A0A087YH33_POEFO Loading...

Prostaglandin reductase 2

Functions as 15-oxo-prostaglandin 13-reductase and acts on 15-keto-PGE1, 15-keto-PGE2, 15-keto-PGE1-alpha and 15-keto-PGE2-alpha with highest activity towards 15-keto-PGE2. Overexpression represses transcriptional activity of PPARG and inhibits adipocyte differentiation.

AlphaFold DB , UniProt , Accession A0A087YH33, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 347 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M93.9Very high97.5Very high71 Ų7145.1 Ų45.135%0.3522%0.217SC..  0153.7056.4176.765.800110.4V3 L30 L40 H106M1-V3 HydrophobicContact CG-CG2 3.98Å; M1-V3 HydrophobicContact SD-CG2 4.37Å; M1-L30 HydrophobicContact CG-CB 4.25Å; M1-L30 PolarHBondContact N-O 2.61Å; M1-L30 PolarHBondContact O-N 3.38Å; M1-L40 HydrophobicContact CE-CD2 3.57Å; M1-L40 HydrophobicContact SD-CD1 4.48Å; M1-L40 HydrophobicContact SD-CD2 4.43Å; M1-H106 HydrophobicContact SD-CB 4.11Å
2Q96.5Very high97.2Very high130 Ų13043.4 Ų43.461%0.60721%0.212SC*.EExtended strand (participates in β ladder)trans-76.4129.5173.4-72-65.3-20.500109.5I28Q2-I28 PolarHBondContact OE1-O 2.96Å
3V97.6Very high96.3Very high2 Ų242.5 Ų42.51%0.01222%0.22CC..EExtended strand (participates in β ladder)trans-130.7138-177.6169.70000108.9M1 Q27 I28 L30 Q104 H106M1-V3 HydrophobicContact CG-CG2 3.98Å; M1-V3 HydrophobicContact SD-CG2 4.37Å; V3-Q27 WeakPolarHBondContact O-CA 3.39Å; V3-I28 HydrophobicContact CB-CG1 4.1Å; V3-I28 HydrophobicContact CG1-CG1 4.36Å; V3-I28 PolarHBondContact N-O 3.44Å; V3-I28 PolarHBondContact O-N 3.38Å; V3-L30 HydrophobicContact CB-CB 4.22Å; V3-L30 HydrophobicContact CG2-CB 3.57Å; V3-L30 HydrophobicContact CG2-CD2 3.87Å; V3-L30 HydrophobicContact CG2-CG 4.38Å; V3-Q104 HydrophobicContact CG1-CB 4.06Å; V3-H106 WeakPolarHBondContact CG1-O 3.31Å; V3-H106 HydrophobicContact CG2-CB 3.85Å
4Q98.6Very high95.3Very high61 Ų6144.1 Ų44.129%0.28523%0.229SC..EExtended strand (participates in β ladder)trans-92.7139169-68.7175.8-63.500109.4L25 E26 Q27 Q104 T105 I322Q4-L25 HydrophobicContact CB-CD1 4.21Å; Q4-E26 CarbonylContact C-O 3.57Å; Q4-E26 WeakPolarHBondContact CA-O 2.81Å; Q4-Q27 HydrophobicContact CG-CG 4.16Å; Q4-Q104 CarbonylContact O-C 3.55Å; Q4-Q104 WeakPolarHBondContact O-CA 3.37Å; Q4-T105 HydrophobicContact CB-CG2 3.89Å; Q4-T105 PolarHBondContact N-OG1 2.85Å; Q4-T105 PolarHBondContact O-N 2.98Å; Q4-I322 HydrophobicContact CB-CD1 4.46Å; Q4-I322 HydrophobicContact CB-CG2 3.84Å; Q4-I322 WeakPolarHBondContact O-CD1 3.16Å
5R98.4Very high94.7Very high59 Ų5948.1 Ų48.122%0.22325%0.252CS..EExtended strand (participates in β ladder)trans-136.9154.8174.869174.1-172.4-172.85.1112.2V7 L25 E26 I28 W103 Q104R5-V7 HydrophobicContact CG-CG1 4.29Å; R5-L25 WeakPolarHBondContact O-CA 3.44Å; R5-E26 HydrophobicContact CG-CB 3.93Å; R5-E26 IonicContact CZ-OE2 3.29Å; R5-E26 VanDerWaalsContact CZ-OE2 3.29Å; R5-E26 PolarHBondContact N-O 2.84Å; R5-E26 IonicContact NE-OE2 2.93Å; R5-E26 PolarHBondContact NE-OE2 3.38Å; R5-E26 IonicContact NH2-OE2 2.76Å; R5-E26 PolarHBondContact NH2-OE2 3.01Å; R5-E26 PolarHBondContact O-N 3.19Å; R5-I28 HydrophobicContact CG-CG2 4.37Å; R5-W103 CarbonylContact C-O 3.52Å; R5-W103 VanDerWaalsContact CA-O 3.29Å; R5-W103 WeakPolarHBondContact CA-O 3.47Å; R5-Q104 HydrophobicContact CB-CB 4.26Å; R5-Q104 HydrophobicContact CB-CG 3.49Å; R5-Q104 VanDerWaalsContact CB-CG 3.49Å
6V98.7Very high94.3Very high5 Ų546.7 Ų46.73%0.0325%0.252CS..EExtended strand (participates in β ladder)trans-109.7124173.7-177.50000109.3F23 R24 L25 C73 A74 W103 I322 M325V6-F23 HydrophobicContact CG1-CB 3.89Å; V6-F23 HydrophobicContact CG1-CD1 4.08Å; V6-F23 HydrophobicContact CG1-CG 4.38Å; V6-R24 WeakPolarHBondContact CA-O 3.11Å; V6-L25 HydrophobicContact CG2-CD1 4.09Å; V6-C73 WeakPolarHBondContact O-CA 3.35Å; V6-C73 PolarHBondContact O-SG 2.85Å; V6-A74 PolarHBondContact O-N 2.77Å; V6-W103 HydrophobicContact CB-CB 4.07Å; V6-W103 HydrophobicContact CB-CE3 4.02Å; V6-W103 HydrophobicContact CG1-CE3 3.84Å; V6-W103 HydrophobicContact CG1-CZ3 4.34Å; V6-W103 PolarHBondContact N-O 3.09Å; V6-I322 HydrophobicContact CG2-CD1 4.37Å; V6-I322 HydrophobicContact CG2-CG1 3.75Å; V6-I322 WeakPolarHBondContact CG2-O 3.24Å; V6-M325 HydrophobicContact CG1-CB 4.38Å; V6-M325 HydrophobicContact CG2-CB 4.06Å; V6-M325 HydrophobicContact CG2-CG 4Å
7V98.6Very high94.3Very high0 Ų051.2 Ų51.20%027%0.271CS..EExtended strand (participates in β ladder)trans-108.5155.7177.9-55.50000111.3R5 N9 F23 R24 E26 E72R5-V7 HydrophobicContact CG-CG1 4.29Å; V7-N9 PolarHBondContact O-N 2.98Å; V7-F23 WeakPolarHBondContact O-CA 3.22Å; V7-R24 HydrophobicContact CG2-CB 3.9Å; V7-R24 PolarHBondContact N-O 2.59Å; V7-R24 PolarHBondContact O-N 3.47Å; V7-E26 HydrophobicContact CG1-CG 4.37Å; V7-E26 WeakPolarHBondContact CG1-OE2 3.48Å; V7-E26 HydrophobicContact CG2-CG 4.23Å; V7-E26 WeakPolarHBondContact CG2-OE1 3.47Å; V7-E72 WeakPolarHBondContact CA-O 3.44Å; V7-E72 WeakPolarHBondContact CB-O 3Å
8L98.4Very high94.3Very high0 Ų048.7 Ų48.70%026%0.258CS..EExtended strand (participates in β ladder)trans-73.8110.4166.2-176.873000109S10 R11 N22 M56 W68 L70 S71 E72L8-S10 WeakPolarHBondContact CD1-O 3.42Å; L8-R11 HydrophobicContact CD2-CG 4.41Å; L8-N22 CarbonylContact C-O 3.32Å; L8-M56 HydrophobicContact CD1-CE 3.8Å; L8-M56 HydrophobicContact CD1-CG 4.32Å; L8-W68 HydrophobicContact CB-CB 4.36Å; L8-W68 HydrophobicContact CD1-CE3 4.3Å; L8-W68 HydrophobicContact CD2-CB 3.84Å; L8-L70 HydrophobicContact CD2-CD2 4.08Å; L8-L70 HydrophobicContact CG-CD2 4.17Å; L8-S71 PolarHBondContact O-N 2.88Å; L8-E72 PolarHBondContact N-O 2.86Å; L8-E72 VanDerWaalsContact N-O 3.13Å
9N98.1Very high94.5Very high61 Ų6148.3 Ų48.333%0.32626%0.26SS..  trans-82.4-42.4-178.8-179.356.6000112.7V7 E21 N22 R24V7-N9 PolarHBondContact O-N 2.98Å; N9-E21 PolarHBondContact ND2-O 3.19Å; N9-N22 WeakPolarHBondContact CB-O 3.47Å; N9-N22 PolarHBondContact N-O 3.22Å; N9-R24 HydrophobicContact CB-CB 3.85Å; N9-R24 PolarHBondContact OD1-NH1 3.41Å
10S97.8Very high94.6Very high45 Ų4549 Ų4932%0.31527%0.267SS..  trans-151.6159.7179.3750000110.9L8 N22L8-S10 WeakPolarHBondContact CD1-O 3.42Å; S10-N22 PolarHBondContact N-O 3.11Å; S10-N22 WeakPolarHBondContact O-CB 3.31Å; S10-N22 PolarHBondContact OG-ND2 3.45Å
11R96.3Very high94.7Very high62 Ų6254 Ų5423%0.23429%0.289CS..  trans-93.5138.6174.2-57.5-171.2-178.1-74.71.2110.1L8 G13 M56 N57 W68 L70L8-R11 HydrophobicContact CD2-CG 4.41Å; R11-G13 PolarHBondContact O-N 3.26Å; R11-M56 VanDerWaalsContact CD-O 3.31Å; R11-M56 WeakPolarHBondContact CD-O 3.45Å; R11-M56 VanDerWaalsContact CG-O 3.24Å; R11-M56 WeakPolarHBondContact CG-O 3.41Å; R11-M56 VanDerWaalsContact NH1-C 3.31Å; R11-M56 PolarHBondContact NH1-O 3.21Å; R11-N57 PolarHBondContact NH1-O 3.39Å; R11-N57 VanDerWaalsContact NH1-O 3.1Å; R11-W68 PolarHBondContact NH1-O 3.11Å; R11-W68 PolarHBondContact NH2-O 3.49Å; R11-L70 HydrophobicContact CG-CD2 4.09Å
12P93.4Very high94.9Very high25 Ų2551 Ų5116%0.16227%0.274CS..  trans-74.6-4.2169.731.8-34.9000112.7G16 M56P12-G16 VanDerWaalsContact O-CA 3.27Å; P12-G16 WeakPolarHBondContact O-CA 3.42Å; P12-G16 PolarHBondContact O-N 2.77Å; P12-M56 HydrophobicContact CG-CB 4.25Å; P12-M56 HydrophobicContact CG-CE 4.05Å; P12-M56 HydrophobicContact CG-SD 4.23Å
13G85.3Confident95Very high31 Ų3145.7 Ų45.732%0.3225%0.249SC..THydrogen-bonded Turntrans74.2178.5-172.200000112.8R11 N15 R53 N57R11-G13 PolarHBondContact O-N 3.26Å; G13-N15 VanDerWaalsContact C-N 3.31Å; G13-N15 PolarHBondContact O-N 3.43Å; G13-R53 PolarHBondContact O-NH2 3Å; G13-N57 PolarHBondContact O-OD1 3.04Å
14N82.4Confident95.1Very high65 Ų6549.7 Ų49.735%0.34826%0.264SS..THydrogen-bonded Turntrans-63.1-36.7-175-65.9-3.5000112.7R53 N260 D262N14-R53 PolarHBondContact O-NH2 3.14Å; N14-N260 CarbonylContact O-C 3.59Å; N14-D262 HydrophobicContact CB-CB 4.1Å; N14-D262 PolarHBondContact ND2-OD2 3.29Å
15N86.1Confident95.1Very high105 Ų10550.2 Ų50.256%0.56127%0.268SS*.THydrogen-bonded Turntrans-106.5-7-173-63.7-50.2000114.7G13 N260 K261 D262G13-N15 VanDerWaalsContact C-N 3.31Å; G13-N15 PolarHBondContact O-N 3.43Å; N15-N260 CarbonylContact C-O 3.51Å; N15-N260 VanDerWaalsContact CA-O 3.28Å; N15-N260 WeakPolarHBondContact CA-O 3.31Å; N15-K261 WeakPolarHBondContact OD1-CA 3.28Å; N15-D262 PolarHBondContact OD1-N 3.47Å
16G89Confident95.1Very high25 Ų2549.2 Ų49.226%0.25827%0.266SS..PPolyproline II helixtrans-79.5145.3-176.900000112.5P12 R53 N260P12-G16 VanDerWaalsContact O-CA 3.27Å; P12-G16 WeakPolarHBondContact O-CA 3.42Å; P12-G16 PolarHBondContact O-N 2.77Å; G16-R53 PolarHBondContact O-NE 3.34Å; G16-R53 PolarHBondContact O-NH2 3.15Å; G16-N260 PolarHBondContact O-OD1 2.78Å
17E93.3Very high95Very high123 Ų12356 Ų5658%0.57530%0.297SS*.PPolyproline II helixtrans-70.1141.9164.5-65.7-170177.100109.9K334E17-K334 WeakPolarHBondContact OE2-CE 3.24Å; E17-K334 IonicContact OE2-NZ 3.59Å
18P95.7Very high94.9Very high7 Ų757.7 Ų57.75%0.04531%0.306CS..PPolyproline II helixtrans-66.7144.8172.229.7-34.1000110.9N22 M56 F329 C330 M333P18-N22 WeakPolarHBondContact CA-OD1 3.4Å; P18-M56 HydrophobicContact CB-CE 4.17Å; P18-M56 HydrophobicContact CB-SD 3.88Å; P18-F329 HydrophobicContact CB-CD1 4.11Å; P18-F329 HydrophobicContact CB-CE1 3.57Å; P18-F329 HydrophobicContact CG-CD1 4.26Å; P18-F329 HydrophobicContact CG-CE1 3.64Å; P18-F329 HydrophobicContact CG-CZ 4.45Å; P18-C330 PolarHBondContact O-SG 3.1Å; P18-M333 HydrophobicContact CG-CB 4.27Å; P18-M333 HydrophobicContact CG-CG 4.06Å
19S97.2Very high94.9Very high40 Ų4064 Ų6428%0.2834%0.335SS..  trans-121.8158.6171.977.10000110.7E21 N22 C330S19-E21 PolarHBondContact O-N 3.16Å; S19-E21 VanDerWaalsContact O-N 3.17Å; S19-N22 PolarHBondContact N-OD1 3.4Å; S19-N22 WeakPolarHBondContact O-CB 3.37Å; S19-N22 PolarHBondContact O-N 3.49Å; S19-N22 PolarHBondContact O-OD1 3.03Å; S19-C330 VanDerWaalsContact CA-SG 3.57Å
20P97.2Very high94.7Very high63 Ų6362.3 Ų62.341%0.40933%0.326SS..G310 helixtrans-56.8-30.4175.9-27.236.5000113.3N22 F23 V327 C330P20-N22 PolarHBondContact O-N 2.96Å; P20-F23 PolarHBondContact O-N 3.32Å; P20-V327 HydrophobicContact CB-CG2 4.3Å; P20-V327 HydrophobicContact CG-CG2 4.29Å; P20-C330 HydrophobicContact CG-CB 4.47Å; P20-C330 VanDerWaalsContact N-SG 3.43Å
21E97.1Very high94.3Very high154 Ų15464.1 Ų64.172%0.7234%0.336SS*.G310 helixtrans-67.9-15.7178.3-62.3176-172.500113.7N9 S19 F23N9-E21 PolarHBondContact ND2-O 3.19Å; S19-E21 PolarHBondContact O-N 3.16Å; S19-E21 VanDerWaalsContact O-N 3.17Å; E21-F23 PolarHBondContact O-N 2.82Å
22N98.3Very high93.6Very high9 Ų964.2 Ų64.25%0.04835%0.345CS..G310 helixtrans-67.7-11.9169.4-58.8144.1000112.2L8 N9 S10 P18 S19 P20 M56L8-N22 CarbonylContact C-O 3.32Å; N9-N22 WeakPolarHBondContact CB-O 3.47Å; N9-N22 PolarHBondContact N-O 3.22Å; S10-N22 PolarHBondContact N-O 3.11Å; S10-N22 WeakPolarHBondContact O-CB 3.31Å; S10-N22 PolarHBondContact OG-ND2 3.45Å; P18-N22 WeakPolarHBondContact CA-OD1 3.4Å; S19-N22 PolarHBondContact N-OD1 3.4Å; S19-N22 WeakPolarHBondContact O-CB 3.37Å; S19-N22 PolarHBondContact O-N 3.49Å; S19-N22 PolarHBondContact O-OD1 3.03Å; P20-N22 PolarHBondContact O-N 2.96Å; N22-M56 HydrophobicContact CB-CE 3.43Å; N22-M56 VanDerWaalsContact CB-CE 3.43Å
23F98.4Very high93.4Very high18 Ų1869.4 Ų69.48%0.07937%0.372CS..EExtended strand (participates in β ladder)trans-116.8147.7177.3-56.5-84.7000110.4V6 V7 P20 E21 M56 W68 W103 F329V6-F23 HydrophobicContact CG1-CB 3.89Å; V6-F23 HydrophobicContact CG1-CD1 4.08Å; V6-F23 HydrophobicContact CG1-CG 4.38Å; V7-F23 WeakPolarHBondContact O-CA 3.22Å; P20-F23 PolarHBondContact O-N 3.32Å; E21-F23 PolarHBondContact O-N 2.82Å; F23-M56 HydrophobicContact CE1-CE 4.45Å; F23-M56 HydrophobicContact CE2-CE 3.89Å; F23-M56 HydrophobicContact CZ-CE 3.69Å; F23-M56 HydrophobicContact CZ-SD 4.07Å; F23-W68 HydrophobicContact CE1-CE3 4.36Å; F23-W68 HydrophobicContact CE1-CH2 4.22Å; F23-W68 AromaticContact CE1-CZ3 3.61Å; F23-W68 HydrophobicContact CE1-CZ3 3.61Å; F23-W68 AromaticContact CZ-CZ3 4Å; F23-W68 HydrophobicContact CZ-CZ3 4Å; F23-W103 AromaticContact CD1-CZ3 3.87Å; F23-W103 HydrophobicContact CD1-CZ3 3.87Å; F23-W103 HydrophobicContact CE1-CH2 4.18Å; F23-W103 AromaticContact CE1-CZ3 3.64Å; F23-W103 HydrophobicContact CE1-CZ3 3.64Å; F23-W103 HydrophobicContact CZ-CZ3 4.38Å; F23-F329 AromaticContact CE2-CD1 3.66Å; F23-F329 HydrophobicContact CE2-CD1 3.66Å; F23-F329 HydrophobicContact CE2-CE1 4.28Å; F23-F329 HydrophobicContact CE2-CG 4.37Å; F23-F329 AromaticContact CZ-CD1 3.65Å; F23-F329 HydrophobicContact CZ-CD1 3.65Å; F23-F329 HydrophobicContact CZ-CE1 4.05Å; F23-F329 HydrophobicContact CZ-CG 4.18Å
24R98.3Very high93.9Very high86 Ų8668.7 Ų68.733%0.32536%0.361SS..EExtended strand (participates in β ladder)trans-133.4132.9175.3179.7177.269.2-132.73.2109.8V6 V7 N9 E26V6-R24 WeakPolarHBondContact CA-O 3.11Å; V7-R24 HydrophobicContact CG2-CB 3.9Å; V7-R24 PolarHBondContact N-O 2.59Å; V7-R24 PolarHBondContact O-N 3.47Å; N9-R24 HydrophobicContact CB-CB 3.85Å; N9-R24 PolarHBondContact OD1-NH1 3.41Å; R24-E26 HydrophobicContact CG-CG 4.45Å; R24-E26 IonicContact CZ-OE1 3.33Å; R24-E26 IonicContact NE-OE1 3.08Å; R24-E26 PolarHBondContact NE-OE1 3.19Å; R24-E26 VanDerWaalsContact NE-OE1 3.08Å; R24-E26 IonicContact NH2-OE1 2.72Å; R24-E26 PolarHBondContact NH2-OE1 3.33Å
25L98.5Very high94.6Very high71 Ų7171.8 Ų71.837%0.37237%0.373SS..EExtended strand (participates in β ladder)trans-81.2133.2171.4-173.871000109.3Q4 R5 V6 I322 E323Q4-L25 HydrophobicContact CB-CD1 4.21Å; R5-L25 WeakPolarHBondContact O-CA 3.44Å; V6-L25 HydrophobicContact CG2-CD1 4.09Å; L25-I322 HydrophobicContact CD1-CG2 3.98Å; L25-E323 HydrophobicContact CD2-CB 3.87Å
26E98.1Very high95.1Very high39 Ų3973 Ų7318%0.18238%0.38CS..EExtended strand (participates in β ladder)trans-127.7146.3176.4-63.4-177.1168.600110.3Q4 R5 V7 R24Q4-E26 CarbonylContact C-O 3.57Å; Q4-E26 WeakPolarHBondContact CA-O 2.81Å; R5-E26 HydrophobicContact CG-CB 3.93Å; R5-E26 IonicContact CZ-OE2 3.29Å; R5-E26 VanDerWaalsContact CZ-OE2 3.29Å; R5-E26 PolarHBondContact N-O 2.84Å; R5-E26 IonicContact NE-OE2 2.93Å; R5-E26 PolarHBondContact NE-OE2 3.38Å; R5-E26 IonicContact NH2-OE2 2.76Å; R5-E26 PolarHBondContact NH2-OE2 3.01Å; R5-E26 PolarHBondContact O-N 3.19Å; V7-E26 HydrophobicContact CG1-CG 4.37Å; V7-E26 WeakPolarHBondContact CG1-OE2 3.48Å; V7-E26 HydrophobicContact CG2-CG 4.23Å; V7-E26 WeakPolarHBondContact CG2-OE1 3.47Å; R24-E26 HydrophobicContact CG-CG 4.45Å; R24-E26 IonicContact CZ-OE1 3.33Å; R24-E26 IonicContact NE-OE1 3.08Å; R24-E26 PolarHBondContact NE-OE1 3.19Å; R24-E26 VanDerWaalsContact NE-OE1 3.08Å; R24-E26 IonicContact NH2-OE1 2.72Å; R24-E26 PolarHBondContact NH2-OE1 3.33Å
27Q97.8Very high95.5Very high146 Ų14673 Ų7368%0.68238%0.379SS*.EExtended strand (participates in β ladder)trans-99.9130.4164.1-72.7-173.7-4.500108.9V3 Q4V3-Q27 WeakPolarHBondContact O-CA 3.39Å; Q4-Q27 HydrophobicContact CG-CG 4.16Å
28I97.1Very high95.7Very high37 Ų3768.9 Ų68.919%0.1936%0.36CS..EExtended strand (participates in β ladder)trans-129.6156.5177.462.6159.5000110.7Q2 V3 R5Q2-I28 PolarHBondContact OE1-O 2.96Å; V3-I28 HydrophobicContact CB-CG1 4.1Å; V3-I28 HydrophobicContact CG1-CG1 4.36Å; V3-I28 PolarHBondContact N-O 3.44Å; V3-I28 PolarHBondContact O-N 3.38Å; R5-I28 HydrophobicContact CG-CG2 4.37Å
29H96.8Very high95.9Very high131 Ų13168.6 Ų68.661%0.60636%0.358SS*.EExtended strand (participates in β ladder)trans-89.6113.4165.4-165.588.9000109.3
30L94.4Very high95.9Very high26 Ų2667 Ų6714%0.13635%0.346CS..  trans-91.1122.4173.5-176.967000109.7M1 V3 L40 H106 V108M1-L30 HydrophobicContact CG-CB 4.25Å; M1-L30 PolarHBondContact N-O 2.61Å; M1-L30 PolarHBondContact O-N 3.38Å; V3-L30 HydrophobicContact CB-CB 4.22Å; V3-L30 HydrophobicContact CG2-CB 3.57Å; V3-L30 HydrophobicContact CG2-CD2 3.87Å; V3-L30 HydrophobicContact CG2-CG 4.38Å; L30-L40 HydrophobicContact CD2-CD1 3.91Å; L30-H106 HydrophobicContact CD2-CB 4.2Å; L30-V108 HydrophobicContact CD1-CG2 4.2Å; L30-V108 HydrophobicContact CD2-CG2 4.28Å; L30-V108 HydrophobicContact CG-CG2 4.33Å
31T90.6Very high96Very high84 Ų8464 Ų6452%0.51533%0.327SS..  trans-72128.5171.8-49.30000109.2D33T31-D33 VanDerWaalsContact C-N 3.34Å; T31-D33 HydrophobicContact CG2-CB 3.93Å
32S79.9Confident96Very high63 Ų6359.5 Ų59.544%0.44130%0.303SS..  trans-88.80179.750.90000113.5L34S32-L34 PolarHBondContact O-N 2.81Å; S32-L34 VanDerWaalsContact O-N 3.11Å
33D90.2Very high96.1Very high135 Ų13559 Ų5972%0.72230%0.301SS*.  trans-71.1105.1175.8-64.5-20.3000108.9T31T31-D33 VanDerWaalsContact C-N 3.34Å; T31-D33 HydrophobicContact CG2-CB 3.93Å
34L96.3Very high96.1Very high15 Ų1558.2 Ų58.28%0.07930%0.297CS..PPolyproline II helixtrans-80.9140.5-179.8-60.6179.4000110.3S32 Q38 L40 S84 R86 V108S32-L34 PolarHBondContact O-N 2.81Å; S32-L34 VanDerWaalsContact O-N 3.11Å; L34-Q38 HydrophobicContact CB-CB 4.32Å; L34-Q38 HydrophobicContact CD2-CB 4.23Å; L34-L40 HydrophobicContact CD1-CB 4.37Å; L34-L40 HydrophobicContact CD2-CB 4.1Å; L34-S84 WeakPolarHBondContact CD1-O 3.23Å; L34-R86 HydrophobicContact CB-CB 4.21Å; L34-R86 HydrophobicContact CB-CG 3.81Å; L34-R86 HydrophobicContact CD1-CG 4.44Å; L34-R86 WeakPolarHBondContact O-CD 3.46Å; L34-R86 PolarHBondContact O-NH1 3.18Å; L34-V108 HydrophobicContact CD2-CB 4.35Å; L34-V108 HydrophobicContact CD2-CG1 3.68Å; L34-V108 HydrophobicContact CD2-CG2 3.82Å
35E96.6Very high96.1Very high131 Ų13156.1 Ų56.161%0.61229%0.289SS*.PPolyproline II helixtrans-82.4169.4163.7-59.5-179.7166.200111.1G37 Q38 R86E35-G37 PolarHBondContact O-N 3.26Å; E35-Q38 HydrophobicContact CB-CG 4.17Å; E35-Q38 WeakPolarHBondContact O-CB 3.45Å; E35-Q38 PolarHBondContact O-N 3.43Å; E35-Q38 VanDerWaalsContact O-N 3.12Å; E35-Q38 PolarHBondContact OE2-NE2 2.85Å; E35-R86 VanDerWaalsContact O-CB 3.28Å; E35-R86 WeakPolarHBondContact O-CB 3.46Å
36D97.3Very high96.1Very high131 Ų13152.7 Ų52.770%0.70127%0.272SS*.THydrogen-bonded Turntrans-58.5133.6174.5-168.561.1000110.8Q38D36-Q38 VanDerWaalsContact C-N 3.27Å; D36-Q38 PolarHBondContact O-N 3.41Å
37G97.1Very high96.1Very high23 Ų2350.9 Ų50.924%0.23726%0.263CS..THydrogen-bonded Turntrans79.5-3.1-177.100000115.6E35 R86 G111E35-G37 PolarHBondContact O-N 3.26Å; G37-R86 PolarHBondContact N-O 3.39Å; G37-G111 PolarHBondContact O-N 3.31Å
38Q97.9Very high96.1Very high38 Ų3844 Ų4418%0.17823%0.231CC..EExtended strand (participates in β ladder)trans-91.5157.1175.4-67.4179.7-12.100112.6L34 E35 D36 R86 C87 V108 M109L34-Q38 HydrophobicContact CB-CB 4.32Å; L34-Q38 HydrophobicContact CD2-CB 4.23Å; E35-Q38 HydrophobicContact CB-CG 4.17Å; E35-Q38 WeakPolarHBondContact O-CB 3.45Å; E35-Q38 PolarHBondContact O-N 3.43Å; E35-Q38 VanDerWaalsContact O-N 3.12Å; E35-Q38 PolarHBondContact OE2-NE2 2.85Å; D36-Q38 VanDerWaalsContact C-N 3.27Å; D36-Q38 PolarHBondContact O-N 3.41Å; Q38-R86 CarbonylContact O-C 2.85Å; Q38-R86 PolarHBondContact O-N 3.41Å; Q38-C87 PolarHBondContact O-N 3.45Å; Q38-V108 HydrophobicContact CB-CG1 4.02Å; Q38-V108 HydrophobicContact CG-CG1 4.25Å; Q38-M109 CarbonylContact C-O 3.51Å; Q38-M109 WeakPolarHBondContact CA-O 3.23Å
39V98.1Very high96.2Very high0 Ų043.2 Ų43.20%023%0.227CC..EExtended strand (participates in β ladder)trans-133.4146.2172.1-58.70000109.9V41 V82 S84 S85 C87 L90 V108 M109 L114V39-V41 HydrophobicContact CG2-CG1 3.85Å; V39-V82 HydrophobicContact CB-CG1 4.33Å; V39-S84 CarbonylContact C-O 3.57Å; V39-S84 WeakPolarHBondContact CA-O 3.38Å; V39-S85 WeakPolarHBondContact CG1-OG 3.35Å; V39-C87 HydrophobicContact CG1-CB 3.61Å; V39-L90 HydrophobicContact CG1-CB 4.15Å; V39-L90 HydrophobicContact CG1-CD1 3.99Å; V39-L90 HydrophobicContact CG2-CD1 4.38Å; V39-V108 CarbonylContact O-C 3.57Å; V39-V108 WeakPolarHBondContact O-CA 3.34Å; V39-M109 PolarHBondContact N-O 3.29Å; V39-M109 PolarHBondContact O-N 3.38Å; V39-L114 HydrophobicContact CG2-CD1 3.26Å
40L98.3Very high96.1Very high7 Ų739 Ų394%0.03721%0.212CC..EExtended strand (participates in β ladder)trans-90.1125.1163.9177.466.2000107.7M1 L30 L34 E83 S84 H106 V108M1-L40 HydrophobicContact CE-CD2 3.57Å; M1-L40 HydrophobicContact SD-CD1 4.48Å; M1-L40 HydrophobicContact SD-CD2 4.43Å; L30-L40 HydrophobicContact CD2-CD1 3.91Å; L34-L40 HydrophobicContact CD1-CB 4.37Å; L34-L40 HydrophobicContact CD2-CB 4.1Å; L40-E83 HydrophobicContact CD2-CB 4.2Å; L40-E83 HydrophobicContact CG-CB 4.29Å; L40-E83 PolarHBondContact O-N 2.91Å; L40-S84 PolarHBondContact N-O 2.77Å; L40-S84 PolarHBondContact O-N 3.34Å; L40-H106 HydrophobicContact CD1-CB 4.45Å; L40-V108 HydrophobicContact CD1-CG2 4.12Å
41V98.3Very high96Very high0 Ų039.3 Ų39.30%021%0.211CC..EExtended strand (participates in β ladder)trans-119.2142.3176.8-69.50000110.9V39 V81 V82 V96 W101 H106 A107 M109 L114V39-V41 HydrophobicContact CG2-CG1 3.85Å; V41-V81 CarbonylContact C-O 3.44Å; V41-V81 WeakPolarHBondContact CA-O 3.28Å; V41-V82 HydrophobicContact CG1-CG2 4.12Å; V41-V96 HydrophobicContact CG1-CG2 3.87Å; V41-W101 HydrophobicContact CB-CH2 3.69Å; V41-W101 HydrophobicContact CB-CZ2 3.85Å; V41-W101 HydrophobicContact CG1-CH2 4.08Å; V41-W101 HydrophobicContact CG2-CH2 3.59Å; V41-W101 HydrophobicContact CG2-CZ2 3.46Å; V41-W101 VanDerWaalsContact CG2-CZ2 3.46Å; V41-H106 CarbonylContact O-C 3.55Å; V41-H106 WeakPolarHBondContact O-CA 3.4Å; V41-A107 HydrophobicContact CG2-CB 4.07Å; V41-A107 VanDerWaalsContact CG2-O 3.26Å; V41-A107 WeakPolarHBondContact CG2-O 3.44Å; V41-A107 PolarHBondContact N-O 3.21Å; V41-A107 PolarHBondContact O-N 3.39Å; V41-M109 HydrophobicContact CG2-CG 4.06Å; V41-M109 HydrophobicContact CG2-SD 3.69Å; V41-L114 HydrophobicContact CG1-CD1 4.14Å
42R98.6Very high96.3Very high59 Ų5935.3 Ų35.322%0.22319%0.187CC..EExtended strand (participates in β ladder)trans-96.7126.4165.9179.2169.155.883.1-4.1109.6G80 V81 E83 H106 S346 D347R42-G80 CarbonylContact O-C 3.22Å; R42-G80 WeakPolarHBondContact O-CA 2.86Å; R42-V81 PolarHBondContact N-O 3.29Å; R42-V81 PolarHBondContact O-N 3.07Å; R42-E83 HydrophobicContact CB-CG 3.84Å; R42-E83 WeakPolarHBondContact CB-OE1 3.31Å; R42-E83 WeakPolarHBondContact CD-OE1 3.42Å; R42-E83 IonicContact NE-OE1 2.84Å; R42-E83 PolarHBondContact NE-OE1 3.11Å; R42-H106 WeakPolarHBondContact CG-NE2 3.49Å; R42-S346 PolarHBondContact NH1-OG 3.06Å; R42-D347 PolarHBondContact NH1-O 3.37Å; R42-D347 PolarHBondContact NH2-O 2.74Å
43T98.8Very high97Very high0 Ų032.3 Ų32.30%017%0.166CC..EExtended strand (participates in β ladder)trans-77125.1-178.6-53.50000110.3L46 W101 Q104 T105 I345 S346T43-L46 HydrophobicContact CG2-CD1 4.36Å; T43-L46 HydrophobicContact CG2-CD2 3.7Å; T43-L46 HydrophobicContact CG2-CG 3.75Å; T43-W101 PolarHBondContact OG1-NE1 3Å; T43-Q104 WeakPolarHBondContact CB-O 3.24Å; T43-Q104 PolarHBondContact OG1-O 2.96Å; T43-T105 WeakPolarHBondContact CB-O 3.48Å; T43-T105 PolarHBondContact N-O 2.8Å; T43-T105 PolarHBondContact OG1-O 3Å; T43-I345 HydrophobicContact CG2-CB 4.14Å; T43-I345 HydrophobicContact CG2-CG1 3.84Å; T43-I345 HydrophobicContact CG2-CG2 4.39Å; T43-S346 PolarHBondContact O-OG 3.12Å
44L98.8Very high97.1Very high1 Ų126.9 Ų26.91%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-93.1-51.6173.5-62-174.6000111V79 V81 L126 I345 S346 D347L44-V79 HydrophobicContact CB-CG1 4.44Å; L44-V79 WeakPolarHBondContact CB-O 3.24Å; L44-V79 PolarHBondContact N-O 2.94Å; L44-V81 HydrophobicContact CD1-CG2 3.71Å; L44-V81 HydrophobicContact CD2-CG2 4.24Å; L44-V81 HydrophobicContact CG-CG2 4.06Å; L44-L126 HydrophobicContact CD1-CD1 3.45Å; L44-L126 VanDerWaalsContact CD1-CD1 3.45Å; L44-I345 PolarHBondContact O-N 2.7Å; L44-S346 PolarHBondContact O-N 3.37Å; L44-D347 WeakPolarHBondContact CD2-OXT 2.99Å
45Y98.9Very high97.1Very high41 Ų4126.9 Ų26.916%0.16114%0.137CC..EExtended strand (participates in β ladder)trans-139.3146.8-178.5-52.8-93.9000111.6G78 V79 L126 I342 V343 K344Y45-G78 VanDerWaalsContact O-CA 3.31Å; Y45-G78 WeakPolarHBondContact O-CA 3.43Å; Y45-V79 HydrophobicContact CD2-CG1 3.67Å; Y45-V79 HydrophobicContact CG-CG1 4.21Å; Y45-V79 PolarHBondContact N-O 2.93Å; Y45-V79 VanDerWaalsContact N-O 3.15Å; Y45-V79 PolarHBondContact O-N 2.96Å; Y45-L126 HydrophobicContact CD2-CB 4.49Å; Y45-L126 HydrophobicContact CE2-CB 4.2Å; Y45-I342 HydrophobicContact CD1-CG2 3.69Å; Y45-I342 HydrophobicContact CG-CG2 4.27Å; Y45-V343 CarbonylContact C-O 3.19Å; Y45-V343 WeakPolarHBondContact CA-O 3.44Å; Y45-K344 HydrophobicContact CD1-CB 3.81Å; Y45-K344 HydrophobicContact CD1-CG 3.93Å; Y45-K344 HydrophobicContact CE1-CB 3.79Å; Y45-K344 HydrophobicContact CE1-CD 3.85Å; Y45-K344 HydrophobicContact CE1-CG 3.55Å
46L98.9Very high97Very high0 Ų020.6 Ų20.60%011%0.108CC..EExtended strand (participates in β ladder)trans-119142.6172.2-65.9173.2000110.3T43 W101 W103 M325 V343 I345T43-L46 HydrophobicContact CG2-CD1 4.36Å; T43-L46 HydrophobicContact CG2-CD2 3.7Å; T43-L46 HydrophobicContact CG2-CG 3.75Å; L46-W101 HydrophobicContact CD2-CB 4.5Å; L46-W101 VanDerWaalsContact CD2-CD1 3.44Å; L46-W101 HydrophobicContact CD2-CG 4.16Å; L46-W103 HydrophobicContact CD1-CB 4.14Å; L46-W103 HydrophobicContact CD1-CG 4.19Å; L46-M325 HydrophobicContact CB-CE 4.05Å; L46-M325 HydrophobicContact CB-SD 3.95Å; L46-M325 HydrophobicContact CD1-CE 4.17Å; L46-M325 HydrophobicContact CD1-CG 4.48Å; L46-M325 HydrophobicContact CD1-SD 3.69Å; L46-M325 HydrophobicContact CG-SD 4.47Å; L46-V343 PolarHBondContact N-O 2.83Å; L46-V343 PolarHBondContact O-N 2.94Å; L46-I345 HydrophobicContact CD1-CD1 3.83Å; L46-I345 HydrophobicContact CD1-CG1 3.95Å; L46-I345 HydrophobicContact CG-CD1 4.29Å; L46-I345 HydrophobicContact CG-CG1 3.95Å
47S98.3Very high96.8Very high1 Ų115.2 Ų15.21%0.0078%0.079CC..EExtended strand (participates in β ladder)trans-87.8145.1175.8-173.30000110.6D49 M52 G77 K340S47-D49 PolarHBondContact OG-OD2 2.89Å; S47-M52 WeakPolarHBondContact O-CE 3.35Å; S47-G77 VanDerWaalsContact CB-O 3.24Å; S47-G77 WeakPolarHBondContact CB-O 3.18Å; S47-G77 PolarHBondContact N-O 3.26Å; S47-K340 WeakPolarHBondContact OG-CE 3.33Å; S47-K340 PolarHBondContact OG-NZ 2.71Å
48V98.1Very high96.5Very high2 Ų221.4 Ų21.41%0.01210%0.102CC..  trans-123.8114.7171.5-179.60000108.2M325 A328 F329 M332 Q341 V343V48-M325 HydrophobicContact CG2-CE 3.88Å; V48-A328 HydrophobicContact CG2-CB 4.32Å; V48-F329 VanDerWaalsContact CG1-CA 3.45Å; V48-F329 HydrophobicContact CG1-CB 3.89Å; V48-F329 HydrophobicContact CG1-CD2 3.83Å; V48-F329 HydrophobicContact CG1-CG 4.36Å; V48-M332 HydrophobicContact CG1-CB 4.37Å; V48-M332 HydrophobicContact CG1-CE 3.84Å; V48-Q341 HydrophobicContact CB-CB 4.01Å; V48-Q341 HydrophobicContact CB-CG 3.62Å; V48-Q341 HydrophobicContact CG1-CB 4.48Å; V48-Q341 HydrophobicContact CG1-CG 3.95Å; V48-Q341 HydrophobicContact CG2-CG 4.06Å; V48-Q341 PolarHBondContact N-O 2.87Å; V48-V343 HydrophobicContact CG2-CG2 3.86Å
