.9 Ų48.90%029%0.287CS..Hα-helixtrans-65.1-51.8172.3-75.4163.2000110.2L147 V149 I158 L271 N273 E277 S278 I279 L310 L314L147-I275 HydrophobicContact CD2-CB 4.38Å; L147-I275 HydrophobicContact CD2-CG1 4.32Å; L147-I275 HydrophobicContact CD2-CG2 3.53Å; V149-I275 HydrophobicContact CB-CD1 4.46Å; V149-I275 HydrophobicContact CG1-CD1 3.96Å; V149-I275 HydrophobicContact CG2-CD1 3.59Å; V149-I275 HydrophobicContact CG2-CG1 3.96Å; I158-I275 HydrophobicContact CD1-CD1 4.11Å; I158-I275 HydrophobicContact CD1-CG1 3.62Å; I158-I275 HydrophobicContact CG1-CG1 3.93Å; I158-I275 HydrophobicContact CG2-CG1 3.87Å; L271-I275 WeakPolarHBondContact O-CB 3.09Å; L271-I275 WeakPolarHBondContact O-CD1 3.4Å; L271-I275 WeakPolarHBondContact O-CG1 3.12Å; L271-I275 PolarHBondContact O-N 2.88Å; N273-I275 VanDerWaalsContact C-N 3.29Å; N273-I275 PolarHBondContact O-N 3.28Å; I275-E277 VanDerWaalsContact C-N 3.33Å; I275-E277 PolarHBondContact O-N 3.06Å; I275-S278 WeakPolarHBondContact O-CB 3.29Å; I275-S278 PolarHBondContact O-N 3.46Å; I275-I279 HydrophobicContact CG2-CD1 4.26Å; I275-I279 WeakPolarHBondContact O-CG1 3.31Å; I275-I279 PolarHBondContact O-N 3.38Å; I275-I279 VanDerWaalsContact O-N 3.08Å; I275-L310 HydrophobicContact CD1-CD1 3.6Å; I275-L310 HydrophobicContact CD1-CD2 3.94Å; I275-L310 HydrophobicContact CD1-CG 4.38Å; I275-L314 HydrophobicContact CB-CD2 4.09Å; I275-L314 HydrophobicContact CG2-CD1 3.99Å; I275-L314 HydrophobicContact CG2-CD2 3.57Å; I275-L314 HydrophobicContact CG2-CG 4.43Å
276H97Very high96.5Very high44 Ų4446.8 Ų46.820%0.20428%0.276CS..Hα-helixtrans-57.5-47.5176.3-176.182.6000111.2Q272 N273 S278 I279 Q280 Y291 L317Q272-H276 WeakPolarHBondContact O-CB 3.38Å; Q272-H276 PolarHBondContact O-N 3.33Å; N273-H276 PolarHBondContact O-N 3.39Å; H276-S278 VanDerWaalsContact C-N 3.35Å; H276-S278 PolarHBondContact O-N 3.42Å; H276-I279 PolarHBondContact O-N 3.06Å; H276-Q280 PolarHBondContact CE1-NE2 3.15Å; H276-Q280 WeakPolarHBondContact O-CG 3.31Å; H276-Q280 PolarHBondContact O-N 2.89Å; H276-Y291 PolarHBondContact CE1-OH 3.45Å; H276-Y291 PolarHBondContact ND1-OH 2.72Å; H276-L317 HydrophobicContact CB-CB 4.46Å; H276-L317 HydrophobicContact CB-CD1 4.03Å; H276-L317 PolarHBondContact CE1-O 3.25Å
277E97.1Very high96.8Very high78 Ų7842 Ų4236%0.36425%0.25SS..Hα-helixtrans-59-42.9177.8-167-162145.900112.7R172 N273 I275 I279 Q280 K281R172-E277 IonicContact CZ-OE1 2.68Å; R172-E277 VanDerWaalsContact CZ-OE1 3.24Å; R172-E277 VanDerWaalsContact NE-CD 3.35Å; R172-E277 IonicContact NE-OE1 3.44Å; R172-E277 PolarHBondContact NE-OE1 3.37Å; R172-E277 IonicContact NE-OE2 2.72Å; R172-E277 IonicContact NH2-OE1 3.36Å; R172-E277 PolarHBondContact NH2-OE1 3.43Å; N273-E277 WeakPolarHBondContact O-CB 3.4Å; N273-E277 PolarHBondContact O-N 2.86Å; I275-E277 VanDerWaalsContact C-N 3.33Å; I275-E277 PolarHBondContact O-N 3.06Å; E277-I279 PolarHBondContact O-N 3.28Å; E277-Q280 PolarHBondContact O-N 2.91Å; E277-K281 WeakPolarHBondContact O-CG 3.48Å; E277-K281 PolarHBondContact O-N 2.99Å; E277-K281 VanDerWaalsContact O-N 3.1Å
278S98.4Very high97.1Very high0 Ų041.1 Ų41.10%023%0.229CC..Hα-helixtrans-58.7-46.1176.5-179.80000111.4P160 A170 I274 I275 H276 K281 C282P160-S278 WeakPolarHBondContact CD-OG 3.29Å; A170-S278 WeakPolarHBondContact CB-O 3.24Å; A170-S278 WeakPolarHBondContact O-CB 3.46Å; A170-S278 PolarHBondContact O-OG 3.41Å; I274-S278 VanDerWaalsContact O-CB 3.27Å; I274-S278 WeakPolarHBondContact O-CB 3.36Å; I274-S278 PolarHBondContact O-N 3.38Å; I275-S278 WeakPolarHBondContact O-CB 3.29Å; I275-S278 PolarHBondContact O-N 3.46Å; H276-S278 VanDerWaalsContact C-N 3.35Å; H276-S278 PolarHBondContact O-N 3.42Å; S278-K281 PolarHBondContact O-N 3.23Å; S278-C282 PolarHBondContact O-SG 3.32Å; S278-C282 VanDerWaalsContact O-SG 3.39Å
279I97.7Very high97.2Very high0 Ų041.9 Ų41.90%023%0.234CC..Hα-helixtrans-64.8-42.9176.8-62.5171.8000110.9L147 I275 H276 E277 K281 C282 H287 L290 Y291L147-I279 HydrophobicContact CD1-CG1 4.2Å; L147-I279 HydrophobicContact CD2-CD1 4.15Å; L147-I279 HydrophobicContact CD2-CG1 4.22Å; I275-I279 HydrophobicContact CG2-CD1 4.26Å; I275-I279 WeakPolarHBondContact O-CG1 3.31Å; I275-I279 PolarHBondContact O-N 3.38Å; I275-I279 VanDerWaalsContact O-N 3.08Å; H276-I279 PolarHBondContact O-N 3.06Å; E277-I279 PolarHBondContact O-N 3.28Å; I279-K281 PolarHBondContact O-N 3.46Å; I279-C282 VanDerWaalsContact O-CB 3.29Å; I279-C282 WeakPolarHBondContact O-CB 3.49Å; I279-C282 PolarHBondContact O-N 2.91Å; I279-H287 HydrophobicContact CG2-CB 4.17Å; I279-H287 PolarHBondContact O-CD2 2.96Å; I279-H287 PolarHBondContact O-NE2 2.99Å; I279-L290 HydrophobicContact CD1-CB 4.3Å; I279-L290 HydrophobicContact CG1-CB 4.06Å; I279-L290 HydrophobicContact CG1-CD1 4.38Å; I279-L290 HydrophobicContact CG2-CB 4.34Å; I279-L290 HydrophobicContact CG2-CD1 4.25Å; I279-Y291 HydrophobicContact CB-CE2 4.36Å; I279-Y291 HydrophobicContact CD1-CD1 3.66Å; I279-Y291 HydrophobicContact CD1-CD2 3.96Å; I279-Y291 HydrophobicContact CD1-CE1 3.53Å; I279-Y291 HydrophobicContact CD1-CE2 3.86Å; I279-Y291 HydrophobicContact CD1-CG 3.9Å; I279-Y291 HydrophobicContact CG2-CD2 4.05Å; I279-Y291 HydrophobicContact CG2-CE2 3.61Å
280Q96.7Very high97.3Very high90 Ų9040 Ų4042%0.42122%0.223SC..Hα-helixtrans-64.1-20.7178.7-66.4-51.7-35.100113.9H276 E277 C282 H287H276-Q280 PolarHBondContact CE1-NE2 3.15Å; H276-Q280 WeakPolarHBondContact O-CG 3.31Å; H276-Q280 PolarHBondContact O-N 2.89Å; E277-Q280 PolarHBondContact O-N 2.91Å; Q280-C282 VanDerWaalsContact C-N 3.33Å; Q280-H287 PolarHBondContact OE1-CE1 2.94Å
281K97.9Very high97.3Very high128 Ų12839.9 Ų39.956%0.55722%0.221SC*.THydrogen-bonded Turntrans-81.9-11.9172.2-70.9-71.2-179.2-177.90113.8A170 E277 S278 I279A170-K281 HydrophobicContact CB-CB 3.75Å; E277-K281 WeakPolarHBondContact O-CG 3.48Å; E277-K281 PolarHBondContact O-N 2.99Å; E277-K281 VanDerWaalsContact O-N 3.1Å; S278-K281 PolarHBondContact O-N 3.23Å; I279-K281 PolarHBondContact O-N 3.46Å
282C97.8Very high97.2Very high10 Ų1041.5 Ų41.57%0.06823%0.232CC..SBendtrans-85.3160.9172.2-580000110.3I167 A170 S278 I279 Q280 L286 H287 L290I167-C282 HydrophobicContact CD1-CB 4.39Å; A170-C282 WeakPolarHBondContact CB-SG 3.12Å; S278-C282 PolarHBondContact O-SG 3.32Å; S278-C282 VanDerWaalsContact O-SG 3.39Å; I279-C282 VanDerWaalsContact O-CB 3.29Å; I279-C282 WeakPolarHBondContact O-CB 3.49Å; I279-C282 PolarHBondContact O-N 2.91Å; Q280-C282 VanDerWaalsContact C-N 3.33Å; C282-L286 HydrophobicContact CB-CD1 4.46Å; C282-H287 PolarHBondContact O-NE2 3.47Å; C282-H287 VanDerWaalsContact O-NE2 3.11Å; C282-L290 HydrophobicContact CB-CD1 3.7Å; C282-L290 VanDerWaalsContact SG-CD1 3.6Å
283S96.4Very high97.2Very high60 Ų6043 Ų4342%0.4224%0.24SC..  trans-63.3145.1174.659.80000111.2D285 L286 H287S283-D285 WeakPolarHBondContact CB-OD1 3.36Å; S283-D285 PolarHBondContact O-N 3.27Å; S283-D285 PolarHBondContact OG-OD1 3.06Å; S283-L286 WeakPolarHBondContact O-CB 3.36Å; S283-L286 PolarHBondContact O-N 3.02Å; S283-L286 WeakPolarHBondContact OG-CD1 3.28Å; S283-L286 WeakPolarHBondContact OG-CG 3.29Å; S283-H287 PolarHBondContact O-CD2 2.9Å
284A95.2Very high97.2Very high77 Ų7739.9 Ų39.964%0.63622%0.224SC*.G310 helixtrans-61.5-28.7-170.500000113.8L286 H287A284-L286 VanDerWaalsContact C-N 3.25Å; A284-L286 PolarHBondContact O-N 3.47Å; A284-H287 WeakPolarHBondContact O-CB 3.47Å; A284-H287 PolarHBondContact O-N 2.87Å
285D96.2Very high97.2Very high117 Ų11739.7 Ų39.763%0.62622%0.222SC*.G310 helixtrans-64.5-26.4174.262-51.3000113.1S283S283-D285 WeakPolarHBondContact CB-OD1 3.36Å; S283-D285 PolarHBondContact O-N 3.27Å; S283-D285 PolarHBondContact OG-OD1 3.06Å
