A0A077ZLD2_TRITR Loading...

pyridoxal 5'-phosphate synthase

Catalyzes the oxidation of either pyridoxine 5'-phosphate (PNP) or pyridoxamine 5'-phosphate (PMP) into pyridoxal 5'-phosphate (PLP).

AlphaFold DB , UniProt , Accession A0A077ZLD2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 221 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	M	45.5	Very low	80.6	Confident	207 Å²	207	87.1 Å²	87.1	100%	1.02	46%	0.46	S	S	*	.				0	130.8	0	-67.8	-168.9	-77	0	0	107.4	T3	M1-T3 PolarHBondContact O-N 3.12Å; M1-T3 VanDerWaalsContact O-N 3.13Å
2	A	50.2	Low	81.8	Confident	80 Å²	80	86.3 Å²	86.3	66%	0.661	46%	0.455	S	S	*	.			trans	-73.4	103.9	-175.9	0	0	0	0	0	109.8	G4 Y181	A2-G4 PolarHBondContact O-N 3.01Å; A2-Y181 WeakPolarHBondContact CB-OH 3.37Å; A2-Y181 PolarHBondContact O-OH 3.33Å
3	T	56.8	Low	82.7	Confident	124 Å²	124	83.5 Å²	83.5	76%	0.761	46%	0.459	S	S	*	.			trans	-80.1	14.1	-177.5	52.6	0	0	0	0	113.7	M1	M1-T3 PolarHBondContact O-N 3.12Å; M1-T3 VanDerWaalsContact O-N 3.13Å
4	G	78.8	Confident	83.6	Confident	35 Å²	35	81.8 Å²	81.8	36%	0.361	44%	0.442	S	S	.	.			trans	-67.3	157.2	178.3	0	0	0	0	0	111.8	A2 Y181 K183	A2-G4 PolarHBondContact O-N 3.01Å; G4-Y181 WeakPolarHBondContact O-CE1 3.44Å; G4-K183 PolarHBondContact O-NZ 3.38Å
5	H	87.4	Confident	84.3	Confident	127 Å²	127	80.6 Å²	80.6	59%	0.588	43%	0.432	S	S	*	.			trans	-118.6	162.1	167.3	-58.8	-75.1	0	0	0	109	T7	H5-T7 HydrophobicContact CB-CG2 4.27Å
6	L	94.9	Very high	85.2	Confident	5 Å²	5	75.6 Å²	75.6	3%	0.026	41%	0.405	C	S	.	.			trans	-128.6	105.5	164.8	172	74.7	0	0	0	107.2	E10 L19 W23 F179 Y181 D189 I191	L6-E10 VanDerWaalsContact CA-OE2 3.3Å; L6-E10 WeakPolarHBondContact CA-OE2 3.21Å; L6-L19 HydrophobicContact CD1-CD2 4.1Å; L6-W23 HydrophobicContact CD1-CZ2 4.1Å; L6-W23 HydrophobicContact CD2-CH2 3.9Å; L6-W23 HydrophobicContact CD2-CZ2 3.85Å; L6-W23 HydrophobicContact CG-CZ2 4.38Å; L6-F179 HydrophobicContact CD2-CB 3.76Å; L6-F179 WeakPolarHBondContact CD2-O 3.44Å; L6-Y181 HydrophobicContact CB-CD1 4.46Å; L6-D189 HydrophobicContact CB-CB 3.72Å; L6-D189 HydrophobicContact CD2-CB 4.48Å; L6-D189 HydrophobicContact CG-CB 4.48Å; L6-D189 PolarHBondContact N-OD2 2.92Å; L6-D189 VanDerWaalsContact O-CB 3.3Å; L6-D189 WeakPolarHBondContact O-CB 3.38Å; L6-I191 HydrophobicContact CD1-CG1 4.13Å; L6-I191 HydrophobicContact CD2-CB 4.11Å; L6-I191 HydrophobicContact CD2-CG1 3.86Å; L6-I191 HydrophobicContact CG-CB 4.35Å; L6-I191 HydrophobicContact CG-CG1 3.65Å
7	T	94.7	Very high	85.9	Confident	34 Å²	34	71.8 Å²	71.8	21%	0.209	39%	0.385	C	S	.	.			trans	-120.2	160.6	-178.1	61.6	0	0	0	0	110.8	H5 R9 E10 C11	H5-T7 HydrophobicContact CB-CG2 4.27Å; T7-R9 PolarHBondContact O-N 2.71Å; T7-E10 PolarHBondContact N-OE2 3.33Å; T7-E10 PolarHBondContact O-N 3.01Å; T7-E10 WeakPolarHBondContact OG1-CG 3.43Å; T7-E10 PolarHBondContact OG1-N 3.1Å; T7-E10 PolarHBondContact OG1-OE2 3.3Å; T7-C11 PolarHBondContact O-N 2.95Å; T7-C11 PolarHBondContact O-SG 2.83Å
8	E	95	Very high	86.5	Confident	39 Å²	39	69.6 Å²	69.6	18%	0.182	38%	0.376	C	S	.	.	H	α-helix	trans	-53	-39.1	170.4	61.1	-78.1	178.9	0	0	111.1	E10 C11 I12 I191 Y208 L216 R218	E8-E10 VanDerWaalsContact C-N 3.32Å; E8-E10 PolarHBondContact O-N 2.9Å; E8-C11 CarbonylContact O-C 3.55Å; E8-C11 WeakPolarHBondContact O-CA 3.41Å; E8-C11 WeakPolarHBondContact O-CB 3.27Å; E8-C11 PolarHBondContact O-N 3.11Å; E8-I12 WeakPolarHBondContact O-CG1 3.47Å; E8-I12 PolarHBondContact O-N 3.47Å; E8-I191 HydrophobicContact CB-CD1 4.32Å; E8-Y208 HydrophobicContact CB-CD1 4.5Å; E8-Y208 HydrophobicContact CB-CD2 3.79Å; E8-Y208 HydrophobicContact CB-CE1 4.4Å; E8-Y208 HydrophobicContact CB-CE2 3.69Å; E8-Y208 HydrophobicContact CB-CG 4.21Å; E8-Y208 HydrophobicContact CG-CD1 4.45Å; E8-Y208 HydrophobicContact CG-CD2 4.26Å; E8-Y208 HydrophobicContact CG-CE1 3.92Å; E8-Y208 HydrophobicContact CG-CE2 3.72Å; E8-L216 HydrophobicContact CB-CD1 3.96Å; E8-R218 WeakPolarHBondContact OE2-CD 3.31Å; E8-R218 IonicContact OE2-NH1 2.71Å; E8-R218 PolarHBondContact OE2-NH1 3Å
9	R	94.5	Very high	87.1	Confident	209 Å²	209	66.3 Å²	66.3	79%	0.789	36%	0.358	S	S	*	.	H	α-helix	trans	-63.7	-35.9	-178.2	-173.7	175.8	179.9	161.2	0.7	113	T7 C11	T7-R9 PolarHBondContact O-N 2.71Å; R9-C11 PolarHBondContact O-N 2.7Å
10	E	92.9	Very high	87.7	Confident	97 Å²	97	63 Å²	63	45%	0.453	34%	0.34	S	S	.	.	H	α-helix	trans	-73.9	-14.3	175.3	-68.7	164.4	135.6	0	0	112.5	L6 T7 E8 R14	L6-E10 VanDerWaalsContact CA-OE2 3.3Å; L6-E10 WeakPolarHBondContact CA-OE2 3.21Å; T7-E10 PolarHBondContact N-OE2 3.33Å; T7-E10 PolarHBondContact O-N 3.01Å; T7-E10 WeakPolarHBondContact OG1-CG 3.43Å; T7-E10 PolarHBondContact OG1-N 3.1Å; T7-E10 PolarHBondContact OG1-OE2 3.3Å; E8-E10 VanDerWaalsContact C-N 3.32Å; E8-E10 PolarHBondContact O-N 2.9Å; E10-R14 VanDerWaalsContact O-CD 3.24Å; E10-R14 WeakPolarHBondContact O-CD 3.43Å