49D97.2Very high96Very high19 Ų1925.3 Ų25.310%0.10212%0.124CC..  trans-126.7145.6-170.2-68-67.2000113.3S47 Y51 M52 K340S47-D49 PolarHBondContact OG-OD2 2.89Å; D49-Y51 VanDerWaalsContact C-N 3.31Å; D49-Y51 HydrophobicContact CB-CD1 3.44Å; D49-Y51 VanDerWaalsContact CB-CD1 3.44Å; D49-Y51 HydrophobicContact CB-CE1 3.38Å; D49-Y51 PolarHBondContact O-N 2.74Å; D49-M52 HydrophobicContact CB-CE 4.01Å; D49-M52 HydrophobicContact CB-CG 4.31Å; D49-M52 HydrophobicContact CB-SD 4.31Å; D49-M52 PolarHBondContact N-SD 3.13Å; D49-M52 VanDerWaalsContact N-SD 3.41Å; D49-M52 VanDerWaalsContact O-CB 3.28Å; D49-M52 WeakPolarHBondContact O-CB 3.48Å; D49-M52 WeakPolarHBondContact O-CG 3.2Å; D49-M52 PolarHBondContact O-N 3.34Å; D49-M52 VanDerWaalsContact O-N 3.13Å; D49-K340 IonicContact OD1-NZ 2.66Å; D49-K340 PolarHBondContact OD1-NZ 3.12Å; D49-K340 IonicContact OD2-NZ 2.8Å; D49-K340 PolarHBondContact OD2-NZ 3.02Å
50P95.5Very high95.5Very high43 Ų4326.1 Ų26.128%0.27913%0.129SC..THydrogen-bonded Turntrans-54.5-38.7179.9-30.936.5000115.4M52 R53 I256 Y259 M332P50-M52 PolarHBondContact O-N 3.09Å; P50-M52 VanDerWaalsContact O-N 3.1Å; P50-R53 WeakPolarHBondContact O-CB 3.32Å; P50-R53 PolarHBondContact O-N 3Å; P50-I256 HydrophobicContact CB-CD1 3.6Å; P50-I256 HydrophobicContact CB-CG1 4.01Å; P50-I256 HydrophobicContact CG-CD1 3.69Å; P50-Y259 HydrophobicContact CB-CD2 4.24Å; P50-Y259 HydrophobicContact CB-CE2 3.74Å; P50-M332 HydrophobicContact CB-SD 4.46Å; P50-M332 HydrophobicContact CG-CE 4.27Å; P50-M332 HydrophobicContact CG-SD 3.73Å
51Y93.4Very high94.7Very high33 Ų3328.3 Ų28.313%0.12915%0.153CC..THydrogen-bonded Turntrans-61.3-22.8-177.680.7-92.2000112.6D49 R53 C54 L65 F99D49-Y51 VanDerWaalsContact C-N 3.31Å; D49-Y51 HydrophobicContact CB-CD1 3.44Å; D49-Y51 VanDerWaalsContact CB-CD1 3.44Å; D49-Y51 HydrophobicContact CB-CE1 3.38Å; D49-Y51 PolarHBondContact O-N 2.74Å; Y51-R53 PolarHBondContact O-N 2.88Å; Y51-C54 WeakPolarHBondContact O-CB 3.14Å; Y51-C54 PolarHBondContact O-N 3.44Å; Y51-L65 HydrophobicContact CD2-CD1 3.78Å; Y51-L65 HydrophobicContact CD2-CD2 3.51Å; Y51-L65 HydrophobicContact CD2-CG 4.31Å; Y51-L65 HydrophobicContact CE2-CD2 3.67Å; Y51-L65 HydrophobicContact CG-CD1 4.45Å; Y51-F99 HydrophobicContact CE1-CE2 4.04Å; Y51-F99 AromaticContact CE1-CZ 3.87Å; Y51-F99 HydrophobicContact CE1-CZ 3.87Å; Y51-F99 HydrophobicContact CE2-CE1 4.26Å; Y51-F99 AromaticContact CE2-CZ 3.79Å; Y51-F99 HydrophobicContact CE2-CZ 3.79Å; Y51-F99 AromaticContact CZ-CE2 3.87Å; Y51-F99 AromaticContact CZ-CZ 3.35Å; Y51-F99 WeakPolarHBondContact OH-CZ 3.33Å
52M95.8Very high93.8Very high0 Ų029 Ų290%016%0.159CC..Hα-helixtrans-62.4-24.2177.9-60.8173.1176.300111.6S47 D49 P50 C54 R55 M56 W68 W103 F329S47-M52 WeakPolarHBondContact O-CE 3.35Å; D49-M52 HydrophobicContact CB-CE 4.01Å; D49-M52 HydrophobicContact CB-CG 4.31Å; D49-M52 HydrophobicContact CB-SD 4.31Å; D49-M52 PolarHBondContact N-SD 3.13Å; D49-M52 VanDerWaalsContact N-SD 3.41Å; D49-M52 VanDerWaalsContact O-CB 3.28Å; D49-M52 WeakPolarHBondContact O-CB 3.48Å; D49-M52 WeakPolarHBondContact O-CG 3.2Å; D49-M52 PolarHBondContact O-N 3.34Å; D49-M52 VanDerWaalsContact O-N 3.13Å; P50-M52 PolarHBondContact O-N 3.09Å; P50-M52 VanDerWaalsContact O-N 3.1Å; M52-C54 VanDerWaalsContact C-N 3.27Å; M52-C54 PolarHBondContact O-N 3.49Å; M52-R55 WeakPolarHBondContact O-CB 3.38Å; M52-R55 PolarHBondContact O-N 3.27Å; M52-M56 PolarHBondContact O-N 3.47Å; M52-W68 HydrophobicContact CB-CH2 3.75Å; M52-W68 HydrophobicContact CB-CZ2 4.09Å; M52-W68 HydrophobicContact CB-CZ3 4.44Å; M52-W68 HydrophobicContact CG-CH2 4.25Å; M52-W68 HydrophobicContact CG-CZ2 4.2Å; M52-W68 HydrophobicContact SD-CH2 4.29Å; M52-W68 HydrophobicContact SD-CZ2 4.36Å; M52-W103 HydrophobicContact CE-CZ2 4.41Å; M52-W103 HydrophobicContact SD-CH2 4.44Å; M52-W103 HydrophobicContact SD-CZ2 3.67Å; M52-F329 HydrophobicContact CB-CE2 3.81Å; M52-F329 HydrophobicContact CB-CZ 4.45Å
53R95.3Very high93.1Very high0 Ų035 Ų350%020%0.195CC..Hα-helixtrans-58.5-39.8172.2176.555.9-172.982.10.2112.1G13 N14 G16 P50 Y51 R55 M56 N57 N260 F329 M333G13-R53 PolarHBondContact O-NH2 3Å; N14-R53 PolarHBondContact O-NH2 3.14Å; G16-R53 PolarHBondContact O-NE 3.34Å; G16-R53 PolarHBondContact O-NH2 3.15Å; P50-R53 WeakPolarHBondContact O-CB 3.32Å; P50-R53 PolarHBondContact O-N 3Å; Y51-R53 PolarHBondContact O-N 2.88Å; R53-R55 PolarHBondContact O-N 2.84Å; R53-M56 WeakPolarHBondContact O-CB 3.45Å; R53-M56 PolarHBondContact O-N 3.31Å; R53-N57 PolarHBondContact NH1-OD1 2.83Å; R53-N260 WeakPolarHBondContact CD-OD1 3.41Å; R53-N260 PolarHBondContact NE-OD1 3.42Å; R53-F329 HydrophobicContact CB-CZ 3.98Å; R53-M333 HydrophobicContact CB-CE 3.94Å; R53-M333 HydrophobicContact CB-SD 4.15Å; R53-M333 HydrophobicContact CG-CE 3.99Å
54C92.4Very high92.3Very high21 Ų2139.9 Ų39.914%0.14221%0.214CC..Hα-helixtrans-64.5-33.6177-57.50000111.2Y51 M52 M56 N57Y51-C54 WeakPolarHBondContact O-CB 3.14Å; Y51-C54 PolarHBondContact O-N 3.44Å; M52-C54 VanDerWaalsContact C-N 3.27Å; M52-C54 PolarHBondContact O-N 3.49Å; C54-M56 PolarHBondContact O-N 3.15Å; C54-N57 WeakPolarHBondContact O-CB 3.28Å; C54-N57 PolarHBondContact O-N 3.09Å; C54-N57 VanDerWaalsContact O-N 3.14Å
55R95.2Very high91.8Very high14 Ų1440.4 Ų40.45%0.05322%0.217CC..Hα-helixtrans-69.5-16.7177.6-56.9-177.368.7-167.13.7113.4M52 R53 N57 L65 A66 P67 W68 D75M52-R55 WeakPolarHBondContact O-CB 3.38Å; M52-R55 PolarHBondContact O-N 3.27Å; R53-R55 PolarHBondContact O-N 2.84Å; R55-N57 VanDerWaalsContact C-N 3.26Å; R55-L65 HydrophobicContact CG-CB 4.43Å; R55-A66 PolarHBondContact NE-O 3.33Å; R55-P67 CarbonylContact O-C 3.58Å; R55-W68 HydrophobicContact CB-CD2 4.08Å; R55-W68 HydrophobicContact CB-CE3 4.48Å; R55-W68 HydrophobicContact CB-CG 4.13Å; R55-W68 VanDerWaalsContact CZ-CD1 3.45Å; R55-W68 VanDerWaalsContact NH1-NE1 3.1Å; R55-W68 PolarHBondContact O-N 3.32Å; R55-D75 IonicContact CZ-OD1 3.26Å; R55-D75 VanDerWaalsContact CZ-OD1 3.26Å; R55-D75 IonicContact CZ-OD2 3.69Å; R55-D75 PolarHBondContact NH1-O 2.94Å; R55-D75 IonicContact NH1-OD1 2.67Å; R55-D75 PolarHBondContact NH1-OD1 2.82Å; R55-D75 IonicContact NH1-OD2 3.73Å; R55-D75 VanDerWaalsContact NH2-CG 3.26Å; R55-D75 IonicContact NH2-OD1 2.94Å; R55-D75 PolarHBondContact NH2-OD1 3.16Å; R55-D75 IonicContact NH2-OD2 2.81Å; R55-D75 PolarHBondContact NH2-OD2 2.83Å
56M96Very high91.5Very high0 Ų041.5 Ų41.50%024%0.235CC..THydrogen-bonded Turntrans-75.9-14.8173.5-58-178.481.100112.9L8 R11 P12 P18 N22 F23 M52 R53 C54 W68 F329L8-M56 HydrophobicContact CD1-CE 3.8Å; L8-M56 HydrophobicContact CD1-CG 4.32Å; R11-M56 VanDerWaalsContact CD-O 3.31Å; R11-M56 WeakPolarHBondContact CD-O 3.45Å; R11-M56 VanDerWaalsContact CG-O 3.24Å; R11-M56 WeakPolarHBondContact CG-O 3.41Å; R11-M56 VanDerWaalsContact NH1-C 3.31Å; R11-M56 PolarHBondContact NH1-O 3.21Å; P12-M56 HydrophobicContact CG-CB 4.25Å; P12-M56 HydrophobicContact CG-CE 4.05Å; P12-M56 HydrophobicContact CG-SD 4.23Å; P18-M56 HydrophobicContact CB-CE 4.17Å; P18-M56 HydrophobicContact CB-SD 3.88Å; N22-M56 HydrophobicContact CB-CE 3.43Å; N22-M56 VanDerWaalsContact CB-CE 3.43Å; F23-M56 HydrophobicContact CE1-CE 4.45Å; F23-M56 HydrophobicContact CE2-CE 3.89Å; F23-M56 HydrophobicContact CZ-CE 3.69Å; F23-M56 HydrophobicContact CZ-SD 4.07Å; M52-M56 PolarHBondContact O-N 3.47Å; R53-M56 WeakPolarHBondContact O-CB 3.45Å; R53-M56 PolarHBondContact O-N 3.31Å; C54-M56 PolarHBondContact O-N 3.15Å; M56-W68 HydrophobicContact CG-CE3 3.93Å; M56-W68 HydrophobicContact CG-CZ3 3.94Å; M56-F329 HydrophobicContact SD-CD1 4.46Å; M56-F329 HydrophobicContact SD-CE1 3.5Å; M56-F329 VanDerWaalsContact SD-CE1 3.5Å; M56-F329 HydrophobicContact SD-CZ 3.97Å
57N92.2Very high91.3Very high17 Ų1744 Ų449%0.09125%0.251CS..SBendtrans-84.3163.7173.7-62.7-20.1000110.9R11 G13 R53 C54 R55 D59 P67R11-N57 PolarHBondContact NH1-O 3.39Å; R11-N57 VanDerWaalsContact NH1-O 3.1Å; G13-N57 PolarHBondContact O-OD1 3.04Å; R53-N57 PolarHBondContact NH1-OD1 2.83Å; C54-N57 WeakPolarHBondContact O-CB 3.28Å; C54-N57 PolarHBondContact O-N 3.09Å; C54-N57 VanDerWaalsContact O-N 3.14Å; R55-N57 VanDerWaalsContact C-N 3.26Å; N57-D59 WeakPolarHBondContact CB-O 3.39Å; N57-P67 WeakPolarHBondContact O-CB 3.3Å
58E90.6Very high91.3Very high153 Ų15344.2 Ų44.272%0.71525%0.252SS*.SBendtrans-71.2-42171.1-67-172.1155.900111.4P67E58-P67 WeakPolarHBondContact O-CG 3.29Å
59D88.6Confident91.2Very high121 Ų12150 Ų5065%0.64728%0.276SS*.SBendtrans-102.1121.9168.1-176.10.2000109.3N57 G61N57-D59 WeakPolarHBondContact CB-O 3.39Å; D59-G61 VanDerWaalsContact C-N 3.28Å; D59-G61 PolarHBondContact OD1-N 3.44Å
60T86.6Confident91.3Very high17 Ų1753.3 Ų53.310%0.10429%0.294CS..  trans-80.1-13.1179.6640000112.6A62 L65 P67T60-A62 PolarHBondContact O-N 3.11Å; T60-A62 PolarHBondContact OG1-N 2.95Å; T60-A62 PolarHBondContact OG1-O 3.38Å; T60-L65 WeakPolarHBondContact CB-O 3.25Å; T60-L65 HydrophobicContact CG2-CB 4.26Å; T60-L65 VanDerWaalsContact CG2-O 3.22Å; T60-L65 WeakPolarHBondContact CG2-O 3.45Å; T60-L65 PolarHBondContact OG1-O 3.12Å; T60-P67 HydrophobicContact CG2-CB 3.93Å
61G80.9Confident91.3Very high53 Ų5354.2 Ų54.255%0.54630%0.301SS..SBendtrans66.616.3-172.300000113.4D59D59-G61 VanDerWaalsContact C-N 3.28Å; D59-G61 PolarHBondContact OD1-N 3.44Å
62A80.5Confident91.5Very high15 Ų1557.2 Ų57.212%0.12432%0.316CS..  trans-150.2120.2-174.800000112.7T60 Y64 L65T60-A62 PolarHBondContact O-N 3.11Å; T60-A62 PolarHBondContact OG1-N 2.95Å; T60-A62 PolarHBondContact OG1-O 3.38Å; A62-Y64 HydrophobicContact CB-CD1 4Å; A62-Y64 HydrophobicContact CB-CE1 3.58Å; A62-Y64 PolarHBondContact O-N 3.26Å; A62-L65 HydrophobicContact CB-CB 4.26Å; A62-L65 HydrophobicContact CB-CD1 4.13Å; A62-L65 HydrophobicContact CB-CG 4.24Å; A62-L65 PolarHBondContact O-N 3.48Å
63D82.9Confident91.6Very high183 Ų18358.6 Ų58.698%0.97933%0.325SS*.THydrogen-bonded Turntrans-62-20.3-177.4-56.2-25.1000114.4
64Y83.1Confident91.8Very high104 Ų10458.6 Ų58.641%0.40833%0.325SS..THydrogen-bonded Turntrans-93-1.6179.965.1-87.1000113.5A62 M288 L290A62-Y64 HydrophobicContact CB-CD1 4Å; A62-Y64 HydrophobicContact CB-CE1 3.58Å; A62-Y64 PolarHBondContact O-N 3.26Å; Y64-M288 HydrophobicContact CD1-SD 4.24Å; Y64-M288 HydrophobicContact CE1-SD 3.7Å; Y64-M288 HydrophobicContact CE2-SD 4.32Å; Y64-L290 HydrophobicContact CD2-CD1 3.93Å; Y64-L290 HydrophobicContact CG-CD1 4.25Å
65L87.4Confident92Very high12 Ų1259 Ų596%0.06333%0.327CS..  trans-121.6117.6-179.6-64.1178000110.9Y51 R55 T60 A62Y51-L65 HydrophobicContact CD2-CD1 3.78Å; Y51-L65 HydrophobicContact CD2-CD2 3.51Å; Y51-L65 HydrophobicContact CD2-CG 4.31Å; Y51-L65 HydrophobicContact CE2-CD2 3.67Å; Y51-L65 HydrophobicContact CG-CD1 4.45Å; R55-L65 HydrophobicContact CG-CB 4.43Å; T60-L65 WeakPolarHBondContact CB-O 3.25Å; T60-L65 HydrophobicContact CG2-CB 4.26Å; T60-L65 VanDerWaalsContact CG2-O 3.22Å; T60-L65 WeakPolarHBondContact CG2-O 3.45Å; T60-L65 PolarHBondContact OG1-O 3.12Å; A62-L65 HydrophobicContact CB-CB 4.26Å; A62-L65 HydrophobicContact CB-CD1 4.13Å; A62-L65 HydrophobicContact CB-CG 4.24Å; A62-L65 PolarHBondContact O-N 3.48Å
66A92.8Very high92.1Very high64 Ų6458.4 Ų58.453%0.52932%0.324SS..PPolyproline II helixtrans-80140.6168.900000111R55R55-A66 PolarHBondContact NE-O 3.33Å
67P95.2Very high92.2Very high52 Ų5258.7 Ų58.734%0.33833%0.327SS..PPolyproline II helixtrans-66.3142.4174.130.1-35.8000110.1R55 N57 E58 T60R55-P67 CarbonylContact O-C 3.58Å; N57-P67 WeakPolarHBondContact O-CB 3.3Å; E58-P67 WeakPolarHBondContact O-CG 3.29Å; T60-P67 HydrophobicContact CG2-CB 3.93Å
68W97.2Very high92.5Very high6 Ų657.9 Ų57.92%0.02332%0.323CS..PPolyproline II helixtrans-65.5141.6164.8-73-27.6000109.3L8 R11 F23 M52 R55 M56 A74 D75 W103L8-W68 HydrophobicContact CB-CB 4.36Å; L8-W68 HydrophobicContact CD1-CE3 4.3Å; L8-W68 HydrophobicContact CD2-CB 3.84Å; R11-W68 PolarHBondContact NH1-O 3.11Å; R11-W68 PolarHBondContact NH2-O 3.49Å; F23-W68 HydrophobicContact CE1-CE3 4.36Å; F23-W68 HydrophobicContact CE1-CH2 4.22Å; F23-W68 AromaticContact CE1-CZ3 3.61Å; F23-W68 HydrophobicContact CE1-CZ3 3.61Å; F23-W68 AromaticContact CZ-CZ3 4Å; F23-W68 HydrophobicContact CZ-CZ3 4Å; M52-W68 HydrophobicContact CB-CH2 3.75Å; M52-W68 HydrophobicContact CB-CZ2 4.09Å; M52-W68 HydrophobicContact CB-CZ3 4.44Å; M52-W68 HydrophobicContact CG-CH2 4.25Å; M52-W68 HydrophobicContact CG-CZ2 4.2Å; M52-W68 HydrophobicContact SD-CH2 4.29Å; M52-W68 HydrophobicContact SD-CZ2 4.36Å; R55-W68 HydrophobicContact CB-CD2 4.08Å; R55-W68 HydrophobicContact CB-CE3 4.48Å; R55-W68 HydrophobicContact CB-CG 4.13Å; R55-W68 VanDerWaalsContact CZ-CD1 3.45Å; R55-W68 VanDerWaalsContact NH1-NE1 3.1Å; R55-W68 PolarHBondContact O-N 3.32Å; M56-W68 HydrophobicContact CG-CE3 3.93Å; M56-W68 HydrophobicContact CG-CZ3 3.94Å; W68-A74 HydrophobicContact CD2-CB 4.01Å; W68-A74 HydrophobicContact CE3-CB 4.27Å; W68-A74 HydrophobicContact CH2-CB 4.12Å; W68-A74 HydrophobicContact CZ2-CB 3.85Å; W68-A74 HydrophobicContact CZ3-CB 4.34Å; W68-D75 WeakPolarHBondContact CZ2-O 3.32Å; W68-D75 PolarHBondContact NE1-O 2.75Å; W68-W103 AromaticContact CH2-CH2 3.7Å; W68-W103 HydrophobicContact CH2-CH2 3.7Å; W68-W103 AromaticContact CH2-CZ2 3.87Å; W68-W103 HydrophobicContact CH2-CZ2 3.87Å; W68-W103 HydrophobicContact CH2-CZ3 4.22Å; W68-W103 HydrophobicContact CZ2-CH2 4.38Å; W68-W103 HydrophobicContact CZ2-CZ2 4.14Å
69K97.3Very high92.9Very high122 Ų12250.6 Ų50.653%0.5329%0.289SS..PPolyproline II helixtrans-96.2146.1178.4-68.3174.6-178.9173.20110.5E72K69-E72 HydrophobicContact CB-CB 4.05Å; K69-E72 HydrophobicContact CB-CG 3.89Å; K69-E72 VanDerWaalsContact CD-CD 3.41Å; K69-E72 WeakPolarHBondContact CD-OE1 3.44Å; K69-E72 WeakPolarHBondContact CD-OE2 3.37Å; K69-E72 IonicContact NZ-OE1 3.69Å; K69-E72 PolarHBondContact O-N 2.93Å
70L97.8Very high93.3Very high89 Ų8944.9 Ų44.947%0.46626%0.258SS..BIsolated β-bridgetrans-62.9137.8177.7-70.5175.9000110.7L8 R11 E72L8-L70 HydrophobicContact CD2-CD2 4.08Å; L8-L70 HydrophobicContact CG-CD2 4.17Å; R11-L70 HydrophobicContact CG-CD2 4.09Å; L70-E72 PolarHBondContact O-N 3.19Å; L70-E72 VanDerWaalsContact O-N 3.12Å
71S96.9Very high93.9Very high62 Ų6245.2 Ų45.243%0.43426%0.261SS..THydrogen-bonded Turntrans59.111.4-176.6-55.70000115.4L8L8-S71 PolarHBondContact O-N 2.88Å
72E97.4Very high94.8Very high97 Ų9742.8 Ų42.845%0.45324%0.235SC..SBendtrans-98.7156.7168.4-66.3-170.1-160.600110.6V7 L8 K69 L70 A74V7-E72 WeakPolarHBondContact CA-O 3.44Å; V7-E72 WeakPolarHBondContact CB-O 3Å; L8-E72 PolarHBondContact N-O 2.86Å; L8-E72 VanDerWaalsContact N-O 3.13Å; K69-E72 HydrophobicContact CB-CB 4.05Å; K69-E72 HydrophobicContact CB-CG 3.89Å; K69-E72 VanDerWaalsContact CD-CD 3.41Å; K69-E72 WeakPolarHBondContact CD-OE1 3.44Å; K69-E72 WeakPolarHBondContact CD-OE2 3.37Å; K69-E72 IonicContact NZ-OE1 3.69Å; K69-E72 PolarHBondContact O-N 2.93Å; L70-E72 PolarHBondContact O-N 3.19Å; L70-E72 VanDerWaalsContact O-N 3.12Å; E72-A74 PolarHBondContact O-N 3.15Å
73C97.7Very high95.6Very high28 Ų2845.2 Ų45.219%0.18924%0.244CC..BIsolated β-bridgetrans-61.1128.4177.8-167.30000110V6 Q104V6-C73 WeakPolarHBondContact O-CA 3.35Å; V6-C73 PolarHBondContact O-SG 2.85Å; C73-Q104 WeakPolarHBondContact SG-CG 3.45Å; C73-Q104 PolarHBondContact SG-NE2 3.07Å
74A98.3Very high96.3Very high0 Ų038.4 Ų38.40%021%0.211CC..PPolyproline II helixtrans-67.3158.5167.300000109.6V6 W68 E72 W103V6-A74 PolarHBondContact O-N 2.77Å; W68-A74 HydrophobicContact CD2-CB 4.01Å; W68-A74 HydrophobicContact CE3-CB 4.27Å; W68-A74 HydrophobicContact CH2-CB 4.12Å; W68-A74 HydrophobicContact CZ2-CB 3.85Å; W68-A74 HydrophobicContact CZ3-CB 4.34Å; E72-A74 PolarHBondContact O-N 3.15Å; A74-W103 HydrophobicContact CB-CD2 3.78Å; A74-W103 HydrophobicContact CB-CE3 3.58Å; A74-W103 HydrophobicContact CB-CG 4.23Å; A74-W103 HydrophobicContact CB-CZ3 4.15Å; A74-W103 WeakPolarHBondContact O-CB 3.3Å; A74-W103 PolarHBondContact O-N 3.45Å
75D97.8Very high97Very high31 Ų3135 Ų3517%0.16620%0.202CC..EExtended strand (participates in β ladder)trans-146.5158.5-179.171.472.1000111.4R55 W68 W101R55-D75 IonicContact CZ-OD1 3.26Å; R55-D75 VanDerWaalsContact CZ-OD1 3.26Å; R55-D75 IonicContact CZ-OD2 3.69Å; R55-D75 PolarHBondContact NH1-O 2.94Å; R55-D75 IonicContact NH1-OD1 2.67Å; R55-D75 PolarHBondContact NH1-OD1 2.82Å; R55-D75 IonicContact NH1-OD2 3.73Å; R55-D75 VanDerWaalsContact NH2-CG 3.26Å; R55-D75 IonicContact NH2-OD1 2.94Å; R55-D75 PolarHBondContact NH2-OD1 3.16Å; R55-D75 IonicContact NH2-OD2 2.81Å; R55-D75 PolarHBondContact NH2-OD2 2.83Å; W68-D75 WeakPolarHBondContact CZ2-O 3.32Å; W68-D75 PolarHBondContact NE1-O 2.75Å; D75-W101 CarbonylContact C-O 3.57Å; D75-W101 VanDerWaalsContact CA-O 3.24Å; D75-W101 WeakPolarHBondContact CA-O 3.07Å; D75-W101 WeakPolarHBondContact CB-O 3.32Å
76G96.9Very high97.5Very high0 Ų041 Ų410%022%0.224CC..EExtended strand (participates in β ladder)trans-174.1-161.6178.200000111.7G78 F99 W101G76-G78 PolarHBondContact O-N 3.28Å; G76-F99 CarbonylContact C-O 3.6Å; G76-F99 WeakPolarHBondContact CA-O 3.24Å; G76-F99 CarbonylContact O-C 3.5Å; G76-W101 PolarHBondContact N-O 2.93Å; G76-W101 WeakPolarHBondContact O-CA 3.37Å; G76-W101 WeakPolarHBondContact O-CB 3.22Å; G76-W101 PolarHBondContact O-N 2.84Å
77G97.8Very high97.7Very high7 Ų738.8 Ų38.87%0.07220%0.204CC..EExtended strand (participates in β ladder)trans-59.8136174.300000111.6S47 S98 F99S47-G77 VanDerWaalsContact CB-O 3.24Å; S47-G77 WeakPolarHBondContact CB-O 3.18Å; S47-G77 PolarHBondContact N-O 3.26Å; G77-S98 CarbonylContact C-O 3.52Å; G77-S98 WeakPolarHBondContact CA-O 3.39Å; G77-F99 PolarHBondContact N-O 2.84Å
78G98.5Very high97.7Very high0 Ų048.5 Ų48.50%023%0.234CC..EExtended strand (participates in β ladder)trans-155.4153.1174.700000112.9Y45 G76 T97 S98 W101Y45-G78 VanDerWaalsContact O-CA 3.31Å; Y45-G78 WeakPolarHBondContact O-CA 3.43Å; G76-G78 PolarHBondContact O-N 3.28Å; G78-T97 VanDerWaalsContact O-CA 3.27Å; G78-T97 WeakPolarHBondContact O-CA 3.28Å; G78-T97 PolarHBondContact O-OG1 3.38Å; G78-T97 VanDerWaalsContact O-OG1 3.09Å; G78-S98 PolarHBondContact N-O 2.9Å; G78-S98 PolarHBondContact O-N 2.66Å; G78-W101 VanDerWaalsContact O-CE3 3.32Å
79V98.7Very high97.6Very high0 Ų052.1 Ų52.10%027%0.265CS..EExtended strand (participates in β ladder)trans-127.2140.1175.9680000108.8L44 Y45 V95 V96 L130L44-V79 HydrophobicContact CB-CG1 4.44Å; L44-V79 WeakPolarHBondContact CB-O 3.24Å; L44-V79 PolarHBondContact N-O 2.94Å; Y45-V79 HydrophobicContact CD2-CG1 3.67Å; Y45-V79 HydrophobicContact CG-CG1 4.21Å; Y45-V79 PolarHBondContact N-O 2.93Å; Y45-V79 VanDerWaalsContact N-O 3.15Å; Y45-V79 PolarHBondContact O-N 2.96Å; V79-V95 HydrophobicContact CG2-CG1 3.8Å; V79-V96 CarbonylContact C-O 3.56Å; V79-V96 VanDerWaalsContact CA-O 3.31Å; V79-V96 WeakPolarHBondContact CA-O 3.2Å; V79-V96 WeakPolarHBondContact CG2-O 3.35Å; V79-L130 HydrophobicContact CB-CD2 4.42Å; V79-L130 HydrophobicContact CG1-CD1 4.18Å; V79-L130 HydrophobicContact CG1-CG 4.38Å
80G98.6Very high97.7Very high0 Ų046.6 Ų46.60%024%0.241CC..EExtended strand (participates in β ladder)trans-154.3179.9-176.200000112.9R42 V95 V96 W101R42-G80 CarbonylContact O-C 3.22Å; R42-G80 WeakPolarHBondContact O-CA 2.86Å; G80-V95 WeakPolarHBondContact O-CA 3.29Å; G80-V96 PolarHBondContact N-O 3.48Å; G80-V96 PolarHBondContact O-N 2.91Å; G80-W101 VanDerWaalsContact CA-CH2 3.46Å
81V98.6Very high97.7Very high25 Ų2546.3 Ų46.315%0.15224%0.243CC..EExtended strand (participates in β ladder)trans-115.9136176.5-174.20000108.9V41 R42 L44 E83 D94V41-V81 CarbonylContact C-O 3.44Å; V41-V81 WeakPolarHBondContact CA-O 3.28Å; R42-V81 PolarHBondContact N-O 3.29Å; R42-V81 PolarHBondContact O-N 3.07Å; L44-V81 HydrophobicContact CD1-CG2 3.71Å; L44-V81 HydrophobicContact CD2-CG2 4.24Å; L44-V81 HydrophobicContact CG-CG2 4.06Å; V81-E83 PolarHBondContact O-N 3.15Å; V81-D94 WeakPolarHBondContact CA-O 3.3Å
82V98.6Very high97.7Very high2 Ų249.5 Ų49.51%0.01225%0.252CS..EExtended strand (participates in β ladder)trans-68119.5172.3178.70000109.1V39 V41 L90 T91 E92 G93 D94 V96V39-V82 HydrophobicContact CB-CG1 4.33Å; V41-V82 HydrophobicContact CG1-CG2 4.12Å; V82-L90 HydrophobicContact CG2-CB 4.46Å; V82-T91 WeakPolarHBondContact CB-O 3.46Å; V82-T91 WeakPolarHBondContact CG1-O 3.48Å; V82-E92 WeakPolarHBondContact O-CA 3.29Å; V82-G93 PolarHBondContact O-N 3.35Å; V82-D94 HydrophobicContact CB-CB 4.42Å; V82-D94 HydrophobicContact CG2-CB 4.08Å; V82-D94 PolarHBondContact N-O 3.18Å; V82-V96 HydrophobicContact CG2-CG1 3.96Å; V82-V96 HydrophobicContact CG2-CG2 4.06Å
83E97.8Very high97.8Very high66 Ų6647.4 Ų47.431%0.30826%0.256SS..EExtended strand (participates in β ladder)trans-95.1-30.4174.8-70.1-167.2158.100112.4L40 R42 V81 E92 H106L40-E83 HydrophobicContact CD2-CB 4.2Å; L40-E83 HydrophobicContact CG-CB 4.29Å; L40-E83 PolarHBondContact O-N 2.91Å; R42-E83 HydrophobicContact CB-CG 3.84Å; R42-E83 WeakPolarHBondContact CB-OE1 3.31Å; R42-E83 WeakPolarHBondContact CD-OE1 3.42Å; R42-E83 IonicContact NE-OE1 2.84Å; R42-E83 PolarHBondContact NE-OE1 3.11Å; V81-E83 PolarHBondContact O-N 3.15Å; E83-E92 VanDerWaalsContact O-CD 3.22Å; E83-E92 WeakPolarHBondContact O-CG 3.05Å; E83-H106 IonicContact OE1-CD2 2.66Å; E83-H106 IonicContact OE1-NE2 3.17Å; E83-H106 PolarHBondContact OE1-NE2 2.75Å; E83-H106 IonicContact OE2-CD2 3.83Å; E83-H106 PolarHBondContact OE2-CD2 3.13Å; E83-H106 IonicContact OE2-NE2 2.68Å; E83-H106 PolarHBondContact OE2-NE2 3.32Å
84S97.8Very high97.8Very high40 Ų4047 Ų4728%0.2825%0.252SS..EExtended strand (participates in β ladder)trans-152150.9171.4-161.70000110.8L34 V39 L40 E92L34-S84 WeakPolarHBondContact CD1-O 3.23Å; V39-S84 CarbonylContact C-O 3.57Å; V39-S84 WeakPolarHBondContact CA-O 3.38Å; L40-S84 PolarHBondContact N-O 2.77Å; L40-S84 PolarHBondContact O-N 3.34Å; S84-E92 WeakPolarHBondContact CA-OE1 3.23Å; S84-E92 PolarHBondContact OG-OE1 2.96Å
85S97.9Very high97.8Very high32 Ų3248.1 Ų48.122%0.22426%0.258CS..EExtended strand (participates in β ladder)trans-140.9133.6-175.1-1770000113.3V39 C87 L90V39-S85 WeakPolarHBondContact CG1-OG 3.35Å; S85-C87 PolarHBondContact OG-N 2.85Å; S85-C87 PolarHBondContact OG-O 3.1Å; S85-L90 VanDerWaalsContact CB-O 3.23Å; S85-L90 WeakPolarHBondContact CB-O 3.31Å; S85-L90 PolarHBondContact OG-O 2.8Å
86R97.4Very high97.9Very high138 Ų13846.6 Ų46.652%0.52125%0.251SS..  trans-113.519.1158.1-70-171.672.7-177.9-1.3111.5L34 E35 G37 Q38L34-R86 HydrophobicContact CB-CB 4.21Å; L34-R86 HydrophobicContact CB-CG 3.81Å; L34-R86 HydrophobicContact CD1-CG 4.44Å; L34-R86 WeakPolarHBondContact O-CD 3.46Å; L34-R86 PolarHBondContact O-NH1 3.18Å; E35-R86 VanDerWaalsContact O-CB 3.28Å; E35-R86 WeakPolarHBondContact O-CB 3.46Å; G37-R86 PolarHBondContact N-O 3.39Å; Q38-R86 CarbonylContact O-C 2.85Å; Q38-R86 PolarHBondContact O-N 3.41Å
87C96.8Very high97.9Very high18 Ų1847.7 Ų47.712%0.12226%0.257CS..  trans-100.9128.5174.2-176.20000109.9Q38 V39 S85 A89 L90Q38-C87 PolarHBondContact O-N 3.45Å; V39-C87 HydrophobicContact CG1-CB 3.61Å; S85-C87 PolarHBondContact OG-N 2.85Å; S85-C87 PolarHBondContact OG-O 3.1Å; C87-A89 PolarHBondContact O-N 2.73Å; C87-L90 HydrophobicContact CB-CB 4.42Å; C87-L90 PolarHBondContact O-N 3.16Å
88R95.6Very high97.9Very high255 Ų25548.3 Ų48.396%0.96226%0.26SS*.THydrogen-bonded Turntrans-65.2-23.5-179.2-66-175.5-178.5-174.90.4114.2
89A96.3Very high97.7Very high82 Ų8252 Ų5268%0.67828%0.276SS*.THydrogen-bonded Turntrans-88.5-11.1-175.900000113.7C87C87-A89 PolarHBondContact O-N 2.73Å
90L98.2Very high97.5Very high6 Ų656.3 Ų56.33%0.03130%0.3CS..  trans-132.4137.2-173-63.3174.2000110V39 V82 S85 C87 V96 L114 K116V39-L90 HydrophobicContact CG1-CB 4.15Å; V39-L90 HydrophobicContact CG1-CD1 3.99Å; V39-L90 HydrophobicContact CG2-CD1 4.38Å; V82-L90 HydrophobicContact CG2-CB 4.46Å; S85-L90 VanDerWaalsContact CB-O 3.23Å; S85-L90 WeakPolarHBondContact CB-O 3.31Å; S85-L90 PolarHBondContact OG-O 2.8Å; C87-L90 HydrophobicContact CB-CB 4.42Å; C87-L90 PolarHBondContact O-N 3.16Å; L90-V96 HydrophobicContact CD1-CG1 4.35Å; L90-V96 HydrophobicContact CD2-CG1 3.75Å; L90-L114 HydrophobicContact CD1-CB 4Å; L90-L114 HydrophobicContact CD1-CD1 3.9Å; L90-K116 HydrophobicContact CD2-CB 4.02Å
91T97.9Very high97.4Very high83 Ų8356.3 Ų56.351%0.50930%0.3SS..  trans-122.7160.2177.951.50000111.2V82 G93 D94V82-T91 WeakPolarHBondContact CB-O 3.46Å; V82-T91 WeakPolarHBondContact CG1-O 3.48Å; T91-G93 PolarHBondContact O-N 3.36Å; T91-D94 PolarHBondContact N-OD2 2.68Å; T91-D94 VanDerWaalsContact O-CB 3.23Å; T91-D94 WeakPolarHBondContact O-CB 3.49Å; T91-D94 VanDerWaalsContact O-CG 3.25Å; T91-D94 PolarHBondContact O-N 3.34Å; T91-D94 VanDerWaalsContact O-N 3.08Å; T91-D94 PolarHBondContact OG1-OD1 2.66Å; T91-D94 PolarHBondContact OG1-OD2 3.35Å
92E98.3Very high97.4Very high130 Ų13056.3 Ų56.361%0.60730%0.3SS*.THydrogen-bonded Turntrans-53.4137.1174.2-62.2-177.3-176.600111.1V82 E83 S84 D94V82-E92 WeakPolarHBondContact O-CA 3.29Å; E83-E92 VanDerWaalsContact O-CD 3.22Å; E83-E92 WeakPolarHBondContact O-CG 3.05Å; S84-E92 WeakPolarHBondContact CA-OE1 3.23Å; S84-E92 PolarHBondContact OG-OE1 2.96Å; E92-D94 VanDerWaalsContact C-N 3.32Å
93G98Very high97.4Very high52 Ų5256.2 Ų56.254%0.53630%0.3SS..THydrogen-bonded Turntrans87-11-174.600000115.1V82 T91 V95V82-G93 PolarHBondContact O-N 3.35Å; T91-G93 PolarHBondContact O-N 3.36Å; G93-V95 PolarHBondContact O-N 2.95Å
94D98.4Very high97.4Very high19 Ų1954 Ų5410%0.10229%0.289CS..  trans-64.6132.2175.4-75.8-14.7000111.2V81 V82 T91 E92 V96 K116V81-D94 WeakPolarHBondContact CA-O 3.3Å; V82-D94 HydrophobicContact CB-CB 4.42Å; V82-D94 HydrophobicContact CG2-CB 4.08Å; V82-D94 PolarHBondContact N-O 3.18Å; T91-D94 PolarHBondContact N-OD2 2.68Å; T91-D94 VanDerWaalsContact O-CB 3.23Å; T91-D94 WeakPolarHBondContact O-CB 3.49Å; T91-D94 VanDerWaalsContact O-CG 3.25Å; T91-D94 PolarHBondContact O-N 3.34Å; T91-D94 VanDerWaalsContact O-N 3.08Å; T91-D94 PolarHBondContact OG1-OD1 2.66Å; T91-D94 PolarHBondContact OG1-OD2 3.35Å; E92-D94 VanDerWaalsContact C-N 3.32Å; D94-V96 HydrophobicContact CB-CG1 4.49Å; D94-K116 HydrophobicContact CB-CD 4.43Å; D94-K116 WeakPolarHBondContact OD1-CE 3.47Å; D94-K116 IonicContact OD1-NZ 2.82Å; D94-K116 PolarHBondContact OD1-NZ 3.17Å; D94-K116 WeakPolarHBondContact OD2-CE 3.2Å; D94-K116 IonicContact OD2-NZ 2.71Å; D94-K116 PolarHBondContact OD2-NZ 2.79Å
95V98.5Very high97.5Very high24 Ų2453.2 Ų53.215%0.14528%0.283CS..EExtended strand (participates in β ladder)trans-84128.4169.9-172.80000108.8V79 G80 G93 V117 L126V79-V95 HydrophobicContact CG2-CG1 3.8Å; G80-V95 WeakPolarHBondContact O-CA 3.29Å; G93-V95 PolarHBondContact O-N 2.95Å; V95-V117 HydrophobicContact CB-CG2 4.1Å; V95-V117 HydrophobicContact CG1-CG2 3.68Å; V95-V117 PolarHBondContact O-N 3.36Å; V95-L126 HydrophobicContact CG1-CD1 4.05Å; V95-L126 HydrophobicContact CG1-CD2 4.11Å; V95-L126 HydrophobicContact CG2-CD1 4.33Å