286L97.1Very high97.3Very high20 Ų2039.7 Ų39.711%0.10522%0.223CC..G310 helixtrans-83.4-18.7177.2-64.7178.3000113.2N162 I167 C282 S283 A284 T289 L290N162-L286 HydrophobicContact CB-CD1 4.36Å; N162-L286 HydrophobicContact CB-CD2 4.39Å; I167-L286 HydrophobicContact CD1-CD1 3.64Å; C282-L286 HydrophobicContact CB-CD1 4.46Å; S283-L286 WeakPolarHBondContact O-CB 3.36Å; S283-L286 PolarHBondContact O-N 3.02Å; S283-L286 WeakPolarHBondContact OG-CD1 3.28Å; S283-L286 WeakPolarHBondContact OG-CG 3.29Å; A284-L286 VanDerWaalsContact C-N 3.25Å; A284-L286 PolarHBondContact O-N 3.47Å; L286-T289 WeakPolarHBondContact O-CB 3.48Å; L286-T289 PolarHBondContact O-N 3.07Å; L286-T289 VanDerWaalsContact O-N 3.1Å; L286-L290 HydrophobicContact CB-CD1 4.12Å; L286-L290 HydrophobicContact CB-CG 4.34Å; L286-L290 WeakPolarHBondContact O-CG 3.26Å; L286-L290 PolarHBondContact O-N 3.1Å
287H97Very high97.3Very high21 Ų2137.7 Ų37.710%0.09721%0.214CC..Hα-helixtrans-55.3-47.1-174-66.7-168.2000112.8I279 Q280 C282 S283 A284 T289 L290 Y291I279-H287 HydrophobicContact CG2-CB 4.17Å; I279-H287 PolarHBondContact O-CD2 2.96Å; I279-H287 PolarHBondContact O-NE2 2.99Å; Q280-H287 PolarHBondContact OE1-CE1 2.94Å; C282-H287 PolarHBondContact O-NE2 3.47Å; C282-H287 VanDerWaalsContact O-NE2 3.11Å; S283-H287 PolarHBondContact O-CD2 2.9Å; A284-H287 WeakPolarHBondContact O-CB 3.47Å; A284-H287 PolarHBondContact O-N 2.87Å; H287-T289 VanDerWaalsContact C-N 3.31Å; H287-T289 PolarHBondContact O-N 3.03Å; H287-L290 PolarHBondContact O-N 3.31Å; H287-Y291 HydrophobicContact CB-CD2 4.45Å; H287-Y291 VanDerWaalsContact O-CD2 3.32Å; H287-Y291 WeakPolarHBondContact O-CD2 3.33Å; H287-Y291 PolarHBondContact O-N 3.35Å
288P96.1Very high97.2Very high65 Ų6534.4 Ų34.442%0.42220%0.201SC..Hα-helixtrans-57.6-42.7177.7-24.235.3000112.8S292P288-S292 VanDerWaalsContact O-CB 3.29Å; P288-S292 WeakPolarHBondContact O-CB 3.34Å; P288-S292 PolarHBondContact O-N 3.12Å; P288-S292 VanDerWaalsContact O-N 3.08Å; P288-S292 PolarHBondContact O-OG 2.95Å
289T97Very high97.1Very high50 Ų5036.3 Ų36.331%0.30722%0.22SC..Hα-helixtrans-65.2-44.9177.7-56.80000111.2L286 H287 S292 N293L286-T289 WeakPolarHBondContact O-CB 3.48Å; L286-T289 PolarHBondContact O-N 3.07Å; L286-T289 VanDerWaalsContact O-N 3.1Å; H287-T289 VanDerWaalsContact C-N 3.31Å; H287-T289 PolarHBondContact O-N 3.03Å; T289-S292 PolarHBondContact O-N 2.81Å; T289-S292 PolarHBondContact O-OG 3.39Å; T289-N293 WeakPolarHBondContact O-CB 3.35Å; T289-N293 PolarHBondContact O-N 3.33Å
290L98Very high97.2Very high3 Ų336.7 Ų36.72%0.01622%0.223CC..Hα-helixtrans-68.2-39.3-177.2-65.6175.8000112.6G146 L147 P160 I279 C282 L286 H287 I294G146-L290 WeakPolarHBondContact O-CD2 3.46Å; L147-L290 HydrophobicContact CB-CB 4.49Å; L147-L290 HydrophobicContact CB-CD2 4.34Å; P160-L290 HydrophobicContact CB-CD1 4.1Å; P160-L290 HydrophobicContact CB-CD2 3.91Å; I279-L290 HydrophobicContact CD1-CB 4.3Å; I279-L290 HydrophobicContact CG1-CB 4.06Å; I279-L290 HydrophobicContact CG1-CD1 4.38Å; I279-L290 HydrophobicContact CG2-CB 4.34Å; I279-L290 HydrophobicContact CG2-CD1 4.25Å; C282-L290 HydrophobicContact CB-CD1 3.7Å; C282-L290 VanDerWaalsContact SG-CD1 3.6Å; L286-L290 HydrophobicContact CB-CD1 4.12Å; L286-L290 HydrophobicContact CB-CG 4.34Å; L286-L290 WeakPolarHBondContact O-CG 3.26Å; L286-L290 PolarHBondContact O-N 3.1Å; H287-L290 PolarHBondContact O-N 3.31Å; L290-I294 VanDerWaalsContact O-CG1 3.22Å; L290-I294 WeakPolarHBondContact O-CG1 3.45Å
291Y97.3Very high97.2Very high0 Ų032.5 Ų32.50%020%0.203CC..Hα-helixtrans-73.1-33.4175.8-81.2-71.4000113.5H276 I279 H287 N318 R324 I325 F326H276-Y291 PolarHBondContact CE1-OH 3.45Å; H276-Y291 PolarHBondContact ND1-OH 2.72Å; I279-Y291 HydrophobicContact CB-CE2 4.36Å; I279-Y291 HydrophobicContact CD1-CD1 3.66Å; I279-Y291 HydrophobicContact CD1-CD2 3.96Å; I279-Y291 HydrophobicContact CD1-CE1 3.53Å; I279-Y291 HydrophobicContact CD1-CE2 3.86Å; I279-Y291 HydrophobicContact CD1-CG 3.9Å; I279-Y291 HydrophobicContact CG2-CD2 4.05Å; I279-Y291 HydrophobicContact CG2-CE2 3.61Å; H287-Y291 HydrophobicContact CB-CD2 4.45Å; H287-Y291 VanDerWaalsContact O-CD2 3.32Å; H287-Y291 WeakPolarHBondContact O-CD2 3.33Å; H287-Y291 PolarHBondContact O-N 3.35Å; Y291-N318 HydrophobicContact CE1-CB 4.33Å; Y291-R324 CarbonylContact C-O 3.59Å; Y291-I325 HydrophobicContact CD1-CD1 4.43Å; Y291-I325 HydrophobicContact CD1-CG1 3.91Å; Y291-I325 HydrophobicContact CG-CG1 4.46Å; Y291-I325 WeakPolarHBondContact O-CA 3.4Å; Y291-F326 PolarHBondContact O-N 3.05Å
292S96.6Very high97.2Very high34 Ų3428.8 Ų28.824%0.23819%0.189CC..Hα-helixtrans-86.4-10.5179.862.70000114.1P288 T289 R324 F326P288-S292 VanDerWaalsContact O-CB 3.29Å; P288-S292 WeakPolarHBondContact O-CB 3.34Å; P288-S292 PolarHBondContact O-N 3.12Å; P288-S292 VanDerWaalsContact O-N 3.08Å; P288-S292 PolarHBondContact O-OG 2.95Å; T289-S292 PolarHBondContact O-N 2.81Å; T289-S292 PolarHBondContact O-OG 3.39Å; S292-R324 PolarHBondContact N-O 3.28Å; S292-F326 CarbonylContact C-O 3.56Å; S292-F326 WeakPolarHBondContact O-CB 3.34Å
293N97.6Very high97.2Very high36 Ų3629.1 Ų29.119%0.19319%0.19CC..  trans-127.657.2176.2-70.4-28.5000111.7L143 G146 L147 T289 H328L143-N293 HydrophobicContact CD1-CB 4.21Å; G146-N293 CarbonylContact C-O 3.32Å; G146-N293 VanDerWaalsContact CA-O 3.22Å; G146-N293 WeakPolarHBondContact CA-O 3.44Å; L147-N293 PolarHBondContact N-O 3.43Å; T289-N293 WeakPolarHBondContact O-CB 3.35Å; T289-N293 PolarHBondContact O-N 3.33Å; N293-H328 PolarHBondContact OD1-NE2 3.12Å
294I98.5Very high97.2Very high0 Ų030.3 Ų30.30%020%0.196CC..EExtended strand (participates in β ladder)trans-82.4118.1171.4-59.7177.6000108.6L147 V149 L290 L314 I325 F326 I327 H328L147-I294 HydrophobicContact CB-CG1 4.35Å; L147-I294 HydrophobicContact CD2-CG1 4.37Å; L147-I294 CarbonylContact O-C 3.55Å; L147-I294 WeakPolarHBondContact O-CA 3.46Å; V149-I294 HydrophobicContact CG2-CG2 3.65Å; L290-I294 VanDerWaalsContact O-CG1 3.22Å; L290-I294 WeakPolarHBondContact O-CG1 3.45Å; I294-L314 HydrophobicContact CD1-CD1 3.47Å; I294-L314 VanDerWaalsContact CD1-CD1 3.47Å; I294-I325 HydrophobicContact CD1-CG2 4.37Å; I294-F326 PolarHBondContact N-O 3.25Å; I294-F326 VanDerWaalsContact N-O 3.12Å; I294-I327 HydrophobicContact CB-CG1 4.13Å; I294-I327 HydrophobicContact CD1-CG1 4.36Å; I294-I327 HydrophobicContact CG2-CG1 4.28Å; I294-I327 HydrophobicContact CG2-CG2 4.41Å; I294-I327 CarbonylContact O-C 3.45Å; I294-I327 WeakPolarHBondContact O-CA 3.38Å; I294-H328 PolarHBondContact O-N 3.11Å
295V98.3Very high97.3Very high0 Ų027.6 Ų27.60%018%0.176CC..EExtended strand (participates in β ladder)trans-104.5126.5179161.80000110.5A137 L138 Y141 L143 L147 V149 H328A137-V295 HydrophobicContact CB-CG1 4.47Å; L138-V295 HydrophobicContact CD2-CB 3.93Å; L138-V295 HydrophobicContact CD2-CG2 3.64Å; Y141-V295 HydrophobicContact CD2-CB 4.4Å; Y141-V295 HydrophobicContact CD2-CG1 3.47Å; Y141-V295 VanDerWaalsContact CD2-CG1 3.47Å; Y141-V295 HydrophobicContact CD2-CG2 4Å; Y141-V295 HydrophobicContact CE2-CB 4.46Å; Y141-V295 HydrophobicContact CE2-CG1 3.29Å; Y141-V295 HydrophobicContact CE2-CG2 4.47Å; Y141-V295 HydrophobicContact CG-CG1 4.28Å; Y141-V295 HydrophobicContact CG-CG2 4.03Å; L143-V295 HydrophobicContact CD1-CG2 3.81Å; L147-V295 PolarHBondContact O-N 3.42Å; V149-V295 PolarHBondContact N-O 2.88Å; V295-H328 HydrophobicContact CG2-CB 3.89Å
296L98.4Very high97.4Very high1 Ų122.1 Ų22.11%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-86.8128.6174-58.5-171.5000111.8Y141 V149 T301 F306 L310 I327 H328 K329 Q334Y141-L296 PolarHBondContact OH-O 3.26Å; V149-L296 HydrophobicContact CB-CD2 3.95Å; V149-L296 HydrophobicContact CG1-CD2 4.2Å; L296-T301 HydrophobicContact CB-CG2 4.27Å; L296-F306 HydrophobicContact CD1-CD1 3.75Å; L296-F306 HydrophobicContact CD1-CE1 4.06Å; L296-F306 HydrophobicContact CD2-CD1 4.35Å; L296-F306 HydrophobicContact CD2-CE1 3.8Å; L296-L310 HydrophobicContact CD2-CD2 4.1Å; L296-I327 HydrophobicContact CD1-CG2 3.69Å; L296-I327 HydrophobicContact CD2-CG2 3.81Å; L296-I327 HydrophobicContact CG-CG2 3.53Å; L296-H328 PolarHBondContact N-O 3Å; L296-K329 HydrophobicContact CD1-CB 4.28Å; L296-Q334 HydrophobicContact CB-CG 4.22Å