11	C	95.9	Very high	88.1	Confident	1 Å²	1	64 Å²	64	1%	0.007	34%	0.342	C	S	.	.	H	α-helix	trans	-108.5	-18.7	-174.4	-61.4	0	0	0	0	113.6	T7 E8 R9 G13 R14 I191 F193 L216	T7-C11 PolarHBondContact O-N 2.95Å; T7-C11 PolarHBondContact O-SG 2.83Å; E8-C11 CarbonylContact O-C 3.55Å; E8-C11 WeakPolarHBondContact O-CA 3.41Å; E8-C11 WeakPolarHBondContact O-CB 3.27Å; E8-C11 PolarHBondContact O-N 3.11Å; R9-C11 PolarHBondContact O-N 2.7Å; C11-G13 PolarHBondContact O-N 3.35Å; C11-R14 VanDerWaalsContact O-CB 3.26Å; C11-R14 WeakPolarHBondContact O-CB 3.48Å; C11-R14 PolarHBondContact O-N 2.87Å; C11-I191 HydrophobicContact CB-CG2 4.24Å; C11-F193 HydrophobicContact CB-CE2 4.41Å; C11-F193 HydrophobicContact CB-CZ 3.8Å; C11-L216 VanDerWaalsContact C-CD2 3.47Å; C11-L216 HydrophobicContact CB-CD1 4.08Å; C11-L216 HydrophobicContact CB-CD2 3.73Å; C11-L216 WeakPolarHBondContact O-CD2 3.28Å
12	I	95.2	Very high	90.6	Very high	78 Å²	78	57.8 Å²	57.8	40%	0.4	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	131.9	177.7	-75.3	165	0	0	0	110.2	E8 R14 Y208	E8-I12 WeakPolarHBondContact O-CG1 3.47Å; E8-I12 PolarHBondContact O-N 3.47Å; I12-R14 PolarHBondContact O-N 3.22Å; I12-Y208 HydrophobicContact CD1-CD1 3.79Å; I12-Y208 HydrophobicContact CD1-CE1 4.45Å; I12-Y208 HydrophobicContact CD1-CG 4.49Å; I12-Y208 HydrophobicContact CG1-CD1 4.12Å; I12-Y208 HydrophobicContact CG1-CG 4.35Å
13	G	93.4	Very high	92.9	Very high	49 Å²	49	54.5 Å²	54.5	51%	0.505	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	2.3	-179.9	0	0	0	0	0	114.9	C11 A209 S211	C11-G13 PolarHBondContact O-N 3.35Å; G13-A209 PolarHBondContact N-O 3.33Å; G13-S211 WeakPolarHBondContact O-CB 3.41Å
14	R	95.2	Very high	94.8	Very high	60 Å²	60	50.2 Å²	50.2	23%	0.226	25%	0.254	C	S	.	.			trans	-89	158.4	172.5	-59.4	-168.5	63.8	164.7	7	111.5	E10 C11 I12 S18 L19 D22 G210 S211	E10-R14 VanDerWaalsContact O-CD 3.24Å; E10-R14 WeakPolarHBondContact O-CD 3.43Å; C11-R14 VanDerWaalsContact O-CB 3.26Å; C11-R14 WeakPolarHBondContact O-CB 3.48Å; C11-R14 PolarHBondContact O-N 2.87Å; I12-R14 PolarHBondContact O-N 3.22Å; R14-S18 PolarHBondContact NE-OG 2.99Å; R14-S18 PolarHBondContact NH2-O 2.89Å; R14-S18 PolarHBondContact NH2-OG 3.36Å; R14-L19 VanDerWaalsContact NH2-CA 3.34Å; R14-D22 IonicContact CZ-OD2 3.48Å; R14-D22 VanDerWaalsContact CZ-OD2 3.23Å; R14-D22 IonicContact NH1-OD2 3.92Å; R14-D22 PolarHBondContact NH1-OD2 2.91Å; R14-D22 IonicContact NH2-OD1 3.35Å; R14-D22 IonicContact NH2-OD2 2.7Å; R14-D22 PolarHBondContact NH2-OD2 3.45Å; R14-G210 CarbonylContact O-C 3.49Å; R14-G210 WeakPolarHBondContact O-CA 3.18Å; R14-S211 PolarHBondContact O-N 2.83Å
15	E	94.9	Very high	95.7	Very high	64 Å²	64	52.6 Å²	52.6	30%	0.299	26%	0.256	S	S	.	.			trans	-98.2	152.1	161	64.9	-174.4	-176.6	0	0	110.3	M17 S18 L19	E15-M17 VanDerWaalsContact C-N 3.27Å; E15-M17 PolarHBondContact O-N 2.85Å; E15-S18 PolarHBondContact O-N 3.49Å; E15-S18 PolarHBondContact O-OG 3.27Å; E15-L19 PolarHBondContact O-N 2.95Å
16	P	97.8	Very high	96.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60.8	-34.8	-177.8	22.3	-32.9	0	0	0	112.9	S18 L19 F20 V177 F179 F193 W214	P16-S18 VanDerWaalsContact C-N 3.33Å; P16-S18 PolarHBondContact O-N 3.41Å; P16-L19 PolarHBondContact O-N 2.89Å; P16-F20 WeakPolarHBondContact O-CB 3.46Å; P16-F20 PolarHBondContact O-N 2.92Å; P16-V177 HydrophobicContact CB-CB 3.8Å; P16-V177 HydrophobicContact CB-CG1 4.18Å; P16-V177 HydrophobicContact CB-CG2 3.76Å; P16-V177 HydrophobicContact CG-CG2 4.1Å; P16-F179 HydrophobicContact CB-CE2 4.07Å; P16-F179 HydrophobicContact CB-CZ 4.44Å; P16-F179 WeakPolarHBondContact O-CZ 3.37Å; P16-F193 HydrophobicContact CB-CB 3.94Å; P16-F193 HydrophobicContact CB-CD1 4.32Å; P16-F193 HydrophobicContact CB-CD2 4.05Å; P16-F193 HydrophobicContact CB-CG 3.85Å; P16-F193 HydrophobicContact CG-CB 4.12Å; P16-F193 HydrophobicContact CG-CD1 4.48Å; P16-F193 HydrophobicContact CG-CG 4.3Å; P16-W214 HydrophobicContact CG-CD2 3.78Å; P16-W214 HydrophobicContact CG-CE3 4.04Å; P16-W214 HydrophobicContact CG-CG 4.35Å; P16-W214 HydrophobicContact CG-CH2 4Å; P16-W214 HydrophobicContact CG-CZ2 3.71Å; P16-W214 HydrophobicContact CG-CZ3 4.14Å
17	M	97.9	Very high	96.3	Very high	11 Å²	11	48 Å²	48	5%	0.054	24%	0.241	C	C	.	.	H	α-helix	trans	-65.2	-35.7	-179.1	-64.7	-47.7	-65.1	0	0	112.5	E15 L19 F20 H21 Y59 D60 F64 P174	E15-M17 VanDerWaalsContact C-N 3.27Å; E15-M17 PolarHBondContact O-N 2.85Å; M17-L19 PolarHBondContact O-N 2.95Å; M17-F20 HydrophobicContact CE-CD1 4.39Å; M17-F20 WeakPolarHBondContact O-CB 3.42Å; M17-F20 PolarHBondContact O-N 2.81Å; M17-H21 PolarHBondContact O-N 2.86Å; M17-Y59 HydrophobicContact CE-CD2 4.09Å; M17-D60 VanDerWaalsContact CE-O 3.28Å; M17-D60 WeakPolarHBondContact CE-O 3.23Å; M17-F64 HydrophobicContact CE-CD1 4.35Å; M17-F64 HydrophobicContact CE-CD2 4.44Å; M17-F64 HydrophobicContact CE-CE1 3.82Å; M17-F64 HydrophobicContact CE-CE2 3.91Å; M17-F64 HydrophobicContact CE-CZ 3.57Å; M17-F64 HydrophobicContact SD-CE1 4.43Å; M17-F64 HydrophobicContact SD-CE2 3.66Å; M17-F64 HydrophobicContact SD-CZ 3.6Å; M17-F64 VanDerWaalsContact SD-CZ 3.6Å; M17-P174 HydrophobicContact SD-CG 4.19Å
