A0A077Z989_TRITR Loading...

Reticulon 4 interacting protein 1

AlphaFold DB , UniProt , Accession A0A077Z989, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 354 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M94.7Very high93.6Very high41 Ų4149.8 Ų49.820%0.20227%0.268CS..  0134.6069.2159.3-177.900107E19 L20 M22 P23 A113 D114 Y115M1-E19 WeakPolarHBondContact CA-OE2 3.48Å; M1-E19 PolarHBondContact N-OE2 3.1Å; M1-L20 HydrophobicContact CE-CB 4.32Å; M1-L20 HydrophobicContact CG-CB 4.23Å; M1-L20 PolarHBondContact N-O 3.48Å; M1-L20 PolarHBondContact O-N 3.13Å; M1-M22 HydrophobicContact CB-SD 3.95Å; M1-P23 HydrophobicContact CE-CG 3.78Å; M1-P23 HydrophobicContact SD-CG 4Å; M1-A113 HydrophobicContact SD-CB 4.5Å; M1-D114 HydrophobicContact CB-CB 4.31Å; M1-Y115 HydrophobicContact CB-CD2 4.2Å; M1-Y115 HydrophobicContact SD-CD2 4.29Å
2S97.1Very high92.6Very high27 Ų2757.3 Ų57.319%0.18931%0.308CS..EExtended strand (participates in β ladder)trans-76136.4179.7-59.30000109.9K18 E19 A113 D114S2-K18 WeakPolarHBondContact CA-O 3.46Å; S2-E19 PolarHBondContact OG-OE1 3.31Å; S2-A113 CarbonylContact O-C 3.24Å; S2-A113 VanDerWaalsContact O-CA 3.24Å; S2-A113 WeakPolarHBondContact O-CA 3.34Å; S2-D114 WeakPolarHBondContact CB-OD2 3.13Å; S2-D114 PolarHBondContact N-OD2 2.83Å; S2-D114 PolarHBondContact O-N 3.16Å
3A97.8Very high92.2Very high0 Ų054.5 Ų54.50%030%0.295CS..EExtended strand (participates in β ladder)trans-148.5141.3177.200000111.7K18 L20 T75 F112 A113A3-K18 PolarHBondContact N-O 2.87Å; A3-K18 PolarHBondContact O-N 2.85Å; A3-L20 HydrophobicContact CB-CD1 3.51Å; A3-L20 HydrophobicContact CB-CG 4.13Å; A3-T75 HydrophobicContact CB-CG2 4.17Å; A3-F112 CarbonylContact C-O 3.6Å; A3-F112 VanDerWaalsContact CA-O 3.31Å; A3-F112 WeakPolarHBondContact CA-O 3.29Å; A3-A113 HydrophobicContact CB-CB 3.64Å
4W98.1Very high92.2Very high23 Ų2362.2 Ų62.29%0.08733%0.325CS..EExtended strand (participates in β ladder)trans-88.5112.8173.8-67.499.5000110.3V15 E16 L17 L76 F112 F328 T331 P332W4-V15 HydrophobicContact CB-CB 4.28Å; W4-V15 HydrophobicContact CE3-CB 4.14Å; W4-V15 HydrophobicContact CE3-CG2 3.99Å; W4-E16 WeakPolarHBondContact CA-O 3.4Å; W4-L17 HydrophobicContact CD2-CB 4.37Å; W4-L17 HydrophobicContact CD2-CD1 4.02Å; W4-L17 HydrophobicContact CE3-CB 4.02Å; W4-L17 HydrophobicContact CG-CD1 4.37Å; W4-L17 HydrophobicContact CH2-CB 3.92Å; W4-L17 HydrophobicContact CZ2-CB 4.27Å; W4-L17 HydrophobicContact CZ2-CD1 4.1Å; W4-L17 HydrophobicContact CZ3-CB 3.79Å; W4-L76 PolarHBondContact O-N 2.89Å; W4-F112 HydrophobicContact CB-CB 3.9Å; W4-F112 HydrophobicContact CB-CD2 4.4Å; W4-F112 PolarHBondContact N-O 2.77Å; W4-F328 AromaticContact CD1-CE2 3.59Å; W4-F328 AromaticContact CD1-CZ 3.55Å; W4-F328 AromaticContact NE1-CD1 3.98Å; W4-F328 AromaticContact NE1-CE1 3.67Å; W4-F328 AromaticContact NE1-CE2 3.73Å; W4-F328 AromaticContact NE1-CZ 3.54Å; W4-F328 PolarHBondContact NE1-O 3.48Å; W4-T331 HydrophobicContact CG-CG2 4.12Å; W4-T331 PolarHBondContact NE1-OG1 3.31Å; W4-P332 HydrophobicContact CE3-CG 4.1Å; W4-P332 HydrophobicContact CH2-CG 3.68Å; W4-P332 HydrophobicContact CZ2-CG 4.27Å; W4-P332 HydrophobicContact CZ3-CG 3.57Å
5Q97.3Very high92.5Very high19 Ų1959.1 Ų59.19%0.08931%0.309CS..EExtended strand (participates in β ladder)trans-118.2144.4-177-65.7-162-41.100113.2V15 E16 K18 L20 L74 T75Q5-V15 CarbonylContact O-C 3.1Å; Q5-V15 WeakPolarHBondContact O-CA 3.4Å; Q5-E16 PolarHBondContact N-O 3.4Å; Q5-E16 PolarHBondContact O-N 3.48Å; Q5-K18 HydrophobicContact CB-CG 4.27Å; Q5-K18 HydrophobicContact CG-CG 4.46Å; Q5-L20 HydrophobicContact CG-CD1 4.38Å; Q5-L74 CarbonylContact C-O 3.52Å; Q5-L74 VanDerWaalsContact CA-O 3.28Å; Q5-L74 WeakPolarHBondContact CA-O 3.47Å; Q5-T75 WeakPolarHBondContact CG-OG1 3.24Å; Q5-T75 PolarHBondContact NE2-OG1 2.79Å; Q5-T75 VanDerWaalsContact NE2-OG1 3.09Å
6V96.7Very high92.8Very high0 Ų060.8 Ų60.80%032%0.315CS..EExtended strand (participates in β ladder)trans-93.7129.1163.8-179.90000108.5N8 V15 Q48 Y72 P73 L74 L76V6-N8 WeakPolarHBondContact CG1-O 3.5Å; V6-V15 HydrophobicContact CG2-CG1 3.79Å; V6-Q48 HydrophobicContact CG2-CB 4.11Å; V6-Q48 HydrophobicContact CG2-CG 3.85Å; V6-Y72 HydrophobicContact CB-CD1 4.38Å; V6-Y72 HydrophobicContact CB-CE1 4.32Å; V6-Y72 HydrophobicContact CG1-CD1 4.14Å; V6-Y72 HydrophobicContact CG1-CE1 4Å; V6-P73 CarbonylContact O-C 3.59Å; V6-P73 VanDerWaalsContact O-CA 3.31Å; V6-P73 WeakPolarHBondContact O-CA 3.25Å; V6-L74 PolarHBondContact N-O 3.02Å; V6-L74 PolarHBondContact O-N 2.98Å; V6-L76 HydrophobicContact CG2-CD1 3.6Å; V6-L76 HydrophobicContact CG2-CD2 4.17Å; V6-L76 HydrophobicContact CG2-CG 3.82Å
7Q94.6Very high93.1Very high53 Ų5362.2 Ų62.225%0.24832%0.323CS..  trans-82.1-31.6-171.5-60.2-55-56.400113.8K18 Y72Q7-K18 VanDerWaalsContact NE2-CE 3.34Å; Q7-Y72 WeakPolarHBondContact O-CB 3.28Å
8N92.3Very high93.3Very high114 Ų11462.6 Ų62.661%0.6132%0.322SS*.SBendtrans-145.1155.5-176.3-60.8-59.7000111V6 A10 S13V6-N8 WeakPolarHBondContact CG1-O 3.5Å; N8-A10 PolarHBondContact O-N 2.77Å; N8-S13 PolarHBondContact O-OG 3.44Å
9A89.2Confident93.6Very high43 Ų4366.1 Ų66.136%0.35534%0.336SS..SBendtrans-7489.3168.300000110.1D53 Y72A9-D53 HydrophobicContact CB-CB 4.25Å; A9-Y72 HydrophobicContact CB-CD2 3.89Å; A9-Y72 HydrophobicContact CB-CE2 3.55Å
10A87.1Confident93.7Very high46 Ų4664.9 Ų64.938%0.3833%0.33SS..  trans-143.1147.7174.600000111.8N8 N12 S13N8-A10 PolarHBondContact O-N 2.77Å; A10-N12 PolarHBondContact O-N 3.22Å; A10-S13 WeakPolarHBondContact CA-OG 3.3Å; A10-S13 WeakPolarHBondContact CB-OG 3.31Å; A10-S13 PolarHBondContact N-OG 2.74Å; A10-S13 VanDerWaalsContact O-CB 3.31Å; A10-S13 WeakPolarHBondContact O-CB 3.26Å; A10-S13 PolarHBondContact O-N 3.13Å; A10-S13 PolarHBondContact O-OG 2.78Å
11K84.7Confident93.8Very high182 Ų18267.2 Ų67.279%0.79135%0.35SS*.THydrogen-bonded Turntrans-57.3132.4175.5-69.6-175.1177.8179.50110.3S13K11-S13 PolarHBondContact O-N 2.71Å
12N81.1Confident93.8Very high140 Ų14069.6 Ų69.675%0.74936%0.362SS*.THydrogen-bonded Turntrans61.322.1-177.4-50.4-55000114.2A10 D49A10-N12 PolarHBondContact O-N 3.22Å; N12-D49 PolarHBondContact N-OD1 2.79Å
13S87.6Confident93.8Very high20 Ų2069.3 Ų69.314%0.1436%0.359CS..PPolyproline II helixtrans-54.8147.7170-65.40000109.7N8 A10 K11 Q48N8-S13 PolarHBondContact O-OG 3.44Å; A10-S13 WeakPolarHBondContact CA-OG 3.3Å; A10-S13 WeakPolarHBondContact CB-OG 3.31Å; A10-S13 PolarHBondContact N-OG 2.74Å; A10-S13 VanDerWaalsContact O-CB 3.31Å; A10-S13 WeakPolarHBondContact O-CB 3.26Å; A10-S13 PolarHBondContact O-N 3.13Å; A10-S13 PolarHBondContact O-OG 2.78Å; K11-S13 PolarHBondContact O-N 2.71Å; S13-Q48 VanDerWaalsContact O-CD 3.27Å; S13-Q48 WeakPolarHBondContact O-CG 3.26Å; S13-Q48 PolarHBondContact O-NE2 2.85Å
14K92.6Very high93.6Very high163 Ų16375.5 Ų75.571%0.70939%0.391SS*.PPolyproline II helixtrans-103.6154.3178.8-65.1-178.1-178.8178.20110.2
15V96.5Very high93.5Very high15 Ų1577.3 Ų77.39%0.09140%0.402CS..EExtended strand (participates in β ladder)trans-76.7137.8164.6-700000109.5W4 Q5 V6 L76 P332 L335W4-V15 HydrophobicContact CB-CB 4.28Å; W4-V15 HydrophobicContact CE3-CB 4.14Å; W4-V15 HydrophobicContact CE3-CG2 3.99Å; Q5-V15 CarbonylContact O-C 3.1Å; Q5-V15 WeakPolarHBondContact O-CA 3.4Å; V6-V15 HydrophobicContact CG2-CG1 3.79Å; V15-L76 HydrophobicContact CG1-CD1 3.58Å; V15-L76 HydrophobicContact CG1-CG 4.36Å; V15-P332 HydrophobicContact CG2-CB 4.14Å; V15-P332 HydrophobicContact CG2-CG 3.88Å; V15-L335 HydrophobicContact CG1-CD1 3.84Å; V15-L335 HydrophobicContact CG2-CD1 3.89Å
16E97.4Very high93.3Very high86 Ų8679.9 Ų79.940%0.40242%0.422SS..EExtended strand (participates in β ladder)trans-121.6137.6175.6-67.4176.1-15100109W4 Q5 K18W4-E16 WeakPolarHBondContact CA-O 3.4Å; Q5-E16 PolarHBondContact N-O 3.4Å; Q5-E16 PolarHBondContact O-N 3.48Å; E16-K18 PolarHBondContact O-N 2.88Å; E16-K18 WeakPolarHBondContact OE2-CE 3.42Å; E16-K18 IonicContact OE2-NZ 2.75Å; E16-K18 PolarHBondContact OE2-NZ 3.43Å
17L97.8Very high93.3Very high86 Ų8684.8 Ų84.845%0.4545%0.445SS..EExtended strand (participates in β ladder)trans-73.2124.8173-169.763000109W4 F328W4-L17 HydrophobicContact CD2-CB 4.37Å; W4-L17 HydrophobicContact CD2-CD1 4.02Å; W4-L17 HydrophobicContact CE3-CB 4.02Å; W4-L17 HydrophobicContact CG-CD1 4.37Å; W4-L17 HydrophobicContact CH2-CB 3.92Å; W4-L17 HydrophobicContact CZ2-CB 4.27Å; W4-L17 HydrophobicContact CZ2-CD1 4.1Å; W4-L17 HydrophobicContact CZ3-CB 3.79Å; L17-F328 HydrophobicContact CD1-CE1 3.87Å; L17-F328 HydrophobicContact CD1-CZ 4.2Å
18K97.5Very high93.5Very high69 Ų6985.2 Ų85.230%0.345%0.453SS..EExtended strand (participates in β ladder)trans-127.1147.9179.6-61.3-62.1-179.9-169.30110.2S2 A3 Q5 Q7 E16 L20S2-K18 WeakPolarHBondContact CA-O 3.46Å; A3-K18 PolarHBondContact N-O 2.87Å; A3-K18 PolarHBondContact O-N 2.85Å; Q5-K18 HydrophobicContact CB-CG 4.27Å; Q5-K18 HydrophobicContact CG-CG 4.46Å; Q7-K18 VanDerWaalsContact NE2-CE 3.34Å; E16-K18 PolarHBondContact O-N 2.88Å; E16-K18 WeakPolarHBondContact OE2-CE 3.42Å; E16-K18 IonicContact OE2-NZ 2.75Å; E16-K18 PolarHBondContact OE2-NZ 3.43Å; K18-L20 HydrophobicContact CB-CD2 4.27Å
19E97.6Very high93.7Very high128 Ų12882 Ų8260%0.59844%0.435SS*.EExtended strand (participates in β ladder)trans-89.8121.7165.3-77.1-56138.600109.9M1 S2M1-E19 WeakPolarHBondContact CA-OE2 3.48Å; M1-E19 PolarHBondContact N-OE2 3.1Å; S2-E19 PolarHBondContact OG-OE1 3.31Å
20L96Very high94.2Very high42 Ų4280 Ų8022%0.2242%0.419CS..  trans-117.1154.5179.7-57179.9000110.9M1 A3 Q5 K18M1-L20 HydrophobicContact CE-CB 4.32Å; M1-L20 HydrophobicContact CG-CB 4.23Å; M1-L20 PolarHBondContact N-O 3.48Å; M1-L20 PolarHBondContact O-N 3.13Å; A3-L20 HydrophobicContact CB-CD1 3.51Å; A3-L20 HydrophobicContact CB-CG 4.13Å; Q5-L20 HydrophobicContact CG-CD1 4.38Å; K18-L20 HydrophobicContact CB-CD2 4.27Å
21P95.9Very high94.7Very high115 Ų11577.8 Ų77.875%0.74740%0.4SS*.PPolyproline II helixtrans-56150.8168.3-23.534.2000112
22M95.8Very high95.4Very high90 Ų9069.1 Ų69.144%0.44336%0.363SS..PPolyproline II helixtrans-60.3142172.4-74.2-65.1-69.100110.5M1 I24 Y115M1-M22 HydrophobicContact CB-SD 3.95Å; M22-I24 PolarHBondContact O-N 3.37Å; M22-Y115 HydrophobicContact CE-CD1 3.89Å; M22-Y115 HydrophobicContact CE-CD2 3.65Å; M22-Y115 HydrophobicContact CE-CE1 3.9Å; M22-Y115 HydrophobicContact CE-CE2 3.71Å; M22-Y115 HydrophobicContact CE-CG 3.77Å; M22-Y115 HydrophobicContact SD-CD2 3.74Å; M22-Y115 HydrophobicContact SD-CE2 3.92Å; M22-Y115 HydrophobicContact SD-CG 4.33Å
23P95.2Very high96.2Very high21 Ų2162.5 Ų62.514%0.13633%0.327CS..PPolyproline II helixtrans-62.2135.1173-16.729.4000110.3M1 V32 L117M1-P23 HydrophobicContact CE-CG 3.78Å; M1-P23 HydrophobicContact SD-CG 4Å; P23-V32 HydrophobicContact CB-CG2 4.49Å; P23-L117 HydrophobicContact CB-CB 4.03Å
24I94.2Very high96.7Very high130 Ų13062.5 Ų62.567%0.66733%0.325SS*.  trans-106.2143.8174.658.5173.8000109.3M22 S26M22-I24 PolarHBondContact O-N 3.37Å; I24-S26 PolarHBondContact O-N 2.75Å
25L96.3Very high97Very high62 Ų6254.8 Ų54.833%0.32529%0.291SS..  trans-65.4116.8170.4-62.2173.6000108.5D30 V32 Q86 V87 L117L25-D30 HydrophobicContact CD2-CB 3.61Å; L25-V32 HydrophobicContact CD2-CG2 3.77Å; L25-V32 HydrophobicContact CG-CG2 4.35Å; L25-Q86 HydrophobicContact CD1-CB 4.04Å; L25-Q86 HydrophobicContact CD2-CB 4.41Å; L25-Q86 HydrophobicContact CG-CB 4.35Å; L25-V87 VanDerWaalsContact CD1-O 3.25Å; L25-V87 WeakPolarHBondContact CD1-O 3.09Å; L25-L117 HydrophobicContact CD2-CD1 4.41Å
26S94Very high97.1Very high73 Ų7356.5 Ų56.551%0.5130%0.297SS..  trans-107.7-23.4-178.459.80000112.4I24 D30I24-S26 PolarHBondContact O-N 2.75Å; S26-D30 WeakPolarHBondContact CA-OD2 3.47Å; S26-D30 PolarHBondContact N-OD2 3.2Å; S26-D30 PolarHBondContact OG-OD2 3.43Å
27H96.5Very high97.1Very high102 Ų10252.4 Ų52.447%0.47228%0.278SS..SBendtrans-134.6153.9-177.6-62.7-71.1000111.1D29 D30 K119H27-D29 VanDerWaalsContact CB-OD1 3.28Å; H27-D29 WeakPolarHBondContact CB-OD1 3.45Å; H27-D29 PolarHBondContact O-N 2.81Å; H27-D30 PolarHBondContact N-OD2 2.95Å; H27-D30 VanDerWaalsContact O-CB 3.26Å; H27-D30 WeakPolarHBondContact O-CB 3.5Å; H27-D30 PolarHBondContact O-N 2.84Å; H27-D30 VanDerWaalsContact O-N 3.13Å; H27-K119 VanDerWaalsContact CB-NZ 3.34Å
28P97.7Very high97.2Very high63 Ų6348.3 Ų48.341%0.40926%0.257SS..THydrogen-bonded Turntrans-70.2-15.8-17530.2-37.9000113.9G88 G89 N90 V91P28-G88 CarbonylContact O-C 3.54Å; P28-G88 VanDerWaalsContact O-CA 3.29Å; P28-G88 WeakPolarHBondContact O-CA 3.5Å; P28-G89 PolarHBondContact O-N 3.44Å; P28-N90 HydrophobicContact CB-CB 3.9Å; P28-N90 WeakPolarHBondContact O-CA 3.38Å; P28-N90 WeakPolarHBondContact O-CB 3.49Å; P28-N90 PolarHBondContact O-N 3.47Å; P28-V91 PolarHBondContact O-N 2.88Å
29D97.8Very high97.2Very high45 Ų4545 Ų4524%0.24124%0.243CC..THydrogen-bonded Turntrans-97.55.2175.467.5-37.4000113.5H27 K119 E120H27-D29 VanDerWaalsContact CB-OD1 3.28Å; H27-D29 WeakPolarHBondContact CB-OD1 3.45Å; H27-D29 PolarHBondContact O-N 2.81Å; D29-K119 WeakPolarHBondContact O-CA 3.31Å; D29-K119 IonicContact OD1-NZ 3.65Å; D29-K119 PolarHBondContact OD1-NZ 2.81Å; D29-K119 VanDerWaalsContact OD2-CD 3.31Å; D29-K119 WeakPolarHBondContact OD2-CD 3.28Å; D29-K119 WeakPolarHBondContact OD2-CE 3.46Å; D29-K119 IonicContact OD2-NZ 3.95Å; D29-K119 PolarHBondContact OD2-NZ 2.77Å; D29-E120 PolarHBondContact O-N 2.78Å
30D98.1Very high97.2Very high2 Ų239 Ų391%0.01122%0.215CC..EExtended strand (participates in β ladder)trans-70.4146.6179-77.5-11.9000112.1L25 S26 H27 V87 G88 V91 L117 T118 K119L25-D30 HydrophobicContact CD2-CB 3.61Å; S26-D30 WeakPolarHBondContact CA-OD2 3.47Å; S26-D30 PolarHBondContact N-OD2 3.2Å; S26-D30 PolarHBondContact OG-OD2 3.43Å; H27-D30 PolarHBondContact N-OD2 2.95Å; H27-D30 VanDerWaalsContact O-CB 3.26Å; H27-D30 WeakPolarHBondContact O-CB 3.5Å; H27-D30 PolarHBondContact O-N 2.84Å; H27-D30 VanDerWaalsContact O-N 3.13Å; D30-V87 CarbonylContact O-C 3.54Å; D30-G88 PolarHBondContact O-N 3.48Å; D30-V91 WeakPolarHBondContact O-CG2 3.46Å; D30-L117 HydrophobicContact CB-CD1 3.78Å; D30-T118 CarbonylContact C-O 3.57Å; D30-T118 WeakPolarHBondContact CA-O 3.44Å; D30-K119 WeakPolarHBondContact OD1-CD 3.4Å; D30-K119 WeakPolarHBondContact OD1-CE 3.36Å; D30-K119 IonicContact OD1-NZ 2.72Å; D30-K119 PolarHBondContact OD1-NZ 2.67Å
31V98.5Very high97.3Very high0 Ų037.3 Ų37.30%021%0.206CC..EExtended strand (participates in β ladder)trans-133.2128.1172.5-179.60000107.7V33 V84 V87 V91 L94 T118 E120V31-V33 HydrophobicContact CG1-CG2 3.87Å; V31-V84 HydrophobicContact CG1-CB 4.46Å; V31-V84 HydrophobicContact CG1-CG1 3.8Å; V31-V84 HydrophobicContact CG1-CG2 3.94Å; V31-V87 HydrophobicContact CG1-CG1 4.34Å; V31-V87 HydrophobicContact CG2-CG1 4.44Å; V31-V91 HydrophobicContact CG2-CG1 4.01Å; V31-V91 HydrophobicContact CG2-CG2 3.95Å; V31-L94 HydrophobicContact CG1-CD1 4.47Å; V31-L94 HydrophobicContact CG2-CD1 4.21Å; V31-T118 HydrophobicContact CB-CG2 3.86Å; V31-T118 HydrophobicContact CG1-CG2 4.28Å; V31-T118 PolarHBondContact N-O 3.33Å; V31-T118 WeakPolarHBondContact O-CG2 3.45Å; V31-T118 PolarHBondContact O-N 3.25Å; V31-E120 HydrophobicContact CG2-CB 4.37Å
32V98.3Very high97.3Very high0 Ų035.5 Ų35.50%019%0.194CC..EExtended strand (participates in β ladder)trans-96.4126.9171-176.50000108.2P23 L25 T85 Q86 Y115 V116 L117P23-V32 HydrophobicContact CB-CG2 4.49Å; L25-V32 HydrophobicContact CD2-CG2 3.77Å; L25-V32 HydrophobicContact CG-CG2 4.35Å; V32-T85 WeakPolarHBondContact CG1-OG1 3.29Å; V32-T85 PolarHBondContact O-N 2.83Å; V32-T85 PolarHBondContact O-OG1 2.88Å; V32-Q86 HydrophobicContact CB-CB 4.03Å; V32-Q86 HydrophobicContact CG2-CB 4.15Å; V32-Q86 PolarHBondContact N-O 2.82Å; V32-Q86 PolarHBondContact O-N 2.68Å; V32-Y115 HydrophobicContact CG1-CD1 4.17Å; V32-V116 WeakPolarHBondContact CA-O 3.39Å; V32-L117 HydrophobicContact CG2-CD1 3.88Å
33V98.4Very high97.3Very high0 Ų032.2 Ų32.20%018%0.178CC..EExtended strand (participates in β ladder)trans-120.5127.3-179.2-179.10000109.1V31 V35 F80 I83 V84 V100 Y115 V116 T118V31-V33 HydrophobicContact CG1-CG2 3.87Å; V33-V35 PolarHBondContact O-N 3.03Å; V33-F80 HydrophobicContact CB-CD2 4.42Å; V33-F80 HydrophobicContact CB-CE2 4.23Å; V33-F80 HydrophobicContact CG1-CD2 3.97Å; V33-F80 HydrophobicContact CG1-CE2 4.03Å; V33-F80 HydrophobicContact CG2-CE2 3.95Å; V33-I83 CarbonylContact C-O 3.06Å; V33-I83 WeakPolarHBondContact CA-O 3.44Å; V33-V84 HydrophobicContact CG2-CG2 4.39Å; V33-V100 HydrophobicContact CB-CG2 4.45Å; V33-V100 HydrophobicContact CG1-CG2 3.76Å; V33-V100 HydrophobicContact CG2-CG2 3.77Å; V33-Y115 VanDerWaalsContact O-CA 3.26Å; V33-Y115 WeakPolarHBondContact O-CA 3.35Å; V33-V116 HydrophobicContact CB-CG1 3.97Å; V33-V116 PolarHBondContact N-O 3.21Å; V33-V116 PolarHBondContact O-N 3.01Å; V33-T118 HydrophobicContact CG2-CG2 3.94Å
34K98.2Very high97.3Very high21 Ų2131.2 Ų31.29%0.09117%0.172CC..EExtended strand (participates in β ladder)trans-73.4111.9164-176.4171.4-178.4169.50108.6K36 G82 I83 T85 D114 Y115 A353 E354K34-K36 PolarHBondContact O-N 3.47Å; K34-G82 CarbonylContact O-C 3.5Å; K34-G82 WeakPolarHBondContact O-CA 3.42Å; K34-I83 PolarHBondContact N-O 3.09Å; K34-I83 PolarHBondContact O-N 3.45Å; K34-T85 HydrophobicContact CB-CG2 3.79Å; K34-D114 CarbonylContact C-O 3.6Å; K34-Y115 HydrophobicContact CB-CD1 3.92Å; K34-Y115 HydrophobicContact CB-CE1 3.56Å; K34-Y115 HydrophobicContact CD-CE1 4.2Å; K34-Y115 HydrophobicContact CG-CD1 4.38Å; K34-Y115 HydrophobicContact CG-CE1 3.83Å; K34-A353 WeakPolarHBondContact CE-O 3.16Å; K34-A353 PolarHBondContact NZ-O 3.18Å; K34-E354 PolarHBondContact NZ-O 2.74Å; K34-E354 PolarHBondContact NZ-OXT 3.38Å
35V98.6Very high97.4Very high1 Ų126.6 Ų26.61%0.00615%0.148CC..EExtended strand (participates in β ladder)trans-75.2123.4-174.7-177.30000109.3V33 F38 F80 A113 D114 V116V33-V35 PolarHBondContact O-N 3.03Å; V35-F38 HydrophobicContact CG1-CD1 3.9Å; V35-F80 HydrophobicContact CG1-CB 4.33Å; V35-F80 HydrophobicContact CG2-CB 4.36Å; V35-A113 WeakPolarHBondContact CB-O 3.39Å; V35-D114 PolarHBondContact N-O 3.38Å; V35-V116 HydrophobicContact CG2-CB 4.08Å; V35-V116 HydrophobicContact CG2-CG1 3.77Å
36K98.7Very high97.3Very high50 Ų5029.2 Ų29.222%0.21715%0.154CC..EExtended strand (participates in β ladder)trans-101.8-27.2174.9-69.4-59.6-170.41770112.6K34 S81 I83 F132 N351K34-K36 PolarHBondContact O-N 3.47Å; K36-S81 PolarHBondContact N-O 2.99Å; K36-I83 HydrophobicContact CG-CG1 4.46Å; K36-F132 HydrophobicContact CB-CB 3.87Å; K36-F132 HydrophobicContact CB-CD1 3.87Å; K36-F132 HydrophobicContact CB-CD2 3.95Å; K36-F132 HydrophobicContact CB-CE1 4.41Å; K36-F132 HydrophobicContact CB-CE2 4.47Å; K36-F132 HydrophobicContact CB-CG 3.62Å; K36-F132 HydrophobicContact CG-CD1 4.37Å; K36-F132 HydrophobicContact CG-CD2 4.24Å; K36-F132 HydrophobicContact CG-CE1 4.42Å; K36-F132 HydrophobicContact CG-CE2 4.29Å; K36-F132 HydrophobicContact CG-CG 4.29Å; K36-F132 HydrophobicContact CG-CZ 4.37Å; K36-N351 PolarHBondContact O-N 3.18Å
37A98.7Very high97.4Very high0 Ų025.8 Ų25.80%013%0.13CC..EExtended strand (participates in β ladder)trans-156155.1167.900000111.1F80 S81 F132 A133 A136 V349A37-F80 CarbonylContact O-C 3.26Å; A37-S81 PolarHBondContact N-O 3.1Å; A37-S81 VanDerWaalsContact N-O 3.07Å; A37-S81 PolarHBondContact O-N 2.73Å; A37-S81 PolarHBondContact O-OG 2.85Å; A37-F132 HydrophobicContact CB-CB 4.26Å; A37-A133 HydrophobicContact CB-CB 4.44Å; A37-A136 HydrophobicContact CB-CB 3.88Å; A37-V349 CarbonylContact C-O 3.6Å; A37-V349 WeakPolarHBondContact CA-O 3.47Å; A37-V349 WeakPolarHBondContact CB-O 3.3Å
38F98.7Very high97.4Very high0 Ų022.2 Ų22.20%011%0.113CC..EExtended strand (participates in β ladder)trans-137.1176.1169.252.1-99.9000109.8V35 D79 T111 F112 F328 T331 V348 V349V35-F38 HydrophobicContact CG1-CD1 3.9Å; F38-D79 WeakPolarHBondContact CB-O 3.29Å; F38-T111 VanDerWaalsContact CD1-O 3.32Å; F38-T111 WeakPolarHBondContact CD1-O 3.43Å; F38-F112 HydrophobicContact CD1-CD1 4.44Å; F38-F112 AromaticContact CD2-CD1 3.18Å; F38-F112 HydrophobicContact CD2-CD1 3.18Å; F38-F112 AromaticContact CD2-CE1 3.4Å; F38-F112 HydrophobicContact CD2-CE1 3.4Å; F38-F112 HydrophobicContact CD2-CG 4.22Å; F38-F112 HydrophobicContact CE1-CD1 4.45Å; F38-F112 HydrophobicContact CE2-CB 4.26Å; F38-F112 AromaticContact CE2-CD1 3.17Å; F38-F112 HydrophobicContact CE2-CD1 3.17Å; F38-F112 AromaticContact CE2-CE1 3.6Å; F38-F112 HydrophobicContact CE2-CE1 3.6Å; F38-F112 AromaticContact CE2-CG 3.78Å; F38-F112 HydrophobicContact CE2-CG 3.78Å; F38-F112 AromaticContact CG-CD1 3.86Å; F38-F112 HydrophobicContact CG-CD1 3.86Å; F38-F112 HydrophobicContact CG-CE1 4.32Å; F38-F112 HydrophobicContact CZ-CB 4.11Å; F38-F112 AromaticContact CZ-CD1 3.86Å; F38-F112 HydrophobicContact CZ-CD1 3.86Å; F38-F112 HydrophobicContact CZ-CG 4.14Å; F38-F328 AromaticContact CE1-CD2 3.59Å; F38-F328 HydrophobicContact CE1-CD2 3.59Å; F38-F328 AromaticContact CE1-CE2 3.79Å; F38-F328 HydrophobicContact CE1-CE2 3.79Å; F38-F328 AromaticContact CZ-CD2 3.76Å; F38-F328 HydrophobicContact CZ-CD2 3.76Å; F38-F328 HydrophobicContact CZ-CE2 4.01Å; F38-T331 HydrophobicContact CE2-CG2 4.07Å; F38-T331 HydrophobicContact CZ-CG2 4.28Å; F38-V348 CarbonylContact O-C 3.48Å; F38-V348 WeakPolarHBondContact O-CA 3.42Å; F38-V349 HydrophobicContact CD2-CB 3.69Å; F38-V349 HydrophobicContact CD2-CG1 4.41Å; F38-V349 HydrophobicContact CD2-CG2 4.06Å; F38-V349 HydrophobicContact CE1-CB 4.35Å; F38-V349 HydrophobicContact CE1-CG1 4.12Å; F38-V349 HydrophobicContact CE2-CB 3.32Å; F38-V349 HydrophobicContact CE2-CG1 3.65Å; F38-V349 HydrophobicContact CE2-CG2 3.56Å; F38-V349 HydrophobicContact CG-CB 4.36Å; F38-V349 HydrophobicContact CZ-CB 3.7Å; F38-V349 HydrophobicContact CZ-CG1 3.47Å; F38-V349 VanDerWaalsContact CZ-CG1 3.47Å; F38-V349 HydrophobicContact CZ-CG2 4.27Å; F38-V349 PolarHBondContact N-O 3.45Å; F38-V349 PolarHBondContact O-N 2.96Å
39S98.3Very high97.2Very high0 Ų022.7 Ų22.70%011%0.112CC..EExtended strand (participates in β ladder)trans-128.9151.6174.894.40000111.6N41 D79 A136 K346 I347S39-N41 PolarHBondContact O-ND2 2.62Å; S39-D79 VanDerWaalsContact OG-CG 3.29Å; S39-D79 PolarHBondContact OG-OD2 3.07Å; S39-A136 WeakPolarHBondContact CB-O 3.13Å; S39-A136 PolarHBondContact OG-O 3.28Å; S39-K346 WeakPolarHBondContact OG-CE 3.35Å; S39-K346 PolarHBondContact OG-NZ 2.81Å; S39-I347 WeakPolarHBondContact CA-O 3.08Å; S39-I347 WeakPolarHBondContact CB-O 3.1Å
40V98.1Very high97.1Very high2 Ų221.1 Ų21.11%0.01211%0.106CC..EExtended strand (participates in β ladder)trans-92.4141.9175.6-58.90000109.7F112 A334 L335 L338 K346 I347 V349V40-F112 HydrophobicContact CB-CZ 4.32Å; V40-F112 HydrophobicContact CG1-CE1 4.13Å; V40-F112 HydrophobicContact CG1-CE2 4.44Å; V40-F112 HydrophobicContact CG1-CZ 3.68Å; V40-A334 HydrophobicContact CG1-CB 4.08Å; V40-A334 HydrophobicContact CG2-CB 4.47Å; V40-L335 HydrophobicContact CB-CD2 4.09Å; V40-L335 HydrophobicContact CG1-CD2 3.96Å; V40-L335 HydrophobicContact CG1-CG 4.3Å; V40-L338 HydrophobicContact CB-CD2 4.07Å; V40-L338 HydrophobicContact CG2-CB 4.14Å; V40-L338 HydrophobicContact CG2-CD2 3.94Å; V40-L338 HydrophobicContact CG2-CG 4.47Å; V40-K346 PolarHBondContact O-NZ 3.18Å; V40-I347 HydrophobicContact CG2-CB 3.58Å; V40-I347 HydrophobicContact CG2-CG2 3.69Å; V40-I347 PolarHBondContact N-O 3.22Å; V40-V349 HydrophobicContact CG1-CG2 4.32Å
41N97.3Very high96.9Very high6 Ų622.1 Ų22.13%0.03211%0.11CC..  trans-130.8152.4-176.4-64.8-83000111.1S39 I43 D44 D79 H140 L338 K346S39-N41 PolarHBondContact O-ND2 2.62Å; N41-I43 HydrophobicContact CB-CG2 3.72Å; N41-I43 PolarHBondContact O-N 3.36Å; N41-I43 VanDerWaalsContact O-N 3.09Å; N41-D44 WeakPolarHBondContact CA-OD2 3.42Å; N41-D44 WeakPolarHBondContact CB-OD2 3.26Å; N41-D44 PolarHBondContact N-OD2 2.92Å; N41-D44 VanDerWaalsContact O-CB 3.32Å; N41-D44 WeakPolarHBondContact O-CB 3.45Å; N41-D44 PolarHBondContact O-N 2.96Å; N41-D79 PolarHBondContact ND2-OD2 3.49Å; N41-H140 VanDerWaalsContact CG-CD2 3.49Å; N41-H140 PolarHBondContact OD1-CD2 3.24Å; N41-H140 VanDerWaalsContact OD1-CD2 3.23Å; N41-L338 WeakPolarHBondContact O-CD2 3.27Å; N41-K346 VanDerWaalsContact CG-NZ 3.34Å; N41-K346 PolarHBondContact OD1-NZ 2.8Å
42P95.6Very high96.8Very high78 Ų7822.1 Ų22.151%0.50611%0.11SC..Hα-helixtrans-55.5-28.3173.7-27.936000113.6D44 L45 R46P42-D44 VanDerWaalsContact C-N 3.29Å; P42-D44 PolarHBondContact O-N 3.19Å; P42-L45 PolarHBondContact O-N 3.24Å; P42-R46 WeakPolarHBondContact O-CG 3.46Å; P42-R46 PolarHBondContact O-N 2.84Å; P42-R46 VanDerWaalsContact O-N 3.09Å
43I95.5Very high96.7Very high21 Ų2124.1 Ų24.111%0.10812%0.121CC..Hα-helixtrans-65.9-31.1174.6-168.558.9000112.4N41 R46 M47 Y51 R78 L106 H140N41-I43 HydrophobicContact CB-CG2 3.72Å; N41-I43 PolarHBondContact O-N 3.36Å; N41-I43 VanDerWaalsContact O-N 3.09Å; I43-R46 HydrophobicContact CD1-CB 4.44Å; I43-R46 PolarHBondContact O-N 2.72Å; I43-M47 HydrophobicContact CD1-CG 4.34Å; I43-M47 HydrophobicContact CG1-CG 4.25Å; I43-M47 HydrophobicContact CG1-SD 3.88Å; I43-M47 WeakPolarHBondContact O-CB 3.32Å; I43-M47 VanDerWaalsContact O-CG 3.25Å; I43-M47 WeakPolarHBondContact O-CG 3.16Å; I43-M47 PolarHBondContact O-N 2.89Å; I43-Y51 HydrophobicContact CD1-CD1 3.55Å; I43-Y51 HydrophobicContact CD1-CE1 3.49Å; I43-Y51 VanDerWaalsContact CD1-CE1 3.49Å; I43-R78 HydrophobicContact CG2-CG 3.84Å; I43-L106 HydrophobicContact CD1-CD1 4.46Å; I43-L106 HydrophobicContact CG1-CD1 4.41Å; I43-L106 HydrophobicContact CG1-CD2 3.83Å; I43-H140 WeakPolarHBondContact CG2-NE2 3.32Å
44D96.5Very high96.5Very high0 Ų026 Ų260%013%0.132CC..Hα-helixtrans-65.5-42176.7-60.2-55.3000110.4N41 P42 M47 Q48 G77 F112 L335N41-D44 WeakPolarHBondContact CA-OD2 3.42Å; N41-D44 WeakPolarHBondContact CB-OD2 3.26Å; N41-D44 PolarHBondContact N-OD2 2.92Å; N41-D44 VanDerWaalsContact O-CB 3.32Å; N41-D44 WeakPolarHBondContact O-CB 3.45Å; N41-D44 PolarHBondContact O-N 2.96Å; P42-D44 VanDerWaalsContact C-N 3.29Å; P42-D44 PolarHBondContact O-N 3.19Å; D44-M47 PolarHBondContact O-N 2.97Å; D44-Q48 VanDerWaalsContact O-CB 3.28Å; D44-Q48 WeakPolarHBondContact O-CB 3.45Å; D44-Q48 PolarHBondContact O-N 3.21Å; D44-G77 WeakPolarHBondContact OD1-CA 3.31Å; D44-G77 PolarHBondContact OD1-N 3.36Å; D44-F112 HydrophobicContact CB-CE2 4.48Å; D44-F112 HydrophobicContact CB-CZ 4.22Å; D44-L335 HydrophobicContact CB-CD2 4.3Å
45L95.6Very high96.4Very high33 Ų3326.1 Ų26.117%0.17313%0.134CC..Hα-helixtrans-64.4-41.9174.4-63.4175.1000111.9P42 Q48 D49 L335 L338 A339P42-L45 PolarHBondContact O-N 3.24Å; L45-Q48 WeakPolarHBondContact O-CB 3.21Å; L45-Q48 PolarHBondContact O-N 2.9Å; L45-D49 PolarHBondContact O-N 3.03Å; L45-D49 VanDerWaalsContact O-N 3.15Å; L45-L335 HydrophobicContact CD2-CB 4.05Å; L45-L335 HydrophobicContact CD2-CD2 3.91Å; L45-L335 HydrophobicContact CG-CD2 4.48Å; L45-L338 HydrophobicContact CD1-CB 4.3Å; L45-L338 HydrophobicContact CD1-CD2 3.75Å; L45-L338 HydrophobicContact CD1-CG 3.84Å; L45-L338 HydrophobicContact CG-CD2 4.03Å; L45-A339 HydrophobicContact CD1-CB 3.84Å; L45-A339 HydrophobicContact CD2-CB 4.43Å
46R95.2Very high96.3Very high117 Ų11727 Ų2744%0.44214%0.138SC..Hα-helixtrans-64.4-43.9176.2-71.1-176-177.7165.12.2111.5P42 I43 Q48 D49 G50 Y51P42-R46 WeakPolarHBondContact O-CG 3.46Å; P42-R46 PolarHBondContact O-N 2.84Å; P42-R46 VanDerWaalsContact O-N 3.09Å; I43-R46 HydrophobicContact CD1-CB 4.44Å; I43-R46 PolarHBondContact O-N 2.72Å; R46-Q48 VanDerWaalsContact C-N 3.3Å; R46-Q48 PolarHBondContact O-N 2.86Å; R46-D49 CarbonylContact O-C 3.49Å; R46-D49 PolarHBondContact O-N 3.38Å; R46-D49 VanDerWaalsContact O-N 3.1Å; R46-G50 PolarHBondContact O-N 3Å; R46-Y51 HydrophobicContact CB-CD1 4.24Å; R46-Y51 HydrophobicContact CB-CD2 4.45Å; R46-Y51 HydrophobicContact CB-CG 3.89Å; R46-Y51 WeakPolarHBondContact O-CB 3.34Å; R46-Y51 PolarHBondContact O-N 3.2Å