297S97.3Very high97.4Very high2 Ų221.7 Ų21.71%0.01415%0.145CC..EExtended strand (participates in β ladder)trans-130.9155.2175.1175.30000111.3V149 D150 V151 T301V149-S297 PolarHBondContact O-N 3.42Å; D150-S297 WeakPolarHBondContact CA-O 3.47Å; D150-S297 WeakPolarHBondContact OD1-CB 3.48Å; D150-S297 PolarHBondContact OD1-OG 3.46Å; V151-S297 PolarHBondContact N-O 3.35Å; S297-T301 WeakPolarHBondContact O-CG2 3.44Å; S297-T301 PolarHBondContact O-OG1 3.09Å
298G96.6Very high97.5Very high9 Ų924.4 Ų24.49%0.09316%0.157CC..SBendtrans88.2153171.700000113.6D150 V151 S300 T301 Q334D150-G298 PolarHBondContact OD1-N 2.84Å; V151-G298 CarbonylContact O-C 3.56Å; G298-S300 VanDerWaalsContact C-N 3.31Å; G298-S300 PolarHBondContact O-N 2.5Å; G298-T301 PolarHBondContact O-N 3.05Å; G298-T301 PolarHBondContact O-OG1 3.21Å; G298-Q334 PolarHBondContact N-O 3.07Å; G298-Q334 VanDerWaalsContact N-O 3.08Å
299G96.3Very high97.5Very high39 Ų3921.5 Ų21.540%0.40214%0.138SC..G310 helixtrans-64.6-28.1-168.100000115.1V151 T301 L302V151-G299 PolarHBondContact O-N 2.8Å; G299-T301 VanDerWaalsContact C-N 3.25Å; G299-T301 PolarHBondContact O-N 3.15Å; G299-L302 VanDerWaalsContact O-CB 3.28Å; G299-L302 WeakPolarHBondContact O-CB 3.21Å; G299-L302 WeakPolarHBondContact O-CG 3.29Å; G299-L302 PolarHBondContact O-N 3.04Å
300S98Very high97.6Very high8 Ų819.1 Ų19.16%0.05612%0.123CC..G310 helixtrans-77.5-11.9-179.7-53.60000112.8V151 G152 G178 G298 L302 F303V151-S300 VanDerWaalsContact CG1-CB 3.4Å; V151-S300 VanDerWaalsContact O-CB 3.27Å; V151-S300 WeakPolarHBondContact O-CB 3.37Å; V151-S300 PolarHBondContact O-N 2.78Å; V151-S300 PolarHBondContact O-OG 2.81Å; G152-S300 PolarHBondContact O-OG 2.9Å; G178-S300 WeakPolarHBondContact CA-OG 3.37Å; G178-S300 PolarHBondContact N-OG 3.42Å; G298-S300 VanDerWaalsContact C-N 3.31Å; G298-S300 PolarHBondContact O-N 2.5Å; S300-L302 PolarHBondContact O-N 3.42Å; S300-F303 WeakPolarHBondContact O-CD2 3.38Å
301T98.2Very high97.5Very high3 Ų321.8 Ų21.82%0.01814%0.136CC..G310 helixtrans-77.1-6.9170.868.90000113.1V151 L296 S297 G298 G299 F303 F306 Q334V151-T301 HydrophobicContact CB-CG2 3.84Å; V151-T301 HydrophobicContact CG2-CG2 3.8Å; L296-T301 HydrophobicContact CB-CG2 4.27Å; S297-T301 WeakPolarHBondContact O-CG2 3.44Å; S297-T301 PolarHBondContact O-OG1 3.09Å; G298-T301 PolarHBondContact O-N 3.05Å; G298-T301 PolarHBondContact O-OG1 3.21Å; G299-T301 VanDerWaalsContact C-N 3.25Å; G299-T301 PolarHBondContact O-N 3.15Å; T301-F303 VanDerWaalsContact C-N 3.31Å; T301-F306 HydrophobicContact CG2-CE1 4.01Å; T301-F306 HydrophobicContact CG2-CE2 4.3Å; T301-F306 HydrophobicContact CG2-CZ 3.89Å; T301-Q334 WeakPolarHBondContact OG1-CB 3.43Å
302L97.5Very high97.5Very high50 Ų5024.8 Ų24.826%0.26215%0.152SC..G310 helixtrans-80.1-7.3177.6-63.2174.3000113.8G299 S300 P304 Q334 K335G299-L302 VanDerWaalsContact O-CB 3.28Å; G299-L302 WeakPolarHBondContact O-CB 3.21Å; G299-L302 WeakPolarHBondContact O-CG 3.29Å; G299-L302 PolarHBondContact O-N 3.04Å; S300-L302 PolarHBondContact O-N 3.42Å; L302-P304 WeakPolarHBondContact O-CD 3.44Å; L302-Q334 HydrophobicContact CD2-CB 4.02Å; L302-Q334 HydrophobicContact CD2-CG 4.36Å; L302-K335 HydrophobicContact CD1-CB 3.98Å; L302-K335 HydrophobicContact CD1-CD 3.86Å; L302-K335 HydrophobicContact CD1-CG 3.87Å
303F97.8Very high97.5Very high17 Ų1723.9 Ų23.98%0.07514%0.144CC..SBendtrans-55127.5174.4-78-56.9000110.1V181 K209 C213 I215 P254 L257 S300 T301 G305 F306V181-F303 HydrophobicContact CG1-CE2 4.39Å; V181-F303 HydrophobicContact CG1-CZ 4.03Å; K209-F303 HydrophobicContact CD-CZ 3.97Å; K209-F303 HydrophobicContact CG-CE1 4.04Å; K209-F303 HydrophobicContact CG-CZ 3.93Å; C213-F303 HydrophobicContact CB-CD1 4.17Å; C213-F303 HydrophobicContact CB-CE1 3.67Å; I215-F303 HydrophobicContact CD1-CB 3.71Å; I215-F303 HydrophobicContact CD1-CD2 4.17Å; I215-F303 HydrophobicContact CD1-CG 4.29Å; I215-F303 HydrophobicContact CG1-CB 4.02Å; I215-F303 HydrophobicContact CG1-CG 4.46Å; P254-F303 HydrophobicContact CB-CD2 4.26Å; P254-F303 HydrophobicContact CB-CE2 4.23Å; P254-F303 HydrophobicContact CB-CG 4.47Å; P254-F303 HydrophobicContact CB-CZ 4.4Å; P254-F303 HydrophobicContact CG-CD1 4.3Å; P254-F303 HydrophobicContact CG-CE1 4.05Å; P254-F303 HydrophobicContact CG-CE2 4.47Å; P254-F303 HydrophobicContact CG-CZ 4.14Å; L257-F303 HydrophobicContact CD1-CD2 4.38Å; L257-F303 HydrophobicContact CD1-CE2 4.36Å; S300-F303 WeakPolarHBondContact O-CD2 3.38Å; T301-F303 VanDerWaalsContact C-N 3.31Å; F303-G305 PolarHBondContact O-N 3.09Å; F303-F306 HydrophobicContact CB-CB 4.4Å; F303-F306 WeakPolarHBondContact O-CB 3.38Å; F303-F306 PolarHBondContact O-N 3.1Å
304P97.2Very high97.5Very high84 Ų8422.1 Ų22.155%0.54514%0.135SC..THydrogen-bonded Turntrans-53.8135.2172.5-25.534.2000110.3F214 I215 L302 F306F214-P304 HydrophobicContact CB-CB 3.98Å; F214-P304 HydrophobicContact CB-CG 4.27Å; I215-P304 PolarHBondContact N-O 3.46Å; L302-P304 WeakPolarHBondContact O-CD 3.44Å; P304-F306 VanDerWaalsContact C-N 3.33Å; P304-F306 PolarHBondContact O-N 3.49Å
305G97.2Very high97.4Very high21 Ų2126.8 Ų26.822%0.21616%0.155CC..THydrogen-bonded Turntrans84.7-9.6-176.900000115.8F303 S307 Q308 R309F303-G305 PolarHBondContact O-N 3.09Å; G305-S307 PolarHBondContact O-N 2.88Å; G305-Q308 PolarHBondContact O-N 3.38Å; G305-R309 WeakPolarHBondContact O-CB 3.34Å; G305-R309 PolarHBondContact O-N 3.18Å
306F98.2Very high97.2Very high2 Ų233.1 Ų33.11%0.00918%0.183CC..Hα-helixtrans-51.7-55.2-178.7-174.7-76.6000112.4V151 I215 L257 F258 L271 L296 T301 F303 P304 Q308 R309 L310V151-F306 HydrophobicContact CG2-CE2 4.27Å; V151-F306 HydrophobicContact CG2-CZ 3.94Å; I215-F306 HydrophobicContact CD1-CB 3.68Å; I215-F306 HydrophobicContact CD1-CD2 3.26Å; I215-F306 HydrophobicContact CD1-CE2 4.18Å; I215-F306 HydrophobicContact CD1-CG 3.83Å; L257-F306 HydrophobicContact CD1-CE2 4.28Å; F258-F306 HydrophobicContact CE2-CE2 4.48Å; L271-F306 HydrophobicContact CD1-CE2 3.89Å; L271-F306 HydrophobicContact CD1-CZ 3.77Å; L296-F306 HydrophobicContact CD1-CD1 3.75Å; L296-F306 HydrophobicContact CD1-CE1 4.06Å; L296-F306 HydrophobicContact CD2-CD1 4.35Å; L296-F306 HydrophobicContact CD2-CE1 3.8Å; T301-F306 HydrophobicContact CG2-CE1 4.01Å; T301-F306 HydrophobicContact CG2-CE2 4.3Å; T301-F306 HydrophobicContact CG2-CZ 3.89Å; F303-F306 HydrophobicContact CB-CB 4.4Å; F303-F306 WeakPolarHBondContact O-CB 3.38Å; F303-F306 PolarHBondContact O-N 3.1Å; P304-F306 VanDerWaalsContact C-N 3.33Å; P304-F306 PolarHBondContact O-N 3.49Å; F306-Q308 PolarHBondContact O-N 3.07Å; F306-R309 PolarHBondContact O-N 2.86Å; F306-L310 HydrophobicContact CE1-CD2 3.9Å; F306-L310 WeakPolarHBondContact O-CB 3.46Å; F306-L310 PolarHBondContact O-N 3.24Å
307S97.2Very high97Very high11 Ų1135.8 Ų35.88%0.07720%0.197CC..Hα-helixtrans-62.1-42.6-176.648.20000112.5G305 L310 E311 I327 K329G305-S307 PolarHBondContact O-N 2.88Å; S307-L310 PolarHBondContact O-N 2.97Å; S307-E311 WeakPolarHBondContact O-CB 3.16Å; S307-E311 PolarHBondContact O-N 3.33Å; S307-I327 WeakPolarHBondContact O-CD1 3.44Å; S307-K329 PolarHBondContact OG-NZ 3.25Å
308Q97.4Very high96.6Very high77 Ų7736 Ų3636%0.3620%0.198SC..Hα-helixtrans-71.1-40.6-176.2-65.887.6-20.400110.8L217 G305 F306 E311 N312L217-Q308 HydrophobicContact CD2-CB 3.76Å; G305-Q308 PolarHBondContact O-N 3.38Å; F306-Q308 PolarHBondContact O-N 3.07Å; Q308-E311 PolarHBondContact O-N 3.03Å; Q308-N312 VanDerWaalsContact O-CG 3.31Å; Q308-N312 PolarHBondContact O-N 3.13Å