18	S	96.7	Very high	96.4	Very high	32 Å²	32	48.4 Å²	48.4	22%	0.224	24%	0.243	C	C	.	.	H	α-helix	trans	-62.9	-41.6	173.3	75.8	0	0	0	0	112.2	R14 E15 P16 H21 D22	R14-S18 PolarHBondContact NE-OG 2.99Å; R14-S18 PolarHBondContact NH2-O 2.89Å; R14-S18 PolarHBondContact NH2-OG 3.36Å; E15-S18 PolarHBondContact O-N 3.49Å; E15-S18 PolarHBondContact O-OG 3.27Å; P16-S18 VanDerWaalsContact C-N 3.33Å; P16-S18 PolarHBondContact O-N 3.41Å; S18-H21 WeakPolarHBondContact O-CB 3.34Å; S18-H21 PolarHBondContact O-N 3.22Å; S18-D22 PolarHBondContact O-N 2.72Å
19	L	97.1	Very high	96.5	Very high	7 Å²	7	52.8 Å²	52.8	4%	0.037	27%	0.268	C	S	.	.	H	α-helix	trans	-72	-35.5	178.9	-179.4	61.7	0	0	0	111.4	L6 R14 E15 P16 M17 H21 D22 W23 F179 F193	L6-L19 HydrophobicContact CD1-CD2 4.1Å; R14-L19 VanDerWaalsContact NH2-CA 3.34Å; E15-L19 PolarHBondContact O-N 2.95Å; P16-L19 PolarHBondContact O-N 2.89Å; M17-L19 PolarHBondContact O-N 2.95Å; L19-H21 VanDerWaalsContact C-N 3.33Å; L19-D22 PolarHBondContact O-N 3.38Å; L19-W23 PolarHBondContact O-N 3.43Å; L19-F179 HydrophobicContact CB-CE1 4.09Å; L19-F179 HydrophobicContact CB-CE2 4.37Å; L19-F179 HydrophobicContact CB-CZ 3.91Å; L19-F179 HydrophobicContact CD2-CB 4.37Å; L19-F179 HydrophobicContact CD2-CD1 3.81Å; L19-F179 HydrophobicContact CD2-CD2 3.72Å; L19-F179 HydrophobicContact CD2-CE1 3.98Å; L19-F179 HydrophobicContact CD2-CE2 3.88Å; L19-F179 HydrophobicContact CD2-CG 3.69Å; L19-F179 HydrophobicContact CD2-CZ 4.01Å; L19-F179 HydrophobicContact CG-CD1 3.88Å; L19-F179 HydrophobicContact CG-CD2 4.49Å; L19-F179 HydrophobicContact CG-CE1 3.7Å; L19-F179 HydrophobicContact CG-CE2 4.32Å; L19-F179 HydrophobicContact CG-CG 4.29Å; L19-F179 HydrophobicContact CG-CZ 3.94Å; L19-F193 HydrophobicContact CD2-CE2 3.91Å; L19-F193 HydrophobicContact CD2-CZ 4.4Å
20	F	98.4	Very high	96.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-59	-46.1	170.7	178.3	-93.2	0	0	0	111.2	P16 M17 D22 W23 Y24 L56 Y59 F64 F88 W90 V97 F179	P16-F20 WeakPolarHBondContact O-CB 3.46Å; P16-F20 PolarHBondContact O-N 2.92Å; M17-F20 HydrophobicContact CE-CD1 4.39Å; M17-F20 WeakPolarHBondContact O-CB 3.42Å; M17-F20 PolarHBondContact O-N 2.81Å; F20-D22 PolarHBondContact O-N 2.95Å; F20-W23 PolarHBondContact O-N 2.99Å; F20-Y24 AromaticContact CE1-CD2 3.89Å; F20-Y24 HydrophobicContact CE1-CD2 3.89Å; F20-Y24 HydrophobicContact CE1-CG 4.12Å; F20-Y24 AromaticContact CZ-CD2 3.69Å; F20-Y24 HydrophobicContact CZ-CD2 3.69Å; F20-Y24 HydrophobicContact CZ-CG 4.32Å; F20-Y24 VanDerWaalsContact O-CB 3.29Å; F20-Y24 WeakPolarHBondContact O-CB 3.48Å; F20-Y24 PolarHBondContact O-N 2.93Å; F20-L56 HydrophobicContact CE1-CD2 4.46Å; F20-L56 HydrophobicContact CZ-CD2 4.23Å; F20-Y59 HydrophobicContact CD1-CD1 4.45Å; F20-Y59 AromaticContact CD1-CD2 3.78Å; F20-Y59 HydrophobicContact CD1-CD2 3.78Å; F20-Y59 HydrophobicContact CD1-CE1 4.44Å; F20-Y59 AromaticContact CD1-CE2 3.78Å; F20-Y59 HydrophobicContact CD1-CE2 3.78Å; F20-Y59 HydrophobicContact CD1-CG 4.12Å; F20-Y59 AromaticContact CE1-CD1 3.7Å; F20-Y59 HydrophobicContact CE1-CD1 3.7Å; F20-Y59 AromaticContact CE1-CD2 3.86Å; F20-Y59 HydrophobicContact CE1-CD2 3.86Å; F20-Y59 AromaticContact CE1-CE1 3.76Å; F20-Y59 HydrophobicContact CE1-CE1 3.76Å; F20-Y59 AromaticContact CE1-CE2 3.93Å; F20-Y59 HydrophobicContact CE1-CE2 3.93Å; F20-Y59 AromaticContact CE1-CG 3.73Å; F20-Y59 HydrophobicContact CE1-CG 3.73Å; F20-Y59 AromaticContact CE1-CZ 3.88Å; F20-F64 AromaticContact CD1-CE1 3.76Å; F20-F64 HydrophobicContact CD1-CE1 3.76Å; F20-F64 HydrophobicContact CD1-CZ 4.37Å; F20-F64 AromaticContact CD2-CE1 3.76Å; F20-F64 HydrophobicContact CD2-CE1 3.76Å; F20-F64 HydrophobicContact CD2-CZ 4.07Å; F20-F64 HydrophobicContact CE1-CD1 4.28Å; F20-F64 AromaticContact CE1-CE1 3.62Å; F20-F64 HydrophobicContact CE1-CE1 3.62Å; F20-F64 AromaticContact CE2-CE1 3.6Å; F20-F64 HydrophobicContact CE2-CE1 3.6Å; F20-F64 HydrophobicContact CE2-CZ 4.31Å; F20-F64 AromaticContact CG-CE1 3.83Å; F20-F64 HydrophobicContact CG-CE1 3.83Å; F20-F64 HydrophobicContact CG-CZ 4.1Å; F20-F64 HydrophobicContact CZ-CD1 4.18Å; F20-F64 AromaticContact CZ-CE1 3.54Å; F20-F64 HydrophobicContact CZ-CE1 3.54Å; F20-F88 HydrophobicContact CE2-CD1 4.47Å; F20-F88 AromaticContact CE2-CD2 3.86Å; F20-F88 HydrophobicContact CE2-CD2 3.86Å; F20-F88 HydrophobicContact CE2-CE1 4.38Å; F20-F88 AromaticContact CE2-CE2 3.76Å; F20-F88 HydrophobicContact CE2-CE2 3.76Å; F20-F88 HydrophobicContact CE2-CG 4.22Å; F20-F88 HydrophobicContact CE2-CZ 4.04Å; F20-F88 HydrophobicContact CZ-CE1 4.14Å; F20-F88 HydrophobicContact CZ-CE2 4.09Å; F20-F88 AromaticContact CZ-CZ 3.89Å; F20-F88 HydrophobicContact CZ-CZ 3.89Å; F20-W90 HydrophobicContact CD2-CH2 4.24Å; F20-W90 AromaticContact CE2-CH2 3.72Å; F20-W90 HydrophobicContact CE2-CH2 3.72Å; F20-W90 HydrophobicContact CE2-CZ2 4.13Å; F20-W90 HydrophobicContact CZ-CH2 4.22Å; F20-W90 HydrophobicContact CZ-CZ2 4.34Å; F20-V97 HydrophobicContact CD2-CB 4.33Å; F20-V97 HydrophobicContact CD2-CG1 4.07Å; F20-V97 HydrophobicContact CD2-CG2 4.18Å; F20-F179 HydrophobicContact CB-CE1 4.22Å; F20-F179 HydrophobicContact CB-CZ 4.15Å