47M95.7Very high96.1Very high0 Ų025.1 Ų25.10%013%0.13CC..Hα-helixtrans-66-34176.9-74.1172.649.600111.6I43 D44 D49 G50 Y72 L74 L76 L106I43-M47 HydrophobicContact CD1-CG 4.34Å; I43-M47 HydrophobicContact CG1-CG 4.25Å; I43-M47 HydrophobicContact CG1-SD 3.88Å; I43-M47 WeakPolarHBondContact O-CB 3.32Å; I43-M47 VanDerWaalsContact O-CG 3.25Å; I43-M47 WeakPolarHBondContact O-CG 3.16Å; I43-M47 PolarHBondContact O-N 2.89Å; D44-M47 PolarHBondContact O-N 2.97Å; M47-D49 PolarHBondContact O-N 3.38Å; M47-G50 PolarHBondContact O-N 2.98Å; M47-G50 VanDerWaalsContact O-N 3.14Å; M47-Y72 PolarHBondContact O-OH 3.49Å; M47-L74 HydrophobicContact CE-CD2 3.66Å; M47-L76 HydrophobicContact CB-CD2 4.09Å; M47-L76 HydrophobicContact CE-CD2 4.48Å; M47-L106 HydrophobicContact SD-CD2 4.1Å
48Q95.3Very high96Very high28 Ų2826.4 Ų26.413%0.13114%0.139CC..Hα-helixtrans-59.3-35.5170.8178.8178.2-30.800111.8V6 S13 D44 L45 R46 G50 L76V6-Q48 HydrophobicContact CG2-CB 4.11Å; V6-Q48 HydrophobicContact CG2-CG 3.85Å; S13-Q48 VanDerWaalsContact O-CD 3.27Å; S13-Q48 WeakPolarHBondContact O-CG 3.26Å; S13-Q48 PolarHBondContact O-NE2 2.85Å; D44-Q48 VanDerWaalsContact O-CB 3.28Å; D44-Q48 WeakPolarHBondContact O-CB 3.45Å; D44-Q48 PolarHBondContact O-N 3.21Å; L45-Q48 WeakPolarHBondContact O-CB 3.21Å; L45-Q48 PolarHBondContact O-N 2.9Å; R46-Q48 VanDerWaalsContact C-N 3.3Å; R46-Q48 PolarHBondContact O-N 2.86Å; Q48-G50 VanDerWaalsContact C-N 3.34Å; Q48-L76 HydrophobicContact CB-CD1 3.97Å
49D94.5Very high95.7Very high73 Ų7329.1 Ų29.139%0.3916%0.155SC..THydrogen-bonded Turntrans-85.74.5176.8-72-26.6000114.8N12 L45 R46 M47N12-D49 PolarHBondContact N-OD1 2.79Å; L45-D49 PolarHBondContact O-N 3.03Å; L45-D49 VanDerWaalsContact O-N 3.15Å; R46-D49 CarbonylContact O-C 3.49Å; R46-D49 PolarHBondContact O-N 3.38Å; R46-D49 VanDerWaalsContact O-N 3.1Å; M47-D49 PolarHBondContact O-N 3.38Å
50G94.5Very high95.5Very high11 Ų1130.6 Ų30.611%0.11316%0.162CC..THydrogen-bonded Turntrans102.73.3178.100000116.1R46 M47 Q48 G52 D53 Y72R46-G50 PolarHBondContact O-N 3Å; M47-G50 PolarHBondContact O-N 2.98Å; M47-G50 VanDerWaalsContact O-N 3.14Å; Q48-G50 VanDerWaalsContact C-N 3.34Å; G50-G52 PolarHBondContact O-N 2.88Å; G50-D53 WeakPolarHBondContact O-CB 3.32Å; G50-D53 PolarHBondContact O-N 3.32Å; G50-Y72 WeakPolarHBondContact CA-OH 3.38Å
51Y95.3Very high95.4Very high24 Ų2434.3 Ų34.39%0.09418%0.179CC..THydrogen-bonded Turntrans-59.9123.9-175.2-179.3-97.7000113.5I43 R46 D53 R71 M261 S262 D265I43-Y51 HydrophobicContact CD1-CD1 3.55Å; I43-Y51 HydrophobicContact CD1-CE1 3.49Å; I43-Y51 VanDerWaalsContact CD1-CE1 3.49Å; R46-Y51 HydrophobicContact CB-CD1 4.24Å; R46-Y51 HydrophobicContact CB-CD2 4.45Å; R46-Y51 HydrophobicContact CB-CG 3.89Å; R46-Y51 WeakPolarHBondContact O-CB 3.34Å; R46-Y51 PolarHBondContact O-N 3.2Å; Y51-D53 VanDerWaalsContact C-N 3.3Å; Y51-R71 PolarHBondContact O-NH1 3.08Å; Y51-M261 HydrophobicContact CD1-CB 4.18Å; Y51-M261 HydrophobicContact CD1-CG 4.4Å; Y51-M261 HydrophobicContact CD2-CB 4.03Å; Y51-M261 HydrophobicContact CE1-CB 3.65Å; Y51-M261 HydrophobicContact CE1-CG 3.64Å; Y51-M261 HydrophobicContact CE2-CB 3.49Å; Y51-M261 VanDerWaalsContact CE2-CB 3.49Å; Y51-M261 HydrophobicContact CE2-CG 4.34Å; Y51-M261 HydrophobicContact CG-CB 4.36Å; Y51-M261 WeakPolarHBondContact OH-CB 3.48Å; Y51-S262 WeakPolarHBondContact CE2-OG 3.39Å; Y51-D265 WeakPolarHBondContact CA-OD2 3.42Å
52G95.4Very high95.2Very high0 Ų041.8 Ų41.80%021%0.211CC..THydrogen-bonded Turntrans77.77-177.400000114.1G50 T54 I55 F56 D265G50-G52 PolarHBondContact O-N 2.88Å; G52-T54 VanDerWaalsContact C-N 3.25Å; G52-T54 PolarHBondContact O-N 2.82Å; G52-I55 PolarHBondContact O-N 2.89Å; G52-F56 WeakPolarHBondContact O-CB 3.31Å; G52-F56 WeakPolarHBondContact O-CD2 3.18Å; G52-F56 PolarHBondContact O-N 3.32Å; G52-D265 PolarHBondContact N-OD2 2.66Å
53D95.6Very high95Very high42 Ų4245.1 Ų45.123%0.22522%0.217CC..Hα-helixtrans-54.2-42.8-178.5-17639.2000111.8A9 G50 Y51 I55 F56 S57 Y72 D265A9-D53 HydrophobicContact CB-CB 4.25Å; G50-D53 WeakPolarHBondContact O-CB 3.32Å; G50-D53 PolarHBondContact O-N 3.32Å; Y51-D53 VanDerWaalsContact C-N 3.3Å; D53-I55 PolarHBondContact O-N 2.95Å; D53-F56 PolarHBondContact O-N 3.21Å; D53-S57 WeakPolarHBondContact O-CA 3.38Å; D53-S57 WeakPolarHBondContact O-CB 2.92Å; D53-S57 PolarHBondContact O-N 2.97Å; D53-S57 PolarHBondContact O-OG 3.4Å; D53-S57 PolarHBondContact OD1-OG 3.16Å; D53-Y72 HydrophobicContact CB-CE2 4Å; D53-Y72 WeakPolarHBondContact OD1-CE2 3.49Å; D53-D265 PolarHBondContact N-OD1 3.48Å
54T95.9Very high94.8Very high38 Ų3850.5 Ų50.523%0.23324%0.24CC..Hα-helixtrans-58.9-49.3180-67.90000112G52 T58 T264 D265 L269G52-T54 VanDerWaalsContact C-N 3.25Å; G52-T54 PolarHBondContact O-N 2.82Å; T54-T58 VanDerWaalsContact O-CB 3.29Å; T54-T58 WeakPolarHBondContact O-CB 3.45Å; T54-T58 PolarHBondContact O-N 3.46Å; T54-T58 PolarHBondContact O-OG1 3Å; T54-T264 WeakPolarHBondContact CG2-O 3.43Å; T54-T264 PolarHBondContact OG1-O 3.36Å; T54-D265 PolarHBondContact N-OD1 3.46Å; T54-D265 VanDerWaalsContact N-OD1 3.11Å; T54-L269 HydrophobicContact CG2-CB 3.92Å; T54-L269 HydrophobicContact CG2-CD1 4.46Å
55I96.1Very high94.6Very high24 Ų2456.1 Ų56.112%0.12328%0.278CS..Hα-helixtrans-67.3-53179.6-75.3171.4000110.4G52 D53 T58 V59 L260 M261 T264 L269G52-I55 PolarHBondContact O-N 2.89Å; D53-I55 PolarHBondContact O-N 2.95Å; I55-T58 WeakPolarHBondContact O-CB 3.47Å; I55-T58 PolarHBondContact O-N 3.43Å; I55-T58 VanDerWaalsContact O-N 3.14Å; I55-V59 HydrophobicContact CG2-CG2 4.38Å; I55-V59 WeakPolarHBondContact O-CG2 3.45Å; I55-V59 PolarHBondContact O-N 2.76Å; I55-L260 HydrophobicContact CD1-CD1 4.42Å; I55-L260 HydrophobicContact CD1-CG 4.07Å; I55-M261 HydrophobicContact CB-SD 4.22Å; I55-M261 HydrophobicContact CD1-CE 4.39Å; I55-M261 HydrophobicContact CD1-SD 3.66Å; I55-M261 HydrophobicContact CG1-SD 4.48Å; I55-M261 HydrophobicContact CG2-SD 4.45Å; I55-T264 HydrophobicContact CD1-CG2 3.77Å; I55-T264 VanDerWaalsContact CD1-OG1 3.27Å; I55-T264 WeakPolarHBondContact CD1-OG1 3.12Å; I55-T264 HydrophobicContact CG1-CG2 3.95Å; I55-T264 WeakPolarHBondContact CG1-OG1 3.19Å; I55-L269 HydrophobicContact CG1-CD1 4.01Å
56F95.5Very high94.6Very high21 Ų2155.4 Ų55.49%0.09228%0.277CS..Hα-helixtrans-71.4-36.8-171.4-66.4-59.6000112.6G52 D53 T58 V59 L60 R71 L106 E107 M261G52-F56 WeakPolarHBondContact O-CB 3.31Å; G52-F56 WeakPolarHBondContact O-CD2 3.18Å; G52-F56 PolarHBondContact O-N 3.32Å; D53-F56 PolarHBondContact O-N 3.21Å; F56-T58 VanDerWaalsContact C-N 3.29Å; F56-T58 PolarHBondContact O-N 3.05Å; F56-V59 PolarHBondContact O-N 3.18Å; F56-L60 WeakPolarHBondContact O-CB 3.4Å; F56-L60 PolarHBondContact O-N 2.95Å; F56-R71 HydrophobicContact CB-CG 4.34Å; F56-R71 VanDerWaalsContact CD2-NH1 3.28Å; F56-R71 VanDerWaalsContact CD2-NH2 3.27Å; F56-L106 HydrophobicContact CE1-CB 4.08Å; F56-L106 HydrophobicContact CE2-CB 4.02Å; F56-L106 HydrophobicContact CZ-CB 3.45Å; F56-L106 VanDerWaalsContact CZ-CB 3.45Å; F56-L106 HydrophobicContact CZ-CD1 4.28Å; F56-E107 HydrophobicContact CD1-CB 3.92Å; F56-E107 HydrophobicContact CD1-CG 4.25Å; F56-E107 HydrophobicContact CE1-CB 4.11Å; F56-M261 HydrophobicContact CE1-CE 4.35Å; F56-M261 HydrophobicContact CE2-CE 3.89Å; F56-M261 HydrophobicContact CE2-SD 3.85Å; F56-M261 HydrophobicContact CZ-CE 3.53Å; F56-M261 HydrophobicContact CZ-SD 4.12Å
57S95.5Very high94.4Very high9 Ų954.7 Ų54.76%0.06329%0.287CS..Hα-helixtrans-63.9-37.1170.7-74.70000111D53 L60 K61 R71D53-S57 WeakPolarHBondContact O-CA 3.38Å; D53-S57 WeakPolarHBondContact O-CB 2.92Å; D53-S57 PolarHBondContact O-N 2.97Å; D53-S57 PolarHBondContact O-OG 3.4Å; D53-S57 PolarHBondContact OD1-OG 3.16Å; S57-L60 PolarHBondContact O-N 2.85Å; S57-K61 VanDerWaalsContact O-CG 3.26Å; S57-K61 WeakPolarHBondContact O-CG 3.2Å; S57-K61 PolarHBondContact O-N 3.45Å; S57-R71 WeakPolarHBondContact OG-CB 3.35Å; S57-R71 PolarHBondContact OG-N 3.3Å
58T95.1Very high94.2Very high28 Ų2861.5 Ų61.517%0.17232%0.319CS..Hα-helixtrans-65.4-48.5174.8-60.40000112.2T54 I55 F56 L60 K61 F62 L269T54-T58 VanDerWaalsContact O-CB 3.29Å; T54-T58 WeakPolarHBondContact O-CB 3.45Å; T54-T58 PolarHBondContact O-N 3.46Å; T54-T58 PolarHBondContact O-OG1 3Å; I55-T58 WeakPolarHBondContact O-CB 3.47Å; I55-T58 PolarHBondContact O-N 3.43Å; I55-T58 VanDerWaalsContact O-N 3.14Å; F56-T58 VanDerWaalsContact C-N 3.29Å; F56-T58 PolarHBondContact O-N 3.05Å; T58-L60 PolarHBondContact O-N 2.81Å; T58-K61 WeakPolarHBondContact O-CB 3.15Å; T58-K61 PolarHBondContact O-N 3.23Å; T58-F62 HydrophobicContact CG2-CD2 3.8Å; T58-F62 HydrophobicContact CG2-CE2 3.46Å; T58-F62 VanDerWaalsContact CG2-CE2 3.46Å; T58-F62 WeakPolarHBondContact O-CD2 3.34Å; T58-F62 PolarHBondContact O-N 3.12Å; T58-L269 HydrophobicContact CG2-CD2 3.72Å
59V94Very high94.1Very high56 Ų5660.8 Ų60.834%0.33932%0.318SS..Hα-helixtrans-56.4-42.5176.2170.60000110.6I55 F56 K61 F62 K63 E107I55-V59 HydrophobicContact CG2-CG2 4.38Å; I55-V59 WeakPolarHBondContact O-CG2 3.45Å; I55-V59 PolarHBondContact O-N 2.76Å; F56-V59 PolarHBondContact O-N 3.18Å; V59-K61 PolarHBondContact O-N 2.76Å; V59-F62 PolarHBondContact O-N 2.88Å; V59-K63 WeakPolarHBondContact O-CB 3.45Å; V59-K63 PolarHBondContact O-N 2.9Å; V59-E107 HydrophobicContact CG1-CG 4.38Å
60L93.9Very high94Very high31 Ų3164.6 Ų64.616%0.16233%0.331CS..Hα-helixtrans-63.5-41.1179.1-170.265.3000112.7F56 S57 T58 F62 K63 K64 A69 K70F56-L60 WeakPolarHBondContact O-CB 3.4Å; F56-L60 PolarHBondContact O-N 2.95Å; S57-L60 PolarHBondContact O-N 2.85Å; T58-L60 PolarHBondContact O-N 2.81Å; L60-F62 VanDerWaalsContact C-N 3.33Å; L60-F62 PolarHBondContact O-N 3.07Å; L60-K63 PolarHBondContact O-N 2.82Å; L60-K64 HydrophobicContact CD1-CD 3.85Å; L60-K64 HydrophobicContact CD1-CG 4.12Å; L60-K64 HydrophobicContact CG-CD 4.1Å; L60-K64 WeakPolarHBondContact O-CB 3.45Å; L60-K64 PolarHBondContact O-N 3.28Å; L60-A69 HydrophobicContact CD2-CB 4.19Å; L60-A69 HydrophobicContact CG-CB 4.07Å; L60-K70 WeakPolarHBondContact CD2-O 3.41Å
61K95.3Very high94Very high81 Ų8164.8 Ų64.835%0.35233%0.328SS..Hα-helixtrans-58.5-44.6175.9-70.7168.8-174.2-172.90111.7S57 T58 V59 C65 A66 P67 A69S57-K61 VanDerWaalsContact O-CG 3.26Å; S57-K61 WeakPolarHBondContact O-CG 3.2Å; S57-K61 PolarHBondContact O-N 3.45Å; T58-K61 WeakPolarHBondContact O-CB 3.15Å; T58-K61 PolarHBondContact O-N 3.23Å; V59-K61 PolarHBondContact O-N 2.76Å; K61-C65 WeakPolarHBondContact O-CA 3.45Å; K61-C65 PolarHBondContact O-N 3.1Å; K61-A66 WeakPolarHBondContact CA-O 3.22Å; K61-A66 WeakPolarHBondContact CG-O 3.19Å; K61-A66 PolarHBondContact O-N 3.49Å; K61-P67 VanDerWaalsContact CD-O 3.31Å; K61-P67 WeakPolarHBondContact CD-O 3.25Å; K61-P67 WeakPolarHBondContact CE-O 3.47Å; K61-A69 WeakPolarHBondContact CE-O 3.3Å; K61-A69 HydrophobicContact CG-CB 4.15Å; K61-A69 WeakPolarHBondContact CG-O 3.09Å
62F93.6Very high94Very high162 Ų16264.7 Ų64.771%0.71133%0.328SS*.Hα-helixtrans-68-46.5176.8-73.5-65.8000112.1T58 V59 L60 K64 C65T58-F62 HydrophobicContact CG2-CD2 3.8Å; T58-F62 HydrophobicContact CG2-CE2 3.46Å; T58-F62 VanDerWaalsContact CG2-CE2 3.46Å; T58-F62 WeakPolarHBondContact O-CD2 3.34Å; T58-F62 PolarHBondContact O-N 3.12Å; V59-F62 PolarHBondContact O-N 2.88Å; L60-F62 VanDerWaalsContact C-N 3.33Å; L60-F62 PolarHBondContact O-N 3.07Å; F62-K64 VanDerWaalsContact C-N 3.29Å; F62-K64 PolarHBondContact O-N 2.78Å; F62-C65 PolarHBondContact O-N 2.86Å
63K91.6Very high94Very high148 Ų14868.2 Ų68.264%0.64335%0.351SS*.Hα-helixtrans-62-35.1-178.8-171.1180-170.3173.70113.1V59 L60 E107V59-K63 WeakPolarHBondContact O-CB 3.45Å; V59-K63 PolarHBondContact O-N 2.9Å; L60-K63 PolarHBondContact O-N 2.82Å; K63-E107 WeakPolarHBondContact CD-OE1 3.15Å; K63-E107 IonicContact NZ-OE1 3.92Å; K63-E107 PolarHBondContact NZ-OE1 3.25Å
64K91.5Very high94Very high135 Ų13566.6 Ų66.659%0.58734%0.342SS*.Hα-helixtrans-95.9-4.2179.7-69.2-173.5170.9179.10114L60 F62 A66 A69L60-K64 HydrophobicContact CD1-CD 3.85Å; L60-K64 HydrophobicContact CD1-CG 4.12Å; L60-K64 HydrophobicContact CG-CD 4.1Å; L60-K64 WeakPolarHBondContact O-CB 3.45Å; L60-K64 PolarHBondContact O-N 3.28Å; F62-K64 VanDerWaalsContact C-N 3.29Å; F62-K64 PolarHBondContact O-N 2.78Å; K64-A66 HydrophobicContact CB-CB 3.91Å; K64-A66 PolarHBondContact O-N 2.99Å; K64-A69 HydrophobicContact CD-CB 4.44Å
65C92.3Very high94.1Very high118 Ų11864.9 Ų64.980%0.79733%0.331SS*.THydrogen-bonded Turntrans49.338.1-169.1-60.50000112.7K61 F62K61-C65 WeakPolarHBondContact O-CA 3.45Å; K61-C65 PolarHBondContact O-N 3.1Å; F62-C65 PolarHBondContact O-N 2.86Å
66A93.9Very high94.1Very high17 Ų1763.7 Ų63.714%0.1433%0.326CS..  trans-130.397.9-170.800000109.8K61 K64 E68 A69K61-A66 WeakPolarHBondContact CA-O 3.22Å; K61-A66 WeakPolarHBondContact CG-O 3.19Å; K61-A66 PolarHBondContact O-N 3.49Å; K64-A66 HydrophobicContact CB-CB 3.91Å; K64-A66 PolarHBondContact O-N 2.99Å; A66-E68 PolarHBondContact O-N 2.82Å; A66-E68 VanDerWaalsContact O-N 3.16Å; A66-A69 HydrophobicContact CB-CB 4.06Å; A66-A69 WeakPolarHBondContact O-CB 3.35Å; A66-A69 PolarHBondContact O-N 2.79Å
67P91.8Very high94.2Very high102 Ų10262.7 Ų62.766%0.66232%0.321SS*.THydrogen-bonded Turntrans-58.2-27.2-174.3-26.135.1000115.1K61K61-P67 VanDerWaalsContact CD-O 3.31Å; K61-P67 WeakPolarHBondContact CD-O 3.25Å; K61-P67 WeakPolarHBondContact CE-O 3.47Å
68E92.1Very high94.3Very high143 Ų14362.3 Ų62.367%0.66832%0.318SS*.THydrogen-bonded Turntrans-84.3-7.8177.972.9-70.1166.600113.7A66 K70A66-E68 PolarHBondContact O-N 2.82Å; A66-E68 VanDerWaalsContact O-N 3.16Å; E68-K70 PolarHBondContact O-N 2.84Å
69A92.4Very high94.5Very high13 Ų1361 Ų6111%0.10731%0.31CS..  trans-60.3134.1179.700000111.1L60 K61 K64 A66L60-A69 HydrophobicContact CD2-CB 4.19Å; L60-A69 HydrophobicContact CG-CB 4.07Å; K61-A69 WeakPolarHBondContact CE-O 3.3Å; K61-A69 HydrophobicContact CG-CB 4.15Å; K61-A69 WeakPolarHBondContact CG-O 3.09Å; K64-A69 HydrophobicContact CD-CB 4.44Å; A66-A69 HydrophobicContact CB-CB 4.06Å; A66-A69 WeakPolarHBondContact O-CB 3.35Å; A66-A69 PolarHBondContact O-N 2.79Å
70K93.4Very high94.7Very high153 Ų15358.3 Ų58.367%0.66529%0.294SS*.  trans-130.4152.3178.5-67.5179.5-176.5-179.20109.7L60 E68 Y72L60-K70 WeakPolarHBondContact CD2-O 3.41Å; E68-K70 PolarHBondContact O-N 2.84Å; K70-Y72 VanDerWaalsContact C-N 3.29Å; K70-Y72 PolarHBondContact O-N 2.95Å
71R93.5Very high95Very high15 Ų1556.8 Ų56.86%0.05729%0.286CS..SBendtrans-65.6-32.6177.8-169.6-171.1-166.7-176.34113Y51 F56 S57 L74 L106Y51-R71 PolarHBondContact O-NH1 3.08Å; F56-R71 HydrophobicContact CB-CG 4.34Å; F56-R71 VanDerWaalsContact CD2-NH1 3.28Å; F56-R71 VanDerWaalsContact CD2-NH2 3.27Å; S57-R71 WeakPolarHBondContact OG-CB 3.35Å; S57-R71 PolarHBondContact OG-N 3.3Å; R71-L74 HydrophobicContact CG-CD1 4.43Å; R71-L74 HydrophobicContact CG-CD2 4.26Å; R71-L106 PolarHBondContact NH2-O 2.99Å
72Y95Very high95.1Very high23 Ų2353 Ų539%0.0927%0.269CS..  trans-96.9146.6-177.3-61.5-98.2000111.3V6 Q7 A9 M47 G50 D53 K70 L74V6-Y72 HydrophobicContact CB-CD1 4.38Å; V6-Y72 HydrophobicContact CB-CE1 4.32Å; V6-Y72 HydrophobicContact CG1-CD1 4.14Å; V6-Y72 HydrophobicContact CG1-CE1 4Å; Q7-Y72 WeakPolarHBondContact O-CB 3.28Å; A9-Y72 HydrophobicContact CB-CD2 3.89Å; A9-Y72 HydrophobicContact CB-CE2 3.55Å; M47-Y72 PolarHBondContact O-OH 3.49Å; G50-Y72 WeakPolarHBondContact CA-OH 3.38Å; D53-Y72 HydrophobicContact CB-CE2 4Å; D53-Y72 WeakPolarHBondContact OD1-CE2 3.49Å; K70-Y72 VanDerWaalsContact C-N 3.29Å; K70-Y72 PolarHBondContact O-N 2.95Å; Y72-L74 HydrophobicContact CD1-CB 3.94Å; Y72-L74 HydrophobicContact CE1-CB 4.17Å; Y72-L74 HydrophobicContact CE1-CD2 4.29Å; Y72-L74 HydrophobicContact CG-CB 4.48Å
73P95.4Very high95.4Very high73 Ų7347.7 Ų47.747%0.47425%0.248SC..SBendcis-66.3144.31.528.8-36.6000113.2V6V6-P73 CarbonylContact O-C 3.59Å; V6-P73 VanDerWaalsContact O-CA 3.31Å; V6-P73 WeakPolarHBondContact O-CA 3.25Å
74L96Very high95.7Very high8 Ų840.7 Ų40.74%0.04222%0.218CC..EExtended strand (participates in β ladder)trans-128.9124-171.5178.264000111.4Q5 V6 M47 R71 Y72 L76Q5-L74 CarbonylContact C-O 3.52Å; Q5-L74 VanDerWaalsContact CA-O 3.28Å; Q5-L74 WeakPolarHBondContact CA-O 3.47Å; V6-L74 PolarHBondContact N-O 3.02Å; V6-L74 PolarHBondContact O-N 2.98Å; M47-L74 HydrophobicContact CE-CD2 3.66Å; R71-L74 HydrophobicContact CG-CD1 4.43Å; R71-L74 HydrophobicContact CG-CD2 4.26Å; Y72-L74 HydrophobicContact CD1-CB 3.94Å; Y72-L74 HydrophobicContact CE1-CB 4.17Å; Y72-L74 HydrophobicContact CE1-CD2 4.29Å; Y72-L74 HydrophobicContact CG-CB 4.48Å; L74-L76 HydrophobicContact CD2-CD2 4.18Å; L74-L76 HydrophobicContact CG-CD2 4.43Å
75T97.7Very high96Very high2 Ų236.6 Ų36.61%0.01220%0.204CC..EExtended strand (participates in β ladder)trans-72.1124.4165-51.10000109.4A3 Q5 S109 G110 A113A3-T75 HydrophobicContact CB-CG2 4.17Å; Q5-T75 WeakPolarHBondContact CG-OG1 3.24Å; Q5-T75 PolarHBondContact NE2-OG1 2.79Å; Q5-T75 VanDerWaalsContact NE2-OG1 3.09Å; T75-S109 WeakPolarHBondContact CB-OG 3.49Å; T75-S109 PolarHBondContact OG1-OG 3.03Å; T75-G110 WeakPolarHBondContact CG2-O 3.32Å; T75-G110 VanDerWaalsContact O-CA 3.26Å; T75-G110 WeakPolarHBondContact O-CA 3.33Å; T75-G110 PolarHBondContact O-N 3.47Å; T75-A113 HydrophobicContact CG2-CB 4.29Å
76L96.9Very high96.3Very high0 Ų035.2 Ų35.20%019%0.186CC..  trans-82.8177.3178.2-63.9-175.4000112W4 V6 V15 M47 Q48 L74 G110 T111 F112W4-L76 PolarHBondContact O-N 2.89Å; V6-L76 HydrophobicContact CG2-CD1 3.6Å; V6-L76 HydrophobicContact CG2-CD2 4.17Å; V6-L76 HydrophobicContact CG2-CG 3.82Å; V15-L76 HydrophobicContact CG1-CD1 3.58Å; V15-L76 HydrophobicContact CG1-CG 4.36Å; M47-L76 HydrophobicContact CB-CD2 4.09Å; M47-L76 HydrophobicContact CE-CD2 4.48Å; Q48-L76 HydrophobicContact CB-CD1 3.97Å; L74-L76 HydrophobicContact CD2-CD2 4.18Å; L74-L76 HydrophobicContact CG-CD2 4.43Å; L76-G110 CarbonylContact O-C 3.31Å; L76-G110 VanDerWaalsContact O-C 3.28Å; L76-G110 VanDerWaalsContact O-CA 3.29Å; L76-G110 WeakPolarHBondContact O-CA 3.14Å; L76-T111 PolarHBondContact O-N 3.32Å; L76-F112 HydrophobicContact CB-CD2 3.51Å; L76-F112 HydrophobicContact CB-CE2 3.54Å; L76-F112 HydrophobicContact CB-CG 4.29Å; L76-F112 HydrophobicContact CB-CZ 4.37Å; L76-F112 HydrophobicContact CD1-CE2 4.36Å; L76-F112 WeakPolarHBondContact O-CB 3.49Å; L76-F112 WeakPolarHBondContact O-CG 3.25Å; L76-F112 PolarHBondContact O-N 3.25Å
77G98Very high96.5Very high0 Ų036.4 Ų36.40%019%0.191CC..  trans97.9128.1176.100000113.1D44 G110 T111D44-G77 WeakPolarHBondContact OD1-CA 3.31Å; D44-G77 PolarHBondContact OD1-N 3.36Å; G77-G110 CarbonylContact O-C 3.39Å; G77-G110 WeakPolarHBondContact O-CA 3.36Å; G77-T111 WeakPolarHBondContact CA-OG1 3.13Å; G77-T111 PolarHBondContact O-N 3.4Å; G77-T111 PolarHBondContact O-OG1 2.87Å
78R98Very high96.9Very high0 Ų031.9 Ų31.90%016%0.163CC..SBendtrans-113.1-11.7-175.6-57.8-61.187.6-152.519.2114.3I43 S103 I104 S105 L106 G108 G110 T111 H140I43-R78 HydrophobicContact CG2-CG 3.84Å; R78-S103 CarbonylContact O-C 3.53Å; R78-S103 WeakPolarHBondContact O-CA 3.46Å; R78-S103 WeakPolarHBondContact O-CB 3.34Å; R78-S103 PolarHBondContact O-OG 3.07Å; R78-I104 VanDerWaalsContact NH1-CB 3.31Å; R78-I104 VanDerWaalsContact NH1-CG2 3.34Å; R78-I104 PolarHBondContact NH1-O 3.2Å; R78-I104 PolarHBondContact O-N 3.27Å; R78-I104 VanDerWaalsContact O-N 3.08Å; R78-S105 PolarHBondContact NH1-O 3.37Å; R78-L106 HydrophobicContact CG-CD2 4.19Å; R78-G108 PolarHBondContact NH1-O 2.98Å; R78-G108 PolarHBondContact NH2-O 3.4Å; R78-G110 VanDerWaalsContact NH2-N 3.16Å; R78-T111 PolarHBondContact N-OG1 3.1Å; R78-H140 HydrophobicContact CB-CB 4.38Å; R78-H140 WeakPolarHBondContact CB-ND1 3.47Å
79D98.4Very high97.1Very high0 Ų028.7 Ų28.70%017%0.169CC..EExtended strand (participates in β ladder)trans-112.7141.1-178.7-74.5-66000110.3F38 S39 N41 T111 A136 P139 H140 K346F38-D79 WeakPolarHBondContact CB-O 3.29Å; S39-D79 VanDerWaalsContact OG-CG 3.29Å; S39-D79 PolarHBondContact OG-OD2 3.07Å; N41-D79 PolarHBondContact ND2-OD2 3.49Å; D79-T111 WeakPolarHBondContact O-CB 3.26Å; D79-T111 WeakPolarHBondContact O-CG2 3.43Å; D79-T111 PolarHBondContact O-OG1 2.96Å; D79-A136 WeakPolarHBondContact CB-O 3.09Å; D79-P139 WeakPolarHBondContact OD1-CA 3Å; D79-P139 WeakPolarHBondContact OD1-CB 3.46Å; D79-P139 VanDerWaalsContact OD1-CD 3.25Å; D79-P139 WeakPolarHBondContact OD1-CD 3.46Å; D79-H140 VanDerWaalsContact CG-CB 3.46Å; D79-H140 WeakPolarHBondContact OD1-CA 3.45Å; D79-H140 WeakPolarHBondContact OD1-CB 3.16Å; D79-H140 PolarHBondContact OD1-N 3.41Å; D79-H140 WeakPolarHBondContact OD2-CB 3.41Å; D79-K346 IonicContact OD2-NZ 3.62Å
80F98.7Very high97.4Very high0 Ų033.4 Ų33.40%019%0.192CC..EExtended strand (participates in β ladder)trans-141.1156163.569-89.4000111.2V33 V35 A37 V100 F101 G102 I104 T111 V116 T118 T123V33-F80 HydrophobicContact CB-CD2 4.42Å; V33-F80 HydrophobicContact CB-CE2 4.23Å; V33-F80 HydrophobicContact CG1-CD2 3.97Å; V33-F80 HydrophobicContact CG1-CE2 4.03Å; V33-F80 HydrophobicContact CG2-CE2 3.95Å; V35-F80 HydrophobicContact CG1-CB 4.33Å; V35-F80 HydrophobicContact CG2-CB 4.36Å; A37-F80 CarbonylContact O-C 3.26Å; F80-V100 HydrophobicContact CE2-CG2 4.18Å; F80-F101 CarbonylContact O-C 3.59Å; F80-F101 WeakPolarHBondContact O-CA 3.49Å; F80-F101 WeakPolarHBondContact O-CB 3.32Å; F80-G102 VanDerWaalsContact CD1-O 3.25Å; F80-G102 WeakPolarHBondContact CD1-O 3.42Å; F80-G102 VanDerWaalsContact CE1-CA 3.45Å; F80-G102 VanDerWaalsContact CZ-CA 3.45Å; F80-G102 PolarHBondContact N-O 2.8Å; F80-G102 PolarHBondContact O-N 3.37Å; F80-I104 HydrophobicContact CD1-CD1 4.23Å; F80-I104 HydrophobicContact CD1-CG1 4.26Å; F80-I104 HydrophobicContact CE1-CD1 3.85Å; F80-I104 HydrophobicContact CE1-CG1 4.33Å; F80-T111 HydrophobicContact CB-CG2 3.82Å; F80-T111 HydrophobicContact CD1-CG2 3.82Å; F80-T111 HydrophobicContact CG-CG2 4.28Å; F80-V116 HydrophobicContact CB-CG1 4.36Å; F80-V116 HydrophobicContact CD1-CG1 4.02Å; F80-V116 HydrophobicContact CD2-CG1 4.19Å; F80-V116 HydrophobicContact CE1-CG1 4.37Å; F80-V116 HydrophobicContact CG-CG1 3.93Å; F80-T118 HydrophobicContact CE1-CG2 4.29Å; F80-T118 HydrophobicContact CZ-CG2 3.75Å; F80-T123 HydrophobicContact CE2-CG2 4.08Å; F80-T123 HydrophobicContact CZ-CG2 3.87Å
81S98.8Very high97.6Very high0 Ų026.9 Ų26.90%017%0.165CC..EExtended strand (participates in β ladder)trans-136.7145.7157.2710000108.3K36 A37 V100 F132K36-S81 PolarHBondContact N-O 2.99Å; A37-S81 PolarHBondContact N-O 3.1Å; A37-S81 VanDerWaalsContact N-O 3.07Å; A37-S81 PolarHBondContact O-N 2.73Å; A37-S81 PolarHBondContact O-OG 2.85Å; S81-V100 CarbonylContact C-O 3.56Å; S81-V100 WeakPolarHBondContact CA-O 3.43Å; S81-F132 VanDerWaalsContact OG-C 3.29Å; S81-F132 WeakPolarHBondContact OG-CA 3.49Å; S81-F132 WeakPolarHBondContact OG-CB 3.47Å; S81-F132 PolarHBondContact OG-O 2.84Å
82G98.7Very high97.8Very high0 Ų032.3 Ų32.30%020%0.2CC..EExtended strand (participates in β ladder)trans176.4-164.7-171.300000113.6K34 E99 V100 F132K34-G82 CarbonylContact O-C 3.5Å; K34-G82 WeakPolarHBondContact O-CA 3.42Å; G82-E99 CarbonylContact O-C 3.55Å; G82-E99 WeakPolarHBondContact O-CA 3.49Å; G82-V100 PolarHBondContact N-O 3.38Å; G82-V100 PolarHBondContact O-N 3.15Å; G82-F132 WeakPolarHBondContact O-CE1 3.28Å
83I98.7Very high98Very high51 Ų5134.1 Ų34.126%0.26222%0.22SC..EExtended strand (participates in β ladder)trans-116.5128.7-176-58170.9000108.5V33 K34 K36 T85 D98 F132V33-I83 CarbonylContact C-O 3.06Å; V33-I83 WeakPolarHBondContact CA-O 3.44Å; K34-I83 PolarHBondContact N-O 3.09Å; K34-I83 PolarHBondContact O-N 3.45Å; K36-I83 HydrophobicContact CG-CG1 4.46Å; I83-T85 PolarHBondContact O-N 3.45Å; I83-D98 WeakPolarHBondContact CA-O 3.37Å; I83-F132 HydrophobicContact CD1-CZ 4.36Å; I83-F132 HydrophobicContact CG1-CE1 4.34Å; I83-F132 HydrophobicContact CG1-CZ 3.9Å
84V98.8Very high98.1Very high1 Ų131.2 Ų31.21%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-63.1130.1174.3178.90000109.4V31 V33 V87 K95 P96 G97 D98 V100V31-V84 HydrophobicContact CG1-CB 4.46Å; V31-V84 HydrophobicContact CG1-CG1 3.8Å; V31-V84 HydrophobicContact CG1-CG2 3.94Å; V33-V84 HydrophobicContact CG2-CG2 4.39Å; V84-V87 HydrophobicContact CG1-CG1 3.53Å; V84-K95 WeakPolarHBondContact CB-O 3.42Å; V84-P96 CarbonylContact O-C 3.52Å; V84-P96 VanDerWaalsContact O-CA 3.31Å; V84-P96 WeakPolarHBondContact O-CA 3.44Å; V84-G97 PolarHBondContact O-N 3.36Å; V84-D98 HydrophobicContact CG2-CB 4.24Å; V84-D98 PolarHBondContact N-O 2.93Å; V84-V100 HydrophobicContact CG2-CB 4.34Å; V84-V100 HydrophobicContact CG2-CG1 3.63Å; V84-V100 HydrophobicContact CG2-CG2 3.72Å
85T98.2Very high98.2Very high49 Ų4936.4 Ų36.430%0.30122%0.222SC..EExtended strand (participates in β ladder)trans-111.4-32.8176.558.40000112.6V32 K34 I83 Y115V32-T85 WeakPolarHBondContact CG1-OG1 3.29Å; V32-T85 PolarHBondContact O-N 2.83Å; V32-T85 PolarHBondContact O-OG1 2.88Å; K34-T85 HydrophobicContact CB-CG2 3.79Å; I83-T85 PolarHBondContact O-N 3.45Å; T85-Y115 HydrophobicContact CG2-CE1 4.07Å
86Q98.4Very high98.3Very high90 Ų9039.8 Ų39.842%0.42124%0.244SC..EExtended strand (participates in β ladder)trans-144.7153.6177.8-53.2-179.918.700110.4L25 V32L25-Q86 HydrophobicContact CD1-CB 4.04Å; L25-Q86 HydrophobicContact CD2-CB 4.41Å; L25-Q86 HydrophobicContact CG-CB 4.35Å; V32-Q86 HydrophobicContact CB-CB 4.03Å; V32-Q86 HydrophobicContact CG2-CB 4.15Å; V32-Q86 PolarHBondContact N-O 2.82Å; V32-Q86 PolarHBondContact O-N 2.68Å
87V98.7Very high98.4Very high41 Ų4142.3 Ų42.325%0.24827%0.27CS..EExtended strand (participates in β ladder)trans-138.3144.7177.4-61.40000110.4L25 D30 V31 V84 V91L25-V87 VanDerWaalsContact CD1-O 3.25Å; L25-V87 WeakPolarHBondContact CD1-O 3.09Å; D30-V87 CarbonylContact O-C 3.54Å; V31-V87 HydrophobicContact CG1-CG1 4.34Å; V31-V87 HydrophobicContact CG2-CG1 4.44Å; V84-V87 HydrophobicContact CG1-CG1 3.53Å; V87-V91 HydrophobicContact CB-CB 3.88Å; V87-V91 HydrophobicContact CB-CG1 3.98Å; V87-V91 HydrophobicContact CB-CG2 4.2Å; V87-V91 HydrophobicContact CG1-CB 4.47Å; V87-V91 HydrophobicContact CG1-CG1 4.01Å; V87-V91 HydrophobicContact CG2-CB 4.49Å
88G98.3Very high98.4Very high7 Ų743.1 Ų43.17%0.07227%0.274CS..  trans-69.9162.5171.700000112P28 D30 N90 V91P28-G88 CarbonylContact O-C 3.54Å; P28-G88 VanDerWaalsContact O-CA 3.29Å; P28-G88 WeakPolarHBondContact O-CA 3.5Å; D30-G88 PolarHBondContact O-N 3.48Å; G88-N90 PolarHBondContact O-N 2.97Å; G88-N90 VanDerWaalsContact O-N 3.13Å; G88-V91 WeakPolarHBondContact O-CB 3.18Å; G88-V91 PolarHBondContact O-N 3.14Å; G88-V91 VanDerWaalsContact O-N 3.1Å
89G97.6Very high98.4Very high77 Ų7747.4 Ų47.479%0.79429%0.294SS*.THydrogen-bonded Turntrans-64.6-16.9-171.500000116.4P28P28-G89 PolarHBondContact O-N 3.44Å
90N97.8Very high98.5Very high112 Ų11247.4 Ų47.460%0.59929%0.294SS*.THydrogen-bonded Turntrans-101.1-1177.7-69-1.9000113.1P28 G88 V92P28-N90 HydrophobicContact CB-CB 3.9Å; P28-N90 WeakPolarHBondContact O-CA 3.38Å; P28-N90 WeakPolarHBondContact O-CB 3.49Å; P28-N90 PolarHBondContact O-N 3.47Å; G88-N90 PolarHBondContact O-N 2.97Å; G88-N90 VanDerWaalsContact O-N 3.13Å; N90-V92 PolarHBondContact O-N 2.7Å
91V98.5Very high98.5Very high15 Ų1547.4 Ų47.49%0.09129%0.294CS..  trans-75.8124.9177.5-179.80000109.2P28 D30 V31 V87 G88 L94 E120P28-V91 PolarHBondContact O-N 2.88Å; D30-V91 WeakPolarHBondContact O-CG2 3.46Å; V31-V91 HydrophobicContact CG2-CG1 4.01Å; V31-V91 HydrophobicContact CG2-CG2 3.95Å; V87-V91 HydrophobicContact CB-CB 3.88Å; V87-V91 HydrophobicContact CB-CG1 3.98Å; V87-V91 HydrophobicContact CB-CG2 4.2Å; V87-V91 HydrophobicContact CG1-CB 4.47Å; V87-V91 HydrophobicContact CG1-CG1 4.01Å; V87-V91 HydrophobicContact CG2-CB 4.49Å; G88-V91 WeakPolarHBondContact O-CB 3.18Å; G88-V91 PolarHBondContact O-N 3.14Å; G88-V91 VanDerWaalsContact O-N 3.1Å; V91-L94 HydrophobicContact CG1-CB 3.96Å; V91-E120 HydrophobicContact CG1-CB 4.23Å; V91-E120 HydrophobicContact CG1-CG 4.1Å; V91-E120 HydrophobicContact CG2-CB 4.24Å