309R97.6Very high96Very high4 Ų439.7 Ų39.72%0.01522%0.222CC..Hα-helixtrans-61.6-48.4173.7177.759.2179.5-66.6-13.7110.7I215 S216 L217 E255 F258 G305 F306 E311 N312 E313I215-R309 HydrophobicContact CG2-CB 3.49Å; I215-R309 VanDerWaalsContact CG2-CB 3.49Å; I215-R309 HydrophobicContact CG2-CG 3.61Å; S216-R309 PolarHBondContact O-NH1 3.39Å; L217-R309 HydrophobicContact CD2-CB 4Å; E255-R309 VanDerWaalsContact CD-NH1 3.31Å; E255-R309 IonicContact OE1-CZ 3.19Å; E255-R309 VanDerWaalsContact OE1-CZ 3.29Å; E255-R309 IonicContact OE1-NH1 2.68Å; E255-R309 PolarHBondContact OE1-NH1 3.28Å; E255-R309 IonicContact OE1-NH2 3.17Å; E255-R309 PolarHBondContact OE1-NH2 3.38Å; E255-R309 IonicContact OE2-CZ 3.29Å; E255-R309 IonicContact OE2-NH1 2.74Å; E255-R309 PolarHBondContact OE2-NH1 3.16Å; E255-R309 IonicContact OE2-NH2 2.68Å; F258-R309 HydrophobicContact CD1-CG 3.99Å; F258-R309 HydrophobicContact CD2-CG 4.4Å; F258-R309 HydrophobicContact CE1-CB 4.46Å; F258-R309 HydrophobicContact CE1-CG 3.75Å; F258-R309 HydrophobicContact CE2-CG 4.21Å; F258-R309 HydrophobicContact CG-CG 4.32Å; F258-R309 HydrophobicContact CZ-CB 4.27Å; F258-R309 HydrophobicContact CZ-CG 3.86Å; G305-R309 WeakPolarHBondContact O-CB 3.34Å; G305-R309 PolarHBondContact O-N 3.18Å; F306-R309 PolarHBondContact O-N 2.86Å; R309-E311 PolarHBondContact O-N 3.28Å; R309-N312 PolarHBondContact O-N 3.49Å; R309-E313 IonicContact NE-OE1 2.84Å; R309-E313 PolarHBondContact NE-OE1 3.41Å; R309-E313 WeakPolarHBondContact O-CG 3.21Å; R309-E313 PolarHBondContact O-N 2.84Å
310L98Very high95.3Very high0 Ų043.5 Ų43.50%024%0.24CC..Hα-helixtrans-60.2-44.6179.4-179.458.7000112F258 Q272 I275 L296 F306 S307 N312 E313 L314 I327F258-L310 HydrophobicContact CE1-CB 4.14Å; F258-L310 HydrophobicContact CE1-CD1 4.17Å; F258-L310 HydrophobicContact CZ-CB 4.24Å; Q272-L310 HydrophobicContact CB-CD1 4.4Å; I275-L310 HydrophobicContact CD1-CD1 3.6Å; I275-L310 HydrophobicContact CD1-CD2 3.94Å; I275-L310 HydrophobicContact CD1-CG 4.38Å; L296-L310 HydrophobicContact CD2-CD2 4.1Å; F306-L310 HydrophobicContact CE1-CD2 3.9Å; F306-L310 WeakPolarHBondContact O-CB 3.46Å; F306-L310 PolarHBondContact O-N 3.24Å; S307-L310 PolarHBondContact O-N 2.97Å; L310-N312 VanDerWaalsContact C-N 3.34Å; L310-N312 PolarHBondContact O-N 3.49Å; L310-E313 PolarHBondContact O-N 3.05Å; L310-L314 HydrophobicContact CD1-CD1 3.93Å; L310-L314 HydrophobicContact CD1-CD2 4.47Å; L310-L314 HydrophobicContact CD1-CG 3.96Å; L310-L314 HydrophobicContact CG-CD1 3.94Å; L310-L314 HydrophobicContact CG-CG 4.37Å; L310-L314 WeakPolarHBondContact O-CB 3.37Å; L310-L314 VanDerWaalsContact O-CG 3.28Å; L310-L314 WeakPolarHBondContact O-CG 3.45Å; L310-L314 PolarHBondContact O-N 3.39Å; L310-I327 HydrophobicContact CB-CD1 4.03Å; L310-I327 HydrophobicContact CD2-CD1 4.02Å; L310-I327 HydrophobicContact CG-CD1 3.87Å
311E97.3Very high94.6Very high59 Ų5947.9 Ų47.928%0.27627%0.266SS..Hα-helixtrans-58.1-45.8176.1-170.8-176.9164.300111.9S307 Q308 R309 L314 K315 I325 I327S307-E311 WeakPolarHBondContact O-CB 3.16Å; S307-E311 PolarHBondContact O-N 3.33Å; Q308-E311 PolarHBondContact O-N 3.03Å; R309-E311 PolarHBondContact O-N 3.28Å; E311-L314 PolarHBondContact O-N 3.32Å; E311-K315 HydrophobicContact CG-CD 4.38Å; E311-K315 WeakPolarHBondContact O-CG 3.12Å; E311-K315 PolarHBondContact O-N 2.96Å; E311-K315 WeakPolarHBondContact OE1-CE 3.45Å; E311-K315 IonicContact OE1-NZ 3.29Å; E311-K315 PolarHBondContact OE1-NZ 2.88Å; E311-I325 HydrophobicContact CG-CG2 4.03Å; E311-I327 HydrophobicContact CB-CD1 3.85Å
312N96.4Very high93.8Very high64 Ų6454.2 Ų54.234%0.34230%0.299SS..Hα-helixtrans-63.1-43.7178.8-74-9.4000112.3Q308 R309 L310 K315 K316Q308-N312 VanDerWaalsContact O-CG 3.31Å; Q308-N312 PolarHBondContact O-N 3.13Å; R309-N312 PolarHBondContact O-N 3.49Å; L310-N312 VanDerWaalsContact C-N 3.34Å; L310-N312 PolarHBondContact O-N 3.49Å; N312-K315 PolarHBondContact O-N 3.46Å; N312-K316 WeakPolarHBondContact O-CG 3.2Å; N312-K316 PolarHBondContact O-N 3.42Å
313E96.9Very high93.4Very high14 Ų1453.7 Ų53.77%0.06530%0.296CS..Hα-helixtrans-65.4-41.5177.7-68.6-56.4128.500111.9F258 Y259 Q272 R309 L310 K316 L317F258-E313 HydrophobicContact CD1-CG 4.19Å; Y259-E313 PolarHBondContact OH-OE1 3.23Å; Y259-E313 PolarHBondContact OH-OE2 3.1Å; Q272-E313 HydrophobicContact CB-CB 3.52Å; Q272-E313 HydrophobicContact CB-CG 4.28Å; Q272-E313 HydrophobicContact CG-CB 3.82Å; Q272-E313 HydrophobicContact CG-CG 4.23Å; R309-E313 IonicContact NE-OE1 2.84Å; R309-E313 PolarHBondContact NE-OE1 3.41Å; R309-E313 WeakPolarHBondContact O-CG 3.21Å; R309-E313 PolarHBondContact O-N 2.84Å; L310-E313 PolarHBondContact O-N 3.05Å; E313-K316 WeakPolarHBondContact O-CB 3.5Å; E313-K316 PolarHBondContact O-N 2.97Å; E313-K316 IonicContact OE1-NZ 2.65Å; E313-K316 PolarHBondContact OE1-NZ 2.96Å; E313-L317 WeakPolarHBondContact O-CG 3.38Å; E313-L317 PolarHBondContact O-N 3.43Å; E313-L317 VanDerWaalsContact O-N 3.11Å
314L96.9Very high93.2Very high0 Ų061.9 Ų61.90%033%0.326CS..Hα-helixtrans-67.8-36.2177.8-67.7177.3000112.3Q272 I275 I294 L310 E311 K316 L317 N318 I325Q272-L314 HydrophobicContact CB-CD2 4.47Å; I275-L314 HydrophobicContact CB-CD2 4.09Å; I275-L314 HydrophobicContact CG2-CD1 3.99Å; I275-L314 HydrophobicContact CG2-CD2 3.57Å; I275-L314 HydrophobicContact CG2-CG 4.43Å; I294-L314 HydrophobicContact CD1-CD1 3.47Å; I294-L314 VanDerWaalsContact CD1-CD1 3.47Å; L310-L314 HydrophobicContact CD1-CD1 3.93Å; L310-L314 HydrophobicContact CD1-CD2 4.47Å; L310-L314 HydrophobicContact CD1-CG 3.96Å; L310-L314 HydrophobicContact CG-CD1 3.94Å; L310-L314 HydrophobicContact CG-CG 4.37Å; L310-L314 WeakPolarHBondContact O-CB 3.37Å; L310-L314 VanDerWaalsContact O-CG 3.28Å; L310-L314 WeakPolarHBondContact O-CG 3.45Å; L310-L314 PolarHBondContact O-N 3.39Å; E311-L314 PolarHBondContact O-N 3.32Å; L314-K316 VanDerWaalsContact C-N 3.29Å; L314-K316 PolarHBondContact O-N 3.07Å; L314-L317 PolarHBondContact O-N 3.46Å; L314-N318 VanDerWaalsContact O-CB 3.26Å; L314-N318 WeakPolarHBondContact O-CB 3.28Å; L314-N318 PolarHBondContact O-N 2.81Å; L314-I325 HydrophobicContact CB-CD1 3.74Å
315K95.8Very high93.2Very high98 Ų9858.6 Ų58.643%0.42630%0.304SS..Hα-helixtrans-59.5-40.5172.9-78.1174.6-178.3167.40111.8E311 N312 S319 I325E311-K315 HydrophobicContact CG-CD 4.38Å; E311-K315 WeakPolarHBondContact O-CG 3.12Å; E311-K315 PolarHBondContact O-N 2.96Å; E311-K315 WeakPolarHBondContact OE1-CE 3.45Å; E311-K315 IonicContact OE1-NZ 3.29Å; E311-K315 PolarHBondContact OE1-NZ 2.88Å; N312-K315 PolarHBondContact O-N 3.46Å; K315-S319 PolarHBondContact O-N 3.38Å; K315-I325 HydrophobicContact CB-CD1 4.29Å; K315-I325 HydrophobicContact CG-CD1 3.67Å
316K95.2Very high93.2Very high133 Ų13361.9 Ų61.958%0.57831%0.312SS*.Hα-helixtrans-63.6-45.3175.7-65.2168.7-169.6170.60111.3N312 E313 L314N312-K316 WeakPolarHBondContact O-CG 3.2Å; N312-K316 PolarHBondContact O-N 3.42Å; E313-K316 WeakPolarHBondContact O-CB 3.5Å; E313-K316 PolarHBondContact O-N 2.97Å; E313-K316 IonicContact OE1-NZ 2.65Å; E313-K316 PolarHBondContact OE1-NZ 2.96Å; L314-K316 VanDerWaalsContact C-N 3.29Å; L314-K316 PolarHBondContact O-N 3.07Å
317L94.4Very high93.2Very high57 Ų5762.7 Ų62.730%0.29832%0.316SS..Hα-helixtrans-72.4-25.7-178.7-67.5171.9000113.8Q272 N273 H276 E313 L314Q272-L317 HydrophobicContact CB-CD1 3.97Å; Q272-L317 HydrophobicContact CG-CD1 3.94Å; Q272-L317 WeakPolarHBondContact O-CD1 3.5Å; N273-L317 WeakPolarHBondContact OD1-CD1 3.12Å; H276-L317 HydrophobicContact CB-CB 4.46Å; H276-L317 HydrophobicContact CB-CD1 4.03Å; H276-L317 PolarHBondContact CE1-O 3.25Å; E313-L317 WeakPolarHBondContact O-CG 3.38Å; E313-L317 PolarHBondContact O-N 3.43Å; E313-L317 VanDerWaalsContact O-N 3.11Å; L314-L317 PolarHBondContact O-N 3.46Å
318N88.6Confident93.2Very high7 Ų763.9 Ų63.94%0.03732%0.321CS..THydrogen-bonded Turntrans-94.15.3-178.7-160.227.4000114.1Y291 L314 V321 N322 Q323 I325Y291-N318 HydrophobicContact CE1-CB 4.33Å; L314-N318 VanDerWaalsContact O-CB 3.26Å; L314-N318 WeakPolarHBondContact O-CB 3.28Å; L314-N318 PolarHBondContact O-N 2.81Å; N318-V321 PolarHBondContact O-N 2.92Å; N318-V321 VanDerWaalsContact O-N 3.09Å; N318-N322 PolarHBondContact O-N 3.28Å; N318-Q323 VanDerWaalsContact ND2-CB 3.33Å; N318-Q323 WeakPolarHBondContact ND2-CB 3.36Å; N318-Q323 PolarHBondContact ND2-N 3.36Å; N318-Q323 PolarHBondContact ND2-OE1 3.03Å; N318-I325 HydrophobicContact CB-CD1 4.44Å