21	H	98	Very high	96.7	Very high	84 Å²	84	44.4 Å²	44.4	39%	0.389	24%	0.243	S	C	.	.	H	α-helix	trans	-55.4	-51.1	177.9	179.8	61.9	0	0	0	111.9	M17 S18 L19 W23 Y24 E25 Y59	M17-H21 PolarHBondContact O-N 2.86Å; S18-H21 WeakPolarHBondContact O-CB 3.34Å; S18-H21 PolarHBondContact O-N 3.22Å; L19-H21 VanDerWaalsContact C-N 3.33Å; H21-W23 VanDerWaalsContact C-N 3.27Å; H21-W23 PolarHBondContact O-N 3.4Å; H21-Y24 PolarHBondContact O-N 3.35Å; H21-E25 WeakPolarHBondContact O-CG 3.36Å; H21-E25 PolarHBondContact O-N 2.72Å; H21-Y59 HydrophobicContact CB-CE2 4.11Å; H21-Y59 AromaticContact ND1-CE2 3.92Å; H21-Y59 AromaticContact ND1-CZ 3.84Å; H21-Y59 PolarHBondContact ND1-OH 3.36Å
22	D	97.2	Very high	96.5	Very high	77 Å²	77	48 Å²	48	41%	0.412	27%	0.267	S	S	.	.	H	α-helix	trans	-56.7	-41.8	178.2	-63.6	-17.2	0	0	0	112.3	R14 S18 L19 F20 A26	R14-D22 IonicContact CZ-OD2 3.48Å; R14-D22 VanDerWaalsContact CZ-OD2 3.23Å; R14-D22 IonicContact NH1-OD2 3.92Å; R14-D22 PolarHBondContact NH1-OD2 2.91Å; R14-D22 IonicContact NH2-OD1 3.35Å; R14-D22 IonicContact NH2-OD2 2.7Å; R14-D22 PolarHBondContact NH2-OD2 3.45Å; S18-D22 PolarHBondContact O-N 2.72Å; L19-D22 PolarHBondContact O-N 3.38Å; F20-D22 PolarHBondContact O-N 2.95Å; D22-A26 PolarHBondContact O-N 2.95Å; D22-A26 VanDerWaalsContact O-N 3.12Å
23	W	97.7	Very high	96.2	Very high	11 Å²	11	50.4 Å²	50.4	4%	0.042	28%	0.276	C	S	.	.	H	α-helix	trans	-75.5	-34.8	-179	-72.5	27.2	0	0	0	112.3	L6 L19 F20 H21 A26 A27 W90 K95 Q96 V97 F179 C180	L6-W23 HydrophobicContact CD1-CZ2 4.1Å; L6-W23 HydrophobicContact CD2-CH2 3.9Å; L6-W23 HydrophobicContact CD2-CZ2 3.85Å; L6-W23 HydrophobicContact CG-CZ2 4.38Å; L19-W23 PolarHBondContact O-N 3.43Å; F20-W23 PolarHBondContact O-N 2.99Å; H21-W23 VanDerWaalsContact C-N 3.27Å; H21-W23 PolarHBondContact O-N 3.4Å; W23-A26 PolarHBondContact O-N 3.26Å; W23-A27 VanDerWaalsContact O-CB 3.32Å; W23-A27 WeakPolarHBondContact O-CB 3.18Å; W23-A27 PolarHBondContact O-N 3.44Å; W23-W90 HydrophobicContact CB-CE3 4.36Å; W23-W90 HydrophobicContact CB-CH2 4.24Å; W23-W90 HydrophobicContact CB-CZ3 3.53Å; W23-W90 HydrophobicContact CE3-CZ3 4.24Å; W23-K95 HydrophobicContact CD2-CB 4.27Å; W23-K95 HydrophobicContact CD2-CD 3.53Å; W23-K95 HydrophobicContact CD2-CG 4.04Å; W23-K95 VanDerWaalsContact CE2-CE 3.48Å; W23-K95 HydrophobicContact CE3-CB 3.52Å; W23-K95 HydrophobicContact CE3-CD 3.69Å; W23-K95 HydrophobicContact CE3-CG 3.7Å; W23-K95 HydrophobicContact CG-CD 3.96Å; W23-K95 HydrophobicContact CH2-CB 4.21Å; W23-K95 HydrophobicContact CH2-CD 4.2Å; W23-K95 HydrophobicContact CH2-CG 3.77Å; W23-K95 HydrophobicContact CZ2-CD 4.09Å; W23-K95 HydrophobicContact CZ2-CG 4.13Å; W23-K95 HydrophobicContact CZ3-CB 3.49Å; W23-K95 VanDerWaalsContact CZ3-CB 3.49Å; W23-K95 HydrophobicContact CZ3-CD 4.03Å; W23-K95 HydrophobicContact CZ3-CG 3.56Å; W23-Q96 WeakPolarHBondContact CZ3-O 3.47Å; W23-V97 HydrophobicContact CE3-CG2 3.7Å; W23-V97 HydrophobicContact CZ3-CG2 4.15Å; W23-F179 AromaticContact CD2-CD1 3.96Å; W23-F179 HydrophobicContact CD2-CD1 3.96Å; W23-F179 AromaticContact CE3-CD1 3.77Å; W23-F179 HydrophobicContact CE3-CD1 3.77Å; W23-F179 HydrophobicContact CH2-CB 3.75Å; W23-F179 HydrophobicContact CH2-CD1 4.17Å; W23-F179 HydrophobicContact CH2-CG 4.48Å; W23-F179 HydrophobicContact CZ2-CB 4.22Å; W23-F179 HydrophobicContact CZ2-CD1 4.32Å; W23-F179 HydrophobicContact CZ3-CB 4.03Å; W23-F179 AromaticContact CZ3-CD1 3.87Å; W23-F179 HydrophobicContact CZ3-CD1 3.87Å; W23-F179 HydrophobicContact CZ3-CG 4.47Å; W23-C180 WeakPolarHBondContact CZ3-O 3.28Å
24	Y	98	Very high	96	Very high	35 Å²	35	48.2 Å²	48.2	14%	0.137	25%	0.253	C	S	.	.	H	α-helix	trans	-65.9	-41	175.2	-173	-87.9	0	0	0	111.2	F20 H21 A27 T28 F36 L56 Y59 W90	F20-Y24 AromaticContact CE1-CD2 3.89Å; F20-Y24 HydrophobicContact CE1-CD2 3.89Å; F20-Y24 HydrophobicContact CE1-CG 4.12Å; F20-Y24 AromaticContact CZ-CD2 3.69Å; F20-Y24 HydrophobicContact CZ-CD2 3.69Å; F20-Y24 HydrophobicContact CZ-CG 4.32Å; F20-Y24 VanDerWaalsContact O-CB 3.29Å; F20-Y24 WeakPolarHBondContact O-CB 3.48Å; F20-Y24 PolarHBondContact O-N 2.93Å; H21-Y24 PolarHBondContact O-N 3.35Å; Y24-A27 PolarHBondContact O-N 3.21Å; Y24-T28 WeakPolarHBondContact CE1-OG1 3.24Å; Y24-T28 WeakPolarHBondContact O-CB 3.49Å; Y24-T28 PolarHBondContact O-N 3.24Å; Y24-T28 PolarHBondContact O-OG1 3.48Å; Y24-F36 WeakPolarHBondContact OH-CB 3.32Å; Y24-L56 HydrophobicContact CD2-CD2 4.49Å; Y24-L56 HydrophobicContact CE2-CD2 3.93Å; Y24-Y59 AromaticContact CD1-CE1 3.69Å; Y24-Y59 HydrophobicContact CD1-CE1 3.69Å; Y24-Y59 AromaticContact CD1-CZ 3.96Å; Y24-Y59 WeakPolarHBondContact CD1-OH 3.5Å; Y24-Y59 HydrophobicContact CD2-CE1 4.15Å; Y24-Y59 AromaticContact CE1-CE1 3.92Å; Y24-Y59 HydrophobicContact CE1-CE1 3.92Å; Y24-Y59 HydrophobicContact CE2-CE1 4.35Å; Y24-Y59 AromaticContact CG-CE1 3.81Å; Y24-Y59 HydrophobicContact CG-CE1 3.81Å; Y24-W90 HydrophobicContact CD2-CH2 4.37Å; Y24-W90 AromaticContact CD2-CZ2 3.85Å; Y24-W90 HydrophobicContact CD2-CZ2 3.85Å
25	E	97.9	Very high	96	Very high	84 Å²	84	45.5 Å²	45.5	39%	0.393	24%	0.244	S	C	.	.	H	α-helix	trans	-62	-46.1	173	-77.7	-65.8	116.4	0	0	111.3	H21 A27 T28 N29	H21-E25 WeakPolarHBondContact O-CG 3.36Å; H21-E25 PolarHBondContact O-N 2.72Å; E25-A27 VanDerWaalsContact C-N 3.3Å; E25-A27 PolarHBondContact O-N 3.02Å; E25-T28 PolarHBondContact O-N 2.75Å; E25-N29 PolarHBondContact O-N 3.19Å; E25-N29 PolarHBondContact O-ND2 2.88Å