92V97.8Very high98.5Very high129 Ų12947.4 Ų47.478%0.78229%0.294SS*.  trans-125.3-26.8-175-65.10000113.2N90 E120N90-V92 PolarHBondContact O-N 2.7Å; V92-E120 PolarHBondContact N-OE1 3.19Å
93A97.7Very high98.4Very high62 Ų6247.4 Ų47.451%0.51229%0.294SS..SBendtrans-82.8-19-177.900000113E120A93-E120 HydrophobicContact CB-CG 4.26Å; A93-E120 VanDerWaalsContact CB-OE1 3.3Å; A93-E120 WeakPolarHBondContact CB-OE1 3.46Å; A93-E120 PolarHBondContact N-OE1 2.69Å
94L98.6Very high98.3Very high11 Ų1145.6 Ų45.66%0.05829%0.285CS..  trans-129.3147.3-175.1-59.7176000110.5V31 V91 V100 T123 K125V31-L94 HydrophobicContact CG1-CD1 4.47Å; V31-L94 HydrophobicContact CG2-CD1 4.21Å; V91-L94 HydrophobicContact CG1-CB 3.96Å; L94-V100 HydrophobicContact CD1-CG1 4.46Å; L94-V100 HydrophobicContact CD2-CG1 3.76Å; L94-T123 HydrophobicContact CD1-CG2 3.76Å; L94-K125 HydrophobicContact CD2-CG 4.16Å
95K98.6Very high98Very high118 Ų11848 Ų4851%0.51330%0.302SS..  trans-141159.9174.667.3-178.8-171.8-55.90111.1V84 G97 D98V84-K95 WeakPolarHBondContact CB-O 3.42Å; K95-G97 PolarHBondContact O-N 2.78Å; K95-D98 PolarHBondContact N-OD2 3.43Å; K95-D98 IonicContact NZ-OD1 2.71Å; K95-D98 PolarHBondContact NZ-OD1 3.29Å; K95-D98 IonicContact NZ-OD2 3.79Å; K95-D98 VanDerWaalsContact O-CB 3.3Å; K95-D98 WeakPolarHBondContact O-CB 3.46Å; K95-D98 PolarHBondContact O-N 3.12Å; K95-D98 VanDerWaalsContact O-N 3.07Å
96P98.7Very high97.8Very high73 Ų7346.7 Ų46.747%0.47429%0.293SS..THydrogen-bonded Turntrans-49.4137.8172.3-28.336.5000112.8V84 D98V84-P96 CarbonylContact O-C 3.52Å; V84-P96 VanDerWaalsContact O-CA 3.31Å; V84-P96 WeakPolarHBondContact O-CA 3.44Å; P96-D98 VanDerWaalsContact C-N 3.34Å
97G98.5Very high97.4Very high52 Ų5245.8 Ų45.854%0.53629%0.289SS..THydrogen-bonded Turntrans87.8-12.6-174.700000115V84 K95 E99V84-G97 PolarHBondContact O-N 3.36Å; K95-G97 PolarHBondContact O-N 2.78Å; G97-E99 PolarHBondContact O-N 3.38Å
98D98.8Very high96.9Very high18 Ų1844.9 Ų44.910%0.09629%0.287CS..  trans-66.9132.7173.8-77-11.6000110.8I83 V84 K95 P96 V100 K125I83-D98 WeakPolarHBondContact CA-O 3.37Å; V84-D98 HydrophobicContact CG2-CB 4.24Å; V84-D98 PolarHBondContact N-O 2.93Å; K95-D98 PolarHBondContact N-OD2 3.43Å; K95-D98 IonicContact NZ-OD1 2.71Å; K95-D98 PolarHBondContact NZ-OD1 3.29Å; K95-D98 IonicContact NZ-OD2 3.79Å; K95-D98 VanDerWaalsContact O-CB 3.3Å; K95-D98 WeakPolarHBondContact O-CB 3.46Å; K95-D98 PolarHBondContact O-N 3.12Å; K95-D98 VanDerWaalsContact O-N 3.07Å; P96-D98 VanDerWaalsContact C-N 3.34Å; D98-V100 HydrophobicContact CB-CG1 4.23Å; D98-K125 WeakPolarHBondContact OD2-CE 3.36Å; D98-K125 IonicContact OD2-NZ 3.37Å; D98-K125 PolarHBondContact OD2-NZ 2.91Å
99E98.8Very high96.5Very high89 Ų8948 Ų4842%0.41631%0.309SS..EExtended strand (participates in β ladder)trans-81.1119171-55.6-170.9152.700110G82 G97 K125 K126 F132G82-E99 CarbonylContact O-C 3.55Å; G82-E99 WeakPolarHBondContact O-CA 3.49Å; G97-E99 PolarHBondContact O-N 3.38Å; E99-K125 WeakPolarHBondContact O-CA 3.37Å; E99-K126 HydrophobicContact CB-CD 4.29Å; E99-K126 HydrophobicContact CB-CG 3.9Å; E99-K126 PolarHBondContact O-N 3.02Å; E99-K126 WeakPolarHBondContact OE2-CE 3.37Å; E99-K126 IonicContact OE2-NZ 2.65Å; E99-K126 PolarHBondContact OE2-NZ 3.33Å; E99-F132 HydrophobicContact CB-CE1 4.02Å; E99-F132 HydrophobicContact CB-CZ 4.08Å; E99-F132 HydrophobicContact CG-CE1 4.23Å; E99-F132 HydrophobicContact CG-CZ 3.77Å; E99-F132 WeakPolarHBondContact OE1-CZ 3.31Å
100V98.9Very high96.4Very high0 Ų044.5 Ų44.50%027%0.272CS..EExtended strand (participates in β ladder)trans-129.6163.5-169.9-65.90000112.2V33 F80 S81 G82 V84 L94 D98 T123 A124V33-V100 HydrophobicContact CB-CG2 4.45Å; V33-V100 HydrophobicContact CG1-CG2 3.76Å; V33-V100 HydrophobicContact CG2-CG2 3.77Å; F80-V100 HydrophobicContact CE2-CG2 4.18Å; S81-V100 CarbonylContact C-O 3.56Å; S81-V100 WeakPolarHBondContact CA-O 3.43Å; G82-V100 PolarHBondContact N-O 3.38Å; G82-V100 PolarHBondContact O-N 3.15Å; V84-V100 HydrophobicContact CG2-CB 4.34Å; V84-V100 HydrophobicContact CG2-CG1 3.63Å; V84-V100 HydrophobicContact CG2-CG2 3.72Å; L94-V100 HydrophobicContact CD1-CG1 4.46Å; L94-V100 HydrophobicContact CD2-CG1 3.76Å; D98-V100 HydrophobicContact CB-CG1 4.23Å; V100-T123 HydrophobicContact CB-CG2 3.71Å; V100-T123 HydrophobicContact CG1-CG2 4.12Å; V100-T123 HydrophobicContact CG2-CG2 3.97Å; V100-A124 CarbonylContact C-O 3.59Å; V100-A124 WeakPolarHBondContact CA-O 3.38Å; V100-A124 WeakPolarHBondContact CB-O 3.12Å
101F98.9Very high96.4Very high0 Ų039.2 Ų39.20%024%0.244CC..EExtended strand (participates in β ladder)trans-143.5153.5169.374.3-38.7000109.4F80 A124 K125 K126 A135 F138 P139 L306 A310F80-F101 CarbonylContact O-C 3.59Å; F80-F101 WeakPolarHBondContact O-CA 3.49Å; F80-F101 WeakPolarHBondContact O-CB 3.32Å; F101-A124 HydrophobicContact CD1-CB 4.2Å; F101-A124 WeakPolarHBondContact CD1-O 3.5Å; F101-A124 HydrophobicContact CE1-CB 3.76Å; F101-A124 PolarHBondContact N-O 2.8Å; F101-A124 PolarHBondContact O-N 3.26Å; F101-K125 WeakPolarHBondContact CE1-O 3.2Å; F101-K126 HydrophobicContact CB-CB 4.09Å; F101-K126 VanDerWaalsContact CD1-CA 3.41Å; F101-K126 HydrophobicContact CD1-CB 3.94Å; F101-K126 HydrophobicContact CG-CB 4.07Å; F101-A135 HydrophobicContact CB-CB 4.43Å; F101-A135 WeakPolarHBondContact CD2-O 3.39Å; F101-F138 HydrophobicContact CD2-CB 4.41Å; F101-F138 HydrophobicContact CE2-CB 4.05Å; F101-P139 HydrophobicContact CB-CG 4.15Å; F101-P139 HydrophobicContact CD2-CG 3.65Å; F101-P139 HydrophobicContact CE2-CG 4.43Å; F101-P139 HydrophobicContact CG-CG 4.2Å; F101-L306 HydrophobicContact CE1-CB 3.97Å; F101-L306 HydrophobicContact CE2-CB 4.48Å; F101-L306 HydrophobicContact CE2-CD2 4.15Å; F101-L306 HydrophobicContact CZ-CB 3.81Å; F101-L306 HydrophobicContact CZ-CD2 4.3Å; F101-L306 WeakPolarHBondContact CZ-O 3.43Å; F101-A310 HydrophobicContact CE1-CB 4.12Å; F101-A310 HydrophobicContact CZ-CB 3.95Å
102G98.7Very high96.4Very high0 Ų038.5 Ų38.50%024%0.239CC..EExtended strand (participates in β ladder)trans-172.1171.1-173.600000112.9F80 T122 P139F80-G102 VanDerWaalsContact CD1-O 3.25Å; F80-G102 WeakPolarHBondContact CD1-O 3.42Å; F80-G102 VanDerWaalsContact CE1-CA 3.45Å; F80-G102 VanDerWaalsContact CZ-CA 3.45Å; F80-G102 PolarHBondContact N-O 2.8Å; F80-G102 PolarHBondContact O-N 3.37Å; G102-T122 WeakPolarHBondContact CA-O 3.35Å; G102-P139 WeakPolarHBondContact O-CB 3.38Å; G102-P139 WeakPolarHBondContact O-CG 3.37Å
103S97.7Very high96.4Very high0 Ų032.4 Ų32.40%020%0.203CC..EExtended strand (participates in β ladder)trans-122.8141.8175.1-169.10000110.4R78 T122 P301R78-S103 CarbonylContact O-C 3.53Å; R78-S103 WeakPolarHBondContact O-CA 3.46Å; R78-S103 WeakPolarHBondContact O-CB 3.34Å; R78-S103 PolarHBondContact O-OG 3.07Å; S103-T122 PolarHBondContact N-O 3.15Å; S103-P301 WeakPolarHBondContact O-CB 3.26Å; S103-P301 WeakPolarHBondContact O-CG 3.42Å
104I96.4Very high96.4Very high13 Ų1330.3 Ų30.37%0.06718%0.183CC..  trans-98.9136.4175-52.3-62.8000109.1R78 F80 T111 V116 T118R78-I104 VanDerWaalsContact NH1-CB 3.31Å; R78-I104 VanDerWaalsContact NH1-CG2 3.34Å; R78-I104 PolarHBondContact NH1-O 3.2Å; R78-I104 PolarHBondContact O-N 3.27Å; R78-I104 VanDerWaalsContact O-N 3.08Å; F80-I104 HydrophobicContact CD1-CD1 4.23Å; F80-I104 HydrophobicContact CD1-CG1 4.26Å; F80-I104 HydrophobicContact CE1-CD1 3.85Å; F80-I104 HydrophobicContact CE1-CG1 4.33Å; I104-T111 HydrophobicContact CB-CG2 4.49Å; I104-T111 HydrophobicContact CG1-CG2 3.59Å; I104-V116 HydrophobicContact CD1-CG2 3.71Å; I104-V116 HydrophobicContact CG1-CG2 3.81Å; I104-T118 WeakPolarHBondContact CD1-OG1 3.32Å
105S93.5Very high96.4Very high52 Ų5232 Ų3236%0.36419%0.189SC..  trans-58.3152.5177.270.20000111.5R78 E107 G108R78-S105 PolarHBondContact NH1-O 3.37Å; S105-E107 PolarHBondContact O-N 3.48Å; S105-E107 VanDerWaalsContact O-N 3.1Å; S105-G108 PolarHBondContact O-N 2.9Å
106L93Very high96.4Very high22 Ų2226.6 Ų26.612%0.11517%0.166CC..THydrogen-bonded Turntrans-60.9-23.3-177.7-59.1-174.2000113.6I43 M47 F56 R71 R78I43-L106 HydrophobicContact CD1-CD1 4.46Å; I43-L106 HydrophobicContact CG1-CD1 4.41Å; I43-L106 HydrophobicContact CG1-CD2 3.83Å; M47-L106 HydrophobicContact SD-CD2 4.1Å; F56-L106 HydrophobicContact CE1-CB 4.08Å; F56-L106 HydrophobicContact CE2-CB 4.02Å; F56-L106 HydrophobicContact CZ-CB 3.45Å; F56-L106 VanDerWaalsContact CZ-CB 3.45Å; F56-L106 HydrophobicContact CZ-CD1 4.28Å; R71-L106 PolarHBondContact NH2-O 2.99Å; R78-L106 HydrophobicContact CG-CD2 4.19Å
107E90.3Very high96.3Very high71 Ų7125.9 Ų25.933%0.33216%0.158SC..THydrogen-bonded Turntrans-72.3-32.7175.1-171.5-165.614200112.4F56 V59 K63 S105F56-E107 HydrophobicContact CD1-CB 3.92Å; F56-E107 HydrophobicContact CD1-CG 4.25Å; F56-E107 HydrophobicContact CE1-CB 4.11Å; V59-E107 HydrophobicContact CG1-CG 4.38Å; K63-E107 WeakPolarHBondContact CD-OE1 3.15Å; K63-E107 IonicContact NZ-OE1 3.92Å; K63-E107 PolarHBondContact NZ-OE1 3.25Å; S105-E107 PolarHBondContact O-N 3.48Å; S105-E107 VanDerWaalsContact O-N 3.1Å
108G88.6Confident96.3Very high21 Ų2123.6 Ų23.622%0.21613%0.133CC..SBendtrans-80.3154.4-172.600000114.5R78 S105 G110R78-G108 PolarHBondContact NH1-O 2.98Å; R78-G108 PolarHBondContact NH2-O 3.4Å; S105-G108 PolarHBondContact O-N 2.9Å; G108-G110 PolarHBondContact O-N 3.23Å
109S89.3Confident96.2Very high74 Ų7425 Ų2552%0.51714%0.139SC..  trans-57.1136.2168.7-1760000110.6T75T75-S109 WeakPolarHBondContact CB-OG 3.49Å; T75-S109 PolarHBondContact OG1-OG 3.03Å
110G96.3Very high96.2Very high3 Ų322.8 Ų22.83%0.03113%0.128CC..  trans-84.4-174.5-169.200000117.1T75 L76 G77 R78 G108T75-G110 WeakPolarHBondContact CG2-O 3.32Å; T75-G110 VanDerWaalsContact O-CA 3.26Å; T75-G110 WeakPolarHBondContact O-CA 3.33Å; T75-G110 PolarHBondContact O-N 3.47Å; L76-G110 CarbonylContact O-C 3.31Å; L76-G110 VanDerWaalsContact O-C 3.28Å; L76-G110 VanDerWaalsContact O-CA 3.29Å; L76-G110 WeakPolarHBondContact O-CA 3.14Å; G77-G110 CarbonylContact O-C 3.39Å; G77-G110 WeakPolarHBondContact O-CA 3.36Å; R78-G110 VanDerWaalsContact NH2-N 3.16Å; G108-G110 PolarHBondContact O-N 3.23Å
111T98Very high96.1Very high0 Ų029.5 Ų29.50%015%0.154CC..SBendtrans-101.3-1.9-167.361.30000114.4F38 L76 G77 R78 D79 F80 I104 A113 V116F38-T111 VanDerWaalsContact CD1-O 3.32Å; F38-T111 WeakPolarHBondContact CD1-O 3.43Å; L76-T111 PolarHBondContact O-N 3.32Å; G77-T111 WeakPolarHBondContact CA-OG1 3.13Å; G77-T111 PolarHBondContact O-N 3.4Å; G77-T111 PolarHBondContact O-OG1 2.87Å; R78-T111 PolarHBondContact N-OG1 3.1Å; D79-T111 WeakPolarHBondContact O-CB 3.26Å; D79-T111 WeakPolarHBondContact O-CG2 3.43Å; D79-T111 PolarHBondContact O-OG1 2.96Å; F80-T111 HydrophobicContact CB-CG2 3.82Å; F80-T111 HydrophobicContact CD1-CG2 3.82Å; F80-T111 HydrophobicContact CG-CG2 4.28Å; I104-T111 HydrophobicContact CB-CG2 4.49Å; I104-T111 HydrophobicContact CG1-CG2 3.59Å; T111-A113 PolarHBondContact O-N 3.3Å; T111-V116 HydrophobicContact CG2-CG2 4.13Å
112F98.1Very high96.1Very high0 Ų030 Ų300%016%0.156CC..SBendtrans-74.460.1172.8-62-4.9000110.3A3 W4 F38 V40 D44 L76 T331 L335A3-F112 CarbonylContact C-O 3.6Å; A3-F112 VanDerWaalsContact CA-O 3.31Å; A3-F112 WeakPolarHBondContact CA-O 3.29Å; W4-F112 HydrophobicContact CB-CB 3.9Å; W4-F112 HydrophobicContact CB-CD2 4.4Å; W4-F112 PolarHBondContact N-O 2.77Å; F38-F112 HydrophobicContact CD1-CD1 4.44Å; F38-F112 AromaticContact CD2-CD1 3.18Å; F38-F112 HydrophobicContact CD2-CD1 3.18Å; F38-F112 AromaticContact CD2-CE1 3.4Å; F38-F112 HydrophobicContact CD2-CE1 3.4Å; F38-F112 HydrophobicContact CD2-CG 4.22Å; F38-F112 HydrophobicContact CE1-CD1 4.45Å; F38-F112 HydrophobicContact CE2-CB 4.26Å; F38-F112 AromaticContact CE2-CD1 3.17Å; F38-F112 HydrophobicContact CE2-CD1 3.17Å; F38-F112 AromaticContact CE2-CE1 3.6Å; F38-F112 HydrophobicContact CE2-CE1 3.6Å; F38-F112 AromaticContact CE2-CG 3.78Å; F38-F112 HydrophobicContact CE2-CG 3.78Å; F38-F112 AromaticContact CG-CD1 3.86Å; F38-F112 HydrophobicContact CG-CD1 3.86Å; F38-F112 HydrophobicContact CG-CE1 4.32Å; F38-F112 HydrophobicContact CZ-CB 4.11Å; F38-F112 AromaticContact CZ-CD1 3.86Å; F38-F112 HydrophobicContact CZ-CD1 3.86Å; F38-F112 HydrophobicContact CZ-CG 4.14Å; V40-F112 HydrophobicContact CB-CZ 4.32Å; V40-F112 HydrophobicContact CG1-CE1 4.13Å; V40-F112 HydrophobicContact CG1-CE2 4.44Å; V40-F112 HydrophobicContact CG1-CZ 3.68Å; D44-F112 HydrophobicContact CB-CE2 4.48Å; D44-F112 HydrophobicContact CB-CZ 4.22Å; L76-F112 HydrophobicContact CB-CD2 3.51Å; L76-F112 HydrophobicContact CB-CE2 3.54Å; L76-F112 HydrophobicContact CB-CG 4.29Å; L76-F112 HydrophobicContact CB-CZ 4.37Å; L76-F112 HydrophobicContact CD1-CE2 4.36Å; L76-F112 WeakPolarHBondContact O-CB 3.49Å; L76-F112 WeakPolarHBondContact O-CG 3.25Å; L76-F112 PolarHBondContact O-N 3.25Å; F112-T331 HydrophobicContact CD2-CG2 3.8Å; F112-T331 HydrophobicContact CE2-CG2 4.13Å; F112-T331 HydrophobicContact CG-CG2 4.2Å; F112-L335 HydrophobicContact CE2-CD1 4.17Å; F112-L335 HydrophobicContact CE2-CD2 4.08Å; F112-L335 HydrophobicContact CE2-CG 4.42Å; F112-L335 HydrophobicContact CZ-CD2 4.31Å
113A97.9Very high96.1Very high1 Ų130.3 Ų30.31%0.00816%0.159CC..BIsolated β-bridgetrans-153.8164.8-175.200000110.6M1 S2 A3 V35 T75 T111 Y115M1-A113 HydrophobicContact SD-CB 4.5Å; S2-A113 CarbonylContact O-C 3.24Å; S2-A113 VanDerWaalsContact O-CA 3.24Å; S2-A113 WeakPolarHBondContact O-CA 3.34Å; A3-A113 HydrophobicContact CB-CB 3.64Å; V35-A113 WeakPolarHBondContact CB-O 3.39Å; T75-A113 HydrophobicContact CG2-CB 4.29Å; T111-A113 PolarHBondContact O-N 3.3Å; A113-Y115 VanDerWaalsContact C-N 3.3Å; A113-Y115 PolarHBondContact O-N 2.84Å
114D98Very high96.1Very high19 Ų1930.4 Ų30.410%0.10216%0.159CC..SBendtrans-67.4-31.8175.5-58.9-32.9000113M1 S2 K34 V35 N351M1-D114 HydrophobicContact CB-CB 4.31Å; S2-D114 WeakPolarHBondContact CB-OD2 3.13Å; S2-D114 PolarHBondContact N-OD2 2.83Å; S2-D114 PolarHBondContact O-N 3.16Å; K34-D114 CarbonylContact C-O 3.6Å; V35-D114 PolarHBondContact N-O 3.38Å; D114-N351 WeakPolarHBondContact CA-ND2 3Å; D114-N351 PolarHBondContact OD1-ND2 2.85Å
115Y98Very high96.2Very high47 Ų4734.7 Ų34.718%0.18418%0.178CC..EExtended strand (participates in β ladder)trans-134.2148178.2-61.6-98.1000111M1 M22 V32 V33 K34 T85 A113M1-Y115 HydrophobicContact CB-CD2 4.2Å; M1-Y115 HydrophobicContact SD-CD2 4.29Å; M22-Y115 HydrophobicContact CE-CD1 3.89Å; M22-Y115 HydrophobicContact CE-CD2 3.65Å; M22-Y115 HydrophobicContact CE-CE1 3.9Å; M22-Y115 HydrophobicContact CE-CE2 3.71Å; M22-Y115 HydrophobicContact CE-CG 3.77Å; M22-Y115 HydrophobicContact SD-CD2 3.74Å; M22-Y115 HydrophobicContact SD-CE2 3.92Å; M22-Y115 HydrophobicContact SD-CG 4.33Å; V32-Y115 HydrophobicContact CG1-CD1 4.17Å; V33-Y115 VanDerWaalsContact O-CA 3.26Å; V33-Y115 WeakPolarHBondContact O-CA 3.35Å; K34-Y115 HydrophobicContact CB-CD1 3.92Å; K34-Y115 HydrophobicContact CB-CE1 3.56Å; K34-Y115 HydrophobicContact CD-CE1 4.2Å; K34-Y115 HydrophobicContact CG-CD1 4.38Å; K34-Y115 HydrophobicContact CG-CE1 3.83Å; T85-Y115 HydrophobicContact CG2-CE1 4.07Å; A113-Y115 VanDerWaalsContact C-N 3.3Å; A113-Y115 PolarHBondContact O-N 2.84Å
116V97.6Very high96.5Very high4 Ų433 Ų332%0.02416%0.164CC..EExtended strand (participates in β ladder)trans-129.2139.517466.60000110.5V32 V33 V35 F80 I104 T111V32-V116 WeakPolarHBondContact CA-O 3.39Å; V33-V116 HydrophobicContact CB-CG1 3.97Å; V33-V116 PolarHBondContact N-O 3.21Å; V33-V116 PolarHBondContact O-N 3.01Å; V35-V116 HydrophobicContact CG2-CB 4.08Å; V35-V116 HydrophobicContact CG2-CG1 3.77Å; F80-V116 HydrophobicContact CB-CG1 4.36Å; F80-V116 HydrophobicContact CD1-CG1 4.02Å; F80-V116 HydrophobicContact CD2-CG1 4.19Å; F80-V116 HydrophobicContact CE1-CG1 4.37Å; F80-V116 HydrophobicContact CG-CG1 3.93Å; I104-V116 HydrophobicContact CD1-CG2 3.71Å; I104-V116 HydrophobicContact CG1-CG2 3.81Å; T111-V116 HydrophobicContact CG2-CG2 4.13Å
117L97.5Very high96.8Very high58 Ų5832 Ų3230%0.30416%0.158SC..EExtended strand (participates in β ladder)trans-90.5118.1165.8-17268000108.4P23 L25 D30 V32P23-L117 HydrophobicContact CB-CB 4.03Å; L25-L117 HydrophobicContact CD2-CD1 4.41Å; D30-L117 HydrophobicContact CB-CD1 3.78Å; V32-L117 HydrophobicContact CG2-CD1 3.88Å
118T97.6Very high97.2Very high4 Ų439.2 Ų39.23%0.02518%0.183CC..EExtended strand (participates in β ladder)trans-128179.6-179.8-172.40000109.6D30 V31 V33 F80 I104 T122 T123D30-T118 CarbonylContact C-O 3.57Å; D30-T118 WeakPolarHBondContact CA-O 3.44Å; V31-T118 HydrophobicContact CB-CG2 3.86Å; V31-T118 HydrophobicContact CG1-CG2 4.28Å; V31-T118 PolarHBondContact N-O 3.33Å; V31-T118 WeakPolarHBondContact O-CG2 3.45Å; V31-T118 PolarHBondContact O-N 3.25Å; V33-T118 HydrophobicContact CG2-CG2 3.94Å; F80-T118 HydrophobicContact CE1-CG2 4.29Å; F80-T118 HydrophobicContact CZ-CG2 3.75Å; I104-T118 WeakPolarHBondContact CD1-OG1 3.32Å; T118-T122 PolarHBondContact OG1-OG1 3.06Å; T118-T123 HydrophobicContact CG2-CG2 4.39Å; T118-T123 WeakPolarHBondContact CG2-OG1 3.31Å; T118-T123 PolarHBondContact OG1-OG1 2.73Å
119K97.6Very high97.6Very high47 Ų4741.8 Ų41.820%0.20420%0.197CC..EExtended strand (participates in β ladder)trans-107.6153.4173.9-57.9-56-156.8164.10110.8H27 D29 D30 W121 T122 T123H27-K119 VanDerWaalsContact CB-NZ 3.34Å; D29-K119 WeakPolarHBondContact O-CA 3.31Å; D29-K119 IonicContact OD1-NZ 3.65Å; D29-K119 PolarHBondContact OD1-NZ 2.81Å; D29-K119 VanDerWaalsContact OD2-CD 3.31Å; D29-K119 WeakPolarHBondContact OD2-CD 3.28Å; D29-K119 WeakPolarHBondContact OD2-CE 3.46Å; D29-K119 IonicContact OD2-NZ 3.95Å; D29-K119 PolarHBondContact OD2-NZ 2.77Å; D30-K119 WeakPolarHBondContact OD1-CD 3.4Å; D30-K119 WeakPolarHBondContact OD1-CE 3.36Å; D30-K119 IonicContact OD1-NZ 2.72Å; D30-K119 PolarHBondContact OD1-NZ 2.67Å; K119-W121 VanDerWaalsContact C-N 3.27Å; K119-W121 HydrophobicContact CB-CG 4.26Å; K119-W121 PolarHBondContact O-N 3.17Å; K119-T122 HydrophobicContact CB-CG2 4.22Å; K119-T122 PolarHBondContact N-OG1 3.3Å; K119-T122 PolarHBondContact O-N 2.76Å; K119-T122 PolarHBondContact O-OG1 2.97Å; K119-T123 WeakPolarHBondContact O-CB 3.21Å; K119-T123 PolarHBondContact O-N 2.97Å; K119-T123 PolarHBondContact O-OG1 3.46Å
120E98.1Very high98Very high42 Ų4239 Ų3920%0.19618%0.177CC..G310 helixtrans-53.6-46.3172.3-178.8-177.5-132.800111.4D29 V31 V91 V92 A93 T122 T123D29-E120 PolarHBondContact O-N 2.78Å; V31-E120 HydrophobicContact CG2-CB 4.37Å; V91-E120 HydrophobicContact CG1-CB 4.23Å; V91-E120 HydrophobicContact CG1-CG 4.1Å; V91-E120 HydrophobicContact CG2-CB 4.24Å; V92-E120 PolarHBondContact N-OE1 3.19Å; A93-E120 HydrophobicContact CB-CG 4.26Å; A93-E120 VanDerWaalsContact CB-OE1 3.3Å; A93-E120 WeakPolarHBondContact CB-OE1 3.46Å; A93-E120 PolarHBondContact N-OE1 2.69Å; E120-T122 PolarHBondContact O-N 2.63Å; E120-T123 PolarHBondContact O-N 2.94Å
121W97.6Very high98.1Very high142 Ų14241.3 Ų41.354%0.53819%0.193SC..G310 helixtrans-73.6-10.4-176.264.3-91.2000114.6K119 P301 G303K119-W121 VanDerWaalsContact C-N 3.27Å; K119-W121 HydrophobicContact CB-CG 4.26Å; K119-W121 PolarHBondContact O-N 3.17Å; W121-P301 VanDerWaalsContact CZ3-O 3.28Å; W121-P301 WeakPolarHBondContact CZ3-O 3.28Å; W121-G303 WeakPolarHBondContact O-CA 3.45Å; W121-G303 PolarHBondContact O-N 2.99Å
122T98Very high98.2Very high9 Ų943.4 Ų43.46%0.05520%0.202CC..G310 helixtrans-102.82.4175.260.90000113G102 S103 T118 K119 E120 P301G102-T122 WeakPolarHBondContact CA-O 3.35Å; S103-T122 PolarHBondContact N-O 3.15Å; T118-T122 PolarHBondContact OG1-OG1 3.06Å; K119-T122 HydrophobicContact CB-CG2 4.22Å; K119-T122 PolarHBondContact N-OG1 3.3Å; K119-T122 PolarHBondContact O-N 2.76Å; K119-T122 PolarHBondContact O-OG1 2.97Å; E120-T122 PolarHBondContact O-N 2.63Å; T122-P301 HydrophobicContact CG2-CB 3.43Å; T122-P301 VanDerWaalsContact CG2-CB 3.43Å; T122-P301 HydrophobicContact CG2-CG 4.46Å
123T98.7Very high98.2Very high8 Ų843.7 Ų43.75%0.04920%0.204CC..EExtended strand (participates in β ladder)trans-129.4139.1-170-51.10000109.6F80 L94 V100 T118 K119 E120F80-T123 HydrophobicContact CE2-CG2 4.08Å; F80-T123 HydrophobicContact CZ-CG2 3.87Å; L94-T123 HydrophobicContact CD1-CG2 3.76Å; V100-T123 HydrophobicContact CB-CG2 3.71Å; V100-T123 HydrophobicContact CG1-CG2 4.12Å; V100-T123 HydrophobicContact CG2-CG2 3.97Å; T118-T123 HydrophobicContact CG2-CG2 4.39Å; T118-T123 WeakPolarHBondContact CG2-OG1 3.31Å; T118-T123 PolarHBondContact OG1-OG1 2.73Å; K119-T123 WeakPolarHBondContact O-CB 3.21Å; K119-T123 PolarHBondContact O-N 2.97Å; K119-T123 PolarHBondContact O-OG1 3.46Å; E120-T123 PolarHBondContact O-N 2.94Å
124A98.7Very high98.2Very high2 Ų246.8 Ų46.82%0.01722%0.219CC..EExtended strand (participates in β ladder)trans-133.2163.8176.600000110.1V100 F101 K126 L306V100-A124 CarbonylContact C-O 3.59Å; V100-A124 WeakPolarHBondContact CA-O 3.38Å; V100-A124 WeakPolarHBondContact CB-O 3.12Å; F101-A124 HydrophobicContact CD1-CB 4.2Å; F101-A124 WeakPolarHBondContact CD1-O 3.5Å; F101-A124 HydrophobicContact CE1-CB 3.76Å; F101-A124 PolarHBondContact N-O 2.8Å; F101-A124 PolarHBondContact O-N 3.26Å; A124-K126 PolarHBondContact O-N 2.72Å; A124-L306 HydrophobicContact CB-CB 3.69Å
125K98.9Very high98.3Very high103 Ų10345.9 Ų45.945%0.44821%0.214SC..EExtended strand (participates in β ladder)trans-65.4131.8167.8-67.2-177.6180-179.20108.9L94 D98 E99 F101L94-K125 HydrophobicContact CD2-CG 4.16Å; D98-K125 WeakPolarHBondContact OD2-CE 3.36Å; D98-K125 IonicContact OD2-NZ 3.37Å; D98-K125 PolarHBondContact OD2-NZ 2.91Å; E99-K125 WeakPolarHBondContact O-CA 3.37Å; F101-K125 WeakPolarHBondContact CE1-O 3.2Å
126K98.8Very high98.3Very high16 Ų1643.6 Ų43.67%0.0721%0.205CC..PPolyproline II helixtrans-66.3156.1178.972.8158.1-174.861.10110.7E99 F101 A124 R128 V130 F132 A135E99-K126 HydrophobicContact CB-CD 4.29Å; E99-K126 HydrophobicContact CB-CG 3.9Å; E99-K126 PolarHBondContact O-N 3.02Å; E99-K126 WeakPolarHBondContact OE2-CE 3.37Å; E99-K126 IonicContact OE2-NZ 2.65Å; E99-K126 PolarHBondContact OE2-NZ 3.33Å; F101-K126 HydrophobicContact CB-CB 4.09Å; F101-K126 VanDerWaalsContact CD1-CA 3.41Å; F101-K126 HydrophobicContact CD1-CB 3.94Å; F101-K126 HydrophobicContact CG-CB 4.07Å; A124-K126 PolarHBondContact O-N 2.72Å; K126-R128 PolarHBondContact O-N 3.21Å; K126-V130 PolarHBondContact NZ-O 3.08Å; K126-F132 HydrophobicContact CD-CD1 3.88Å; K126-F132 HydrophobicContact CD-CE1 3.95Å; K126-A135 HydrophobicContact CB-CB 3.91Å; K126-A135 HydrophobicContact CD-CB 3.86Å
127P98.8Very high98.3Very high0 Ų043.5 Ų43.50%020%0.204CC..PPolyproline II helixtrans-54.6139.7169.3-0.41.7000110.4S129 V130 A310 V313 D314P127-S129 VanDerWaalsContact C-N 3.34Å; P127-V130 HydrophobicContact CB-CG2 3.91Å; P127-V130 HydrophobicContact CG-CG2 3.73Å; P127-A310 HydrophobicContact CB-CB 4.32Å; P127-A310 HydrophobicContact CG-CB 4.11Å; P127-V313 HydrophobicContact CB-CB 3.92Å; P127-V313 HydrophobicContact CB-CG1 3.7Å; P127-V313 HydrophobicContact CG-CB 3.91Å; P127-V313 HydrophobicContact CG-CG1 3.79Å; P127-V313 HydrophobicContact CG-CG2 4.4Å; P127-D314 WeakPolarHBondContact CA-OD1 3.47Å; P127-D314 WeakPolarHBondContact CB-OD1 3.4Å
128R98.2Very high98.4Very high224 Ų22441 Ų4185%0.84519%0.191SC*.THydrogen-bonded Turntrans-75.4-28.8-179.1-63.8-179.1-179.5179.50.7111.6K126 V130 D314K126-R128 PolarHBondContact O-N 3.21Å; R128-V130 VanDerWaalsContact C-N 3.27Å; R128-V130 PolarHBondContact O-N 3.31Å; R128-D314 PolarHBondContact N-OD1 3.33Å; R128-D314 PolarHBondContact N-OD2 3.32Å
129S98.1Very high98.4Very high75 Ų7540.8 Ų40.852%0.52419%0.19SC..THydrogen-bonded Turntrans-76.9-6.6-175.264.50000114.7P127 D314P127-S129 VanDerWaalsContact C-N 3.34Å; S129-D314 PolarHBondContact N-OD1 3.3Å; S129-D314 PolarHBondContact OG-OD1 3.28Å; S129-D314 VanDerWaalsContact OG-OD1 3.12Å
130V98.5Very high98.5Very high15 Ų1539.3 Ų39.39%0.09118%0.183CC..SBendtrans-128.3155.8-173.9-54.20000113K126 P127 R128 E134 A135 V313 P320K126-V130 PolarHBondContact NZ-O 3.08Å; P127-V130 HydrophobicContact CB-CG2 3.91Å; P127-V130 HydrophobicContact CG-CG2 3.73Å; R128-V130 VanDerWaalsContact C-N 3.27Å; R128-V130 PolarHBondContact O-N 3.31Å; V130-E134 HydrophobicContact CB-CB 3.85Å; V130-E134 HydrophobicContact CG2-CB 4.22Å; V130-A135 HydrophobicContact CG2-CB 4.11Å; V130-V313 HydrophobicContact CG1-CG1 3.6Å; V130-V313 HydrophobicContact CG2-CG1 4.49Å; V130-P320 HydrophobicContact CG1-CG 4.35Å
131S98.5Very high98.5Very high52 Ų5237.5 Ų37.536%0.36418%0.175SC..  trans-66.8166174.364.70000112.5A133 E134 A135S131-A133 VanDerWaalsContact C-N 3.33Å; S131-A133 PolarHBondContact O-N 2.95Å; S131-E134 WeakPolarHBondContact CB-OE2 3.33Å; S131-E134 PolarHBondContact N-OE2 2.79Å; S131-E134 PolarHBondContact O-N 2.93Å; S131-E134 WeakPolarHBondContact OG-CB 3.04Å; S131-E134 VanDerWaalsContact OG-CG 3.32Å; S131-E134 WeakPolarHBondContact OG-CG 3.49Å; S131-E134 PolarHBondContact OG-N 2.88Å; S131-E134 PolarHBondContact OG-OE2 2.9Å; S131-A135 WeakPolarHBondContact O-CB 3.41Å; S131-A135 PolarHBondContact O-N 3.43Å
132F98.7Very high98.5Very high43 Ų4330.7 Ų30.719%0.18915%0.15CC..Hα-helixtrans-57.4-46170.4-72.3-72.7000111.6K36 A37 S81 G82 I83 E99 K126 E134 A135 A136K36-F132 HydrophobicContact CB-CB 3.87Å; K36-F132 HydrophobicContact CB-CD1 3.87Å; K36-F132 HydrophobicContact CB-CD2 3.95Å; K36-F132 HydrophobicContact CB-CE1 4.41Å; K36-F132 HydrophobicContact CB-CE2 4.47Å; K36-F132 HydrophobicContact CB-CG 3.62Å; K36-F132 HydrophobicContact CG-CD1 4.37Å; K36-F132 HydrophobicContact CG-CD2 4.24Å; K36-F132 HydrophobicContact CG-CE1 4.42Å; K36-F132 HydrophobicContact CG-CE2 4.29Å; K36-F132 HydrophobicContact CG-CG 4.29Å; K36-F132 HydrophobicContact CG-CZ 4.37Å; A37-F132 HydrophobicContact CB-CB 4.26Å; S81-F132 VanDerWaalsContact OG-C 3.29Å; S81-F132 WeakPolarHBondContact OG-CA 3.49Å; S81-F132 WeakPolarHBondContact OG-CB 3.47Å; S81-F132 PolarHBondContact OG-O 2.84Å; G82-F132 WeakPolarHBondContact O-CE1 3.28Å; I83-F132 HydrophobicContact CD1-CZ 4.36Å; I83-F132 HydrophobicContact CG1-CE1 4.34Å; I83-F132 HydrophobicContact CG1-CZ 3.9Å; E99-F132 HydrophobicContact CB-CE1 4.02Å; E99-F132 HydrophobicContact CB-CZ 4.08Å; E99-F132 HydrophobicContact CG-CE1 4.23Å; E99-F132 HydrophobicContact CG-CZ 3.77Å; E99-F132 WeakPolarHBondContact OE1-CZ 3.31Å; K126-F132 HydrophobicContact CD-CD1 3.88Å; K126-F132 HydrophobicContact CD-CE1 3.95Å; F132-E134 VanDerWaalsContact C-N 3.31Å; F132-E134 PolarHBondContact O-N 2.76Å; F132-A135 PolarHBondContact O-N 2.88Å; F132-A135 VanDerWaalsContact O-N 3.16Å; F132-A136 WeakPolarHBondContact O-CB 3.44Å; F132-A136 PolarHBondContact O-N 3Å
133A98.5Very high98.5Very high7 Ų730.3 Ų30.36%0.05815%0.147CC..Hα-helixtrans-55.8-45178.700000112.3A37 S131 V348 T350A37-A133 HydrophobicContact CB-CB 4.44Å; S131-A133 VanDerWaalsContact C-N 3.33Å; S131-A133 PolarHBondContact O-N 2.95Å; A133-V348 HydrophobicContact CB-CG2 4.13Å; A133-V348 WeakPolarHBondContact O-CG1 3.26Å; A133-T350 HydrophobicContact CB-CG2 3.89Å