96V98.6Very high97.5Very high0 Ų053.2 Ų53.20%028%0.279CS..EExtended strand (participates in β ladder)trans-133.5149.7-174.3-69.10000111.4V41 V79 G80 V82 L90 D94 W101 L114 Q115V41-V96 HydrophobicContact CG1-CG2 3.87Å; V79-V96 CarbonylContact C-O 3.56Å; V79-V96 VanDerWaalsContact CA-O 3.31Å; V79-V96 WeakPolarHBondContact CA-O 3.2Å; V79-V96 WeakPolarHBondContact CG2-O 3.35Å; G80-V96 PolarHBondContact N-O 3.48Å; G80-V96 PolarHBondContact O-N 2.91Å; V82-V96 HydrophobicContact CG2-CG1 3.96Å; V82-V96 HydrophobicContact CG2-CG2 4.06Å; L90-V96 HydrophobicContact CD1-CG1 4.35Å; L90-V96 HydrophobicContact CD2-CG1 3.75Å; D94-V96 HydrophobicContact CB-CG1 4.49Å; V96-W101 HydrophobicContact CG2-CH2 3.99Å; V96-W101 HydrophobicContact CG2-CZ3 3.97Å; V96-L114 HydrophobicContact CB-CB 4.27Å; V96-L114 HydrophobicContact CB-CD2 4.3Å; V96-L114 HydrophobicContact CG1-CB 4.42Å; V96-L114 HydrophobicContact CG2-CD1 4.26Å; V96-L114 HydrophobicContact CG2-CD2 4.18Å; V96-Q115 CarbonylContact C-O 3.58Å; V96-Q115 VanDerWaalsContact CA-O 3.24Å; V96-Q115 WeakPolarHBondContact CA-O 3.44Å
97T98.2Very high97.5Very high23 Ų2346.8 Ų46.814%0.14126%0.255CS..EExtended strand (participates in β ladder)trans-127.8154.8175.3-172.50000111.6G78 Q115 V117G78-T97 VanDerWaalsContact O-CA 3.27Å; G78-T97 WeakPolarHBondContact O-CA 3.28Å; G78-T97 PolarHBondContact O-OG1 3.38Å; G78-T97 VanDerWaalsContact O-OG1 3.09Å; T97-Q115 HydrophobicContact CG2-CB 3.89Å; T97-Q115 PolarHBondContact N-O 2.93Å; T97-Q115 PolarHBondContact O-N 2.92Å; T97-V117 HydrophobicContact CG2-CG1 3.59Å
98S97Very high97.5Very high20 Ų2048 Ų4814%0.1426%0.262CS..EExtended strand (participates in β ladder)trans-149.6153.1170.6-166.30000111.6G77 G78 N100 G113G77-S98 CarbonylContact C-O 3.52Å; G77-S98 WeakPolarHBondContact CA-O 3.39Å; G78-S98 PolarHBondContact N-O 2.9Å; G78-S98 PolarHBondContact O-N 2.66Å; S98-N100 PolarHBondContact OG-N 3.02Å; S98-G113 PolarHBondContact OG-O 2.92Å; S98-G113 VanDerWaalsContact OG-O 3.13Å
99F93.8Very high97.6Very high76 Ų7636.9 Ų36.933%0.33322%0.222SC..EExtended strand (participates in β ladder)trans-78.1-22.2171.4-173.9-100.6000113.1Y51 G76 G77 M135Y51-F99 HydrophobicContact CE1-CE2 4.04Å; Y51-F99 AromaticContact CE1-CZ 3.87Å; Y51-F99 HydrophobicContact CE1-CZ 3.87Å; Y51-F99 HydrophobicContact CE2-CE1 4.26Å; Y51-F99 AromaticContact CE2-CZ 3.79Å; Y51-F99 HydrophobicContact CE2-CZ 3.79Å; Y51-F99 AromaticContact CZ-CE2 3.87Å; Y51-F99 AromaticContact CZ-CZ 3.35Å; Y51-F99 WeakPolarHBondContact OH-CZ 3.33Å; G76-F99 CarbonylContact C-O 3.6Å; G76-F99 WeakPolarHBondContact CA-O 3.24Å; G76-F99 CarbonylContact O-C 3.5Å; G77-F99 PolarHBondContact N-O 2.84Å; F99-M135 HydrophobicContact CD2-CG 4.28Å
100N94.8Very high97.6Very high92 Ų9237.6 Ų37.649%0.49222%0.217SC..EExtended strand (participates in β ladder)trans-117.347.8-178.6-59.2-45000110.3S98S98-N100 PolarHBondContact OG-N 3.02Å
101W98.1Very high97.5Very high0 Ų037.5 Ų37.50%022%0.217CC..EExtended strand (participates in β ladder)trans-76.6122.1175.5-163.2-73.1000110.1V41 T43 L46 D75 G76 G78 G80 V96 M109 L114V41-W101 HydrophobicContact CB-CH2 3.69Å; V41-W101 HydrophobicContact CB-CZ2 3.85Å; V41-W101 HydrophobicContact CG1-CH2 4.08Å; V41-W101 HydrophobicContact CG2-CH2 3.59Å; V41-W101 HydrophobicContact CG2-CZ2 3.46Å; V41-W101 VanDerWaalsContact CG2-CZ2 3.46Å; T43-W101 PolarHBondContact OG1-NE1 3Å; L46-W101 HydrophobicContact CD2-CB 4.5Å; L46-W101 VanDerWaalsContact CD2-CD1 3.44Å; L46-W101 HydrophobicContact CD2-CG 4.16Å; D75-W101 CarbonylContact C-O 3.57Å; D75-W101 VanDerWaalsContact CA-O 3.24Å; D75-W101 WeakPolarHBondContact CA-O 3.07Å; D75-W101 WeakPolarHBondContact CB-O 3.32Å; G76-W101 PolarHBondContact N-O 2.93Å; G76-W101 WeakPolarHBondContact O-CA 3.37Å; G76-W101 WeakPolarHBondContact O-CB 3.22Å; G76-W101 PolarHBondContact O-N 2.84Å; G78-W101 VanDerWaalsContact O-CE3 3.32Å; G80-W101 VanDerWaalsContact CA-CH2 3.46Å; V96-W101 HydrophobicContact CG2-CH2 3.99Å; V96-W101 HydrophobicContact CG2-CZ3 3.97Å; W101-M109 HydrophobicContact CD2-SD 4.07Å; W101-M109 HydrophobicContact CE3-CE 4.34Å; W101-M109 HydrophobicContact CE3-SD 4.1Å; W101-M109 HydrophobicContact CH2-SD 4.49Å; W101-M109 HydrophobicContact CZ2-SD 4.48Å; W101-M109 HydrophobicContact CZ3-SD 4.32Å; W101-L114 HydrophobicContact CE3-CD2 4.15Å; W101-L114 HydrophobicContact CZ3-CD2 3.73Å
102P98.2Very high97.3Very high25 Ų2537 Ų3716%0.16223%0.229CC..EExtended strand (participates in β ladder)trans-68.5139.2-178.432.2-37.2000110.1Q104 A107P102-Q104 HydrophobicContact CB-CG 4.02Å; P102-Q104 HydrophobicContact CG-CG 4.43Å; P102-Q104 PolarHBondContact O-N 2.8Å; P102-A107 HydrophobicContact CG-CB 3.52Å
103W98.5Very high97Very high0 Ų033 Ų330%022%0.222CC..SBendtrans-70.476.9178.4-69.62.7000110.9R5 V6 F23 L46 M52 W68 A74 M325R5-W103 CarbonylContact C-O 3.52Å; R5-W103 VanDerWaalsContact CA-O 3.29Å; R5-W103 WeakPolarHBondContact CA-O 3.47Å; V6-W103 HydrophobicContact CB-CB 4.07Å; V6-W103 HydrophobicContact CB-CE3 4.02Å; V6-W103 HydrophobicContact CG1-CE3 3.84Å; V6-W103 HydrophobicContact CG1-CZ3 4.34Å; V6-W103 PolarHBondContact N-O 3.09Å; F23-W103 AromaticContact CD1-CZ3 3.87Å; F23-W103 HydrophobicContact CD1-CZ3 3.87Å; F23-W103 HydrophobicContact CE1-CH2 4.18Å; F23-W103 AromaticContact CE1-CZ3 3.64Å; F23-W103 HydrophobicContact CE1-CZ3 3.64Å; F23-W103 HydrophobicContact CZ-CZ3 4.38Å; L46-W103 HydrophobicContact CD1-CB 4.14Å; L46-W103 HydrophobicContact CD1-CG 4.19Å; M52-W103 HydrophobicContact CE-CZ2 4.41Å; M52-W103 HydrophobicContact SD-CH2 4.44Å; M52-W103 HydrophobicContact SD-CZ2 3.67Å; W68-W103 AromaticContact CH2-CH2 3.7Å; W68-W103 HydrophobicContact CH2-CH2 3.7Å; W68-W103 AromaticContact CH2-CZ2 3.87Å; W68-W103 HydrophobicContact CH2-CZ2 3.87Å; W68-W103 HydrophobicContact CH2-CZ3 4.22Å; W68-W103 HydrophobicContact CZ2-CH2 4.38Å; W68-W103 HydrophobicContact CZ2-CZ2 4.14Å; A74-W103 HydrophobicContact CB-CD2 3.78Å; A74-W103 HydrophobicContact CB-CE3 3.58Å; A74-W103 HydrophobicContact CB-CG 4.23Å; A74-W103 HydrophobicContact CB-CZ3 4.15Å; A74-W103 WeakPolarHBondContact O-CB 3.3Å; A74-W103 PolarHBondContact O-N 3.45Å; W103-M325 HydrophobicContact CD2-CE 3.4Å; W103-M325 HydrophobicContact CE3-CB 3.92Å; W103-M325 HydrophobicContact CE3-CE 3.7Å; W103-M325 HydrophobicContact CE3-CG 4.24Å; W103-M325 HydrophobicContact CG-CE 3.93Å; W103-M325 HydrophobicContact CH2-CE 3.69Å; W103-M325 HydrophobicContact CZ2-CE 3.37Å; W103-M325 HydrophobicContact CZ3-CB 3.93Å; W103-M325 HydrophobicContact CZ3-CE 3.84Å
104Q98.2Very high97Very high18 Ų1831 Ų318%0.08420%0.199CC..BIsolated β-bridgetrans-143.2156.3-174.8-51.1-163.5-11.500111.1V3 Q4 R5 T43 C73 P102 H106 I322V3-Q104 HydrophobicContact CG1-CB 4.06Å; Q4-Q104 CarbonylContact O-C 3.55Å; Q4-Q104 WeakPolarHBondContact O-CA 3.37Å; R5-Q104 HydrophobicContact CB-CB 4.26Å; R5-Q104 HydrophobicContact CB-CG 3.49Å; R5-Q104 VanDerWaalsContact CB-CG 3.49Å; T43-Q104 WeakPolarHBondContact CB-O 3.24Å; T43-Q104 PolarHBondContact OG1-O 2.96Å; C73-Q104 WeakPolarHBondContact SG-CG 3.45Å; C73-Q104 PolarHBondContact SG-NE2 3.07Å; P102-Q104 HydrophobicContact CB-CG 4.02Å; P102-Q104 HydrophobicContact CG-CG 4.43Å; P102-Q104 PolarHBondContact O-N 2.8Å; Q104-H106 WeakPolarHBondContact CB-O 3.19Å; Q104-H106 PolarHBondContact OE1-O 3.39Å; Q104-I322 VanDerWaalsContact CA-CD1 3.48Å
105T98.6Very high96.9Very high24 Ų2436.3 Ų36.315%0.14722%0.224CC..SBendtrans-70.7-34.9175.355.50000112.6Q4 T43 I322 I345Q4-T105 HydrophobicContact CB-CG2 3.89Å; Q4-T105 PolarHBondContact N-OG1 2.85Å; Q4-T105 PolarHBondContact O-N 2.98Å; T43-T105 WeakPolarHBondContact CB-O 3.48Å; T43-T105 PolarHBondContact N-O 2.8Å; T43-T105 PolarHBondContact OG1-O 3Å; T105-I322 HydrophobicContact CG2-CB 4.47Å; T105-I322 HydrophobicContact CG2-CD1 4.08Å; T105-I322 HydrophobicContact CG2-CG2 4.09Å; T105-I345 HydrophobicContact CG2-CG2 3.91Å
106H98.4Very high96.8Very high33 Ų3340.7 Ų40.715%0.15324%0.241CC..EExtended strand (participates in β ladder)trans-140.5150.5174.3-67.175.3000109.1M1 V3 L30 L40 V41 R42 E83 Q104M1-H106 HydrophobicContact SD-CB 4.11Å; V3-H106 WeakPolarHBondContact CG1-O 3.31Å; V3-H106 HydrophobicContact CG2-CB 3.85Å; L30-H106 HydrophobicContact CD2-CB 4.2Å; L40-H106 HydrophobicContact CD1-CB 4.45Å; V41-H106 CarbonylContact O-C 3.55Å; V41-H106 WeakPolarHBondContact O-CA 3.4Å; R42-H106 WeakPolarHBondContact CG-NE2 3.49Å; E83-H106 IonicContact OE1-CD2 2.66Å; E83-H106 IonicContact OE1-NE2 3.17Å; E83-H106 PolarHBondContact OE1-NE2 2.75Å; E83-H106 IonicContact OE2-CD2 3.83Å; E83-H106 PolarHBondContact OE2-CD2 3.13Å; E83-H106 IonicContact OE2-NE2 2.68Å; E83-H106 PolarHBondContact OE2-NE2 3.32Å; Q104-H106 WeakPolarHBondContact CB-O 3.19Å; Q104-H106 PolarHBondContact OE1-O 3.39Å
107A97.3Very high96.7Very high2 Ų241.9 Ų41.92%0.01725%0.248CC..EExtended strand (participates in β ladder)trans-144.8144.3178.400000111.5V41 P102 M109V41-A107 HydrophobicContact CG2-CB 4.07Å; V41-A107 VanDerWaalsContact CG2-O 3.26Å; V41-A107 WeakPolarHBondContact CG2-O 3.44Å; V41-A107 PolarHBondContact N-O 3.21Å; V41-A107 PolarHBondContact O-N 3.39Å; P102-A107 HydrophobicContact CG-CB 3.52Å; A107-M109 HydrophobicContact CB-CG 3.93Å; A107-M109 HydrophobicContact CB-SD 4.27Å
108V97.4Very high96.6Very high44 Ų4444.8 Ų44.827%0.26726%0.262SS..EExtended strand (participates in β ladder)trans-88.5121.7161.6175.40000107.5L30 L34 Q38 V39 L40L30-V108 HydrophobicContact CD1-CG2 4.2Å; L30-V108 HydrophobicContact CD2-CG2 4.28Å; L30-V108 HydrophobicContact CG-CG2 4.33Å; L34-V108 HydrophobicContact CD2-CB 4.35Å; L34-V108 HydrophobicContact CD2-CG1 3.68Å; L34-V108 HydrophobicContact CD2-CG2 3.82Å; Q38-V108 HydrophobicContact CB-CG1 4.02Å; Q38-V108 HydrophobicContact CG-CG1 4.25Å; V39-V108 CarbonylContact O-C 3.57Å; V39-V108 WeakPolarHBondContact O-CA 3.34Å; L40-V108 HydrophobicContact CD1-CG2 4.12Å
109M97.1Very high96.6Very high22 Ų2246 Ų4611%0.10827%0.271CS..EExtended strand (participates in β ladder)trans-129.4151-175.8-64-17771.500110.8Q38 V39 V41 W101 A107 G111 L114Q38-M109 CarbonylContact C-O 3.51Å; Q38-M109 WeakPolarHBondContact CA-O 3.23Å; V39-M109 PolarHBondContact N-O 3.29Å; V39-M109 PolarHBondContact O-N 3.38Å; V41-M109 HydrophobicContact CG2-CG 4.06Å; V41-M109 HydrophobicContact CG2-SD 3.69Å; W101-M109 HydrophobicContact CD2-SD 4.07Å; W101-M109 HydrophobicContact CE3-CE 4.34Å; W101-M109 HydrophobicContact CE3-SD 4.1Å; W101-M109 HydrophobicContact CH2-SD 4.49Å; W101-M109 HydrophobicContact CZ2-SD 4.48Å; W101-M109 HydrophobicContact CZ3-SD 4.32Å; A107-M109 HydrophobicContact CB-CG 3.93Å; A107-M109 HydrophobicContact CB-SD 4.27Å; M109-G111 PolarHBondContact O-N 3.35Å; M109-L114 HydrophobicContact CB-CD1 4.2Å; M109-L114 HydrophobicContact CE-CD2 3.79Å; M109-L114 HydrophobicContact SD-CD2 4.01Å
110V97.2Very high96.7Very high96 Ų9648.8 Ų48.858%0.58229%0.285SS*.EExtended strand (participates in β ladder)trans-73.6120.3172.11790000108.6G112 G113V110-G112 PolarHBondContact O-N 3.34Å; V110-G112 VanDerWaalsContact O-N 3.17Å; V110-G113 PolarHBondContact O-N 3.34Å
111G95Very high96.8Very high4 Ų446.7 Ų46.74%0.04127%0.273CS..G310 helixtrans-59.2-31-173.500000114.1G37 M109 G113 L114G37-G111 PolarHBondContact O-N 3.31Å; M109-G111 PolarHBondContact O-N 3.35Å; G111-G113 PolarHBondContact O-N 2.83Å; G111-L114 PolarHBondContact O-N 3.47Å; G111-L114 VanDerWaalsContact O-N 3.09Å
112G93.8Very high96.7Very high72 Ų7246.8 Ų46.874%0.74227%0.274SS*.G310 helixtrans-65.1-17.1175.400000114.8V110V110-G112 PolarHBondContact O-N 3.34Å; V110-G112 VanDerWaalsContact O-N 3.17Å
113G91.7Very high96.6Very high46 Ų4649.9 Ų49.947%0.47429%0.289SS..G310 helixtrans-93.13.2174.700000114.3S98 V110 G111S98-G113 PolarHBondContact OG-O 2.92Å; S98-G113 VanDerWaalsContact OG-O 3.13Å; V110-G113 PolarHBondContact O-N 3.34Å; G111-G113 PolarHBondContact O-N 2.83Å
114L97.5Very high96.4Very high11 Ų1152.2 Ų52.26%0.05831%0.313CS..  trans-107.6142.7179.7-68.8170000110.5V39 V41 L90 V96 W101 M109 G111V39-L114 HydrophobicContact CG2-CD1 3.26Å; V41-L114 HydrophobicContact CG1-CD1 4.14Å; L90-L114 HydrophobicContact CD1-CB 4Å; L90-L114 HydrophobicContact CD1-CD1 3.9Å; V96-L114 HydrophobicContact CB-CB 4.27Å; V96-L114 HydrophobicContact CB-CD2 4.3Å; V96-L114 HydrophobicContact CG1-CB 4.42Å; V96-L114 HydrophobicContact CG2-CD1 4.26Å; V96-L114 HydrophobicContact CG2-CD2 4.18Å; W101-L114 HydrophobicContact CE3-CD2 4.15Å; W101-L114 HydrophobicContact CZ3-CD2 3.73Å; M109-L114 HydrophobicContact CB-CD1 4.2Å; M109-L114 HydrophobicContact CE-CD2 3.79Å; M109-L114 HydrophobicContact SD-CD2 4.01Å; G111-L114 PolarHBondContact O-N 3.47Å; G111-L114 VanDerWaalsContact O-N 3.09Å
115Q96.6Very high96.4Very high131 Ų13156.2 Ų56.261%0.61233%0.331SS*.EExtended strand (participates in β ladder)trans-106.8117.6173.2-66.6-72.5-52.600108.1V96 T97V96-Q115 CarbonylContact C-O 3.58Å; V96-Q115 VanDerWaalsContact CA-O 3.24Å; V96-Q115 WeakPolarHBondContact CA-O 3.44Å; T97-Q115 HydrophobicContact CG2-CB 3.89Å; T97-Q115 PolarHBondContact N-O 2.93Å; T97-Q115 PolarHBondContact O-N 2.92Å
116K97.5Very high96.3Very high116 Ų11656.2 Ų56.250%0.50433%0.33SS..EExtended strand (participates in β ladder)trans-68.2132.3170-177.4173.7-178.8158.70109L90 D94L90-K116 HydrophobicContact CD2-CB 4.02Å; D94-K116 HydrophobicContact CB-CD 4.43Å; D94-K116 WeakPolarHBondContact OD1-CE 3.47Å; D94-K116 IonicContact OD1-NZ 2.82Å; D94-K116 PolarHBondContact OD1-NZ 3.17Å; D94-K116 WeakPolarHBondContact OD2-CE 3.2Å; D94-K116 IonicContact OD2-NZ 2.71Å; D94-K116 PolarHBondContact OD2-NZ 2.79Å
117V96.8Very high96.3Very high25 Ų2555 Ų5515%0.15233%0.325CS..  trans-122.7146.5-179.4-670000110.9V95 T97 F129V95-V117 HydrophobicContact CB-CG2 4.1Å; V95-V117 HydrophobicContact CG1-CG2 3.68Å; V95-V117 PolarHBondContact O-N 3.36Å; T97-V117 HydrophobicContact CG2-CG1 3.59Å; V117-F129 HydrophobicContact CB-CD1 4.26Å; V117-F129 HydrophobicContact CB-CD2 4.29Å; V117-F129 HydrophobicContact CB-CE1 3.93Å; V117-F129 HydrophobicContact CB-CE2 3.95Å; V117-F129 HydrophobicContact CB-CG 4.44Å; V117-F129 HydrophobicContact CB-CZ 3.78Å; V117-F129 HydrophobicContact CG1-CD1 4.14Å; V117-F129 HydrophobicContact CG1-CE1 4.19Å; V117-F129 HydrophobicContact CG1-CG 4.43Å; V117-F129 HydrophobicContact CG2-CD2 3.83Å; V117-F129 HydrophobicContact CG2-CE2 3.69Å; V117-F129 HydrophobicContact CG2-CG 4.31Å; V117-F129 HydrophobicContact CG2-CZ 4.06Å
118D96.1Very high96.4Very high83 Ų8356.6 Ų56.644%0.44433%0.331SS..  trans-92.2112.5174.9-178.4-0.9000110.3Q120 M121 F129D118-Q120 PolarHBondContact O-N 2.71Å; D118-Q120 WeakPolarHBondContact OD1-CB 3.22Å; D118-Q120 WeakPolarHBondContact OD1-CG 3.47Å; D118-Q120 PolarHBondContact OD1-N 2.78Å; D118-M121 HydrophobicContact CB-CG 4.37Å; D118-M121 WeakPolarHBondContact O-CB 3.09Å; D118-M121 PolarHBondContact O-N 2.88Å; D118-F129 WeakPolarHBondContact O-CZ 3.19Å
119S95.4Very high96.5Very high47 Ų4755.2 Ų55.233%0.32932%0.322SS..G310 helixtrans-50.1-25.8176.165.30000114.6M121 V122 D123 G124S119-M121 PolarHBondContact O-N 2.78Å; S119-V122 WeakPolarHBondContact O-CG2 3.38Å; S119-V122 PolarHBondContact O-N 2.85Å; S119-D123 PolarHBondContact O-N 3.44Å; S119-G124 PolarHBondContact O-N 2.86Å
120Q96.4Very high96.5Very high133 Ų13354.6 Ų54.662%0.62132%0.319SS*.G310 helixtrans-69.3-19.2177.5-61.5-171.6-0.800113.4D118 V122 K308D118-Q120 PolarHBondContact O-N 2.71Å; D118-Q120 WeakPolarHBondContact OD1-CB 3.22Å; D118-Q120 WeakPolarHBondContact OD1-CG 3.47Å; D118-Q120 PolarHBondContact OD1-N 2.78Å; Q120-V122 PolarHBondContact O-N 3.19Å; Q120-K308 PolarHBondContact O-NZ 3.26Å
121M96.3Very high96.6Very high49 Ų4950.1 Ų50.124%0.24129%0.292CS..G310 helixtrans-65.5-21.4173.4-72.2-175.654.500112.6D118 S119 F129 V133 L300 S304D118-M121 HydrophobicContact CB-CG 4.37Å; D118-M121 WeakPolarHBondContact O-CB 3.09Å; D118-M121 PolarHBondContact O-N 2.88Å; S119-M121 PolarHBondContact O-N 2.78Å; M121-F129 HydrophobicContact CB-CE1 4.12Å; M121-F129 HydrophobicContact CB-CZ 4.09Å; M121-F129 HydrophobicContact SD-CE1 4.5Å; M121-V133 HydrophobicContact CE-CG1 3.79Å; M121-L300 HydrophobicContact CE-CB 4.4Å; M121-S304 WeakPolarHBondContact CA-OG 2.92Å; M121-S304 VanDerWaalsContact O-CB 3.3Å; M121-S304 WeakPolarHBondContact O-CB 3.42Å; M121-S304 PolarHBondContact O-OG 2.97Å
122V97Very high96.7Very high1 Ų150 Ų501%0.00629%0.291CS..G310 helixtrans-127.118.6-175.3-63.90000111.9S119 Q120 G124 H125 L126 Y128 F129 V133S119-V122 WeakPolarHBondContact O-CG2 3.38Å; S119-V122 PolarHBondContact O-N 2.85Å; Q120-V122 PolarHBondContact O-N 3.19Å; V122-G124 PolarHBondContact O-N 3.43Å; V122-G124 VanDerWaalsContact O-N 3.12Å; V122-H125 VanDerWaalsContact CG2-O 3.29Å; V122-H125 WeakPolarHBondContact CG2-O 3.21Å; V122-H125 VanDerWaalsContact O-CB 3.29Å; V122-H125 WeakPolarHBondContact O-CB 3.46Å; V122-H125 PolarHBondContact O-CD2 3.49Å; V122-H125 PolarHBondContact O-N 3.39Å; V122-L126 HydrophobicContact CG2-CD2 4.37Å; V122-Y128 HydrophobicContact CB-CD2 4.33Å; V122-F129 HydrophobicContact CB-CE2 4.45Å; V122-F129 HydrophobicContact CB-CZ 4.38Å; V122-F129 HydrophobicContact CG1-CD1 4.2Å; V122-F129 HydrophobicContact CG1-CD2 4.48Å; V122-F129 HydrophobicContact CG1-CE1 3.84Å; V122-F129 HydrophobicContact CG1-CE2 4.15Å; V122-F129 HydrophobicContact CG1-CG 4.5Å; V122-F129 HydrophobicContact CG1-CZ 3.8Å; V122-F129 HydrophobicContact CG2-CD2 4.08Å; V122-F129 HydrophobicContact CG2-CE2 3.42Å; V122-F129 VanDerWaalsContact CG2-CE2 3.42Å; V122-F129 HydrophobicContact CG2-CZ 3.67Å; V122-V133 HydrophobicContact CG1-CB 3.82Å; V122-V133 HydrophobicContact CG1-CG1 4.24Å; V122-V133 HydrophobicContact CG1-CG2 3.79Å
123D95.3Very high96.9Very high90 Ų9046.8 Ų46.848%0.48126%0.257SS..THydrogen-bonded Turntrans48.539.1-176.7-67.4-21.8000113.2S119 H125 K308S119-D123 PolarHBondContact O-N 3.44Å; D123-H125 VanDerWaalsContact C-N 3.28Å; D123-H125 PolarHBondContact O-N 3.09Å; D123-K308 WeakPolarHBondContact OD1-CE 3.4Å; D123-K308 IonicContact OD1-NZ 3.39Å; D123-K308 PolarHBondContact OD1-NZ 3.36Å; D123-K308 WeakPolarHBondContact OD2-CG 3.49Å
124G94.8Very high97.2Very high49 Ų4944.9 Ų44.951%0.50524%0.237SC..THydrogen-bonded Turntrans81.2-5.8-178.500000115.3S119 V122 L126S119-G124 PolarHBondContact O-N 2.86Å; V122-G124 PolarHBondContact O-N 3.43Å; V122-G124 VanDerWaalsContact O-N 3.12Å; G124-L126 VanDerWaalsContact C-N 3.28Å; G124-L126 PolarHBondContact O-N 3.31Å
125H97.3Very high97.1Very high103 Ų10347 Ų4748%0.47725%0.247SC..  trans-77.272.4174.4-62.8-78.5000111.7V122 D123 S127 Y128V122-H125 VanDerWaalsContact CG2-O 3.29Å; V122-H125 WeakPolarHBondContact CG2-O 3.21Å; V122-H125 VanDerWaalsContact O-CB 3.29Å; V122-H125 WeakPolarHBondContact O-CB 3.46Å; V122-H125 PolarHBondContact O-CD2 3.49Å; V122-H125 PolarHBondContact O-N 3.39Å; D123-H125 VanDerWaalsContact C-N 3.28Å; D123-H125 PolarHBondContact O-N 3.09Å; H125-S127 PolarHBondContact O-N 2.84Å; H125-S127 VanDerWaalsContact O-N 3.08Å; H125-Y128 HydrophobicContact CB-CD1 4.04Å; H125-Y128 HydrophobicContact CB-CD2 3.71Å; H125-Y128 HydrophobicContact CB-CE1 4.05Å; H125-Y128 HydrophobicContact CB-CE2 3.74Å; H125-Y128 HydrophobicContact CB-CG 3.88Å; H125-Y128 VanDerWaalsContact O-CB 3.29Å; H125-Y128 WeakPolarHBondContact O-CB 3.21Å; H125-Y128 PolarHBondContact O-N 2.87Å
126L98.2Very high97.1Very high23 Ų2341.3 Ų41.312%0.1222%0.222CC..G310 helixtrans-58.2-26.9-171.5-59.5-176.6000114.6L44 Y45 V95 V122 G124 Y128 F129L44-L126 HydrophobicContact CD1-CD1 3.45Å; L44-L126 VanDerWaalsContact CD1-CD1 3.45Å; Y45-L126 HydrophobicContact CD2-CB 4.49Å; Y45-L126 HydrophobicContact CE2-CB 4.2Å; V95-L126 HydrophobicContact CG1-CD1 4.05Å; V95-L126 HydrophobicContact CG1-CD2 4.11Å; V95-L126 HydrophobicContact CG2-CD1 4.33Å; V122-L126 HydrophobicContact CG2-CD2 4.37Å; G124-L126 VanDerWaalsContact C-N 3.28Å; G124-L126 PolarHBondContact O-N 3.31Å; L126-Y128 PolarHBondContact O-N 2.78Å; L126-F129 HydrophobicContact CD2-CD2 4.43Å; L126-F129 HydrophobicContact CD2-CE2 4Å; L126-F129 WeakPolarHBondContact O-CD2 3.42Å; L126-F129 PolarHBondContact O-N 2.73Å
127S98.4Very high97.1Very high7 Ų735.8 Ų35.85%0.04920%0.198CC..G310 helixtrans-59.2-26.217453.10000113H125 F129 L130 E316H125-S127 PolarHBondContact O-N 2.84Å; H125-S127 VanDerWaalsContact O-N 3.08Å; S127-F129 PolarHBondContact O-N 2.94Å; S127-F129 VanDerWaalsContact O-N 3.16Å; S127-L130 WeakPolarHBondContact O-CB 3.43Å; S127-L130 PolarHBondContact O-N 3.29Å; S127-E316 WeakPolarHBondContact CB-OE1 3.38Å; S127-E316 WeakPolarHBondContact CB-OE2 3.39Å; S127-E316 PolarHBondContact OG-OE1 3.36Å; S127-E316 PolarHBondContact OG-OE2 3.33Å
128Y98.6Very high97.2Very high37 Ų3734.8 Ų34.815%0.14519%0.191CC..G310 helixtrans-65.2-21.6-178.2-69.64.3000112.9V122 H125 L126 L130 G131 A132 V133 V307 V314 E316V122-Y128 HydrophobicContact CB-CD2 4.33Å; H125-Y128 HydrophobicContact CB-CD1 4.04Å; H125-Y128 HydrophobicContact CB-CD2 3.71Å; H125-Y128 HydrophobicContact CB-CE1 4.05Å; H125-Y128 HydrophobicContact CB-CE2 3.74Å; H125-Y128 HydrophobicContact CB-CG 3.88Å; H125-Y128 VanDerWaalsContact O-CB 3.29Å; H125-Y128 WeakPolarHBondContact O-CB 3.21Å; H125-Y128 PolarHBondContact O-N 2.87Å; L126-Y128 PolarHBondContact O-N 2.78Å; Y128-L130 PolarHBondContact O-N 3.03Å; Y128-G131 CarbonylContact O-C 3.37Å; Y128-G131 VanDerWaalsContact O-C 3.32Å; Y128-G131 PolarHBondContact O-N 2.86Å; Y128-A132 PolarHBondContact O-N 2.91Å; Y128-V133 CarbonylContact O-C 3.54Å; Y128-V133 PolarHBondContact O-N 2.82Å; Y128-V307 HydrophobicContact CD2-CG1 3.89Å; Y128-V307 HydrophobicContact CE2-CG1 3.83Å; Y128-V314 HydrophobicContact CD1-CG1 3.87Å; Y128-V314 HydrophobicContact CD2-CG2 4.22Å; Y128-V314 HydrophobicContact CE1-CB 3.98Å; Y128-V314 HydrophobicContact CE1-CG1 3.6Å; Y128-V314 HydrophobicContact CE2-CB 4.07Å; Y128-V314 HydrophobicContact CE2-CG1 4.41Å; Y128-V314 HydrophobicContact CE2-CG2 3.91Å; Y128-V314 HydrophobicContact CG-CG1 4.39Å; Y128-E316 HydrophobicContact CE1-CG 4.25Å; Y128-E316 WeakPolarHBondContact CE1-OE2 3.45Å
129F98.5Very high97.3Very high14 Ų1431.7 Ų31.76%0.06118%0.175CC..G310 helixtrans-65.7-19.5170.9-68.2-60.2000113.6V117 D118 M121 V122 L126 S127 G131 V133 G134V117-F129 HydrophobicContact CB-CD1 4.26Å; V117-F129 HydrophobicContact CB-CD2 4.29Å; V117-F129 HydrophobicContact CB-CE1 3.93Å; V117-F129 HydrophobicContact CB-CE2 3.95Å; V117-F129 HydrophobicContact CB-CG 4.44Å; V117-F129 HydrophobicContact CB-CZ 3.78Å; V117-F129 HydrophobicContact CG1-CD1 4.14Å; V117-F129 HydrophobicContact CG1-CE1 4.19Å; V117-F129 HydrophobicContact CG1-CG 4.43Å; V117-F129 HydrophobicContact CG2-CD2 3.83Å; V117-F129 HydrophobicContact CG2-CE2 3.69Å; V117-F129 HydrophobicContact CG2-CG 4.31Å; V117-F129 HydrophobicContact CG2-CZ 4.06Å; D118-F129 WeakPolarHBondContact O-CZ 3.19Å; M121-F129 HydrophobicContact CB-CE1 4.12Å; M121-F129 HydrophobicContact CB-CZ 4.09Å; M121-F129 HydrophobicContact SD-CE1 4.5Å; V122-F129 HydrophobicContact CB-CE2 4.45Å; V122-F129 HydrophobicContact CB-CZ 4.38Å; V122-F129 HydrophobicContact CG1-CD1 4.2Å; V122-F129 HydrophobicContact CG1-CD2 4.48Å; V122-F129 HydrophobicContact CG1-CE1 3.84Å; V122-F129 HydrophobicContact CG1-CE2 4.15Å; V122-F129 HydrophobicContact CG1-CG 4.5Å; V122-F129 HydrophobicContact CG1-CZ 3.8Å; V122-F129 HydrophobicContact CG2-CD2 4.08Å; V122-F129 HydrophobicContact CG2-CE2 3.42Å; V122-F129 VanDerWaalsContact CG2-CE2 3.42Å; V122-F129 HydrophobicContact CG2-CZ 3.67Å; L126-F129 HydrophobicContact CD2-CD2 4.43Å; L126-F129 HydrophobicContact CD2-CE2 4Å; L126-F129 WeakPolarHBondContact O-CD2 3.42Å; L126-F129 PolarHBondContact O-N 2.73Å; S127-F129 PolarHBondContact O-N 2.94Å; S127-F129 VanDerWaalsContact O-N 3.16Å; F129-G131 VanDerWaalsContact C-N 3.33Å; F129-V133 HydrophobicContact CE1-CG1 4.44Å; F129-G134 VanDerWaalsContact O-CA 3.32Å; F129-G134 WeakPolarHBondContact O-CA 3.29Å
130L98.4Very high97.4Very high10 Ų1029.4 Ų29.45%0.05216%0.16CC..G310 helixtrans-90.8-3.5174-54.5-177.6000112.3V79 S127 Y128 K340 I342V79-L130 HydrophobicContact CB-CD2 4.42Å; V79-L130 HydrophobicContact CG1-CD1 4.18Å; V79-L130 HydrophobicContact CG1-CG 4.38Å; S127-L130 WeakPolarHBondContact O-CB 3.43Å; S127-L130 PolarHBondContact O-N 3.29Å; Y128-L130 PolarHBondContact O-N 3.03Å; L130-K340 WeakPolarHBondContact O-CE 3.33Å; L130-K340 PolarHBondContact O-NZ 3.23Å; L130-I342 HydrophobicContact CB-CD1 3.89Å; L130-I342 HydrophobicContact CD1-CD1 4.17Å
131G97.9Very high97.5Very high2 Ų223.1 Ų23.12%0.02113%0.13CC..THydrogen-bonded Turntrans-136.8-109.2-16700000112.3Y128 F129 V133 G134 T136 G137Y128-G131 CarbonylContact O-C 3.37Å; Y128-G131 VanDerWaalsContact O-C 3.32Å; Y128-G131 PolarHBondContact O-N 2.86Å; F129-G131 VanDerWaalsContact C-N 3.33Å; G131-V133 PolarHBondContact O-N 3.15Å; G131-G134 PolarHBondContact O-N 3.42Å; G131-T136 WeakPolarHBondContact CA-OG1 3.25Å; G131-T136 PolarHBondContact O-OG1 3.06Å; G131-G137 PolarHBondContact O-N 3.13Å
132A98Very high97.6Very high2 Ų221.3 Ų21.32%0.01712%0.121CC..THydrogen-bonded Turntrans-65.4-32.8-170.800000114.6Y128 G137 L170 V307 V314Y128-A132 PolarHBondContact O-N 2.91Å; A132-G137 WeakPolarHBondContact O-CA 3.29Å; A132-L170 HydrophobicContact CB-CD1 4.06Å; A132-L170 HydrophobicContact CB-CD2 4.14Å; A132-V307 HydrophobicContact CB-CG2 4.1Å; A132-V314 HydrophobicContact CB-CB 4.31Å; A132-V314 HydrophobicContact CB-CG1 3.89Å; A132-V314 HydrophobicContact CB-CG2 3.44Å; A132-V314 VanDerWaalsContact CB-CG2 3.44Å
133V98.1Very high97.7Very high3 Ų321.2 Ų21.22%0.01812%0.121CC..THydrogen-bonded Turntrans-111.445.4175-166.30000108.6M121 V122 Y128 F129 G131 L300 V307M121-V133 HydrophobicContact CE-CG1 3.79Å; V122-V133 HydrophobicContact CG1-CB 3.82Å; V122-V133 HydrophobicContact CG1-CG1 4.24Å; V122-V133 HydrophobicContact CG1-CG2 3.79Å; Y128-V133 CarbonylContact O-C 3.54Å; Y128-V133 PolarHBondContact O-N 2.82Å; F129-V133 HydrophobicContact CE1-CG1 4.44Å; G131-V133 PolarHBondContact O-N 3.15Å; V133-L300 HydrophobicContact CG1-CD2 4.32Å; V133-L300 WeakPolarHBondContact O-CD2 3.29Å; V133-V307 HydrophobicContact CG2-CG2 4.24Å
134G97.2Very high97.8Very high6 Ų617 Ų176%0.06210%0.098CC..SBendtrans-153.4-158.8-177.500000111.9F129 G131 T136 G137 L138F129-G134 VanDerWaalsContact O-CA 3.32Å; F129-G134 WeakPolarHBondContact O-CA 3.29Å; G131-G134 PolarHBondContact O-N 3.42Å; G134-T136 VanDerWaalsContact C-N 3.31Å; G134-T136 PolarHBondContact O-N 2.86Å; G134-G137 PolarHBondContact O-N 2.89Å; G134-G137 VanDerWaalsContact O-N 3.14Å; G134-L138 WeakPolarHBondContact O-CG 3.44Å; G134-L138 PolarHBondContact O-N 3.45Å