26	A	97.1	Very high	96.1	Very high	36 Å²	36	46.1 Å²	46.1	30%	0.298	25%	0.245	S	C	.	.	H	α-helix	trans	-60.8	-40.4	174.7	0	0	0	0	0	112.1	D22 W23 N29 A30 I93	D22-A26 PolarHBondContact O-N 2.95Å; D22-A26 VanDerWaalsContact O-N 3.12Å; W23-A26 PolarHBondContact O-N 3.26Å; A26-N29 PolarHBondContact O-N 2.7Å; A26-A30 WeakPolarHBondContact O-CB 3.46Å; A26-A30 PolarHBondContact O-N 3.26Å; A26-I93 HydrophobicContact CB-CD1 4.19Å
27	A	97.3	Very high	96	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.008	26%	0.257	C	S	.	.	H	α-helix	trans	-68.1	-37.7	176.9	0	0	0	0	0	112	W23 Y24 E25 N29 A30 W31 C35 W90 I93	W23-A27 VanDerWaalsContact O-CB 3.32Å; W23-A27 WeakPolarHBondContact O-CB 3.18Å; W23-A27 PolarHBondContact O-N 3.44Å; Y24-A27 PolarHBondContact O-N 3.21Å; E25-A27 VanDerWaalsContact C-N 3.3Å; E25-A27 PolarHBondContact O-N 3.02Å; A27-N29 VanDerWaalsContact C-N 3.34Å; A27-A30 PolarHBondContact O-N 3.43Å; A27-W31 CarbonylContact O-C 3.56Å; A27-W31 WeakPolarHBondContact O-CA 3.12Å; A27-W31 PolarHBondContact O-N 3.27Å; A27-C35 HydrophobicContact CB-CB 3.9Å; A27-W90 HydrophobicContact CB-CB 4.09Å; A27-W90 HydrophobicContact CB-CD2 3.4Å; A27-W90 HydrophobicContact CB-CE3 3.9Å; A27-W90 HydrophobicContact CB-CG 3.52Å; A27-W90 HydrophobicContact CB-CZ2 4.23Å; A27-W90 HydrophobicContact CB-CZ3 4.49Å; A27-I93 HydrophobicContact CB-CD1 3.78Å
28	T	96.4	Very high	96	Very high	42 Å²	42	47.8 Å²	47.8	26%	0.258	26%	0.256	S	S	.	.	H	α-helix	trans	-63.8	-42.1	176.4	-61.5	0	0	0	0	110.5	Y24 E25 P32 C35	Y24-T28 WeakPolarHBondContact CE1-OG1 3.24Å; Y24-T28 WeakPolarHBondContact O-CB 3.49Å; Y24-T28 PolarHBondContact O-N 3.24Å; Y24-T28 PolarHBondContact O-OG1 3.48Å; E25-T28 PolarHBondContact O-N 2.75Å; T28-P32 WeakPolarHBondContact O-CA 3.19Å; T28-P32 VanDerWaalsContact O-CD 3.23Å; T28-P32 WeakPolarHBondContact O-CD 3.43Å; T28-P32 WeakPolarHBondContact O-CG 3.49Å; T28-C35 PolarHBondContact OG1-SG 3.18Å
29	N	97.3	Very high	96.1	Very high	130 Å²	130	48.9 Å²	48.9	70%	0.695	26%	0.261	S	S	*	.	H	α-helix	trans	-68.4	-37.6	176.4	-72.3	-53	0	0	0	113.1	E25 A26 A27	E25-N29 PolarHBondContact O-N 3.19Å; E25-N29 PolarHBondContact O-ND2 2.88Å; A26-N29 PolarHBondContact O-N 2.7Å; A27-N29 VanDerWaalsContact C-N 3.34Å
30	A	96.8	Very high	96.2	Very high	51 Å²	51	48.5 Å²	48.5	42%	0.421	26%	0.259	S	S	.	.	H	α-helix	trans	-85.7	-28.8	-177.4	0	0	0	0	0	113.9	A26 A27 P92 I93	A26-A30 WeakPolarHBondContact O-CB 3.46Å; A26-A30 PolarHBondContact O-N 3.26Å; A27-A30 PolarHBondContact O-N 3.43Å; A30-P92 HydrophobicContact CB-CB 4.22Å; A30-I93 HydrophobicContact CB-CG2 3.51Å
31	W	95	Very high	96.2	Very high	80 Å²	80	50.1 Å²	50.1	30%	0.303	27%	0.272	S	S	.	.			trans	-152.9	67.5	-174	-159.4	23.9	0	0	0	112.9	A27 Q33 G34 C35 P92	A27-W31 CarbonylContact O-C 3.56Å; A27-W31 WeakPolarHBondContact O-CA 3.12Å; A27-W31 PolarHBondContact O-N 3.27Å; W31-Q33 PolarHBondContact O-N 3.02Å; W31-Q33 VanDerWaalsContact O-N 3.1Å; W31-G34 PolarHBondContact O-N 2.86Å; W31-C35 PolarHBondContact O-N 3.09Å; W31-P92 HydrophobicContact CB-CG 3.94Å; W31-P92 HydrophobicContact CD2-CG 4.12Å; W31-P92 HydrophobicContact CE3-CG 4.26Å; W31-P92 HydrophobicContact CG-CG 4Å
32	P	92	Very high	96.2	Very high	77 Å²	77	46.1 Å²	46.1	50%	0.5	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-37	-173.2	-21.3	25.5	0	0	0	114.6	T28 G34 C35 F36	T28-P32 WeakPolarHBondContact O-CA 3.19Å; T28-P32 VanDerWaalsContact O-CD 3.23Å; T28-P32 WeakPolarHBondContact O-CD 3.43Å; T28-P32 WeakPolarHBondContact O-CG 3.49Å; P32-G34 VanDerWaalsContact C-N 3.34Å; P32-C35 PolarHBondContact O-SG 2.89Å; P32-F36 WeakPolarHBondContact O-CE1 3.48Å
33	Q	87.9	Confident	96.3	Very high	128 Å²	128	44.6 Å²	44.6	60%	0.598	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-15.9	-178.5	72.3	-83.7	35.4	0	0	114.1	W31 F36	W31-Q33 PolarHBondContact O-N 3.02Å; W31-Q33 VanDerWaalsContact O-N 3.1Å; Q33-F36 WeakPolarHBondContact O-CZ 3.24Å
34	G	90.1	Very high	96.3	Very high	2 Å²	2	45.4 Å²	45.4	2%	0.021	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-16.7	-177.3	0	0	0	0	0	113.9	W31 P32 F36 T37	W31-G34 PolarHBondContact O-N 2.86Å; P32-G34 VanDerWaalsContact C-N 3.34Å; G34-F36 VanDerWaalsContact C-N 3.32Å; G34-F36 PolarHBondContact O-N 2.86Å; G34-T37 PolarHBondContact O-N 2.77Å; G34-T37 PolarHBondContact O-OG1 2.82Å
35	C	95.2	Very high	96.2	Very high	4 Å²	4	52.4 Å²	52.4	3%	0.027	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-40.1	-171.9	66.6	0	0	0	0	113.2	A27 T28 W31 P32 T37 W90	A27-C35 HydrophobicContact CB-CB 3.9Å; T28-C35 PolarHBondContact OG1-SG 3.18Å; W31-C35 PolarHBondContact O-N 3.09Å; P32-C35 PolarHBondContact O-SG 2.89Å; C35-T37 VanDerWaalsContact C-N 3.32Å; C35-T37 PolarHBondContact O-N 2.89Å; C35-W90 PolarHBondContact O-NE1 3.34Å