134E98.6Very high98.4Very high65 Ų6530.2 Ų30.230%0.30415%0.147SC..Hα-helixtrans-69.1-42.4176.5-73.1166.6131.600112.5V130 S131 F132 A136 S137 P320V130-E134 HydrophobicContact CB-CB 3.85Å; V130-E134 HydrophobicContact CG2-CB 4.22Å; S131-E134 WeakPolarHBondContact CB-OE2 3.33Å; S131-E134 PolarHBondContact N-OE2 2.79Å; S131-E134 PolarHBondContact O-N 2.93Å; S131-E134 WeakPolarHBondContact OG-CB 3.04Å; S131-E134 VanDerWaalsContact OG-CG 3.32Å; S131-E134 WeakPolarHBondContact OG-CG 3.49Å; S131-E134 PolarHBondContact OG-N 2.88Å; S131-E134 PolarHBondContact OG-OE2 2.9Å; F132-E134 VanDerWaalsContact C-N 3.31Å; F132-E134 PolarHBondContact O-N 2.76Å; E134-A136 VanDerWaalsContact C-N 3.31Å; E134-A136 PolarHBondContact O-N 3.24Å; E134-S137 VanDerWaalsContact O-CB 3.3Å; E134-S137 WeakPolarHBondContact O-CB 3.27Å; E134-S137 PolarHBondContact O-N 3.42Å; E134-S137 VanDerWaalsContact O-N 3.09Å; E134-S137 PolarHBondContact O-OG 3.39Å; E134-P320 HydrophobicContact CB-CB 3.75Å; E134-P320 HydrophobicContact CB-CG 3.8Å; E134-P320 HydrophobicContact CG-CB 3.95Å; E134-P320 HydrophobicContact CG-CG 3.74Å
135A98.8Very high98.4Very high0 Ų030.1 Ų30.10%015%0.146CC..Hα-helixtrans-59.5-41.2176.600000111.8F101 K126 V130 S131 F132 S137 F138 P139F101-A135 HydrophobicContact CB-CB 4.43Å; F101-A135 WeakPolarHBondContact CD2-O 3.39Å; K126-A135 HydrophobicContact CB-CB 3.91Å; K126-A135 HydrophobicContact CD-CB 3.86Å; V130-A135 HydrophobicContact CG2-CB 4.11Å; S131-A135 WeakPolarHBondContact O-CB 3.41Å; S131-A135 PolarHBondContact O-N 3.43Å; F132-A135 PolarHBondContact O-N 2.88Å; F132-A135 VanDerWaalsContact O-N 3.16Å; A135-S137 PolarHBondContact O-N 3.47Å; A135-S137 VanDerWaalsContact O-N 3.1Å; A135-F138 PolarHBondContact O-N 3.29Å; A135-P139 WeakPolarHBondContact O-CD 3.44Å
136A98.6Very high98.3Very high0 Ų026.2 Ų26.20%013%0.129CC..THydrogen-bonded Turntrans-63.2-14.3177.400000114A37 S39 D79 F132 E134 F138A37-A136 HydrophobicContact CB-CB 3.88Å; S39-A136 WeakPolarHBondContact CB-O 3.13Å; S39-A136 PolarHBondContact OG-O 3.28Å; D79-A136 WeakPolarHBondContact CB-O 3.09Å; F132-A136 WeakPolarHBondContact O-CB 3.44Å; F132-A136 PolarHBondContact O-N 3Å; E134-A136 VanDerWaalsContact C-N 3.31Å; E134-A136 PolarHBondContact O-N 3.24Å; A136-F138 VanDerWaalsContact C-N 3.27Å; A136-F138 PolarHBondContact O-N 3.11Å
137S98.3Very high98.2Very high2 Ų227.5 Ų27.51%0.01414%0.136CC..THydrogen-bonded Turntrans-76-13.6178.678.10000113.9E134 A135 V141 K346E134-S137 VanDerWaalsContact O-CB 3.3Å; E134-S137 WeakPolarHBondContact O-CB 3.27Å; E134-S137 PolarHBondContact O-N 3.42Å; E134-S137 VanDerWaalsContact O-N 3.09Å; E134-S137 PolarHBondContact O-OG 3.39Å; A135-S137 PolarHBondContact O-N 3.47Å; A135-S137 VanDerWaalsContact O-N 3.1Å; S137-V141 WeakPolarHBondContact O-CG2 3.43Å; S137-K346 WeakPolarHBondContact O-CE 3.46Å
138F98.7Very high98.2Very high5 Ų527.5 Ų27.52%0.02214%0.136CC..SBendtrans-95.5-45.8-171.4-72-72.7000116.9F101 A135 A136 H140 V141 V142 F176 V309 V313 I318 P320F101-F138 HydrophobicContact CD2-CB 4.41Å; F101-F138 HydrophobicContact CE2-CB 4.05Å; A135-F138 PolarHBondContact O-N 3.29Å; A136-F138 VanDerWaalsContact C-N 3.27Å; A136-F138 PolarHBondContact O-N 3.11Å; F138-H140 PolarHBondContact O-N 2.95Å; F138-H140 VanDerWaalsContact O-N 3.16Å; F138-V141 WeakPolarHBondContact O-CG2 3.27Å; F138-V141 PolarHBondContact O-N 3.46Å; F138-V142 HydrophobicContact CB-CG2 4.18Å; F138-V142 VanDerWaalsContact O-CG2 3.29Å; F138-V142 WeakPolarHBondContact O-CG2 3.48Å; F138-V142 PolarHBondContact O-N 2.9Å; F138-F176 HydrophobicContact CD1-CD2 4.26Å; F138-F176 HydrophobicContact CE1-CD2 4.44Å; F138-V309 HydrophobicContact CD1-CG1 4.15Å; F138-V313 HydrophobicContact CE1-CG2 4.16Å; F138-V313 HydrophobicContact CE2-CG2 3.94Å; F138-V313 HydrophobicContact CZ-CG2 3.61Å; F138-I318 HydrophobicContact CE1-CG2 3.67Å; F138-I318 HydrophobicContact CZ-CG2 4.12Å; F138-P320 HydrophobicContact CE2-CB 3.88Å; F138-P320 HydrophobicContact CZ-CB 4.04Å
139P98.7Very high98.2Very high0 Ų016.9 Ų16.90%010%0.096CC..Hα-helixtrans-57.2-45.6-156.1-28.332.5000115.8D79 F101 G102 A135 T143 L306D79-P139 WeakPolarHBondContact OD1-CA 3Å; D79-P139 WeakPolarHBondContact OD1-CB 3.46Å; D79-P139 VanDerWaalsContact OD1-CD 3.25Å; D79-P139 WeakPolarHBondContact OD1-CD 3.46Å; F101-P139 HydrophobicContact CB-CG 4.15Å; F101-P139 HydrophobicContact CD2-CG 3.65Å; F101-P139 HydrophobicContact CE2-CG 4.43Å; F101-P139 HydrophobicContact CG-CG 4.2Å; G102-P139 WeakPolarHBondContact O-CB 3.38Å; G102-P139 WeakPolarHBondContact O-CG 3.37Å; A135-P139 WeakPolarHBondContact O-CD 3.44Å; P139-T143 WeakPolarHBondContact O-CB 3.47Å; P139-T143 WeakPolarHBondContact O-CG2 3.31Å; P139-T143 PolarHBondContact O-N 2.97Å; P139-T143 PolarHBondContact O-OG1 3.36Å; P139-L306 HydrophobicContact CB-CD1 4.32Å; P139-L306 HydrophobicContact CB-CD2 4Å
140H98.1Very high98.1Very high15 Ų1513.4 Ų13.47%0.0697%0.071CC..Hα-helixtrans-71.3-37.1-178.7-168.368.2000111.1N41 I43 R78 D79 F138 T143 S144 A299N41-H140 VanDerWaalsContact CG-CD2 3.49Å; N41-H140 PolarHBondContact OD1-CD2 3.24Å; N41-H140 VanDerWaalsContact OD1-CD2 3.23Å; I43-H140 WeakPolarHBondContact CG2-NE2 3.32Å; R78-H140 HydrophobicContact CB-CB 4.38Å; R78-H140 WeakPolarHBondContact CB-ND1 3.47Å; D79-H140 VanDerWaalsContact CG-CB 3.46Å; D79-H140 WeakPolarHBondContact OD1-CA 3.45Å; D79-H140 WeakPolarHBondContact OD1-CB 3.16Å; D79-H140 PolarHBondContact OD1-N 3.41Å; D79-H140 WeakPolarHBondContact OD2-CB 3.41Å; F138-H140 PolarHBondContact O-N 2.95Å; F138-H140 VanDerWaalsContact O-N 3.16Å; H140-T143 VanDerWaalsContact CA-OG1 3.31Å; H140-T143 WeakPolarHBondContact CA-OG1 3.45Å; H140-T143 PolarHBondContact O-OG1 3.33Å; H140-S144 WeakPolarHBondContact O-CB 3.36Å; H140-S144 PolarHBondContact O-N 3.23Å; H140-S144 PolarHBondContact O-OG 3.29Å; H140-A299 WeakPolarHBondContact CE1-CB 3.45Å
141V98Very high98Very high4 Ų416.4 Ų16.42%0.0249%0.09CC..Hα-helixtrans-71.6-36.5178.7-60.70000112.2S137 F138 S145 G172 V173 F176 K346S137-V141 WeakPolarHBondContact O-CG2 3.43Å; F138-V141 WeakPolarHBondContact O-CG2 3.27Å; F138-V141 PolarHBondContact O-N 3.46Å; V141-S145 PolarHBondContact O-N 3.16Å; V141-S145 PolarHBondContact O-OG 2.91Å; V141-G172 VanDerWaalsContact CG1-C 3.41Å; V141-V173 HydrophobicContact CB-CG2 4.22Å; V141-V173 HydrophobicContact CG1-CG2 3.96Å; V141-F176 HydrophobicContact CB-CB 4.3Å; V141-F176 HydrophobicContact CG2-CB 3.86Å; V141-F176 HydrophobicContact CG2-CG 4.13Å; V141-K346 HydrophobicContact CG1-CD 3.85Å
142V98.5Very high97.9Very high0 Ų016.3 Ų16.30%09%0.085CC..Hα-helixtrans-60.6-58.2171.2174.80000108.9F138 S144 S145 W146 F176 A305 L306 V309F138-V142 HydrophobicContact CB-CG2 4.18Å; F138-V142 VanDerWaalsContact O-CG2 3.29Å; F138-V142 WeakPolarHBondContact O-CG2 3.48Å; F138-V142 PolarHBondContact O-N 2.9Å; V142-S144 PolarHBondContact O-N 2.91Å; V142-S145 PolarHBondContact O-N 2.73Å; V142-S145 VanDerWaalsContact O-N 3.09Å; V142-W146 HydrophobicContact CG1-CE3 4.05Å; V142-W146 VanDerWaalsContact O-CB 3.23Å; V142-W146 WeakPolarHBondContact O-CB 3.3Å; V142-W146 PolarHBondContact O-N 3.21Å; V142-F176 HydrophobicContact CB-CE1 4.37Å; V142-F176 HydrophobicContact CB-CZ 4.24Å; V142-F176 HydrophobicContact CG1-CZ 4.34Å; V142-F176 HydrophobicContact CG2-CD2 4.23Å; V142-F176 HydrophobicContact CG2-CE1 4.13Å; V142-F176 HydrophobicContact CG2-CE2 3.73Å; V142-F176 HydrophobicContact CG2-CZ 3.67Å; V142-A305 HydrophobicContact CG1-CB 4.03Å; V142-L306 HydrophobicContact CB-CD2 3.92Å; V142-L306 HydrophobicContact CG1-CD2 3.97Å; V142-L306 HydrophobicContact CG2-CD2 4.22Å; V142-V309 HydrophobicContact CG1-CG2 3.89Å; V142-V309 HydrophobicContact CG2-CB 4.18Å; V142-V309 HydrophobicContact CG2-CG1 3.91Å; V142-V309 HydrophobicContact CG2-CG2 3.84Å
143T97.5Very high97.9Very high1 Ų114.3 Ų14.31%0.0068%0.076CC..Hα-helixtrans-66.5-23.3-174.354.90000113.6P139 H140 A299 N300P139-T143 WeakPolarHBondContact O-CB 3.47Å; P139-T143 WeakPolarHBondContact O-CG2 3.31Å; P139-T143 PolarHBondContact O-N 2.97Å; P139-T143 PolarHBondContact O-OG1 3.36Å; H140-T143 VanDerWaalsContact CA-OG1 3.31Å; H140-T143 WeakPolarHBondContact CA-OG1 3.45Å; H140-T143 PolarHBondContact O-OG1 3.33Å; T143-A299 WeakPolarHBondContact O-CA 3.3Å; T143-N300 WeakPolarHBondContact CB-O 3.22Å; T143-N300 WeakPolarHBondContact CG2-O 3.4Å; T143-N300 PolarHBondContact O-N 3.33Å; T143-N300 VanDerWaalsContact O-N 3.16Å
144S97.4Very high97.7Very high6 Ų614.6 Ų14.64%0.0428%0.08CC..Hα-helixtrans-75.3-27.2174.6-64.20000114.3H140 V142 S297 A299H140-S144 WeakPolarHBondContact O-CB 3.36Å; H140-S144 PolarHBondContact O-N 3.23Å; H140-S144 PolarHBondContact O-OG 3.29Å; V142-S144 PolarHBondContact O-N 2.91Å; S144-S297 PolarHBondContact O-OG 2.91Å; S144-A299 WeakPolarHBondContact OG-CB 3.42Å
145S97.3Very high97.6Very high0 Ų011.6 Ų11.60%07%0.066CC..Hα-helixtrans-119.1-15.6-172.161.10000114.3V141 V142 I147 S148 L149 F176V141-S145 PolarHBondContact O-N 3.16Å; V141-S145 PolarHBondContact O-OG 2.91Å; V142-S145 PolarHBondContact O-N 2.73Å; V142-S145 VanDerWaalsContact O-N 3.09Å; S145-I147 PolarHBondContact O-N 3.38Å; S145-S148 WeakPolarHBondContact O-CB 3.29Å; S145-S148 PolarHBondContact O-N 2.64Å; S145-L149 PolarHBondContact O-N 2.9Å; S145-F176 WeakPolarHBondContact OG-CD1 3.06Å; S145-F176 WeakPolarHBondContact OG-CE1 3.25Å
146W98.1Very high97.3Very high21 Ų2115.8 Ų15.88%0.089%0.086CC..Hα-helixtrans-60.2-48-174.5-167.2-101.3000113V142 S148 L149 V150 T151 F176 L180 A305 T308 V309V142-W146 HydrophobicContact CG1-CE3 4.05Å; V142-W146 VanDerWaalsContact O-CB 3.23Å; V142-W146 WeakPolarHBondContact O-CB 3.3Å; V142-W146 PolarHBondContact O-N 3.21Å; W146-S148 VanDerWaalsContact C-N 3.3Å; W146-S148 PolarHBondContact O-N 3.09Å; W146-L149 PolarHBondContact O-N 2.8Å; W146-V150 HydrophobicContact CD2-CB 4.15Å; W146-V150 HydrophobicContact CD2-CG2 3.81Å; W146-V150 HydrophobicContact CE3-CG2 3.86Å; W146-V150 HydrophobicContact CG-CB 4.41Å; W146-V150 HydrophobicContact CG-CG2 4.43Å; W146-V150 HydrophobicContact CH2-CG2 4.18Å; W146-V150 HydrophobicContact CZ2-CB 4.4Å; W146-V150 HydrophobicContact CZ2-CG1 4.07Å; W146-V150 HydrophobicContact CZ2-CG2 4.13Å; W146-V150 HydrophobicContact CZ3-CG2 4.05Å; W146-V150 WeakPolarHBondContact O-CA 3.48Å; W146-V150 VanDerWaalsContact O-CB 3.3Å; W146-V150 WeakPolarHBondContact O-CB 3.38Å; W146-V150 PolarHBondContact O-N 2.8Å; W146-T151 PolarHBondContact O-N 3.16Å; W146-F176 HydrophobicContact CE3-CZ 4.41Å; W146-F176 HydrophobicContact CZ3-CZ 4.5Å; W146-L180 HydrophobicContact CE3-CD2 4.15Å; W146-L180 HydrophobicContact CZ3-CD1 4.04Å; W146-L180 HydrophobicContact CZ3-CD2 4.13Å; W146-A305 HydrophobicContact CB-CB 4.36Å; W146-A305 HydrophobicContact CD2-CB 3.59Å; W146-A305 HydrophobicContact CE3-CB 4.23Å; W146-A305 HydrophobicContact CG-CB 3.63Å; W146-A305 HydrophobicContact CZ2-CB 4.18Å; W146-T308 HydrophobicContact CH2-CG2 3.81Å; W146-T308 HydrophobicContact CZ2-CG2 4.33Å; W146-V309 HydrophobicContact CE3-CG2 4.32Å; W146-V309 HydrophobicContact CH2-CG2 4.35Å; W146-V309 HydrophobicContact CZ3-CG2 3.67Å
147I96.8Very high97.1Very high42 Ų4224.5 Ų24.522%0.21512%0.119CC..Iπ-helixtrans-59.3-45.9177.1-68.1175.2000110.1S145 T151 L152 N300S145-I147 PolarHBondContact O-N 3.38Å; I147-T151 WeakPolarHBondContact O-CB 3.49Å; I147-T151 PolarHBondContact O-N 2.65Å; I147-L152 HydrophobicContact CG2-CD1 3.88Å; I147-L152 HydrophobicContact CG2-CG 3.9Å; I147-L152 WeakPolarHBondContact O-CB 3.23Å; I147-L152 PolarHBondContact O-N 3.05Å; I147-N300 HydrophobicContact CD1-CB 3.87Å
148S97.6Very high96.8Very high1 Ų127.9 Ų27.91%0.00713%0.131CC..Iπ-helixtrans-63.3-47.2-177.3-660000112.6S145 W146 G153 A254 S297S145-S148 WeakPolarHBondContact O-CB 3.29Å; S145-S148 PolarHBondContact O-N 2.64Å; W146-S148 VanDerWaalsContact C-N 3.3Å; W146-S148 PolarHBondContact O-N 3.09Å; S148-G153 WeakPolarHBondContact O-CA 3.04Å; S148-G153 PolarHBondContact O-N 3.45Å; S148-A254 WeakPolarHBondContact OG-CB 3.23Å; S148-S297 WeakPolarHBondContact OG-CB 3.02Å; S148-S297 PolarHBondContact OG-OG 2.83Å
149L98.1Very high96.3Very high0 Ų037 Ų370%017%0.174CC..Iπ-helixtrans-84.6-47.2-174.7-64.3176.8000112S145 W146 G153 G154 L155 L164 A177 L180 I228 L230S145-L149 PolarHBondContact O-N 2.9Å; W146-L149 PolarHBondContact O-N 2.8Å; L149-G153 CarbonylContact O-C 3.58Å; L149-G153 VanDerWaalsContact O-C 3.31Å; L149-G153 WeakPolarHBondContact O-CA 3.34Å; L149-G154 PolarHBondContact O-N 3.28Å; L149-L155 HydrophobicContact CB-CD2 4.08Å; L149-L155 WeakPolarHBondContact O-CB 3.35Å; L149-L155 PolarHBondContact O-N 2.72Å; L149-L164 HydrophobicContact CD2-CD1 3.78Å; L149-L164 HydrophobicContact CD2-CD2 4.1Å; L149-A177 HydrophobicContact CD1-CB 3.76Å; L149-L180 HydrophobicContact CB-CD2 4.29Å; L149-L180 HydrophobicContact CD1-CD2 3.96Å; L149-I228 HydrophobicContact CD2-CG2 4.16Å; L149-L230 HydrophobicContact CD1-CD2 4.2Å; L149-L230 HydrophobicContact CD2-CB 4.32Å; L149-L230 HydrophobicContact CD2-CD2 4.18Å; L149-L230 HydrophobicContact CG-CD2 4.3Å
150V97.5Very high96Very high2 Ų245.2 Ų45.21%0.01221%0.209CC..Iπ-helixtrans-95.3-52.4-168.7-176.50000111.8W146 G154 Q156 L180 Y184W146-V150 HydrophobicContact CD2-CB 4.15Å; W146-V150 HydrophobicContact CD2-CG2 3.81Å; W146-V150 HydrophobicContact CE3-CG2 3.86Å; W146-V150 HydrophobicContact CG-CB 4.41Å; W146-V150 HydrophobicContact CG-CG2 4.43Å; W146-V150 HydrophobicContact CH2-CG2 4.18Å; W146-V150 HydrophobicContact CZ2-CB 4.4Å; W146-V150 HydrophobicContact CZ2-CG1 4.07Å; W146-V150 HydrophobicContact CZ2-CG2 4.13Å; W146-V150 HydrophobicContact CZ3-CG2 4.05Å; W146-V150 WeakPolarHBondContact O-CA 3.48Å; W146-V150 VanDerWaalsContact O-CB 3.3Å; W146-V150 WeakPolarHBondContact O-CB 3.38Å; W146-V150 PolarHBondContact O-N 2.8Å; V150-G154 WeakPolarHBondContact O-CA 3.18Å; V150-G154 PolarHBondContact O-N 2.93Å; V150-Q156 HydrophobicContact CG1-CG 4.15Å; V150-L180 HydrophobicContact CG2-CD2 3.87Å; V150-Y184 HydrophobicContact CG2-CE2 4.49Å
151T96.3Very high95.9Very high78 Ų7848 Ų4848%0.47923%0.229SC..Iπ-helixtrans-72.7-51-174.1-53.90000111.9W146 I147W146-T151 PolarHBondContact O-N 3.16Å; I147-T151 WeakPolarHBondContact O-CB 3.49Å; I147-T151 PolarHBondContact O-N 2.65Å
152L96.6Very high95.9Very high51 Ų5148 Ų4827%0.26723%0.229SC..Iπ-helixtrans-90.7-51.8-178.5-60.2-177.6000111.1I147 G154 V252 L293 W295I147-L152 HydrophobicContact CG2-CD1 3.88Å; I147-L152 HydrophobicContact CG2-CG 3.9Å; I147-L152 WeakPolarHBondContact O-CB 3.23Å; I147-L152 PolarHBondContact O-N 3.05Å; L152-G154 PolarHBondContact O-N 3.46Å; L152-G154 VanDerWaalsContact O-N 3.16Å; L152-V252 HydrophobicContact CB-CG1 4.17Å; L152-V252 WeakPolarHBondContact O-CG2 3.35Å; L152-L293 HydrophobicContact CB-CD2 4.02Å; L152-L293 HydrophobicContact CD1-CD2 4.13Å; L152-L293 HydrophobicContact CD2-CD2 3.93Å; L152-L293 HydrophobicContact CG-CD2 4.23Å; L152-W295 HydrophobicContact CD1-CB 3.84Å; L152-W295 HydrophobicContact CD1-CD2 3.62Å; L152-W295 HydrophobicContact CD1-CE3 4.25Å; L152-W295 HydrophobicContact CD1-CG 3.39Å
153G97Very high95.8Very high0 Ų049.3 Ų49.30%023%0.234CC..SBendtrans-64.2-18.9179.700000113.8S148 L149 L155 R158 I228S148-G153 WeakPolarHBondContact O-CA 3.04Å; S148-G153 PolarHBondContact O-N 3.45Å; L149-G153 CarbonylContact O-C 3.58Å; L149-G153 VanDerWaalsContact O-C 3.31Å; L149-G153 WeakPolarHBondContact O-CA 3.34Å; G153-L155 PolarHBondContact O-N 2.64Å; G153-R158 PolarHBondContact O-NE 3.25Å; G153-R158 VanDerWaalsContact O-NE 3.1Å; G153-R158 PolarHBondContact O-NH2 3.31Å; G153-I228 VanDerWaalsContact O-CD1 3.32Å; G153-I228 WeakPolarHBondContact O-CD1 3.26Å
154G95.9Very high95.9Very high14 Ų1449.2 Ų49.214%0.14423%0.234CC..  trans61.823.6177.200000113L149 V150 L152 Q156 R157 R158L149-G154 PolarHBondContact O-N 3.28Å; V150-G154 WeakPolarHBondContact O-CA 3.18Å; V150-G154 PolarHBondContact O-N 2.93Å; L152-G154 PolarHBondContact O-N 3.46Å; L152-G154 VanDerWaalsContact O-N 3.16Å; G154-Q156 PolarHBondContact O-N 2.79Å; G154-Q156 VanDerWaalsContact O-N 3.1Å; G154-R157 WeakPolarHBondContact O-CA 3.41Å; G154-R157 PolarHBondContact O-N 2.87Å; G154-R158 PolarHBondContact O-N 2.8Å
155L95.5Very high96Very high2 Ų249 Ų491%0.0123%0.232CC..G310 helixtrans-49.8-41.8-169.2-179.762.5000112.9L149 G153 R157 P162 L180 Y184 A186 I228L149-L155 HydrophobicContact CB-CD2 4.08Å; L149-L155 WeakPolarHBondContact O-CB 3.35Å; L149-L155 PolarHBondContact O-N 2.72Å; G153-L155 PolarHBondContact O-N 2.64Å; L155-R157 VanDerWaalsContact C-N 3.31Å; L155-R157 PolarHBondContact O-N 3.22Å; L155-P162 HydrophobicContact CD1-CG 3.79Å; L155-L180 HydrophobicContact CD2-CD2 4.46Å; L155-L180 HydrophobicContact CD2-CG 4.24Å; L155-Y184 HydrophobicContact CB-CD2 4.47Å; L155-Y184 HydrophobicContact CD2-CD2 3.78Å; L155-Y184 HydrophobicContact CG-CD2 3.78Å; L155-Y184 HydrophobicContact CG-CG 4.13Å; L155-A186 HydrophobicContact CD1-CB 3.87Å; L155-I228 HydrophobicContact CB-CD1 4.37Å; L155-I228 HydrophobicContact CD1-CD1 4.3Å
156Q93.2Very high96Very high88 Ų8849 Ų4941%0.41123%0.232SC..G310 helixtrans-74-12178.170.9-177-27.400115.4V150 G154 Y184V150-Q156 HydrophobicContact CG1-CG 4.15Å; G154-Q156 PolarHBondContact O-N 2.79Å; G154-Q156 VanDerWaalsContact O-N 3.1Å; Q156-Y184 HydrophobicContact CB-CD1 3.77Å; Q156-Y184 HydrophobicContact CB-CD2 4.41Å; Q156-Y184 HydrophobicContact CB-CE1 3.6Å; Q156-Y184 HydrophobicContact CB-CE2 4.23Å; Q156-Y184 HydrophobicContact CB-CG 4.19Å
157R93.7Very high96Very high183 Ų18348.2 Ų48.269%0.69123%0.229SC*.G310 helixtrans-113.33-172.9-50.9-175.8-167.9152.93.7113.1G154 L155G154-R157 WeakPolarHBondContact O-CA 3.41Å; G154-R157 PolarHBondContact O-N 2.87Å; L155-R157 VanDerWaalsContact C-N 3.31Å; L155-R157 PolarHBondContact O-N 3.22Å
158R92.8Very high96Very high72 Ų7247.2 Ų47.227%0.27223%0.23SC..  trans-71.5131.4-178.8-64.7-70.9-175.41592.9110G153 G154 K160 P162 G250G153-R158 PolarHBondContact O-NE 3.25Å; G153-R158 VanDerWaalsContact O-NE 3.1Å; G153-R158 PolarHBondContact O-NH2 3.31Å; G154-R158 PolarHBondContact O-N 2.8Å; R158-K160 WeakPolarHBondContact CB-O 3.48Å; R158-P162 HydrophobicContact CB-CB 4.47Å; R158-P162 HydrophobicContact CB-CG 4.18Å; R158-P162 HydrophobicContact CG-CB 3.96Å; R158-P162 HydrophobicContact CG-CG 3.87Å; R158-G250 PolarHBondContact NH1-O 2.82Å; R158-G250 PolarHBondContact NH2-O 3.31Å
159Q88.4Confident95.9Very high198 Ų19847.2 Ų47.293%0.92523%0.229SC*.SBendtrans-76.2-26.3179.5-64.71793.500113.2
160K92.4Very high95.8Very high171 Ų17148.1 Ų48.174%0.74324%0.236SC*.SBendtrans-122.7153.8175.2-64.3-178.4-178.3179.20108.7R158 P162R158-K160 WeakPolarHBondContact CB-O 3.48Å; K160-P162 WeakPolarHBondContact O-CD 3.16Å
161P95.3Very high95.8Very high75 Ų7549.2 Ų49.249%0.48725%0.247SC..  trans-48.8111.7173.3-29.637.1000111.5N185P161-N185 VanDerWaalsContact CA-O 3.28Å; P161-N185 WeakPolarHBondContact CA-O 3.47Å; P161-N185 WeakPolarHBondContact CB-O 3.49Å
162P97Very high95.8Very high3 Ų346 Ų462%0.01923%0.23CC..  trans-75.1146.5176.532.3-36.3000110.1L155 R158 K160 A186 D187 D227L155-P162 HydrophobicContact CD1-CG 3.79Å; R158-P162 HydrophobicContact CB-CB 4.47Å; R158-P162 HydrophobicContact CB-CG 4.18Å; R158-P162 HydrophobicContact CG-CB 3.96Å; R158-P162 HydrophobicContact CG-CG 3.87Å; K160-P162 WeakPolarHBondContact O-CD 3.16Å; P162-A186 HydrophobicContact CG-CB 3.92Å; P162-A186 CarbonylContact O-C 3.6Å; P162-A186 VanDerWaalsContact O-CA 3.26Å; P162-A186 WeakPolarHBondContact O-CA 3.11Å; P162-A186 WeakPolarHBondContact O-CB 3.26Å; P162-D187 PolarHBondContact O-N 3.26Å; P162-D227 WeakPolarHBondContact CA-OD2 3.45Å; P162-D227 HydrophobicContact CB-CB 4.09Å
163R98.2Very high95.8Very high27 Ų2744.8 Ų44.810%0.10223%0.225CC..EExtended strand (participates in β ladder)trans-83.2118.9168.9-66.9-17570.372.98.1109.1D187 E224 K225 F226 D227 I228R163-D187 HydrophobicContact CG-CB 4.41Å; R163-D187 IonicContact CZ-OD2 2.83Å; R163-D187 IonicContact NH1-OD2 3.71Å; R163-D187 PolarHBondContact NH1-OD2 3.4Å; R163-E224 PolarHBondContact NE-O 3.44Å; R163-E224 IonicContact NH1-OE2 2.74Å; R163-K225 WeakPolarHBondContact CD-O 3.45Å; R163-F226 HydrophobicContact CB-CD1 3.93Å; R163-D227 PolarHBondContact N-OD2 2.76Å; R163-D227 PolarHBondContact O-N 3.39Å; R163-I228 PolarHBondContact O-N 3.17Å; R163-I228 VanDerWaalsContact O-N 3.14Å
164L98.7Very high95.9Very high0 Ų044.9 Ų44.90%023%0.225CC..EExtended strand (participates in β ladder)trans-114.5120.4-178.6169.460.1000109.8L149 I166 A186 D187 V188 T189 I228L149-L164 HydrophobicContact CD2-CD1 3.78Å; L149-L164 HydrophobicContact CD2-CD2 4.1Å; L164-I166 HydrophobicContact CD1-CG1 4.18Å; L164-I166 HydrophobicContact CD2-CD1 4.06Å; L164-I166 HydrophobicContact CD2-CG1 4.22Å; L164-I166 HydrophobicContact CG-CD1 4.3Å; L164-I166 HydrophobicContact CG-CG1 3.98Å; L164-A186 HydrophobicContact CB-CB 4.13Å; L164-D187 PolarHBondContact N-O 2.85Å; L164-V188 HydrophobicContact CD2-CG2 4.38Å; L164-V188 WeakPolarHBondContact O-CA 3.35Å; L164-T189 PolarHBondContact O-N 3.48Å; L164-I228 CarbonylContact C-O 3.49Å; L164-I228 WeakPolarHBondContact CA-O 3.49Å; L164-I228 HydrophobicContact CD1-CB 3.79Å; L164-I228 HydrophobicContact CD1-CG2 3.66Å
165F98.8Very high96Very high1 Ų144.4 Ų44.40%0.00422%0.22CC..EExtended strand (participates in β ladder)trans-100.1128168.6177.1-130.3000111.1N167 T189 L220 F226 I228 V229 L230F165-N167 HydrophobicContact CE1-CB 3.83Å; F165-N167 HydrophobicContact CZ-CB 3.82Å; F165-T189 CarbonylContact C-O 3.57Å; F165-T189 WeakPolarHBondContact CA-O 3.31Å; F165-T189 HydrophobicContact CD2-CG2 3.97Å; F165-T189 WeakPolarHBondContact CD2-O 3.35Å; F165-T189 HydrophobicContact CE2-CG2 4.45Å; F165-L220 HydrophobicContact CD1-CD2 4.33Å; F165-L220 HydrophobicContact CD2-CD1 4.06Å; F165-L220 HydrophobicContact CE1-CD1 4.47Å; F165-L220 HydrophobicContact CE1-CD2 3.63Å; F165-L220 HydrophobicContact CE2-CD1 3.92Å; F165-L220 HydrophobicContact CE2-CD2 4.2Å; F165-L220 HydrophobicContact CG-CD1 4.43Å; F165-L220 HydrophobicContact CZ-CD1 4.14Å; F165-L220 HydrophobicContact CZ-CD2 3.57Å; F165-F226 HydrophobicContact CB-CB 4.33Å; F165-F226 HydrophobicContact CB-CD1 3.64Å; F165-F226 HydrophobicContact CB-CD2 3.63Å; F165-F226 HydrophobicContact CB-CE1 3.8Å; F165-F226 HydrophobicContact CB-CE2 3.78Å; F165-F226 HydrophobicContact CB-CG 3.57Å; F165-F226 HydrophobicContact CB-CZ 3.87Å; F165-F226 HydrophobicContact CD2-CZ 4.44Å; F165-F226 HydrophobicContact CG-CD2 4.3Å; F165-F226 HydrophobicContact CG-CE2 4.08Å; F165-F226 HydrophobicContact CG-CZ 4.25Å; F165-I228 PolarHBondContact N-O 3.44Å; F165-V229 HydrophobicContact CB-CG2 4.27Å; F165-V229 HydrophobicContact CD1-CG1 3.92Å; F165-V229 HydrophobicContact CD1-CG2 4.47Å; F165-V229 WeakPolarHBondContact O-CA 3.25Å; F165-L230 PolarHBondContact O-N 2.98Å
166I98.8Very high96.1Very high0 Ų044.5 Ų44.50%022%0.22CC..EExtended strand (participates in β ladder)trans-115107174.6-58166.9000108.5L164 G168 A177 I178 V188 T189 V190 S191 L230 L232L164-I166 HydrophobicContact CD1-CG1 4.18Å; L164-I166 HydrophobicContact CD2-CD1 4.06Å; L164-I166 HydrophobicContact CD2-CG1 4.22Å; L164-I166 HydrophobicContact CG-CD1 4.3Å; L164-I166 HydrophobicContact CG-CG1 3.98Å; I166-G168 PolarHBondContact O-N 3.48Å; I166-A177 HydrophobicContact CD1-CB 3.7Å; I166-A177 HydrophobicContact CG1-CB 4.42Å; I166-I178 HydrophobicContact CD1-CB 4.45Å; I166-I178 HydrophobicContact CD1-CG1 3.72Å; I166-V188 HydrophobicContact CD1-CG1 3.79Å; I166-T189 PolarHBondContact N-O 2.83Å; I166-V190 HydrophobicContact CB-CG2 4.48Å; I166-V190 WeakPolarHBondContact O-CA 3.37Å; I166-S191 PolarHBondContact O-N 2.82Å; I166-L230 WeakPolarHBondContact CA-O 3.49Å; I166-L230 HydrophobicContact CG1-CB 4.48Å; I166-L232 HydrophobicContact CG2-CD1 3.76Å; I166-L232 HydrophobicContact CG2-CG 4.49Å
167N98.4Very high96.4Very high4 Ų440.3 Ų40.32%0.02120%0.201CC..EExtended strand (participates in β ladder)trans-82.7102.3174.8-17533.7000109.8F165 S191 L230 N231 L232 A233 L237 A238F165-N167 HydrophobicContact CE1-CB 3.83Å; F165-N167 HydrophobicContact CZ-CB 3.82Å; N167-S191 VanDerWaalsContact CA-OG 3.26Å; N167-S191 WeakPolarHBondContact CA-OG 3.46Å; N167-S191 PolarHBondContact OD1-OG 3.13Å; N167-L230 PolarHBondContact N-O 3.41Å; N167-N231 WeakPolarHBondContact CB-OD1 3.31Å; N167-N231 PolarHBondContact ND2-OD1 2.85Å; N167-L232 WeakPolarHBondContact O-CA 3.14Å; N167-L232 WeakPolarHBondContact O-CB 3.19Å; N167-L232 PolarHBondContact O-N 3.09Å; N167-A233 PolarHBondContact ND2-O 2.9Å; N167-A233 PolarHBondContact O-N 3.39Å; N167-L237 WeakPolarHBondContact OD1-CB 3.35Å; N167-A238 PolarHBondContact ND2-N 3.2Å
168G96.7Very high96.6Very high22 Ų2231.6 Ų31.623%0.22717%0.168CC..THydrogen-bonded Turntrans101.554.7-176.100000114.5I166 S191 L232I166-G168 PolarHBondContact O-N 3.48Å; G168-S191 CarbonylContact C-O 3.55Å; G168-S191 VanDerWaalsContact CA-O 3.28Å; G168-S191 WeakPolarHBondContact CA-O 3.38Å; G168-S191 PolarHBondContact N-O 3.14Å; G168-S191 VanDerWaalsContact N-O 3.1Å; G168-S191 PolarHBondContact N-OG 2.89Å; G168-L232 WeakPolarHBondContact O-CD1 3.43Å
169G94.8Very high96.9Very high0 Ų028.7 Ų28.70%016%0.157CC..THydrogen-bonded Turntrans-82.8-13.7-169.500000117.6G174 T175 I178 V190 S191G169-G174 CarbonylContact O-C 3.59Å; G169-G174 WeakPolarHBondContact O-CA 3.44Å; G169-T175 PolarHBondContact O-N 2.8Å; G169-T175 VanDerWaalsContact O-N 3.08Å; G169-I178 WeakPolarHBondContact O-CD1 3.05Å; G169-V190 VanDerWaalsContact CA-CG1 3.48Å; G169-S191 PolarHBondContact N-O 3.29Å
170S96.3Very high97.4Very high19 Ų1919.3 Ų19.313%0.13311%0.113CC..THydrogen-bonded Turntrans-84.8-9.8-176.758.10000114.6L344 G345S170-L344 CarbonylContact O-C 3.58Å; S170-L344 WeakPolarHBondContact O-CA 3.43Å; S170-G345 PolarHBondContact O-N 3.01Å
171G96.2Very high97.7Very high25 Ų2511.1 Ų11.126%0.2588%0.078SC..BIsolated β-bridgetrans-85.1176.2174.900000112.8V173 G174 T175G171-V173 PolarHBondContact O-N 3.16Å; G171-G174 PolarHBondContact O-N 3.23Å; G171-G174 VanDerWaalsContact O-N 3.1Å; G171-T175 WeakPolarHBondContact O-CG2 3.43Å; G171-T175 PolarHBondContact O-N 2.63Å; G171-T175 PolarHBondContact O-OG1 3.4Å
172G96.6Very high97.8Very high12 Ų1212.8 Ų12.812%0.1248%0.078CC..Hα-helixtrans-53.1-46.9-175.200000116.2V141 T175 F176 G345V141-G172 VanDerWaalsContact CG1-C 3.41Å; G172-T175 PolarHBondContact O-OG1 2.62Å; G172-F176 PolarHBondContact O-N 3.22Å; G172-G345 PolarHBondContact N-O 3.07Å
173V97.7Very high97.8Very high25 Ų2514.8 Ų14.815%0.1529%0.09CC..Hα-helixtrans-67.4-41.7177.9-176.80000110.9V141 G171 F176 A177 L232 L256V141-V173 HydrophobicContact CB-CG2 4.22Å; V141-V173 HydrophobicContact CG1-CG2 3.96Å; G171-V173 PolarHBondContact O-N 3.16Å; V173-F176 PolarHBondContact O-N 3.37Å; V173-A177 VanDerWaalsContact O-CB 3.25Å; V173-A177 WeakPolarHBondContact O-CB 3.31Å; V173-A177 PolarHBondContact O-N 2.88Å; V173-L232 HydrophobicContact CB-CD1 3.96Å; V173-L232 HydrophobicContact CB-CD2 4.04Å; V173-L232 HydrophobicContact CG1-CD1 3.96Å; V173-L232 HydrophobicContact CG1-CD2 3.56Å; V173-L232 HydrophobicContact CG1-CG 4.44Å; V173-L256 HydrophobicContact CG1-CD2 4.07Å; V173-L256 HydrophobicContact CG2-CD2 4.2Å
174G98.1Very high97.8Very high1 Ų116 Ų161%0.019%0.094CC..Hα-helixtrans-62.7-47.3-179.500000113G169 G171 F176 A177 I178G169-G174 CarbonylContact O-C 3.59Å; G169-G174 WeakPolarHBondContact O-CA 3.44Å; G171-G174 PolarHBondContact O-N 3.23Å; G171-G174 VanDerWaalsContact O-N 3.1Å; G174-F176 VanDerWaalsContact C-N 3.29Å; G174-F176 PolarHBondContact O-N 3.07Å; G174-A177 PolarHBondContact O-N 3.49Å; G174-A177 VanDerWaalsContact O-N 3.15Å; G174-I178 WeakPolarHBondContact O-CD1 3.32Å; G174-I178 VanDerWaalsContact O-CG1 3.23Å; G174-I178 WeakPolarHBondContact O-CG1 3.33Å; G174-I178 PolarHBondContact O-N 2.83Å
175T98.4Very high97.7Very high5 Ų520.8 Ų20.83%0.03112%0.12CC..Hα-helixtrans-65.6-33.1-178.957.20000112.2G169 G171 G172 Q179 L199 L203 V321G169-T175 PolarHBondContact O-N 2.8Å; G169-T175 VanDerWaalsContact O-N 3.08Å; G171-T175 WeakPolarHBondContact O-CG2 3.43Å; G171-T175 PolarHBondContact O-N 2.63Å; G171-T175 PolarHBondContact O-OG1 3.4Å; G172-T175 PolarHBondContact O-OG1 2.62Å; T175-Q179 WeakPolarHBondContact O-CG 3.28Å; T175-Q179 PolarHBondContact O-NE2 3.37Å; T175-L199 HydrophobicContact CG2-CD2 3.98Å; T175-L203 HydrophobicContact CG2-CD1 3.69Å; T175-V321 HydrophobicContact CG2-CG1 4.14Å