135M95.6Very high98Very high56 Ų5619 Ų1928%0.2769%0.091SC..Hα-helixtrans-56.8-38.5-174.3-72.5-57.8-64.500113.9F99 L138 T139 V289 L290F99-M135 HydrophobicContact CD2-CG 4.28Å; M135-L138 HydrophobicContact SD-CD1 4.35Å; M135-T139 WeakPolarHBondContact O-CB 3.4Å; M135-T139 PolarHBondContact O-N 3.26Å; M135-T139 PolarHBondContact O-OG1 3.12Å; M135-V289 HydrophobicContact CE-CG1 3.48Å; M135-V289 VanDerWaalsContact CE-CG1 3.48Å; M135-V289 HydrophobicContact CE-CG2 4.46Å; M135-L290 HydrophobicContact CE-CD2 3.77Å
136T96.4Very high98Very high12 Ų1216.9 Ų16.97%0.0748%0.081CC..Hα-helixtrans-73.3-36.4179.552.60000112.4G131 G134 T139 A140 A166 C167G131-T136 WeakPolarHBondContact CA-OG1 3.25Å; G131-T136 PolarHBondContact O-OG1 3.06Å; G134-T136 VanDerWaalsContact C-N 3.31Å; G134-T136 PolarHBondContact O-N 2.86Å; T136-T139 PolarHBondContact O-N 3.4Å; T136-A140 PolarHBondContact O-N 2.8Å; T136-A166 HydrophobicContact CG2-CB 3.9Å; T136-C167 VanDerWaalsContact CB-SG 3.58Å
137G98.3Very high97.9Very high0 Ų017.5 Ų17.50%08%0.083CC..Hα-helixtrans-65.9-44.3172.700000112.3G131 A132 G134 T139 A140 L141G131-G137 PolarHBondContact O-N 3.13Å; A132-G137 WeakPolarHBondContact O-CA 3.29Å; G134-G137 PolarHBondContact O-N 2.89Å; G134-G137 VanDerWaalsContact O-N 3.14Å; G137-T139 VanDerWaalsContact C-N 3.28Å; G137-T139 PolarHBondContact O-N 2.98Å; G137-A140 PolarHBondContact O-N 2.88Å; G137-L141 PolarHBondContact O-N 2.92Å
138L98.3Very high97.8Very high4 Ų417.2 Ų17.22%0.0218%0.08CC..Hα-helixtrans-57.2-44.2172.7-76.1178.7000111.7G134 M135 A140 L141 L142 V289 A296 A299 L300 L303G134-L138 WeakPolarHBondContact O-CG 3.44Å; G134-L138 PolarHBondContact O-N 3.45Å; M135-L138 HydrophobicContact SD-CD1 4.35Å; L138-A140 VanDerWaalsContact C-N 3.3Å; L138-A140 PolarHBondContact O-N 2.77Å; L138-L141 PolarHBondContact O-N 3.13Å; L138-L142 HydrophobicContact CD2-CD1 4.24Å; L138-L142 VanDerWaalsContact O-CB 3.3Å; L138-L142 WeakPolarHBondContact O-CB 3.45Å; L138-L142 PolarHBondContact O-N 2.83Å; L138-V289 HydrophobicContact CB-CG2 3.74Å; L138-A296 HydrophobicContact CD1-CB 3.83Å; L138-A296 HydrophobicContact CD2-CB 4.33Å; L138-A299 HydrophobicContact CD2-CB 3.4Å; L138-L300 HydrophobicContact CD1-CD1 4.29Å; L138-L300 HydrophobicContact CD1-CD2 4.02Å; L138-L300 HydrophobicContact CD1-CG 4.03Å; L138-L300 HydrophobicContact CD2-CD2 4.07Å; L138-L300 HydrophobicContact CD2-CG 3.9Å; L138-L300 HydrophobicContact CG-CD2 3.76Å; L138-L300 HydrophobicContact CG-CG 4.01Å; L138-L303 HydrophobicContact CD2-CD1 4.43Å
139T98.3Very high97.7Very high17 Ų1720 Ų2010%0.1049%0.094CC..Hα-helixtrans-59.9-43.4178.6-60.30000111.3M135 T136 G137 G143 C253 F287M135-T139 WeakPolarHBondContact O-CB 3.4Å; M135-T139 PolarHBondContact O-N 3.26Å; M135-T139 PolarHBondContact O-OG1 3.12Å; T136-T139 PolarHBondContact O-N 3.4Å; G137-T139 VanDerWaalsContact C-N 3.28Å; G137-T139 PolarHBondContact O-N 2.98Å; T139-G143 WeakPolarHBondContact O-CA 3.48Å; T139-G143 PolarHBondContact O-N 2.89Å; T139-C253 WeakPolarHBondContact CG2-SG 3.29Å; T139-F287 HydrophobicContact CG2-CD1 4.32Å; T139-F287 HydrophobicContact CG2-CE1 4.08Å; T139-F287 WeakPolarHBondContact O-CE1 3.41Å
140A98.6Very high97.6Very high0 Ų020.8 Ų20.80%010%0.101CC..Hα-helixtrans-67.2-52.8177.500000112.2T136 G137 L138 G143 V144 L170 A171 I174T136-A140 PolarHBondContact O-N 2.8Å; G137-A140 PolarHBondContact O-N 2.88Å; L138-A140 VanDerWaalsContact C-N 3.3Å; L138-A140 PolarHBondContact O-N 2.77Å; A140-G143 PolarHBondContact O-N 3.34Å; A140-V144 VanDerWaalsContact O-CG2 3.29Å; A140-V144 WeakPolarHBondContact O-CG2 3.42Å; A140-V144 PolarHBondContact O-N 3.15Å; A140-L170 HydrophobicContact CB-CB 3.66Å; A140-A171 HydrophobicContact CB-CB 4.05Å; A140-I174 HydrophobicContact CB-CD1 3.88Å
141L98.7Very high97.5Very high1 Ų124.3 Ų24.31%0.00512%0.122CC..Hα-helixtrans-63.5-53.3-175.2-168.778.8000112.2G137 L138 R145 I174 A299 L303G137-L141 PolarHBondContact O-N 2.92Å; L138-L141 PolarHBondContact O-N 3.13Å; L141-R145 WeakPolarHBondContact O-CB 3.27Å; L141-R145 WeakPolarHBondContact O-CG 3.29Å; L141-R145 PolarHBondContact O-N 3.06Å; L141-I174 HydrophobicContact CB-CD1 3.97Å; L141-I174 HydrophobicContact CD1-CD1 3.85Å; L141-I174 HydrophobicContact CD1-CG1 4Å; L141-I174 HydrophobicContact CD1-CG2 3.86Å; L141-A299 HydrophobicContact CD2-CB 3.72Å; L141-L303 HydrophobicContact CB-CD1 4.35Å; L141-L303 HydrophobicContact CB-CD2 4.32Å; L141-L303 HydrophobicContact CB-CG 4.49Å; L141-L303 HydrophobicContact CD1-CD2 4.44Å; L141-L303 HydrophobicContact CD2-CD1 4.42Å; L141-L303 HydrophobicContact CD2-CG 4.18Å
142L98.5Very high97.3Very high10 Ų1031.7 Ų31.75%0.05215%0.154CC..Hα-helixtrans-72.1-34.7-178.3-62.6175.2000110.6L138 V144 R145 E146 F287 K295 A299L138-L142 HydrophobicContact CD2-CD1 4.24Å; L138-L142 VanDerWaalsContact O-CB 3.3Å; L138-L142 WeakPolarHBondContact O-CB 3.45Å; L138-L142 PolarHBondContact O-N 2.83Å; L142-V144 PolarHBondContact O-N 2.94Å; L142-R145 PolarHBondContact O-N 3.36Å; L142-E146 HydrophobicContact CB-CG 4.35Å; L142-E146 WeakPolarHBondContact O-CB 3.22Å; L142-E146 WeakPolarHBondContact O-CG 3.37Å; L142-E146 PolarHBondContact O-N 3.46Å; L142-F287 HydrophobicContact CB-CE2 4.21Å; L142-F287 HydrophobicContact CB-CZ 3.71Å; L142-K295 HydrophobicContact CD1-CB 4.36Å; L142-K295 HydrophobicContact CD2-CB 4.09Å; L142-K295 HydrophobicContact CD2-CD 4.33Å; L142-A299 HydrophobicContact CD1-CB 4.47Å; L142-A299 HydrophobicContact CD2-CB 4.15Å; L142-A299 HydrophobicContact CG-CB 4.31Å
143G98.1Very high97Very high0 Ų034.9 Ų34.90%019%0.187CC..Hα-helixtrans-58.7-49.7174.700000112T139 A140 K147 I251 F287T139-G143 WeakPolarHBondContact O-CA 3.48Å; T139-G143 PolarHBondContact O-N 2.89Å; A140-G143 PolarHBondContact O-N 3.34Å; G143-K147 WeakPolarHBondContact O-CB 3.21Å; G143-K147 PolarHBondContact O-N 3.45Å; G143-I251 WeakPolarHBondContact O-CD1 3.45Å; G143-F287 VanDerWaalsContact N-CZ 3.28Å
144V98.3Very high96.9Very high0 Ų037.4 Ų37.40%021%0.208CC..Hα-helixtrans-64.1-45177.9174.40000111.7A140 L142 G148 V150 M158 A171 I174 F229 I251A140-V144 VanDerWaalsContact O-CG2 3.29Å; A140-V144 WeakPolarHBondContact O-CG2 3.42Å; A140-V144 PolarHBondContact O-N 3.15Å; L142-V144 PolarHBondContact O-N 2.94Å; V144-G148 WeakPolarHBondContact O-CA 3.1Å; V144-G148 PolarHBondContact O-N 3.5Å; V144-V150 HydrophobicContact CG1-CG2 4.09Å; V144-M158 HydrophobicContact CG1-CE 4.13Å; V144-M158 HydrophobicContact CG2-CE 3.84Å; V144-A171 HydrophobicContact CG2-CB 4.09Å; V144-I174 HydrophobicContact CB-CG2 3.98Å; V144-I174 HydrophobicContact CG1-CG2 4Å; V144-I174 HydrophobicContact CG2-CG2 4.35Å; V144-F229 HydrophobicContact CG2-CD2 3.86Å; V144-F229 HydrophobicContact CG2-CE2 4.06Å; V144-I251 HydrophobicContact CG2-CD1 4.44Å
145R97.4Very high96.7Very high93 Ų9342.9 Ų42.935%0.35124%0.236SC..Hα-helixtrans-80.1-31.2-172.8-70.5179176.5176.5-0.7114.8L141 L142 D178 E302L141-R145 WeakPolarHBondContact O-CB 3.27Å; L141-R145 WeakPolarHBondContact O-CG 3.29Å; L141-R145 PolarHBondContact O-N 3.06Å; L142-R145 PolarHBondContact O-N 3.36Å; R145-D178 WeakPolarHBondContact CG-OD2 3.49Å; R145-D178 IonicContact CZ-OD1 3.79Å; R145-D178 IonicContact CZ-OD2 3.4Å; R145-D178 IonicContact NE-OD1 2.72Å; R145-D178 PolarHBondContact NE-OD1 3.34Å; R145-D178 IonicContact NE-OD2 3.2Å; R145-D178 PolarHBondContact NE-OD2 3.19Å; R145-D178 IonicContact NH2-OD1 3.17Å; R145-D178 PolarHBondContact NH2-OD1 3.25Å; R145-D178 IonicContact NH2-OD2 2.62Å; R145-E302 IonicContact CZ-OE1 2.61Å; R145-E302 IonicContact CZ-OE2 3.25Å; R145-E302 IonicContact NH1-OE1 2.69Å; R145-E302 PolarHBondContact NH1-OE1 3.14Å; R145-E302 IonicContact NH1-OE2 2.66Å; R145-E302 PolarHBondContact NH1-OE2 2.86Å; R145-E302 IonicContact NH2-OE1 3.77Å; R145-E302 PolarHBondContact NH2-OE1 2.64Å
146E97.5Very high96.9Very high57 Ų5741.3 Ų41.327%0.26623%0.228SC..Hα-helixtrans-88.7-23.3-178.1-58.4-68.5141.500112.5L142 Y292 K295L142-E146 HydrophobicContact CB-CG 4.35Å; L142-E146 WeakPolarHBondContact O-CB 3.22Å; L142-E146 WeakPolarHBondContact O-CG 3.37Å; L142-E146 PolarHBondContact O-N 3.46Å; E146-Y292 HydrophobicContact CB-CE1 3.94Å; E146-Y292 HydrophobicContact CG-CD1 3.92Å; E146-Y292 HydrophobicContact CG-CE1 3.63Å; E146-Y292 WeakPolarHBondContact OE2-CE1 3.18Å; E146-K295 IonicContact OE1-NZ 3.84Å; E146-K295 PolarHBondContact OE1-NZ 2.92Å; E146-K295 IonicContact OE2-NZ 3.96Å; E146-K295 PolarHBondContact OE2-NZ 3.2Å
147K97.3Very high97Very high37 Ų3741.1 Ų41.116%0.16123%0.227CC..Hα-helixtrans-132.3-11.6-172.2-59.2-63.9174.1-169.90114.9G143 H149 I251 E285 F287 Y292G143-K147 WeakPolarHBondContact O-CB 3.21Å; G143-K147 PolarHBondContact O-N 3.45Å; K147-H149 PolarHBondContact O-CD2 2.97Å; K147-I251 HydrophobicContact CB-CB 4.46Å; K147-I251 HydrophobicContact CB-CG1 3.89Å; K147-I251 HydrophobicContact CB-CG2 4.15Å; K147-E285 HydrophobicContact CD-CB 4.04Å; K147-E285 WeakPolarHBondContact CD-OE2 3.21Å; K147-E285 WeakPolarHBondContact CE-OE2 3.38Å; K147-E285 IonicContact NZ-OE2 3.18Å; K147-E285 PolarHBondContact NZ-OE2 3.42Å; K147-F287 HydrophobicContact CG-CB 4.45Å; K147-F287 HydrophobicContact CG-CD2 3.94Å; K147-Y292 VanDerWaalsContact CE-OH 3.24Å; K147-Y292 WeakPolarHBondContact CE-OH 3.49Å
148G96.3Very high97Very high0 Ų041.1 Ų41.10%023%0.227CC..SBendtrans-86.7-18.6-178.100000114.9V144 V150 V227V144-G148 WeakPolarHBondContact O-CA 3.1Å; V144-G148 PolarHBondContact O-N 3.5Å; G148-V150 PolarHBondContact O-N 2.68Å; G148-V150 VanDerWaalsContact O-N 3.11Å; G148-V227 WeakPolarHBondContact O-CG2 3.42Å
149H96.2Very high97Very high95 Ų9540.9 Ų40.944%0.4423%0.226SC..  trans48.439.6179.8-62.9-96000113.8K147 T151 Q156 H249K147-H149 PolarHBondContact O-CD2 2.97Å; H149-T151 PolarHBondContact O-N 2.83Å; H149-Q156 PolarHBondContact O-NE2 2.87Å; H149-H249 WeakPolarHBondContact CB-NE2 3.3Å; H149-H249 AromaticContact CD2-CE1 3.25Å; H149-H249 PolarHBondContact CD2-CE1 3.38Å; H149-H249 AromaticContact CD2-CG 3.72Å; H149-H249 AromaticContact CD2-ND1 3.19Å; H149-H249 PolarHBondContact CD2-ND1 2.9Å; H149-H249 AromaticContact CD2-NE2 3.77Å; H149-H249 AromaticContact CG-CE1 3.49Å; H149-H249 VanDerWaalsContact CG-CE1 3.49Å; H149-H249 AromaticContact CG-ND1 3.84Å; H149-H249 AromaticContact CG-NE2 3.6Å; H149-H249 AromaticContact NE2-CE1 3.82Å; H149-H249 AromaticContact NE2-ND1 3.85Å
150V96.7Very high97.1Very high32 Ų3240.1 Ų40.119%0.19422%0.221CC..  trans-68.8124.4178.9-178.50000109.5V144 G148 D178 V227V144-V150 HydrophobicContact CG1-CG2 4.09Å; G148-V150 PolarHBondContact O-N 2.68Å; G148-V150 VanDerWaalsContact O-N 3.11Å; V150-D178 HydrophobicContact CB-CB 4.39Å; V150-D178 HydrophobicContact CG1-CB 4.14Å; V150-V227 HydrophobicContact CG2-CG2 4.38Å
151T95.4Very high97.1Very high83 Ų8340.1 Ų40.151%0.50922%0.221SC..  trans-116117-179.9-59.40000109.8H149 G153 A154H149-T151 PolarHBondContact O-N 2.83Å; T151-G153 PolarHBondContact O-N 3.29Å; T151-A154 HydrophobicContact CG2-CB 4.15Å; T151-A154 VanDerWaalsContact O-CB 3.3Å; T151-A154 WeakPolarHBondContact O-CB 3.4Å; T151-A154 PolarHBondContact O-N 3.01Å; T151-A154 VanDerWaalsContact O-N 3.12Å
152K94.2Very high97Very high157 Ų15741.4 Ų41.468%0.68323%0.234SC*.THydrogen-bonded Turntrans-57.8130.6177.6-70.1-176.1177.7-178.80110.9A154 D178K152-A154 VanDerWaalsContact C-N 3.29Å; K152-A154 PolarHBondContact O-N 3.39Å; K152-D178 VanDerWaalsContact CE-O 3.24Å; K152-D178 WeakPolarHBondContact CE-O 3.29Å; K152-D178 WeakPolarHBondContact CG-O 3.46Å
153G92.6Very high97Very high69 Ų6940.9 Ų40.971%0.71123%0.232SC*.THydrogen-bonded Turntrans83.4-5.318000000115.2T151 N155T151-G153 PolarHBondContact O-N 3.29Å; G153-N155 PolarHBondContact O-N 3.12Å
154A94.1Very high97.1Very high56 Ų5641 Ų4146%0.46323%0.233SC..SBendtrans-78.1-0.3175.900000113.6T151 K152 Q156T151-A154 HydrophobicContact CG2-CB 4.15Å; T151-A154 VanDerWaalsContact O-CB 3.3Å; T151-A154 WeakPolarHBondContact O-CB 3.4Å; T151-A154 PolarHBondContact O-N 3.01Å; T151-A154 VanDerWaalsContact O-N 3.12Å; K152-A154 VanDerWaalsContact C-N 3.29Å; K152-A154 PolarHBondContact O-N 3.39Å; A154-Q156 HydrophobicContact CB-CG 4.04Å; A154-Q156 PolarHBondContact O-N 3.34Å
155N94.9Very high97Very high122 Ų12242 Ų4265%0.65224%0.243SC*.  trans53.332.7-178.4-67.8-25.9000114.7G153 A181G153-N155 PolarHBondContact O-N 3.12Å; N155-A181 HydrophobicContact CB-CB 4.21Å
156Q98.2Very high97Very high23 Ų2338.4 Ų38.411%0.10723%0.233CC..PPolyproline II helixtrans-65.1145.1-177.7-73.1170.2-62.400112.6H149 A154 C180 A181 K182 D226H149-Q156 PolarHBondContact O-NE2 2.87Å; A154-Q156 HydrophobicContact CB-CG 4.04Å; A154-Q156 PolarHBondContact O-N 3.34Å; Q156-C180 CarbonylContact O-C 3.58Å; Q156-C180 WeakPolarHBondContact O-CA 3.29Å; Q156-A181 PolarHBondContact O-N 3.23Å; Q156-K182 PolarHBondContact O-N 3.39Å; Q156-D226 VanDerWaalsContact CA-OD2 3.22Å; Q156-D226 WeakPolarHBondContact CA-OD2 3.29Å; Q156-D226 HydrophobicContact CB-CB 3.98Å; Q156-D226 HydrophobicContact CG-CB 3.9Å
157T98.8Very high97Very high7 Ų736.7 Ų36.74%0.04323%0.227CC..EExtended strand (participates in β ladder)trans-102122.5171.7-62.90000110.2K182 C221 G224 D226 V227T157-K182 WeakPolarHBondContact CA-O 3.43Å; T157-K182 HydrophobicContact CG2-CB 4.15Å; T157-C221 HydrophobicContact CG2-CB 4.11Å; T157-G224 WeakPolarHBondContact CB-O 3.29Å; T157-D226 PolarHBondContact N-OD2 2.66Å; T157-D226 PolarHBondContact O-N 3.37Å; T157-V227 PolarHBondContact O-N 3.21Å; T157-V227 VanDerWaalsContact O-N 3.15Å
158M98.9Very high97.1Very high0 Ų035 Ų350%022%0.22CC..EExtended strand (participates in β ladder)trans-100135.3170.3173.8178.1-97.500110.9V144 V160 C180 K182 V183 V184 V227 I251V144-M158 HydrophobicContact CG1-CE 4.13Å; V144-M158 HydrophobicContact CG2-CE 3.84Å; M158-V160 HydrophobicContact CG-CG2 3.95Å; M158-V160 HydrophobicContact SD-CG2 3.94Å; M158-C180 HydrophobicContact CB-CB 4.3Å; M158-K182 PolarHBondContact N-O 3.06Å; M158-V183 HydrophobicContact CB-CG2 4.4Å; M158-V183 CarbonylContact O-C 3.55Å; M158-V183 VanDerWaalsContact O-CA 3.31Å; M158-V183 WeakPolarHBondContact O-CA 3.48Å; M158-V184 PolarHBondContact O-N 3.02Å; M158-V227 CarbonylContact C-O 3.4Å; M158-V227 VanDerWaalsContact CA-O 3.23Å; M158-V227 WeakPolarHBondContact CA-O 3.44Å; M158-V227 HydrophobicContact CB-CB 4.26Å; M158-V227 HydrophobicContact CE-CB 4.09Å; M158-V227 HydrophobicContact CE-CG1 3.48Å; M158-V227 VanDerWaalsContact CE-CG1 3.48Å; M158-V227 HydrophobicContact CG-CB 4.38Å; M158-I251 HydrophobicContact CE-CD1 4.35Å
159V98.9Very high97.2Very high0 Ų035.2 Ų35.20%022%0.221CC..EExtended strand (participates in β ladder)trans-110.1141.5165.3176.60000109.4V184 I186 L217 V225 V227 Y228 F229 I240V159-V184 CarbonylContact C-O 3.46Å; V159-V184 VanDerWaalsContact CA-O 3.31Å; V159-V184 WeakPolarHBondContact CA-O 3.34Å; V159-V184 HydrophobicContact CG2-CB 4.35Å; V159-I186 HydrophobicContact CG1-CD1 3.78Å; V159-I186 HydrophobicContact CG1-CG1 4.39Å; V159-L217 HydrophobicContact CG1-CD2 4.27Å; V159-L217 HydrophobicContact CG2-CD2 3.99Å; V159-V225 HydrophobicContact CB-CG1 3.96Å; V159-V225 HydrophobicContact CG2-CB 4.24Å; V159-V225 HydrophobicContact CG2-CG1 3.68Å; V159-V225 HydrophobicContact CG2-CG2 3.5Å; V159-V225 VanDerWaalsContact CG2-CG2 3.5Å; V159-V227 PolarHBondContact N-O 2.58Å; V159-Y228 HydrophobicContact CB-CD2 4.39Å; V159-Y228 HydrophobicContact CG1-CD2 4.32Å; V159-Y228 WeakPolarHBondContact O-CA 3.45Å; V159-Y228 WeakPolarHBondContact O-CD2 3.43Å; V159-F229 PolarHBondContact O-N 2.9Å; V159-I240 HydrophobicContact CB-CG2 4.26Å; V159-I240 HydrophobicContact CG1-CD1 3.94Å; V159-I240 HydrophobicContact CG1-CG1 4.17Å; V159-I240 HydrophobicContact CG1-CG2 4.15Å
160V98.9Very high97.3Very high0 Ų030.9 Ų30.90%020%0.202CC..EExtended strand (participates in β ladder)trans-126123.6177.5-1750000109.3M158 A163 V183 V184 I186 F202 F229M158-V160 HydrophobicContact CG-CG2 3.95Å; M158-V160 HydrophobicContact SD-CG2 3.94Å; V160-A163 HydrophobicContact CB-CB 4.02Å; V160-A163 HydrophobicContact CG1-CB 4Å; V160-A163 WeakPolarHBondContact O-CB 3.4Å; V160-V183 HydrophobicContact CG2-CG1 4.38Å; V160-V184 PolarHBondContact N-O 2.8Å; V160-I186 PolarHBondContact O-N 2.75Å; V160-F202 HydrophobicContact CB-CE1 4.42Å; V160-F202 HydrophobicContact CG2-CE1 4.35Å; V160-F229 HydrophobicContact CG1-CB 4.23Å; V160-F229 HydrophobicContact CG1-CD1 4.48Å; V160-F229 HydrophobicContact CG2-CB 4.18Å
161S98.8Very high97.4Very high0 Ų029.4 Ų29.40%019%0.193CC..EExtended strand (participates in β ladder)trans-89.6149.7169.767.20000110.6A163 Y228 F229 D230 N231 V232S161-A163 PolarHBondContact O-N 3.48Å; S161-Y228 VanDerWaalsContact CB-OH 3.25Å; S161-Y228 WeakPolarHBondContact CB-OH 3.29Å; S161-Y228 PolarHBondContact OG-OH 2.92Å; S161-F229 PolarHBondContact N-O 3.44Å; S161-D230 PolarHBondContact OG-OD1 3.29Å; S161-N231 WeakPolarHBondContact O-CB 3.14Å; S161-N231 PolarHBondContact O-ND2 3.45Å; S161-N231 PolarHBondContact OG-N 2.87Å; S161-V232 PolarHBondContact OG-N 3.04Å
162G98Very high97.6Very high28 Ų2825.5 Ų25.529%0.28917%0.169SC..THydrogen-bonded Turntrans60.831.3-171.300000112.1A164 G165 I186G162-A164 PolarHBondContact O-N 2.9Å; G162-A164 VanDerWaalsContact O-N 3.16Å; G162-G165 PolarHBondContact O-N 3.36Å; G162-I186 PolarHBondContact N-O 2.89Å; G162-I186 VanDerWaalsContact N-O 3.07Å
163A98.6Very high97.8Very high0 Ų018.1 Ų18.10%014%0.137CC..THydrogen-bonded Turntrans-62.3-27.9-165.700000114V160 S161 G165 G168 S169 G185 I186 L196 F202V160-A163 HydrophobicContact CB-CB 4.02Å; V160-A163 HydrophobicContact CG1-CB 4Å; V160-A163 WeakPolarHBondContact O-CB 3.4Å; S161-A163 PolarHBondContact O-N 3.48Å; A163-G165 VanDerWaalsContact C-N 3.27Å; A163-G165 PolarHBondContact O-N 3.34Å; A163-G168 CarbonylContact O-C 3.55Å; A163-S169 WeakPolarHBondContact O-CA 3.09Å; A163-S169 WeakPolarHBondContact O-CB 3.49Å; A163-S169 PolarHBondContact O-N 2.82Å; A163-G185 VanDerWaalsContact CB-CA 3.42Å; A163-I186 PolarHBondContact N-O 3.05Å; A163-L196 HydrophobicContact CB-CD1 3.67Å; A163-L196 HydrophobicContact CB-CD2 4.04Å; A163-L196 VanDerWaalsContact O-CD2 3.3Å; A163-L196 WeakPolarHBondContact O-CD2 3.33Å; A163-F202 HydrophobicContact CB-CE1 4.01Å; A163-F202 HydrophobicContact CB-CZ 4.4Å
164A98.3Very high98.1Very high3 Ų314.9 Ų14.93%0.02510%0.103CC..THydrogen-bonded Turntrans-855.417700000113.6G162 C187 K192 L196 G339G162-A164 PolarHBondContact O-N 2.9Å; G162-A164 VanDerWaalsContact O-N 3.16Å; A164-C187 HydrophobicContact CB-CB 3.96Å; A164-K192 HydrophobicContact CB-CB 3.67Å; A164-K192 HydrophobicContact CB-CD 3.94Å; A164-K192 HydrophobicContact CB-CG 3.75Å; A164-L196 HydrophobicContact CB-CD1 4.23Å; A164-L196 HydrophobicContact CB-CD2 4.37Å; A164-L196 HydrophobicContact CB-CG 4.22Å; A164-G339 WeakPolarHBondContact O-CA 3.49Å; A164-G339 PolarHBondContact O-N 3.39Å
165G97.9Very high98.3Very high20 Ų2012.2 Ų12.221%0.2068%0.081CC..BIsolated β-bridgetrans-89.5177.6174.500000113G162 A163 G168 S169G162-G165 PolarHBondContact O-N 3.36Å; A163-G165 VanDerWaalsContact C-N 3.27Å; A163-G165 PolarHBondContact O-N 3.34Å; G165-G168 PolarHBondContact O-N 2.71Å; G165-S169 VanDerWaalsContact O-CB 3.23Å; G165-S169 WeakPolarHBondContact O-CB 3.4Å; G165-S169 PolarHBondContact O-N 2.92Å; G165-S169 PolarHBondContact O-OG 3.08Å
166A97.2Very high98.4Very high18 Ų1811.4 Ų11.415%0.1497%0.069CC..Hα-helixtrans-54.2-57.4-176.100000113.8T136 S169 L170 K340T136-A166 HydrophobicContact CG2-CB 3.9Å; A166-S169 PolarHBondContact O-OG 2.91Å; A166-L170 WeakPolarHBondContact O-CD1 3.29Å; A166-L170 WeakPolarHBondContact O-CG 3.46Å; A166-K340 HydrophobicContact CB-CB 3.98Å; A166-K340 HydrophobicContact CB-CD 3.63Å; A166-K340 HydrophobicContact CB-CG 4.41Å
167C97.2Very high98.4Very high21 Ų2112.6 Ų12.614%0.1428%0.076CC..Hα-helixtrans-69.7-46.1179.5-61.90000112T136 S169 L170 A171T136-C167 VanDerWaalsContact CB-SG 3.58Å; C167-S169 PolarHBondContact O-N 2.94Å; C167-L170 PolarHBondContact O-N 2.89Å; C167-A171 WeakPolarHBondContact O-CB 3.12Å; C167-A171 PolarHBondContact O-N 2.61Å
168G98.5Very high98.3Very high1 Ų113.4 Ų13.41%0.018%0.08CC..Hα-helixtrans-62.9-39.1-174.100000113.7A163 G165 L170 A171 G172A163-G168 CarbonylContact O-C 3.55Å; G165-G168 PolarHBondContact O-N 2.71Å; G168-L170 VanDerWaalsContact C-N 3.31Å; G168-L170 PolarHBondContact O-N 3.02Å; G168-A171 PolarHBondContact O-N 2.68Å; G168-G172 PolarHBondContact O-N 3.26Å; G168-G172 VanDerWaalsContact O-N 3.09Å
169S98.6Very high98.3Very high4 Ų414.4 Ų14.43%0.0289%0.09CC..Hα-helixtrans-67.3-35.2-178.656.40000111.8A163 G165 A166 C167 Q173A163-S169 WeakPolarHBondContact O-CA 3.09Å; A163-S169 WeakPolarHBondContact O-CB 3.49Å; A163-S169 PolarHBondContact O-N 2.82Å; G165-S169 VanDerWaalsContact O-CB 3.23Å; G165-S169 WeakPolarHBondContact O-CB 3.4Å; G165-S169 PolarHBondContact O-N 2.92Å; G165-S169 PolarHBondContact O-OG 3.08Å; A166-S169 PolarHBondContact O-OG 2.91Å; C167-S169 PolarHBondContact O-N 2.94Å; S169-Q173 WeakPolarHBondContact O-CG 3.44Å; S169-Q173 PolarHBondContact O-NE2 3.01Å
170L98.8Very high98.2Very high5 Ų514.6 Ų14.63%0.0269%0.092CC..Hα-helixtrans-76.3-44174.9-60174.1000110.9A132 A140 A166 C167 G168 G172 Q173 I174 I312A132-L170 HydrophobicContact CB-CD1 4.06Å; A132-L170 HydrophobicContact CB-CD2 4.14Å; A140-L170 HydrophobicContact CB-CB 3.66Å; A166-L170 WeakPolarHBondContact O-CD1 3.29Å; A166-L170 WeakPolarHBondContact O-CG 3.46Å; C167-L170 PolarHBondContact O-N 2.89Å; G168-L170 VanDerWaalsContact C-N 3.31Å; G168-L170 PolarHBondContact O-N 3.02Å; L170-G172 VanDerWaalsContact C-N 3.31Å; L170-G172 PolarHBondContact O-N 3.39Å; L170-Q173 PolarHBondContact O-N 2.88Å; L170-Q173 VanDerWaalsContact O-N 3.13Å; L170-I174 HydrophobicContact CB-CD1 4.26Å; L170-I174 WeakPolarHBondContact O-CB 3.16Å; L170-I174 WeakPolarHBondContact O-CD1 3.38Å; L170-I174 VanDerWaalsContact O-CG1 3.24Å; L170-I174 WeakPolarHBondContact O-CG1 3.48Å; L170-I174 PolarHBondContact O-N 3.49Å; L170-I312 HydrophobicContact CD2-CG2 3.47Å; L170-I312 VanDerWaalsContact CD2-CG2 3.47Å
171A98.8Very high98.1Very high0 Ų017.7 Ų17.70%012%0.117CC..Hα-helixtrans-58.4-42.1-178.200000112A140 V144 C167 G168 I174 G175 F229A140-A171 HydrophobicContact CB-CB 4.05Å; V144-A171 HydrophobicContact CG2-CB 4.09Å; C167-A171 WeakPolarHBondContact O-CB 3.12Å; C167-A171 PolarHBondContact O-N 2.61Å; G168-A171 PolarHBondContact O-N 2.68Å; A171-I174 PolarHBondContact O-N 3.5Å; A171-G175 PolarHBondContact O-N 3.41Å; A171-F229 HydrophobicContact CB-CD1 4.16Å; A171-F229 HydrophobicContact CB-CD2 3.63Å; A171-F229 HydrophobicContact CB-CE1 4.23Å; A171-F229 HydrophobicContact CB-CE2 3.72Å; A171-F229 HydrophobicContact CB-CG 3.86Å; A171-F229 HydrophobicContact CB-CZ 4.03Å
172G98.8Very high98.1Very high1 Ų120.5 Ų20.51%0.0113%0.129CC..Hα-helixtrans-68-38.6176.500000113.7G168 L170 I174 G175 R176G168-G172 PolarHBondContact O-N 3.26Å; G168-G172 VanDerWaalsContact O-N 3.09Å; L170-G172 VanDerWaalsContact C-N 3.31Å; L170-G172 PolarHBondContact O-N 3.39Å; G172-I174 VanDerWaalsContact C-N 3.34Å; G172-G175 PolarHBondContact O-N 3.2Å; G172-R176 PolarHBondContact O-N 3.47Å; G172-R176 VanDerWaalsContact O-N 3.11Å
173Q98.8Very high98.2Very high3 Ų319.3 Ų19.31%0.01412%0.116CC..Hα-helixtrans-63.9-41.4173.8-70.6178.291.200111.4S169 L170 R176 L177 L200 I312 K313S169-Q173 WeakPolarHBondContact O-CG 3.44Å; S169-Q173 PolarHBondContact O-NE2 3.01Å; L170-Q173 PolarHBondContact O-N 2.88Å; L170-Q173 VanDerWaalsContact O-N 3.13Å; Q173-R176 PolarHBondContact O-N 3.04Å; Q173-L177 WeakPolarHBondContact O-CG 3.2Å; Q173-L177 PolarHBondContact O-N 2.78Å; Q173-L200 HydrophobicContact CG-CB 4.26Å; Q173-I312 HydrophobicContact CB-CG1 4.42Å; Q173-K313 PolarHBondContact NE2-O 3.32Å
174I98.7Very high98.2Very high1 Ų119.3 Ų19.31%0.00512%0.116CC..Hα-helixtrans-66.4-45.2177.8-68.4159.3000110.8A140 L141 V144 L170 A171 G172 R176 L177 D178 L303 I312A140-I174 HydrophobicContact CB-CD1 3.88Å; L141-I174 HydrophobicContact CB-CD1 3.97Å; L141-I174 HydrophobicContact CD1-CD1 3.85Å; L141-I174 HydrophobicContact CD1-CG1 4Å; L141-I174 HydrophobicContact CD1-CG2 3.86Å; V144-I174 HydrophobicContact CB-CG2 3.98Å; V144-I174 HydrophobicContact CG1-CG2 4Å; V144-I174 HydrophobicContact CG2-CG2 4.35Å; L170-I174 HydrophobicContact CB-CD1 4.26Å; L170-I174 WeakPolarHBondContact O-CB 3.16Å; L170-I174 WeakPolarHBondContact O-CD1 3.38Å; L170-I174 VanDerWaalsContact O-CG1 3.24Å; L170-I174 WeakPolarHBondContact O-CG1 3.48Å; L170-I174 PolarHBondContact O-N 3.49Å; A171-I174 PolarHBondContact O-N 3.5Å; G172-I174 VanDerWaalsContact C-N 3.34Å; I174-R176 VanDerWaalsContact C-N 3.26Å; I174-R176 PolarHBondContact O-N 2.84Å; I174-L177 PolarHBondContact O-N 2.86Å; I174-L177 VanDerWaalsContact O-N 3.09Å; I174-D178 WeakPolarHBondContact O-CB 3.32Å; I174-D178 PolarHBondContact O-N 3.47Å; I174-L303 HydrophobicContact CD1-CD2 4.34Å; I174-I312 HydrophobicContact CD1-CD1 4.32Å; I174-I312 HydrophobicContact CG1-CD1 3.89Å
175G98.4Very high98.2Very high0 Ų019.1 Ų19.10%012%0.115CC..Hα-helixtrans-56-41.7174.800000112.2A171 G172 D178 G179 C180A171-G175 PolarHBondContact O-N 3.41Å; G172-G175 PolarHBondContact O-N 3.2Å; G175-D178 PolarHBondContact O-N 3.4Å; G175-G179 PolarHBondContact O-N 3.44Å; G175-C180 VanDerWaalsContact O-CB 3.32Å; G175-C180 WeakPolarHBondContact O-CB 3.36Å; G175-C180 PolarHBondContact O-N 3.33Å; G175-C180 PolarHBondContact O-SG 3.11Å
176R98Very high98.2Very high105 Ų10518.3 Ų18.340%0.39611%0.106SC..Hα-helixtrans-64.1-46.3173.6-176.7174.260.879.50.9112.4G172 Q173 I174 D178 G179 V183G172-R176 PolarHBondContact O-N 3.47Å; G172-R176 VanDerWaalsContact O-N 3.11Å; Q173-R176 PolarHBondContact O-N 3.04Å; I174-R176 VanDerWaalsContact C-N 3.26Å; I174-R176 PolarHBondContact O-N 2.84Å; R176-D178 VanDerWaalsContact C-N 3.28Å; R176-D178 PolarHBondContact O-N 3.11Å; R176-G179 PolarHBondContact O-N 2.87Å; R176-V183 HydrophobicContact CB-CG2 3.99Å
177L97.8Very high98.3Very high48 Ų4817.7 Ų17.725%0.25110%0.1SC..Hα-helixtrans-62.7-35.6177.7-72169.6000112.3Q173 I174 L306 Q311 I312Q173-L177 WeakPolarHBondContact O-CG 3.2Å; Q173-L177 PolarHBondContact O-N 2.78Å; I174-L177 PolarHBondContact O-N 2.86Å; I174-L177 VanDerWaalsContact O-N 3.09Å; L177-L306 HydrophobicContact CD1-CD1 4.37Å; L177-L306 HydrophobicContact CD1-CD2 4.2Å; L177-Q311 HydrophobicContact CD2-CB 4.45Å; L177-I312 HydrophobicContact CD1-CD1 4.36Å; L177-I312 HydrophobicContact CD1-CG1 3.94Å