36	F	95.4	Very high	96.1	Very high	76 Å²	76	56.2 Å²	56.2	33%	0.333	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-8	179.7	58.5	-97	0	0	0	113.7	Y24 P32 Q33 G34 A55 L56	Y24-F36 WeakPolarHBondContact OH-CB 3.32Å; P32-F36 WeakPolarHBondContact O-CE1 3.48Å; Q33-F36 WeakPolarHBondContact O-CZ 3.24Å; G34-F36 VanDerWaalsContact C-N 3.32Å; G34-F36 PolarHBondContact O-N 2.86Å; F36-A55 HydrophobicContact CD2-CB 3.67Å; F36-A55 HydrophobicContact CE2-CB 3.98Å; F36-L56 HydrophobicContact CB-CB 4.29Å; F36-L56 VanDerWaalsContact O-CB 3.3Å; F36-L56 WeakPolarHBondContact O-CB 3.43Å; F36-L56 PolarHBondContact O-N 3.19Å
37	T	97.1	Very high	96.1	Very high	42 Å²	42	57 Å²	57	26%	0.258	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	137.2	-178.3	68.1	0	0	0	0	111.2	G34 C35 L54	G34-T37 PolarHBondContact O-N 2.77Å; G34-T37 PolarHBondContact O-OG1 2.82Å; C35-T37 VanDerWaalsContact C-N 3.32Å; C35-T37 PolarHBondContact O-N 2.89Å; T37-L54 WeakPolarHBondContact CA-O 3.41Å
38	F	98.3	Very high	96.1	Very high	4 Å²	4	62.3 Å²	62.3	2%	0.018	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	155.4	177	69	-87.1	0	0	0	111.3	L40 V53 L54 A55 L56 F66 M86 C87 F88	F38-L40 HydrophobicContact CD2-CB 4.34Å; F38-L40 HydrophobicContact CE2-CB 3.81Å; F38-L40 HydrophobicContact CE2-CD1 4.18Å; F38-V53 CarbonylContact O-C 3.56Å; F38-V53 VanDerWaalsContact O-CA 3.28Å; F38-V53 WeakPolarHBondContact O-CA 3.33Å; F38-L54 HydrophobicContact CD1-CB 4.49Å; F38-L54 HydrophobicContact CE1-CB 3.9Å; F38-L54 HydrophobicContact CE2-CB 4.09Å; F38-L54 HydrophobicContact CE2-CD1 4.38Å; F38-L54 HydrophobicContact CZ-CB 3.69Å; F38-L54 HydrophobicContact CZ-CD1 4.17Å; F38-L54 PolarHBondContact N-O 3.45Å; F38-L54 PolarHBondContact O-N 2.96Å; F38-A55 VanDerWaalsContact CE1-C 3.49Å; F38-L56 HydrophobicContact CD1-CB 4.06Å; F38-L56 HydrophobicContact CE1-CB 4.08Å; F38-L56 HydrophobicContact CE1-CD1 4.29Å; F38-F66 HydrophobicContact CE1-CB 4.22Å; F38-F66 HydrophobicContact CZ-CB 3.87Å; F38-F66 HydrophobicContact CZ-CD1 4.34Å; F38-F66 AromaticContact CZ-CG 3.99Å; F38-F66 HydrophobicContact CZ-CG 3.99Å; F38-M86 HydrophobicContact CD2-CB 3.96Å; F38-M86 HydrophobicContact CD2-CG 3.71Å; F38-M86 HydrophobicContact CD2-SD 4.37Å; F38-M86 HydrophobicContact CE2-CB 4.36Å; F38-M86 HydrophobicContact CE2-CE 3.92Å; F38-M86 HydrophobicContact CE2-CG 3.6Å; F38-M86 HydrophobicContact CE2-SD 4.04Å; F38-M86 HydrophobicContact CZ-CE 4.02Å; F38-M86 HydrophobicContact CZ-SD 4.42Å; F38-C87 CarbonylContact C-O 3.58Å; F38-C87 WeakPolarHBondContact CA-O 3.29Å; F38-F88 HydrophobicContact CB-CD1 3.7Å; F38-F88 HydrophobicContact CB-CD2 4.28Å; F38-F88 HydrophobicContact CB-CE1 3.6Å; F38-F88 HydrophobicContact CB-CE2 4.18Å; F38-F88 HydrophobicContact CB-CG 4.05Å; F38-F88 HydrophobicContact CB-CZ 3.84Å; F38-F88 HydrophobicContact CD1-CE1 4.12Å; F38-F88 HydrophobicContact CD1-CZ 4.16Å; F38-F88 HydrophobicContact CG-CE1 4.16Å; F38-F88 HydrophobicContact CG-CZ 4.1Å
39	T	98.7	Very high	96.1	Very high	55 Å²	55	65.3 Å²	65.3	34%	0.337	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	117.1	169.4	-60.6	0	0	0	0	109.3	R52 M86 C87	T39-R52 CarbonylContact C-O 3.34Å; T39-R52 VanDerWaalsContact CA-O 3.27Å; T39-R52 WeakPolarHBondContact CA-O 3.26Å; T39-M86 CarbonylContact O-C 3.52Å; T39-M86 WeakPolarHBondContact O-CA 3.42Å; T39-C87 PolarHBondContact N-O 2.98Å; T39-C87 PolarHBondContact O-N 2.8Å
40	L	98.7	Very high	96.2	Very high	0 Å²	0	62 Å²	62	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	127.8	166.7	-175.5	71.6	0	0	0	109.1	F38 T42 S51 R52 L54 F66 K74 A84 S85 M86	F38-L40 HydrophobicContact CD2-CB 4.34Å; F38-L40 HydrophobicContact CE2-CB 3.81Å; F38-L40 HydrophobicContact CE2-CD1 4.18Å; L40-T42 HydrophobicContact CD2-CG2 3.88Å; L40-T42 HydrophobicContact CG-CG2 4.03Å; L40-S51 CarbonylContact O-C 3.53Å; L40-S51 VanDerWaalsContact O-CA 3.28Å; L40-S51 WeakPolarHBondContact O-CA 3.3Å; L40-R52 HydrophobicContact CB-CG 4.46Å; L40-R52 PolarHBondContact N-O 2.75Å; L40-R52 PolarHBondContact O-N 2.86Å; L40-L54 HydrophobicContact CB-CD1 3.78Å; L40-L54 HydrophobicContact CB-CG 4.26Å; L40-L54 HydrophobicContact CD2-CD1 3.52Å; L40-L54 HydrophobicContact CG-CD1 4.25Å; L40-F66 HydrophobicContact CD1-CZ 4.22Å; L40-F66 HydrophobicContact CD2-CE2 3.96Å; L40-F66 HydrophobicContact CD2-CZ 4.21Å; L40-K74 HydrophobicContact CD2-CD 4.08Å; L40-A84 HydrophobicContact CD1-CB 4.12Å; L40-S85 CarbonylContact C-O 3.48Å; L40-S85 WeakPolarHBondContact CA-O 3.39Å; L40-M86 HydrophobicContact CD1-CE 4.36Å; L40-M86 HydrophobicContact CD1-CG 4.1Å
41	A	98.6	Very high	96.2	Very high	33 Å²	33	63.7 Å²	63.7	27%	0.273	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	132.8	164.9	0	0	0	0	0	110.8	H50 A84 S85	A41-H50 CarbonylContact C-O 3.5Å; A41-H50 VanDerWaalsContact CA-O 3.26Å; A41-H50 WeakPolarHBondContact CA-O 3.33Å; A41-A84 WeakPolarHBondContact O-CA 3.5Å; A41-S85 PolarHBondContact N-O 2.83Å; A41-S85 PolarHBondContact O-N 3.34Å