319S84.5Confident93Very high86 Ų8664.9 Ų64.960%0.60132%0.324SS*.THydrogen-bonded Turntrans-78.5135173.6-172.20000110.3K315K315-S319 PolarHBondContact O-N 3.38Å
320P81.3Confident92.5Very high119 Ų11967 Ų6777%0.77333%0.333SS*.THydrogen-bonded Turncis-97.82.311.537.9-36.1000115.4N322P320-N322 PolarHBondContact O-N 2.75Å; P320-N322 VanDerWaalsContact O-N 3.15Å
321V82.6Confident91.9Very high100 Ų10075.8 Ų75.861%0.60637%0.374SS*.THydrogen-bonded Turntrans-57.6-32.4-178.1-166.80000111.2N318 Q323N318-V321 PolarHBondContact O-N 2.92Å; N318-V321 VanDerWaalsContact O-N 3.09Å; V321-Q323 HydrophobicContact CB-CG 4.29Å; V321-Q323 HydrophobicContact CG1-CG 3.54Å; V321-Q323 PolarHBondContact O-N 2.98Å
322N82.6Confident91.3Very high135 Ų13578.6 Ų78.672%0.72239%0.391SS*.  trans53.539.1171.8-162.231000113.1N318 P320N318-N322 PolarHBondContact O-N 3.28Å; P320-N322 PolarHBondContact O-N 2.75Å; P320-N322 VanDerWaalsContact O-N 3.15Å
323Q89.3Confident91.1Very high40 Ų4078.7 Ų78.719%0.18739%0.392CS..PPolyproline II helixtrans-65.1148.4176.8-52.7172.1-4800109.8N318 V321 I325N318-Q323 VanDerWaalsContact ND2-CB 3.33Å; N318-Q323 WeakPolarHBondContact ND2-CB 3.36Å; N318-Q323 PolarHBondContact ND2-N 3.36Å; N318-Q323 PolarHBondContact ND2-OE1 3.03Å; V321-Q323 HydrophobicContact CB-CG 4.29Å; V321-Q323 HydrophobicContact CG1-CG 3.54Å; V321-Q323 PolarHBondContact O-N 2.98Å; Q323-I325 PolarHBondContact O-N 3.42Å; Q323-I325 VanDerWaalsContact O-N 3.12Å
324R93.9Very high91Very high189 Ų18978.4 Ų78.471%0.71339%0.39SS*.PPolyproline II helixtrans-60.8117.8175.4-178.8178.9177.4179.7-1.7109.7Y291 S292Y291-R324 CarbonylContact C-O 3.59Å; S292-R324 PolarHBondContact N-O 3.28Å
325I96.5Very high90.9Very high14 Ų1482 Ų827%0.07241%0.406CS..PPolyproline II helixtrans-95.8129.6171.6-65.9162000108Y291 I294 E311 L314 K315 N318 Q323 I327Y291-I325 HydrophobicContact CD1-CD1 4.43Å; Y291-I325 HydrophobicContact CD1-CG1 3.91Å; Y291-I325 HydrophobicContact CG-CG1 4.46Å; Y291-I325 WeakPolarHBondContact O-CA 3.4Å; I294-I325 HydrophobicContact CD1-CG2 4.37Å; E311-I325 HydrophobicContact CG-CG2 4.03Å; L314-I325 HydrophobicContact CB-CD1 3.74Å; K315-I325 HydrophobicContact CB-CD1 4.29Å; K315-I325 HydrophobicContact CG-CD1 3.67Å; N318-I325 HydrophobicContact CB-CD1 4.44Å; Q323-I325 PolarHBondContact O-N 3.42Å; Q323-I325 VanDerWaalsContact O-N 3.12Å; I325-I327 HydrophobicContact CG2-CG1 4.26Å
326F97.4Very high91Very high91 Ų9179.3 Ų79.340%0.39939%0.393SS..  trans-141.6124.7173.1-176.9-93000110.1Y291 S292 I294 H328Y291-F326 PolarHBondContact O-N 3.05Å; S292-F326 CarbonylContact C-O 3.56Å; S292-F326 WeakPolarHBondContact O-CB 3.34Å; I294-F326 PolarHBondContact N-O 3.25Å; I294-F326 VanDerWaalsContact N-O 3.12Å; F326-H328 AromaticContact CD1-CD2 3.63Å; F326-H328 AromaticContact CD1-CE1 3.71Å; F326-H328 AromaticContact CD1-NE2 3.4Å; F326-H328 WeakPolarHBondContact CD1-NE2 3.33Å; F326-H328 AromaticContact CE1-CD2 3.83Å; F326-H328 AromaticContact CE1-CE1 3.4Å; F326-H328 WeakPolarHBondContact CE1-CE1 3.21Å; F326-H328 AromaticContact CE1-CG 3.76Å; F326-H328 AromaticContact CE1-ND1 3.5Å; F326-H328 WeakPolarHBondContact CE1-ND1 3.4Å; F326-H328 AromaticContact CE1-NE2 3.61Å
327I98Very high91.1Very high18 Ų1873 Ų739%0.09237%0.366CS..EExtended strand (participates in β ladder)trans-110.6109.3-175-58.4-179.7000108.4I294 L296 S307 L310 E311 I325I294-I327 HydrophobicContact CB-CG1 4.13Å; I294-I327 HydrophobicContact CD1-CG1 4.36Å; I294-I327 HydrophobicContact CG2-CG1 4.28Å; I294-I327 HydrophobicContact CG2-CG2 4.41Å; I294-I327 CarbonylContact O-C 3.45Å; I294-I327 WeakPolarHBondContact O-CA 3.38Å; L296-I327 HydrophobicContact CD1-CG2 3.69Å; L296-I327 HydrophobicContact CD2-CG2 3.81Å; L296-I327 HydrophobicContact CG-CG2 3.53Å; S307-I327 WeakPolarHBondContact O-CD1 3.44Å; L310-I327 HydrophobicContact CB-CD1 4.03Å; L310-I327 HydrophobicContact CD2-CD1 4.02Å; L310-I327 HydrophobicContact CG-CD1 3.87Å; E311-I327 HydrophobicContact CB-CD1 3.85Å; I325-I327 HydrophobicContact CG2-CG1 4.26Å
328H97.3Very high91.2Very high36 Ų3670.6 Ų70.617%0.16735%0.354CS..EExtended strand (participates in β ladder)trans-75.7127.8174.1-62-99.7000109.9Y141 N293 I294 V295 L296 F326Y141-H328 HydrophobicContact CD1-CB 3.69Å; Y141-H328 HydrophobicContact CE1-CB 3.85Å; Y141-H328 HydrophobicContact CG-CB 4.42Å; N293-H328 PolarHBondContact OD1-NE2 3.12Å; I294-H328 PolarHBondContact O-N 3.11Å; V295-H328 HydrophobicContact CG2-CB 3.89Å; L296-H328 PolarHBondContact N-O 3Å; F326-H328 AromaticContact CD1-CD2 3.63Å; F326-H328 AromaticContact CD1-CE1 3.71Å; F326-H328 AromaticContact CD1-NE2 3.4Å; F326-H328 WeakPolarHBondContact CD1-NE2 3.33Å; F326-H328 AromaticContact CE1-CD2 3.83Å; F326-H328 AromaticContact CE1-CE1 3.4Å; F326-H328 WeakPolarHBondContact CE1-CE1 3.21Å; F326-H328 AromaticContact CE1-CG 3.76Å; F326-H328 AromaticContact CE1-ND1 3.5Å; F326-H328 WeakPolarHBondContact CE1-ND1 3.4Å; F326-H328 AromaticContact CE1-NE2 3.61Å
329K93Very high91.7Very high99 Ų9970.3 Ų70.343%0.4335%0.352SS..  trans-139.2141.2170.266.2-179.8178-1760110.2L296 S307 Q334L296-K329 HydrophobicContact CD1-CB 4.28Å; S307-K329 PolarHBondContact OG-NZ 3.25Å; K329-Q334 HydrophobicContact CB-CG 4.24Å
330K87.7Confident92.3Very high49 Ų4967 Ų6721%0.21333%0.327CS..  trans-75.4165.5169.2-70.9-165.6166.8-175.10111.1A140 Y141 N332 D333 Q334 I340A140-K330 WeakPolarHBondContact O-CE 3.02Å; A140-K330 PolarHBondContact O-NZ 3.48Å; Y141-K330 HydrophobicContact CD1-CG 4.37Å; Y141-K330 HydrophobicContact CE1-CG 3.67Å; Y141-K330 HydrophobicContact CE2-CG 4.36Å; Y141-K330 PolarHBondContact OH-N 2.91Å; K330-N332 PolarHBondContact O-N 3.45Å; K330-D333 HydrophobicContact CB-CB 3.9Å; K330-D333 HydrophobicContact CD-CB 4.02Å; K330-Q334 PolarHBondContact O-OE1 2.66Å; K330-Q334 VanDerWaalsContact O-OE1 3.06Å; K330-I340 HydrophobicContact CD-CD1 4.33Å
331Q85.1Confident93.1Very high183 Ų18361.3 Ų61.386%0.85529%0.29SS*.SBendtrans-73.874.9173.1-66.8-176.4-2.600110.4D333Q331-D333 VanDerWaalsContact C-N 3.3Å; Q331-D333 PolarHBondContact O-N 2.91Å
332N84.2Confident93.8Very high119 Ų11956.5 Ų56.564%0.63626%0.261SS*.SBendtrans72.27.5-179.3-54.7-41.4000116.8K330 Q334K330-N332 PolarHBondContact O-N 3.45Å; N332-Q334 VanDerWaalsContact C-OE1 3.24Å
333D91.5Very high94.5Very high66 Ų6650.2 Ų50.235%0.35323%0.228SC..  trans-98.712.7177.6-66.2-35.7000114.3K330 Q331 K335 Y336 A337 I340K330-D333 HydrophobicContact CB-CB 3.9Å; K330-D333 HydrophobicContact CD-CB 4.02Å; Q331-D333 VanDerWaalsContact C-N 3.3Å; Q331-D333 PolarHBondContact O-N 2.91Å; D333-K335 PolarHBondContact O-N 2.68Å; D333-K335 VanDerWaalsContact O-N 3.14Å; D333-Y336 HydrophobicContact CB-CD2 4.23Å; D333-Y336 CarbonylContact O-C 3.6Å; D333-Y336 WeakPolarHBondContact O-CA 3.38Å; D333-Y336 PolarHBondContact O-N 2.99Å; D333-Y336 WeakPolarHBondContact OD1-CD2 3.34Å; D333-A337 PolarHBondContact O-N 2.84Å; D333-A337 VanDerWaalsContact O-N 3.17Å; D333-I340 HydrophobicContact CB-CD1 4.42Å
334Q95Very high94.9Very high8 Ų851.7 Ų51.74%0.03724%0.237CC..G310 helixtrans-56.4-33178.1-61.391.5-5700111.8L296 G298 T301 L302 K329 K330 N332 Y336 A337L296-Q334 HydrophobicContact CB-CG 4.22Å; G298-Q334 PolarHBondContact N-O 3.07Å; G298-Q334 VanDerWaalsContact N-O 3.08Å; T301-Q334 WeakPolarHBondContact OG1-CB 3.43Å; L302-Q334 HydrophobicContact CD2-CB 4.02Å; L302-Q334 HydrophobicContact CD2-CG 4.36Å; K329-Q334 HydrophobicContact CB-CG 4.24Å; K330-Q334 PolarHBondContact O-OE1 2.66Å; K330-Q334 VanDerWaalsContact O-OE1 3.06Å; N332-Q334 VanDerWaalsContact C-OE1 3.24Å; Q334-Y336 PolarHBondContact O-N 3.29Å; Q334-A337 WeakPolarHBondContact O-CB 3.42Å; Q334-A337 PolarHBondContact O-N 3.47Å
335K95.5Very high95.1Very high74 Ų7443.8 Ų43.832%0.32221%0.208SC..G310 helixtrans-65.2-17.317359.6171.4168.1167.30114.2K19 L302 D333K19-K335 WeakPolarHBondContact CE-O 3.43Å; L302-K335 HydrophobicContact CD1-CB 3.98Å; L302-K335 HydrophobicContact CD1-CD 3.86Å; L302-K335 HydrophobicContact CD1-CG 3.87Å; D333-K335 PolarHBondContact O-N 2.68Å; D333-K335 VanDerWaalsContact O-N 3.14Å