178D97.5Very high98.3Very high23 Ų2317.2 Ų17.212%0.12310%0.099CC..Hα-helixtrans-82.7-16.3-177.1-72.9-6000112.6R145 V150 K152 I174 G175 R176R145-D178 WeakPolarHBondContact CG-OD2 3.49Å; R145-D178 IonicContact CZ-OD1 3.79Å; R145-D178 IonicContact CZ-OD2 3.4Å; R145-D178 IonicContact NE-OD1 2.72Å; R145-D178 PolarHBondContact NE-OD1 3.34Å; R145-D178 IonicContact NE-OD2 3.2Å; R145-D178 PolarHBondContact NE-OD2 3.19Å; R145-D178 IonicContact NH2-OD1 3.17Å; R145-D178 PolarHBondContact NH2-OD1 3.25Å; R145-D178 IonicContact NH2-OD2 2.62Å; V150-D178 HydrophobicContact CB-CB 4.39Å; V150-D178 HydrophobicContact CG1-CB 4.14Å; K152-D178 VanDerWaalsContact CE-O 3.24Å; K152-D178 WeakPolarHBondContact CE-O 3.29Å; K152-D178 WeakPolarHBondContact CG-O 3.46Å; I174-D178 WeakPolarHBondContact O-CB 3.32Å; I174-D178 PolarHBondContact O-N 3.47Å; G175-D178 PolarHBondContact O-N 3.4Å; R176-D178 VanDerWaalsContact C-N 3.28Å; R176-D178 PolarHBondContact O-N 3.11Å
179G97.1Very high98.3Very high21 Ų2118.6 Ų18.622%0.21611%0.108CC..THydrogen-bonded Turntrans134.45.1165.100000117G175 R176 A181G175-G179 PolarHBondContact O-N 3.44Å; R176-G179 PolarHBondContact O-N 2.87Å; G179-A181 PolarHBondContact O-N 2.75Å
180C98.2Very high98.3Very high5 Ų523.1 Ų23.13%0.03413%0.132CC..  trans-61.2124171.9-65.30000109.8Q156 M158 G175 K182 V183Q156-C180 CarbonylContact O-C 3.58Å; Q156-C180 WeakPolarHBondContact O-CA 3.29Å; M158-C180 HydrophobicContact CB-CB 4.3Å; G175-C180 VanDerWaalsContact O-CB 3.32Å; G175-C180 WeakPolarHBondContact O-CB 3.36Å; G175-C180 PolarHBondContact O-N 3.33Å; G175-C180 PolarHBondContact O-SG 3.11Å; C180-K182 PolarHBondContact O-N 2.88Å; C180-V183 HydrophobicContact CB-CG2 4Å
181A97.3Very high98.3Very high64 Ų6428.8 Ų28.853%0.52916%0.158SC..SBendtrans-70.4-27.6176.900000111.6N155 Q156 G179N155-A181 HydrophobicContact CB-CB 4.21Å; Q156-A181 PolarHBondContact O-N 3.23Å; G179-A181 PolarHBondContact O-N 2.75Å
182K98.1Very high98.3Very high60 Ų6029.6 Ų29.626%0.26116%0.162SC..EExtended strand (participates in β ladder)trans-135136.4178.1-158.8171-162.5163.30111.3Q156 T157 M158 C180 V184 S203 T220Q156-K182 PolarHBondContact O-N 3.39Å; T157-K182 WeakPolarHBondContact CA-O 3.43Å; T157-K182 HydrophobicContact CG2-CB 4.15Å; M158-K182 PolarHBondContact N-O 3.06Å; C180-K182 PolarHBondContact O-N 2.88Å; K182-V184 HydrophobicContact CD-CG2 4.34Å; K182-V184 HydrophobicContact CG-CG2 4.18Å; K182-S203 VanDerWaalsContact CG-CB 3.48Å; K182-S203 WeakPolarHBondContact CG-OG 3.39Å; K182-T220 VanDerWaalsContact CD-O 3.24Å; K182-T220 WeakPolarHBondContact CD-O 3.38Å; K182-T220 WeakPolarHBondContact CE-O 3.38Å; K182-T220 PolarHBondContact NZ-O 2.93Å
183V98.8Very high98.3Very high2 Ų230.3 Ų30.31%0.01217%0.167CC..EExtended strand (participates in β ladder)trans-129120.5172.7-175.50000108.9M158 V160 R176 C180 F202 S203M158-V183 HydrophobicContact CB-CG2 4.4Å; M158-V183 CarbonylContact O-C 3.55Å; M158-V183 VanDerWaalsContact O-CA 3.31Å; M158-V183 WeakPolarHBondContact O-CA 3.48Å; V160-V183 HydrophobicContact CG2-CG1 4.38Å; R176-V183 HydrophobicContact CB-CG2 3.99Å; C180-V183 HydrophobicContact CB-CG2 4Å; V183-F202 HydrophobicContact CB-CD1 4.45Å; V183-F202 HydrophobicContact CG1-CD1 3.66Å; V183-F202 HydrophobicContact CG1-CE1 3.65Å; V183-F202 HydrophobicContact CG1-CG 4.3Å; V183-F202 HydrophobicContact CG1-CZ 4.26Å; V183-S203 PolarHBondContact N-OG 3.22Å; V183-S203 VanDerWaalsContact N-OG 3.11Å; V183-S203 WeakPolarHBondContact O-CB 3.43Å; V183-S203 PolarHBondContact O-N 3.1Å
184V98.9Very high98.2Very high0 Ų036 Ų360%019%0.191CC..EExtended strand (participates in β ladder)trans-116.7127.7-179.6-179.70000110.3M158 V159 V160 K182 A204 I206M158-V184 PolarHBondContact O-N 3.02Å; V159-V184 CarbonylContact C-O 3.46Å; V159-V184 VanDerWaalsContact CA-O 3.31Å; V159-V184 WeakPolarHBondContact CA-O 3.34Å; V159-V184 HydrophobicContact CG2-CB 4.35Å; V160-V184 PolarHBondContact N-O 2.8Å; K182-V184 HydrophobicContact CD-CG2 4.34Å; K182-V184 HydrophobicContact CG-CG2 4.18Å; V184-A204 WeakPolarHBondContact CA-O 3.42Å; V184-A204 HydrophobicContact CG1-CB 4.21Å; V184-A204 HydrophobicContact CG2-CB 4.13Å; V184-I206 HydrophobicContact CG1-CD1 4.1Å; V184-I206 HydrophobicContact CG1-CG1 4.25Å
185G98.8Very high98.2Very high0 Ų036.3 Ų36.30%019%0.194CC..EExtended strand (participates in β ladder)trans-102.8140-17800000112.6A163 A204 A205 I206A163-G185 VanDerWaalsContact CB-CA 3.42Å; G185-A204 PolarHBondContact N-O 2.97Å; G185-A205 CarbonylContact O-C 3.37Å; G185-A205 WeakPolarHBondContact O-CA 3.35Å; G185-I206 PolarHBondContact O-N 3.35Å
186I98.8Very high98.3Very high2 Ų236.3 Ų36.31%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-111.7126171.1-62.5164.1000109.1V159 V160 G162 A163 I206 Y208 V213 L217 V236 I240V159-I186 HydrophobicContact CG1-CD1 3.78Å; V159-I186 HydrophobicContact CG1-CG1 4.39Å; V160-I186 PolarHBondContact O-N 2.75Å; G162-I186 PolarHBondContact N-O 2.89Å; G162-I186 VanDerWaalsContact N-O 3.07Å; A163-I186 PolarHBondContact N-O 3.05Å; I186-I206 WeakPolarHBondContact CA-O 3.33Å; I186-I206 HydrophobicContact CG1-CB 4.21Å; I186-I206 HydrophobicContact CG1-CD1 4.41Å; I186-Y208 HydrophobicContact CG2-CD1 4.31Å; I186-V213 HydrophobicContact CD1-CG1 4.07Å; I186-L217 HydrophobicContact CD1-CD2 4.38Å; I186-V236 HydrophobicContact CD1-CG1 4.19Å; I186-V236 HydrophobicContact CG2-CG1 4.1Å; I186-I240 HydrophobicContact CD1-CD1 3.43Å; I186-I240 VanDerWaalsContact CD1-CD1 3.43Å; I186-I240 HydrophobicContact CD1-CG1 3.81Å
187C98.3Very high98.3Very high6 Ų634.2 Ų34.24%0.04119%0.193CC..EExtended strand (participates in β ladder)trans-149.7176.9-177.769.30000111.8A164 K192 C193 L196 I206 N207 Y208A164-C187 HydrophobicContact CB-CB 3.96Å; C187-K192 HydrophobicContact CB-CB 3.93Å; C187-K192 HydrophobicContact CB-CD 4.34Å; C187-K192 WeakPolarHBondContact SG-CB 3.3Å; C187-C193 PolarHBondContact SG-N 2.88Å; C187-C193 VanDerWaalsContact SG-N 3.39Å; C187-C193 PolarHBondContact SG-SG 3.49Å; C187-L196 HydrophobicContact CB-CD1 4.17Å; C187-I206 PolarHBondContact N-O 3.15Å; C187-N207 CarbonylContact O-C 3.25Å; C187-N207 VanDerWaalsContact O-CA 3.28Å; C187-N207 WeakPolarHBondContact O-CA 3.37Å; C187-Y208 VanDerWaalsContact C-CD1 3.45Å; C187-Y208 WeakPolarHBondContact O-CD1 3.4Å; C187-Y208 PolarHBondContact O-N 3.46Å
188G97.4Very high98.3Very high11 Ų1137.9 Ų37.911%0.11321%0.209CC..SBendtrans-1049.7-164.900000116.8R209G188-R209 WeakPolarHBondContact O-CD 3.36Å; G188-R209 PolarHBondContact O-NE 2.58Å
189S98.3Very high98.3Very high29 Ų2940.3 Ų40.320%0.20322%0.222CC..SBendtrans-155.9160.5175.687.70000111.3E191 K192 C193 N207S189-E191 VanDerWaalsContact C-N 3.33Å; S189-E191 WeakPolarHBondContact CB-OE2 3.39Å; S189-E191 PolarHBondContact OG-OE2 2.8Å; S189-K192 WeakPolarHBondContact O-CB 3.27Å; S189-K192 PolarHBondContact O-N 2.84Å; S189-K192 PolarHBondContact OG-N 3.4Å; S189-C193 PolarHBondContact O-N 3.46Å; S189-N207 WeakPolarHBondContact CA-ND2 3.35Å
190D98.4Very high98.4Very high99 Ų9939.4 Ų39.453%0.52921%0.212SC..Hα-helixtrans-71.6-31.4-179.5-64.6-19000111.3K192 C193 K194 N207D190-K192 VanDerWaalsContact C-N 3.29Å; D190-K192 PolarHBondContact O-N 3.36Å; D190-C193 WeakPolarHBondContact O-CB 3.36Å; D190-C193 PolarHBondContact O-N 3.2Å; D190-K194 WeakPolarHBondContact O-CB 3.38Å; D190-K194 PolarHBondContact O-N 3.33Å; D190-N207 PolarHBondContact N-ND2 3.5Å; D190-N207 WeakPolarHBondContact OD1-CB 3.48Å; D190-N207 PolarHBondContact OD1-ND2 3.2Å
191E98.4Very high98.4Very high124 Ų12440.9 Ų40.958%0.57923%0.228SC*.Hα-helixtrans-62.2-39.7173.3-56.174.8-161.400111S189 K194 A195 I338S189-E191 VanDerWaalsContact C-N 3.33Å; S189-E191 WeakPolarHBondContact CB-OE2 3.39Å; S189-E191 PolarHBondContact OG-OE2 2.8Å; E191-K194 PolarHBondContact O-N 2.82Å; E191-A195 PolarHBondContact O-N 3.46Å; E191-I338 HydrophobicContact CB-CD1 4.34Å
192K98.7Very high98.4Very high17 Ų1738.2 Ų38.27%0.07421%0.205CC..Hα-helixtrans-67.2-42.1174.3-74.8175.9173.1-159.10111.7A164 C187 S189 D190 K194 A195 L196 G335 N337 I338A164-K192 HydrophobicContact CB-CB 3.67Å; A164-K192 HydrophobicContact CB-CD 3.94Å; A164-K192 HydrophobicContact CB-CG 3.75Å; C187-K192 HydrophobicContact CB-CB 3.93Å; C187-K192 HydrophobicContact CB-CD 4.34Å; C187-K192 WeakPolarHBondContact SG-CB 3.3Å; S189-K192 WeakPolarHBondContact O-CB 3.27Å; S189-K192 PolarHBondContact O-N 2.84Å; S189-K192 PolarHBondContact OG-N 3.4Å; D190-K192 VanDerWaalsContact C-N 3.29Å; D190-K192 PolarHBondContact O-N 3.36Å; K192-K194 VanDerWaalsContact C-N 3.28Å; K192-K194 PolarHBondContact O-N 2.96Å; K192-A195 PolarHBondContact O-N 3.48Å; K192-L196 VanDerWaalsContact O-CG 3.28Å; K192-L196 WeakPolarHBondContact O-CG 3.01Å; K192-L196 PolarHBondContact O-N 3.01Å; K192-G335 VanDerWaalsContact CE-O 3.29Å; K192-G335 WeakPolarHBondContact CE-O 3.49Å; K192-G335 VanDerWaalsContact NZ-C 3.33Å; K192-G335 PolarHBondContact NZ-O 3.21Å; K192-N337 WeakPolarHBondContact CE-O 3.23Å; K192-N337 PolarHBondContact NZ-O 2.87Å; K192-I338 HydrophobicContact CG-CD1 4.17Å; K192-I338 HydrophobicContact CG-CG1 3.87Å
193C98.8Very high98.5Very high17 Ų1738.2 Ų38.212%0.11521%0.212CC..Hα-helixtrans-58.8-44.2174.6-760000111.3C187 S189 D190 L196 V197 A205 N207C187-C193 PolarHBondContact SG-N 2.88Å; C187-C193 VanDerWaalsContact SG-N 3.39Å; C187-C193 PolarHBondContact SG-SG 3.49Å; S189-C193 PolarHBondContact O-N 3.46Å; D190-C193 WeakPolarHBondContact O-CB 3.36Å; D190-C193 PolarHBondContact O-N 3.2Å; C193-L196 PolarHBondContact O-N 2.93Å; C193-V197 PolarHBondContact O-N 3.22Å; C193-A205 HydrophobicContact CB-CB 3.71Å; C193-N207 PolarHBondContact SG-N 3.34Å
194K98.6Very high98.5Very high121 Ų12138.9 Ų38.953%0.52622%0.218SC..Hα-helixtrans-60.2-51.1176.9-171.2-179.8176.8-178.80111.5D190 E191 K192 L196 V197 E198D190-K194 WeakPolarHBondContact O-CB 3.38Å; D190-K194 PolarHBondContact O-N 3.33Å; E191-K194 PolarHBondContact O-N 2.82Å; K192-K194 VanDerWaalsContact C-N 3.28Å; K192-K194 PolarHBondContact O-N 2.96Å; K194-L196 VanDerWaalsContact C-N 3.3Å; K194-L196 PolarHBondContact O-N 3.43Å; K194-V197 PolarHBondContact O-N 3.11Å; K194-E198 WeakPolarHBondContact CE-OE1 3.5Å; K194-E198 WeakPolarHBondContact CE-OE2 3.3Å; K194-E198 VanDerWaalsContact CG-CD 3.41Å; K194-E198 HydrophobicContact CG-CG 4.08Å; K194-E198 WeakPolarHBondContact CG-OE1 3.42Å; K194-E198 IonicContact NZ-OE2 3.9Å; K194-E198 WeakPolarHBondContact O-CB 3.41Å; K194-E198 PolarHBondContact O-N 3.21Å
195A98.6Very high98.5Very high8 Ų839.7 Ų39.77%0.06623%0.225CC..Iπ-helixtrans-58.6-40.3178.400000112.5E191 K192 V197 D199 L200 L315 I338E191-A195 PolarHBondContact O-N 3.46Å; K192-A195 PolarHBondContact O-N 3.48Å; A195-V197 PolarHBondContact O-N 3.47Å; A195-D199 WeakPolarHBondContact CA-OD2 3.48Å; A195-D199 WeakPolarHBondContact O-CA 3.47Å; A195-D199 VanDerWaalsContact O-CB 3.22Å; A195-D199 WeakPolarHBondContact O-CB 3.4Å; A195-D199 PolarHBondContact O-N 2.92Å; A195-L200 PolarHBondContact O-N 3.2Å; A195-L200 VanDerWaalsContact O-N 3.16Å; A195-L315 HydrophobicContact CB-CD1 4.33Å; A195-I338 HydrophobicContact CB-CG2 4.1Å
196L98.8Very high98.5Very high1 Ų139.8 Ų39.81%0.00523%0.225CC..Iπ-helixtrans-61-44.8177.1-73.9171.9000112.6A163 A164 C187 K192 C193 K194 L200 G201 F202 A205A163-L196 HydrophobicContact CB-CD1 3.67Å; A163-L196 HydrophobicContact CB-CD2 4.04Å; A163-L196 VanDerWaalsContact O-CD2 3.3Å; A163-L196 WeakPolarHBondContact O-CD2 3.33Å; A164-L196 HydrophobicContact CB-CD1 4.23Å; A164-L196 HydrophobicContact CB-CD2 4.37Å; A164-L196 HydrophobicContact CB-CG 4.22Å; C187-L196 HydrophobicContact CB-CD1 4.17Å; K192-L196 VanDerWaalsContact O-CG 3.28Å; K192-L196 WeakPolarHBondContact O-CG 3.01Å; K192-L196 PolarHBondContact O-N 3.01Å; C193-L196 PolarHBondContact O-N 2.93Å; K194-L196 VanDerWaalsContact C-N 3.3Å; K194-L196 PolarHBondContact O-N 3.43Å; L196-L200 HydrophobicContact CD2-CD1 3.95Å; L196-L200 CarbonylContact O-C 3.5Å; L196-L200 WeakPolarHBondContact O-CB 3.38Å; L196-L200 PolarHBondContact O-N 2.99Å; L196-G201 PolarHBondContact O-N 3.07Å; L196-F202 HydrophobicContact CB-CB 4.26Å; L196-F202 HydrophobicContact CB-CD2 4.32Å; L196-F202 HydrophobicContact CB-CG 4.15Å; L196-F202 HydrophobicContact CD2-CD1 4.41Å; L196-F202 HydrophobicContact CD2-CD2 4.03Å; L196-F202 HydrophobicContact CD2-CE1 4.16Å; L196-F202 HydrophobicContact CD2-CE2 3.77Å; L196-F202 HydrophobicContact CD2-CG 4.34Å; L196-F202 HydrophobicContact CD2-CZ 3.82Å; L196-F202 WeakPolarHBondContact O-CB 3.5Å; L196-F202 WeakPolarHBondContact O-CD2 3.18Å; L196-F202 PolarHBondContact O-N 2.83Å; L196-A205 HydrophobicContact CB-CB 4.1Å; L196-A205 HydrophobicContact CD1-CB 4Å
197V98.7Very high98.4Very high60 Ų6040.3 Ų40.336%0.36423%0.228SC..Iπ-helixtrans-80.3-52.9-175.8176.70000111.2C193 K194 A195 G201 A205C193-V197 PolarHBondContact O-N 3.22Å; K194-V197 PolarHBondContact O-N 3.11Å; A195-V197 PolarHBondContact O-N 3.47Å; V197-G201 WeakPolarHBondContact O-CA 3.38Å; V197-G201 PolarHBondContact O-N 3.1Å; V197-A205 HydrophobicContact CG2-CB 3.96Å
198E98.3Very high98.4Very high126 Ų12644.8 Ų44.859%0.58925%0.245SC*.Iπ-helixtrans-76.2-43.6-172.8-63.7-176.2-16900112.3K194K194-E198 WeakPolarHBondContact CE-OE1 3.5Å; K194-E198 WeakPolarHBondContact CE-OE2 3.3Å; K194-E198 VanDerWaalsContact CG-CD 3.41Å; K194-E198 HydrophobicContact CG-CG 4.08Å; K194-E198 WeakPolarHBondContact CG-OE1 3.42Å; K194-E198 IonicContact NZ-OE2 3.9Å; K194-E198 WeakPolarHBondContact O-CB 3.41Å; K194-E198 PolarHBondContact O-N 3.21Å
199D97.6Very high98.3Very high73 Ų7351.3 Ų51.339%0.3927%0.266SS..Iπ-helixtrans-87-47.4-175.8-54.6-37.9000111A195 K313A195-D199 WeakPolarHBondContact CA-OD2 3.48Å; A195-D199 WeakPolarHBondContact O-CA 3.47Å; A195-D199 VanDerWaalsContact O-CB 3.22Å; A195-D199 WeakPolarHBondContact O-CB 3.4Å; A195-D199 PolarHBondContact O-N 2.92Å; D199-K313 WeakPolarHBondContact O-CD 3.26Å; D199-K313 WeakPolarHBondContact O-CE 3.41Å; D199-K313 PolarHBondContact O-NZ 2.73Å
200L98.4Very high98.2Very high3 Ų353.5 Ų53.52%0.01628%0.281CS..THydrogen-bonded Turntrans-96.8-8.8-169.7-54.2-173.9000115Q173 A195 L196 F202 K313 L315Q173-L200 HydrophobicContact CG-CB 4.26Å; A195-L200 PolarHBondContact O-N 3.2Å; A195-L200 VanDerWaalsContact O-N 3.16Å; L196-L200 HydrophobicContact CD2-CD1 3.95Å; L196-L200 CarbonylContact O-C 3.5Å; L196-L200 WeakPolarHBondContact O-CB 3.38Å; L196-L200 PolarHBondContact O-N 2.99Å; L200-F202 HydrophobicContact CB-CD2 3.9Å; L200-F202 HydrophobicContact CB-CE2 4.06Å; L200-F202 HydrophobicContact CD1-CE2 4.28Å; L200-K313 HydrophobicContact CD2-CB 3.76Å; L200-L315 HydrophobicContact CD1-CD1 3.85Å; L200-L315 HydrophobicContact CD2-CD1 4Å; L200-L315 HydrophobicContact CD2-CG 4.05Å; L200-L315 HydrophobicContact CG-CD1 4Å
201G98Very high98Very high36 Ų3651 Ų5137%0.37127%0.271SS..  trans73.330177.100000114.2L196 V197L196-G201 PolarHBondContact O-N 3.07Å; V197-G201 WeakPolarHBondContact O-CA 3.38Å; V197-G201 PolarHBondContact O-N 3.1Å
202F98.8Very high98Very high7 Ų749.9 Ų49.93%0.03127%0.27CS..  trans-65.5144166.1-78.9-123.5000109.5V160 A163 V183 L196 L200 A204V160-F202 HydrophobicContact CB-CE1 4.42Å; V160-F202 HydrophobicContact CG2-CE1 4.35Å; A163-F202 HydrophobicContact CB-CE1 4.01Å; A163-F202 HydrophobicContact CB-CZ 4.4Å; V183-F202 HydrophobicContact CB-CD1 4.45Å; V183-F202 HydrophobicContact CG1-CD1 3.66Å; V183-F202 HydrophobicContact CG1-CE1 3.65Å; V183-F202 HydrophobicContact CG1-CG 4.3Å; V183-F202 HydrophobicContact CG1-CZ 4.26Å; L196-F202 HydrophobicContact CB-CB 4.26Å; L196-F202 HydrophobicContact CB-CD2 4.32Å; L196-F202 HydrophobicContact CB-CG 4.15Å; L196-F202 HydrophobicContact CD2-CD1 4.41Å; L196-F202 HydrophobicContact CD2-CD2 4.03Å; L196-F202 HydrophobicContact CD2-CE1 4.16Å; L196-F202 HydrophobicContact CD2-CE2 3.77Å; L196-F202 HydrophobicContact CD2-CG 4.34Å; L196-F202 HydrophobicContact CD2-CZ 3.82Å; L196-F202 WeakPolarHBondContact O-CB 3.5Å; L196-F202 WeakPolarHBondContact O-CD2 3.18Å; L196-F202 PolarHBondContact O-N 2.83Å; L200-F202 HydrophobicContact CB-CD2 3.9Å; L200-F202 HydrophobicContact CB-CE2 4.06Å; L200-F202 HydrophobicContact CD1-CE2 4.28Å; F202-A204 VanDerWaalsContact C-N 3.3Å; F202-A204 PolarHBondContact O-N 2.93Å
203S98.6Very high97.9Very high60 Ų6049.9 Ų49.942%0.4227%0.271SS..SBendtrans-69.8-29.4-179.3-46.60000112.8K182 V183K182-S203 VanDerWaalsContact CG-CB 3.48Å; K182-S203 WeakPolarHBondContact CG-OG 3.39Å; V183-S203 PolarHBondContact N-OG 3.22Å; V183-S203 VanDerWaalsContact N-OG 3.11Å; V183-S203 WeakPolarHBondContact O-CB 3.43Å; V183-S203 PolarHBondContact O-N 3.1Å
204A98.7Very high97.9Very high16 Ų1650.7 Ų50.713%0.13228%0.277CS..EExtended strand (participates in β ladder)trans-159.3163.2171.700000110.1V184 G185 F202 T220V184-A204 WeakPolarHBondContact CA-O 3.42Å; V184-A204 HydrophobicContact CG1-CB 4.21Å; V184-A204 HydrophobicContact CG2-CB 4.13Å; G185-A204 PolarHBondContact N-O 2.97Å; F202-A204 VanDerWaalsContact C-N 3.3Å; F202-A204 PolarHBondContact O-N 2.93Å; A204-T220 HydrophobicContact CB-CG2 3.64Å
205A98.8Very high97.9Very high18 Ų1846.8 Ų46.815%0.14927%0.267CS..EExtended strand (participates in β ladder)trans-136.4149.6168.900000111.2G185 C193 L196 V197G185-A205 CarbonylContact O-C 3.37Å; G185-A205 WeakPolarHBondContact O-CA 3.35Å; C193-A205 HydrophobicContact CB-CB 3.71Å; L196-A205 HydrophobicContact CB-CB 4.1Å; L196-A205 HydrophobicContact CD1-CB 4Å; V197-A205 HydrophobicContact CG2-CB 3.96Å
206I98.8Very high97.9Very high2 Ų251.1 Ų51.11%0.0128%0.282CS..EExtended strand (participates in β ladder)trans-123.2124.5-178.5-55.7172.1000108.6V184 G185 I186 C187 Y208 V213 R216 L217V184-I206 HydrophobicContact CG1-CD1 4.1Å; V184-I206 HydrophobicContact CG1-CG1 4.25Å; G185-I206 PolarHBondContact O-N 3.35Å; I186-I206 WeakPolarHBondContact CA-O 3.33Å; I186-I206 HydrophobicContact CG1-CB 4.21Å; I186-I206 HydrophobicContact CG1-CD1 4.41Å; C187-I206 PolarHBondContact N-O 3.15Å; I206-Y208 PolarHBondContact O-N 3.03Å; I206-V213 HydrophobicContact CG2-CG2 4.32Å; I206-R216 HydrophobicContact CD1-CB 3.78Å; I206-R216 HydrophobicContact CG1-CB 3.98Å; I206-R216 HydrophobicContact CG2-CB 3.93Å; I206-R216 HydrophobicContact CG2-CG 4.36Å; I206-L217 HydrophobicContact CD1-CD2 3.85Å; I206-L217 HydrophobicContact CD1-CG 3.87Å
207N98.4Very high97.8Very high12 Ų1251 Ų516%0.06428%0.281CS..EExtended strand (participates in β ladder)trans-84.7105.1171-178.7-7.5000109.1C187 S189 D190 C193 R209 S210 S211C187-N207 CarbonylContact O-C 3.25Å; C187-N207 VanDerWaalsContact O-CA 3.28Å; C187-N207 WeakPolarHBondContact O-CA 3.37Å; S189-N207 WeakPolarHBondContact CA-ND2 3.35Å; D190-N207 PolarHBondContact N-ND2 3.5Å; D190-N207 WeakPolarHBondContact OD1-CB 3.48Å; D190-N207 PolarHBondContact OD1-ND2 3.2Å; C193-N207 PolarHBondContact SG-N 3.34Å; N207-R209 PolarHBondContact O-N 3.06Å; N207-R209 VanDerWaalsContact O-N 3.14Å; N207-R209 WeakPolarHBondContact OD1-CB 3.44Å; N207-R209 PolarHBondContact OD1-N 2.93Å; N207-S210 WeakPolarHBondContact CB-OG 3.34Å; N207-S210 VanDerWaalsContact CG-OG 3.22Å; N207-S210 PolarHBondContact ND2-OG 3.26Å; N207-S210 VanDerWaalsContact ND2-OG 3.09Å; N207-S210 PolarHBondContact O-N 3.06Å; N207-S211 VanDerWaalsContact O-CB 3.3Å; N207-S211 WeakPolarHBondContact O-CB 3.42Å; N207-S211 PolarHBondContact O-N 2.95Å; N207-S211 VanDerWaalsContact O-N 3.09Å; N207-S211 PolarHBondContact O-OG 2.8Å
208Y97.6Very high97.8Very high101 Ų10154.6 Ų54.640%0.39629%0.292SS..THydrogen-bonded Turntrans-67.4-14.2-176.177.4-96.3000113.5I186 C187 I206I186-Y208 HydrophobicContact CG2-CD1 4.31Å; C187-Y208 VanDerWaalsContact C-CD1 3.45Å; C187-Y208 WeakPolarHBondContact O-CD1 3.4Å; C187-Y208 PolarHBondContact O-N 3.46Å; I206-Y208 PolarHBondContact O-N 3.03Å
209R96.1Very high97.8Very high147 Ų14754.2 Ų54.256%0.55529%0.29SS*.THydrogen-bonded Turntrans-86.8-27.4-179.4-61.4-169.8-175.1177.6-2.8113.1G188 N207 K334G188-R209 WeakPolarHBondContact O-CD 3.36Å; G188-R209 PolarHBondContact O-NE 2.58Å; N207-R209 PolarHBondContact O-N 3.06Å; N207-R209 VanDerWaalsContact O-N 3.14Å; N207-R209 WeakPolarHBondContact OD1-CB 3.44Å; N207-R209 PolarHBondContact OD1-N 2.93Å; R209-K334 PolarHBondContact NH2-O 3.16Å
210S95.8Very high97.8Very high75 Ų7551.1 Ų51.152%0.52427%0.274SS..THydrogen-bonded Turntrans-115.1-5.9-17561.90000113.8N207N207-S210 WeakPolarHBondContact CB-OG 3.34Å; N207-S210 VanDerWaalsContact CG-OG 3.22Å; N207-S210 PolarHBondContact ND2-OG 3.26Å; N207-S210 VanDerWaalsContact ND2-OG 3.09Å; N207-S210 PolarHBondContact O-N 3.06Å
211S94.4Very high97.8Very high46 Ų4651.2 Ų51.232%0.32228%0.275SS..SBendtrans-129.7150.5-174.4-56.60000112.7N207 V213N207-S211 VanDerWaalsContact O-CB 3.3Å; N207-S211 WeakPolarHBondContact O-CB 3.42Å; N207-S211 PolarHBondContact O-N 2.95Å; N207-S211 VanDerWaalsContact O-N 3.09Å; N207-S211 PolarHBondContact O-OG 2.8Å; S211-V213 PolarHBondContact O-N 3.25Å; S211-V213 VanDerWaalsContact O-N 3.15Å
212D97.3Very high97.7Very high102 Ų10254.6 Ų54.655%0.54529%0.29SS..  trans-70105.4163.7-179.2-17.7000109.2S214 A215 R216D212-S214 PolarHBondContact O-N 3.3Å; D212-S214 WeakPolarHBondContact OD1-CA 3.46Å; D212-S214 VanDerWaalsContact OD1-CB 3.29Å; D212-S214 WeakPolarHBondContact OD1-CB 3.31Å; D212-S214 PolarHBondContact OD1-N 3.4Å; D212-A215 HydrophobicContact CB-CB 4.03Å; D212-A215 PolarHBondContact O-N 3.39Å; D212-A215 PolarHBondContact OD1-N 2.96Å; D212-A215 VanDerWaalsContact OD1-N 3.15Å; D212-R216 WeakPolarHBondContact O-CB 3.49Å; D212-R216 VanDerWaalsContact O-CG 3.31Å; D212-R216 WeakPolarHBondContact O-CG 3.35Å; D212-R216 PolarHBondContact O-N 3.35Å
213V97.5Very high97.6Very high16 Ų1657.8 Ų57.810%0.09732%0.318CS..Hα-helixtrans-58.7-37.1-179.5177.30000111.4I186 I206 S211 L217 T239I186-V213 HydrophobicContact CD1-CG1 4.07Å; I206-V213 HydrophobicContact CG2-CG2 4.32Å; S211-V213 PolarHBondContact O-N 3.25Å; S211-V213 VanDerWaalsContact O-N 3.15Å; V213-L217 HydrophobicContact CG1-CD1 3.74Å; V213-L217 HydrophobicContact CG1-CG 4.16Å; V213-L217 VanDerWaalsContact O-CB 3.25Å; V213-L217 WeakPolarHBondContact O-CB 3.32Å; V213-L217 WeakPolarHBondContact O-CG 3.49Å; V213-L217 PolarHBondContact O-N 3.39Å; V213-T239 HydrophobicContact CB-CG2 4.4Å; V213-T239 HydrophobicContact CG1-CG2 4.11Å
214S97.8Very high97.6Very high35 Ų3555.5 Ų55.525%0.24530%0.303CS..Hα-helixtrans-68-48.1-178.3-170.80000111.3D212 L217 K218 Q243D212-S214 PolarHBondContact O-N 3.3Å; D212-S214 WeakPolarHBondContact OD1-CA 3.46Å; D212-S214 VanDerWaalsContact OD1-CB 3.29Å; D212-S214 WeakPolarHBondContact OD1-CB 3.31Å; D212-S214 PolarHBondContact OD1-N 3.4Å; S214-L217 PolarHBondContact O-N 3.42Å; S214-K218 PolarHBondContact O-N 3.04Å; S214-Q243 VanDerWaalsContact CA-NE2 3.35Å; S214-Q243 PolarHBondContact O-NE2 2.56Å; S214-Q243 PolarHBondContact OG-NE2 3.05Å
215A98.3Very high97.6Very high38 Ų3854.7 Ų54.731%0.31430%0.297SS..Hα-helixtrans-62.9-47177.200000111.4D212 L217 K218 E219D212-A215 HydrophobicContact CB-CB 4.03Å; D212-A215 PolarHBondContact O-N 3.39Å; D212-A215 PolarHBondContact OD1-N 2.96Å; D212-A215 VanDerWaalsContact OD1-N 3.15Å; A215-L217 PolarHBondContact O-N 3.4Å; A215-K218 PolarHBondContact O-N 3.05Å; A215-E219 WeakPolarHBondContact O-CG 3.3Å; A215-E219 PolarHBondContact O-N 2.86Å
216R98.3Very high97.6Very high99 Ų9955.3 Ų55.337%0.37430%0.298SS..Hα-helixtrans-64.7-37.2179.9-68.8-58.5-58.8175.1-5.1112.7I206 D212 K218 E219 T220I206-R216 HydrophobicContact CD1-CB 3.78Å; I206-R216 HydrophobicContact CG1-CB 3.98Å; I206-R216 HydrophobicContact CG2-CB 3.93Å; I206-R216 HydrophobicContact CG2-CG 4.36Å; D212-R216 WeakPolarHBondContact O-CB 3.49Å; D212-R216 VanDerWaalsContact O-CG 3.31Å; D212-R216 WeakPolarHBondContact O-CG 3.35Å; D212-R216 PolarHBondContact O-N 3.35Å; R216-K218 PolarHBondContact O-N 2.82Å; R216-E219 WeakPolarHBondContact CD-OE2 3.11Å; R216-E219 IonicContact CZ-OE2 2.89Å; R216-E219 VanDerWaalsContact CZ-OE2 3.31Å; R216-E219 IonicContact NE-OE2 3.02Å; R216-E219 IonicContact NH1-OE2 3.63Å; R216-E219 PolarHBondContact NH1-OE2 3.2Å; R216-E219 PolarHBondContact O-N 2.92Å; R216-T220 WeakPolarHBondContact O-CB 3.12Å; R216-T220 WeakPolarHBondContact O-CG2 3.42Å; R216-T220 PolarHBondContact O-N 2.88Å; R216-T220 PolarHBondContact O-OG1 2.97Å
217L98.1Very high97.6Very high0 Ų055.2 Ų55.20%030%0.297CS..Hα-helixtrans-61.4-41.5174.4-82171000112V159 I186 I206 V213 S214 A215 E219 T220 C221 T239 I240 Q243V159-L217 HydrophobicContact CG1-CD2 4.27Å; V159-L217 HydrophobicContact CG2-CD2 3.99Å; I186-L217 HydrophobicContact CD1-CD2 4.38Å; I206-L217 HydrophobicContact CD1-CD2 3.85Å; I206-L217 HydrophobicContact CD1-CG 3.87Å; V213-L217 HydrophobicContact CG1-CD1 3.74Å; V213-L217 HydrophobicContact CG1-CG 4.16Å; V213-L217 VanDerWaalsContact O-CB 3.25Å; V213-L217 WeakPolarHBondContact O-CB 3.32Å; V213-L217 WeakPolarHBondContact O-CG 3.49Å; V213-L217 PolarHBondContact O-N 3.39Å; S214-L217 PolarHBondContact O-N 3.42Å; A215-L217 PolarHBondContact O-N 3.4Å; L217-E219 VanDerWaalsContact C-N 3.31Å; L217-E219 PolarHBondContact O-N 3.45Å; L217-T220 PolarHBondContact O-N 2.92Å; L217-C221 VanDerWaalsContact O-CA 3.32Å; L217-C221 WeakPolarHBondContact O-CA 3.35Å; L217-C221 WeakPolarHBondContact O-CB 3.31Å; L217-C221 PolarHBondContact O-N 3.35Å; L217-T239 HydrophobicContact CD1-CG2 4.32Å; L217-I240 HydrophobicContact CD1-CB 4.42Å; L217-I240 HydrophobicContact CD1-CG1 3.69Å; L217-Q243 VanDerWaalsContact CB-OE1 3.27Å
218K97.9Very high97.6Very high134 Ų13454.6 Ų54.658%0.58329%0.294SS*.Hα-helixtrans-62.6-39.6175.9-68.1177.4-177.4173.50112.2S214 A215 R216 P222 Q243S214-K218 PolarHBondContact O-N 3.04Å; A215-K218 PolarHBondContact O-N 3.05Å; R216-K218 PolarHBondContact O-N 2.82Å; K218-P222 WeakPolarHBondContact O-CA 3.24Å; K218-Q243 VanDerWaalsContact CG-OE1 3.28Å
219E98.2Very high97.6Very high118 Ų11849.8 Ų49.855%0.55128%0.275SS*.Hα-helixtrans-69.9-42.7178.5-67.7171.4-177.300111.8A215 R216 L217A215-E219 WeakPolarHBondContact O-CG 3.3Å; A215-E219 PolarHBondContact O-N 2.86Å; R216-E219 WeakPolarHBondContact CD-OE2 3.11Å; R216-E219 IonicContact CZ-OE2 2.89Å; R216-E219 VanDerWaalsContact CZ-OE2 3.31Å; R216-E219 IonicContact NE-OE2 3.02Å; R216-E219 IonicContact NH1-OE2 3.63Å; R216-E219 PolarHBondContact NH1-OE2 3.2Å; R216-E219 PolarHBondContact O-N 2.92Å; L217-E219 VanDerWaalsContact C-N 3.31Å; L217-E219 PolarHBondContact O-N 3.45Å
220T98.1Very high97.7Very high9 Ų942.8 Ų42.86%0.05525%0.249CC..Hα-helixtrans-85.4-19.2-178.261.10000113.1K182 A204 R216 L217 P222K182-T220 VanDerWaalsContact CD-O 3.24Å; K182-T220 WeakPolarHBondContact CD-O 3.38Å; K182-T220 WeakPolarHBondContact CE-O 3.38Å; K182-T220 PolarHBondContact NZ-O 2.93Å; A204-T220 HydrophobicContact CB-CG2 3.64Å; R216-T220 WeakPolarHBondContact O-CB 3.12Å; R216-T220 WeakPolarHBondContact O-CG2 3.42Å; R216-T220 PolarHBondContact O-N 2.88Å; R216-T220 PolarHBondContact O-OG1 2.97Å; L217-T220 PolarHBondContact O-N 2.92Å; T220-P222 VanDerWaalsContact C-CD 3.48Å