42	T	98.5	Very high	96.4	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.006	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	165.5	177.2	48.9	0	0	0	0	109.4	L40 P49 H50 R52 Q77 L78	L40-T42 HydrophobicContact CD2-CG2 3.88Å; L40-T42 HydrophobicContact CG-CG2 4.03Å; T42-P49 WeakPolarHBondContact O-CA 3.32Å; T42-H50 PolarHBondContact N-O 2.78Å; T42-H50 WeakPolarHBondContact O-CB 3.44Å; T42-H50 PolarHBondContact O-N 3.05Å; T42-R52 PolarHBondContact OG1-NH1 2.58Å; T42-Q77 PolarHBondContact OG1-OE1 2.84Å; T42-L78 HydrophobicContact CG2-CD1 4.45Å; T42-L78 HydrophobicContact CG2-CD2 3.48Å; T42-L78 VanDerWaalsContact CG2-CD2 3.48Å; T42-L78 HydrophobicContact CG2-CG 3.84Å
43	V	98.2	Very high	96.6	Very high	44 Å²	44	63.9 Å²	63.9	27%	0.267	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	133.3	179.9	-179.6	0	0	0	0	108.8	H48	V43-H48 WeakPolarHBondContact CA-O 3.47Å
44	D	97.3	Very high	97	Very high	28 Å²	28	59 Å²	59	15%	0.15	33%	0.326	C	S	.	.			trans	-82.5	175.5	176.1	70.5	22.1	0	0	0	113.1	F46 G47 H48 H50 Q77	D44-F46 PolarHBondContact O-N 2.87Å; D44-F46 VanDerWaalsContact O-N 3.12Å; D44-F46 WeakPolarHBondContact OD1-CA 3.33Å; D44-F46 WeakPolarHBondContact OD1-CB 3.27Å; D44-F46 PolarHBondContact OD1-N 3.37Å; D44-G47 PolarHBondContact O-N 3.01Å; D44-G47 PolarHBondContact OD1-N 3.41Å; D44-H48 PolarHBondContact N-O 3.28Å; D44-H48 IonicContact OD1-CG 3.4Å; D44-H48 PolarHBondContact OD1-N 3.18Å; D44-H48 IonicContact OD1-ND1 2.72Å; D44-H48 IonicContact OD2-ND1 2.72Å; D44-H50 IonicContact OD2-CD2 3.93Å; D44-H50 IonicContact OD2-CE1 2.7Å; D44-H50 IonicContact OD2-NE2 3.23Å; D44-H50 PolarHBondContact OD2-NE2 3.49Å; D44-Q77 HydrophobicContact CB-CG 4.01Å
45	H	95.6	Very high	97.3	Very high	183 Å²	183	60.9 Å²	60.9	85%	0.847	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-17.9	-179.5	-176.2	75	0	0	0	113.6	G47	H45-G47 VanDerWaalsContact C-N 3.34Å
46	F	96.6	Very high	97.3	Very high	163 Å²	163	61.2 Å²	61.2	72%	0.715	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-0.1	175.4	-57.7	-73.9	0	0	0	112.7	D44 H48	D44-F46 PolarHBondContact O-N 2.87Å; D44-F46 VanDerWaalsContact O-N 3.12Å; D44-F46 WeakPolarHBondContact OD1-CA 3.33Å; D44-F46 WeakPolarHBondContact OD1-CB 3.27Å; D44-F46 PolarHBondContact OD1-N 3.37Å; F46-H48 VanDerWaalsContact C-N 3.33Å
47	G	96.2	Very high	97.4	Very high	52 Å²	52	59.5 Å²	59.5	54%	0.536	34%	0.341	S	S	.	.	S	Bend	trans	81.3	9.3	-176.3	0	0	0	0	0	113.8	D44 H45	D44-G47 PolarHBondContact O-N 3.01Å; D44-G47 PolarHBondContact OD1-N 3.41Å; H45-G47 VanDerWaalsContact C-N 3.34Å
48	H	97.7	Very high	97.3	Very high	113 Å²	113	58.5 Å²	58.5	52%	0.523	34%	0.339	S	S	.	.			trans	-81	134.5	178.6	-57.9	131.7	0	0	0	111	V43 D44 F46 H50	V43-H48 WeakPolarHBondContact CA-O 3.47Å; D44-H48 PolarHBondContact N-O 3.28Å; D44-H48 IonicContact OD1-CG 3.4Å; D44-H48 PolarHBondContact OD1-N 3.18Å; D44-H48 IonicContact OD1-ND1 2.72Å; D44-H48 IonicContact OD2-ND1 2.72Å; F46-H48 VanDerWaalsContact C-N 3.33Å; H48-H50 PolarHBondContact O-CD2 2.91Å
49	P	97.9	Very high	97.2	Very high	106 Å²	106	60.8 Å²	60.8	69%	0.688	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	148.6	176.1	32.8	-35.1	0	0	0	111.4	T42	T42-P49 WeakPolarHBondContact O-CA 3.32Å
50	H	98.2	Very high	97.1	Very high	60 Å²	60	60.8 Å²	60.8	28%	0.278	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	114.4	-171.4	-86.3	-84.1	0	0	0	108.3	A41 T42 D44 H48 R52 Q77	A41-H50 CarbonylContact C-O 3.5Å; A41-H50 VanDerWaalsContact CA-O 3.26Å; A41-H50 WeakPolarHBondContact CA-O 3.33Å; T42-H50 PolarHBondContact N-O 2.78Å; T42-H50 WeakPolarHBondContact O-CB 3.44Å; T42-H50 PolarHBondContact O-N 3.05Å; D44-H50 IonicContact OD2-CD2 3.93Å; D44-H50 IonicContact OD2-CE1 2.7Å; D44-H50 IonicContact OD2-NE2 3.23Å; D44-H50 PolarHBondContact OD2-NE2 3.49Å; H48-H50 PolarHBondContact O-CD2 2.91Å; H50-R52 PolarHBondContact O-NH1 3.47Å; H50-R52 PolarHBondContact O-NH2 3.26Å; H50-Q77 PolarHBondContact CD2-NE2 2.79Å; H50-Q77 VanDerWaalsContact CD2-NE2 3.26Å
51	S	98	Very high	96.9	Very high	86 Å²	86	68.2 Å²	68.2	60%	0.601	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.6	148.2	179.1	60.9	0	0	0	0	113.4	L40	L40-S51 CarbonylContact O-C 3.53Å; L40-S51 VanDerWaalsContact O-CA 3.28Å; L40-S51 WeakPolarHBondContact O-CA 3.3Å
52	R	97.9	Very high	96.8	Very high	59 Å²	59	69 Å²	69	22%	0.223	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	152.9	176.3	58.6	-82.4	-4.5	-149.1	-12.9	110.5	T39 L40 T42 H50 L54 K74	T39-R52 CarbonylContact C-O 3.34Å; T39-R52 VanDerWaalsContact CA-O 3.27Å; T39-R52 WeakPolarHBondContact CA-O 3.26Å; L40-R52 HydrophobicContact CB-CG 4.46Å; L40-R52 PolarHBondContact N-O 2.75Å; L40-R52 PolarHBondContact O-N 2.86Å; T42-R52 PolarHBondContact OG1-NH1 2.58Å; H50-R52 PolarHBondContact O-NH1 3.47Å; H50-R52 PolarHBondContact O-NH2 3.26Å; R52-L54 HydrophobicContact CG-CD2 4.36Å; R52-L54 HydrophobicContact CG-CG 4.21Å; R52-K74 HydrophobicContact CG-CD 4.4Å
53	V	97.6	Very high	96.8	Very high	102 Å²	102	69 Å²	69	62%	0.618	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	136.3	169.2	-178.7	0	0	0	0	109.9	F38	F38-V53 CarbonylContact O-C 3.56Å; F38-V53 VanDerWaalsContact O-CA 3.28Å; F38-V53 WeakPolarHBondContact O-CA 3.33Å