176F98.6Very high97.6Very high3 Ų321 Ų211%0.01312%0.122CC..Hα-helixtrans-69.7-48.2169.7170-104.6000111.8F138 V141 V142 S145 W146 G172 V173 G174 I178 Q179 L180 V309 I318F138-F176 HydrophobicContact CD1-CD2 4.26Å; F138-F176 HydrophobicContact CE1-CD2 4.44Å; V141-F176 HydrophobicContact CB-CB 4.3Å; V141-F176 HydrophobicContact CG2-CB 3.86Å; V141-F176 HydrophobicContact CG2-CG 4.13Å; V142-F176 HydrophobicContact CB-CE1 4.37Å; V142-F176 HydrophobicContact CB-CZ 4.24Å; V142-F176 HydrophobicContact CG1-CZ 4.34Å; V142-F176 HydrophobicContact CG2-CD2 4.23Å; V142-F176 HydrophobicContact CG2-CE1 4.13Å; V142-F176 HydrophobicContact CG2-CE2 3.73Å; V142-F176 HydrophobicContact CG2-CZ 3.67Å; S145-F176 WeakPolarHBondContact OG-CD1 3.06Å; S145-F176 WeakPolarHBondContact OG-CE1 3.25Å; W146-F176 HydrophobicContact CE3-CZ 4.41Å; W146-F176 HydrophobicContact CZ3-CZ 4.5Å; G172-F176 PolarHBondContact O-N 3.22Å; V173-F176 PolarHBondContact O-N 3.37Å; G174-F176 VanDerWaalsContact C-N 3.29Å; G174-F176 PolarHBondContact O-N 3.07Å; F176-I178 VanDerWaalsContact C-N 3.33Å; F176-I178 PolarHBondContact O-N 2.9Å; F176-Q179 PolarHBondContact O-N 3.47Å; F176-L180 HydrophobicContact CE1-CD2 3.98Å; F176-L180 HydrophobicContact CZ-CB 4.37Å; F176-L180 HydrophobicContact CZ-CD1 4.25Å; F176-L180 HydrophobicContact CZ-CD2 3.94Å; F176-L180 HydrophobicContact CZ-CG 4.43Å; F176-L180 PolarHBondContact O-N 2.59Å; F176-V309 HydrophobicContact CE2-CG1 4.01Å; F176-V309 HydrophobicContact CE2-CG2 3.87Å; F176-V309 HydrophobicContact CZ-CG2 3.84Å; F176-I318 HydrophobicContact CD2-CG2 4.44Å; F176-I318 HydrophobicContact CE2-CD1 3.99Å
177A98.7Very high97.6Very high0 Ų023 Ų230%013%0.132CC..Hα-helixtrans-60.9-37.7-177.400000113.2L149 I166 V173 G174 L180 G181 L230L149-A177 HydrophobicContact CD1-CB 3.76Å; I166-A177 HydrophobicContact CD1-CB 3.7Å; I166-A177 HydrophobicContact CG1-CB 4.42Å; V173-A177 VanDerWaalsContact O-CB 3.25Å; V173-A177 WeakPolarHBondContact O-CB 3.31Å; V173-A177 PolarHBondContact O-N 2.88Å; G174-A177 PolarHBondContact O-N 3.49Å; G174-A177 VanDerWaalsContact O-N 3.15Å; A177-L180 PolarHBondContact O-N 3.4Å; A177-G181 PolarHBondContact O-N 3.28Å; A177-L230 HydrophobicContact CB-CD2 3.72Å
178I98.8Very high97.6Very high0 Ų022.8 Ų22.80%013%0.131CC..Hα-helixtrans-59.5-49.9175.2-66.9160.7000110.4I166 G169 G174 F176 L180 G181 K182 V188 V190 V200 L203 A205I166-I178 HydrophobicContact CD1-CB 4.45Å; I166-I178 HydrophobicContact CD1-CG1 3.72Å; G169-I178 WeakPolarHBondContact O-CD1 3.05Å; G174-I178 WeakPolarHBondContact O-CD1 3.32Å; G174-I178 VanDerWaalsContact O-CG1 3.23Å; G174-I178 WeakPolarHBondContact O-CG1 3.33Å; G174-I178 PolarHBondContact O-N 2.83Å; F176-I178 VanDerWaalsContact C-N 3.33Å; F176-I178 PolarHBondContact O-N 2.9Å; I178-L180 PolarHBondContact O-N 2.83Å; I178-G181 PolarHBondContact O-N 3.1Å; I178-K182 PolarHBondContact O-N 3.32Å; I178-V188 HydrophobicContact CG1-CG1 4.22Å; I178-V188 HydrophobicContact CG2-CG1 4.39Å; I178-V190 HydrophobicContact CD1-CG1 4.32Å; I178-V190 HydrophobicContact CD1-CG2 3.73Å; I178-V190 HydrophobicContact CG1-CG2 3.64Å; I178-V200 HydrophobicContact CD1-CB 3.78Å; I178-V200 HydrophobicContact CD1-CG1 3.71Å; I178-L203 HydrophobicContact CB-CB 4.38Å; I178-L203 HydrophobicContact CG2-CB 3.79Å; I178-A205 HydrophobicContact CG2-CB 4.3Å
179Q98.8Very high97.7Very high12 Ų1221.7 Ų21.76%0.05612%0.121CC..Hα-helixtrans-65.1-42.3-178.6-64.7179.18500111.1T175 F176 G181 K182 V183 L203 I318 K319T175-Q179 WeakPolarHBondContact O-CG 3.28Å; T175-Q179 PolarHBondContact O-NE2 3.37Å; F176-Q179 PolarHBondContact O-N 3.47Å; Q179-G181 VanDerWaalsContact C-N 3.32Å; Q179-G181 PolarHBondContact O-N 3.33Å; Q179-K182 WeakPolarHBondContact O-CB 3.16Å; Q179-K182 PolarHBondContact O-N 3.14Å; Q179-K182 VanDerWaalsContact O-N 3.14Å; Q179-V183 WeakPolarHBondContact O-CG2 3.36Å; Q179-V183 PolarHBondContact O-N 2.72Å; Q179-L203 HydrophobicContact CG-CB 4.06Å; Q179-L203 HydrophobicContact CG-CD2 3.75Å; Q179-L203 HydrophobicContact CG-CG 4.41Å; Q179-I318 HydrophobicContact CB-CG1 4.17Å; Q179-I318 HydrophobicContact CB-CG2 4.39Å; Q179-K319 PolarHBondContact NE2-O 2.97Å; Q179-K319 VanDerWaalsContact NE2-O 3.17Å; Q179-K319 PolarHBondContact OE1-O 3.16Å
180L98.5Very high97.9Very high0 Ų021.7 Ų21.70%012%0.121CC..Hα-helixtrans-62-41.9175.8-165.768.9000111.6W146 L149 V150 L155 F176 A177 I178 K182 V183 Y184 L312 I318W146-L180 HydrophobicContact CE3-CD2 4.15Å; W146-L180 HydrophobicContact CZ3-CD1 4.04Å; W146-L180 HydrophobicContact CZ3-CD2 4.13Å; L149-L180 HydrophobicContact CB-CD2 4.29Å; L149-L180 HydrophobicContact CD1-CD2 3.96Å; V150-L180 HydrophobicContact CG2-CD2 3.87Å; L155-L180 HydrophobicContact CD2-CD2 4.46Å; L155-L180 HydrophobicContact CD2-CG 4.24Å; F176-L180 HydrophobicContact CE1-CD2 3.98Å; F176-L180 HydrophobicContact CZ-CB 4.37Å; F176-L180 HydrophobicContact CZ-CD1 4.25Å; F176-L180 HydrophobicContact CZ-CD2 3.94Å; F176-L180 HydrophobicContact CZ-CG 4.43Å; F176-L180 PolarHBondContact O-N 2.59Å; A177-L180 PolarHBondContact O-N 3.4Å; I178-L180 PolarHBondContact O-N 2.83Å; L180-K182 VanDerWaalsContact C-N 3.33Å; L180-K182 PolarHBondContact O-N 2.92Å; L180-V183 PolarHBondContact O-N 3.26Å; L180-Y184 HydrophobicContact CD1-CD2 4.1Å; L180-Y184 HydrophobicContact CD1-CE2 3.5Å; L180-Y184 HydrophobicContact CG-CD2 4.01Å; L180-Y184 HydrophobicContact CG-CE2 3.84Å; L180-Y184 VanDerWaalsContact O-CD2 3.28Å; L180-Y184 WeakPolarHBondContact O-CD2 3.33Å; L180-Y184 PolarHBondContact O-N 3.29Å; L180-L312 HydrophobicContact CD1-CD1 4.25Å; L180-I318 HydrophobicContact CD1-CD1 4.09Å
181G98.4Very high98Very high0 Ų020.9 Ų20.90%012%0.115CC..Hα-helixtrans-53.9-49.3170.600000111.7A177 I178 Q179 V183 Y184 N185 A186A177-G181 PolarHBondContact O-N 3.28Å; I178-G181 PolarHBondContact O-N 3.1Å; Q179-G181 VanDerWaalsContact C-N 3.32Å; Q179-G181 PolarHBondContact O-N 3.33Å; G181-V183 PolarHBondContact O-N 2.65Å; G181-Y184 CarbonylContact O-C 3.57Å; G181-Y184 PolarHBondContact O-N 3.21Å; G181-N185 PolarHBondContact O-N 3.38Å; G181-N185 VanDerWaalsContact O-N 3.13Å; G181-A186 WeakPolarHBondContact O-CB 3.43Å; G181-A186 PolarHBondContact O-N 3.05Å
182K97.8Very high98Very high110 Ų11019.7 Ų19.748%0.47810%0.103SC..Hα-helixtrans-63.5-42179.6-172.659.7174.6-177.80113I178 Q179 L180 Y184 N185I178-K182 PolarHBondContact O-N 3.32Å; Q179-K182 WeakPolarHBondContact O-CB 3.16Å; Q179-K182 PolarHBondContact O-N 3.14Å; Q179-K182 VanDerWaalsContact O-N 3.14Å; L180-K182 VanDerWaalsContact C-N 3.33Å; L180-K182 PolarHBondContact O-N 2.92Å; K182-Y184 PolarHBondContact O-N 2.65Å; K182-N185 PolarHBondContact O-N 3.17Å; K182-N185 VanDerWaalsContact O-N 3.09Å
183V97.6Very high97.9Very high45 Ų4519.8 Ų19.827%0.27310%0.101SC..Hα-helixtrans-56.6-39.6176.6166.90000111.4Q179 L180 G181 N185 L312 K317 I318Q179-V183 WeakPolarHBondContact O-CG2 3.36Å; Q179-V183 PolarHBondContact O-N 2.72Å; L180-V183 PolarHBondContact O-N 3.26Å; G181-V183 PolarHBondContact O-N 2.65Å; V183-N185 VanDerWaalsContact C-N 3.35Å; V183-L312 HydrophobicContact CG1-CD1 4.23Å; V183-L312 HydrophobicContact CG1-CD2 3.87Å; V183-K317 HydrophobicContact CG2-CB 3.89Å; V183-I318 HydrophobicContact CG2-CD1 4.5Å; V183-I318 HydrophobicContact CG2-CG1 4.04Å
184Y96.9Very high97.8Very high51 Ų5121.4 Ų21.420%0.212%0.117CC..THydrogen-bonded Turntrans-98.823.6179.6-61.7-54.1000113.4V150 L155 Q156 L180 G181 K182 A186V150-Y184 HydrophobicContact CG2-CE2 4.49Å; L155-Y184 HydrophobicContact CB-CD2 4.47Å; L155-Y184 HydrophobicContact CD2-CD2 3.78Å; L155-Y184 HydrophobicContact CG-CD2 3.78Å; L155-Y184 HydrophobicContact CG-CG 4.13Å; Q156-Y184 HydrophobicContact CB-CD1 3.77Å; Q156-Y184 HydrophobicContact CB-CD2 4.41Å; Q156-Y184 HydrophobicContact CB-CE1 3.6Å; Q156-Y184 HydrophobicContact CB-CE2 4.23Å; Q156-Y184 HydrophobicContact CB-CG 4.19Å; L180-Y184 HydrophobicContact CD1-CD2 4.1Å; L180-Y184 HydrophobicContact CD1-CE2 3.5Å; L180-Y184 HydrophobicContact CG-CD2 4.01Å; L180-Y184 HydrophobicContact CG-CE2 3.84Å; L180-Y184 VanDerWaalsContact O-CD2 3.28Å; L180-Y184 WeakPolarHBondContact O-CD2 3.33Å; L180-Y184 PolarHBondContact O-N 3.29Å; G181-Y184 CarbonylContact O-C 3.57Å; G181-Y184 PolarHBondContact O-N 3.21Å; K182-Y184 PolarHBondContact O-N 2.65Å; Y184-A186 VanDerWaalsContact C-N 3.3Å; Y184-A186 PolarHBondContact O-N 3.06Å
185N96.1Very high97.6Very high102 Ų10225.7 Ų25.755%0.54514%0.14SC..THydrogen-bonded Turntrans57.535.8171.8-161.333.6000114.7P161 G181 K182 V183P161-N185 VanDerWaalsContact CA-O 3.28Å; P161-N185 WeakPolarHBondContact CA-O 3.47Å; P161-N185 WeakPolarHBondContact CB-O 3.49Å; G181-N185 PolarHBondContact O-N 3.38Å; G181-N185 VanDerWaalsContact O-N 3.13Å; K182-N185 PolarHBondContact O-N 3.17Å; K182-N185 VanDerWaalsContact O-N 3.09Å; V183-N185 VanDerWaalsContact C-N 3.35Å
186A98.3Very high97.5Very high5 Ų525.5 Ų25.54%0.04114%0.139CC..  trans-76149169.200000111.9L155 P162 L164 G181 Y184 V188L155-A186 HydrophobicContact CD1-CB 3.87Å; P162-A186 HydrophobicContact CG-CB 3.92Å; P162-A186 CarbonylContact O-C 3.6Å; P162-A186 VanDerWaalsContact O-CA 3.26Å; P162-A186 WeakPolarHBondContact O-CA 3.11Å; P162-A186 WeakPolarHBondContact O-CB 3.26Å; L164-A186 HydrophobicContact CB-CB 4.13Å; G181-A186 WeakPolarHBondContact O-CB 3.43Å; G181-A186 PolarHBondContact O-N 3.05Å; Y184-A186 VanDerWaalsContact C-N 3.3Å; Y184-A186 PolarHBondContact O-N 3.06Å; A186-V188 HydrophobicContact CB-CG2 3.99Å
187D98.2Very high97.4Very high41 Ų4128 Ų2822%0.21915%0.15CC..EExtended strand (participates in β ladder)trans-84.1105.8161.8-178.20.2000108.1P162 R163 L164 N206P162-D187 PolarHBondContact O-N 3.26Å; R163-D187 HydrophobicContact CG-CB 4.41Å; R163-D187 IonicContact CZ-OD2 2.83Å; R163-D187 IonicContact NH1-OD2 3.71Å; R163-D187 PolarHBondContact NH1-OD2 3.4Å; L164-D187 PolarHBondContact N-O 2.85Å; D187-N206 WeakPolarHBondContact OD1-CB 3.22Å; D187-N206 PolarHBondContact OD1-OD1 3.47Å
188V98.7Very high97.4Very high0 Ų035.4 Ų35.40%018%0.182CC..EExtended strand (participates in β ladder)trans-99.8112.3-167.9-173.90000110.3L164 I166 I178 A186 V190 N206 E207L164-V188 HydrophobicContact CD2-CG2 4.38Å; L164-V188 WeakPolarHBondContact O-CA 3.35Å; I166-V188 HydrophobicContact CD1-CG1 3.79Å; I178-V188 HydrophobicContact CG1-CG1 4.22Å; I178-V188 HydrophobicContact CG2-CG1 4.39Å; A186-V188 HydrophobicContact CB-CG2 3.99Å; V188-V190 HydrophobicContact CG1-CG2 3.84Å; V188-N206 PolarHBondContact N-OD1 2.96Å; V188-N206 PolarHBondContact O-N 2.94Å; V188-E207 PolarHBondContact O-N 3.41Å
189T98.7Very high97.3Very high0 Ų036.8 Ų36.80%019%0.189CC..EExtended strand (participates in β ladder)trans-97.5135.2166.9-58.40000109.9L164 F165 I166 E207 V209 L220 L223 F226L164-T189 PolarHBondContact O-N 3.48Å; F165-T189 CarbonylContact C-O 3.57Å; F165-T189 WeakPolarHBondContact CA-O 3.31Å; F165-T189 HydrophobicContact CD2-CG2 3.97Å; F165-T189 WeakPolarHBondContact CD2-O 3.35Å; F165-T189 HydrophobicContact CE2-CG2 4.45Å; I166-T189 PolarHBondContact N-O 2.83Å; T189-E207 CarbonylContact C-O 3.59Å; T189-E207 WeakPolarHBondContact CA-O 3.45Å; T189-E207 HydrophobicContact CG2-CB 4.02Å; T189-V209 HydrophobicContact CG2-CG2 4.38Å; T189-L220 HydrophobicContact CG2-CD1 4.39Å; T189-L223 HydrophobicContact CG2-CD1 3.74Å; T189-F226 HydrophobicContact CG2-CE1 4.26Å; T189-F226 HydrophobicContact CG2-CZ 4.09Å; T189-F226 WeakPolarHBondContact OG1-CE1 3.4Å
190V98.5Very high97.3Very high0 Ų036.2 Ų36.20%019%0.187CC..EExtended strand (participates in β ladder)trans-127.5139.4-175.4176.20000111I166 G169 I178 V188 C192 V200 A205 E207 V208 V209I166-V190 HydrophobicContact CB-CG2 4.48Å; I166-V190 WeakPolarHBondContact O-CA 3.37Å; G169-V190 VanDerWaalsContact CA-CG1 3.48Å; I178-V190 HydrophobicContact CD1-CG1 4.32Å; I178-V190 HydrophobicContact CD1-CG2 3.73Å; I178-V190 HydrophobicContact CG1-CG2 3.64Å; V188-V190 HydrophobicContact CG1-CG2 3.84Å; V190-C192 HydrophobicContact CG1-CB 4.49Å; V190-V200 HydrophobicContact CG1-CB 4.38Å; V190-V200 HydrophobicContact CG1-CG1 4.19Å; V190-A205 HydrophobicContact CB-CB 4.3Å; V190-A205 HydrophobicContact CG2-CB 3.64Å; V190-E207 PolarHBondContact N-O 3.5Å; V190-V208 CarbonylContact O-C 3.53Å; V190-V208 VanDerWaalsContact O-CA 3.3Å; V190-V208 WeakPolarHBondContact O-CA 3.34Å; V190-V209 PolarHBondContact O-N 3.45Å
191S98.1Very high97.3Very high1 Ų142.2 Ų42.21%0.00721%0.212CC..EExtended strand (participates in β ladder)trans-98.9132.9159.579.70000111.4I166 N167 G168 G169 V209I166-S191 PolarHBondContact O-N 2.82Å; N167-S191 VanDerWaalsContact CA-OG 3.26Å; N167-S191 WeakPolarHBondContact CA-OG 3.46Å; N167-S191 PolarHBondContact OD1-OG 3.13Å; G168-S191 CarbonylContact C-O 3.55Å; G168-S191 VanDerWaalsContact CA-O 3.28Å; G168-S191 WeakPolarHBondContact CA-O 3.38Å; G168-S191 PolarHBondContact N-O 3.14Å; G168-S191 VanDerWaalsContact N-O 3.1Å; G168-S191 PolarHBondContact N-OG 2.89Å; G169-S191 PolarHBondContact N-O 3.29Å; S191-V209 VanDerWaalsContact CA-O 3.26Å; S191-V209 WeakPolarHBondContact CA-O 3.48Å
192C96.3Very high97.3Very high1 Ų147.5 Ų47.51%0.00724%0.237CC..EExtended strand (participates in β ladder)trans-161.5171.7169.767.30000110V190 V209 D210 Y211V190-C192 HydrophobicContact CG1-CB 4.49Å; C192-V209 PolarHBondContact N-O 3.14Å; C192-D210 WeakPolarHBondContact O-CA 3.42Å; C192-Y211 VanDerWaalsContact C-CD1 3.45Å
193S94.4Very high97.3Very high13 Ų1342.7 Ų42.79%0.09122%0.217CC..  trans-75.6159.2172.243.40000111.1D195 G196 F197 Y211S193-D195 WeakPolarHBondContact CB-OD1 3.43Å; S193-D195 PolarHBondContact O-N 3.45Å; S193-D195 VanDerWaalsContact O-N 3.12Å; S193-D195 PolarHBondContact OG-OD1 3.5Å; S193-G196 PolarHBondContact O-N 2.9Å; S193-F197 WeakPolarHBondContact O-CD1 3.36Å; S193-Y211 VanDerWaalsContact N-CE1 3.34Å
194A95.1Very high97.4Very high59 Ų5941.4 Ų41.449%0.48821%0.212SC..G310 helixtrans-52.9-33-17600000114.8G196 F197A194-G196 PolarHBondContact O-N 3.32Å; A194-F197 WeakPolarHBondContact O-CB 3.13Å; A194-F197 PolarHBondContact O-N 3.01Å; A194-F197 VanDerWaalsContact O-N 3.16Å
195D94.3Very high97.4Very high92 Ų9239.4 Ų39.449%0.49221%0.207SC..G310 helixtrans-63.5-24.2175.660.6-25.1000113.6S193S193-D195 WeakPolarHBondContact CB-OD1 3.43Å; S193-D195 PolarHBondContact O-N 3.45Å; S193-D195 VanDerWaalsContact O-N 3.12Å; S193-D195 PolarHBondContact OG-OD1 3.5Å
196G96.3Very high97.5Very high0 Ų038.2 Ų38.20%020%0.2CC..G310 helixtrans-86-10.6175.100000115S193 A194 K198 L199 V200S193-G196 PolarHBondContact O-N 2.9Å; A194-G196 PolarHBondContact O-N 3.32Å; G196-K198 PolarHBondContact O-N 2.91Å; G196-L199 PolarHBondContact O-N 3.37Å; G196-V200 WeakPolarHBondContact O-CG2 3.28Å; G196-V200 PolarHBondContact O-N 2.93Å
197F97.6Very high97.5Very high57 Ų5742.8 Ų42.825%0.2522%0.221CC..Hα-helixtrans-59.5-46.9-168.3-84.120.8000113.3S193 A194 L199 V200 K201 V208 D210S193-F197 WeakPolarHBondContact O-CD1 3.36Å; A194-F197 WeakPolarHBondContact O-CB 3.13Å; A194-F197 PolarHBondContact O-N 3.01Å; A194-F197 VanDerWaalsContact O-N 3.16Å; F197-L199 VanDerWaalsContact C-N 3.34Å; F197-L199 PolarHBondContact O-N 3.38Å; F197-V200 WeakPolarHBondContact O-CG2 3.32Å; F197-K201 WeakPolarHBondContact O-CB 3.46Å; F197-K201 WeakPolarHBondContact O-CG 3.04Å; F197-K201 PolarHBondContact O-N 3.04Å; F197-K201 VanDerWaalsContact O-N 3.14Å; F197-V208 HydrophobicContact CD1-CG1 3.54Å; F197-V208 HydrophobicContact CE1-CB 4.32Å; F197-V208 HydrophobicContact CE1-CG1 3.31Å; F197-V208 HydrophobicContact CE2-CG1 4.45Å; F197-V208 HydrophobicContact CG-CG1 4.19Å; F197-V208 HydrophobicContact CZ-CB 4.35Å; F197-V208 HydrophobicContact CZ-CG1 3.76Å; F197-D210 HydrophobicContact CE1-CB 4.07Å; F197-D210 HydrophobicContact CZ-CB 3.6Å
198K97.5Very high97.5Very high154 Ų15442 Ų4267%0.6722%0.218SC*.Hα-helixtrans-59.4-48.4178.5180177.7173.1-179.40110.6G196 K201 E202G196-K198 PolarHBondContact O-N 2.91Å; K198-K201 PolarHBondContact O-N 3.47Å; K198-E202 WeakPolarHBondContact CE-OE1 3.25Å; K198-E202 WeakPolarHBondContact CG-OE1 3.35Å; K198-E202 IonicContact NZ-OE1 3.83Å; K198-E202 WeakPolarHBondContact O-CB 3.33Å; K198-E202 WeakPolarHBondContact O-CG 3.33Å; K198-E202 PolarHBondContact O-N 3.36Å
199L98.1Very high97.4Very high30 Ų3042.5 Ų42.516%0.15722%0.22CC..Hα-helixtrans-60-52.4-179.5174.563.3000111.6T175 G196 F197 K201 E202 L203 V321 L344T175-L199 HydrophobicContact CG2-CD2 3.98Å; G196-L199 PolarHBondContact O-N 3.37Å; F197-L199 VanDerWaalsContact C-N 3.34Å; F197-L199 PolarHBondContact O-N 3.38Å; L199-K201 VanDerWaalsContact C-N 3.31Å; L199-K201 PolarHBondContact O-N 2.84Å; L199-E202 PolarHBondContact O-N 2.89Å; L199-L203 HydrophobicContact CD1-CD1 3.84Å; L199-L203 HydrophobicContact CD1-CG 4.07Å; L199-L203 HydrophobicContact CG-CD1 3.86Å; L199-L203 HydrophobicContact CG-CG 4.46Å; L199-L203 VanDerWaalsContact O-CG 3.23Å; L199-L203 WeakPolarHBondContact O-CG 3.47Å; L199-L203 PolarHBondContact O-N 3.41Å; L199-V321 HydrophobicContact CD1-CG1 4.04Å; L199-V321 HydrophobicContact CD2-CG1 4.08Å; L199-L344 HydrophobicContact CD2-CB 3.74Å
200V98.4Very high97.3Very high0 Ų043.4 Ų43.40%023%0.225CC..Hα-helixtrans-66.1-34.5-174.7-60.50000112.1I178 V190 G196 F197 L203 G204 A205 V208I178-V200 HydrophobicContact CD1-CB 3.78Å; I178-V200 HydrophobicContact CD1-CG1 3.71Å; V190-V200 HydrophobicContact CG1-CB 4.38Å; V190-V200 HydrophobicContact CG1-CG1 4.19Å; G196-V200 WeakPolarHBondContact O-CG2 3.28Å; G196-V200 PolarHBondContact O-N 2.93Å; F197-V200 WeakPolarHBondContact O-CG2 3.32Å; V200-L203 PolarHBondContact O-N 3.17Å; V200-G204 PolarHBondContact O-N 3.37Å; V200-A205 HydrophobicContact CB-CB 4.18Å; V200-A205 HydrophobicContact CG2-CB 4.35Å; V200-A205 WeakPolarHBondContact O-CB 3.49Å; V200-A205 PolarHBondContact O-N 3.25Å; V200-V208 HydrophobicContact CG2-CG1 3.93Å; V200-V208 HydrophobicContact CG2-CG2 3.69Å
201K98.4Very high97.2Very high125 Ų12549.1 Ų49.154%0.54325%0.248SC..Hα-helixtrans-66.4-44.7173.3-72.7-174.9177.3-170.70111.9F197 K198 L199 L203 G204 V208F197-K201 WeakPolarHBondContact O-CB 3.46Å; F197-K201 WeakPolarHBondContact O-CG 3.04Å; F197-K201 PolarHBondContact O-N 3.04Å; F197-K201 VanDerWaalsContact O-N 3.14Å; K198-K201 PolarHBondContact O-N 3.47Å; L199-K201 VanDerWaalsContact C-N 3.31Å; L199-K201 PolarHBondContact O-N 2.84Å; K201-L203 PolarHBondContact O-N 3.49Å; K201-G204 PolarHBondContact O-N 3.1Å; K201-V208 HydrophobicContact CG-CG2 3.9Å
202E98Very high97Very high111 Ų11155.4 Ų55.452%0.51928%0.275SS..Hα-helixtrans-62.6-26.3174.9-75.8176.4-174.900113.2K198 L199 G204K198-E202 WeakPolarHBondContact CE-OE1 3.25Å; K198-E202 WeakPolarHBondContact CG-OE1 3.35Å; K198-E202 IonicContact NZ-OE1 3.83Å; K198-E202 WeakPolarHBondContact O-CB 3.33Å; K198-E202 WeakPolarHBondContact O-CG 3.33Å; K198-E202 PolarHBondContact O-N 3.36Å; L199-E202 PolarHBondContact O-N 2.89Å; E202-G204 VanDerWaalsContact C-N 3.33Å
203L98.4Very high97Very high10 Ų1059.7 Ų59.75%0.05230%0.295CS..THydrogen-bonded Turntrans-81.4-12.2174.6-66171.6000113.2T175 I178 Q179 L199 V200 K201 K319 V321T175-L203 HydrophobicContact CG2-CD1 3.69Å; I178-L203 HydrophobicContact CB-CB 4.38Å; I178-L203 HydrophobicContact CG2-CB 3.79Å; Q179-L203 HydrophobicContact CG-CB 4.06Å; Q179-L203 HydrophobicContact CG-CD2 3.75Å; Q179-L203 HydrophobicContact CG-CG 4.41Å; L199-L203 HydrophobicContact CD1-CD1 3.84Å; L199-L203 HydrophobicContact CD1-CG 4.07Å; L199-L203 HydrophobicContact CG-CD1 3.86Å; L199-L203 HydrophobicContact CG-CG 4.46Å; L199-L203 VanDerWaalsContact O-CG 3.23Å; L199-L203 WeakPolarHBondContact O-CG 3.47Å; L199-L203 PolarHBondContact O-N 3.41Å; V200-L203 PolarHBondContact O-N 3.17Å; K201-L203 PolarHBondContact O-N 3.49Å; L203-K319 VanDerWaalsContact CD2-CE 3.43Å; L203-K319 HydrophobicContact CD2-CG 4.37Å; L203-V321 HydrophobicContact CD1-CG2 4.32Å; L203-V321 HydrophobicContact CD2-CG2 3.88Å
204G98Very high97Very high17 Ų1764.8 Ų64.818%0.17533%0.327CS..THydrogen-bonded Turntrans113.313.4174.800000115.8V200 K201 E202 N206V200-G204 PolarHBondContact O-N 3.37Å; K201-G204 PolarHBondContact O-N 3.1Å; E202-G204 VanDerWaalsContact C-N 3.33Å; G204-N206 PolarHBondContact O-N 3.2Å
205A98.4Very high97Very high10 Ų1064.7 Ų64.78%0.08332%0.319CS..  trans-63.3127.2170.400000110.7I178 V190 V200 V208I178-A205 HydrophobicContact CG2-CB 4.3Å; V190-A205 HydrophobicContact CB-CB 4.3Å; V190-A205 HydrophobicContact CG2-CB 3.64Å; V200-A205 HydrophobicContact CB-CB 4.18Å; V200-A205 HydrophobicContact CG2-CB 4.35Å; V200-A205 WeakPolarHBondContact O-CB 3.49Å; V200-A205 PolarHBondContact O-N 3.25Å; A205-V208 HydrophobicContact CB-CG2 4.23Å
206N98.3Very high97.2Very high77 Ų7760.6 Ų60.641%0.41230%0.298SS..SBendtrans-76.2-46.1176.9-64.578.7000110.8D187 V188 G204D187-N206 WeakPolarHBondContact OD1-CB 3.22Å; D187-N206 PolarHBondContact OD1-OD1 3.47Å; V188-N206 PolarHBondContact N-OD1 2.96Å; V188-N206 PolarHBondContact O-N 2.94Å; G204-N206 PolarHBondContact O-N 3.2Å
207E97.7Very high97.2Very high101 Ų10160.7 Ų60.747%0.47230%0.299SS..EExtended strand (participates in β ladder)trans-128.4143.8-177.5-70.5-63.3164.700110.6V188 T189 V190V188-E207 PolarHBondContact O-N 3.41Å; T189-E207 CarbonylContact C-O 3.59Å; T189-E207 WeakPolarHBondContact CA-O 3.45Å; T189-E207 HydrophobicContact CG2-CB 4.02Å; V190-E207 PolarHBondContact N-O 3.5Å
208V98.1Very high97.2Very high25 Ų2561.9 Ų61.915%0.15231%0.305CS..EExtended strand (participates in β ladder)trans-133.1125.1-179.4-166.20000110.7V190 F197 V200 K201 A205V190-V208 CarbonylContact O-C 3.53Å; V190-V208 VanDerWaalsContact O-CA 3.3Å; V190-V208 WeakPolarHBondContact O-CA 3.34Å; F197-V208 HydrophobicContact CD1-CG1 3.54Å; F197-V208 HydrophobicContact CE1-CB 4.32Å; F197-V208 HydrophobicContact CE1-CG1 3.31Å; F197-V208 HydrophobicContact CE2-CG1 4.45Å; F197-V208 HydrophobicContact CG-CG1 4.19Å; F197-V208 HydrophobicContact CZ-CB 4.35Å; F197-V208 HydrophobicContact CZ-CG1 3.76Å; V200-V208 HydrophobicContact CG2-CG1 3.93Å; V200-V208 HydrophobicContact CG2-CG2 3.69Å; K201-V208 HydrophobicContact CG-CG2 3.9Å; A205-V208 HydrophobicContact CB-CG2 4.23Å
209V97.7Very high97.2Very high9 Ų960.8 Ų60.86%0.05530%0.297CS..EExtended strand (participates in β ladder)trans-106.4120.7177.3-179.20000109.2T189 V190 S191 C192 Y211 A216 L237T189-V209 HydrophobicContact CG2-CG2 4.38Å; V190-V209 PolarHBondContact O-N 3.45Å; S191-V209 VanDerWaalsContact CA-O 3.26Å; S191-V209 WeakPolarHBondContact CA-O 3.48Å; C192-V209 PolarHBondContact N-O 3.14Å; V209-Y211 PolarHBondContact O-N 3.46Å; V209-A216 HydrophobicContact CG1-CB 3.93Å; V209-L237 HydrophobicContact CG1-CD1 4.27Å
210D96.6Very high97.2Very high20 Ų2059.4 Ų59.411%0.10729%0.289CS..EExtended strand (participates in β ladder)trans-77.1105.7172.9-177.24.9000109.9C192 F197 K212 Q213 A216C192-D210 WeakPolarHBondContact O-CA 3.42Å; F197-D210 HydrophobicContact CE1-CB 4.07Å; F197-D210 HydrophobicContact CZ-CB 3.6Å; D210-K212 PolarHBondContact O-N 3.19Å; D210-K212 VanDerWaalsContact O-N 3.07Å; D210-K212 WeakPolarHBondContact OD1-CB 3.37Å; D210-K212 PolarHBondContact OD1-N 3.36Å; D210-Q213 HydrophobicContact CB-CG 3.67Å; D210-Q213 PolarHBondContact O-N 2.82Å; D210-Q213 PolarHBondContact OD2-NE2 3.01Å; D210-A216 VanDerWaalsContact O-CB 3.27Å; D210-A216 WeakPolarHBondContact O-CB 3.47Å
211Y94.9Very high97.2Very high120 Ų12063.5 Ų63.547%0.47131%0.307SS..THydrogen-bonded Turntrans-64.5-13-178.678.1-91.5000113.8C192 S193 V209C192-Y211 VanDerWaalsContact C-CD1 3.45Å; S193-Y211 VanDerWaalsContact N-CE1 3.34Å; V209-Y211 PolarHBondContact O-N 3.46Å
212K94.3Very high97.1Very high133 Ų13365.3 Ų65.358%0.57832%0.317SS*.THydrogen-bonded Turntrans-84.7-12.6176.4-64.4-177.5176173.80112.9D210D210-K212 PolarHBondContact O-N 3.19Å; D210-K212 VanDerWaalsContact O-N 3.07Å; D210-K212 WeakPolarHBondContact OD1-CB 3.37Å; D210-K212 PolarHBondContact OD1-N 3.36Å
213Q96.1Very high97.1Very high90 Ų9062.2 Ų62.242%0.42130%0.304SS..SBendtrans-78.1140.5178.2-61.2-61.5-32.500110.5D210 D215 A216D210-Q213 HydrophobicContact CB-CG 3.67Å; D210-Q213 PolarHBondContact O-N 2.82Å; D210-Q213 PolarHBondContact OD2-NE2 3.01Å; Q213-D215 VanDerWaalsContact CB-OD1 3.28Å; Q213-D215 WeakPolarHBondContact CB-OD1 3.46Å; Q213-D215 PolarHBondContact O-N 3.04Å; Q213-A216 VanDerWaalsContact O-CB 3.26Å; Q213-A216 WeakPolarHBondContact O-CB 3.46Å; Q213-A216 PolarHBondContact O-N 3.01Å; Q213-A216 VanDerWaalsContact O-N 3.15Å
214P95Very high97Very high120 Ų12068 Ų6878%0.77933%0.331SS*.THydrogen-bonded Turntrans-59.6-26.3178.5-24.634.1000114.2
215D95.9Very high97Very high58 Ų5870.6 Ų70.631%0.3134%0.338SS..THydrogen-bonded Turntrans-96.310-178.368-17.7000113.3Q213 A217 E218 R219Q213-D215 VanDerWaalsContact CB-OD1 3.28Å; Q213-D215 WeakPolarHBondContact CB-OD1 3.46Å; Q213-D215 PolarHBondContact O-N 3.04Å; D215-A217 VanDerWaalsContact C-N 3.31Å; D215-A217 PolarHBondContact O-N 3.1Å; D215-E218 PolarHBondContact O-N 3.01Å; D215-R219 VanDerWaalsContact CG-NE 3.29Å; D215-R219 WeakPolarHBondContact O-CG 3.37Å; D215-R219 PolarHBondContact O-N 3.17Å; D215-R219 IonicContact OD1-CZ 3.8Å; D215-R219 IonicContact OD1-NE 2.71Å; D215-R219 PolarHBondContact OD1-NE 3.15Å; D215-R219 IonicContact OD1-NH2 3.6Å; D215-R219 IonicContact OD2-CZ 2.78Å; D215-R219 VanDerWaalsContact OD2-CZ 3.22Å; D215-R219 IonicContact OD2-NE 2.72Å; D215-R219 PolarHBondContact OD2-NE 2.88Å; D215-R219 IonicContact OD2-NH2 3.51Å; D215-R219 PolarHBondContact OD2-NH2 2.82Å
216A97.1Very high97Very high6 Ų670.1 Ų70.15%0.0533%0.334CS..Hα-helixtrans-59-40.4-174.900000113V209 D210 Q213 L220 L237V209-A216 HydrophobicContact CG1-CB 3.93Å; D210-A216 VanDerWaalsContact O-CB 3.27Å; D210-A216 WeakPolarHBondContact O-CB 3.47Å; Q213-A216 VanDerWaalsContact O-CB 3.26Å; Q213-A216 WeakPolarHBondContact O-CB 3.46Å; Q213-A216 PolarHBondContact O-N 3.01Å; Q213-A216 VanDerWaalsContact O-N 3.15Å; A216-L220 PolarHBondContact O-N 3.45Å; A216-L220 VanDerWaalsContact O-N 3.08Å; A216-L237 HydrophobicContact CB-CD2 4.24Å
217A97.4Very high97Very high2 Ų266.9 Ų66.92%0.01732%0.316CS..Hα-helixtrans-65.7-44.7178.200000111.4D215 L220 K221 E236 L237 V240D215-A217 VanDerWaalsContact C-N 3.31Å; D215-A217 PolarHBondContact O-N 3.1Å; A217-L220 PolarHBondContact O-N 3.37Å; A217-K221 VanDerWaalsContact O-CG 3.27Å; A217-K221 WeakPolarHBondContact O-CG 3.45Å; A217-K221 PolarHBondContact O-N 3.15Å; A217-E236 HydrophobicContact CB-CG 4.14Å; A217-E236 WeakPolarHBondContact CB-OE1 3.48Å; A217-L237 HydrophobicContact CB-CD2 4.47Å; A217-V240 HydrophobicContact CB-CG2 3.93Å
218E97.8Very high97.1Very high82 Ų8262.1 Ų62.138%0.38329%0.294SS..Hα-helixtrans-65.2-43.8179.6-77.352.5-123.700110.8D215 L220 K221 Q222D215-E218 PolarHBondContact O-N 3.01Å; E218-L220 VanDerWaalsContact C-N 3.32Å; E218-L220 PolarHBondContact O-N 3.36Å; E218-K221 PolarHBondContact O-N 3.07Å; E218-K221 IonicContact OE1-NZ 3.69Å; E218-K221 PolarHBondContact OE1-NZ 2.81Å; E218-Q222 WeakPolarHBondContact O-CG 3.44Å; E218-Q222 PolarHBondContact O-N 2.69Å
219R97Very high97.1Very high131 Ų13161 Ų6149%0.49429%0.287SS..Hα-helixtrans-58.4-44.4173.3-72.7-174.4-171.4-157.96.2111.8D215 K221 Q222D215-R219 VanDerWaalsContact CG-NE 3.29Å; D215-R219 WeakPolarHBondContact O-CG 3.37Å; D215-R219 PolarHBondContact O-N 3.17Å; D215-R219 IonicContact OD1-CZ 3.8Å; D215-R219 IonicContact OD1-NE 2.71Å; D215-R219 PolarHBondContact OD1-NE 3.15Å; D215-R219 IonicContact OD1-NH2 3.6Å; D215-R219 IonicContact OD2-CZ 2.78Å; D215-R219 VanDerWaalsContact OD2-CZ 3.22Å; D215-R219 IonicContact OD2-NE 2.72Å; D215-R219 PolarHBondContact OD2-NE 2.88Å; D215-R219 IonicContact OD2-NH2 3.51Å; D215-R219 PolarHBondContact OD2-NH2 2.82Å; R219-K221 VanDerWaalsContact C-N 3.33Å; R219-K221 PolarHBondContact O-N 3.24Å; R219-Q222 PolarHBondContact O-N 3.41Å