336Y97Very high95.1Very high43 Ų4343.3 Ų43.317%0.16921%0.206CC..G310 helixtrans-109.9-0.1-179.9-53.3-37.4000112.5K19 P28 L31 D333 Q334 V338 W339 I340K19-Y336 HydrophobicContact CD-CD1 4.02Å; P28-Y336 HydrophobicContact CG-CD1 3.79Å; P28-Y336 HydrophobicContact CG-CE1 4.09Å; P28-Y336 HydrophobicContact CG-CG 4.06Å; L31-Y336 HydrophobicContact CD1-CE1 4.28Å; D333-Y336 HydrophobicContact CB-CD2 4.23Å; D333-Y336 CarbonylContact O-C 3.6Å; D333-Y336 WeakPolarHBondContact O-CA 3.38Å; D333-Y336 PolarHBondContact O-N 2.99Å; D333-Y336 WeakPolarHBondContact OD1-CD2 3.34Å; Q334-Y336 PolarHBondContact O-N 3.29Å; Y336-V338 PolarHBondContact O-N 2.94Å; Y336-W339 PolarHBondContact O-N 3.07Å; Y336-W339 VanDerWaalsContact O-N 3.1Å; Y336-I340 WeakPolarHBondContact O-CG1 3.44Å; Y336-I340 PolarHBondContact O-N 2.81Å
337A97.2Very high95Very high0 Ų042.1 Ų42.10%021%0.209CC..Hα-helixtrans-53.6-50.2-174.900000112.3A140 Y141 D333 Q334 W339 I340 G341A140-A337 HydrophobicContact CB-CB 4.29Å; A140-A337 WeakPolarHBondContact CB-O 3.39Å; Y141-A337 HydrophobicContact CE2-CB 4.05Å; D333-A337 PolarHBondContact O-N 2.84Å; D333-A337 VanDerWaalsContact O-N 3.17Å; Q334-A337 WeakPolarHBondContact O-CB 3.42Å; Q334-A337 PolarHBondContact O-N 3.47Å; A337-W339 PolarHBondContact O-N 3.04Å; A337-I340 PolarHBondContact O-N 2.82Å; A337-G341 PolarHBondContact O-N 3.46Å
338V97.6Very high94.9Very high7 Ų745.3 Ų45.34%0.04223%0.226CC..Hα-helixtrans-55.5-50.6176.81790000111.3Q133 L136 A137 Y336 I340 G341 G342Q133-V338 HydrophobicContact CB-CB 4.47Å; Q133-V338 HydrophobicContact CB-CG1 3.63Å; Q133-V338 HydrophobicContact CB-CG2 3.96Å; L136-V338 HydrophobicContact CB-CG1 4.25Å; L136-V338 WeakPolarHBondContact CB-O 3.42Å; L136-V338 HydrophobicContact CD1-CG1 3.98Å; A137-V338 HydrophobicContact CB-CG2 4.36Å; Y336-V338 PolarHBondContact O-N 2.94Å; V338-I340 PolarHBondContact O-N 3.38Å; V338-G341 PolarHBondContact O-N 3.24Å; V338-G342 PolarHBondContact O-N 2.96Å
339W98.1Very high94.5Very high1 Ų149.3 Ų49.30%0.00426%0.258CS..Hα-helixtrans-62.2-43.7-178.9-171.891.5000111.9V10 K19 G21 D25 G27 P28 Y336 A337 G341 G342 S343V10-W339 HydrophobicContact CB-CZ2 4.1Å; V10-W339 HydrophobicContact CG1-CD2 4.44Å; V10-W339 HydrophobicContact CG1-CG 4.24Å; V10-W339 PolarHBondContact O-NE1 2.87Å; K19-W339 HydrophobicContact CB-CB 4.36Å; K19-W339 HydrophobicContact CB-CG 4.15Å; K19-W339 HydrophobicContact CD-CB 4.38Å; G21-W339 VanDerWaalsContact CA-CZ2 3.48Å; D25-W339 HydrophobicContact CB-CH2 3.94Å; G27-W339 VanDerWaalsContact C-CE3 3.48Å; G27-W339 VanDerWaalsContact CA-CZ3 3.46Å; G27-W339 WeakPolarHBondContact O-CH2 3.44Å; G27-W339 WeakPolarHBondContact O-CZ3 3.31Å; P28-W339 HydrophobicContact CB-CD2 3.65Å; P28-W339 HydrophobicContact CB-CE3 4.1Å; P28-W339 HydrophobicContact CB-CG 3.92Å; P28-W339 HydrophobicContact CB-CZ2 4.45Å; P28-W339 VanDerWaalsContact CD-CE3 3.48Å; P28-W339 HydrophobicContact CG-CD2 4.21Å; P28-W339 HydrophobicContact CG-CE3 4.35Å; P28-W339 HydrophobicContact CG-CG 4.35Å; Y336-W339 PolarHBondContact O-N 3.07Å; Y336-W339 VanDerWaalsContact O-N 3.1Å; A337-W339 PolarHBondContact O-N 3.04Å; W339-G341 VanDerWaalsContact C-N 3.33Å; W339-G341 PolarHBondContact O-N 2.93Å; W339-G342 CarbonylContact O-C 3.57Å; W339-G342 WeakPolarHBondContact O-CA 3.41Å; W339-G342 PolarHBondContact O-N 2.83Å; W339-G342 VanDerWaalsContact O-N 3.13Å; W339-S343 PolarHBondContact O-N 2.92Å
340I97.5Very high94.5Very high15 Ų1546.8 Ų46.88%0.07725%0.253CS..Hα-helixtrans-62.2-42177.9-66.5166.1000110.7A140 K330 D333 Y336 A337 V338 G342 S343 I344A140-I340 HydrophobicContact CB-CB 4.09Å; A140-I340 HydrophobicContact CB-CG2 4.04Å; K330-I340 HydrophobicContact CD-CD1 4.33Å; D333-I340 HydrophobicContact CB-CD1 4.42Å; Y336-I340 WeakPolarHBondContact O-CG1 3.44Å; Y336-I340 PolarHBondContact O-N 2.81Å; A337-I340 PolarHBondContact O-N 2.82Å; V338-I340 PolarHBondContact O-N 3.38Å; I340-G342 VanDerWaalsContact C-N 3.31Å; I340-G342 PolarHBondContact O-N 3.09Å; I340-S343 WeakPolarHBondContact O-CB 3.46Å; I340-S343 PolarHBondContact O-N 3.47Å; I340-I344 HydrophobicContact CG2-CD1 4.14Å; I340-I344 WeakPolarHBondContact O-CG1 3.39Å; I340-I344 PolarHBondContact O-N 2.84Å
341G97.6Very high94.7Very high0 Ų044.6 Ų44.60%024%0.243CC..Hα-helixtrans-60.4-41.2173.700000112.8L136 A337 V338 W339 I344 L345L136-G341 VanDerWaalsContact O-CA 3.24Å; L136-G341 WeakPolarHBondContact O-CA 3.4Å; A337-G341 PolarHBondContact O-N 3.46Å; V338-G341 PolarHBondContact O-N 3.24Å; W339-G341 VanDerWaalsContact C-N 3.33Å; W339-G341 PolarHBondContact O-N 2.93Å; G341-I344 PolarHBondContact O-N 3.1Å; G341-L345 WeakPolarHBondContact O-CB 3.28Å; G341-L345 PolarHBondContact O-N 3.07Å
342G97.9Very high94.9Very high0 Ų041.4 Ų41.40%023%0.227CC..Hα-helixtrans-63-40.9174.100000112.3V338 W339 I340 L345 A346V338-G342 PolarHBondContact O-N 2.96Å; W339-G342 CarbonylContact O-C 3.57Å; W339-G342 WeakPolarHBondContact O-CA 3.41Å; W339-G342 PolarHBondContact O-N 2.83Å; W339-G342 VanDerWaalsContact O-N 3.13Å; I340-G342 VanDerWaalsContact C-N 3.31Å; I340-G342 PolarHBondContact O-N 3.09Å; G342-L345 PolarHBondContact O-N 3.13Å; G342-A346 VanDerWaalsContact O-CB 3.23Å; G342-A346 WeakPolarHBondContact O-CB 3.26Å; G342-A346 PolarHBondContact O-N 2.81Å
343S98Very high95.2Very high3 Ų342.7 Ų42.72%0.02123%0.229CC..Hα-helixtrans-60.2-44.5174.7-178.10000111.8G24 D25 W339 I340 S347G24-S343 PolarHBondContact N-O 3.25Å; G24-S343 PolarHBondContact N-OG 3.29Å; D25-S343 PolarHBondContact N-OG 2.89Å; D25-S343 PolarHBondContact O-OG 3.34Å; W339-S343 PolarHBondContact O-N 2.92Å; I340-S343 WeakPolarHBondContact O-CB 3.46Å; I340-S343 PolarHBondContact O-N 3.47Å; S343-S347 VanDerWaalsContact O-CB 3.25Å; S343-S347 WeakPolarHBondContact O-CB 3.39Å; S343-S347 PolarHBondContact O-N 2.77Å; S343-S347 PolarHBondContact O-OG 3.11Å
344I97.2Very high95.3Very high71 Ų7142 Ų4236%0.36423%0.225SC..Hα-helixtrans-61.9-52.6175.4-66.4164.8000110.2I340 G341 A346 S347I340-I344 HydrophobicContact CG2-CD1 4.14Å; I340-I344 WeakPolarHBondContact O-CG1 3.39Å; I340-I344 PolarHBondContact O-N 2.84Å; G341-I344 PolarHBondContact O-N 3.1Å; I344-A346 PolarHBondContact O-N 3.26Å; I344-S347 PolarHBondContact O-N 3.4Å; I344-S347 PolarHBondContact O-OG 2.99Å
345L96.8Very high95.2Very high22 Ų2243.2 Ų43.212%0.11523%0.229CC..Hα-helixtrans-60.2-46-178178.858.6000112.3L100 F129 T131 L136 Y139 G341 G342 S347 L348L100-L345 HydrophobicContact CD1-CB 4.35Å; L100-L345 HydrophobicContact CD1-CD2 4.02Å; L100-L345 HydrophobicContact CD1-CG 4.2Å; F129-L345 HydrophobicContact CE1-CD2 3.94Å; T131-L345 HydrophobicContact CG2-CD2 4.5Å; L136-L345 HydrophobicContact CD2-CB 4.26Å; L136-L345 HydrophobicContact CD2-CD2 3.84Å; Y139-L345 HydrophobicContact CD2-CB 4.42Å; Y139-L345 HydrophobicContact CE2-CD2 4.25Å; G341-L345 WeakPolarHBondContact O-CB 3.28Å; G341-L345 PolarHBondContact O-N 3.07Å; G342-L345 PolarHBondContact O-N 3.13Å; L345-S347 PolarHBondContact O-N 2.9Å; L345-L348 HydrophobicContact CD1-CD1 3.97Å; L345-L348 WeakPolarHBondContact O-CB 3.24Å; L345-L348 WeakPolarHBondContact O-CG 3.08Å; L345-L348 PolarHBondContact O-N 3.44Å
346A97Very high95.3Very high4 Ų439.9 Ų39.93%0.03322%0.215CC..Hα-helixtrans-72.1-18.4-179.400000113.3P8 V10 A23 L100 G342 I344 L348 F351P8-A346 HydrophobicContact CB-CB 3.96Å; P8-A346 HydrophobicContact CG-CB 4.35Å; V10-A346 HydrophobicContact CG2-CB 3.92Å; A23-A346 HydrophobicContact CB-CB 3.61Å; L100-A346 HydrophobicContact CB-CB 4.43Å; L100-A346 HydrophobicContact CD1-CB 4.04Å; G342-A346 VanDerWaalsContact O-CB 3.23Å; G342-A346 WeakPolarHBondContact O-CB 3.26Å; G342-A346 PolarHBondContact O-N 2.81Å; I344-A346 PolarHBondContact O-N 3.26Å; A346-L348 VanDerWaalsContact C-N 3.31Å; A346-F351 HydrophobicContact CB-CD1 4.37Å; A346-F351 HydrophobicContact CB-CD2 4.32Å; A346-F351 HydrophobicContact CB-CE1 4.32Å; A346-F351 HydrophobicContact CB-CE2 4.29Å; A346-F351 HydrophobicContact CB-CG 4.37Å; A346-F351 HydrophobicContact CB-CZ 4.29Å