221C98.1Very high97.8Very high4 Ų440.3 Ų40.33%0.02723%0.23CC..  trans-131.561.4-178.2-53.50000109.9T157 L217 A223 G224 V225T157-C221 HydrophobicContact CG2-CB 4.11Å; L217-C221 VanDerWaalsContact O-CA 3.32Å; L217-C221 WeakPolarHBondContact O-CA 3.35Å; L217-C221 WeakPolarHBondContact O-CB 3.31Å; L217-C221 PolarHBondContact O-N 3.35Å; C221-A223 PolarHBondContact O-N 2.9Å; C221-A223 VanDerWaalsContact O-N 3.13Å; C221-G224 PolarHBondContact O-N 3.41Å; C221-V225 HydrophobicContact CB-CG2 4.19Å
222P97Very high97.9Very high108 Ų10839.4 Ų39.470%0.70122%0.222SC*.THydrogen-bonded Turntrans-64.6-20.8-174.426.8-36000113.6K218 T220 G224K218-P222 WeakPolarHBondContact O-CA 3.24Å; T220-P222 VanDerWaalsContact C-CD 3.48Å; P222-G224 VanDerWaalsContact C-N 3.34Å
223A96.2Very high97.7Very high73 Ų7334.6 Ų34.660%0.60320%0.197SC*.THydrogen-bonded Turntrans-90.67.6174.900000113.4C221 N245C221-A223 PolarHBondContact O-N 2.9Å; C221-A223 VanDerWaalsContact O-N 3.13Å; A223-N245 PolarHBondContact O-ND2 2.98Å; A223-N245 PolarHBondContact O-OD1 3.4Å
224G97.6Very high97.5Very high12 Ų1234.8 Ų34.812%0.12420%0.202CC..  trans81.8-173-174.200000113.8T157 C221 P222 N245T157-G224 WeakPolarHBondContact CB-O 3.29Å; C221-G224 PolarHBondContact O-N 3.41Å; P222-G224 VanDerWaalsContact C-N 3.34Å; G224-N245 WeakPolarHBondContact CA-OD1 3.15Å
225V98.8Very high97.3Very high0 Ų038.7 Ų38.70%022%0.224CC..EExtended strand (participates in β ladder)trans-119.2123.9-177.7-179.60000109.8V159 C221 V227 I240 Q243 M244 N245V159-V225 HydrophobicContact CB-CG1 3.96Å; V159-V225 HydrophobicContact CG2-CB 4.24Å; V159-V225 HydrophobicContact CG2-CG1 3.68Å; V159-V225 HydrophobicContact CG2-CG2 3.5Å; V159-V225 VanDerWaalsContact CG2-CG2 3.5Å; C221-V225 HydrophobicContact CB-CG2 4.19Å; V225-V227 WeakPolarHBondContact CG1-O 3.31Å; V225-I240 HydrophobicContact CG1-CG2 4.38Å; V225-Q243 PolarHBondContact N-O 2.98Å; V225-M244 HydrophobicContact CB-CG 3.9Å; V225-M244 HydrophobicContact CG1-CG 4.01Å; V225-M244 CarbonylContact O-C 3.55Å; V225-M244 WeakPolarHBondContact O-CA 3.03Å; V225-M244 WeakPolarHBondContact O-CB 3.37Å; V225-N245 PolarHBondContact O-N 3.2Å
226D98.8Very high97.2Very high30 Ų3038 Ų3816%0.1622%0.215CC..EExtended strand (participates in β ladder)trans-96.5-36.7-179.7-52.1-70000111.5Q156 T157 N245 G248 H249Q156-D226 VanDerWaalsContact CA-OD2 3.22Å; Q156-D226 WeakPolarHBondContact CA-OD2 3.29Å; Q156-D226 HydrophobicContact CB-CB 3.98Å; Q156-D226 HydrophobicContact CG-CB 3.9Å; T157-D226 PolarHBondContact N-OD2 2.66Å; T157-D226 PolarHBondContact O-N 3.37Å; D226-N245 PolarHBondContact OD1-ND2 2.69Å; D226-G248 CarbonylContact O-C 3.5Å; D226-G248 VanDerWaalsContact O-CA 3.22Å; D226-G248 WeakPolarHBondContact O-CA 3.38Å; D226-H249 PolarHBondContact O-N 3.39Å
227V98.8Very high97.1Very high0 Ų033.3 Ų33.30%020%0.198CC..EExtended strand (participates in β ladder)trans-128.1129.4-178.8-167.40000110G148 V150 T157 M158 V159 V225 H249 I251G148-V227 WeakPolarHBondContact O-CG2 3.42Å; V150-V227 HydrophobicContact CG2-CG2 4.38Å; T157-V227 PolarHBondContact O-N 3.21Å; T157-V227 VanDerWaalsContact O-N 3.15Å; M158-V227 CarbonylContact C-O 3.4Å; M158-V227 VanDerWaalsContact CA-O 3.23Å; M158-V227 WeakPolarHBondContact CA-O 3.44Å; M158-V227 HydrophobicContact CB-CB 4.26Å; M158-V227 HydrophobicContact CE-CB 4.09Å; M158-V227 HydrophobicContact CE-CG1 3.48Å; M158-V227 VanDerWaalsContact CE-CG1 3.48Å; M158-V227 HydrophobicContact CG-CB 4.38Å; V159-V227 PolarHBondContact N-O 2.58Å; V225-V227 WeakPolarHBondContact CG1-O 3.31Å; V227-H249 CarbonylContact C-O 3.54Å; V227-H249 WeakPolarHBondContact CA-O 3.34Å; V227-I251 HydrophobicContact CG1-CD1 3.94Å; V227-I251 HydrophobicContact CG1-CG1 4.46Å
228Y98.8Very high97Very high0 Ų034.9 Ų34.90%021%0.207CC..EExtended strand (participates in β ladder)trans-120.9114.7174.7175.1-144.6000110.7V159 S161 D230 S237 I240 I241 H249 V250 I251V159-Y228 HydrophobicContact CB-CD2 4.39Å; V159-Y228 HydrophobicContact CG1-CD2 4.32Å; V159-Y228 WeakPolarHBondContact O-CA 3.45Å; V159-Y228 WeakPolarHBondContact O-CD2 3.43Å; S161-Y228 VanDerWaalsContact CB-OH 3.25Å; S161-Y228 WeakPolarHBondContact CB-OH 3.29Å; S161-Y228 PolarHBondContact OG-OH 2.92Å; Y228-D230 HydrophobicContact CD1-CB 4.15Å; Y228-D230 HydrophobicContact CE1-CB 3.55Å; Y228-D230 HydrophobicContact CE2-CB 4.15Å; Y228-D230 VanDerWaalsContact OH-CG 3.28Å; Y228-D230 PolarHBondContact OH-OD1 3.21Å; Y228-S237 PolarHBondContact OH-OG 3.28Å; Y228-I240 HydrophobicContact CD1-CB 4.32Å; Y228-I240 HydrophobicContact CD1-CG2 3.89Å; Y228-I240 HydrophobicContact CD2-CD1 4Å; Y228-I240 HydrophobicContact CD2-CG2 3.86Å; Y228-I240 HydrophobicContact CE1-CB 4.3Å; Y228-I240 HydrophobicContact CE1-CD1 4.11Å; Y228-I240 HydrophobicContact CE1-CG2 4.33Å; Y228-I240 HydrophobicContact CE2-CD1 3.37Å; Y228-I240 HydrophobicContact CE2-CG2 4.32Å; Y228-I240 HydrophobicContact CG-CB 4.5Å; Y228-I240 HydrophobicContact CG-CG2 3.67Å; Y228-I240 VanDerWaalsContact CZ-CD1 3.44Å; Y228-I241 HydrophobicContact CD1-CG1 4.42Å; Y228-H249 PolarHBondContact N-O 3.36Å; Y228-V250 HydrophobicContact CD1-CG1 3.76Å; Y228-V250 HydrophobicContact CD1-CG2 4.17Å; Y228-V250 HydrophobicContact CE1-CG1 4.36Å; Y228-V250 HydrophobicContact CG-CG1 4.47Å; Y228-V250 CarbonylContact O-C 3.52Å; Y228-V250 WeakPolarHBondContact O-CA 3.28Å; Y228-I251 PolarHBondContact O-N 3.47Å
229F98.8Very high96.9Very high0 Ų029.6 Ų29.60%019%0.186CC..EExtended strand (participates in β ladder)trans-89.8103.6170.7-162.3-71.1000109.8V144 V159 V160 S161 A171 N231 I251 C253V144-F229 HydrophobicContact CG2-CD2 3.86Å; V144-F229 HydrophobicContact CG2-CE2 4.06Å; V159-F229 PolarHBondContact O-N 2.9Å; V160-F229 HydrophobicContact CG1-CB 4.23Å; V160-F229 HydrophobicContact CG1-CD1 4.48Å; V160-F229 HydrophobicContact CG2-CB 4.18Å; S161-F229 PolarHBondContact N-O 3.44Å; A171-F229 HydrophobicContact CB-CD1 4.16Å; A171-F229 HydrophobicContact CB-CD2 3.63Å; A171-F229 HydrophobicContact CB-CE1 4.23Å; A171-F229 HydrophobicContact CB-CE2 3.72Å; A171-F229 HydrophobicContact CB-CG 3.86Å; A171-F229 HydrophobicContact CB-CZ 4.03Å; F229-N231 WeakPolarHBondContact CD1-ND2 3.41Å; F229-N231 WeakPolarHBondContact CE1-OD1 3.42Å; F229-I251 HydrophobicContact CD2-CB 4.2Å; F229-I251 HydrophobicContact CD2-CD1 3.72Å; F229-I251 HydrophobicContact CD2-CG2 4.12Å; F229-I251 HydrophobicContact CE2-CD1 4.42Å; F229-I251 HydrophobicContact CE2-CG2 4.09Å; F229-C253 HydrophobicContact CD1-CB 4.18Å; F229-C253 HydrophobicContact CE1-CB 3.44Å; F229-C253 VanDerWaalsContact CE1-CB 3.44Å; F229-C253 HydrophobicContact CZ-CB 3.79Å
230D98.3Very high96.9Very high0 Ų024 Ų240%016%0.159CC..EExtended strand (participates in β ladder)trans-94.5110.4-173.2-172.111.3000112.2S161 Y228 V232 G233 S237 V250 I251 L252 C253 G254S161-D230 PolarHBondContact OG-OD1 3.29Å; Y228-D230 HydrophobicContact CD1-CB 4.15Å; Y228-D230 HydrophobicContact CE1-CB 3.55Å; Y228-D230 HydrophobicContact CE2-CB 4.15Å; Y228-D230 VanDerWaalsContact OH-CG 3.28Å; Y228-D230 PolarHBondContact OH-OD1 3.21Å; D230-V232 PolarHBondContact OD1-N 3.15Å; D230-G233 PolarHBondContact OD1-N 3.29Å; D230-S237 VanDerWaalsContact CG-OG 3.3Å; D230-S237 PolarHBondContact OD1-OG 2.9Å; D230-S237 PolarHBondContact OD2-OG 3.21Å; D230-V250 HydrophobicContact CB-CG1 4.24Å; D230-I251 PolarHBondContact N-O 3.04Å; D230-L252 HydrophobicContact CB-CD1 4.39Å; D230-C253 WeakPolarHBondContact O-CA 3.46Å; D230-C253 WeakPolarHBondContact O-CB 3.21Å; D230-C253 PolarHBondContact O-N 2.82Å; D230-G254 CarbonylContact C-O 3.58Å; D230-G254 PolarHBondContact O-N 2.69Å; D230-G254 VanDerWaalsContact O-O 3.08Å
231N97.5Very high96.9Very high23 Ų2323.6 Ų23.612%0.12316%0.157CC..SBendtrans-106-6.7170.7-66.1-64.1000113.2S161 F229 C253 G254 I256S161-N231 WeakPolarHBondContact O-CB 3.14Å; S161-N231 PolarHBondContact O-ND2 3.45Å; S161-N231 PolarHBondContact OG-N 2.87Å; F229-N231 WeakPolarHBondContact CD1-ND2 3.41Å; F229-N231 WeakPolarHBondContact CE1-OD1 3.42Å; N231-C253 PolarHBondContact OD1-SG 2.79Å; N231-C253 VanDerWaalsContact OD1-SG 3.39Å; N231-G254 VanDerWaalsContact C-C 3.48Å; N231-G254 CarbonylContact C-O 3.52Å; N231-G254 WeakPolarHBondContact CA-O 3.11Å; N231-G254 CarbonylContact O-C 3.52Å; N231-I256 WeakPolarHBondContact O-CG2 3.17Å; N231-I256 PolarHBondContact O-N 3.03Å; N231-I256 VanDerWaalsContact O-N 3.11Å
232V95.6Very high96.9Very high27 Ų2726.1 Ų26.116%0.16417%0.168CC..SBendtrans-118.3-41.5-162.6-179.60000112.8S161 D230 G254 Q255 I256 S257S161-V232 PolarHBondContact OG-N 3.04Å; D230-V232 PolarHBondContact OD1-N 3.15Å; V232-G254 PolarHBondContact N-O 3.25Å; V232-Q255 CarbonylContact O-C 3.5Å; V232-Q255 VanDerWaalsContact O-C 3.25Å; V232-Q255 VanDerWaalsContact O-CA 3.32Å; V232-Q255 WeakPolarHBondContact O-CA 3.27Å; V232-I256 HydrophobicContact CG2-CG2 4.27Å; V232-I256 PolarHBondContact O-N 3.17Å; V232-S257 VanDerWaalsContact O-CB 3.3Å; V232-S257 WeakPolarHBondContact O-CB 3.34Å; V232-S257 PolarHBondContact O-N 2.91Å; V232-S257 VanDerWaalsContact O-N 3.16Å; V232-S257 PolarHBondContact O-OG 2.74Å
233G94Very high96.9Very high1 Ų122.3 Ų22.31%0.0114%0.141CC..  trans67.1-163.2-170.400000113.2D230 S237D230-G233 PolarHBondContact OD1-N 3.29Å; G233-S237 WeakPolarHBondContact CA-OG 3.34Å; G233-S237 PolarHBondContact N-OG 2.77Å; G233-S237 VanDerWaalsContact N-OG 3.1Å; G233-S237 PolarHBondContact O-OG 3.39Å; G233-S237 VanDerWaalsContact O-OG 3.07Å
234G93Very high97.1Very high20 Ų2019 Ų1921%0.20611%0.113CC..Hα-helixtrans60.3-156.5174.700000114.9V236 S237 D238G234-V236 PolarHBondContact O-N 3.3Å; G234-V236 VanDerWaalsContact O-N 3.15Å; G234-S237 WeakPolarHBondContact O-CA 3.4Å; G234-S237 WeakPolarHBondContact O-CB 3.37Å; G234-S237 PolarHBondContact O-N 2.94Å; G234-D238 PolarHBondContact O-N 2.9Å
235V93.5Very high97.1Very high116 Ų11620.7 Ų20.770%0.70312%0.12SC*.Hα-helixtrans-54.3-37.6-173.6178.90000113.2S237 D238 T239V235-S237 VanDerWaalsContact C-N 3.31Å; V235-S237 PolarHBondContact O-N 3.23Å; V235-D238 PolarHBondContact O-N 3.16Å; V235-T239 WeakPolarHBondContact O-CB 3.28Å; V235-T239 PolarHBondContact O-N 3.02Å; V235-T239 PolarHBondContact O-OG1 3.42Å
236V95.6Very high97.1Very high23 Ų2327.6 Ų27.614%0.13915%0.152CC..Hα-helixtrans-61.9-42.2176.8171.70000110.7I186 G234 T239 I240I186-V236 HydrophobicContact CD1-CG1 4.19Å; I186-V236 HydrophobicContact CG2-CG1 4.1Å; G234-V236 PolarHBondContact O-N 3.3Å; G234-V236 VanDerWaalsContact O-N 3.15Å; V236-T239 PolarHBondContact O-N 3.14Å; V236-I240 HydrophobicContact CG1-CD1 3.81Å; V236-I240 VanDerWaalsContact O-CD1 3.29Å; V236-I240 WeakPolarHBondContact O-CD1 3.41Å; V236-I240 VanDerWaalsContact O-CG1 3.23Å; V236-I240 WeakPolarHBondContact O-CG1 3.44Å; V236-I240 PolarHBondContact O-N 2.96Å; V236-I240 VanDerWaalsContact O-N 3.1Å
237S96.5Very high97Very high2 Ų231.6 Ų31.61%0.01417%0.17CC..Hα-helixtrans-70.2-44.6179.9-59.90000112Y228 D230 G233 G234 V235 T239 I240 I241Y228-S237 PolarHBondContact OH-OG 3.28Å; D230-S237 VanDerWaalsContact CG-OG 3.3Å; D230-S237 PolarHBondContact OD1-OG 2.9Å; D230-S237 PolarHBondContact OD2-OG 3.21Å; G233-S237 WeakPolarHBondContact CA-OG 3.34Å; G233-S237 PolarHBondContact N-OG 2.77Å; G233-S237 VanDerWaalsContact N-OG 3.1Å; G233-S237 PolarHBondContact O-OG 3.39Å; G233-S237 VanDerWaalsContact O-OG 3.07Å; G234-S237 WeakPolarHBondContact O-CA 3.4Å; G234-S237 WeakPolarHBondContact O-CB 3.37Å; G234-S237 PolarHBondContact O-N 2.94Å; V235-S237 VanDerWaalsContact C-N 3.31Å; V235-S237 PolarHBondContact O-N 3.23Å; S237-T239 VanDerWaalsContact C-N 3.27Å; S237-T239 PolarHBondContact O-N 2.95Å; S237-I240 PolarHBondContact O-N 3.19Å; S237-I241 VanDerWaalsContact O-CG1 3.29Å; S237-I241 WeakPolarHBondContact O-CG1 3.46Å; S237-I241 PolarHBondContact O-N 2.85Å
238D95.8Very high97Very high33 Ų3331.7 Ų31.718%0.17617%0.171CC..Hα-helixtrans-56.6-44.5174.5-71.618.6000110.3G234 V235 I240 I241 E242 S270 T273G234-D238 PolarHBondContact O-N 2.9Å; V235-D238 PolarHBondContact O-N 3.16Å; D238-I240 PolarHBondContact O-N 2.99Å; D238-I241 PolarHBondContact O-N 2.71Å; D238-E242 VanDerWaalsContact O-CG 3.29Å; D238-E242 WeakPolarHBondContact O-CG 3.33Å; D238-E242 PolarHBondContact O-N 3.39Å; D238-S270 PolarHBondContact OD2-OG 3.39Å; D238-T273 VanDerWaalsContact CG-OG1 3.26Å; D238-T273 PolarHBondContact OD2-OG1 2.92Å
239T96.8Very high97Very high23 Ų2333.5 Ų33.514%0.14118%0.179CC..Hα-helixtrans-62-38.9178.3-56.80000112.9V213 L217 V235 V236 S237V213-T239 HydrophobicContact CB-CG2 4.4Å; V213-T239 HydrophobicContact CG1-CG2 4.11Å; L217-T239 HydrophobicContact CD1-CG2 4.32Å; V235-T239 WeakPolarHBondContact O-CB 3.28Å; V235-T239 PolarHBondContact O-N 3.02Å; V235-T239 PolarHBondContact O-OG1 3.42Å; V236-T239 PolarHBondContact O-N 3.14Å; S237-T239 VanDerWaalsContact C-N 3.27Å; S237-T239 PolarHBondContact O-N 2.95Å
240I98.1Very high97Very high0 Ų033.6 Ų33.60%018%0.179CC..Hα-helixtrans-71.4-46.2178-64.6156.5000110.2V159 I186 L217 V225 Y228 V236 S237 D238 E242 Q243 M244V159-I240 HydrophobicContact CB-CG2 4.26Å; V159-I240 HydrophobicContact CG1-CD1 3.94Å; V159-I240 HydrophobicContact CG1-CG1 4.17Å; V159-I240 HydrophobicContact CG1-CG2 4.15Å; I186-I240 HydrophobicContact CD1-CD1 3.43Å; I186-I240 VanDerWaalsContact CD1-CD1 3.43Å; I186-I240 HydrophobicContact CD1-CG1 3.81Å; L217-I240 HydrophobicContact CD1-CB 4.42Å; L217-I240 HydrophobicContact CD1-CG1 3.69Å; V225-I240 HydrophobicContact CG1-CG2 4.38Å; Y228-I240 HydrophobicContact CD1-CB 4.32Å; Y228-I240 HydrophobicContact CD1-CG2 3.89Å; Y228-I240 HydrophobicContact CD2-CD1 4Å; Y228-I240 HydrophobicContact CD2-CG2 3.86Å; Y228-I240 HydrophobicContact CE1-CB 4.3Å; Y228-I240 HydrophobicContact CE1-CD1 4.11Å; Y228-I240 HydrophobicContact CE1-CG2 4.33Å; Y228-I240 HydrophobicContact CE2-CD1 3.37Å; Y228-I240 HydrophobicContact CE2-CG2 4.32Å; Y228-I240 HydrophobicContact CG-CB 4.5Å; Y228-I240 HydrophobicContact CG-CG2 3.67Å; Y228-I240 VanDerWaalsContact CZ-CD1 3.44Å; V236-I240 HydrophobicContact CG1-CD1 3.81Å; V236-I240 VanDerWaalsContact O-CD1 3.29Å; V236-I240 WeakPolarHBondContact O-CD1 3.41Å; V236-I240 VanDerWaalsContact O-CG1 3.23Å; V236-I240 WeakPolarHBondContact O-CG1 3.44Å; V236-I240 PolarHBondContact O-N 2.96Å; V236-I240 VanDerWaalsContact O-N 3.1Å; S237-I240 PolarHBondContact O-N 3.19Å; D238-I240 PolarHBondContact O-N 2.99Å; I240-E242 PolarHBondContact O-N 2.85Å; I240-Q243 CarbonylContact O-C 3.58Å; I240-Q243 WeakPolarHBondContact O-CA 3.32Å; I240-Q243 PolarHBondContact O-N 2.84Å; I240-M244 WeakPolarHBondContact O-CG 3.32Å; I240-M244 PolarHBondContact O-N 2.77Å
241I98Very high97Very high0 Ų033.6 Ų33.60%018%0.179CC..Hα-helixtrans-58.8-37.9179-67.6165.9000110.7Y228 S237 D238 Q243 M244 V250 T273 I276 L277Y228-I241 HydrophobicContact CD1-CG1 4.42Å; S237-I241 VanDerWaalsContact O-CG1 3.29Å; S237-I241 WeakPolarHBondContact O-CG1 3.46Å; S237-I241 PolarHBondContact O-N 2.85Å; D238-I241 PolarHBondContact O-N 2.71Å; I241-Q243 PolarHBondContact O-N 2.62Å; I241-Q243 VanDerWaalsContact O-N 3.11Å; I241-M244 HydrophobicContact CG1-SD 4.13Å; I241-M244 PolarHBondContact O-N 2.7Å; I241-M244 VanDerWaalsContact O-N 3.15Å; I241-V250 HydrophobicContact CG1-CG2 4.14Å; I241-T273 HydrophobicContact CB-CG2 4.23Å; I241-T273 HydrophobicContact CD1-CG2 3.75Å; I241-T273 HydrophobicContact CG2-CG2 3.87Å; I241-I276 HydrophobicContact CG2-CG2 4.07Å; I241-L277 HydrophobicContact CG2-CD2 3.7Å; I241-L277 HydrophobicContact CG2-CG 4.11Å
242E97.4Very high96.9Very high57 Ų5732.6 Ų32.627%0.26617%0.174SC..THydrogen-bonded Turntrans-58-23.1174-77.3-179.5-159.300114.3D238 I240 K272 I276 R280D238-E242 VanDerWaalsContact O-CG 3.29Å; D238-E242 WeakPolarHBondContact O-CG 3.33Å; D238-E242 PolarHBondContact O-N 3.39Å; I240-E242 PolarHBondContact O-N 2.85Å; E242-K272 WeakPolarHBondContact OE1-CE 3.27Å; E242-K272 IonicContact OE1-NZ 3.31Å; E242-K272 PolarHBondContact OE1-NZ 2.93Å; E242-K272 IonicContact OE2-NZ 3.81Å; E242-K272 PolarHBondContact OE2-NZ 3.41Å; E242-I276 HydrophobicContact CB-CD1 4.31Å; E242-I276 HydrophobicContact CG-CD1 3.54Å; E242-R280 VanDerWaalsContact C-NH1 3.33Å; E242-R280 PolarHBondContact O-NH1 3.41Å; E242-R280 PolarHBondContact O-NH2 3.4Å; E242-R280 VanDerWaalsContact O-NH2 3.16Å
243Q98Very high96.9Very high28 Ų2832.2 Ų32.213%0.13117%0.173CC..THydrogen-bonded Turntrans-111.68.8-179.3-57-166.828.500113.7S214 L217 K218 V225 I240 I241S214-Q243 VanDerWaalsContact CA-NE2 3.35Å; S214-Q243 PolarHBondContact O-NE2 2.56Å; S214-Q243 PolarHBondContact OG-NE2 3.05Å; L217-Q243 VanDerWaalsContact CB-OE1 3.27Å; K218-Q243 VanDerWaalsContact CG-OE1 3.28Å; V225-Q243 PolarHBondContact N-O 2.98Å; I240-Q243 CarbonylContact O-C 3.58Å; I240-Q243 WeakPolarHBondContact O-CA 3.32Å; I240-Q243 PolarHBondContact O-N 2.84Å; I241-Q243 PolarHBondContact O-N 2.62Å; I241-Q243 VanDerWaalsContact O-N 3.11Å
244M98.7Very high96.8Very high3 Ų332.5 Ų32.52%0.01518%0.175CC..EExtended strand (participates in β ladder)trans-74.9146.8174.1-74.3-178.572.800112.4V225 I240 I241 V250 R280 I282V225-M244 HydrophobicContact CB-CG 3.9Å; V225-M244 HydrophobicContact CG1-CG 4.01Å; V225-M244 CarbonylContact O-C 3.55Å; V225-M244 WeakPolarHBondContact O-CA 3.03Å; V225-M244 WeakPolarHBondContact O-CB 3.37Å; I240-M244 WeakPolarHBondContact O-CG 3.32Å; I240-M244 PolarHBondContact O-N 2.77Å; I241-M244 HydrophobicContact CG1-SD 4.13Å; I241-M244 PolarHBondContact O-N 2.7Å; I241-M244 VanDerWaalsContact O-N 3.15Å; M244-V250 HydrophobicContact CE-CG2 3.71Å; M244-V250 HydrophobicContact SD-CG2 3.44Å; M244-V250 WeakPolarHBondContact SD-CG2 3.49Å; M244-R280 VanDerWaalsContact O-CD 3.29Å; M244-R280 WeakPolarHBondContact O-CD 3.42Å; M244-R280 PolarHBondContact O-NH1 2.98Å; M244-I282 HydrophobicContact CB-CD1 3.59Å; M244-I282 HydrophobicContact CB-CG1 4.37Å; M244-I282 HydrophobicContact CE-CG2 3.72Å; M244-I282 HydrophobicContact SD-CG2 4.1Å
245N98.6Very high96.7Very high49 Ų4931.8 Ų31.826%0.26217%0.166SC..EExtended strand (participates in β ladder)trans-69.7165.3173.4-71.2-29.2000111.5A223 G224 V225 D226 G248 I282A223-N245 PolarHBondContact O-ND2 2.98Å; A223-N245 PolarHBondContact O-OD1 3.4Å; G224-N245 WeakPolarHBondContact CA-OD1 3.15Å; V225-N245 PolarHBondContact O-N 3.2Å; D226-N245 PolarHBondContact OD1-ND2 2.69Å; N245-G248 PolarHBondContact O-N 3.21Å; N245-I282 WeakPolarHBondContact O-CG1 3.36Å
246E98.1Very high96.6Very high144 Ų14428.5 Ų28.567%0.67314%0.144SC*.EExtended strand (participates in β ladder)trans-61146.8168.2-64.2178.9176.400110.3G248 R280E246-G248 PolarHBondContact O-N 3.41Å; E246-G248 VanDerWaalsContact O-N 3.15Å; E246-R280 CarbonylContact C-O 3.58Å; E246-R280 WeakPolarHBondContact CA-O 3.4Å; E246-R280 HydrophobicContact CG-CB 4.17Å; E246-R280 HydrophobicContact CG-CG 4.21Å
247E97.8Very high96.3Very high115 Ų11529.7 Ų29.754%0.53715%0.154SC..EExtended strand (participates in β ladder)trans61.317.5-177.4-50.3-63.7142.300114.1H249 R280 N281E247-H249 PolarHBondContact O-CD2 2.9Å; E247-H249 PolarHBondContact O-NE2 3.33Å; E247-R280 PolarHBondContact N-O 3.12Å; E247-N281 VanDerWaalsContact OE1-CB 3.27Å; E247-N281 WeakPolarHBondContact OE1-CB 3.34Å; E247-N281 PolarHBondContact OE1-ND2 2.95Å; E247-N281 PolarHBondContact OE2-ND2 3.42Å
248G98.3Very high95.9Very high2 Ų230.8 Ų30.82%0.02116%0.159CC..EExtended strand (participates in β ladder)trans-68.9164.3178.900000113.6D226 N245 E246 I282 A283D226-G248 CarbonylContact O-C 3.5Å; D226-G248 VanDerWaalsContact O-CA 3.22Å; D226-G248 WeakPolarHBondContact O-CA 3.38Å; N245-G248 PolarHBondContact O-N 3.21Å; E246-G248 PolarHBondContact O-N 3.41Å; E246-G248 VanDerWaalsContact O-N 3.15Å; G248-I282 CarbonylContact O-C 3.49Å; G248-I282 VanDerWaalsContact O-CA 3.3Å; G248-I282 WeakPolarHBondContact O-CA 3.36Å; G248-I282 WeakPolarHBondContact O-CG2 3.35Å; G248-A283 PolarHBondContact O-N 2.71Å
249H98.5Very high95.4Very high37 Ų3731.1 Ų31.117%0.17116%0.158CC..EExtended strand (participates in β ladder)trans-124.6121.3-176.4-60.7-86.7000112.3H149 D226 V227 Y228 E247 A283H149-H249 WeakPolarHBondContact CB-NE2 3.3Å; H149-H249 AromaticContact CD2-CE1 3.25Å; H149-H249 PolarHBondContact CD2-CE1 3.38Å; H149-H249 AromaticContact CD2-CG 3.72Å; H149-H249 AromaticContact CD2-ND1 3.19Å; H149-H249 PolarHBondContact CD2-ND1 2.9Å; H149-H249 AromaticContact CD2-NE2 3.77Å; H149-H249 AromaticContact CG-CE1 3.49Å; H149-H249 VanDerWaalsContact CG-CE1 3.49Å; H149-H249 AromaticContact CG-ND1 3.84Å; H149-H249 AromaticContact CG-NE2 3.6Å; H149-H249 AromaticContact NE2-CE1 3.82Å; H149-H249 AromaticContact NE2-ND1 3.85Å; D226-H249 PolarHBondContact O-N 3.39Å; V227-H249 CarbonylContact C-O 3.54Å; V227-H249 WeakPolarHBondContact CA-O 3.34Å; Y228-H249 PolarHBondContact N-O 3.36Å; E247-H249 PolarHBondContact O-CD2 2.9Å; E247-H249 PolarHBondContact O-NE2 3.33Å; H249-A283 CarbonylContact C-O 3.57Å; H249-A283 WeakPolarHBondContact CA-O 3.38Å
250V98.6Very high94.7Very high2 Ų231.9 Ų31.91%0.01216%0.161CC..EExtended strand (participates in β ladder)trans-100.6113.8171.3-177.10000109.4Y228 D230 I241 M244 L252 I282 A283 R284 E285Y228-V250 HydrophobicContact CD1-CG1 3.76Å; Y228-V250 HydrophobicContact CD1-CG2 4.17Å; Y228-V250 HydrophobicContact CE1-CG1 4.36Å; Y228-V250 HydrophobicContact CG-CG1 4.47Å; Y228-V250 CarbonylContact O-C 3.52Å; Y228-V250 WeakPolarHBondContact O-CA 3.28Å; D230-V250 HydrophobicContact CB-CG1 4.24Å; I241-V250 HydrophobicContact CG1-CG2 4.14Å; M244-V250 HydrophobicContact CE-CG2 3.71Å; M244-V250 HydrophobicContact SD-CG2 3.44Å; M244-V250 WeakPolarHBondContact SD-CG2 3.49Å; V250-L252 PolarHBondContact O-N 3.13Å; V250-I282 HydrophobicContact CG2-CG2 3.86Å; V250-A283 PolarHBondContact N-O 2.99Å; V250-R284 HydrophobicContact CB-CB 3.99Å; V250-R284 HydrophobicContact CB-CG 3.9Å; V250-R284 HydrophobicContact CG1-CG 3.95Å; V250-R284 HydrophobicContact CG2-CB 4.46Å; V250-E285 PolarHBondContact O-N 2.92Å
251I98.4Very high93.8Very high0 Ų036.7 Ų36.70%018%0.182CC..EExtended strand (participates in β ladder)trans-87.296.8171.9-49.5163.2000107.3G143 V144 K147 M158 V227 Y228 F229 D230 C253 F287G143-I251 WeakPolarHBondContact O-CD1 3.45Å; V144-I251 HydrophobicContact CG2-CD1 4.44Å; K147-I251 HydrophobicContact CB-CB 4.46Å; K147-I251 HydrophobicContact CB-CG1 3.89Å; K147-I251 HydrophobicContact CB-CG2 4.15Å; M158-I251 HydrophobicContact CE-CD1 4.35Å; V227-I251 HydrophobicContact CG1-CD1 3.94Å; V227-I251 HydrophobicContact CG1-CG1 4.46Å; Y228-I251 PolarHBondContact O-N 3.47Å; F229-I251 HydrophobicContact CD2-CB 4.2Å; F229-I251 HydrophobicContact CD2-CD1 3.72Å; F229-I251 HydrophobicContact CD2-CG2 4.12Å; F229-I251 HydrophobicContact CE2-CD1 4.42Å; F229-I251 HydrophobicContact CE2-CG2 4.09Å; D230-I251 PolarHBondContact N-O 3.04Å; I251-C253 PolarHBondContact O-N 3.1Å; I251-F287 HydrophobicContact CG2-CB 3.92Å; I251-F287 HydrophobicContact CG2-CG 4.38Å
252L96.8Very high93Very high2 Ų241.8 Ų41.81%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-79.890.3178.3177.469.3000110D230 V250 Q255 P266 R284 E285 R286 F287D230-L252 HydrophobicContact CB-CD1 4.39Å; V250-L252 PolarHBondContact O-N 3.13Å; L252-Q255 HydrophobicContact CD1-CG 3.61Å; L252-P266 HydrophobicContact CD2-CB 3.8Å; L252-P266 HydrophobicContact CD2-CG 4.26Å; L252-R284 VanDerWaalsContact CD2-NH2 3.33Å; L252-E285 WeakPolarHBondContact CB-O 3.19Å; L252-E285 PolarHBondContact N-O 3.24Å; L252-R286 HydrophobicContact CD2-CB 4.28Å; L252-F287 PolarHBondContact O-N 2.99Å
253C95.3Very high92.1Very high20 Ų2042 Ų4214%0.13521%0.214CC..  trans-84.6-46.1-179.5176.40000112.1T139 F229 D230 N231 I251T139-C253 WeakPolarHBondContact CG2-SG 3.29Å; F229-C253 HydrophobicContact CD1-CB 4.18Å; F229-C253 HydrophobicContact CE1-CB 3.44Å; F229-C253 VanDerWaalsContact CE1-CB 3.44Å; F229-C253 HydrophobicContact CZ-CB 3.79Å; D230-C253 WeakPolarHBondContact O-CA 3.46Å; D230-C253 WeakPolarHBondContact O-CB 3.21Å; D230-C253 PolarHBondContact O-N 2.82Å; N231-C253 PolarHBondContact OD1-SG 2.79Å; N231-C253 VanDerWaalsContact OD1-SG 3.39Å; I251-C253 PolarHBondContact O-N 3.1Å
254G91.3Very high91Very high6 Ų645.2 Ų45.26%0.06224%0.238CC..  trans-164.8166.4-178.300000111.4D230 N231 V232D230-G254 CarbonylContact C-O 3.58Å; D230-G254 PolarHBondContact O-N 2.69Å; D230-G254 VanDerWaalsContact O-O 3.08Å; N231-G254 VanDerWaalsContact C-C 3.48Å; N231-G254 CarbonylContact C-O 3.52Å; N231-G254 WeakPolarHBondContact CA-O 3.11Å; N231-G254 CarbonylContact O-C 3.52Å; V232-G254 PolarHBondContact N-O 3.25Å
255Q90.8Very high89.8Confident5 Ų548.6 Ų48.62%0.02325%0.251CS..  trans-137.264.2179.6-60.7-173.3-7800111V232 L252 S257 Q258 Y259 Y265V232-Q255 CarbonylContact O-C 3.5Å; V232-Q255 VanDerWaalsContact O-C 3.25Å; V232-Q255 VanDerWaalsContact O-CA 3.32Å; V232-Q255 WeakPolarHBondContact O-CA 3.27Å; L252-Q255 HydrophobicContact CD1-CG 3.61Å; Q255-S257 PolarHBondContact O-N 2.82Å; Q255-Q258 HydrophobicContact CB-CB 4.5Å; Q255-Q258 HydrophobicContact CB-CG 4.12Å; Q255-Q258 WeakPolarHBondContact O-CB 3.39Å; Q255-Q258 PolarHBondContact O-N 3.49Å; Q255-Y259 WeakPolarHBondContact O-CD1 3.43Å; Q255-Y259 WeakPolarHBondContact O-CE1 3.37Å; Q255-Y265 HydrophobicContact CB-CE2 4.12Å; Q255-Y265 HydrophobicContact CG-CE2 4.3Å
256I91Very high88.9Confident47 Ų4748.7 Ų48.724%0.24125%0.254CS..G310 helixtrans-56.9-28.1-172.4-166.3176.6000113.7P50 N231 V232 Q258 Y259 M333P50-I256 HydrophobicContact CB-CD1 3.6Å; P50-I256 HydrophobicContact CB-CG1 4.01Å; P50-I256 HydrophobicContact CG-CD1 3.69Å; N231-I256 WeakPolarHBondContact O-CG2 3.17Å; N231-I256 PolarHBondContact O-N 3.03Å; N231-I256 VanDerWaalsContact O-N 3.11Å; V232-I256 HydrophobicContact CG2-CG2 4.27Å; V232-I256 PolarHBondContact O-N 3.17Å; I256-Q258 PolarHBondContact O-N 3.3Å; I256-Y259 HydrophobicContact CB-CD2 4.14Å; I256-Y259 HydrophobicContact CB-CE2 4.03Å; I256-Y259 HydrophobicContact CG1-CD2 3.78Å; I256-Y259 HydrophobicContact CG1-CE2 4.01Å; I256-Y259 PolarHBondContact O-N 3.45Å; I256-M333 HydrophobicContact CD1-CE 4.4Å; I256-M333 HydrophobicContact CD1-SD 4.26Å; I256-M333 HydrophobicContact CG1-CE 4.15Å
257S89.4Confident88Confident48 Ų4842.5 Ų42.534%0.33623%0.226SC..G310 helixtrans-66.1-9.2177.170.20000114.1V232 Q255 K261V232-S257 VanDerWaalsContact O-CB 3.3Å; V232-S257 WeakPolarHBondContact O-CB 3.34Å; V232-S257 PolarHBondContact O-N 2.91Å; V232-S257 VanDerWaalsContact O-N 3.16Å; V232-S257 PolarHBondContact O-OG 2.74Å; Q255-S257 PolarHBondContact O-N 2.82Å; S257-K261 WeakPolarHBondContact O-CE 3.29Å
258Q89.3Confident87.4Confident26 Ų2641.9 Ų41.912%0.12123%0.232CC..G310 helixtrans-111.7-5-176.1-47.3-62.4-39.700112.2Q255 I256 N260 K261 V263 P267Q255-Q258 HydrophobicContact CB-CB 4.5Å; Q255-Q258 HydrophobicContact CB-CG 4.12Å; Q255-Q258 WeakPolarHBondContact O-CB 3.39Å; Q255-Q258 PolarHBondContact O-N 3.49Å; I256-Q258 PolarHBondContact O-N 3.3Å; Q258-N260 VanDerWaalsContact C-N 3.27Å; Q258-N260 PolarHBondContact O-N 2.73Å; Q258-K261 WeakPolarHBondContact O-CB 3.39Å; Q258-K261 PolarHBondContact O-N 3.5Å; Q258-V263 HydrophobicContact CB-CG2 4.28Å; Q258-P267 HydrophobicContact CB-CG 3.86Å; Q258-P267 HydrophobicContact CG-CG 3.89Å