220L97.9Very high97.1Very high0 Ų060.6 Ų60.60%029%0.285CS..Hα-helixtrans-64.4-38.9177.7-173.362.1000111.6F165 T189 A216 A217 E218 Q222 L223 F226 L237 V240 M244F165-L220 HydrophobicContact CD1-CD2 4.33Å; F165-L220 HydrophobicContact CD2-CD1 4.06Å; F165-L220 HydrophobicContact CE1-CD1 4.47Å; F165-L220 HydrophobicContact CE1-CD2 3.63Å; F165-L220 HydrophobicContact CE2-CD1 3.92Å; F165-L220 HydrophobicContact CE2-CD2 4.2Å; F165-L220 HydrophobicContact CG-CD1 4.43Å; F165-L220 HydrophobicContact CZ-CD1 4.14Å; F165-L220 HydrophobicContact CZ-CD2 3.57Å; T189-L220 HydrophobicContact CG2-CD1 4.39Å; A216-L220 PolarHBondContact O-N 3.45Å; A216-L220 VanDerWaalsContact O-N 3.08Å; A217-L220 PolarHBondContact O-N 3.37Å; E218-L220 VanDerWaalsContact C-N 3.32Å; E218-L220 PolarHBondContact O-N 3.36Å; L220-Q222 VanDerWaalsContact C-N 3.29Å; L220-Q222 PolarHBondContact O-N 2.82Å; L220-L223 HydrophobicContact CD1-CD1 4.22Å; L220-L223 PolarHBondContact O-N 3.16Å; L220-F226 HydrophobicContact CD1-CE2 3.67Å; L220-F226 HydrophobicContact CD1-CZ 3.74Å; L220-F226 HydrophobicContact CG-CE2 4.45Å; L220-L237 HydrophobicContact CB-CD2 4.44Å; L220-L237 HydrophobicContact CD2-CD2 3.99Å; L220-V240 HydrophobicContact CB-CG1 4.13Å; L220-V240 HydrophobicContact CD2-CB 4.15Å; L220-V240 HydrophobicContact CD2-CG1 3.75Å; L220-V240 HydrophobicContact CG-CG1 4.03Å; L220-M244 HydrophobicContact CG-CG 4.44Å; L220-M244 WeakPolarHBondContact O-CE 3.4Å
221K97.8Very high97.2Very high87 Ų8759.8 Ų59.838%0.37828%0.28SS..Hα-helixtrans-66.8-26.1176.7-69.4166.9-164.2160.60113.7A217 E218 R219 L223 V240 M244A217-K221 VanDerWaalsContact O-CG 3.27Å; A217-K221 WeakPolarHBondContact O-CG 3.45Å; A217-K221 PolarHBondContact O-N 3.15Å; E218-K221 PolarHBondContact O-N 3.07Å; E218-K221 IonicContact OE1-NZ 3.69Å; E218-K221 PolarHBondContact OE1-NZ 2.81Å; R219-K221 VanDerWaalsContact C-N 3.33Å; R219-K221 PolarHBondContact O-N 3.24Å; K221-L223 VanDerWaalsContact C-N 3.29Å; K221-V240 HydrophobicContact CG-CG1 3.71Å; K221-M244 HydrophobicContact CB-SD 4.43Å; K221-M244 HydrophobicContact CG-SD 4.45Å
222Q97.3Very high97.3Very high162 Ų16255.9 Ų55.976%0.75727%0.267SS*.Hα-helixtrans-77-15.2177.5-74173.1-6.700113.3E218 R219 L220E218-Q222 WeakPolarHBondContact O-CG 3.44Å; E218-Q222 PolarHBondContact O-N 2.69Å; R219-Q222 PolarHBondContact O-N 3.41Å; L220-Q222 VanDerWaalsContact C-N 3.29Å; L220-Q222 PolarHBondContact O-N 2.82Å
223L97.2Very high97.4Very high47 Ų4751.1 Ų51.125%0.24625%0.253CS..SBendtrans-77.6159.7175.8-59.5-179.3000111.1T189 L220 K221 F226 M244T189-L223 HydrophobicContact CG2-CD1 3.74Å; L220-L223 HydrophobicContact CD1-CD1 4.22Å; L220-L223 PolarHBondContact O-N 3.16Å; K221-L223 VanDerWaalsContact C-N 3.29Å; L223-F226 HydrophobicContact CB-CZ 4.44Å; L223-F226 HydrophobicContact CD1-CZ 4.2Å; L223-M244 WeakPolarHBondContact O-CE 3.48Å
224E96.9Very high97.2Very high130 Ų13049.1 Ų49.161%0.60726%0.257SS*.PPolyproline II helixtrans-63.8141.5167.8-66.6-173.415900111.2R163R163-E224 PolarHBondContact NE-O 3.44Å; R163-E224 IonicContact NH1-OE2 2.74Å
225K98.2Very high97Very high73 Ų7346.2 Ų46.232%0.31725%0.249SC..PPolyproline II helixtrans-52.6149.6177.2-69.9-168.2173.1-156.90112.6R163 M244 R246 D247R163-K225 WeakPolarHBondContact CD-O 3.45Å; K225-M244 CarbonylContact C-O 3.42Å; K225-M244 WeakPolarHBondContact CA-O 3.19Å; K225-M244 VanDerWaalsContact CB-O 3.24Å; K225-M244 WeakPolarHBondContact CB-O 3.36Å; K225-M244 HydrophobicContact CG-CE 4.23Å; K225-R246 HydrophobicContact CB-CB 4.31Å; K225-R246 HydrophobicContact CB-CG 3.41Å; K225-R246 VanDerWaalsContact CB-CG 3.41Å; K225-R246 PolarHBondContact O-NE 3.45Å; K225-D247 IonicContact NZ-OD1 2.68Å; K225-D247 IonicContact NZ-OD2 3.38Å; K225-D247 PolarHBondContact NZ-OD2 3.49Å
226F98.4Very high97Very high0 Ų049.1 Ų49.10%026%0.26CS..BIsolated β-bridgetrans-94.4148-175.3-56.6-75.6000113.1R163 F165 T189 L220 L223 V229 M244 R246R163-F226 HydrophobicContact CB-CD1 3.93Å; F165-F226 HydrophobicContact CB-CB 4.33Å; F165-F226 HydrophobicContact CB-CD1 3.64Å; F165-F226 HydrophobicContact CB-CD2 3.63Å; F165-F226 HydrophobicContact CB-CE1 3.8Å; F165-F226 HydrophobicContact CB-CE2 3.78Å; F165-F226 HydrophobicContact CB-CG 3.57Å; F165-F226 HydrophobicContact CB-CZ 3.87Å; F165-F226 HydrophobicContact CD2-CZ 4.44Å; F165-F226 HydrophobicContact CG-CD2 4.3Å; F165-F226 HydrophobicContact CG-CE2 4.08Å; F165-F226 HydrophobicContact CG-CZ 4.25Å; T189-F226 HydrophobicContact CG2-CE1 4.26Å; T189-F226 HydrophobicContact CG2-CZ 4.09Å; T189-F226 WeakPolarHBondContact OG1-CE1 3.4Å; L220-F226 HydrophobicContact CD1-CE2 3.67Å; L220-F226 HydrophobicContact CD1-CZ 3.74Å; L220-F226 HydrophobicContact CG-CE2 4.45Å; L223-F226 HydrophobicContact CB-CZ 4.44Å; L223-F226 HydrophobicContact CD1-CZ 4.2Å; F226-V229 HydrophobicContact CB-CG2 3.94Å; F226-V229 HydrophobicContact CD2-CG2 4.4Å; F226-V229 HydrophobicContact CG-CG2 4.47Å; F226-M244 HydrophobicContact CD2-CB 3.77Å; F226-M244 HydrophobicContact CE2-CB 3.89Å; F226-M244 PolarHBondContact N-O 2.92Å; F226-R246 WeakPolarHBondContact O-CB 3.37Å; F226-R246 WeakPolarHBondContact O-CG 3.28Å; F226-R246 PolarHBondContact O-N 2.9Å
227D98Very high97Very high8 Ų849.3 Ų49.34%0.04326%0.26CS..SBendtrans-80.3-33.8168.9-60.8-66.8000111.6P162 R163 R246 Q248 S251 V252P162-D227 WeakPolarHBondContact CA-OD2 3.45Å; P162-D227 HydrophobicContact CB-CB 4.09Å; R163-D227 PolarHBondContact N-OD2 2.76Å; R163-D227 PolarHBondContact O-N 3.39Å; D227-R246 VanDerWaalsContact OD1-CD 3.31Å; D227-R246 WeakPolarHBondContact OD1-CD 3.48Å; D227-R246 IonicContact OD1-CZ 3.47Å; D227-R246 IonicContact OD1-NE 3.22Å; D227-R246 IonicContact OD1-NH1 2.76Å; D227-R246 PolarHBondContact OD1-NH1 2.93Å; D227-R246 IonicContact OD2-CZ 2.67Å; D227-R246 IonicContact OD2-NH1 2.82Å; D227-R246 PolarHBondContact OD2-NH1 3.25Å; D227-Q248 PolarHBondContact OD1-NE2 3.02Å; D227-S251 CarbonylContact O-C 3.55Å; D227-S251 WeakPolarHBondContact O-CA 3.21Å; D227-V252 PolarHBondContact O-N 3.22Å
228I98.5Very high97Very high1 Ų149.9 Ų49.91%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-134.1130.6-177.1-52.8170.1000108.1L149 G153 L155 R163 L164 F165 V252L149-I228 HydrophobicContact CD2-CG2 4.16Å; G153-I228 VanDerWaalsContact O-CD1 3.32Å; G153-I228 WeakPolarHBondContact O-CD1 3.26Å; L155-I228 HydrophobicContact CB-CD1 4.37Å; L155-I228 HydrophobicContact CD1-CD1 4.3Å; R163-I228 PolarHBondContact O-N 3.17Å; R163-I228 VanDerWaalsContact O-N 3.14Å; L164-I228 CarbonylContact C-O 3.49Å; L164-I228 WeakPolarHBondContact CA-O 3.49Å; L164-I228 HydrophobicContact CD1-CB 3.79Å; L164-I228 HydrophobicContact CD1-CG2 3.66Å; F165-I228 PolarHBondContact N-O 3.44Å; I228-V252 CarbonylContact C-O 3.52Å; I228-V252 WeakPolarHBondContact CA-O 3.47Å
229V98.6Very high96.9Very high1 Ų153 Ų531%0.00628%0.277CS..EExtended strand (participates in β ladder)trans-120.8116172.3175.30000108.1F165 F226 G241 L245 V252 Y253 A254F165-V229 HydrophobicContact CB-CG2 4.27Å; F165-V229 HydrophobicContact CD1-CG1 3.92Å; F165-V229 HydrophobicContact CD1-CG2 4.47Å; F165-V229 WeakPolarHBondContact O-CA 3.25Å; F226-V229 HydrophobicContact CB-CG2 3.94Å; F226-V229 HydrophobicContact CD2-CG2 4.4Å; F226-V229 HydrophobicContact CG-CG2 4.47Å; V229-G241 WeakPolarHBondContact CG2-O 3.5Å; V229-L245 HydrophobicContact CB-CD1 4.32Å; V229-L245 HydrophobicContact CG2-CB 4.44Å; V229-L245 HydrophobicContact CG2-CD1 3.74Å; V229-V252 PolarHBondContact N-O 3.49Å; V229-Y253 HydrophobicContact CB-CD2 3.8Å; V229-Y253 HydrophobicContact CB-CE2 4.46Å; V229-Y253 HydrophobicContact CG1-CD2 3.55Å; V229-Y253 HydrophobicContact CG1-CE2 3.7Å; V229-A254 PolarHBondContact O-N 2.87Å
230L98.7Very high97Very high1 Ų147 Ų471%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-103.2107.9172.6-177.967.4000109.2L149 F165 I166 N167 A177 L232 L256L149-L230 HydrophobicContact CD1-CD2 4.2Å; L149-L230 HydrophobicContact CD2-CB 4.32Å; L149-L230 HydrophobicContact CD2-CD2 4.18Å; L149-L230 HydrophobicContact CG-CD2 4.3Å; F165-L230 PolarHBondContact O-N 2.98Å; I166-L230 WeakPolarHBondContact CA-O 3.49Å; I166-L230 HydrophobicContact CG1-CB 4.48Å; N167-L230 PolarHBondContact N-O 3.41Å; A177-L230 HydrophobicContact CB-CD2 3.72Å; L230-L232 HydrophobicContact CD1-CD2 4.29Å; L230-L232 HydrophobicContact CD2-CD1 4.41Å; L230-L232 HydrophobicContact CD2-CD2 4.09Å; L230-L232 HydrophobicContact CD2-CG 4.41Å; L230-L232 HydrophobicContact CG-CD2 3.9Å; L230-L232 HydrophobicContact CG-CG 4.21Å; L230-L256 HydrophobicContact CD1-CD1 3.64Å
231N98.5Very high97Very high4 Ų447 Ų472%0.02126%0.255CS..EExtended strand (participates in β ladder)trans-95.3112.4-179-174.457.7000112N167 A233 A238 Y253 A254 S255 L256N167-N231 WeakPolarHBondContact CB-OD1 3.31Å; N167-N231 PolarHBondContact ND2-OD1 2.85Å; N231-A233 VanDerWaalsContact CG-O 3.32Å; N231-A233 PolarHBondContact ND2-O 3.01Å; N231-A233 PolarHBondContact OD1-O 3.3Å; N231-A238 WeakPolarHBondContact OD1-CB 3.21Å; N231-Y253 HydrophobicContact CB-CE2 4.22Å; N231-A254 PolarHBondContact N-O 3.47Å; N231-S255 PolarHBondContact ND2-OG 2.86Å; N231-S255 VanDerWaalsContact ND2-OG 3.08Å; N231-S255 WeakPolarHBondContact O-CA 3.29Å; N231-L256 PolarHBondContact O-N 2.86Å
232L97.4Very high96.9Very high37 Ų3744.1 Ų44.119%0.19424%0.243CC..  trans-109.4-11.9179.9-49.4174.5000112.9I166 N167 G168 V173 L230 L256I166-L232 HydrophobicContact CG2-CD1 3.76Å; I166-L232 HydrophobicContact CG2-CG 4.49Å; N167-L232 WeakPolarHBondContact O-CA 3.14Å; N167-L232 WeakPolarHBondContact O-CB 3.19Å; N167-L232 PolarHBondContact O-N 3.09Å; G168-L232 WeakPolarHBondContact O-CD1 3.43Å; V173-L232 HydrophobicContact CB-CD1 3.96Å; V173-L232 HydrophobicContact CB-CD2 4.04Å; V173-L232 HydrophobicContact CG1-CD1 3.96Å; V173-L232 HydrophobicContact CG1-CD2 3.56Å; V173-L232 HydrophobicContact CG1-CG 4.44Å; L230-L232 HydrophobicContact CD1-CD2 4.29Å; L230-L232 HydrophobicContact CD2-CD1 4.41Å; L230-L232 HydrophobicContact CD2-CD2 4.09Å; L230-L232 HydrophobicContact CD2-CG 4.41Å; L230-L232 HydrophobicContact CG-CD2 3.9Å; L230-L232 HydrophobicContact CG-CG 4.21Å; L232-L256 HydrophobicContact CD2-CB 4.25Å; L232-L256 HydrophobicContact CD2-CD1 3.74Å; L232-L256 HydrophobicContact CD2-CD2 3.64Å; L232-L256 HydrophobicContact CD2-CG 4.09Å
233A95Very high96.9Very high33 Ų3342 Ų4227%0.27323%0.234SC..SBendtrans-128.8159.3-175.600000111.6N167 N231N167-A233 PolarHBondContact ND2-O 2.9Å; N167-A233 PolarHBondContact O-N 3.39Å; N231-A233 VanDerWaalsContact CG-O 3.32Å; N231-A233 PolarHBondContact ND2-O 3.01Å; N231-A233 PolarHBondContact OD1-O 3.3Å
234G92.3Very high96.9Very high49 Ų4940.6 Ų40.651%0.50523%0.226SC..  trans-82.5-158169.100000111.9
235G92.1Very high96.9Very high59 Ų5934.4 Ų34.461%0.60820%0.197SC*.SBendtrans83.5-17317500000114L237 A238G235-L237 PolarHBondContact O-N 2.88Å; G235-A238 WeakPolarHBondContact O-CB 3.24Å; G235-A238 PolarHBondContact O-N 3.44Å
236E95.5Very high96.9Very high119 Ų11934 Ų3456%0.55619%0.193SC*.Hα-helixtrans-63.4-39.7-172.5-174.3173.3-173.100113A217 A238 K239 V240A217-E236 HydrophobicContact CB-CG 4.14Å; A217-E236 WeakPolarHBondContact CB-OE1 3.48Å; E236-A238 PolarHBondContact O-N 2.85Å; E236-A238 VanDerWaalsContact O-N 3.16Å; E236-K239 WeakPolarHBondContact O-CB 3.44Å; E236-K239 PolarHBondContact O-N 2.84Å; E236-V240 HydrophobicContact CG-CG2 4.13Å; E236-V240 PolarHBondContact O-N 2.87Å
237L97.1Very high96.8Very high9 Ų938.3 Ų38.35%0.04722%0.216CC..Hα-helixtrans-64.1-21.3180-63.9-171.6000113.7N167 V209 A216 A217 L220 G235 G241N167-L237 WeakPolarHBondContact OD1-CB 3.35Å; V209-L237 HydrophobicContact CG1-CD1 4.27Å; A216-L237 HydrophobicContact CB-CD2 4.24Å; A217-L237 HydrophobicContact CB-CD2 4.47Å; L220-L237 HydrophobicContact CB-CD2 4.44Å; L220-L237 HydrophobicContact CD2-CD2 3.99Å; G235-L237 PolarHBondContact O-N 2.88Å; L237-G241 WeakPolarHBondContact O-CA 3.5Å; L237-G241 PolarHBondContact O-N 2.91Å
238A96.7Very high96.7Very high14 Ų1441.8 Ų41.812%0.11623%0.233CC..Hα-helixtrans-66.2-43.3171.100000111N167 N231 G235 E236 Q242N167-A238 PolarHBondContact ND2-N 3.2Å; N231-A238 WeakPolarHBondContact OD1-CB 3.21Å; G235-A238 WeakPolarHBondContact O-CB 3.24Å; G235-A238 PolarHBondContact O-N 3.44Å; E236-A238 PolarHBondContact O-N 2.85Å; E236-A238 VanDerWaalsContact O-N 3.16Å; A238-Q242 PolarHBondContact O-N 3.38Å
239K96.5Very high96.4Very high148 Ų14851 Ų5164%0.64327%0.273SS*.Hα-helixtrans-70.1-44.6177.6-62.5-179-179.7179.10111.4E236 Q242 Q243E236-K239 WeakPolarHBondContact O-CB 3.44Å; E236-K239 PolarHBondContact O-N 2.84Å; K239-Q242 WeakPolarHBondContact O-CB 3.47Å; K239-Q242 PolarHBondContact O-N 3.09Å; K239-Q243 WeakPolarHBondContact O-CG 3.37Å; K239-Q243 PolarHBondContact O-N 2.91Å; K239-Q243 VanDerWaalsContact O-N 3.16Å
240V97.8Very high96.1Very high4 Ų452.1 Ų52.12%0.02429%0.285CS..Hα-helixtrans-66-42.5177.8178.80000110.6A217 L220 K221 E236 Q242 Q243 M244A217-V240 HydrophobicContact CB-CG2 3.93Å; L220-V240 HydrophobicContact CB-CG1 4.13Å; L220-V240 HydrophobicContact CD2-CB 4.15Å; L220-V240 HydrophobicContact CD2-CG1 3.75Å; L220-V240 HydrophobicContact CG-CG1 4.03Å; K221-V240 HydrophobicContact CG-CG1 3.71Å; E236-V240 HydrophobicContact CG-CG2 4.13Å; E236-V240 PolarHBondContact O-N 2.87Å; V240-Q242 PolarHBondContact O-N 2.96Å; V240-Q243 WeakPolarHBondContact O-CB 3.3Å; V240-Q243 PolarHBondContact O-N 3Å; V240-M244 HydrophobicContact CG1-CG 3.99Å; V240-M244 WeakPolarHBondContact O-CB 3.26Å; V240-M244 VanDerWaalsContact O-CG 3.28Å; V240-M244 WeakPolarHBondContact O-CG 3.47Å; V240-M244 PolarHBondContact O-N 3.42Å
241G97.6Very high96.1Very high1 Ų152.1 Ų52.11%0.0129%0.285CS..Hα-helixtrans-55.7-41.117500000112.3V229 L237 M244 L245V229-G241 WeakPolarHBondContact CG2-O 3.5Å; L237-G241 WeakPolarHBondContact O-CA 3.5Å; L237-G241 PolarHBondContact O-N 2.91Å; G241-M244 PolarHBondContact O-N 3.09Å; G241-L245 PolarHBondContact O-N 3Å
242Q96.6Very high96.1Very high27 Ų2752 Ų5213%0.12628%0.284CS..Hα-helixtrans-61.5-44.2173.8-169.1-179.551.200112.7A238 K239 V240 M244 L245 Y253 H287A238-Q242 PolarHBondContact O-N 3.38Å; K239-Q242 WeakPolarHBondContact O-CB 3.47Å; K239-Q242 PolarHBondContact O-N 3.09Å; V240-Q242 PolarHBondContact O-N 2.96Å; Q242-M244 VanDerWaalsContact C-N 3.28Å; Q242-M244 PolarHBondContact O-N 2.82Å; Q242-L245 WeakPolarHBondContact O-CB 3.27Å; Q242-L245 PolarHBondContact O-N 3.36Å; Q242-Y253 HydrophobicContact CB-CD2 4.03Å; Q242-Y253 HydrophobicContact CB-CE2 3.78Å; Q242-Y253 HydrophobicContact CG-CD2 4.17Å; Q242-Y253 HydrophobicContact CG-CE2 4.23Å; Q242-H287 VanDerWaalsContact CD-CE1 3.49Å; Q242-H287 WeakPolarHBondContact CG-NE2 3.33Å; Q242-H287 PolarHBondContact NE2-CE1 3.03Å; Q242-H287 PolarHBondContact NE2-NE2 3.11Å; Q242-H287 VanDerWaalsContact NE2-NE2 3.19Å
243Q96.4Very high96.1Very high118 Ų11850.8 Ų50.855%0.55128%0.277SS*.Hα-helixtrans-67.1-30.3177.3-66.5169.4-1.100112.9K239 V240 L245K239-Q243 WeakPolarHBondContact O-CG 3.37Å; K239-Q243 PolarHBondContact O-N 2.91Å; K239-Q243 VanDerWaalsContact O-N 3.16Å; V240-Q243 WeakPolarHBondContact O-CB 3.3Å; V240-Q243 PolarHBondContact O-N 3Å; Q243-L245 PolarHBondContact O-N 3.15Å
244M97.8Very high96.3Very high17 Ų1749.3 Ų49.38%0.08427%0.265CS..THydrogen-bonded Turntrans-83.24.3179.7-67.6-55-67.100113.1L220 K221 L223 K225 F226 V240 G241 Q242L220-M244 HydrophobicContact CG-CG 4.44Å; L220-M244 WeakPolarHBondContact O-CE 3.4Å; K221-M244 HydrophobicContact CB-SD 4.43Å; K221-M244 HydrophobicContact CG-SD 4.45Å; L223-M244 WeakPolarHBondContact O-CE 3.48Å; K225-M244 CarbonylContact C-O 3.42Å; K225-M244 WeakPolarHBondContact CA-O 3.19Å; K225-M244 VanDerWaalsContact CB-O 3.24Å; K225-M244 WeakPolarHBondContact CB-O 3.36Å; K225-M244 HydrophobicContact CG-CE 4.23Å; F226-M244 HydrophobicContact CD2-CB 3.77Å; F226-M244 HydrophobicContact CE2-CB 3.89Å; F226-M244 PolarHBondContact N-O 2.92Å; V240-M244 HydrophobicContact CG1-CG 3.99Å; V240-M244 WeakPolarHBondContact O-CB 3.26Å; V240-M244 VanDerWaalsContact O-CG 3.28Å; V240-M244 WeakPolarHBondContact O-CG 3.47Å; V240-M244 PolarHBondContact O-N 3.42Å; G241-M244 PolarHBondContact O-N 3.09Å; Q242-M244 VanDerWaalsContact C-N 3.28Å; Q242-M244 PolarHBondContact O-N 2.82Å
245L98.1Very high96.6Very high0 Ų047.1 Ų47.10%024%0.241CC..BIsolated β-bridgetrans-70.5136.2170.3-166.572.7000110.2V229 G241 Q242 Q243 V252 Q292V229-L245 HydrophobicContact CB-CD1 4.32Å; V229-L245 HydrophobicContact CG2-CB 4.44Å; V229-L245 HydrophobicContact CG2-CD1 3.74Å; G241-L245 PolarHBondContact O-N 3Å; Q242-L245 WeakPolarHBondContact O-CB 3.27Å; Q242-L245 PolarHBondContact O-N 3.36Å; Q243-L245 PolarHBondContact O-N 3.15Å; L245-V252 WeakPolarHBondContact CD1-O 3.26Å; L245-Q292 HydrophobicContact CD2-CB 3.68Å; L245-Q292 HydrophobicContact CD2-CG 3.54Å; L245-Q292 HydrophobicContact CG-CG 4.16Å; L245-Q292 PolarHBondContact O-NE2 3Å
246R97.8Very high96.8Very high63 Ų6345.9 Ų45.924%0.23822%0.221CC..  trans-63.5135.6177.6-75174.7-176.9173.3-5.7110.8K225 F226 D227 Q248 S251 Q292K225-R246 HydrophobicContact CB-CB 4.31Å; K225-R246 HydrophobicContact CB-CG 3.41Å; K225-R246 VanDerWaalsContact CB-CG 3.41Å; K225-R246 PolarHBondContact O-NE 3.45Å; F226-R246 WeakPolarHBondContact O-CB 3.37Å; F226-R246 WeakPolarHBondContact O-CG 3.28Å; F226-R246 PolarHBondContact O-N 2.9Å; D227-R246 VanDerWaalsContact OD1-CD 3.31Å; D227-R246 WeakPolarHBondContact OD1-CD 3.48Å; D227-R246 IonicContact OD1-CZ 3.47Å; D227-R246 IonicContact OD1-NE 3.22Å; D227-R246 IonicContact OD1-NH1 2.76Å; D227-R246 PolarHBondContact OD1-NH1 2.93Å; D227-R246 IonicContact OD2-CZ 2.67Å; D227-R246 IonicContact OD2-NH1 2.82Å; D227-R246 PolarHBondContact OD2-NH1 3.25Å; R246-Q248 HydrophobicContact CB-CG 3.9Å; R246-Q248 VanDerWaalsContact CD-NE2 3.27Å; R246-Q248 PolarHBondContact O-N 2.78Å; R246-S251 WeakPolarHBondContact CB-OG 3.49Å; R246-S251 WeakPolarHBondContact O-CB 3.42Å; R246-S251 PolarHBondContact O-OG 2.93Å; R246-Q292 VanDerWaalsContact C-NE2 3.33Å; R246-Q292 WeakPolarHBondContact O-CG 3.46Å; R246-Q292 PolarHBondContact O-NE2 3.23Å
247D96.6Very high96.8Very high91 Ų9143 Ų4349%0.48721%0.211SC..SBendtrans-81.570.3177.4-50.5-47.3000110K225 N290 Q292K225-D247 IonicContact NZ-OD1 2.68Å; K225-D247 IonicContact NZ-OD2 3.38Å; K225-D247 PolarHBondContact NZ-OD2 3.49Å; D247-N290 CarbonylContact C-O 3.32Å; D247-N290 HydrophobicContact CB-CB 4.27Å; D247-Q292 PolarHBondContact OD1-NE2 2.88Å
248Q94.3Very high96.7Very high82 Ų8243 Ų4338%0.38321%0.212SC..SBendtrans-152.5157.1-178.467.1-179.9-5.300112D227 R246 G250 S251 N290 G291D227-Q248 PolarHBondContact OD1-NE2 3.02Å; R246-Q248 HydrophobicContact CB-CG 3.9Å; R246-Q248 VanDerWaalsContact CD-NE2 3.27Å; R246-Q248 PolarHBondContact O-N 2.78Å; Q248-G250 PolarHBondContact O-N 2.79Å; Q248-S251 VanDerWaalsContact CG-OG 3.26Å; Q248-S251 WeakPolarHBondContact CG-OG 3.2Å; Q248-S251 WeakPolarHBondContact O-CB 3.45Å; Q248-S251 PolarHBondContact O-N 3.33Å; Q248-S251 PolarHBondContact O-OG 2.99Å; Q248-N290 PolarHBondContact N-O 3.34Å; Q248-G291 CarbonylContact C-O 3.28Å; Q248-G291 CarbonylContact O-C 3.55Å; Q248-G291 VanDerWaalsContact O-O 3.08Å
249F93.6Very high96.6Very high194 Ų19444.2 Ų44.285%0.85122%0.218SC*.THydrogen-bonded Turntrans-57.7134.7173.6-175.2-99.1000111.8S251 G291F249-S251 VanDerWaalsContact C-N 3.31Å; F249-G291 WeakPolarHBondContact CA-O 3.49Å
250G92.2Very high96.6Very high25 Ų2539 Ų3926%0.25820%0.197SC..THydrogen-bonded Turntrans84.7-0.3-179.200000113.9R158 Q248R158-G250 PolarHBondContact NH1-O 2.82Å; R158-G250 PolarHBondContact NH2-O 3.31Å; Q248-G250 PolarHBondContact O-N 2.79Å
251S97.7Very high96.5Very high0 Ų039.5 Ų39.50%020%0.199CC..  trans-70.4137.1166-68.80000110.9D227 R246 Q248 F249 Q292 L293D227-S251 CarbonylContact O-C 3.55Å; D227-S251 WeakPolarHBondContact O-CA 3.21Å; R246-S251 WeakPolarHBondContact CB-OG 3.49Å; R246-S251 WeakPolarHBondContact O-CB 3.42Å; R246-S251 PolarHBondContact O-OG 2.93Å; Q248-S251 VanDerWaalsContact CG-OG 3.26Å; Q248-S251 WeakPolarHBondContact CG-OG 3.2Å; Q248-S251 WeakPolarHBondContact O-CB 3.45Å; Q248-S251 PolarHBondContact O-N 3.33Å; Q248-S251 PolarHBondContact O-OG 2.99Å; F249-S251 VanDerWaalsContact C-N 3.31Å; S251-Q292 WeakPolarHBondContact O-CA 3.39Å; S251-L293 PolarHBondContact O-N 2.92Å
252V98.3Very high96.5Very high2 Ų242.2 Ų42.21%0.01222%0.218CC..EExtended strand (participates in β ladder)trans-130.5123.2-175.3-176.10000111.6L152 D227 I228 V229 L245 L293L152-V252 HydrophobicContact CB-CG1 4.17Å; L152-V252 WeakPolarHBondContact O-CG2 3.35Å; D227-V252 PolarHBondContact O-N 3.22Å; I228-V252 CarbonylContact C-O 3.52Å; I228-V252 WeakPolarHBondContact CA-O 3.47Å; V229-V252 PolarHBondContact N-O 3.49Å; L245-V252 WeakPolarHBondContact CD1-O 3.26Å; V252-L293 WeakPolarHBondContact CA-O 3.38Å; V252-L293 HydrophobicContact CG1-CD2 4.43Å; V252-L293 HydrophobicContact CG2-CB 4.22Å; V252-L293 HydrophobicContact CG2-CD2 4.37Å
253Y98.5Very high96.5Very high12 Ų1241.3 Ų41.35%0.04721%0.214CC..EExtended strand (participates in β ladder)trans-100.9122.7162.2179.6-87.4000109.2V229 N231 Q242 L293 Y294 W295V229-Y253 HydrophobicContact CB-CD2 3.8Å; V229-Y253 HydrophobicContact CB-CE2 4.46Å; V229-Y253 HydrophobicContact CG1-CD2 3.55Å; V229-Y253 HydrophobicContact CG1-CE2 3.7Å; N231-Y253 HydrophobicContact CB-CE2 4.22Å; Q242-Y253 HydrophobicContact CB-CD2 4.03Å; Q242-Y253 HydrophobicContact CB-CE2 3.78Å; Q242-Y253 HydrophobicContact CG-CD2 4.17Å; Q242-Y253 HydrophobicContact CG-CE2 4.23Å; Y253-L293 PolarHBondContact N-O 3.5Å; Y253-Y294 AromaticContact CD1-CD2 3.39Å; Y253-Y294 HydrophobicContact CD1-CD2 3.39Å; Y253-Y294 AromaticContact CD1-CE2 3.34Å; Y253-Y294 HydrophobicContact CD1-CE2 3.34Å; Y253-Y294 HydrophobicContact CD1-CG 4.44Å; Y253-Y294 HydrophobicContact CE1-CD2 4Å; Y253-Y294 AromaticContact CE1-CE2 3.42Å; Y253-Y294 HydrophobicContact CE1-CE2 3.42Å; Y253-Y294 VanDerWaalsContact CE1-CE2 3.42Å; Y253-Y294 HydrophobicContact CG-CD2 4.21Å; Y253-Y294 HydrophobicContact CG-CE2 4.43Å; Y253-Y294 CarbonylContact O-C 3.59Å; Y253-Y294 WeakPolarHBondContact O-CA 3.21Å; Y253-W295 PolarHBondContact O-N 3.3Å
254A98.4Very high96.6Very high1 Ų135.7 Ų35.71%0.00819%0.188CC..EExtended strand (participates in β ladder)trans-128.4131.8174.800000111.2S148 V229 N231 W295S148-A254 WeakPolarHBondContact OG-CB 3.23Å; V229-A254 PolarHBondContact O-N 2.87Å; N231-A254 PolarHBondContact N-O 3.47Å; A254-W295 WeakPolarHBondContact CA-O 3.37Å; A254-W295 HydrophobicContact CB-CB 4.44Å
255S98.1Very high96.5Very high3 Ų337.3 Ų37.32%0.02120%0.197CC..EExtended strand (participates in β ladder)trans-120131.1179.9-173.30000111.8N231 V257 T258 W295 S297N231-S255 PolarHBondContact ND2-OG 2.86Å; N231-S255 VanDerWaalsContact ND2-OG 3.08Å; N231-S255 WeakPolarHBondContact O-CA 3.29Å; S255-V257 VanDerWaalsContact C-N 3.34Å; S255-V257 PolarHBondContact OG-N 3.31Å; S255-V257 VanDerWaalsContact OG-N 3.15Å; S255-V257 PolarHBondContact OG-O 2.99Å; S255-T258 VanDerWaalsContact O-CG2 3.26Å; S255-T258 WeakPolarHBondContact O-CG2 3.32Å; S255-W295 PolarHBondContact N-O 3.5Å; S255-S297 PolarHBondContact O-N 3.26Å
256L96.9Very high96.4Very high34 Ų3444.2 Ų44.218%0.17823%0.229CC..SBendtrans-87.5-11.4167.2-79.170.9000111.6V173 L230 N231 L232 T258V173-L256 HydrophobicContact CG1-CD2 4.07Å; V173-L256 HydrophobicContact CG2-CD2 4.2Å; L230-L256 HydrophobicContact CD1-CD1 3.64Å; N231-L256 PolarHBondContact O-N 2.86Å; L232-L256 HydrophobicContact CD2-CB 4.25Å; L232-L256 HydrophobicContact CD2-CD1 3.74Å; L232-L256 HydrophobicContact CD2-CD2 3.64Å; L232-L256 HydrophobicContact CD2-CG 4.09Å; L256-T258 PolarHBondContact O-N 2.94Å
257V95.1Very high96.4Very high57 Ų5744.8 Ų44.835%0.34523%0.234SC..  trans-86.795.8168.7-173.50000106.9S255S255-V257 VanDerWaalsContact C-N 3.34Å; S255-V257 PolarHBondContact OG-N 3.31Å; S255-V257 VanDerWaalsContact OG-N 3.15Å; S255-V257 PolarHBondContact OG-O 2.99Å
258T95.2Very high96.4Very high11 Ų1141.9 Ų41.97%0.06723%0.226CC..  trans-120.6139.3-175.165.70000110.2S255 L256 W296 Y298S255-T258 VanDerWaalsContact O-CG2 3.26Å; S255-T258 WeakPolarHBondContact O-CG2 3.32Å; L256-T258 PolarHBondContact O-N 2.94Å; T258-W296 HydrophobicContact CG2-CB 3.57Å; T258-W296 HydrophobicContact CG2-CD2 4.24Å; T258-W296 HydrophobicContact CG2-CG 3.7Å; T258-Y298 VanDerWaalsContact CB-OH 3.25Å; T258-Y298 WeakPolarHBondContact CB-OH 3.22Å; T258-Y298 HydrophobicContact CG2-CE1 4.27Å; T258-Y298 HydrophobicContact CG2-CE2 4.38Å; T258-Y298 WeakPolarHBondContact OG1-CE1 3.5Å; T258-Y298 VanDerWaalsContact OG1-CZ 3.25Å; T258-Y298 PolarHBondContact OG1-OH 3.45Å
259P95.4Very high96.5Very high38 Ų3840.5 Ų40.525%0.24722%0.221CC..SBendtrans-82.7-18.2-175.934.3-36.4000113M261 S262 D263 T279 W296P259-M261 PolarHBondContact O-N 3.46Å; P259-M261 VanDerWaalsContact O-N 3.17Å; P259-S262 CarbonylContact O-C 3.59Å; P259-S262 PolarHBondContact O-N 3.16Å; P259-D263 PolarHBondContact O-N 2.75Å; P259-T279 HydrophobicContact CG-CG2 4.48Å; P259-W296 HydrophobicContact CG-CH2 3.31Å; P259-W296 HydrophobicContact CG-CZ2 3.4Å; P259-W296 VanDerWaalsContact CG-CZ2 3.4Å; P259-W296 HydrophobicContact CG-CZ3 4.05Å
260L97Very high96.7Very high39 Ų3937.3 Ų37.320%0.20421%0.212CC..Hα-helixtrans-40.6-59.7-170.9-176.960.3000115.2I55 T264 L273 S276 W296 Y298I55-L260 HydrophobicContact CD1-CD1 4.42Å; I55-L260 HydrophobicContact CD1-CG 4.07Å; L260-T264 PolarHBondContact O-N 3.32Å; L260-T264 VanDerWaalsContact O-N 3.13Å; L260-T264 PolarHBondContact O-OG1 2.86Å; L260-T264 VanDerWaalsContact O-OG1 3.14Å; L260-L273 HydrophobicContact CD1-CD2 3.84Å; L260-S276 VanDerWaalsContact CA-OG 3.26Å; L260-S276 WeakPolarHBondContact CA-OG 3.23Å; L260-W296 HydrophobicContact CB-CE3 4.33Å; L260-W296 HydrophobicContact CB-CZ3 4.04Å; L260-Y298 WeakPolarHBondContact CB-OH 3.4Å; L260-Y298 WeakPolarHBondContact CD2-OH 3.46Å
261M95.8Very high97Very high14 Ų1441.3 Ų41.37%0.06923%0.226CC..Hα-helixtrans-67.2-44.1-175.8-60.9-70.5172.700110.8Y51 I55 F56 P259 D263 T264 D265Y51-M261 HydrophobicContact CD1-CB 4.18Å; Y51-M261 HydrophobicContact CD1-CG 4.4Å; Y51-M261 HydrophobicContact CD2-CB 4.03Å; Y51-M261 HydrophobicContact CE1-CB 3.65Å; Y51-M261 HydrophobicContact CE1-CG 3.64Å; Y51-M261 HydrophobicContact CE2-CB 3.49Å; Y51-M261 VanDerWaalsContact CE2-CB 3.49Å; Y51-M261 HydrophobicContact CE2-CG 4.34Å; Y51-M261 HydrophobicContact CG-CB 4.36Å; Y51-M261 WeakPolarHBondContact OH-CB 3.48Å; I55-M261 HydrophobicContact CB-SD 4.22Å; I55-M261 HydrophobicContact CD1-CE 4.39Å; I55-M261 HydrophobicContact CD1-SD 3.66Å; I55-M261 HydrophobicContact CG1-SD 4.48Å; I55-M261 HydrophobicContact CG2-SD 4.45Å; F56-M261 HydrophobicContact CE1-CE 4.35Å; F56-M261 HydrophobicContact CE2-CE 3.89Å; F56-M261 HydrophobicContact CE2-SD 3.85Å; F56-M261 HydrophobicContact CZ-CE 3.53Å; F56-M261 HydrophobicContact CZ-SD 4.12Å; P259-M261 PolarHBondContact O-N 3.46Å; P259-M261 VanDerWaalsContact O-N 3.17Å; M261-D263 PolarHBondContact O-N 2.78Å; M261-T264 PolarHBondContact O-N 3.09Å; M261-T264 PolarHBondContact O-OG1 3.13Å; M261-D265 PolarHBondContact O-N 2.93Å
262S95.9Very high97Very high58 Ų5841.3 Ų41.341%0.40623%0.226SC..Hα-helixtrans-63.6-42.5178.9-66.30000112.4Y51 P259 T264 D265 E266Y51-S262 WeakPolarHBondContact CE2-OG 3.39Å; P259-S262 CarbonylContact O-C 3.59Å; P259-S262 PolarHBondContact O-N 3.16Å; S262-T264 VanDerWaalsContact C-N 3.33Å; S262-T264 PolarHBondContact O-N 3.27Å; S262-D265 PolarHBondContact O-N 2.93Å; S262-E266 VanDerWaalsContact O-CB 3.27Å; S262-E266 WeakPolarHBondContact O-CB 3.48Å; S262-E266 PolarHBondContact O-N 2.88Å