347S96Very high95.2Very high66 Ų6642.5 Ų42.546%0.46223%0.229SC..THydrogen-bonded Turntrans-80.6-10.3175.174.30000113.7S343 I344 L345S343-S347 VanDerWaalsContact O-CB 3.25Å; S343-S347 WeakPolarHBondContact O-CB 3.39Å; S343-S347 PolarHBondContact O-N 2.77Å; S343-S347 PolarHBondContact O-OG 3.11Å; I344-S347 PolarHBondContact O-N 3.4Å; I344-S347 PolarHBondContact O-OG 2.99Å; L345-S347 PolarHBondContact O-N 2.9Å
348L94.8Very high95.2Very high85 Ų8545.4 Ų45.445%0.44524%0.241SC..SBendtrans-68140.1177.2-58.5-178.4000110.5L345 A346 S350 F351L345-L348 HydrophobicContact CD1-CD1 3.97Å; L345-L348 WeakPolarHBondContact O-CB 3.24Å; L345-L348 WeakPolarHBondContact O-CG 3.08Å; L345-L348 PolarHBondContact O-N 3.44Å; A346-L348 VanDerWaalsContact C-N 3.31Å; L348-S350 PolarHBondContact O-N 2.65Å; L348-S350 VanDerWaalsContact O-N 3.16Å; L348-F351 VanDerWaalsContact O-CB 3.23Å; L348-F351 WeakPolarHBondContact O-CB 3.5Å; L348-F351 PolarHBondContact O-N 3.04Å
349S90.5Very high95.2Very high120 Ų12052.2 Ų52.284%0.83927%0.27SS*.THydrogen-bonded Turntrans-59.2-29.4177.7560000113.1F351S349-F351 VanDerWaalsContact C-N 3.28Å; S349-F351 PolarHBondContact O-N 3.15Å
350S91.8Very high95.1Very high47 Ų4754.2 Ų54.233%0.32928%0.28SS..THydrogen-bonded Turntrans-78-5.1177.554.80000114L348 K352 E353L348-S350 PolarHBondContact O-N 2.65Å; L348-S350 VanDerWaalsContact O-N 3.16Å; S350-K352 PolarHBondContact O-N 2.87Å; S350-E353 WeakPolarHBondContact O-CB 3.47Å; S350-E353 PolarHBondContact O-N 3.14Å
351F92.2Very high95.1Very high2 Ų254.2 Ų54.21%0.00928%0.279CS..Hα-helixtrans-59.1-34.3-179-177.8-108.2000112.4P8 L100 F129 A346 L348 S349 E353 I354 Y355P8-F351 HydrophobicContact CB-CD1 4.05Å; P8-F351 HydrophobicContact CB-CE1 3.63Å; P8-F351 HydrophobicContact CB-CZ 4.5Å; P8-F351 HydrophobicContact CG-CD1 3.48Å; P8-F351 VanDerWaalsContact CG-CD1 3.48Å; P8-F351 HydrophobicContact CG-CE1 3.59Å; L100-F351 HydrophobicContact CB-CE2 4.33Å; L100-F351 HydrophobicContact CB-CZ 3.96Å; L100-F351 HydrophobicContact CD1-CE2 3.84Å; L100-F351 HydrophobicContact CD1-CZ 4.32Å; F129-F351 HydrophobicContact CB-CE2 3.81Å; F129-F351 HydrophobicContact CB-CZ 3.82Å; F129-F351 AromaticContact CD1-CE2 3.82Å; F129-F351 HydrophobicContact CD1-CE2 3.82Å; F129-F351 AromaticContact CG-CE2 3.97Å; F129-F351 HydrophobicContact CG-CE2 3.97Å; F129-F351 HydrophobicContact CG-CZ 4.47Å; A346-F351 HydrophobicContact CB-CD1 4.37Å; A346-F351 HydrophobicContact CB-CD2 4.32Å; A346-F351 HydrophobicContact CB-CE1 4.32Å; A346-F351 HydrophobicContact CB-CE2 4.29Å; A346-F351 HydrophobicContact CB-CG 4.37Å; A346-F351 HydrophobicContact CB-CZ 4.29Å; L348-F351 VanDerWaalsContact O-CB 3.23Å; L348-F351 WeakPolarHBondContact O-CB 3.5Å; L348-F351 PolarHBondContact O-N 3.04Å; S349-F351 VanDerWaalsContact C-N 3.28Å; S349-F351 PolarHBondContact O-N 3.15Å; F351-E353 PolarHBondContact O-N 2.78Å; F351-I354 HydrophobicContact CD2-CD1 4.08Å; F351-I354 HydrophobicContact CD2-CG1 4.16Å; F351-I354 VanDerWaalsContact O-CG1 3.31Å; F351-I354 WeakPolarHBondContact O-CG1 3.35Å; F351-I354 PolarHBondContact O-N 3.15Å; F351-Y355 AromaticContact CD1-CD1 3.82Å; F351-Y355 HydrophobicContact CD1-CD1 3.82Å; F351-Y355 HydrophobicContact CD1-CE1 4.26Å; F351-Y355 AromaticContact CE1-CD1 3.61Å; F351-Y355 HydrophobicContact CE1-CD1 3.61Å; F351-Y355 HydrophobicContact CE1-CE1 4.27Å; F351-Y355 HydrophobicContact CZ-CD1 4.21Å; F351-Y355 VanDerWaalsContact O-CD1 3.31Å; F351-Y355 WeakPolarHBondContact O-CD1 3.44Å; F351-Y355 PolarHBondContact O-N 3.27Å
352K88.7Confident95.1Very high117 Ų11760.6 Ų60.651%0.50931%0.309SS..Hα-helixtrans-64.1-18.4176.5-64.4-168.6175.8-171.50114.3S350 Y355S350-K352 PolarHBondContact O-N 2.87Å; K352-Y355 VanDerWaalsContact CA-CE1 3.43Å; K352-Y355 HydrophobicContact CB-CE1 4.01Å; K352-Y355 HydrophobicContact CG-CE1 3.89Å
353E91Very high95Very high146 Ų14667 Ų6768%0.68234%0.339SS*.Hα-helixtrans-88.3-15.9-177.9-56.7174.6178.200112.8S350 F351S350-E353 WeakPolarHBondContact O-CB 3.47Å; S350-E353 PolarHBondContact O-N 3.14Å; F351-E353 PolarHBondContact O-N 2.78Å
354I93Very high94.9Very high52 Ų5272.4 Ų72.427%0.26736%0.362SS..Hα-helixtrans-112.7-19.2-170.865.2172.3000114.3F129 F351F129-I354 HydrophobicContact CD2-CD1 4.42Å; F129-I354 HydrophobicContact CD2-CG1 4.21Å; F129-I354 WeakPolarHBondContact CD2-O 3.26Å; F129-I354 HydrophobicContact CE1-CD1 4.04Å; F129-I354 HydrophobicContact CE2-CB 4.16Å; F129-I354 HydrophobicContact CE2-CD1 3.95Å; F129-I354 HydrophobicContact CE2-CG1 4.05Å; F129-I354 HydrophobicContact CZ-CD1 3.74Å; F129-I354 HydrophobicContact CZ-CG1 4.36Å; F351-I354 HydrophobicContact CD2-CD1 4.08Å; F351-I354 HydrophobicContact CD2-CG1 4.16Å; F351-I354 VanDerWaalsContact O-CG1 3.31Å; F351-I354 WeakPolarHBondContact O-CG1 3.35Å; F351-I354 PolarHBondContact O-N 3.15Å
355Y94.6Very high94.9Very high32 Ų3270.4 Ų70.413%0.12536%0.359CS..SBendtrans-77.1152.9175.867.8-123000111.9P98 F351 K352 Q357P98-Y355 HydrophobicContact CB-CD1 4.12Å; P98-Y355 HydrophobicContact CB-CE1 3.86Å; P98-Y355 HydrophobicContact CG-CE1 3.99Å; F351-Y355 AromaticContact CD1-CD1 3.82Å; F351-Y355 HydrophobicContact CD1-CD1 3.82Å; F351-Y355 HydrophobicContact CD1-CE1 4.26Å; F351-Y355 AromaticContact CE1-CD1 3.61Å; F351-Y355 HydrophobicContact CE1-CD1 3.61Å; F351-Y355 HydrophobicContact CE1-CE1 4.27Å; F351-Y355 HydrophobicContact CZ-CD1 4.21Å; F351-Y355 VanDerWaalsContact O-CD1 3.31Å; F351-Y355 WeakPolarHBondContact O-CD1 3.44Å; F351-Y355 PolarHBondContact O-N 3.27Å; K352-Y355 VanDerWaalsContact CA-CE1 3.43Å; K352-Y355 HydrophobicContact CB-CE1 4.01Å; K352-Y355 HydrophobicContact CG-CE1 3.89Å; Y355-Q357 HydrophobicContact CD2-CG 4.21Å; Y355-Q357 HydrophobicContact CE2-CG 3.78Å
356I96.7Very high94.8Very high4 Ų471.1 Ų71.12%0.02136%0.364CS..EExtended strand (participates in β ladder)trans-74.7122.7172.7-63.3158.3000107.9F120 G127 L128 E360 V368 V369 R372F120-I356 HydrophobicContact CE2-CG2 4.25Å; F120-I356 HydrophobicContact CZ-CB 4.46Å; F120-I356 HydrophobicContact CZ-CG2 4.04Å; G127-I356 CarbonylContact C-O 3.08Å; G127-I356 WeakPolarHBondContact CA-O 3.5Å; L128-I356 PolarHBondContact N-O 3.17Å; L128-I356 WeakPolarHBondContact O-CB 3.19Å; L128-I356 PolarHBondContact O-N 3.48Å; I356-E360 HydrophobicContact CG2-CB 4.29Å; I356-V368 HydrophobicContact CD1-CG1 4.33Å; I356-V368 HydrophobicContact CG1-CG2 4.39Å; I356-V368 HydrophobicContact CG2-CB 4.37Å; I356-V368 HydrophobicContact CG2-CG1 3.63Å; I356-V368 HydrophobicContact CG2-CG2 3.8Å; I356-V369 HydrophobicContact CD1-CB 4.39Å; I356-V369 HydrophobicContact CD1-CG1 4.2Å; I356-R372 HydrophobicContact CG1-CG 4.15Å
357Q96Very high94.6Very high99 Ų9980.1 Ų80.146%0.46340%0.397SS..EExtended strand (participates in β ladder)trans-77.8150.7174.5-70.8170.38000111.3Y355 K359 E360 Y361Y355-Q357 HydrophobicContact CD2-CG 4.21Å; Y355-Q357 HydrophobicContact CE2-CG 3.78Å; Q357-K359 PolarHBondContact O-N 3.04Å; Q357-K359 VanDerWaalsContact O-N 3.16Å; Q357-E360 HydrophobicContact CB-CG 4.29Å; Q357-E360 WeakPolarHBondContact CB-OE2 3.49Å; Q357-E360 PolarHBondContact N-OE2 3.32Å; Q357-E360 WeakPolarHBondContact O-CB 3.12Å; Q357-E360 PolarHBondContact O-N 3.33Å; Q357-Y361 PolarHBondContact O-N 3.34Å; Q357-Y361 VanDerWaalsContact O-N 3.08Å
358K96.6Very high94.6Very high60 Ų6077.2 Ų77.226%0.26138%0.376SS..Hα-helixtrans-51.7-39173.6-174.8175.3-178.6177.50112.7F120 P126 E360 Y361 E362F120-K358 HydrophobicContact CD1-CB 3.89Å; F120-K358 HydrophobicContact CD1-CG 3.95Å; F120-K358 HydrophobicContact CE1-CB 3.93Å; F120-K358 HydrophobicContact CE1-CG 4.49Å; P126-K358 PolarHBondContact O-N 2.76Å; K358-E360 PolarHBondContact O-N 3.4Å; K358-Y361 WeakPolarHBondContact O-CB 3.46Å; K358-Y361 PolarHBondContact O-N 3.45Å; K358-E362 WeakPolarHBondContact CE-OE1 3.35Å; K358-E362 WeakPolarHBondContact O-CG 3.37Å; K358-E362 PolarHBondContact O-N 3.19Å