259Y84.9Confident86.9Confident40 Ų4043.1 Ų43.116%0.15724%0.238CC..THydrogen-bonded Turntrans-70.9-18.6-175.2-66.3-9.3000114.7P50 Q255 I256 K261 Y265P50-Y259 HydrophobicContact CB-CD2 4.24Å; P50-Y259 HydrophobicContact CB-CE2 3.74Å; Q255-Y259 WeakPolarHBondContact O-CD1 3.43Å; Q255-Y259 WeakPolarHBondContact O-CE1 3.37Å; I256-Y259 HydrophobicContact CB-CD2 4.14Å; I256-Y259 HydrophobicContact CB-CE2 4.03Å; I256-Y259 HydrophobicContact CG1-CD2 3.78Å; I256-Y259 HydrophobicContact CG1-CE2 4.01Å; I256-Y259 PolarHBondContact O-N 3.45Å; Y259-K261 VanDerWaalsContact C-N 3.34Å; Y259-Y265 HydrophobicContact CE1-CE2 4.5Å
260N81.8Confident86.5Confident38 Ų3843.6 Ų43.620%0.20325%0.245CC..THydrogen-bonded Turntrans-99.827.5171.5-60-32000111.2N14 N15 G16 R53 Q258N14-N260 CarbonylContact O-C 3.59Å; N15-N260 CarbonylContact C-O 3.51Å; N15-N260 VanDerWaalsContact CA-O 3.28Å; N15-N260 WeakPolarHBondContact CA-O 3.31Å; G16-N260 PolarHBondContact O-OD1 2.78Å; R53-N260 WeakPolarHBondContact CD-OD1 3.41Å; R53-N260 PolarHBondContact NE-OD1 3.42Å; Q258-N260 VanDerWaalsContact C-N 3.27Å; Q258-N260 PolarHBondContact O-N 2.73Å
261K79.4Confident86.3Confident101 Ų10149.9 Ų49.944%0.43928%0.279SS..SBendtrans-133.2140.9-179.5-59-175.9-166.8167.30110.3N15 S257 Q258 Y259 V263N15-K261 WeakPolarHBondContact OD1-CA 3.28Å; S257-K261 WeakPolarHBondContact O-CE 3.29Å; Q258-K261 WeakPolarHBondContact O-CB 3.39Å; Q258-K261 PolarHBondContact O-N 3.5Å; Y259-K261 VanDerWaalsContact C-N 3.34Å; K261-V263 VanDerWaalsContact C-N 3.32Å; K261-V263 HydrophobicContact CB-CG1 4.42Å; K261-V263 HydrophobicContact CB-CG2 4.06Å; K261-V263 PolarHBondContact O-N 3.05Å
262D81.4Confident86.2Confident108 Ų10855 Ų5558%0.57830%0.302SS*.  trans-81.877.9174.9-158.5-8.4000110.4N14 N15N14-D262 HydrophobicContact CB-CB 4.1Å; N14-D262 PolarHBondContact ND2-OD2 3.29Å; N15-D262 PolarHBondContact OD1-N 3.47Å
263V77Confident86.1Confident60 Ų6055 Ų5536%0.36430%0.301SS..  trans-135.4147.6-179.7-68.60000110.7Q258 K261 P267Q258-V263 HydrophobicContact CB-CG2 4.28Å; K261-V263 VanDerWaalsContact C-N 3.32Å; K261-V263 HydrophobicContact CB-CG1 4.42Å; K261-V263 HydrophobicContact CB-CG2 4.06Å; K261-V263 PolarHBondContact O-N 3.05Å; V263-P267 HydrophobicContact CB-CB 4.45Å; V263-P267 HydrophobicContact CB-CG 4.42Å; V263-P267 HydrophobicContact CG2-CB 4.05Å; V263-P267 HydrophobicContact CG2-CG 3.61Å
264P76.6Confident86.1Confident97 Ų9757.9 Ų57.963%0.6331%0.313SS*.  trans-57.6152.5174.8-19.730.1000111.4P266 P267P264-P266 CarbonylContact O-C 3.56Å; P264-P267 WeakPolarHBondContact O-CA 3.49Å; P264-P267 WeakPolarHBondContact O-CD 3.01Å; P264-P267 WeakPolarHBondContact O-CG 3.49Å
265Y73.3Confident86.4Confident74 Ų7462.8 Ų62.829%0.2933%0.334SS..SBendtrans-111131.6174.8-169-89.4000112.5Q255 Y259Q255-Y265 HydrophobicContact CB-CE2 4.12Å; Q255-Y265 HydrophobicContact CG-CE2 4.3Å; Y259-Y265 HydrophobicContact CE1-CE2 4.5Å
266P78.7Confident86.7Confident50 Ų5063 Ų6333%0.32534%0.335SS..SBendcis-69.4145.3-7.330.7-34.6000111L252 P264L252-P266 HydrophobicContact CD2-CB 3.8Å; L252-P266 HydrophobicContact CD2-CG 4.26Å; P264-P266 CarbonylContact O-C 3.56Å
267P80.4Confident87Confident15 Ų1561.8 Ų61.810%0.09733%0.329CS..PPolyproline II helixtrans-58.6143.6-179.7-30.542.5000111.7Q258 V263 P264 L269Q258-P267 HydrophobicContact CB-CG 3.86Å; Q258-P267 HydrophobicContact CG-CG 3.89Å; V263-P267 HydrophobicContact CB-CB 4.45Å; V263-P267 HydrophobicContact CB-CG 4.42Å; V263-P267 HydrophobicContact CG2-CB 4.05Å; V263-P267 HydrophobicContact CG2-CG 3.61Å; P264-P267 WeakPolarHBondContact O-CA 3.49Å; P264-P267 WeakPolarHBondContact O-CD 3.01Å; P264-P267 WeakPolarHBondContact O-CG 3.49Å; P267-L269 PolarHBondContact O-N 3.05Å
268P83.7Confident87.4Confident102 Ų10266.8 Ų66.866%0.66235%0.347SS*.PPolyproline II helixtrans-59.2138.7-178.824.8-33.3000109.9
269L88.6Confident87.9Confident28 Ų2872.6 Ų72.615%0.14737%0.368CS..PPolyproline II helixtrans-78.8150.5174.9-62.1176.7000109.9P267 T273 Q274 L277P267-L269 PolarHBondContact O-N 3.05Å; L269-T273 HydrophobicContact CB-CG2 4.32Å; L269-T273 HydrophobicContact CD1-CG2 4.17Å; L269-T273 HydrophobicContact CD2-CG2 4.3Å; L269-Q274 HydrophobicContact CB-CG 3.85Å; L269-Q274 PolarHBondContact O-NE2 2.93Å; L269-L277 HydrophobicContact CD1-CD1 3.44Å; L269-L277 VanDerWaalsContact CD1-CD1 3.44Å
270S90.2Very high88.5Confident46 Ų4673.3 Ų73.332%0.32237%0.371SS..PPolyproline II helixtrans-60.4148170.253.60000111.4D238 K272 T273 Q274D238-S270 PolarHBondContact OD2-OG 3.39Å; S270-K272 PolarHBondContact O-N 2.84Å; S270-T273 WeakPolarHBondContact O-CA 3.34Å; S270-T273 WeakPolarHBondContact O-CB 3.43Å; S270-T273 PolarHBondContact O-N 3.31Å; S270-T273 WeakPolarHBondContact OG-CB 3.16Å; S270-T273 PolarHBondContact OG-OG1 2.85Å; S270-Q274 PolarHBondContact O-N 2.91Å
271D94.1Very high89.3Confident135 Ų13576 Ų7672%0.72239%0.385SS*.Hα-helixtrans-53.6-41179.8-64.4-19.8000111.8T273 Q274 E275D271-T273 PolarHBondContact O-N 3.2Å; D271-Q274 PolarHBondContact O-N 3.3Å; D271-E275 WeakPolarHBondContact O-CB 3.2Å; D271-E275 PolarHBondContact O-N 3.12Å
272K95.4Very high90.2Very high108 Ų10871.8 Ų71.847%0.4737%0.367SS..Hα-helixtrans-57.9-45.9174.1-176.1-173.3176.4-163.20112.1E242 S270 E275 I276E242-K272 WeakPolarHBondContact OE1-CE 3.27Å; E242-K272 IonicContact OE1-NZ 3.31Å; E242-K272 PolarHBondContact OE1-NZ 2.93Å; E242-K272 IonicContact OE2-NZ 3.81Å; E242-K272 PolarHBondContact OE2-NZ 3.41Å; S270-K272 PolarHBondContact O-N 2.84Å; K272-E275 PolarHBondContact O-N 3.42Å; K272-I276 HydrophobicContact CG-CD1 4.09Å; K272-I276 VanDerWaalsContact O-CG1 3.27Å; K272-I276 WeakPolarHBondContact O-CG1 3.32Å; K272-I276 PolarHBondContact O-N 3.15Å
273T95.5Very high90.9Very high1 Ų168.1 Ų68.11%0.00635%0.352CS..Hα-helixtrans-66.8-39.8178.9-60.30000110.7D238 I241 L269 S270 D271 I276 L277D238-T273 VanDerWaalsContact CG-OG1 3.26Å; D238-T273 PolarHBondContact OD2-OG1 2.92Å; I241-T273 HydrophobicContact CB-CG2 4.23Å; I241-T273 HydrophobicContact CD1-CG2 3.75Å; I241-T273 HydrophobicContact CG2-CG2 3.87Å; L269-T273 HydrophobicContact CB-CG2 4.32Å; L269-T273 HydrophobicContact CD1-CG2 4.17Å; L269-T273 HydrophobicContact CD2-CG2 4.3Å; S270-T273 WeakPolarHBondContact O-CA 3.34Å; S270-T273 WeakPolarHBondContact O-CB 3.43Å; S270-T273 PolarHBondContact O-N 3.31Å; S270-T273 WeakPolarHBondContact OG-CB 3.16Å; S270-T273 PolarHBondContact OG-OG1 2.85Å; D271-T273 PolarHBondContact O-N 3.2Å; T273-I276 PolarHBondContact O-N 3.17Å; T273-L277 HydrophobicContact CG2-CD1 4.5Å; T273-L277 WeakPolarHBondContact O-CG 3.42Å; T273-L277 PolarHBondContact O-N 2.89Å
274Q95.6Very high91.9Very high81 Ų8168 Ų6838%0.37935%0.345SS..Hα-helixtrans-62-44.7175.2-63.7-177.529.300111.9L269 S270 D271 I276 L277 Q278L269-Q274 HydrophobicContact CB-CG 3.85Å; L269-Q274 PolarHBondContact O-NE2 2.93Å; S270-Q274 PolarHBondContact O-N 2.91Å; D271-Q274 PolarHBondContact O-N 3.3Å; Q274-I276 VanDerWaalsContact C-N 3.31Å; Q274-I276 PolarHBondContact O-N 2.72Å; Q274-L277 PolarHBondContact O-N 3.25Å; Q274-Q278 WeakPolarHBondContact O-CG 3.34Å; Q274-Q278 PolarHBondContact O-N 2.88Å
275E97.4Very high92.6Very high109 Ų10966.7 Ų66.751%0.50933%0.33SS..Hα-helixtrans-59.3-42.7175.8-171.5-165.4152.200111.2D271 K272 Q278 R279D271-E275 WeakPolarHBondContact O-CB 3.2Å; D271-E275 PolarHBondContact O-N 3.12Å; K272-E275 PolarHBondContact O-N 3.42Å; E275-Q278 PolarHBondContact O-N 2.88Å; E275-R279 WeakPolarHBondContact O-CB 3.32Å; E275-R279 PolarHBondContact O-N 3.46Å; E275-R279 IonicContact OE1-NH1 2.59Å
276I97.8Very high93.6Very high8 Ų868.2 Ų68.24%0.04134%0.335CS..Hα-helixtrans-65.8-45.5179.2-70.1167.1000111.4I241 E242 K272 T273 Q274 Q278 R279 R280 I282I241-I276 HydrophobicContact CG2-CG2 4.07Å; E242-I276 HydrophobicContact CB-CD1 4.31Å; E242-I276 HydrophobicContact CG-CD1 3.54Å; K272-I276 HydrophobicContact CG-CD1 4.09Å; K272-I276 VanDerWaalsContact O-CG1 3.27Å; K272-I276 WeakPolarHBondContact O-CG1 3.32Å; K272-I276 PolarHBondContact O-N 3.15Å; T273-I276 PolarHBondContact O-N 3.17Å; Q274-I276 VanDerWaalsContact C-N 3.31Å; Q274-I276 PolarHBondContact O-N 2.72Å; I276-Q278 VanDerWaalsContact C-N 3.28Å; I276-Q278 PolarHBondContact O-N 3.09Å; I276-R279 PolarHBondContact O-N 2.63Å; I276-R280 WeakPolarHBondContact O-CB 3.24Å; I276-R280 PolarHBondContact O-N 3Å; I276-I282 HydrophobicContact CG2-CD1 4.31Å
277L97.4Very high94.3Very high23 Ų2366 Ų6612%0.1232%0.321CS..Hα-helixtrans-56.8-45.4176.8-70.9176.4000110.8I241 L269 T273 Q274 N281 I282 R284I241-L277 HydrophobicContact CG2-CD2 3.7Å; I241-L277 HydrophobicContact CG2-CG 4.11Å; L269-L277 HydrophobicContact CD1-CD1 3.44Å; L269-L277 VanDerWaalsContact CD1-CD1 3.44Å; T273-L277 HydrophobicContact CG2-CD1 4.5Å; T273-L277 WeakPolarHBondContact O-CG 3.42Å; T273-L277 PolarHBondContact O-N 2.89Å; Q274-L277 PolarHBondContact O-N 3.25Å; L277-N281 WeakPolarHBondContact O-CA 3.42Å; L277-N281 PolarHBondContact O-N 2.64Å; L277-N281 VanDerWaalsContact O-N 3.1Å; L277-I282 HydrophobicContact CD2-CB 3.64Å; L277-I282 HydrophobicContact CD2-CD1 4.43Å; L277-I282 HydrophobicContact CD2-CG2 3.44Å; L277-I282 VanDerWaalsContact CD2-CG2 3.44Å; L277-I282 PolarHBondContact O-N 3.36Å; L277-R284 HydrophobicContact CD1-CB 4.27Å; L277-R284 HydrophobicContact CD2-CB 4.35Å
278Q97.6Very high94.9Very high152 Ų15267.1 Ų67.171%0.7133%0.325SS*.Hα-helixtrans-67-50.7178.2-69.817611.900112.1Q274 E275 I276 R280 N281Q274-Q278 WeakPolarHBondContact O-CG 3.34Å; Q274-Q278 PolarHBondContact O-N 2.88Å; E275-Q278 PolarHBondContact O-N 2.88Å; I276-Q278 VanDerWaalsContact C-N 3.28Å; I276-Q278 PolarHBondContact O-N 3.09Å; Q278-R280 VanDerWaalsContact C-N 3.31Å; Q278-R280 PolarHBondContact O-N 3.01Å; Q278-N281 PolarHBondContact O-N 2.85Å
279R98.2Very high95.5Very high148 Ų14862.8 Ų62.856%0.55830%0.297SS*.Hα-helixtrans-62.9-36.2-175.7-176.3-177.667-159.9-3.3112.8E275 I276E275-R279 WeakPolarHBondContact O-CB 3.32Å; E275-R279 PolarHBondContact O-N 3.46Å; E275-R279 IonicContact OE1-NH1 2.59Å; I276-R279 PolarHBondContact O-N 2.63Å
280R98.4Very high95.7Very high56 Ų5665.4 Ų65.421%0.21131%0.311CS..THydrogen-bonded Turntrans-96.94.1-179.3-66.2-172-176.4155.76.7113.2E242 M244 E246 E247 I276 Q278 I282E242-R280 VanDerWaalsContact C-NH1 3.33Å; E242-R280 PolarHBondContact O-NH1 3.41Å; E242-R280 PolarHBondContact O-NH2 3.4Å; E242-R280 VanDerWaalsContact O-NH2 3.16Å; M244-R280 VanDerWaalsContact O-CD 3.29Å; M244-R280 WeakPolarHBondContact O-CD 3.42Å; M244-R280 PolarHBondContact O-NH1 2.98Å; E246-R280 CarbonylContact C-O 3.58Å; E246-R280 WeakPolarHBondContact CA-O 3.4Å; E246-R280 HydrophobicContact CG-CB 4.17Å; E246-R280 HydrophobicContact CG-CG 4.21Å; E247-R280 PolarHBondContact N-O 3.12Å; I276-R280 WeakPolarHBondContact O-CB 3.24Å; I276-R280 PolarHBondContact O-N 3Å; Q278-R280 VanDerWaalsContact C-N 3.31Å; Q278-R280 PolarHBondContact O-N 3.01Å; R280-I282 HydrophobicContact CB-CD1 3.75Å; R280-I282 HydrophobicContact CB-CG1 3.82Å; R280-I282 PolarHBondContact O-N 3.25Å
281N98Very high96Very high95 Ų9567.5 Ų67.551%0.50833%0.326SS..THydrogen-bonded Turntrans49.142.2-175.2-163.733.2000113.2E247 L277 Q278 A283E247-N281 VanDerWaalsContact OE1-CB 3.27Å; E247-N281 WeakPolarHBondContact OE1-CB 3.34Å; E247-N281 PolarHBondContact OE1-ND2 2.95Å; E247-N281 PolarHBondContact OE2-ND2 3.42Å; L277-N281 WeakPolarHBondContact O-CA 3.42Å; L277-N281 PolarHBondContact O-N 2.64Å; L277-N281 VanDerWaalsContact O-N 3.1Å; Q278-N281 PolarHBondContact O-N 2.85Å; N281-A283 PolarHBondContact O-N 3.1Å
282I98.5Very high96.1Very high11 Ų1163.1 Ų63.16%0.05630%0.299CS..  trans-80.2120.8178.8-66.2161000108.3M244 N245 G248 V250 I276 L277 R280 R284M244-I282 HydrophobicContact CB-CD1 3.59Å; M244-I282 HydrophobicContact CB-CG1 4.37Å; M244-I282 HydrophobicContact CE-CG2 3.72Å; M244-I282 HydrophobicContact SD-CG2 4.1Å; N245-I282 WeakPolarHBondContact O-CG1 3.36Å; G248-I282 CarbonylContact O-C 3.49Å; G248-I282 VanDerWaalsContact O-CA 3.3Å; G248-I282 WeakPolarHBondContact O-CA 3.36Å; G248-I282 WeakPolarHBondContact O-CG2 3.35Å; V250-I282 HydrophobicContact CG2-CG2 3.86Å; I276-I282 HydrophobicContact CG2-CD1 4.31Å; L277-I282 HydrophobicContact CD2-CB 3.64Å; L277-I282 HydrophobicContact CD2-CD1 4.43Å; L277-I282 HydrophobicContact CD2-CG2 3.44Å; L277-I282 VanDerWaalsContact CD2-CG2 3.44Å; L277-I282 PolarHBondContact O-N 3.36Å; R280-I282 HydrophobicContact CB-CD1 3.75Å; R280-I282 HydrophobicContact CB-CG1 3.82Å; R280-I282 PolarHBondContact O-N 3.25Å; I282-R284 PolarHBondContact O-N 3.17Å
283A97.6Very high96Very high32 Ų3262.3 Ų62.326%0.26430%0.298SS..EExtended strand (participates in β ladder)trans-73.9124.5172.900000109.7G248 H249 V250 N281G248-A283 PolarHBondContact O-N 2.71Å; H249-A283 CarbonylContact C-O 3.57Å; H249-A283 WeakPolarHBondContact CA-O 3.38Å; V250-A283 PolarHBondContact N-O 2.99Å; N281-A283 PolarHBondContact O-N 3.1Å
284R96.1Very high96.1Very high58 Ų5867.9 Ų67.922%0.21934%0.337CS..EExtended strand (participates in β ladder)trans-120.4107.5172.2178.2175.1177-86.23.8110.3V250 L252 L277 I282V250-R284 HydrophobicContact CB-CB 3.99Å; V250-R284 HydrophobicContact CB-CG 3.9Å; V250-R284 HydrophobicContact CG1-CG 3.95Å; V250-R284 HydrophobicContact CG2-CB 4.46Å; L252-R284 VanDerWaalsContact CD2-NH2 3.33Å; L277-R284 HydrophobicContact CD1-CB 4.27Å; L277-R284 HydrophobicContact CD2-CB 4.35Å; I282-R284 PolarHBondContact O-N 3.17Å
285E92.9Very high96.2Very high68 Ų6868 Ų6832%0.31834%0.337SS..EExtended strand (participates in β ladder)trans-120.9128.6-170.7-67.3-172.1-117.900111.7K147 V250 L252 F287K147-E285 HydrophobicContact CD-CB 4.04Å; K147-E285 WeakPolarHBondContact CD-OE2 3.21Å; K147-E285 WeakPolarHBondContact CE-OE2 3.38Å; K147-E285 IonicContact NZ-OE2 3.18Å; K147-E285 PolarHBondContact NZ-OE2 3.42Å; V250-E285 PolarHBondContact O-N 2.92Å; L252-E285 WeakPolarHBondContact CB-O 3.19Å; L252-E285 PolarHBondContact N-O 3.24Å; E285-F287 PolarHBondContact O-N 2.66Å
286R92.6Very high96.2Very high106 Ų10663.2 Ų63.240%0.432%0.315SS..EExtended strand (participates in β ladder)trans-64.4125.6169.3-176.6175.8174.5166.8-2.1108.9L252L252-R286 HydrophobicContact CD2-CB 4.28Å
287F94.6Very high96.1Very high3 Ų370.9 Ų70.91%0.01335%0.351CS..  trans-105122.5173.2178.5-100.2000110T139 L142 G143 K147 I251 L252 E285 V289 Y292T139-F287 HydrophobicContact CG2-CD1 4.32Å; T139-F287 HydrophobicContact CG2-CE1 4.08Å; T139-F287 WeakPolarHBondContact O-CE1 3.41Å; L142-F287 HydrophobicContact CB-CE2 4.21Å; L142-F287 HydrophobicContact CB-CZ 3.71Å; G143-F287 VanDerWaalsContact N-CZ 3.28Å; K147-F287 HydrophobicContact CG-CB 4.45Å; K147-F287 HydrophobicContact CG-CD2 3.94Å; I251-F287 HydrophobicContact CG2-CB 3.92Å; I251-F287 HydrophobicContact CG2-CG 4.38Å; L252-F287 PolarHBondContact O-N 2.99Å; E285-F287 PolarHBondContact O-N 2.66Å; F287-V289 HydrophobicContact CE1-CB 3.95Å; F287-V289 HydrophobicContact CZ-CB 4.22Å; F287-Y292 HydrophobicContact CD2-CD2 4.41Å; F287-Y292 AromaticContact CD2-CE2 3.91Å; F287-Y292 HydrophobicContact CD2-CE2 3.91Å; F287-Y292 AromaticContact CE2-CD2 3.64Å; F287-Y292 HydrophobicContact CE2-CD2 3.64Å; F287-Y292 AromaticContact CE2-CE2 3.52Å; F287-Y292 HydrophobicContact CE2-CE2 3.52Å; F287-Y292 HydrophobicContact CE2-CG 4.38Å; F287-Y292 HydrophobicContact CZ-CD2 4.16Å; F287-Y292 HydrophobicContact CZ-CE2 4.45Å
288M93.6Very high96.1Very high39 Ų3973.2 Ų73.219%0.19237%0.374CS..  trans-122.5107.3173.8-170.791.2-48.200109.8Y64 L290 S291 Y292Y64-M288 HydrophobicContact CD1-SD 4.24Å; Y64-M288 HydrophobicContact CE1-SD 3.7Å; Y64-M288 HydrophobicContact CE2-SD 4.32Å; M288-L290 HydrophobicContact CG-CB 4.2Å; M288-L290 PolarHBondContact O-N 2.81Å; M288-L290 VanDerWaalsContact O-N 3.1Å; M288-S291 WeakPolarHBondContact O-CB 3.29Å; M288-S291 PolarHBondContact O-N 2.89Å; M288-Y292 WeakPolarHBondContact O-CD2 3.17Å
289V95.1Very high96.2Very high12 Ų1266.3 Ų66.37%0.07334%0.342CS..G310 helixtrans-54.9-32.8-177.666.10000113.1M135 L138 F287 S291 Y292M135-V289 HydrophobicContact CE-CG1 3.48Å; M135-V289 VanDerWaalsContact CE-CG1 3.48Å; M135-V289 HydrophobicContact CE-CG2 4.46Å; L138-V289 HydrophobicContact CB-CG2 3.74Å; F287-V289 HydrophobicContact CE1-CB 3.95Å; F287-V289 HydrophobicContact CZ-CB 4.22Å; V289-S291 PolarHBondContact O-N 2.85Å; V289-Y292 WeakPolarHBondContact O-CA 3.46Å; V289-Y292 PolarHBondContact O-N 2.9Å
290L93.3Very high96.1Very high82 Ų8261.3 Ų61.343%0.42933%0.326SS..G310 helixtrans-62-23.1177.7-62.2178.8000113.2Y64 M135 M288 Y292 M293Y64-L290 HydrophobicContact CD2-CD1 3.93Å; Y64-L290 HydrophobicContact CG-CD1 4.25Å; M135-L290 HydrophobicContact CE-CD2 3.77Å; M288-L290 HydrophobicContact CG-CB 4.2Å; M288-L290 PolarHBondContact O-N 2.81Å; M288-L290 VanDerWaalsContact O-N 3.1Å; L290-Y292 PolarHBondContact O-N 3.23Å; L290-M293 HydrophobicContact CD2-SD 4.36Å; L290-M293 WeakPolarHBondContact O-CG 3.46Å
291S95.4Very high96.1Very high91 Ų9164.7 Ų64.764%0.63634%0.343SS*.G310 helixtrans-76-6.9173.7-55.30000113.3M288 V289M288-S291 WeakPolarHBondContact O-CB 3.29Å; M288-S291 PolarHBondContact O-N 2.89Å; V289-S291 PolarHBondContact O-N 2.85Å
292Y96.2Very high96.2Very high43 Ų4363.1 Ų63.117%0.16933%0.333CS..G310 helixtrans-120.419.9-175.4-64.2-93.3000113E146 K147 F287 M288 V289 L290 S294 K295E146-Y292 HydrophobicContact CB-CE1 3.94Å; E146-Y292 HydrophobicContact CG-CD1 3.92Å; E146-Y292 HydrophobicContact CG-CE1 3.63Å; E146-Y292 WeakPolarHBondContact OE2-CE1 3.18Å; K147-Y292 VanDerWaalsContact CE-OH 3.24Å; K147-Y292 WeakPolarHBondContact CE-OH 3.49Å; F287-Y292 HydrophobicContact CD2-CD2 4.41Å; F287-Y292 AromaticContact CD2-CE2 3.91Å; F287-Y292 HydrophobicContact CD2-CE2 3.91Å; F287-Y292 AromaticContact CE2-CD2 3.64Å; F287-Y292 HydrophobicContact CE2-CD2 3.64Å; F287-Y292 AromaticContact CE2-CE2 3.52Å; F287-Y292 HydrophobicContact CE2-CE2 3.52Å; F287-Y292 HydrophobicContact CE2-CG 4.38Å; F287-Y292 HydrophobicContact CZ-CD2 4.16Å; F287-Y292 HydrophobicContact CZ-CE2 4.45Å; M288-Y292 WeakPolarHBondContact O-CD2 3.17Å; V289-Y292 WeakPolarHBondContact O-CA 3.46Å; V289-Y292 PolarHBondContact O-N 2.9Å; L290-Y292 PolarHBondContact O-N 3.23Å; Y292-S294 PolarHBondContact O-N 2.84Å; Y292-S294 VanDerWaalsContact O-N 3.1Å; Y292-K295 HydrophobicContact CD1-CD 4.3Å; Y292-K295 WeakPolarHBondContact O-CB 3.48Å; Y292-K295 PolarHBondContact O-N 2.93Å
293M95.1Very high96.2Very high90 Ų9062.6 Ų62.644%0.44333%0.33SS..G310 helixtrans-61.9-21.5-177-66.3-52-59.800113.9L290 K295 A296L290-M293 HydrophobicContact CD2-SD 4.36Å; L290-M293 WeakPolarHBondContact O-CG 3.46Å; M293-K295 PolarHBondContact O-N 2.88Å; M293-A296 HydrophobicContact CE-CB 3.66Å; M293-A296 VanDerWaalsContact O-CB 3.29Å; M293-A296 WeakPolarHBondContact O-CB 3.39Å; M293-A296 PolarHBondContact O-N 3.38Å; M293-A296 VanDerWaalsContact O-N 3.15Å; M293-A296 HydrophobicContact SD-CB 4.29Å
294S97.3Very high96.2Very high119 Ų11961.1 Ų61.183%0.83232%0.318SS*.G310 helixtrans-64.2-19.6170.858.70000113.9Y292Y292-S294 PolarHBondContact O-N 2.84Å; Y292-S294 VanDerWaalsContact O-N 3.1Å
295K97.9Very high96.3Very high84 Ų8462.4 Ų62.437%0.36533%0.326SS..G310 helixtrans-99.3-5.3175.9-59.4-176.2177.5-176.70112.9L142 E146 Y292 M293 E297 A299L142-K295 HydrophobicContact CD1-CB 4.36Å; L142-K295 HydrophobicContact CD2-CB 4.09Å; L142-K295 HydrophobicContact CD2-CD 4.33Å; E146-K295 IonicContact OE1-NZ 3.84Å; E146-K295 PolarHBondContact OE1-NZ 2.92Å; E146-K295 IonicContact OE2-NZ 3.96Å; E146-K295 PolarHBondContact OE2-NZ 3.2Å; Y292-K295 HydrophobicContact CD1-CD 4.3Å; Y292-K295 WeakPolarHBondContact O-CB 3.48Å; Y292-K295 PolarHBondContact O-N 2.93Å; M293-K295 PolarHBondContact O-N 2.88Å; K295-E297 PolarHBondContact O-N 3.05Å; K295-A299 VanDerWaalsContact O-CB 3.31Å; K295-A299 WeakPolarHBondContact O-CB 3.37Å; K295-A299 PolarHBondContact O-N 3.03Å; K295-A299 VanDerWaalsContact O-N 3.12Å
296A96.3Very high96.6Very high7 Ų760 Ų606%0.05832%0.315CS..Hα-helixtrans-64-43.8-16800000113L138 M293 A299 L300L138-A296 HydrophobicContact CD1-CB 3.83Å; L138-A296 HydrophobicContact CD2-CB 4.33Å; M293-A296 HydrophobicContact CE-CB 3.66Å; M293-A296 VanDerWaalsContact O-CB 3.29Å; M293-A296 WeakPolarHBondContact O-CB 3.39Å; M293-A296 PolarHBondContact O-N 3.38Å; M293-A296 VanDerWaalsContact O-N 3.15Å; M293-A296 HydrophobicContact SD-CB 4.29Å; A296-A299 PolarHBondContact O-N 3.25Å; A296-L300 WeakPolarHBondContact O-CB 3.36Å; A296-L300 VanDerWaalsContact O-CG 3.28Å; A296-L300 WeakPolarHBondContact O-CG 3.46Å; A296-L300 PolarHBondContact O-N 2.73Å
297E95.9Very high96.9Very high170 Ų17055.8 Ų55.879%0.79430%0.301SS*.Hα-helixtrans-60.4-51.5-177.3-174-179.6173.400112K295 A299 L300 F301K295-E297 PolarHBondContact O-N 3.05Å; E297-A299 VanDerWaalsContact C-N 3.33Å; E297-A299 PolarHBondContact O-N 3.36Å; E297-L300 PolarHBondContact O-N 3.03Å; E297-F301 PolarHBondContact O-N 3.29Å
298A97.9Very high97Very high72 Ų7259.3 Ų59.360%0.59532%0.316SS*.Hα-helixtrans-61.5-41.2177.600000112.1F301 E302A298-F301 PolarHBondContact O-N 3.28Å; A298-E302 PolarHBondContact O-N 3.18Å
299A98.4Very high97.1Very high6 Ų660.3 Ų60.35%0.0533%0.328CS..Hα-helixtrans-66.6-39.817800000112.8L138 L141 L142 K295 A296 E297 E302 L303L138-A299 HydrophobicContact CD2-CB 3.4Å; L141-A299 HydrophobicContact CD2-CB 3.72Å; L142-A299 HydrophobicContact CD1-CB 4.47Å; L142-A299 HydrophobicContact CD2-CB 4.15Å; L142-A299 HydrophobicContact CG-CB 4.31Å; K295-A299 VanDerWaalsContact O-CB 3.31Å; K295-A299 WeakPolarHBondContact O-CB 3.37Å; K295-A299 PolarHBondContact O-N 3.03Å; K295-A299 VanDerWaalsContact O-N 3.12Å; A296-A299 PolarHBondContact O-N 3.25Å; E297-A299 VanDerWaalsContact C-N 3.33Å; E297-A299 PolarHBondContact O-N 3.36Å; A299-E302 PolarHBondContact O-N 3.4Å; A299-L303 WeakPolarHBondContact O-CB 3.44Å; A299-L303 WeakPolarHBondContact O-CD1 3.46Å; A299-L303 VanDerWaalsContact O-CG 3.29Å; A299-L303 WeakPolarHBondContact O-CG 3.42Å; A299-L303 PolarHBondContact O-N 2.79Å
300L98Very high97.2Very high43 Ų4364 Ų6423%0.22535%0.354CS..Hα-helixtrans-65.1-41.2174.7-74.8173.8000111.5M121 V133 L138 A296 E297 E302 L303 S304M121-L300 HydrophobicContact CE-CB 4.4Å; V133-L300 HydrophobicContact CG1-CD2 4.32Å; V133-L300 WeakPolarHBondContact O-CD2 3.29Å; L138-L300 HydrophobicContact CD1-CD1 4.29Å; L138-L300 HydrophobicContact CD1-CD2 4.02Å; L138-L300 HydrophobicContact CD1-CG 4.03Å; L138-L300 HydrophobicContact CD2-CD2 4.07Å; L138-L300 HydrophobicContact CD2-CG 3.9Å; L138-L300 HydrophobicContact CG-CD2 3.76Å; L138-L300 HydrophobicContact CG-CG 4.01Å; A296-L300 WeakPolarHBondContact O-CB 3.36Å; A296-L300 VanDerWaalsContact O-CG 3.28Å; A296-L300 WeakPolarHBondContact O-CG 3.46Å; A296-L300 PolarHBondContact O-N 2.73Å; E297-L300 PolarHBondContact O-N 3.03Å; L300-E302 VanDerWaalsContact C-N 3.35Å; L300-L303 PolarHBondContact O-N 3.34Å; L300-S304 WeakPolarHBondContact O-CB 3.44Å; L300-S304 PolarHBondContact O-N 3.17Å
301F98.1Very high97.4Very high127 Ų12764.9 Ų64.956%0.55736%0.356SS*.Hα-helixtrans-61.1-45.3174.9-177.5-97.8000111.2E297 A298 S304 Q305E297-F301 PolarHBondContact O-N 3.29Å; A298-F301 PolarHBondContact O-N 3.28Å; F301-S304 WeakPolarHBondContact O-CB 3.43Å; F301-S304 PolarHBondContact O-N 3.34Å; F301-Q305 HydrophobicContact CD1-CG 4.35Å; F301-Q305 HydrophobicContact CE1-CG 3.94Å; F301-Q305 HydrophobicContact CZ-CG 4.18Å; F301-Q305 WeakPolarHBondContact O-CG 3.18Å; F301-Q305 PolarHBondContact O-N 3.06Å
302E98.6Very high97.6Very high63 Ų6360.6 Ų60.629%0.29433%0.326SS..Hα-helixtrans-62.1-47.1176.1-174.8-178.9169.700112.4R145 A298 A299 L300 S304 Q305 L306R145-E302 IonicContact CZ-OE1 2.61Å; R145-E302 IonicContact CZ-OE2 3.25Å; R145-E302 IonicContact NH1-OE1 2.69Å; R145-E302 PolarHBondContact NH1-OE1 3.14Å; R145-E302 IonicContact NH1-OE2 2.66Å; R145-E302 PolarHBondContact NH1-OE2 2.86Å; R145-E302 IonicContact NH2-OE1 3.77Å; R145-E302 PolarHBondContact NH2-OE1 2.64Å; A298-E302 PolarHBondContact O-N 3.18Å; A299-E302 PolarHBondContact O-N 3.4Å; L300-E302 VanDerWaalsContact C-N 3.35Å; E302-S304 VanDerWaalsContact C-N 3.27Å; E302-S304 PolarHBondContact O-N 3.33Å; E302-Q305 PolarHBondContact O-N 2.84Å; E302-L306 HydrophobicContact CG-CD1 4.06Å; E302-L306 HydrophobicContact CG-CG 4.33Å; E302-L306 WeakPolarHBondContact O-CG 3.23Å; E302-L306 PolarHBondContact O-N 2.84Å
303L98.7Very high97.7Very high0 Ų063.6 Ų63.60%034%0.34CS..Hα-helixtrans-57.9-42.3176.8-75.9161.9000111.5L138 L141 I174 A299 L300 Q305 L306 V307 I312L138-L303 HydrophobicContact CD2-CD1 4.43Å; L141-L303 HydrophobicContact CB-CD1 4.35Å; L141-L303 HydrophobicContact CB-CD2 4.32Å; L141-L303 HydrophobicContact CB-CG 4.49Å; L141-L303 HydrophobicContact CD1-CD2 4.44Å; L141-L303 HydrophobicContact CD2-CD1 4.42Å; L141-L303 HydrophobicContact CD2-CG 4.18Å; I174-L303 HydrophobicContact CD1-CD2 4.34Å; A299-L303 WeakPolarHBondContact O-CB 3.44Å; A299-L303 WeakPolarHBondContact O-CD1 3.46Å; A299-L303 VanDerWaalsContact O-CG 3.29Å; A299-L303 WeakPolarHBondContact O-CG 3.42Å; A299-L303 PolarHBondContact O-N 2.79Å; L300-L303 PolarHBondContact O-N 3.34Å; L303-Q305 PolarHBondContact O-N 2.66Å; L303-L306 PolarHBondContact O-N 3.45Å; L303-V307 WeakPolarHBondContact O-CB 3.48Å; L303-V307 VanDerWaalsContact O-CG2 3.29Å; L303-V307 WeakPolarHBondContact O-CG2 3.39Å; L303-V307 PolarHBondContact O-N 3.33Å; L303-I312 HydrophobicContact CD2-CD1 4.13Å
304S98.5Very high97.8Very high1 Ų160.5 Ų60.51%0.00733%0.326CS..Hα-helixtrans-55-49.9172.1167.80000111.2M121 L300 F301 E302 L306 V307 K308M121-S304 WeakPolarHBondContact CA-OG 2.92Å; M121-S304 VanDerWaalsContact O-CB 3.3Å; M121-S304 WeakPolarHBondContact O-CB 3.42Å; M121-S304 PolarHBondContact O-OG 2.97Å; L300-S304 WeakPolarHBondContact O-CB 3.44Å; L300-S304 PolarHBondContact O-N 3.17Å; F301-S304 WeakPolarHBondContact O-CB 3.43Å; F301-S304 PolarHBondContact O-N 3.34Å; E302-S304 VanDerWaalsContact C-N 3.27Å; E302-S304 PolarHBondContact O-N 3.33Å; S304-L306 PolarHBondContact O-N 2.93Å; S304-V307 PolarHBondContact O-N 2.83Å; S304-K308 WeakPolarHBondContact O-CB 3.33Å; S304-K308 WeakPolarHBondContact O-CG 3.24Å; S304-K308 PolarHBondContact O-N 3.3Å
305Q98.5Very high97.8Very high85 Ų8556.6 Ų56.640%0.39730%0.295SS..Hα-helixtrans-63.4-41.2178.1-62.3-49.3-51.400112.8F301 E302 L303 K308 S309F301-Q305 HydrophobicContact CD1-CG 4.35Å; F301-Q305 HydrophobicContact CE1-CG 3.94Å; F301-Q305 HydrophobicContact CZ-CG 4.18Å; F301-Q305 WeakPolarHBondContact O-CG 3.18Å; F301-Q305 PolarHBondContact O-N 3.06Å; E302-Q305 PolarHBondContact O-N 2.84Å; L303-Q305 PolarHBondContact O-N 2.66Å; Q305-K308 PolarHBondContact O-N 2.94Å; Q305-S309 VanDerWaalsContact O-CB 3.28Å; Q305-S309 WeakPolarHBondContact O-CB 3.22Å; Q305-S309 PolarHBondContact O-N 2.88Å; Q305-S309 PolarHBondContact O-OG 3.17Å