263D97.9Very high97Very high9 Ų945 Ų455%0.04825%0.246CC..Hα-helixtrans-62.2-41.5177.2-83-18.4000111P259 M261 H267 G272 K275 S276P259-D263 PolarHBondContact O-N 2.75Å; M261-D263 PolarHBondContact O-N 2.78Å; D263-H267 WeakPolarHBondContact O-CB 3.26Å; D263-H267 PolarHBondContact O-N 3.06Å; D263-H267 PolarHBondContact O-ND1 3.26Å; D263-G272 WeakPolarHBondContact O-CA 3.2Å; D263-K275 HydrophobicContact CB-CD 4.47Å; D263-K275 WeakPolarHBondContact OD1-CD 3.38Å; D263-K275 VanDerWaalsContact OD1-CE 3.26Å; D263-K275 WeakPolarHBondContact OD1-CE 3.47Å; D263-K275 IonicContact OD1-NZ 2.85Å; D263-K275 PolarHBondContact OD1-NZ 2.89Å; D263-S276 WeakPolarHBondContact CB-OG 3.49Å; D263-S276 PolarHBondContact OD2-OG 3.49Å
264T97.8Very high97Very high0 Ų049.5 Ų49.50%027%0.268CS..Hα-helixtrans-71.9-33.2176.553.90000114.1T54 I55 L260 M261 S262 E266 G268 L273T54-T264 WeakPolarHBondContact CG2-O 3.43Å; T54-T264 PolarHBondContact OG1-O 3.36Å; I55-T264 HydrophobicContact CD1-CG2 3.77Å; I55-T264 VanDerWaalsContact CD1-OG1 3.27Å; I55-T264 WeakPolarHBondContact CD1-OG1 3.12Å; I55-T264 HydrophobicContact CG1-CG2 3.95Å; I55-T264 WeakPolarHBondContact CG1-OG1 3.19Å; L260-T264 PolarHBondContact O-N 3.32Å; L260-T264 VanDerWaalsContact O-N 3.13Å; L260-T264 PolarHBondContact O-OG1 2.86Å; L260-T264 VanDerWaalsContact O-OG1 3.14Å; M261-T264 PolarHBondContact O-N 3.09Å; M261-T264 PolarHBondContact O-OG1 3.13Å; S262-T264 VanDerWaalsContact C-N 3.33Å; S262-T264 PolarHBondContact O-N 3.27Å; T264-E266 VanDerWaalsContact C-N 3.35Å; T264-G268 CarbonylContact O-C 3.55Å; T264-G268 VanDerWaalsContact O-C 3.24Å; T264-G268 WeakPolarHBondContact O-CA 3.31Å; T264-G268 PolarHBondContact O-N 2.91Å; T264-L273 HydrophobicContact CG2-CD2 4.22Å; T264-L273 HydrophobicContact CG2-CG 4.06Å
265D96.1Very high97Very high51 Ų5153.2 Ų53.227%0.27328%0.284SS..Hα-helixtrans-70.4-35.6175.1-65.6-26.4000111Y51 G52 D53 T54 M261 S262Y51-D265 WeakPolarHBondContact CA-OD2 3.42Å; G52-D265 PolarHBondContact N-OD2 2.66Å; D53-D265 PolarHBondContact N-OD1 3.48Å; T54-D265 PolarHBondContact N-OD1 3.46Å; T54-D265 VanDerWaalsContact N-OD1 3.11Å; M261-D265 PolarHBondContact O-N 2.93Å; S262-D265 PolarHBondContact O-N 2.93Å
266E96.7Very high97Very high144 Ų14453.1 Ų53.167%0.67328%0.284SS*.Hα-helixtrans-81.9-41.2-178.1-175.6177.5-162.900113.3S262 T264S262-E266 VanDerWaalsContact O-CB 3.27Å; S262-E266 WeakPolarHBondContact O-CB 3.48Å; S262-E266 PolarHBondContact O-N 2.88Å; T264-E266 VanDerWaalsContact C-N 3.35Å
267H97.1Very high97Very high75 Ų7553.6 Ų53.635%0.34730%0.297SS..Hα-helixtrans-107.91.8-172.7-5476.2000113.1D263 L271 K275D263-H267 WeakPolarHBondContact O-CB 3.26Å; D263-H267 PolarHBondContact O-N 3.06Å; D263-H267 PolarHBondContact O-ND1 3.26Å; H267-L271 HydrophobicContact CB-CB 3.99Å; H267-K275 PolarHBondContact CE1-NZ 2.74Å
268G96.8Very high97.2Very high30 Ų3057.2 Ų57.231%0.30931%0.314SS..  trans75.6171.2-168.900000112.7T264 I270 G272T264-G268 CarbonylContact O-C 3.55Å; T264-G268 VanDerWaalsContact O-C 3.24Å; T264-G268 WeakPolarHBondContact O-CA 3.31Å; T264-G268 PolarHBondContact O-N 2.91Å; G268-I270 PolarHBondContact O-N 2.88Å; G268-G272 WeakPolarHBondContact O-CA 3.44Å; G268-G272 PolarHBondContact O-N 3.3Å
269L96.5Very high97.3Very high53 Ų5359.1 Ų59.128%0.27733%0.326SS..Hα-helixtrans-58.7-53.8-169.1-17667.2000113.4T54 I55 T58 L273T54-L269 HydrophobicContact CG2-CB 3.92Å; T54-L269 HydrophobicContact CG2-CD1 4.46Å; I55-L269 HydrophobicContact CG1-CD1 4.01Å; T58-L269 HydrophobicContact CG2-CD2 3.72Å; L269-L273 HydrophobicContact CD1-CD1 3.81Å; L269-L273 HydrophobicContact CD1-CG 4.22Å; L269-L273 HydrophobicContact CG-CD1 3.97Å; L269-L273 VanDerWaalsContact O-CB 3.27Å; L269-L273 WeakPolarHBondContact O-CB 3.47Å; L269-L273 WeakPolarHBondContact O-CG 3.44Å; L269-L273 PolarHBondContact O-N 3.25Å
270I97.8Very high97.4Very high128 Ų12860 Ų6066%0.65633%0.325SS*.Hα-helixtrans-68.3-54.9-171.7-58.6175.5000110.8G268 G272 L273 M274G268-I270 PolarHBondContact O-N 2.88Å; I270-G272 VanDerWaalsContact C-N 3.34Å; I270-G272 PolarHBondContact O-N 3.08Å; I270-L273 PolarHBondContact O-N 2.88Å; I270-M274 HydrophobicContact CG2-CE 4.19Å; I270-M274 WeakPolarHBondContact O-CG 3.36Å; I270-M274 PolarHBondContact O-N 2.88Å
271L98.1Very high97.5Very high108 Ų10859.2 Ų59.257%0.56533%0.327SS*.Hα-helixtrans-66-38.1-178.2-66.7168.9000111.6H267 M274 K275H267-L271 HydrophobicContact CB-CB 3.99Å; L271-M274 HydrophobicContact CD2-CE 3.51Å; L271-M274 HydrophobicContact CG-CE 4.39Å; L271-M274 PolarHBondContact O-N 2.83Å; L271-K275 WeakPolarHBondContact O-CB 3.35Å; L271-K275 PolarHBondContact O-N 3.1Å
272G98.2Very high97.6Very high0 Ų064.8 Ų64.80%035%0.353CS..Hα-helixtrans-63.7-44.5175.700000112.9D263 G268 I270 M274 K275 S276D263-G272 WeakPolarHBondContact O-CA 3.2Å; G268-G272 WeakPolarHBondContact O-CA 3.44Å; G268-G272 PolarHBondContact O-N 3.3Å; I270-G272 VanDerWaalsContact C-N 3.34Å; I270-G272 PolarHBondContact O-N 3.08Å; G272-M274 PolarHBondContact O-N 3.31Å; G272-K275 PolarHBondContact O-N 2.85Å; G272-S276 WeakPolarHBondContact O-CB 3.35Å; G272-S276 PolarHBondContact O-N 2.86Å; G272-S276 PolarHBondContact O-OG 2.85Å
273L98.1Very high97.6Very high81 Ų8163.7 Ų63.742%0.42434%0.341SS..Hα-helixtrans-61.9-42.1174.5-74.7174.4000111.8L260 T264 L269 I270 G277L260-L273 HydrophobicContact CD1-CD2 3.84Å; T264-L273 HydrophobicContact CG2-CD2 4.22Å; T264-L273 HydrophobicContact CG2-CG 4.06Å; L269-L273 HydrophobicContact CD1-CD1 3.81Å; L269-L273 HydrophobicContact CD1-CG 4.22Å; L269-L273 HydrophobicContact CG-CD1 3.97Å; L269-L273 VanDerWaalsContact O-CB 3.27Å; L269-L273 WeakPolarHBondContact O-CB 3.47Å; L269-L273 WeakPolarHBondContact O-CG 3.44Å; L269-L273 PolarHBondContact O-N 3.25Å; I270-L273 PolarHBondContact O-N 2.88Å; L273-G277 PolarHBondContact O-N 3.25Å
274M98.3Very high97.6Very high105 Ų10567.3 Ų67.352%0.51736%0.357SS..Hα-helixtrans-63.1-48.7176.5-71.7-167.8-5800111.8I270 L271 G272 S276 G277 L278I270-M274 HydrophobicContact CG2-CE 4.19Å; I270-M274 WeakPolarHBondContact O-CG 3.36Å; I270-M274 PolarHBondContact O-N 2.88Å; L271-M274 HydrophobicContact CD2-CE 3.51Å; L271-M274 HydrophobicContact CG-CE 4.39Å; L271-M274 PolarHBondContact O-N 2.83Å; G272-M274 PolarHBondContact O-N 3.31Å; M274-S276 PolarHBondContact O-N 2.98Å; M274-G277 PolarHBondContact O-N 3.46Å; M274-L278 WeakPolarHBondContact O-CG 3.32Å; M274-L278 PolarHBondContact O-N 3.44Å
275K98.3Very high97.6Very high79 Ų7972.6 Ų72.634%0.34338%0.384SS..Hα-helixtrans-59.5-46.1178.5-178.8-176.7172.8-158.50112.1D263 H267 L271 G272 L278 T279D263-K275 HydrophobicContact CB-CD 4.47Å; D263-K275 WeakPolarHBondContact OD1-CD 3.38Å; D263-K275 VanDerWaalsContact OD1-CE 3.26Å; D263-K275 WeakPolarHBondContact OD1-CE 3.47Å; D263-K275 IonicContact OD1-NZ 2.85Å; D263-K275 PolarHBondContact OD1-NZ 2.89Å; H267-K275 PolarHBondContact CE1-NZ 2.74Å; L271-K275 WeakPolarHBondContact O-CB 3.35Å; L271-K275 PolarHBondContact O-N 3.1Å; G272-K275 PolarHBondContact O-N 2.85Å; K275-L278 PolarHBondContact O-N 3.28Å; K275-T279 WeakPolarHBondContact O-CB 3.47Å; K275-T279 PolarHBondContact O-N 3.18Å; K275-T279 PolarHBondContact O-OG1 2.81Å
276S98Very high97.6Very high2 Ų275 Ų751%0.01439%0.392CS..Hα-helixtrans-65.7-40176.5-79.10000112.6L260 D263 G272 M274 T279 F280 W296L260-S276 VanDerWaalsContact CA-OG 3.26Å; L260-S276 WeakPolarHBondContact CA-OG 3.23Å; D263-S276 WeakPolarHBondContact CB-OG 3.49Å; D263-S276 PolarHBondContact OD2-OG 3.49Å; G272-S276 WeakPolarHBondContact O-CB 3.35Å; G272-S276 PolarHBondContact O-N 2.86Å; G272-S276 PolarHBondContact O-OG 2.85Å; M274-S276 PolarHBondContact O-N 2.98Å; S276-T279 PolarHBondContact O-N 2.78Å; S276-F280 WeakPolarHBondContact O-CB 3.48Å; S276-F280 PolarHBondContact O-N 2.88Å; S276-W296 VanDerWaalsContact O-CH2 3.24Å; S276-W296 WeakPolarHBondContact O-CH2 3.46Å
277G98Very high97.7Very high44 Ų4468.2 Ų68.245%0.45436%0.361SS..Hα-helixtrans-61-44.2175.700000112.4L273 M274 F280 G281L273-G277 PolarHBondContact O-N 3.25Å; M274-G277 PolarHBondContact O-N 3.46Å; G277-F280 PolarHBondContact O-N 2.96Å; G277-G281 PolarHBondContact O-N 3.28Å
278L98.1Very high97.7Very high133 Ų13367 Ų6770%0.69636%0.364SS*.Hα-helixtrans-62.2-46.8174.2-70.2171.1000111.6M274 K275 F280 G281 E282M274-L278 WeakPolarHBondContact O-CG 3.32Å; M274-L278 PolarHBondContact O-N 3.44Å; K275-L278 PolarHBondContact O-N 3.28Å; L278-F280 PolarHBondContact O-N 3.14Å; L278-G281 PolarHBondContact O-N 3.32Å; L278-E282 WeakPolarHBondContact O-CB 3.19Å; L278-E282 PolarHBondContact O-N 2.99Å
279T97.7Very high97.7Very high51 Ų5171.8 Ų71.831%0.31338%0.381SS..Hα-helixtrans-60.8-45.2178.7-56.40000111.8P259 K275 S276 Q283 W296P259-T279 HydrophobicContact CG-CG2 4.48Å; K275-T279 WeakPolarHBondContact O-CB 3.47Å; K275-T279 PolarHBondContact O-N 3.18Å; K275-T279 PolarHBondContact O-OG1 2.81Å; S276-T279 PolarHBondContact O-N 2.78Å; T279-Q283 WeakPolarHBondContact O-CG 3.46Å; T279-Q283 PolarHBondContact O-N 3.36Å; T279-W296 HydrophobicContact CG2-CZ2 4.16Å
280F97.9Very high97.6Very high55 Ų5572.4 Ų72.424%0.24138%0.384CS..Hα-helixtrans-65.3-46.1176.6-176.8-92.7000111.2S276 G277 L278 Q283 F284 Y294 W295 W296S276-F280 WeakPolarHBondContact O-CB 3.48Å; S276-F280 PolarHBondContact O-N 2.88Å; G277-F280 PolarHBondContact O-N 2.96Å; L278-F280 PolarHBondContact O-N 3.14Å; F280-Q283 PolarHBondContact O-N 3.39Å; F280-F284 HydrophobicContact CD1-CB 4.31Å; F280-F284 HydrophobicContact CE1-CB 4.08Å; F280-F284 HydrophobicContact CE1-CD2 4.08Å; F280-F284 HydrophobicContact CE1-CG 4.27Å; F280-F284 HydrophobicContact CZ-CD2 4.23Å; F280-F284 WeakPolarHBondContact O-CB 3.38Å; F280-F284 PolarHBondContact O-N 3.18Å; F280-Y294 HydrophobicContact CD2-CD1 4.11Å; F280-Y294 AromaticContact CD2-CE1 3.9Å; F280-Y294 HydrophobicContact CD2-CE1 3.9Å; F280-Y294 AromaticContact CE2-CD1 3.9Å; F280-Y294 HydrophobicContact CE2-CD1 3.9Å; F280-Y294 HydrophobicContact CE2-CE1 4.07Å; F280-W295 HydrophobicContact CZ-CE3 4.45Å; F280-W296 HydrophobicContact CB-CH2 3.81Å; F280-W296 HydrophobicContact CB-CZ2 3.83Å; F280-W296 HydrophobicContact CB-CZ3 4.19Å; F280-W296 HydrophobicContact CD2-CB 4.45Å; F280-W296 AromaticContact CD2-CD1 3.99Å; F280-W296 AromaticContact CD2-CD2 3.66Å; F280-W296 HydrophobicContact CD2-CD2 3.66Å; F280-W296 AromaticContact CD2-CE2 3.74Å; F280-W296 HydrophobicContact CD2-CE3 4.11Å; F280-W296 AromaticContact CD2-CG 3.82Å; F280-W296 HydrophobicContact CD2-CG 3.82Å; F280-W296 HydrophobicContact CD2-CZ2 4.24Å; F280-W296 AromaticContact CD2-NE1 3.96Å; F280-W296 HydrophobicContact CE2-CB 4.35Å; F280-W296 HydrophobicContact CE2-CD2 4.41Å; F280-W296 HydrophobicContact CE2-CG 4.12Å
281G98Very high97.6Very high24 Ų2467.9 Ų67.925%0.24737%0.369CS..Hα-helixtrans-61-44.7-178.700000113.1G277 L278 Q283 F284 I285G277-G281 PolarHBondContact O-N 3.28Å; L278-G281 PolarHBondContact O-N 3.32Å; G281-Q283 PolarHBondContact O-N 3.28Å; G281-F284 PolarHBondContact O-N 2.93Å; G281-I285 WeakPolarHBondContact O-CB 3.15Å; G281-I285 VanDerWaalsContact O-CG1 3.3Å; G281-I285 WeakPolarHBondContact O-CG1 3.49Å; G281-I285 PolarHBondContact O-N 2.88Å
282E97.6Very high97.6Very high130 Ų13063.3 Ų63.361%0.60735%0.345SS*.Hα-helixtrans-58.1-49.8175.7-174.9-168.2149.800111.2L278 K286L278-E282 WeakPolarHBondContact O-CB 3.19Å; L278-E282 PolarHBondContact O-N 2.99Å; E282-K286 WeakPolarHBondContact O-CB 3.06Å; E282-K286 PolarHBondContact O-N 3.19Å
283Q97.2Very high97.5Very high35 Ų3565.8 Ų65.816%0.16436%0.358CS..Hα-helixtrans-65.7-43.5178.9-65.8-63.3-25.900111.2T279 F280 G281 I285 K286 H287 Y294T279-Q283 WeakPolarHBondContact O-CG 3.46Å; T279-Q283 PolarHBondContact O-N 3.36Å; F280-Q283 PolarHBondContact O-N 3.39Å; G281-Q283 PolarHBondContact O-N 3.28Å; Q283-I285 PolarHBondContact O-N 3.29Å; Q283-K286 PolarHBondContact O-N 2.93Å; Q283-H287 PolarHBondContact O-N 2.68Å; Q283-H287 PolarHBondContact O-ND1 3.08Å; Q283-Y294 HydrophobicContact CB-CD1 3.74Å; Q283-Y294 HydrophobicContact CB-CD2 3.95Å; Q283-Y294 HydrophobicContact CB-CE1 3.51Å; Q283-Y294 HydrophobicContact CB-CE2 3.72Å; Q283-Y294 HydrophobicContact CB-CG 3.96Å; Q283-Y294 VanDerWaalsContact CB-CZ 3.5Å; Q283-Y294 HydrophobicContact CG-CE1 4.25Å; Q283-Y294 HydrophobicContact CG-CE2 4.15Å
284F97.6Very high97.6Very high86 Ų8662.8 Ų62.838%0.37734%0.341SS..Hα-helixtrans-57.6-49.7178.5-178.6-92.7000111.8F280 G281 K286 H287 A288 L293F280-F284 HydrophobicContact CD1-CB 4.31Å; F280-F284 HydrophobicContact CE1-CB 4.08Å; F280-F284 HydrophobicContact CE1-CD2 4.08Å; F280-F284 HydrophobicContact CE1-CG 4.27Å; F280-F284 HydrophobicContact CZ-CD2 4.23Å; F280-F284 WeakPolarHBondContact O-CB 3.38Å; F280-F284 PolarHBondContact O-N 3.18Å; G281-F284 PolarHBondContact O-N 2.93Å; F284-K286 PolarHBondContact O-N 2.94Å; F284-H287 PolarHBondContact O-N 3.21Å; F284-A288 VanDerWaalsContact O-CB 3.31Å; F284-A288 WeakPolarHBondContact O-CB 3.36Å; F284-A288 PolarHBondContact O-N 3.21Å; F284-L293 HydrophobicContact CE2-CD1 4.19Å
285I98Very high97.5Very high111 Ų11162.6 Ų62.657%0.56934%0.335SS*.Hα-helixtrans-61.7-46.7178.3-68166.6000110.6G281 Q283 H287 A288 I289G281-I285 WeakPolarHBondContact O-CB 3.15Å; G281-I285 VanDerWaalsContact O-CG1 3.3Å; G281-I285 WeakPolarHBondContact O-CG1 3.49Å; G281-I285 PolarHBondContact O-N 2.88Å; Q283-I285 PolarHBondContact O-N 3.29Å; I285-H287 PolarHBondContact O-N 3.4Å; I285-A288 PolarHBondContact O-N 3.04Å; I285-I289 WeakPolarHBondContact O-CG2 3.46Å; I285-I289 PolarHBondContact O-N 3.04Å; I285-I289 VanDerWaalsContact O-N 3.11Å
286K96.7Very high97.5Very high100 Ų10059.8 Ų59.844%0.43532%0.322SS..Hα-helixtrans-57.5-32.2178.3-180-176.2173.9-172.40113.4E282 Q283 F284 I289 N290E282-K286 WeakPolarHBondContact O-CB 3.06Å; E282-K286 PolarHBondContact O-N 3.19Å; Q283-K286 PolarHBondContact O-N 2.93Å; F284-K286 PolarHBondContact O-N 2.94Å; K286-I289 WeakPolarHBondContact O-CG1 3.33Å; K286-N290 PolarHBondContact O-ND2 3Å
287H97.7Very high97.4Very high3 Ų359.8 Ų59.81%0.01432%0.322CS..Hα-helixtrans-85.5-39.6177.7-7066.6000111.1Q242 Q283 F284 I285 I289 N290 G291 Q292 Y294Q242-H287 VanDerWaalsContact CD-CE1 3.49Å; Q242-H287 WeakPolarHBondContact CG-NE2 3.33Å; Q242-H287 PolarHBondContact NE2-CE1 3.03Å; Q242-H287 PolarHBondContact NE2-NE2 3.11Å; Q242-H287 VanDerWaalsContact NE2-NE2 3.19Å; Q283-H287 PolarHBondContact O-N 2.68Å; Q283-H287 PolarHBondContact O-ND1 3.08Å; F284-H287 PolarHBondContact O-N 3.21Å; I285-H287 PolarHBondContact O-N 3.4Å; H287-I289 VanDerWaalsContact C-N 3.28Å; H287-I289 PolarHBondContact O-N 2.81Å; H287-N290 CarbonylContact O-C 3.58Å; H287-N290 WeakPolarHBondContact O-CA 3.2Å; H287-N290 PolarHBondContact O-N 3.3Å; H287-G291 PolarHBondContact O-N 3.26Å; H287-Q292 CarbonylContact C-O 3.6Å; H287-Q292 VanDerWaalsContact C-O 3.26Å; H287-Q292 HydrophobicContact CB-CB 3.79Å; H287-Q292 PolarHBondContact CD2-OE1 3.15Å; H287-Q292 WeakPolarHBondContact O-CB 3.36Å; H287-Q292 PolarHBondContact O-N 2.99Å; H287-Y294 AromaticContact CE1-CD2 3.72Å; H287-Y294 AromaticContact ND1-CD2 3.84Å; H287-Y294 AromaticContact NE2-CD2 3.86Å
288A96.9Very high97.2Very high50 Ų5060.9 Ų60.941%0.41331%0.313SS..Hα-helixtrans-59.3-37.8-179.900000112.5F284 I285 N290 G291 Q292F284-A288 VanDerWaalsContact O-CB 3.31Å; F284-A288 WeakPolarHBondContact O-CB 3.36Å; F284-A288 PolarHBondContact O-N 3.21Å; I285-A288 PolarHBondContact O-N 3.04Å; A288-N290 PolarHBondContact O-N 3.49Å; A288-G291 PolarHBondContact O-N 3.27Å; A288-Q292 PolarHBondContact N-O 3.33Å
289I96.5Very high97Very high129 Ų12955.5 Ų55.566%0.66229%0.288SS*.THydrogen-bonded Turntrans-60.5-24.3174.859.5168.3000113.3I285 K286 H287I285-I289 WeakPolarHBondContact O-CG2 3.46Å; I285-I289 PolarHBondContact O-N 3.04Å; I285-I289 VanDerWaalsContact O-N 3.11Å; K286-I289 WeakPolarHBondContact O-CG1 3.33Å; H287-I289 VanDerWaalsContact C-N 3.28Å; H287-I289 PolarHBondContact O-N 2.81Å
290N95.8Very high96.8Very high66 Ų6657 Ų5735%0.35329%0.294SS..THydrogen-bonded Turntrans-99.511.6177.4-63-31.7000112.4D247 Q248 K286 H287 A288 Q292D247-N290 CarbonylContact C-O 3.32Å; D247-N290 HydrophobicContact CB-CB 4.27Å; Q248-N290 PolarHBondContact N-O 3.34Å; K286-N290 PolarHBondContact O-ND2 3Å; H287-N290 CarbonylContact O-C 3.58Å; H287-N290 WeakPolarHBondContact O-CA 3.2Å; H287-N290 PolarHBondContact O-N 3.3Å; A288-N290 PolarHBondContact O-N 3.49Å; N290-Q292 HydrophobicContact CB-CG 4.13Å; N290-Q292 PolarHBondContact O-N 3.33Å
291G96.3Very high96.7Very high33 Ų3354.6 Ų54.634%0.3428%0.284SS..THydrogen-bonded Turntrans70.610.4-175.300000114.5Q248 F249 H287 A288Q248-G291 CarbonylContact C-O 3.28Å; Q248-G291 CarbonylContact O-C 3.55Å; Q248-G291 VanDerWaalsContact O-O 3.08Å; F249-G291 WeakPolarHBondContact CA-O 3.49Å; H287-G291 PolarHBondContact O-N 3.26Å; A288-G291 PolarHBondContact O-N 3.27Å
292Q97.9Very high96.7Very high13 Ų1355.8 Ų55.86%0.06128%0.284CS..  trans-92.2148.7-177-64.1160.4-6.400111L245 R246 D247 S251 H287 A288 N290L245-Q292 HydrophobicContact CD2-CB 3.68Å; L245-Q292 HydrophobicContact CD2-CG 3.54Å; L245-Q292 HydrophobicContact CG-CG 4.16Å; L245-Q292 PolarHBondContact O-NE2 3Å; R246-Q292 VanDerWaalsContact C-NE2 3.33Å; R246-Q292 WeakPolarHBondContact O-CG 3.46Å; R246-Q292 PolarHBondContact O-NE2 3.23Å; D247-Q292 PolarHBondContact OD1-NE2 2.88Å; S251-Q292 WeakPolarHBondContact O-CA 3.39Å; H287-Q292 CarbonylContact C-O 3.6Å; H287-Q292 VanDerWaalsContact C-O 3.26Å; H287-Q292 HydrophobicContact CB-CB 3.79Å; H287-Q292 PolarHBondContact CD2-OE1 3.15Å; H287-Q292 WeakPolarHBondContact O-CB 3.36Å; H287-Q292 PolarHBondContact O-N 2.99Å; A288-Q292 PolarHBondContact N-O 3.33Å; N290-Q292 HydrophobicContact CB-CG 4.13Å; N290-Q292 PolarHBondContact O-N 3.33Å
293L98.1Very high96.7Very high52 Ų5249.9 Ų49.927%0.27226%0.258SS..EExtended strand (participates in β ladder)trans-97.3127.5169.3179.963.6000110.3L152 S251 V252 Y253 F284L152-L293 HydrophobicContact CB-CD2 4.02Å; L152-L293 HydrophobicContact CD1-CD2 4.13Å; L152-L293 HydrophobicContact CD2-CD2 3.93Å; L152-L293 HydrophobicContact CG-CD2 4.23Å; S251-L293 PolarHBondContact O-N 2.92Å; V252-L293 WeakPolarHBondContact CA-O 3.38Å; V252-L293 HydrophobicContact CG1-CD2 4.43Å; V252-L293 HydrophobicContact CG2-CB 4.22Å; V252-L293 HydrophobicContact CG2-CD2 4.37Å; Y253-L293 PolarHBondContact N-O 3.5Å; F284-L293 HydrophobicContact CE2-CD1 4.19Å
294Y98.2Very high96.8Very high18 Ų1858.3 Ų58.37%0.07129%0.289CS..EExtended strand (participates in β ladder)trans-105.8131.7171.4-178.9-90.8000110.4Y253 F280 Q283 H287 W296Y253-Y294 AromaticContact CD1-CD2 3.39Å; Y253-Y294 HydrophobicContact CD1-CD2 3.39Å; Y253-Y294 AromaticContact CD1-CE2 3.34Å; Y253-Y294 HydrophobicContact CD1-CE2 3.34Å; Y253-Y294 HydrophobicContact CD1-CG 4.44Å; Y253-Y294 HydrophobicContact CE1-CD2 4Å; Y253-Y294 AromaticContact CE1-CE2 3.42Å; Y253-Y294 HydrophobicContact CE1-CE2 3.42Å; Y253-Y294 VanDerWaalsContact CE1-CE2 3.42Å; Y253-Y294 HydrophobicContact CG-CD2 4.21Å; Y253-Y294 HydrophobicContact CG-CE2 4.43Å; Y253-Y294 CarbonylContact O-C 3.59Å; Y253-Y294 WeakPolarHBondContact O-CA 3.21Å; F280-Y294 HydrophobicContact CD2-CD1 4.11Å; F280-Y294 AromaticContact CD2-CE1 3.9Å; F280-Y294 HydrophobicContact CD2-CE1 3.9Å; F280-Y294 AromaticContact CE2-CD1 3.9Å; F280-Y294 HydrophobicContact CE2-CD1 3.9Å; F280-Y294 HydrophobicContact CE2-CE1 4.07Å; Q283-Y294 HydrophobicContact CB-CD1 3.74Å; Q283-Y294 HydrophobicContact CB-CD2 3.95Å; Q283-Y294 HydrophobicContact CB-CE1 3.51Å; Q283-Y294 HydrophobicContact CB-CE2 3.72Å; Q283-Y294 HydrophobicContact CB-CG 3.96Å; Q283-Y294 VanDerWaalsContact CB-CZ 3.5Å; Q283-Y294 HydrophobicContact CG-CE1 4.25Å; Q283-Y294 HydrophobicContact CG-CE2 4.15Å; H287-Y294 AromaticContact CE1-CD2 3.72Å; H287-Y294 AromaticContact ND1-CD2 3.84Å; H287-Y294 AromaticContact NE2-CD2 3.86Å; Y294-W296 AromaticContact CE1-CD1 3.63Å; Y294-W296 AromaticContact CE1-NE1 3.39Å; Y294-W296 AromaticContact CZ-CD1 3.93Å; Y294-W296 AromaticContact CZ-NE1 3.58Å; Y294-W296 PolarHBondContact OH-NE1 3.4Å
295W98Very high96.8Very high100 Ų10054.3 Ų54.338%0.37927%0.271SS..EExtended strand (participates in β ladder)trans-141.7144-176.6-162.3-102.1000114.3L152 Y253 A254 S255 F280L152-W295 HydrophobicContact CD1-CB 3.84Å; L152-W295 HydrophobicContact CD1-CD2 3.62Å; L152-W295 HydrophobicContact CD1-CE3 4.25Å; L152-W295 HydrophobicContact CD1-CG 3.39Å; Y253-W295 PolarHBondContact O-N 3.3Å; A254-W295 WeakPolarHBondContact CA-O 3.37Å; A254-W295 HydrophobicContact CB-CB 4.44Å; S255-W295 PolarHBondContact N-O 3.5Å; F280-W295 HydrophobicContact CZ-CE3 4.45Å
296W97.6Very high96.8Very high20 Ų2049 Ų498%0.07624%0.244CC..EExtended strand (participates in β ladder)trans-97.9113.9167.5-76.51.6000109.3T258 P259 L260 S276 T279 F280 Y294 Y298T258-W296 HydrophobicContact CG2-CB 3.57Å; T258-W296 HydrophobicContact CG2-CD2 4.24Å; T258-W296 HydrophobicContact CG2-CG 3.7Å; P259-W296 HydrophobicContact CG-CH2 3.31Å; P259-W296 HydrophobicContact CG-CZ2 3.4Å; P259-W296 VanDerWaalsContact CG-CZ2 3.4Å; P259-W296 HydrophobicContact CG-CZ3 4.05Å; L260-W296 HydrophobicContact CB-CE3 4.33Å; L260-W296 HydrophobicContact CB-CZ3 4.04Å; S276-W296 VanDerWaalsContact O-CH2 3.24Å; S276-W296 WeakPolarHBondContact O-CH2 3.46Å; T279-W296 HydrophobicContact CG2-CZ2 4.16Å; F280-W296 HydrophobicContact CB-CH2 3.81Å; F280-W296 HydrophobicContact CB-CZ2 3.83Å; F280-W296 HydrophobicContact CB-CZ3 4.19Å; F280-W296 HydrophobicContact CD2-CB 4.45Å; F280-W296 AromaticContact CD2-CD1 3.99Å; F280-W296 AromaticContact CD2-CD2 3.66Å; F280-W296 HydrophobicContact CD2-CD2 3.66Å; F280-W296 AromaticContact CD2-CE2 3.74Å; F280-W296 HydrophobicContact CD2-CE3 4.11Å; F280-W296 AromaticContact CD2-CG 3.82Å; F280-W296 HydrophobicContact CD2-CG 3.82Å; F280-W296 HydrophobicContact CD2-CZ2 4.24Å; F280-W296 AromaticContact CD2-NE1 3.96Å; F280-W296 HydrophobicContact CE2-CB 4.35Å; F280-W296 HydrophobicContact CE2-CD2 4.41Å; F280-W296 HydrophobicContact CE2-CG 4.12Å; Y294-W296 AromaticContact CE1-CD1 3.63Å; Y294-W296 AromaticContact CE1-NE1 3.39Å; Y294-W296 AromaticContact CZ-CD1 3.93Å; Y294-W296 AromaticContact CZ-NE1 3.58Å; Y294-W296 PolarHBondContact OH-NE1 3.4Å; W296-Y298 HydrophobicContact CB-CE2 3.99Å
297S95.5Very high96.9Very high3 Ų347.3 Ų47.32%0.02124%0.242CC..  trans-92.3131.9-177.6-160.60000110.6S144 S148 S255S144-S297 PolarHBondContact O-OG 2.91Å; S148-S297 WeakPolarHBondContact OG-CB 3.02Å; S148-S297 PolarHBondContact OG-OG 2.83Å; S255-S297 PolarHBondContact O-N 3.26Å
298Y94Very high96.9Very high66 Ų6649.3 Ų49.326%0.25926%0.255SS..  trans-123153.6170-60.3-87.2000108.5T258 L260 W296 N300T258-Y298 VanDerWaalsContact CB-OH 3.25Å; T258-Y298 WeakPolarHBondContact CB-OH 3.22Å; T258-Y298 HydrophobicContact CG2-CE1 4.27Å; T258-Y298 HydrophobicContact CG2-CE2 4.38Å; T258-Y298 WeakPolarHBondContact OG1-CE1 3.5Å; T258-Y298 VanDerWaalsContact OG1-CZ 3.25Å; T258-Y298 PolarHBondContact OG1-OH 3.45Å; L260-Y298 WeakPolarHBondContact CB-OH 3.4Å; L260-Y298 WeakPolarHBondContact CD2-OH 3.46Å; W296-Y298 HydrophobicContact CB-CE2 3.99Å; Y298-N300 PolarHBondContact O-N 2.96Å; Y298-N300 VanDerWaalsContact O-N 3.08Å
299A93.8Very high97Very high20 Ų2047 Ų4717%0.16524%0.235CC..  trans-61.7113.7170.800000109.7H140 T143 S144H140-A299 WeakPolarHBondContact CE1-CB 3.45Å; T143-A299 WeakPolarHBondContact O-CA 3.3Å; S144-A299 WeakPolarHBondContact OG-CB 3.42Å
300N93.8Very high97.1Very high83 Ų8341.1 Ų41.144%0.44421%0.206SC..  trans-113.4105.9173.6-17224.8000109.2T143 I147 Y298 D302T143-N300 WeakPolarHBondContact CB-O 3.22Å; T143-N300 WeakPolarHBondContact CG2-O 3.4Å; T143-N300 PolarHBondContact O-N 3.33Å; T143-N300 VanDerWaalsContact O-N 3.16Å; I147-N300 HydrophobicContact CD1-CB 3.87Å; Y298-N300 PolarHBondContact O-N 2.96Å; Y298-N300 VanDerWaalsContact O-N 3.08Å; N300-D302 PolarHBondContact O-N 3.37Å
301P96.4Very high97.3Very high5 Ų543 Ų433%0.03221%0.213CC..  trans-49.4128177-3138.1000113S103 W121 T122S103-P301 WeakPolarHBondContact O-CB 3.26Å; S103-P301 WeakPolarHBondContact O-CG 3.42Å; W121-P301 VanDerWaalsContact CZ3-O 3.28Å; W121-P301 WeakPolarHBondContact CZ3-O 3.28Å; T122-P301 HydrophobicContact CG2-CB 3.43Å; T122-P301 VanDerWaalsContact CG2-CB 3.43Å; T122-P301 HydrophobicContact CG2-CG 4.46Å
302D97.4Very high97.4Very high48 Ų4842.7 Ų42.726%0.25720%0.203SC..  trans-150.1101.2-175.3-179.3-12.1000110.3N300 R304 A305 L306N300-D302 PolarHBondContact O-N 3.37Å; D302-R304 PolarHBondContact O-N 2.71Å; D302-R304 WeakPolarHBondContact OD1-CA 3.48Å; D302-R304 WeakPolarHBondContact OD1-CB 3.37Å; D302-R304 PolarHBondContact OD1-N 2.78Å; D302-A305 HydrophobicContact CB-CB 3.9Å; D302-A305 WeakPolarHBondContact O-CB 3.49Å; D302-A305 PolarHBondContact O-N 2.85Å; D302-A305 PolarHBondContact OD1-N 3.14Å; D302-A305 VanDerWaalsContact OD1-N 3.1Å; D302-L306 WeakPolarHBondContact O-CG 3.39Å; D302-L306 PolarHBondContact O-N 2.84Å
303G98.1Very high97.4Very high6 Ų642.3 Ų42.36%0.06220%0.202CC..Hα-helixtrans-63.3-24.3179.200000113.9W121 T307W121-G303 WeakPolarHBondContact O-CA 3.45Å; W121-G303 PolarHBondContact O-N 2.99Å; G303-T307 WeakPolarHBondContact O-CB 3.46Å; G303-T307 PolarHBondContact O-N 2.72Å; G303-T307 PolarHBondContact O-OG1 2.83Å
304R97.9Very high97.4Very high213 Ų21342.9 Ų42.980%0.80421%0.205SC*.Hα-helixtrans-75.6-42.1176.9-62.3179.8177.2171.5-0.4110.9D302 L306 T307 T308D302-R304 PolarHBondContact O-N 2.71Å; D302-R304 WeakPolarHBondContact OD1-CA 3.48Å; D302-R304 WeakPolarHBondContact OD1-CB 3.37Å; D302-R304 PolarHBondContact OD1-N 2.78Å; R304-L306 VanDerWaalsContact C-N 3.32Å; R304-T307 PolarHBondContact O-N 3.14Å; R304-T308 PolarHBondContact O-N 2.96Å; R304-T308 PolarHBondContact O-OG1 2.97Å
305A98.2Very high97.5Very high1 Ų149.6 Ų49.61%0.00824%0.235CC..Hα-helixtrans-58.1-46.4170.600000110.9V142 W146 D302 T307 T308 V309V142-A305 HydrophobicContact CG1-CB 4.03Å; W146-A305 HydrophobicContact CB-CB 4.36Å; W146-A305 HydrophobicContact CD2-CB 3.59Å; W146-A305 HydrophobicContact CE3-CB 4.23Å; W146-A305 HydrophobicContact CG-CB 3.63Å; W146-A305 HydrophobicContact CZ2-CB 4.18Å; D302-A305 HydrophobicContact CB-CB 3.9Å; D302-A305 WeakPolarHBondContact O-CB 3.49Å; D302-A305 PolarHBondContact O-N 2.85Å; D302-A305 PolarHBondContact OD1-N 3.14Å; D302-A305 VanDerWaalsContact OD1-N 3.1Å; A305-T307 PolarHBondContact O-N 2.88Å; A305-T308 WeakPolarHBondContact O-CB 2.84Å; A305-T308 PolarHBondContact O-N 2.79Å; A305-V309 WeakPolarHBondContact O-CG2 3.39Å; A305-V309 PolarHBondContact O-N 3.3Å
306L98.8Very high97.5Very high0 Ų048 Ų480%025%0.249CC..Hα-helixtrans-62.2-41.5176.6-64.6178000112.6F101 A124 P139 V142 D302 R304 T308 V309 A310F101-L306 HydrophobicContact CE1-CB 3.97Å; F101-L306 HydrophobicContact CE2-CB 4.48Å; F101-L306 HydrophobicContact CE2-CD2 4.15Å; F101-L306 HydrophobicContact CZ-CB 3.81Å; F101-L306 HydrophobicContact CZ-CD2 4.3Å; F101-L306 WeakPolarHBondContact CZ-O 3.43Å; A124-L306 HydrophobicContact CB-CB 3.69Å; P139-L306 HydrophobicContact CB-CD1 4.32Å; P139-L306 HydrophobicContact CB-CD2 4Å; V142-L306 HydrophobicContact CB-CD2 3.92Å; V142-L306 HydrophobicContact CG1-CD2 3.97Å; V142-L306 HydrophobicContact CG2-CD2 4.22Å; D302-L306 WeakPolarHBondContact O-CG 3.39Å; D302-L306 PolarHBondContact O-N 2.84Å; R304-L306 VanDerWaalsContact C-N 3.32Å; L306-T308 VanDerWaalsContact C-N 3.3Å; L306-T308 PolarHBondContact O-N 2.81Å; L306-V309 PolarHBondContact O-N 2.93Å; L306-A310 WeakPolarHBondContact O-CB 3.35Å; L306-A310 PolarHBondContact O-N 3.31Å