359K96.5Very high94.6Very high150 Ų15073.1 Ų73.165%0.65236%0.355SS*.Hα-helixtrans-62-40.2176-173.6-178.5176.4-174.50113.1Q357 Y361 E362 E363Q357-K359 PolarHBondContact O-N 3.04Å; Q357-K359 VanDerWaalsContact O-N 3.16Å; K359-Y361 VanDerWaalsContact C-N 3.32Å; K359-E362 PolarHBondContact O-N 3.35Å; K359-E363 PolarHBondContact O-N 3.1Å; K359-E363 VanDerWaalsContact O-N 3.12Å
360E96.4Very high94.6Very high44 Ų4470.3 Ų70.321%0.20633%0.329CS..Hα-helixtrans-66.1-39.2175.8-64.917189.200110.4I356 Q357 K358 E363 F364 V368I356-E360 HydrophobicContact CG2-CB 4.29Å; Q357-E360 HydrophobicContact CB-CG 4.29Å; Q357-E360 WeakPolarHBondContact CB-OE2 3.49Å; Q357-E360 PolarHBondContact N-OE2 3.32Å; Q357-E360 WeakPolarHBondContact O-CB 3.12Å; Q357-E360 PolarHBondContact O-N 3.33Å; K358-E360 PolarHBondContact O-N 3.4Å; E360-E363 PolarHBondContact O-N 3.31Å; E360-F364 VanDerWaalsContact O-CD2 3.23Å; E360-F364 WeakPolarHBondContact O-CD2 3.14Å; E360-F364 PolarHBondContact O-N 3.24Å; E360-V368 HydrophobicContact CB-CG2 4.13Å
361Y97.6Very high94.3Very high14 Ų1472.9 Ų72.96%0.05534%0.343CS..Hα-helixtrans-63.5-42.5173.6175.2-94.7000112.7A116 E117 F120 E121 Q357 K358 K359 E363 G365 T366 V368A116-Y361 HydrophobicContact CB-CE2 4.31Å; E117-Y361 WeakPolarHBondContact CA-OH 3.27Å; F120-Y361 HydrophobicContact CB-CD1 3.45Å; F120-Y361 VanDerWaalsContact CB-CD1 3.45Å; F120-Y361 HydrophobicContact CB-CE1 3.53Å; F120-Y361 HydrophobicContact CB-CG 3.97Å; F120-Y361 HydrophobicContact CD1-CG 4.5Å; F120-Y361 AromaticContact CD2-CD1 3.77Å; F120-Y361 HydrophobicContact CD2-CD1 3.77Å; F120-Y361 AromaticContact CD2-CD2 3.41Å; F120-Y361 HydrophobicContact CD2-CD2 3.41Å; F120-Y361 VanDerWaalsContact CD2-CD2 3.41Å; F120-Y361 HydrophobicContact CD2-CE1 4.25Å; F120-Y361 AromaticContact CD2-CE2 3.92Å; F120-Y361 HydrophobicContact CD2-CE2 3.92Å; F120-Y361 AromaticContact CD2-CG 3.31Å; F120-Y361 HydrophobicContact CD2-CG 3.31Å; F120-Y361 AromaticContact CE2-CD2 3.88Å; F120-Y361 HydrophobicContact CE2-CD2 3.88Å; F120-Y361 AromaticContact CE2-CG 3.83Å; F120-Y361 HydrophobicContact CE2-CG 3.83Å; F120-Y361 AromaticContact CG-CD1 3.7Å; F120-Y361 HydrophobicContact CG-CD1 3.7Å; F120-Y361 HydrophobicContact CG-CD2 4.21Å; F120-Y361 HydrophobicContact CG-CE1 4.19Å; F120-Y361 AromaticContact CG-CG 3.69Å; F120-Y361 HydrophobicContact CG-CG 3.69Å; E121-Y361 HydrophobicContact CG-CE1 3.96Å; E121-Y361 WeakPolarHBondContact CG-OH 3.39Å; E121-Y361 PolarHBondContact OE1-OH 2.91Å; Q357-Y361 PolarHBondContact O-N 3.34Å; Q357-Y361 VanDerWaalsContact O-N 3.08Å; K358-Y361 WeakPolarHBondContact O-CB 3.46Å; K358-Y361 PolarHBondContact O-N 3.45Å; K359-Y361 VanDerWaalsContact C-N 3.32Å; Y361-E363 VanDerWaalsContact C-N 3.26Å; Y361-E363 PolarHBondContact O-N 3.22Å; Y361-G365 WeakPolarHBondContact O-CA 3.47Å; Y361-G365 PolarHBondContact O-N 2.72Å; Y361-T366 HydrophobicContact CE2-CG2 3.92Å; Y361-V368 HydrophobicContact CD2-CG1 4.15Å
362E97.6Very high93.3Very high134 Ų13480 Ų8063%0.62637%0.37SS*.Hα-helixtrans-63-32.3176.6-72.6167.517600112.4K358 K359K358-E362 WeakPolarHBondContact CE-OE1 3.35Å; K358-E362 WeakPolarHBondContact O-CG 3.37Å; K358-E362 PolarHBondContact O-N 3.19Å; K359-E362 PolarHBondContact O-N 3.35Å
363E96.8Very high93.5Very high134 Ų13478.2 Ų78.263%0.62636%0.363SS*.Hα-helixtrans-78.5-42.4178.9-174174.1172.900113K359 E360 Y361K359-E363 PolarHBondContact O-N 3.1Å; K359-E363 VanDerWaalsContact O-N 3.12Å; E360-E363 PolarHBondContact O-N 3.31Å; Y361-E363 VanDerWaalsContact C-N 3.26Å; Y361-E363 PolarHBondContact O-N 3.22Å
364F96Very high93.7Very high118 Ų11874.6 Ų74.652%0.51835%0.346SS..Hα-helixtrans-109.2-6.9-171-61-69.1000114.5E360 V368E360-F364 VanDerWaalsContact O-CD2 3.23Å; E360-F364 WeakPolarHBondContact O-CD2 3.14Å; E360-F364 PolarHBondContact O-N 3.24Å; F364-V368 HydrophobicContact CB-CB 4.12Å
365G95.6Very high93.7Very high28 Ų2875.9 Ų75.929%0.28935%0.35SS..G310 helixtrans61.4-156.9-171.100000112.7Y361 R367 V368Y361-G365 WeakPolarHBondContact O-CA 3.47Å; Y361-G365 PolarHBondContact O-N 2.72Å; G365-R367 PolarHBondContact O-N 3.34Å; G365-V368 VanDerWaalsContact O-CG1 3.28Å; G365-V368 WeakPolarHBondContact O-CG1 3.41Å; G365-V368 PolarHBondContact O-N 3.26Å
366T94.9Very high93.6Very high37 Ų3778.5 Ų78.523%0.22736%0.363CS..G310 helixtrans-60.1-19.6-177.354.30000114.7E113 E117 Y361 V368 V369E113-T366 HydrophobicContact CB-CG2 4.3Å; E117-T366 HydrophobicContact CB-CG2 4.35Å; Y361-T366 HydrophobicContact CE2-CG2 3.92Å; T366-V368 PolarHBondContact O-N 3.3Å; T366-V369 WeakPolarHBondContact O-CG2 3.39Å; T366-V369 PolarHBondContact O-N 2.97Å
367R94.1Very high93.5Very high193 Ų19383.1 Ų83.173%0.72839%0.385SS*.G310 helixtrans-66.1-21.1-178.5-66.5-179.9179.8172.91.8113.6G365 V369 H370G365-R367 PolarHBondContact O-N 3.34Å; R367-V369 PolarHBondContact O-N 3.35Å; R367-V369 VanDerWaalsContact O-N 3.17Å; R367-H370 PolarHBondContact O-CD2 3.43Å; R367-H370 PolarHBondContact O-N 3.05Å; R367-H370 VanDerWaalsContact O-N 3.12Å
368V95.1Very high93.3Very high5 Ų582.1 Ų82.13%0.0338%0.38CS..G310 helixtrans-58.4-25.8177.673.10000112.7I356 E360 Y361 F364 G365 T366 H370 T371I356-V368 HydrophobicContact CD1-CG1 4.33Å; I356-V368 HydrophobicContact CG1-CG2 4.39Å; I356-V368 HydrophobicContact CG2-CB 4.37Å; I356-V368 HydrophobicContact CG2-CG1 3.63Å; I356-V368 HydrophobicContact CG2-CG2 3.8Å; E360-V368 HydrophobicContact CB-CG2 4.13Å; Y361-V368 HydrophobicContact CD2-CG1 4.15Å; F364-V368 HydrophobicContact CB-CB 4.12Å; G365-V368 VanDerWaalsContact O-CG1 3.28Å; G365-V368 WeakPolarHBondContact O-CG1 3.41Å; G365-V368 PolarHBondContact O-N 3.26Å; T366-V368 PolarHBondContact O-N 3.3Å; V368-H370 PolarHBondContact O-N 3.21Å; V368-H370 VanDerWaalsContact O-N 3.08Å; V368-T371 PolarHBondContact O-N 3.28Å; V368-T371 VanDerWaalsContact O-N 3.16Å; V368-T371 PolarHBondContact O-OG1 3.26Å
369V94.3Very high93Very high0 Ų083.6 Ų83.60%039%0.388CS..G310 helixtrans-69.4-7.2179-51.60000114.2R112 E113 A116 F130 I356 T366 R367R112-V369 HydrophobicContact CB-CB 4.11Å; R112-V369 HydrophobicContact CB-CG2 3.6Å; R112-V369 PolarHBondContact NH1-O 3.19Å; E113-V369 HydrophobicContact CG-CG2 4.2Å; A116-V369 HydrophobicContact CB-CG1 3.44Å; A116-V369 VanDerWaalsContact CB-CG1 3.44Å; F130-V369 HydrophobicContact CD2-CB 4.44Å; F130-V369 HydrophobicContact CE2-CB 4.19Å; F130-V369 HydrophobicContact CE2-CG1 3.98Å; I356-V369 HydrophobicContact CD1-CB 4.39Å; I356-V369 HydrophobicContact CD1-CG1 4.2Å; T366-V369 WeakPolarHBondContact O-CG2 3.39Å; T366-V369 PolarHBondContact O-N 2.97Å; R367-V369 PolarHBondContact O-N 3.35Å; R367-V369 VanDerWaalsContact O-N 3.17Å
370H92.1Very high92.8Very high60 Ų6078.5 Ų78.528%0.27837%0.368SS..G310 helixtrans-101.8-4.1178.1-53.3-53.2000112.8K109 E113 R367 V368K109-H370 VanDerWaalsContact CB-CE1 3.42Å; K109-H370 WeakPolarHBondContact CB-CE1 3.43Å; E113-H370 IonicContact OE1-CD2 3.81Å; E113-H370 IonicContact OE1-CE1 3.69Å; E113-H370 IonicContact OE1-NE2 2.77Å; E113-H370 PolarHBondContact OE1-NE2 2.95Å; R367-H370 PolarHBondContact O-CD2 3.43Å; R367-H370 PolarHBondContact O-N 3.05Å; R367-H370 VanDerWaalsContact O-N 3.12Å; V368-H370 PolarHBondContact O-N 3.21Å; V368-H370 VanDerWaalsContact O-N 3.08Å
371T84.8Confident92.5Very high102 Ų10281.4 Ų81.463%0.62638%0.381SS*.  trans-94.2-7.2178.362.50000113V368V368-T371 PolarHBondContact O-N 3.28Å; V368-T371 VanDerWaalsContact O-N 3.16Å; V368-T371 PolarHBondContact O-OG1 3.26Å
372R70.9Confident92Very high152 Ų15287.5 Ų87.557%0.57441%0.411SS*.  trans-132.50178.4-59.5-67.2-173.3149.56.2108.5R112 I356R112-R372 PolarHBondContact NH1-OXT 2.89Å; I356-R372 HydrophobicContact CG1-CG 4.15Å

Retrieved 372 of 372 residues in 84 ms (Link to these results)

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