306L98.6Very high97.9Very high17 Ų1755 Ų559%0.08929%0.289CS..Hα-helixtrans-65.3-39.4179-69.6173.9000112.2L177 E302 L303 S304 S309 S310 Q311 I312L177-L306 HydrophobicContact CD1-CD1 4.37Å; L177-L306 HydrophobicContact CD1-CD2 4.2Å; E302-L306 HydrophobicContact CG-CD1 4.06Å; E302-L306 HydrophobicContact CG-CG 4.33Å; E302-L306 WeakPolarHBondContact O-CG 3.23Å; E302-L306 PolarHBondContact O-N 2.84Å; L303-L306 PolarHBondContact O-N 3.45Å; S304-L306 PolarHBondContact O-N 2.93Å; L306-S309 PolarHBondContact O-OG 2.93Å; L306-S310 PolarHBondContact O-N 3.38Å; L306-Q311 HydrophobicContact CD2-CB 3.96Å; L306-Q311 PolarHBondContact O-N 2.9Å; L306-I312 HydrophobicContact CB-CB 4.23Å; L306-I312 HydrophobicContact CB-CD1 3.79Å; L306-I312 HydrophobicContact CB-CG1 3.94Å; L306-I312 HydrophobicContact CD1-CD1 3.69Å; L306-I312 HydrophobicContact CD1-CG1 4.42Å; L306-I312 HydrophobicContact CG-CD1 4.36Å; L306-I312 PolarHBondContact O-N 3.08Å
307V98.1Very high98Very high17 Ų1756.5 Ų56.510%0.10330%0.298CS..Hα-helixtrans-67.4-50.3175.3169.90000110.5Y128 A132 V133 L303 S304 S309 S310 I312 V314Y128-V307 HydrophobicContact CD2-CG1 3.89Å; Y128-V307 HydrophobicContact CE2-CG1 3.83Å; A132-V307 HydrophobicContact CB-CG2 4.1Å; V133-V307 HydrophobicContact CG2-CG2 4.24Å; L303-V307 WeakPolarHBondContact O-CB 3.48Å; L303-V307 VanDerWaalsContact O-CG2 3.29Å; L303-V307 WeakPolarHBondContact O-CG2 3.39Å; L303-V307 PolarHBondContact O-N 3.33Å; S304-V307 PolarHBondContact O-N 2.83Å; V307-S309 VanDerWaalsContact C-N 3.31Å; V307-S309 PolarHBondContact O-N 2.9Å; V307-S310 PolarHBondContact O-N 2.86Å; V307-I312 HydrophobicContact CG2-CB 4.31Å; V307-I312 HydrophobicContact CG2-CG2 4.02Å; V307-V314 HydrophobicContact CG1-CG2 3.9Å; V307-V314 HydrophobicContact CG2-CG2 3.75Å
308K97.2Very high98.1Very high77 Ų7751.6 Ų51.634%0.33528%0.279SS..Hα-helixtrans-62.2-37-179.2-69.8-179.155.1133.50113Q120 D123 S304 Q305 S310Q120-K308 PolarHBondContact O-NZ 3.26Å; D123-K308 WeakPolarHBondContact OD1-CE 3.4Å; D123-K308 IonicContact OD1-NZ 3.39Å; D123-K308 PolarHBondContact OD1-NZ 3.36Å; D123-K308 WeakPolarHBondContact OD2-CG 3.49Å; S304-K308 WeakPolarHBondContact O-CB 3.33Å; S304-K308 WeakPolarHBondContact O-CG 3.24Å; S304-K308 PolarHBondContact O-N 3.3Å; Q305-K308 PolarHBondContact O-N 2.94Å; K308-S310 PolarHBondContact O-N 3.1Å
309S97.1Very high98.1Very high61 Ų6150.1 Ų50.143%0.42726%0.263SS..THydrogen-bonded Turntrans-79.83.8175.1610000113.9Q305 L306 V307 Q311Q305-S309 VanDerWaalsContact O-CB 3.28Å; Q305-S309 WeakPolarHBondContact O-CB 3.22Å; Q305-S309 PolarHBondContact O-N 2.88Å; Q305-S309 PolarHBondContact O-OG 3.17Å; L306-S309 PolarHBondContact O-OG 2.93Å; V307-S309 VanDerWaalsContact C-N 3.31Å; V307-S309 PolarHBondContact O-N 2.9Å; S309-Q311 PolarHBondContact O-N 2.85Å; S309-Q311 VanDerWaalsContact O-N 3.11Å; S309-Q311 PolarHBondContact OG-NE2 2.86Å
310S96.4Very high98.1Very high90 Ų9054.7 Ų54.763%0.62929%0.286SS*.THydrogen-bonded Turntrans58.517.4-177.5-57.50000114.8L306 V307 K308 I312L306-S310 PolarHBondContact O-N 3.38Å; V307-S310 PolarHBondContact O-N 2.86Å; K308-S310 PolarHBondContact O-N 3.1Å; S310-I312 VanDerWaalsContact C-N 3.3Å
311Q97.9Very high98.2Very high99 Ų9953.3 Ų53.346%0.46328%0.283SS..SBendtrans-72.6-29.4171.6-71.2-177.886.700111.5L177 L306 S309L177-Q311 HydrophobicContact CD2-CB 4.45Å; L306-Q311 HydrophobicContact CD2-CB 3.96Å; L306-Q311 PolarHBondContact O-N 2.9Å; S309-Q311 PolarHBondContact O-N 2.85Å; S309-Q311 VanDerWaalsContact O-N 3.11Å; S309-Q311 PolarHBondContact OG-NE2 2.86Å
312I98.3Very high98.2Very high2 Ų247.5 Ų47.51%0.0126%0.257CS..SBendtrans-113.6127.3166.3-72.7179.2000108.4L170 Q173 I174 L177 L303 L306 V307 S310L170-I312 HydrophobicContact CD2-CG2 3.47Å; L170-I312 VanDerWaalsContact CD2-CG2 3.47Å; Q173-I312 HydrophobicContact CB-CG1 4.42Å; I174-I312 HydrophobicContact CD1-CD1 4.32Å; I174-I312 HydrophobicContact CG1-CD1 3.89Å; L177-I312 HydrophobicContact CD1-CD1 4.36Å; L177-I312 HydrophobicContact CD1-CG1 3.94Å; L303-I312 HydrophobicContact CD2-CD1 4.13Å; L306-I312 HydrophobicContact CB-CB 4.23Å; L306-I312 HydrophobicContact CB-CD1 3.79Å; L306-I312 HydrophobicContact CB-CG1 3.94Å; L306-I312 HydrophobicContact CD1-CD1 3.69Å; L306-I312 HydrophobicContact CD1-CG1 4.42Å; L306-I312 HydrophobicContact CG-CD1 4.36Å; L306-I312 PolarHBondContact O-N 3.08Å; V307-I312 HydrophobicContact CG2-CB 4.31Å; V307-I312 HydrophobicContact CG2-CG2 4.02Å; S310-I312 VanDerWaalsContact C-N 3.3Å
313K98.3Very high98.2Very high105 Ų10549.6 Ų49.646%0.45727%0.267SS..  trans-95137.3168.8-70.3171.8179.5-176.50109.9Q173 D199 L200Q173-K313 PolarHBondContact NE2-O 3.32Å; D199-K313 WeakPolarHBondContact O-CD 3.26Å; D199-K313 WeakPolarHBondContact O-CE 3.41Å; D199-K313 PolarHBondContact O-NZ 2.73Å; L200-K313 HydrophobicContact CD2-CB 3.76Å
314V98.2Very high98.2Very high25 Ų2552.2 Ų52.215%0.15228%0.281CS..  trans-104.2128.1-179.6-173.90000109Y128 A132 V307 E316Y128-V314 HydrophobicContact CD1-CG1 3.87Å; Y128-V314 HydrophobicContact CD2-CG2 4.22Å; Y128-V314 HydrophobicContact CE1-CB 3.98Å; Y128-V314 HydrophobicContact CE1-CG1 3.6Å; Y128-V314 HydrophobicContact CE2-CB 4.07Å; Y128-V314 HydrophobicContact CE2-CG1 4.41Å; Y128-V314 HydrophobicContact CE2-CG2 3.91Å; Y128-V314 HydrophobicContact CG-CG1 4.39Å; A132-V314 HydrophobicContact CB-CB 4.31Å; A132-V314 HydrophobicContact CB-CG1 3.89Å; A132-V314 HydrophobicContact CB-CG2 3.44Å; A132-V314 VanDerWaalsContact CB-CG2 3.44Å; V307-V314 HydrophobicContact CG1-CG2 3.9Å; V307-V314 HydrophobicContact CG2-CG2 3.75Å; V314-E316 HydrophobicContact CG1-CG 4.09Å
315L98Very high98.1Very high38 Ų3852.2 Ų52.220%0.19928%0.281CS..  trans-108.7133.3171.1-60.1179.1000108.8A195 L200 I338 G339 K340A195-L315 HydrophobicContact CB-CD1 4.33Å; L200-L315 HydrophobicContact CD1-CD1 3.85Å; L200-L315 HydrophobicContact CD2-CD1 4Å; L200-L315 HydrophobicContact CD2-CG 4.05Å; L200-L315 HydrophobicContact CG-CD1 4Å; L315-I338 HydrophobicContact CD1-CG2 3.92Å; L315-G339 CarbonylContact O-C 3.51Å; L315-G339 WeakPolarHBondContact O-CA 3.4Å; L315-K340 PolarHBondContact O-N 2.96Å
316E98.5Very high98.1Very high50 Ų5048.4 Ų48.423%0.23427%0.265CS..EExtended strand (participates in β ladder)trans-132.2139.6174-57-169.3124.800109.9S127 Y128 V314 V318 I338 K340S127-E316 WeakPolarHBondContact CB-OE1 3.38Å; S127-E316 WeakPolarHBondContact CB-OE2 3.39Å; S127-E316 PolarHBondContact OG-OE1 3.36Å; S127-E316 PolarHBondContact OG-OE2 3.33Å; Y128-E316 HydrophobicContact CE1-CG 4.25Å; Y128-E316 WeakPolarHBondContact CE1-OE2 3.45Å; V314-E316 HydrophobicContact CG1-CG 4.09Å; E316-V318 HydrophobicContact CB-CG2 4.04Å; E316-I338 CarbonylContact C-O 3.59Å; E316-K340 CarbonylContact C-O 3.47Å; E316-K340 VanDerWaalsContact CA-O 3.31Å; E316-K340 WeakPolarHBondContact CA-O 3.5Å; E316-K340 HydrophobicContact CG-CB 4.32Å
317T98.6Very high98.1Very high38 Ų3851.3 Ų51.323%0.23328%0.283CS..EExtended strand (participates in β ladder)trans-100.2106.2163.1-61.10000107.1N337 I338 K340 Q341 I342T317-N337 HydrophobicContact CG2-CB 4.26Å; T317-N337 WeakPolarHBondContact OG1-CA 3.35Å; T317-I338 PolarHBondContact N-O 2.88Å; T317-I338 PolarHBondContact OG1-N 2.81Å; T317-I338 PolarHBondContact OG1-O 2.85Å; T317-K340 PolarHBondContact N-O 2.87Å; T317-Q341 PolarHBondContact O-NE2 3.16Å; T317-Q341 VanDerWaalsContact O-NE2 3.17Å; T317-I342 PolarHBondContact O-N 3.48Å
318V98.6Very high98.1Very high68 Ų6850.6 Ų50.641%0.41228%0.279SS..EExtended strand (participates in β ladder)trans-100.1125-177.2-174.70000109.9E316 I342 K344E316-V318 HydrophobicContact CB-CG2 4.04Å; V318-I342 WeakPolarHBondContact CA-O 3.44Å; V318-I342 HydrophobicContact CG2-CB 4.34Å; V318-K344 HydrophobicContact CG1-CB 3.89Å
319V98.4Very high98.2Very high40 Ų4046.9 Ų46.924%0.24226%0.263CS..EExtended strand (participates in β ladder)trans-110.6137.4171.61760000108.2N324 A328 I342 V343 K344V319-N324 HydrophobicContact CG1-CB 3.44Å; V319-N324 VanDerWaalsContact CG1-CB 3.44Å; V319-A328 HydrophobicContact CB-CB 4.5Å; V319-A328 HydrophobicContact CG2-CB 4.37Å; V319-I342 PolarHBondContact N-O 2.94Å; V319-V343 HydrophobicContact CB-CG2 4.49Å; V319-V343 CarbonylContact O-C 2.95Å; V319-V343 WeakPolarHBondContact O-CA 3.38Å; V319-K344 PolarHBondContact O-N 3.17Å
320N98.6Very high98.2Very high102 Ų10244.5 Ų44.555%0.54525%0.246SC..EExtended strand (participates in β ladder)trans-94.8144.8179.7-61.4-66.4000110.7N324N320-N324 PolarHBondContact O-ND2 2.95Å
321G98.4Very high98.3Very high15 Ų1542.4 Ų42.416%0.15523%0.231CC..SBendtrans91.5132.4171.600000113.7E323 N324 V343 K344G321-E323 VanDerWaalsContact C-OE2 3.27Å; G321-E323 WeakPolarHBondContact CA-OE2 3.45Å; G321-E323 PolarHBondContact O-N 2.67Å; G321-N324 WeakPolarHBondContact O-CB 3.46Å; G321-N324 PolarHBondContact O-N 2.93Å; G321-N324 VanDerWaalsContact O-N 3.11Å; G321-V343 VanDerWaalsContact O-CG1 3.29Å; G321-V343 WeakPolarHBondContact O-CG1 3.43Å; G321-K344 PolarHBondContact N-O 3.11Å
322I98.5Very high98.3Very high4 Ų438.2 Ų38.22%0.02121%0.212CC..G310 helixtrans-64.7-28.1-179.1-169.8166.8000112.7Q4 V6 L25 Q104 T105 N324 M325 I345Q4-I322 HydrophobicContact CB-CD1 4.46Å; Q4-I322 HydrophobicContact CB-CG2 3.84Å; Q4-I322 WeakPolarHBondContact O-CD1 3.16Å; V6-I322 HydrophobicContact CG2-CD1 4.37Å; V6-I322 HydrophobicContact CG2-CG1 3.75Å; V6-I322 WeakPolarHBondContact CG2-O 3.24Å; L25-I322 HydrophobicContact CD1-CG2 3.98Å; Q104-I322 VanDerWaalsContact CA-CD1 3.48Å; T105-I322 HydrophobicContact CG2-CB 4.47Å; T105-I322 HydrophobicContact CG2-CD1 4.08Å; T105-I322 HydrophobicContact CG2-CG2 4.09Å; I322-N324 PolarHBondContact O-N 2.76Å; I322-N324 VanDerWaalsContact O-N 3.12Å; I322-M325 HydrophobicContact CG1-CG 4.24Å; I322-M325 WeakPolarHBondContact O-CG 3.44Å; I322-M325 PolarHBondContact O-N 3.33Å; I322-I345 HydrophobicContact CB-CD1 3.82Å; I322-I345 HydrophobicContact CG1-CD1 4.22Å
323E98.3Very high98.1Very high108 Ų10839.5 Ų39.551%0.50522%0.218SC..G310 helixtrans-59.1-21.7174.166-82-169.700112.8L25 G321L25-E323 HydrophobicContact CD2-CB 3.87Å; G321-E323 VanDerWaalsContact C-OE2 3.27Å; G321-E323 WeakPolarHBondContact CA-OE2 3.45Å; G321-E323 PolarHBondContact O-N 2.67Å
324N98.4Very high98Very high54 Ų5440.2 Ų40.229%0.28922%0.221SC..G310 helixtrans-93.42.7-177.6-66.8-53.5000114.2V319 N320 G321 I322 G326 V327 A328V319-N324 HydrophobicContact CG1-CB 3.44Å; V319-N324 VanDerWaalsContact CG1-CB 3.44Å; N320-N324 PolarHBondContact O-ND2 2.95Å; G321-N324 WeakPolarHBondContact O-CB 3.46Å; G321-N324 PolarHBondContact O-N 2.93Å; G321-N324 VanDerWaalsContact O-N 3.11Å; I322-N324 PolarHBondContact O-N 2.76Å; I322-N324 VanDerWaalsContact O-N 3.12Å; N324-G326 PolarHBondContact O-N 3.13Å; N324-V327 PolarHBondContact O-N 3.03Å; N324-A328 WeakPolarHBondContact O-CB 3.22Å; N324-A328 PolarHBondContact O-N 3.26Å
325M98.3Very high97.8Very high1 Ų140.4 Ų40.41%0.00523%0.228CC..Hα-helixtrans-54.6-48-179.3-72-61.8-52.700112.9V6 L46 V48 W103 I322 V327 A328 F329 V343V6-M325 HydrophobicContact CG1-CB 4.38Å; V6-M325 HydrophobicContact CG2-CB 4.06Å; V6-M325 HydrophobicContact CG2-CG 4Å; L46-M325 HydrophobicContact CB-CE 4.05Å; L46-M325 HydrophobicContact CB-SD 3.95Å; L46-M325 HydrophobicContact CD1-CE 4.17Å; L46-M325 HydrophobicContact CD1-CG 4.48Å; L46-M325 HydrophobicContact CD1-SD 3.69Å; L46-M325 HydrophobicContact CG-SD 4.47Å; V48-M325 HydrophobicContact CG2-CE 3.88Å; W103-M325 HydrophobicContact CD2-CE 3.4Å; W103-M325 HydrophobicContact CE3-CB 3.92Å; W103-M325 HydrophobicContact CE3-CE 3.7Å; W103-M325 HydrophobicContact CE3-CG 4.24Å; W103-M325 HydrophobicContact CG-CE 3.93Å; W103-M325 HydrophobicContact CH2-CE 3.69Å; W103-M325 HydrophobicContact CZ2-CE 3.37Å; W103-M325 HydrophobicContact CZ3-CB 3.93Å; W103-M325 HydrophobicContact CZ3-CE 3.84Å; I322-M325 HydrophobicContact CG1-CG 4.24Å; I322-M325 WeakPolarHBondContact O-CG 3.44Å; I322-M325 PolarHBondContact O-N 3.33Å; M325-V327 PolarHBondContact O-N 3.05Å; M325-A328 PolarHBondContact O-N 2.79Å; M325-F329 WeakPolarHBondContact O-CB 3.19Å; M325-F329 PolarHBondContact O-N 3.01Å; M325-V343 HydrophobicContact CE-CG2 4.25Å; M325-V343 HydrophobicContact SD-CB 3.41Å; M325-V343 WeakPolarHBondContact SD-CB 3.07Å; M325-V343 HydrophobicContact SD-CG1 3.64Å; M325-V343 HydrophobicContact SD-CG2 3.43Å; M325-V343 WeakPolarHBondContact SD-CG2 3.28Å
326G98Very high97.7Very high6 Ų640.8 Ų40.86%0.06224%0.241CC..Hα-helixtrans-65.4-38.5179.700000113N324 C330N324-G326 PolarHBondContact O-N 3.13Å; G326-C330 PolarHBondContact O-N 2.77Å; G326-C330 PolarHBondContact O-SG 3.01Å
327V98.1Very high97.7Very high78 Ų7839.1 Ų39.147%0.47323%0.234SC..Hα-helixtrans-66.8-45.8176.2176.20000110.8P20 N324 M325 F329 C330 S331P20-V327 HydrophobicContact CB-CG2 4.3Å; P20-V327 HydrophobicContact CG-CG2 4.29Å; N324-V327 PolarHBondContact O-N 3.03Å; M325-V327 PolarHBondContact O-N 3.05Å; V327-F329 VanDerWaalsContact C-N 3.34Å; V327-F329 PolarHBondContact O-N 2.72Å; V327-C330 PolarHBondContact O-N 3.08Å; V327-S331 VanDerWaalsContact O-CB 3.29Å; V327-S331 WeakPolarHBondContact O-CB 3.48Å; V327-S331 PolarHBondContact O-N 2.77Å
328A98.5Very high97.7Very high1 Ų139.8 Ų39.81%0.00824%0.236CC..Hα-helixtrans-60.6-4317700000111.5V48 V319 N324 M325 S331 M332 Q341 V343V48-A328 HydrophobicContact CG2-CB 4.32Å; V319-A328 HydrophobicContact CB-CB 4.5Å; V319-A328 HydrophobicContact CG2-CB 4.37Å; N324-A328 WeakPolarHBondContact O-CB 3.22Å; N324-A328 PolarHBondContact O-N 3.26Å; M325-A328 PolarHBondContact O-N 2.79Å; A328-S331 PolarHBondContact O-N 2.84Å; A328-M332 WeakPolarHBondContact O-CB 3.18Å; A328-M332 PolarHBondContact O-N 3.36Å; A328-Q341 HydrophobicContact CB-CG 4.24Å; A328-V343 HydrophobicContact CB-CG2 3.74Å
329F98.4Very high97.6Very high0 Ų036.5 Ų36.50%022%0.216CC..Hα-helixtrans-60.7-50.1175.3-179.3-104.4000112.7P18 F23 V48 M52 R53 M56 M325 V327 S331 M332 M333P18-F329 HydrophobicContact CB-CD1 4.11Å; P18-F329 HydrophobicContact CB-CE1 3.57Å; P18-F329 HydrophobicContact CG-CD1 4.26Å; P18-F329 HydrophobicContact CG-CE1 3.64Å; P18-F329 HydrophobicContact CG-CZ 4.45Å; F23-F329 AromaticContact CE2-CD1 3.66Å; F23-F329 HydrophobicContact CE2-CD1 3.66Å; F23-F329 HydrophobicContact CE2-CE1 4.28Å; F23-F329 HydrophobicContact CE2-CG 4.37Å; F23-F329 AromaticContact CZ-CD1 3.65Å; F23-F329 HydrophobicContact CZ-CD1 3.65Å; F23-F329 HydrophobicContact CZ-CE1 4.05Å; F23-F329 HydrophobicContact CZ-CG 4.18Å; V48-F329 VanDerWaalsContact CG1-CA 3.45Å; V48-F329 HydrophobicContact CG1-CB 3.89Å; V48-F329 HydrophobicContact CG1-CD2 3.83Å; V48-F329 HydrophobicContact CG1-CG 4.36Å; M52-F329 HydrophobicContact CB-CE2 3.81Å; M52-F329 HydrophobicContact CB-CZ 4.45Å; R53-F329 HydrophobicContact CB-CZ 3.98Å; M56-F329 HydrophobicContact SD-CD1 4.46Å; M56-F329 HydrophobicContact SD-CE1 3.5Å; M56-F329 VanDerWaalsContact SD-CE1 3.5Å; M56-F329 HydrophobicContact SD-CZ 3.97Å; M325-F329 WeakPolarHBondContact O-CB 3.19Å; M325-F329 PolarHBondContact O-N 3.01Å; V327-F329 VanDerWaalsContact C-N 3.34Å; V327-F329 PolarHBondContact O-N 2.72Å; F329-S331 PolarHBondContact O-N 3.31Å; F329-M332 HydrophobicContact CD2-CE 3.96Å; F329-M332 HydrophobicContact CE2-CE 4.04Å; F329-M332 PolarHBondContact O-N 2.65Å; F329-M333 HydrophobicContact CE1-CG 4.15Å; F329-M333 HydrophobicContact CE2-CG 4.14Å; F329-M333 HydrophobicContact CE2-SD 4.4Å; F329-M333 HydrophobicContact CZ-CG 3.92Å; F329-M333 HydrophobicContact CZ-SD 4.34Å; F329-M333 WeakPolarHBondContact O-CG 3.45Å; F329-M333 PolarHBondContact O-N 2.79Å
330C97.9Very high97.6Very high10 Ų1035 Ų357%0.06821%0.206CC..Hα-helixtrans-65.5-39.3179.6-63.80000112.3P18 S19 P20 G326 V327 M333 K334P18-C330 PolarHBondContact O-SG 3.1Å; S19-C330 VanDerWaalsContact CA-SG 3.57Å; P20-C330 HydrophobicContact CG-CB 4.47Å; P20-C330 VanDerWaalsContact N-SG 3.43Å; G326-C330 PolarHBondContact O-N 2.77Å; G326-C330 PolarHBondContact O-SG 3.01Å; V327-C330 PolarHBondContact O-N 3.08Å; C330-M333 PolarHBondContact O-N 2.84Å; C330-K334 WeakPolarHBondContact O-CG 3.31Å; C330-K334 PolarHBondContact O-N 2.98Å; C330-K334 VanDerWaalsContact O-N 3.13Å
331S97.6Very high97.6Very high47 Ų4730.3 Ų30.333%0.32918%0.181SC..Hα-helixtrans-59.8-48.6174.9-177.30000110.9V327 A328 F329 M333 K334 G335 G336V327-S331 VanDerWaalsContact O-CB 3.29Å; V327-S331 WeakPolarHBondContact O-CB 3.48Å; V327-S331 PolarHBondContact O-N 2.77Å; A328-S331 PolarHBondContact O-N 2.84Å; F329-S331 PolarHBondContact O-N 3.31Å; S331-M333 PolarHBondContact O-N 3.33Å; S331-K334 CarbonylContact O-C 3.51Å; S331-K334 PolarHBondContact O-N 2.8Å; S331-K334 VanDerWaalsContact O-N 3.12Å; S331-G335 PolarHBondContact O-N 3.33Å; S331-G335 VanDerWaalsContact O-N 3.13Å; S331-G336 PolarHBondContact O-N 3.44Å
332M97.6Very high97.7Very high10 Ų1029.6 Ų29.65%0.04917%0.173CC..Hα-helixtrans-60.2-44.9178177.4-80.3-68.300112.1V48 P50 A328 F329 K334 G335 N337 Q341V48-M332 HydrophobicContact CG1-CB 4.37Å; V48-M332 HydrophobicContact CG1-CE 3.84Å; P50-M332 HydrophobicContact CB-SD 4.46Å; P50-M332 HydrophobicContact CG-CE 4.27Å; P50-M332 HydrophobicContact CG-SD 3.73Å; A328-M332 WeakPolarHBondContact O-CB 3.18Å; A328-M332 PolarHBondContact O-N 3.36Å; F329-M332 HydrophobicContact CD2-CE 3.96Å; F329-M332 HydrophobicContact CE2-CE 4.04Å; F329-M332 PolarHBondContact O-N 2.65Å; M332-K334 PolarHBondContact O-N 3.36Å; M332-G335 WeakPolarHBondContact O-CA 3.12Å; M332-G335 PolarHBondContact O-N 3.09Å; M332-N337 WeakPolarHBondContact CA-OD1 3.36Å; M332-Q341 HydrophobicContact CB-CB 4.16Å; M332-Q341 HydrophobicContact CB-CG 4.14Å; M332-Q341 HydrophobicContact CG-CB 4.09Å
333M96.1Very high97.7Very high29 Ų2929.4 Ų29.414%0.14317%0.172CC..Hα-helixtrans-61.8-28.3177.1-71.3-58.4-58.500113.1P18 R53 I256 F329 C330 S331 G335P18-M333 HydrophobicContact CG-CB 4.27Å; P18-M333 HydrophobicContact CG-CG 4.06Å; R53-M333 HydrophobicContact CB-CE 3.94Å; R53-M333 HydrophobicContact CB-SD 4.15Å; R53-M333 HydrophobicContact CG-CE 3.99Å; I256-M333 HydrophobicContact CD1-CE 4.4Å; I256-M333 HydrophobicContact CD1-SD 4.26Å; I256-M333 HydrophobicContact CG1-CE 4.15Å; F329-M333 HydrophobicContact CE1-CG 4.15Å; F329-M333 HydrophobicContact CE2-CG 4.14Å; F329-M333 HydrophobicContact CE2-SD 4.4Å; F329-M333 HydrophobicContact CZ-CG 3.92Å; F329-M333 HydrophobicContact CZ-SD 4.34Å; F329-M333 WeakPolarHBondContact O-CG 3.45Å; F329-M333 PolarHBondContact O-N 2.79Å; C330-M333 PolarHBondContact O-N 2.84Å; S331-M333 PolarHBondContact O-N 3.33Å; M333-G335 VanDerWaalsContact C-N 3.31Å
334K95Very high97.7Very high121 Ų12126.7 Ų26.753%0.52616%0.159SC..THydrogen-bonded Turntrans-87.90.6174.2-68180179.8-176.20113.5E17 R209 C330 S331 M332E17-K334 WeakPolarHBondContact OE2-CE 3.24Å; E17-K334 IonicContact OE2-NZ 3.59Å; R209-K334 PolarHBondContact NH2-O 3.16Å; C330-K334 WeakPolarHBondContact O-CG 3.31Å; C330-K334 PolarHBondContact O-N 2.98Å; C330-K334 VanDerWaalsContact O-N 3.13Å; S331-K334 CarbonylContact O-C 3.51Å; S331-K334 PolarHBondContact O-N 2.8Å; S331-K334 VanDerWaalsContact O-N 3.12Å; M332-K334 PolarHBondContact O-N 3.36Å
335G95Very high97.7Very high28 Ų2825.5 Ų25.529%0.28915%0.152SC..THydrogen-bonded Turntrans74.335.5-178.500000113.3K192 S331 M332 M333K192-G335 VanDerWaalsContact CE-O 3.29Å; K192-G335 WeakPolarHBondContact CE-O 3.49Å; K192-G335 VanDerWaalsContact NZ-C 3.33Å; K192-G335 PolarHBondContact NZ-O 3.21Å; S331-G335 PolarHBondContact O-N 3.33Å; S331-G335 VanDerWaalsContact O-N 3.13Å; M332-G335 WeakPolarHBondContact O-CA 3.12Å; M332-G335 PolarHBondContact O-N 3.09Å; M333-G335 VanDerWaalsContact C-N 3.31Å
336G95.7Very high97.7Very high47 Ų4727 Ų2749%0.48516%0.163SC..  trans-79-18.7176.300000114.8S331S331-G336 PolarHBondContact O-N 3.44Å
337N97.6Very high97.3Very high15 Ų1533.9 Ų33.98%0.0820%0.198CC..  trans-88.3143.8-178.764.2-57.2000113K192 T317 M332 G339 Q341K192-N337 WeakPolarHBondContact CE-O 3.23Å; K192-N337 PolarHBondContact NZ-O 2.87Å; T317-N337 HydrophobicContact CG2-CB 4.26Å; T317-N337 WeakPolarHBondContact OG1-CA 3.35Å; M332-N337 WeakPolarHBondContact CA-OD1 3.36Å; N337-G339 PolarHBondContact ND2-O 3.13Å; N337-Q341 HydrophobicContact CB-CB 4.23Å
338I98.1Very high97.3Very high51 Ų5131.7 Ų31.726%0.26218%0.184SC..SBendtrans-106.6121.9162.9-52.4-173.4000107.5E191 K192 A195 L315 E316 T317E191-I338 HydrophobicContact CB-CD1 4.34Å; K192-I338 HydrophobicContact CG-CD1 4.17Å; K192-I338 HydrophobicContact CG-CG1 3.87Å; A195-I338 HydrophobicContact CB-CG2 4.1Å; L315-I338 HydrophobicContact CD1-CG2 3.92Å; E316-I338 CarbonylContact C-O 3.59Å; T317-I338 PolarHBondContact N-O 2.88Å; T317-I338 PolarHBondContact OG1-N 2.81Å; T317-I338 PolarHBondContact OG1-O 2.85Å
339G97.9Very high97.2Very high0 Ų033.3 Ų33.30%019%0.194CC..BIsolated β-bridgetrans75.7-152.2-172.600000113.4A164 L315 N337A164-G339 WeakPolarHBondContact O-CA 3.49Å; A164-G339 PolarHBondContact O-N 3.39Å; L315-G339 CarbonylContact O-C 3.51Å; L315-G339 WeakPolarHBondContact O-CA 3.4Å; N337-G339 PolarHBondContact ND2-O 3.13Å
340K98.4Very high97.1Very high7 Ų735.1 Ų35.13%0.0320%0.204CC..EExtended strand (participates in β ladder)trans-73.8129.3-179.3179.468-173.8-153.40111.4S47 D49 L130 A166 L315 E316 T317 I342S47-K340 WeakPolarHBondContact OG-CE 3.33Å; S47-K340 PolarHBondContact OG-NZ 2.71Å; D49-K340 IonicContact OD1-NZ 2.66Å; D49-K340 PolarHBondContact OD1-NZ 3.12Å; D49-K340 IonicContact OD2-NZ 2.8Å; D49-K340 PolarHBondContact OD2-NZ 3.02Å; L130-K340 WeakPolarHBondContact O-CE 3.33Å; L130-K340 PolarHBondContact O-NZ 3.23Å; A166-K340 HydrophobicContact CB-CB 3.98Å; A166-K340 HydrophobicContact CB-CD 3.63Å; A166-K340 HydrophobicContact CB-CG 4.41Å; L315-K340 PolarHBondContact O-N 2.96Å; E316-K340 CarbonylContact C-O 3.47Å; E316-K340 VanDerWaalsContact CA-O 3.31Å; E316-K340 WeakPolarHBondContact CA-O 3.5Å; E316-K340 HydrophobicContact CG-CB 4.32Å; T317-K340 PolarHBondContact N-O 2.87Å; K340-I342 HydrophobicContact CD-CD1 4.46Å; K340-I342 HydrophobicContact CG-CD1 3.55Å; K340-I342 HydrophobicContact CG-CG1 3.85Å; K340-I342 PolarHBondContact O-N 3.46Å
341Q98.8Very high97.1Very high4 Ų436.6 Ų36.62%0.01921%0.212CC..EExtended strand (participates in β ladder)trans-79.2118.8171-177.267.358.800109.4V48 T317 A328 M332 N337V48-Q341 HydrophobicContact CB-CB 4.01Å; V48-Q341 HydrophobicContact CB-CG 3.62Å; V48-Q341 HydrophobicContact CG1-CB 4.48Å; V48-Q341 HydrophobicContact CG1-CG 3.95Å; V48-Q341 HydrophobicContact CG2-CG 4.06Å; V48-Q341 PolarHBondContact N-O 2.87Å; T317-Q341 PolarHBondContact O-NE2 3.16Å; T317-Q341 VanDerWaalsContact O-NE2 3.17Å; A328-Q341 HydrophobicContact CB-CG 4.24Å; M332-Q341 HydrophobicContact CB-CB 4.16Å; M332-Q341 HydrophobicContact CB-CG 4.14Å; M332-Q341 HydrophobicContact CG-CB 4.09Å; N337-Q341 HydrophobicContact CB-CB 4.23Å
342I98.8Very high97.1Very high0 Ų035.9 Ų35.90%021%0.205CC..EExtended strand (participates in β ladder)trans-122.8144.3179.2-61.9-62.9000108.9Y45 L130 T317 V318 V319 K340Y45-I342 HydrophobicContact CD1-CG2 3.69Å; Y45-I342 HydrophobicContact CG-CG2 4.27Å; L130-I342 HydrophobicContact CB-CD1 3.89Å; L130-I342 HydrophobicContact CD1-CD1 4.17Å; T317-I342 PolarHBondContact O-N 3.48Å; V318-I342 WeakPolarHBondContact CA-O 3.44Å; V318-I342 HydrophobicContact CG2-CB 4.34Å; V319-I342 PolarHBondContact N-O 2.94Å; K340-I342 HydrophobicContact CD-CD1 4.46Å; K340-I342 HydrophobicContact CG-CD1 3.55Å; K340-I342 HydrophobicContact CG-CG1 3.85Å; K340-I342 PolarHBondContact O-N 3.46Å
343V98.8Very high97Very high0 Ų037.7 Ų37.70%022%0.215CC..EExtended strand (participates in β ladder)trans-113.9117.8165.2-173.80000109Y45 L46 V48 V319 G321 M325 A328 I345Y45-V343 CarbonylContact C-O 3.19Å; Y45-V343 WeakPolarHBondContact CA-O 3.44Å; L46-V343 PolarHBondContact N-O 2.83Å; L46-V343 PolarHBondContact O-N 2.94Å; V48-V343 HydrophobicContact CG2-CG2 3.86Å; V319-V343 HydrophobicContact CB-CG2 4.49Å; V319-V343 CarbonylContact O-C 2.95Å; V319-V343 WeakPolarHBondContact O-CA 3.38Å; G321-V343 VanDerWaalsContact O-CG1 3.29Å; G321-V343 WeakPolarHBondContact O-CG1 3.43Å; M325-V343 HydrophobicContact CE-CG2 4.25Å; M325-V343 HydrophobicContact SD-CB 3.41Å; M325-V343 WeakPolarHBondContact SD-CB 3.07Å; M325-V343 HydrophobicContact SD-CG1 3.64Å; M325-V343 HydrophobicContact SD-CG2 3.43Å; M325-V343 WeakPolarHBondContact SD-CG2 3.28Å; A328-V343 HydrophobicContact CB-CG2 3.74Å; V343-I345 HydrophobicContact CB-CD1 4.42Å; V343-I345 HydrophobicContact CG1-CD1 3.73Å
344K98.8Very high97.1Very high52 Ų5238.3 Ų38.323%0.22622%0.221CC..EExtended strand (participates in β ladder)trans-83.7126.4174.9-177.6178.3-177.9-174.60109.4Y45 V318 V319 G321 D347Y45-K344 HydrophobicContact CD1-CB 3.81Å; Y45-K344 HydrophobicContact CD1-CG 3.93Å; Y45-K344 HydrophobicContact CE1-CB 3.79Å; Y45-K344 HydrophobicContact CE1-CD 3.85Å; Y45-K344 HydrophobicContact CE1-CG 3.55Å; V318-K344 HydrophobicContact CG1-CB 3.89Å; V319-K344 PolarHBondContact O-N 3.17Å; G321-K344 PolarHBondContact N-O 3.11Å; K344-D347 WeakPolarHBondContact CE-OD1 3.47Å; K344-D347 IonicContact NZ-OD1 2.63Å; K344-D347 PolarHBondContact NZ-OD1 3.38Å
345I98.7Very high97.3Very high29 Ų2931.9 Ų31.915%0.14920%0.197CC..  trans-107.4-43.3-173.8-52.4-59.8000110.8T43 L44 L46 T105 I322 V343T43-I345 HydrophobicContact CG2-CB 4.14Å; T43-I345 HydrophobicContact CG2-CG1 3.84Å; T43-I345 HydrophobicContact CG2-CG2 4.39Å; L44-I345 PolarHBondContact O-N 2.7Å; L46-I345 HydrophobicContact CD1-CD1 3.83Å; L46-I345 HydrophobicContact CD1-CG1 3.95Å; L46-I345 HydrophobicContact CG-CD1 4.29Å; L46-I345 HydrophobicContact CG-CG1 3.95Å; T105-I345 HydrophobicContact CG2-CG2 3.91Å; I322-I345 HydrophobicContact CB-CD1 3.82Å; I322-I345 HydrophobicContact CG1-CD1 4.22Å; V343-I345 HydrophobicContact CB-CD1 4.42Å; V343-I345 HydrophobicContact CG1-CD1 3.73Å
346S97.7Very high97.4Very high31 Ų3132.3 Ų32.322%0.21719%0.19CC..  trans-152.9172175.466.30000111.9R42 T43 L44R42-S346 PolarHBondContact NH1-OG 3.06Å; T43-S346 PolarHBondContact O-OG 3.12Å; L44-S346 PolarHBondContact O-N 3.37Å
347D90.1Very high97.6Very high151 Ų15130.9 Ų30.981%0.80716%0.163SC*.  trans-900176.1-71-52.2000112.7R42 L44 K344R42-D347 PolarHBondContact NH1-O 3.37Å; R42-D347 PolarHBondContact NH2-O 2.74Å; L44-D347 WeakPolarHBondContact CD2-OXT 2.99Å; K344-D347 WeakPolarHBondContact CE-OD1 3.47Å; K344-D347 IonicContact NZ-OD1 2.63Å; K344-D347 PolarHBondContact NZ-OD1 3.38Å

Retrieved 347 of 347 residues in 90.5 ms (Link to these results)

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