307T98.7Very high97.5Very high64 Ų6453.5 Ų53.539%0.39327%0.274SS..Hα-helixtrans-59.8-42.4175.6-61.40000111.4G303 R304 A305 A310 Q311G303-T307 WeakPolarHBondContact O-CB 3.46Å; G303-T307 PolarHBondContact O-N 2.72Å; G303-T307 PolarHBondContact O-OG1 2.83Å; R304-T307 PolarHBondContact O-N 3.14Å; A305-T307 PolarHBondContact O-N 2.88Å; T307-A310 PolarHBondContact O-N 2.83Å; T307-Q311 WeakPolarHBondContact O-CG 3.42Å; T307-Q311 PolarHBondContact O-N 2.96Å; T307-Q311 VanDerWaalsContact O-N 3.15Å
308T98.2Very high97.6Very high46 Ų4653.5 Ų53.528%0.28227%0.273SS..Hα-helixtrans-64.6-44.2178-54.30000110.8W146 R304 A305 L306 Q311 L312W146-T308 HydrophobicContact CH2-CG2 3.81Å; W146-T308 HydrophobicContact CZ2-CG2 4.33Å; R304-T308 PolarHBondContact O-N 2.96Å; R304-T308 PolarHBondContact O-OG1 2.97Å; A305-T308 WeakPolarHBondContact O-CB 2.84Å; A305-T308 PolarHBondContact O-N 2.79Å; L306-T308 VanDerWaalsContact C-N 3.3Å; L306-T308 PolarHBondContact O-N 2.81Å; T308-Q311 PolarHBondContact O-N 3.26Å; T308-L312 WeakPolarHBondContact O-CG 3.42Å; T308-L312 PolarHBondContact O-N 2.77Å; T308-L312 VanDerWaalsContact O-N 3.07Å
309V98.5Very high97.8Very high0 Ų055 Ų550%028%0.281CS..Hα-helixtrans-65.9-38.8177.5172.30000111.5F138 V142 W146 F176 A305 L306 Q311 L312 V313F138-V309 HydrophobicContact CD1-CG1 4.15Å; V142-V309 HydrophobicContact CG1-CG2 3.89Å; V142-V309 HydrophobicContact CG2-CB 4.18Å; V142-V309 HydrophobicContact CG2-CG1 3.91Å; V142-V309 HydrophobicContact CG2-CG2 3.84Å; W146-V309 HydrophobicContact CE3-CG2 4.32Å; W146-V309 HydrophobicContact CH2-CG2 4.35Å; W146-V309 HydrophobicContact CZ3-CG2 3.67Å; F176-V309 HydrophobicContact CE2-CG1 4.01Å; F176-V309 HydrophobicContact CE2-CG2 3.87Å; F176-V309 HydrophobicContact CZ-CG2 3.84Å; A305-V309 WeakPolarHBondContact O-CG2 3.39Å; A305-V309 PolarHBondContact O-N 3.3Å; L306-V309 PolarHBondContact O-N 2.93Å; V309-Q311 VanDerWaalsContact C-N 3.3Å; V309-Q311 PolarHBondContact O-N 3.27Å; V309-L312 PolarHBondContact O-N 3.23Å; V309-L312 VanDerWaalsContact O-N 3.16Å; V309-V313 HydrophobicContact CG1-CG2 4.27Å; V309-V313 VanDerWaalsContact O-CG2 3.31Å; V309-V313 WeakPolarHBondContact O-CG2 3.1Å; V309-V313 PolarHBondContact O-N 3.37Å
310A98.8Very high98Very high6 Ų655.3 Ų55.35%0.0528%0.282CS..Hα-helixtrans-57.5-44.4175.400000111.6F101 P127 L306 T307 V313 D314F101-A310 HydrophobicContact CE1-CB 4.12Å; F101-A310 HydrophobicContact CZ-CB 3.95Å; P127-A310 HydrophobicContact CB-CB 4.32Å; P127-A310 HydrophobicContact CG-CB 4.11Å; L306-A310 WeakPolarHBondContact O-CB 3.35Å; L306-A310 PolarHBondContact O-N 3.31Å; T307-A310 PolarHBondContact O-N 2.83Å; A310-V313 PolarHBondContact O-N 3.1Å; A310-D314 PolarHBondContact O-N 3.43Å
311Q98.6Very high98.2Very high107 Ų10752.2 Ų52.250%0.527%0.266SS..Hα-helixtrans-62.5-45174.9-68.3174.3-16.300112T307 T308 V309 V313 D314 F315T307-Q311 WeakPolarHBondContact O-CG 3.42Å; T307-Q311 PolarHBondContact O-N 2.96Å; T307-Q311 VanDerWaalsContact O-N 3.15Å; T308-Q311 PolarHBondContact O-N 3.26Å; V309-Q311 VanDerWaalsContact C-N 3.3Å; V309-Q311 PolarHBondContact O-N 3.27Å; Q311-V313 PolarHBondContact O-N 2.97Å; Q311-D314 PolarHBondContact O-N 2.95Å; Q311-F315 HydrophobicContact CB-CD2 4.39Å; Q311-F315 HydrophobicContact CB-CE2 4.25Å; Q311-F315 WeakPolarHBondContact O-CD2 3.36Å; Q311-F315 WeakPolarHBondContact O-CG 3.3Å; Q311-F315 PolarHBondContact O-N 3.18Å
312L98.6Very high98.3Very high25 Ų2554 Ų5413%0.13128%0.276CS..Hα-helixtrans-61.3-34.2177.2-69.2173.3000112.4L180 V183 T308 V309 G316 K317 I318L180-L312 HydrophobicContact CD1-CD1 4.25Å; V183-L312 HydrophobicContact CG1-CD1 4.23Å; V183-L312 HydrophobicContact CG1-CD2 3.87Å; T308-L312 WeakPolarHBondContact O-CG 3.42Å; T308-L312 PolarHBondContact O-N 2.77Å; T308-L312 VanDerWaalsContact O-N 3.07Å; V309-L312 PolarHBondContact O-N 3.23Å; V309-L312 VanDerWaalsContact O-N 3.16Å; L312-G316 PolarHBondContact O-N 3.43Å; L312-K317 HydrophobicContact CB-CB 4.38Å; L312-K317 HydrophobicContact CD2-CB 4.19Å; L312-K317 HydrophobicContact CD2-CG 4.44Å; L312-K317 WeakPolarHBondContact O-CA 3.49Å; L312-K317 WeakPolarHBondContact O-CB 3.33Å; L312-K317 PolarHBondContact O-N 3.16Å; L312-I318 HydrophobicContact CB-CD1 4Å; L312-I318 HydrophobicContact CB-CG1 4.12Å; L312-I318 HydrophobicContact CD1-CD1 3.79Å; L312-I318 PolarHBondContact O-N 2.86Å
313V98.8Very high98.2Very high6 Ų654.2 Ų54.24%0.03628%0.282CS..Hα-helixtrans-70.9-44.9174.5173.80000111.3P127 V130 F138 V309 A310 Q311 F315 G316 I318P127-V313 HydrophobicContact CB-CB 3.92Å; P127-V313 HydrophobicContact CB-CG1 3.7Å; P127-V313 HydrophobicContact CG-CB 3.91Å; P127-V313 HydrophobicContact CG-CG1 3.79Å; P127-V313 HydrophobicContact CG-CG2 4.4Å; V130-V313 HydrophobicContact CG1-CG1 3.6Å; V130-V313 HydrophobicContact CG2-CG1 4.49Å; F138-V313 HydrophobicContact CE1-CG2 4.16Å; F138-V313 HydrophobicContact CE2-CG2 3.94Å; F138-V313 HydrophobicContact CZ-CG2 3.61Å; V309-V313 HydrophobicContact CG1-CG2 4.27Å; V309-V313 VanDerWaalsContact O-CG2 3.31Å; V309-V313 WeakPolarHBondContact O-CG2 3.1Å; V309-V313 PolarHBondContact O-N 3.37Å; A310-V313 PolarHBondContact O-N 3.1Å; Q311-V313 PolarHBondContact O-N 2.97Å; V313-F315 VanDerWaalsContact C-N 3.25Å; V313-F315 PolarHBondContact O-N 2.8Å; V313-G316 PolarHBondContact O-N 3.27Å; V313-I318 WeakPolarHBondContact CA-O 3.4Å; V313-I318 HydrophobicContact CG2-CB 4.07Å; V313-I318 HydrophobicContact CG2-CG2 4.12Å
314D98.7Very high98.1Very high63 Ų6359.1 Ų59.134%0.33730%0.301SS..Hα-helixtrans-61.8-33.4176-76.3-24.6000112.2P127 R128 S129 A310 Q311 G316P127-D314 WeakPolarHBondContact CA-OD1 3.47Å; P127-D314 WeakPolarHBondContact CB-OD1 3.4Å; R128-D314 PolarHBondContact N-OD1 3.33Å; R128-D314 PolarHBondContact N-OD2 3.32Å; S129-D314 PolarHBondContact N-OD1 3.3Å; S129-D314 PolarHBondContact OG-OD1 3.28Å; S129-D314 VanDerWaalsContact OG-OD1 3.12Å; A310-D314 PolarHBondContact O-N 3.43Å; Q311-D314 PolarHBondContact O-N 2.95Å; D314-G316 VanDerWaalsContact C-N 3.25Å; D314-G316 PolarHBondContact O-N 3.43Å
315F98.3Very high98.1Very high160 Ų16053.6 Ų53.670%0.70229%0.285SS*.THydrogen-bonded Turntrans-81.14.2173-68.1-55.3000114.4Q311 V313 K317Q311-F315 HydrophobicContact CB-CD2 4.39Å; Q311-F315 HydrophobicContact CB-CE2 4.25Å; Q311-F315 WeakPolarHBondContact O-CD2 3.36Å; Q311-F315 WeakPolarHBondContact O-CG 3.3Å; Q311-F315 PolarHBondContact O-N 3.18Å; V313-F315 VanDerWaalsContact C-N 3.25Å; V313-F315 PolarHBondContact O-N 2.8Å; F315-K317 HydrophobicContact CB-CG 4.12Å; F315-K317 PolarHBondContact O-N 2.85Å
316G98Very high98.1Very high65 Ų6554.4 Ų54.467%0.6729%0.288SS*.THydrogen-bonded Turntrans66.818.3179.300000114.6L312 V313 D314L312-G316 PolarHBondContact O-N 3.43Å; V313-G316 PolarHBondContact O-N 3.27Å; D314-G316 VanDerWaalsContact C-N 3.25Å; D314-G316 PolarHBondContact O-N 3.43Å
317K98.1Very high98.1Very high137 Ų13756.8 Ų56.860%0.59630%0.303SS*.SBendtrans-84.5-26.6179.3-62.1-61.4-176.2-177.90112.8V183 L312 F315V183-K317 HydrophobicContact CG2-CB 3.89Å; L312-K317 HydrophobicContact CB-CB 4.38Å; L312-K317 HydrophobicContact CD2-CB 4.19Å; L312-K317 HydrophobicContact CD2-CG 4.44Å; L312-K317 WeakPolarHBondContact O-CA 3.49Å; L312-K317 WeakPolarHBondContact O-CB 3.33Å; L312-K317 PolarHBondContact O-N 3.16Å; F315-K317 HydrophobicContact CB-CG 4.12Å; F315-K317 PolarHBondContact O-N 2.85Å
318I98.5Very high98.1Very high2 Ų254.9 Ų54.91%0.0129%0.29CS..SBendtrans-129.1136.5173.4-62.8-178.6000107.5F138 F176 Q179 L180 V183 L312 V313F138-I318 HydrophobicContact CE1-CG2 3.67Å; F138-I318 HydrophobicContact CZ-CG2 4.12Å; F176-I318 HydrophobicContact CD2-CG2 4.44Å; F176-I318 HydrophobicContact CE2-CD1 3.99Å; Q179-I318 HydrophobicContact CB-CG1 4.17Å; Q179-I318 HydrophobicContact CB-CG2 4.39Å; L180-I318 HydrophobicContact CD1-CD1 4.09Å; V183-I318 HydrophobicContact CG2-CD1 4.5Å; V183-I318 HydrophobicContact CG2-CG1 4.04Å; L312-I318 HydrophobicContact CB-CD1 4Å; L312-I318 HydrophobicContact CB-CG1 4.12Å; L312-I318 HydrophobicContact CD1-CD1 3.79Å; L312-I318 PolarHBondContact O-N 2.86Å; V313-I318 WeakPolarHBondContact CA-O 3.4Å; V313-I318 HydrophobicContact CG2-CB 4.07Å; V313-I318 HydrophobicContact CG2-CG2 4.12Å
319K98Very high98Very high98 Ų9856.7 Ų56.743%0.42630%0.304SS..  trans-114.7147.917661.8-179.9178.1-175.50111.4Q179 L203Q179-K319 PolarHBondContact NE2-O 2.97Å; Q179-K319 VanDerWaalsContact NE2-O 3.17Å; Q179-K319 PolarHBondContact OE1-O 3.16Å; L203-K319 VanDerWaalsContact CD2-CE 3.43Å; L203-K319 HydrophobicContact CD2-CG 4.37Å
320P98.1Very high98Very high27 Ų2760.5 Ų60.518%0.17532%0.322CS..  trans-63.2141.917127.8-34.8000110V130 E134 F138V130-P320 HydrophobicContact CG1-CG 4.35Å; E134-P320 HydrophobicContact CB-CB 3.75Å; E134-P320 HydrophobicContact CB-CG 3.8Å; E134-P320 HydrophobicContact CG-CB 3.95Å; E134-P320 HydrophobicContact CG-CG 3.74Å; F138-P320 HydrophobicContact CE2-CB 3.88Å; F138-P320 HydrophobicContact CZ-CB 4.04Å
321V98Very high97.9Very high18 Ų1860.2 Ų60.211%0.10932%0.32CS..  trans-121.481176.4-171.30000108.5T175 L199 L203 K346T175-V321 HydrophobicContact CG2-CG1 4.14Å; L199-V321 HydrophobicContact CD1-CG1 4.04Å; L199-V321 HydrophobicContact CD2-CG1 4.08Å; L203-V321 HydrophobicContact CD1-CG2 4.32Å; L203-V321 HydrophobicContact CD2-CG2 3.88Å; V321-K346 PolarHBondContact O-N 3.27Å
322V97.8Very high97.9Very high42 Ų4257.3 Ų57.326%0.25531%0.31SS..EExtended strand (participates in β ladder)trans-99.9118179.8178.30000109.2Q325 K346 V348V322-Q325 HydrophobicContact CG1-CG 3.92Å; V322-K346 CarbonylContact C-O 3.5Å; V322-V348 HydrophobicContact CG1-CB 4.47Å; V322-V348 HydrophobicContact CG1-CG1 4.14Å; V322-V348 HydrophobicContact CG1-CG2 3.57Å; V322-V348 HydrophobicContact CG2-CG1 3.99Å
323S95.7Very high97.8Very high53 Ų5359.9 Ų59.937%0.37132%0.323SS..EExtended strand (participates in β ladder)trans-81.3-36.6177.458.30000113.5L344 K346 I347S323-L344 VanDerWaalsContact CB-O 3.29Å; S323-L344 WeakPolarHBondContact CB-O 3.17Å; S323-K346 PolarHBondContact N-O 3.48Å; S323-K346 PolarHBondContact OG-O 2.95Å; S323-I347 WeakPolarHBondContact OG-CG1 3.27Å
324K96.7Very high97.8Very high109 Ų10959.6 Ų59.647%0.47432%0.322SS..EExtended strand (participates in β ladder)trans-158.8147.6-175.9-163.3147.2-178.11670111F326 I347 V348K324-F326 HydrophobicContact CB-CE2 4.07Å; K324-F326 HydrophobicContact CD-CE2 4.01Å; K324-F326 HydrophobicContact CD-CZ 3.85Å; K324-F326 HydrophobicContact CG-CD2 4.24Å; K324-F326 HydrophobicContact CG-CE2 3.63Å; K324-F326 HydrophobicContact CG-CZ 3.97Å; K324-I347 WeakPolarHBondContact O-CA 3.24Å; K324-V348 PolarHBondContact O-N 2.72Å
325Q97.6Very high97.7Very high97 Ų9756.9 Ų56.945%0.45331%0.307SS..EExtended strand (participates in β ladder)trans-117.4145174.1-46.2-1628.300109.1V322 V348V322-Q325 HydrophobicContact CG1-CG 3.92Å; Q325-V348 VanDerWaalsContact CA-O 3.32Å; Q325-V348 WeakPolarHBondContact CA-O 3.14Å; Q325-V348 HydrophobicContact CB-CG2 4Å; Q325-V348 HydrophobicContact CG-CG2 3.55Å
326F98.1Very high97.6Very high18 Ų1854.8 Ų54.88%0.07930%0.3CS..EExtended strand (participates in β ladder)trans-131.5148.5174.6-67.3-94.1000109.1K324 E330 L333 A334 R337 I347 V348 V349 T350K324-F326 HydrophobicContact CB-CE2 4.07Å; K324-F326 HydrophobicContact CD-CE2 4.01Å; K324-F326 HydrophobicContact CD-CZ 3.85Å; K324-F326 HydrophobicContact CG-CD2 4.24Å; K324-F326 HydrophobicContact CG-CE2 3.63Å; K324-F326 HydrophobicContact CG-CZ 3.97Å; F326-E330 HydrophobicContact CB-CB 4.22Å; F326-E330 HydrophobicContact CD1-CB 4.19Å; F326-E330 WeakPolarHBondContact CD1-OE2 3.26Å; F326-L333 HydrophobicContact CD1-CB 4.32Å; F326-L333 HydrophobicContact CE1-CB 4.16Å; F326-A334 HydrophobicContact CB-CB 4.17Å; F326-A334 HydrophobicContact CD2-CB 3.59Å; F326-A334 HydrophobicContact CE2-CB 4.09Å; F326-A334 HydrophobicContact CG-CB 3.89Å; F326-R337 HydrophobicContact CE2-CB 4.43Å; F326-R337 HydrophobicContact CZ-CB 4.07Å; F326-R337 HydrophobicContact CZ-CG 4.28Å; F326-I347 HydrophobicContact CD2-CG2 3.68Å; F326-I347 HydrophobicContact CE2-CG2 3.65Å; F326-V348 PolarHBondContact N-O 3.37Å; F326-V349 HydrophobicContact CB-CG2 4.42Å; F326-V349 CarbonylContact O-C 3.57Å; F326-V349 WeakPolarHBondContact O-CA 3.34Å; F326-V349 WeakPolarHBondContact O-CG1 3.4Å; F326-T350 PolarHBondContact O-N 3.32Å
327P98Very high97.5Very high50 Ų5055.1 Ų55.133%0.32528%0.281SS..EExtended strand (participates in β ladder)trans-70.3159.5168.730.9-35.5000111S329 E330 T350P327-S329 PolarHBondContact O-N 3.06Å; P327-E330 HydrophobicContact CG-CB 3.97Å; P327-E330 HydrophobicContact CG-CG 3.78Å; P327-E330 WeakPolarHBondContact O-CA 3.28Å; P327-E330 PolarHBondContact O-N 2.81Å; P327-T350 CarbonylContact C-O 3.58Å
328F98.1Very high97.4Very high24 Ų2449.4 Ų49.411%0.10526%0.257CS..G310 helixtrans-51.5-40.1-179.6-178.5-105.2000113.9W4 L17 F38 E330 T331 T350 N351W4-F328 AromaticContact CD1-CE2 3.59Å; W4-F328 AromaticContact CD1-CZ 3.55Å; W4-F328 AromaticContact NE1-CD1 3.98Å; W4-F328 AromaticContact NE1-CE1 3.67Å; W4-F328 AromaticContact NE1-CE2 3.73Å; W4-F328 AromaticContact NE1-CZ 3.54Å; W4-F328 PolarHBondContact NE1-O 3.48Å; L17-F328 HydrophobicContact CD1-CE1 3.87Å; L17-F328 HydrophobicContact CD1-CZ 4.2Å; F38-F328 AromaticContact CE1-CD2 3.59Å; F38-F328 HydrophobicContact CE1-CD2 3.59Å; F38-F328 AromaticContact CE1-CE2 3.79Å; F38-F328 HydrophobicContact CE1-CE2 3.79Å; F38-F328 AromaticContact CZ-CD2 3.76Å; F38-F328 HydrophobicContact CZ-CD2 3.76Å; F38-F328 HydrophobicContact CZ-CE2 4.01Å; F328-E330 PolarHBondContact O-N 2.89Å; F328-T331 WeakPolarHBondContact O-CB 3.35Å; F328-T331 PolarHBondContact O-N 3.18Å; F328-T331 PolarHBondContact O-OG1 3.16Å; F328-T350 PolarHBondContact N-O 3.15Å; F328-N351 HydrophobicContact CB-CB 4.21Å; F328-N351 HydrophobicContact CD2-CB 4.18Å; F328-N351 HydrophobicContact CG-CB 4.42Å
329S97.1Very high97.2Very high84 Ų8452.5 Ų52.559%0.58728%0.282SS*.G310 helixtrans-61-24.2176.853.30000113.5P327P327-S329 PolarHBondContact O-N 3.06Å
330E97.5Very high96.9Very high79 Ų7953 Ų5337%0.36929%0.286SS..G310 helixtrans-101.716.5-178.9-67.8-173.8-171.300113.3F326 P327 F328 P332 L333 A334F326-E330 HydrophobicContact CB-CB 4.22Å; F326-E330 HydrophobicContact CD1-CB 4.19Å; F326-E330 WeakPolarHBondContact CD1-OE2 3.26Å; P327-E330 HydrophobicContact CG-CB 3.97Å; P327-E330 HydrophobicContact CG-CG 3.78Å; P327-E330 WeakPolarHBondContact O-CA 3.28Å; P327-E330 PolarHBondContact O-N 2.81Å; F328-E330 PolarHBondContact O-N 2.89Å; E330-P332 VanDerWaalsContact C-N 3.26Å; E330-L333 HydrophobicContact CB-CB 4.35Å; E330-L333 HydrophobicContact CB-CD1 4.16Å; E330-L333 HydrophobicContact CG-CD1 3.97Å; E330-L333 WeakPolarHBondContact O-CA 3.45Å; E330-L333 WeakPolarHBondContact O-CB 3.43Å; E330-L333 PolarHBondContact O-N 3.12Å; E330-A334 PolarHBondContact O-N 2.65Å
331T98.2Very high96.2Very high0 Ų055 Ų550%031%0.311CS..Hα-helixtrans-48.9-40.9173.6-59.30000113.4W4 F38 F112 F328 L333 A334 L335W4-T331 HydrophobicContact CG-CG2 4.12Å; W4-T331 PolarHBondContact NE1-OG1 3.31Å; F38-T331 HydrophobicContact CE2-CG2 4.07Å; F38-T331 HydrophobicContact CZ-CG2 4.28Å; F112-T331 HydrophobicContact CD2-CG2 3.8Å; F112-T331 HydrophobicContact CE2-CG2 4.13Å; F112-T331 HydrophobicContact CG-CG2 4.2Å; F328-T331 WeakPolarHBondContact O-CB 3.35Å; F328-T331 PolarHBondContact O-N 3.18Å; F328-T331 PolarHBondContact O-OG1 3.16Å; T331-L333 VanDerWaalsContact C-N 3.32Å; T331-L333 PolarHBondContact O-N 2.89Å; T331-A334 WeakPolarHBondContact O-CB 3.45Å; T331-A334 PolarHBondContact O-N 3.28Å; T331-L335 PolarHBondContact O-N 2.52Å; T331-L335 VanDerWaalsContact O-N 3.07Å
332P97.5Very high95.3Very high46 Ų4662.9 Ų62.930%0.29934%0.339SS..Hα-helixtrans-60.5-36.7174.1-22.432.9000113.8W4 V15 E330 L335 Q336W4-P332 HydrophobicContact CE3-CG 4.1Å; W4-P332 HydrophobicContact CH2-CG 3.68Å; W4-P332 HydrophobicContact CZ2-CG 4.27Å; W4-P332 HydrophobicContact CZ3-CG 3.57Å; V15-P332 HydrophobicContact CG2-CB 4.14Å; V15-P332 HydrophobicContact CG2-CG 3.88Å; E330-P332 VanDerWaalsContact C-N 3.26Å; P332-L335 PolarHBondContact O-N 2.87Å; P332-Q336 PolarHBondContact O-N 2.97Å
333L97.1Very high94.8Very high79 Ų7962 Ų6241%0.41434%0.335SS..Hα-helixtrans-71.1-36.1176.5-65.3177.8000111.4F326 E330 T331 L335 Q336 R337F326-L333 HydrophobicContact CD1-CB 4.32Å; F326-L333 HydrophobicContact CE1-CB 4.16Å; E330-L333 HydrophobicContact CB-CB 4.35Å; E330-L333 HydrophobicContact CB-CD1 4.16Å; E330-L333 HydrophobicContact CG-CD1 3.97Å; E330-L333 WeakPolarHBondContact O-CA 3.45Å; E330-L333 WeakPolarHBondContact O-CB 3.43Å; E330-L333 PolarHBondContact O-N 3.12Å; T331-L333 VanDerWaalsContact C-N 3.32Å; T331-L333 PolarHBondContact O-N 2.89Å; L333-L335 VanDerWaalsContact C-N 3.33Å; L333-L335 PolarHBondContact O-N 2.82Å; L333-Q336 PolarHBondContact O-N 3.24Å; L333-R337 WeakPolarHBondContact O-CB 3.46Å; L333-R337 PolarHBondContact O-N 3.18Å
334A97.7Very high94.7Very high0 Ų062.1 Ų62.10%033%0.331CS..Hα-helixtrans-59.9-44.217300000111.4V40 F326 E330 T331 R337 L338 I347 V349V40-A334 HydrophobicContact CG1-CB 4.08Å; V40-A334 HydrophobicContact CG2-CB 4.47Å; F326-A334 HydrophobicContact CB-CB 4.17Å; F326-A334 HydrophobicContact CD2-CB 3.59Å; F326-A334 HydrophobicContact CE2-CB 4.09Å; F326-A334 HydrophobicContact CG-CB 3.89Å; E330-A334 PolarHBondContact O-N 2.65Å; T331-A334 WeakPolarHBondContact O-CB 3.45Å; T331-A334 PolarHBondContact O-N 3.28Å; A334-R337 PolarHBondContact O-N 2.65Å; A334-L338 WeakPolarHBondContact O-CB 3.44Å; A334-L338 PolarHBondContact O-N 3.45Å; A334-I347 HydrophobicContact CB-CG2 4.02Å; A334-V349 HydrophobicContact CB-CG2 3.84Å
335L97Very high94.7Very high6 Ų657.1 Ų57.13%0.03131%0.311CS..Hα-helixtrans-64.7-43.4174.7-70.2170.3000112.1V15 V40 D44 L45 F112 T331 P332 L333 R337 L338 A339V15-L335 HydrophobicContact CG1-CD1 3.84Å; V15-L335 HydrophobicContact CG2-CD1 3.89Å; V40-L335 HydrophobicContact CB-CD2 4.09Å; V40-L335 HydrophobicContact CG1-CD2 3.96Å; V40-L335 HydrophobicContact CG1-CG 4.3Å; D44-L335 HydrophobicContact CB-CD2 4.3Å; L45-L335 HydrophobicContact CD2-CB 4.05Å; L45-L335 HydrophobicContact CD2-CD2 3.91Å; L45-L335 HydrophobicContact CG-CD2 4.48Å; F112-L335 HydrophobicContact CE2-CD1 4.17Å; F112-L335 HydrophobicContact CE2-CD2 4.08Å; F112-L335 HydrophobicContact CE2-CG 4.42Å; F112-L335 HydrophobicContact CZ-CD2 4.31Å; T331-L335 PolarHBondContact O-N 2.52Å; T331-L335 VanDerWaalsContact O-N 3.07Å; P332-L335 PolarHBondContact O-N 2.87Å; L333-L335 VanDerWaalsContact C-N 3.33Å; L333-L335 PolarHBondContact O-N 2.82Å; L335-R337 VanDerWaalsContact C-N 3.33Å; L335-R337 PolarHBondContact O-N 3.44Å; L335-L338 WeakPolarHBondContact O-CB 3.4Å; L335-L338 PolarHBondContact O-N 3.43Å; L335-A339 WeakPolarHBondContact O-CB 3Å; L335-A339 PolarHBondContact O-N 3.03Å
336Q95.7Very high94.7Very high116 Ų11653 Ų5354%0.54229%0.292SS..Hα-helixtrans-60.7-43.2175.9-171.6-174.123.400111.6P332 L333 L338 A339 Q340P332-Q336 PolarHBondContact O-N 2.97Å; L333-Q336 PolarHBondContact O-N 3.24Å; Q336-L338 VanDerWaalsContact C-N 3.33Å; Q336-L338 PolarHBondContact O-N 3.02Å; Q336-A339 PolarHBondContact O-N 3.28Å; Q336-Q340 PolarHBondContact O-N 3.48Å
337R96.1Very high94.7Very high72 Ų7252.3 Ų52.327%0.27229%0.288SS..Hα-helixtrans-64-40177.2179.261-174.1120.49.1111.6F326 L333 A334 L335 Q340 R342 I347F326-R337 HydrophobicContact CE2-CB 4.43Å; F326-R337 HydrophobicContact CZ-CB 4.07Å; F326-R337 HydrophobicContact CZ-CG 4.28Å; L333-R337 WeakPolarHBondContact O-CB 3.46Å; L333-R337 PolarHBondContact O-N 3.18Å; A334-R337 PolarHBondContact O-N 2.65Å; L335-R337 VanDerWaalsContact C-N 3.33Å; L335-R337 PolarHBondContact O-N 3.44Å; R337-Q340 PolarHBondContact O-N 3.3Å; R337-R342 PolarHBondContact NH2-O 3.01Å; R337-I347 HydrophobicContact CB-CD1 4.2Å; R337-I347 HydrophobicContact CG-CD1 3.78Å
338L95.8Very high94.7Very high18 Ų1849.9 Ų49.99%0.09427%0.273CS..Hα-helixtrans-62.7-44.9175179.168.5000111.5V40 N41 L45 A334 L335 Q336 Q340 G341 I347V40-L338 HydrophobicContact CB-CD2 4.07Å; V40-L338 HydrophobicContact CG2-CB 4.14Å; V40-L338 HydrophobicContact CG2-CD2 3.94Å; V40-L338 HydrophobicContact CG2-CG 4.47Å; N41-L338 WeakPolarHBondContact O-CD2 3.27Å; L45-L338 HydrophobicContact CD1-CB 4.3Å; L45-L338 HydrophobicContact CD1-CD2 3.75Å; L45-L338 HydrophobicContact CD1-CG 3.84Å; L45-L338 HydrophobicContact CG-CD2 4.03Å; A334-L338 WeakPolarHBondContact O-CB 3.44Å; A334-L338 PolarHBondContact O-N 3.45Å; L335-L338 WeakPolarHBondContact O-CB 3.4Å; L335-L338 PolarHBondContact O-N 3.43Å; Q336-L338 VanDerWaalsContact C-N 3.33Å; Q336-L338 PolarHBondContact O-N 3.02Å; L338-Q340 PolarHBondContact O-N 3.28Å; L338-Q340 VanDerWaalsContact O-N 3.14Å; L338-G341 PolarHBondContact O-N 3.42Å; L338-I347 HydrophobicContact CB-CD1 4.07Å; L338-I347 HydrophobicContact CD1-CD1 4.47Å
339A94.7Very high94.7Very high66 Ų6648.8 Ų48.855%0.54527%0.268SS..Hα-helixtrans-60.8-23.7-178.400000113.5L45 L335 Q336 G341L45-A339 HydrophobicContact CD1-CB 3.84Å; L45-A339 HydrophobicContact CD2-CB 4.43Å; L335-A339 WeakPolarHBondContact O-CB 3Å; L335-A339 PolarHBondContact O-N 3.03Å; Q336-A339 PolarHBondContact O-N 3.28Å; A339-G341 PolarHBondContact O-N 3.08Å
340Q93.1Very high94.8Very high108 Ų10846.2 Ų46.251%0.50525%0.249SC..THydrogen-bonded Turntrans-69.5-11.9174.1-66.1169.8-2.900113.8Q336 R337 L338 R342Q336-Q340 PolarHBondContact O-N 3.48Å; R337-Q340 PolarHBondContact O-N 3.3Å; L338-Q340 PolarHBondContact O-N 3.28Å; L338-Q340 VanDerWaalsContact O-N 3.14Å; Q340-R342 VanDerWaalsContact C-N 3.31Å; Q340-R342 PolarHBondContact O-N 3.05Å
341G83.1Confident94.8Very high69 Ų6942.7 Ų42.771%0.71123%0.233SC*.THydrogen-bonded Turntrans69.517.9171.600000116L338 A339L338-G341 PolarHBondContact O-N 3.42Å; A339-G341 PolarHBondContact O-N 3.08Å
342R78.8Confident94.2Very high185 Ų18548.7 Ų48.770%0.69827%0.265SS*.  trans-119.632.7-175.5-61.9177.3-175.6172.6-0.3113.4R337 Q340R337-R342 PolarHBondContact NH2-O 3.01Å; Q340-R342 VanDerWaalsContact C-N 3.31Å; Q340-R342 PolarHBondContact O-N 3.05Å
343S86.7Confident93Very high23 Ų2347.9 Ų47.916%0.16126%0.262CS..  trans-101.3132178.259.90000110.2
344L93.8Very high90.9Very high55 Ų5555.3 Ų55.329%0.28829%0.294SS..SBendtrans-93.9106.1176.1-64.7-179.2000108.9S170 L199 S323S170-L344 CarbonylContact O-C 3.58Å; S170-L344 WeakPolarHBondContact O-CA 3.43Å; L199-L344 HydrophobicContact CD2-CB 3.74Å; S323-L344 VanDerWaalsContact CB-O 3.29Å; S323-L344 WeakPolarHBondContact CB-O 3.17Å
345G96.1Very high90.6Very high5 Ų558.1 Ų58.15%0.05231%0.309CS..BIsolated β-bridgetrans83.9-131.2-17200000113S170 G172S170-G345 PolarHBondContact O-N 3.01Å; G172-G345 PolarHBondContact N-O 3.07Å
346K97.9Very high90.3Very high11 Ų1160.8 Ų60.85%0.04832%0.324CS..EExtended strand (participates in β ladder)trans-112.1148.2-167.3-66.5-71.2-70.6160.90112.9S39 V40 N41 D79 S137 V141 V321 V322 S323S39-K346 WeakPolarHBondContact OG-CE 3.35Å; S39-K346 PolarHBondContact OG-NZ 2.81Å; V40-K346 PolarHBondContact O-NZ 3.18Å; N41-K346 VanDerWaalsContact CG-NZ 3.34Å; N41-K346 PolarHBondContact OD1-NZ 2.8Å; D79-K346 IonicContact OD2-NZ 3.62Å; S137-K346 WeakPolarHBondContact O-CE 3.46Å; V141-K346 HydrophobicContact CG1-CD 3.85Å; V321-K346 PolarHBondContact O-N 3.27Å; V322-K346 CarbonylContact C-O 3.5Å; S323-K346 PolarHBondContact N-O 3.48Å; S323-K346 PolarHBondContact OG-O 2.95Å
347I98.3Very high90Very high2 Ų257.7 Ų57.71%0.0131%0.312CS..EExtended strand (participates in β ladder)trans-108.2128.7166.1-64.2169000106.5S39 V40 S323 K324 F326 A334 R337 L338S39-I347 WeakPolarHBondContact CA-O 3.08Å; S39-I347 WeakPolarHBondContact CB-O 3.1Å; V40-I347 HydrophobicContact CG2-CB 3.58Å; V40-I347 HydrophobicContact CG2-CG2 3.69Å; V40-I347 PolarHBondContact N-O 3.22Å; S323-I347 WeakPolarHBondContact OG-CG1 3.27Å; K324-I347 WeakPolarHBondContact O-CA 3.24Å; F326-I347 HydrophobicContact CD2-CG2 3.68Å; F326-I347 HydrophobicContact CE2-CG2 3.65Å; A334-I347 HydrophobicContact CB-CG2 4.02Å; R337-I347 HydrophobicContact CB-CD1 4.2Å; R337-I347 HydrophobicContact CG-CD1 3.78Å; L338-I347 HydrophobicContact CB-CD1 4.07Å; L338-I347 HydrophobicContact CD1-CD1 4.47Å
348V98.4Very high89.6Confident0 Ų056.9 Ų56.90%031%0.314CS..EExtended strand (participates in β ladder)trans-119157.3-177.6-55.80000110.2F38 A133 V322 K324 Q325 F326F38-V348 CarbonylContact O-C 3.48Å; F38-V348 WeakPolarHBondContact O-CA 3.42Å; A133-V348 HydrophobicContact CB-CG2 4.13Å; A133-V348 WeakPolarHBondContact O-CG1 3.26Å; V322-V348 HydrophobicContact CG1-CB 4.47Å; V322-V348 HydrophobicContact CG1-CG1 4.14Å; V322-V348 HydrophobicContact CG1-CG2 3.57Å; V322-V348 HydrophobicContact CG2-CG1 3.99Å; K324-V348 PolarHBondContact O-N 2.72Å; Q325-V348 VanDerWaalsContact CA-O 3.32Å; Q325-V348 WeakPolarHBondContact CA-O 3.14Å; Q325-V348 HydrophobicContact CB-CG2 4Å; Q325-V348 HydrophobicContact CG-CG2 3.55Å; F326-V348 PolarHBondContact N-O 3.37Å
349V98.7Very high89.2Confident0 Ų059.3 Ų59.30%033%0.328CS..EExtended strand (participates in β ladder)trans-125.9128.1177.3179.70000108A37 F38 V40 F326 A334A37-V349 CarbonylContact C-O 3.6Å; A37-V349 WeakPolarHBondContact CA-O 3.47Å; A37-V349 WeakPolarHBondContact CB-O 3.3Å; F38-V349 HydrophobicContact CD2-CB 3.69Å; F38-V349 HydrophobicContact CD2-CG1 4.41Å; F38-V349 HydrophobicContact CD2-CG2 4.06Å; F38-V349 HydrophobicContact CE1-CB 4.35Å; F38-V349 HydrophobicContact CE1-CG1 4.12Å; F38-V349 HydrophobicContact CE2-CB 3.32Å; F38-V349 HydrophobicContact CE2-CG1 3.65Å; F38-V349 HydrophobicContact CE2-CG2 3.56Å; F38-V349 HydrophobicContact CG-CB 4.36Å; F38-V349 HydrophobicContact CZ-CB 3.7Å; F38-V349 HydrophobicContact CZ-CG1 3.47Å; F38-V349 VanDerWaalsContact CZ-CG1 3.47Å; F38-V349 HydrophobicContact CZ-CG2 4.27Å; F38-V349 PolarHBondContact N-O 3.45Å; F38-V349 PolarHBondContact O-N 2.96Å; V40-V349 HydrophobicContact CG1-CG2 4.32Å; F326-V349 HydrophobicContact CB-CG2 4.42Å; F326-V349 CarbonylContact O-C 3.57Å; F326-V349 WeakPolarHBondContact O-CA 3.34Å; F326-V349 WeakPolarHBondContact O-CG1 3.4Å; A334-V349 HydrophobicContact CB-CG2 3.84Å
350T98.5Very high88.8Confident31 Ų3158.9 Ų58.919%0.1931%0.313CS..EExtended strand (participates in β ladder)trans-92.8138175.354.80000110A133 F326 P327 F328A133-T350 HydrophobicContact CB-CG2 3.89Å; F326-T350 PolarHBondContact O-N 3.32Å; P327-T350 CarbonylContact C-O 3.58Å; F328-T350 PolarHBondContact N-O 3.15Å
351N96.6Very high88.5Confident5 Ų555.4 Ų55.43%0.02730%0.3CS..  trans-119.1103.9176.2-168.62000110K36 D114 F328 A353K36-N351 PolarHBondContact O-N 3.18Å; D114-N351 WeakPolarHBondContact CA-ND2 3Å; D114-N351 PolarHBondContact OD1-ND2 2.85Å; F328-N351 HydrophobicContact CB-CB 4.21Å; F328-N351 HydrophobicContact CD2-CB 4.18Å; F328-N351 HydrophobicContact CG-CB 4.42Å; N351-A353 VanDerWaalsContact C-N 3.29Å; N351-A353 VanDerWaalsContact OD1-CB 3.3Å; N351-A353 WeakPolarHBondContact OD1-CB 3.28Å; N351-A353 PolarHBondContact OD1-N 2.91Å; N351-A353 VanDerWaalsContact OD1-N 3.12Å
352D86.7Confident89Confident125 Ų12554.3 Ų54.367%0.66827%0.268SS*.  trans-91.914.3-179.3-59.5-44.4000112.6E354D352-E354 PolarHBondContact O-N 2.83Å
353A72.1Confident89.8Confident30 Ų3043.4 Ų43.425%0.24823%0.232CC..  trans-50126.7175.600000111.4K34 N351K34-A353 WeakPolarHBondContact CE-O 3.16Å; K34-A353 PolarHBondContact NZ-O 3.18Å; N351-A353 VanDerWaalsContact C-N 3.29Å; N351-A353 VanDerWaalsContact OD1-CB 3.3Å; N351-A353 WeakPolarHBondContact OD1-CB 3.28Å; N351-A353 PolarHBondContact OD1-N 2.91Å; N351-A353 VanDerWaalsContact OD1-N 3.12Å
354E53.9Low90.1Very high234 Ų23445.3 Ų45.3100%1.09324%0.239SC*.  trans-68.40-177.4-75.2-166.8159.300114.5K34 D352K34-E354 PolarHBondContact NZ-O 2.74Å; K34-E354 PolarHBondContact NZ-OXT 3.38Å; D352-E354 PolarHBondContact O-N 2.83Å

Retrieved 354 of 354 residues in 110.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).