54	L	96.2	Very high	96.8	Very high	25 Å²	25	66.9 Å²	66.9	13%	0.131	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	171.4	171.4	-66.3	-177	0	0	0	110	T37 F38 L40 R52 F66 K74	T37-L54 WeakPolarHBondContact CA-O 3.41Å; F38-L54 HydrophobicContact CD1-CB 4.49Å; F38-L54 HydrophobicContact CE1-CB 3.9Å; F38-L54 HydrophobicContact CE2-CB 4.09Å; F38-L54 HydrophobicContact CE2-CD1 4.38Å; F38-L54 HydrophobicContact CZ-CB 3.69Å; F38-L54 HydrophobicContact CZ-CD1 4.17Å; F38-L54 PolarHBondContact N-O 3.45Å; F38-L54 PolarHBondContact O-N 2.96Å; L40-L54 HydrophobicContact CB-CD1 3.78Å; L40-L54 HydrophobicContact CB-CG 4.26Å; L40-L54 HydrophobicContact CD2-CD1 3.52Å; L40-L54 HydrophobicContact CG-CD1 4.25Å; R52-L54 HydrophobicContact CG-CD2 4.36Å; R52-L54 HydrophobicContact CG-CG 4.21Å; L54-F66 HydrophobicContact CD1-CD2 3.9Å; L54-F66 HydrophobicContact CD1-CE2 4.19Å; L54-K74 HydrophobicContact CD1-CD 3.99Å; L54-K74 HydrophobicContact CD2-CD 4.3Å
55	A	94.9	Very high	96.8	Very high	42 Å²	42	66 Å²	66	35%	0.347	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	136.2	171.3	0	0	0	0	0	109.7	F36 F38	F36-A55 HydrophobicContact CD2-CB 3.67Å; F36-A55 HydrophobicContact CE2-CB 3.98Å; F38-A55 VanDerWaalsContact CE1-C 3.49Å
56	L	96.8	Very high	96.9	Very high	11 Å²	11	57.3 Å²	57.3	6%	0.058	33%	0.326	C	S	.	.			trans	-73.6	126.7	173	-172.1	69.4	0	0	0	108.6	F20 Y24 F36 F38 G58 Y59 F64 H65 F88	F20-L56 HydrophobicContact CE1-CD2 4.46Å; F20-L56 HydrophobicContact CZ-CD2 4.23Å; Y24-L56 HydrophobicContact CD2-CD2 4.49Å; Y24-L56 HydrophobicContact CE2-CD2 3.93Å; F36-L56 HydrophobicContact CB-CB 4.29Å; F36-L56 VanDerWaalsContact O-CB 3.3Å; F36-L56 WeakPolarHBondContact O-CB 3.43Å; F36-L56 PolarHBondContact O-N 3.19Å; F38-L56 HydrophobicContact CD1-CB 4.06Å; F38-L56 HydrophobicContact CE1-CB 4.08Å; F38-L56 HydrophobicContact CE1-CD1 4.29Å; L56-G58 WeakPolarHBondContact CD1-O 2.86Å; L56-Y59 HydrophobicContact CD2-CD1 3.74Å; L56-Y59 HydrophobicContact CD2-CE1 4.47Å; L56-F64 HydrophobicContact CD1-CB 3.96Å; L56-F64 HydrophobicContact CD1-CD1 4.17Å; L56-H65 WeakPolarHBondContact CD1-O 3.3Å; L56-F88 HydrophobicContact CB-CE1 4.41Å; L56-F88 HydrophobicContact CD1-CZ 4.2Å; L56-F88 HydrophobicContact CD2-CE1 4.07Å; L56-F88 HydrophobicContact CD2-CZ 4.01Å
57	S	95.4	Very high	96.9	Very high	40 Å²	40	51 Å²	51	28%	0.28	30%	0.301	S	S	.	.			trans	-86.6	-20.7	176.8	-55	0	0	0	0	112	H65 C67	S57-H65 PolarHBondContact N-O 2.88Å; S57-C67 PolarHBondContact OG-N 2.86Å; S57-C67 VanDerWaalsContact OG-N 3.13Å
58	G	95.6	Very high	96.9	Very high	21 Å²	21	49.1 Å²	49.1	22%	0.216	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.5	179.3	175.2	0	0	0	0	0	111.4	L56 H65	L56-G58 WeakPolarHBondContact CD1-O 2.86Å; G58-H65 PolarHBondContact N-O 2.73Å; G58-H65 WeakPolarHBondContact O-CA 3.27Å; G58-H65 WeakPolarHBondContact O-CB 3.24Å; G58-H65 PolarHBondContact O-N 3.19Å
59	Y	97.2	Very high	96.8	Very high	53 Å²	53	44.1 Å²	44.1	21%	0.208	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	157.7	174.4	61.7	-83.7	0	0	0	109.4	M17 F20 H21 Y24 L56 G63	M17-Y59 HydrophobicContact CE-CD2 4.09Å; F20-Y59 HydrophobicContact CD1-CD1 4.45Å; F20-Y59 AromaticContact CD1-CD2 3.78Å; F20-Y59 HydrophobicContact CD1-CD2 3.78Å; F20-Y59 HydrophobicContact CD1-CE1 4.44Å; F20-Y59 AromaticContact CD1-CE2 3.78Å; F20-Y59 HydrophobicContact CD1-CE2 3.78Å; F20-Y59 HydrophobicContact CD1-CG 4.12Å; F20-Y59 AromaticContact CE1-CD1 3.7Å; F20-Y59 HydrophobicContact CE1-CD1 3.7Å; F20-Y59 AromaticContact CE1-CD2 3.86Å; F20-Y59 HydrophobicContact CE1-CD2 3.86Å; F20-Y59 AromaticContact CE1-CE1 3.76Å; F20-Y59 HydrophobicContact CE1-CE1 3.76Å; F20-Y59 AromaticContact CE1-CE2 3.93Å; F20-Y59 HydrophobicContact CE1-CE2 3.93Å; F20-Y59 AromaticContact CE1-CG 3.73Å; F20-Y59 HydrophobicContact CE1-CG 3.73Å; F20-Y59 AromaticContact CE1-CZ 3.88Å; H21-Y59 HydrophobicContact CB-CE2 4.11Å; H21-Y59 AromaticContact ND1-CE2 3.92Å; H21-Y59 AromaticContact ND1-CZ 3.84Å; H21-Y59 PolarHBondContact ND1-OH 3.36Å; Y24-Y59 AromaticContact CD1-CE1 3.69Å; Y24-Y59 HydrophobicContact CD1-CE1 3.69Å; Y24-Y59 AromaticContact CD1-CZ 3.96Å; Y24-Y59 WeakPolarHBondContact CD1-OH 3.5Å; Y24-Y59 HydrophobicContact CD2-CE1 4.15Å; Y24-Y59 AromaticContact CE1-CE1 3.92Å; Y24-Y59 HydrophobicContact CE1-CE1 3.92Å; Y24-Y59 HydrophobicContact CE2-CE1 4.35Å; Y24-Y59 AromaticContact CG-CE1 3.81Å; Y24-Y59 HydrophobicContact CG-CE1 3.81Å; L56-Y59 HydrophobicContact CD2-CD1 3.74Å; L56-Y59 HydrophobicContact CD2-CE1 4.47Å; Y59-G63 WeakPolarHBondContact CA-O 3.33Å; Y59-G63 VanDerWaalsContact CB-O 3.29Å; Y59-G63 WeakPolarHBondContact CB-O 3.46Å
60	D	96.3	Very high	96.7	Very high	55 Å²	55	43.9 Å²	43.9	29%	0.294	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	-172.1	173.9	60.5	27.4	0	0	0	109.9	M17 S62 G63 H65	M17-D60 VanDerWaalsContact CE-O 3.28Å; M17-D60 WeakPolarHBondContact CE-O 3.23Å; D60-S62 PolarHBondContact O-N 2.88Å; D60-S62 WeakPolarHBondContact OD1-CA 3.47Å; D60-S62 VanDerWaalsContact OD1-CB 3.23Å; D60-S62 WeakPolarHBondContact OD1-CB 3.23Å; D60-S62 PolarHBondContact OD1-N 2.71Å; D60-S62 PolarHBondContact OD1-OG 2.81Å; D60-G63 PolarHBondContact N-O 3.08Å; D60-G63 PolarHBondContact O-N 3.19Å; D60-H65 IonicContact OD1-CE1 2.98Å; D60-H65 IonicContact OD2-CE1 2.77Å; D60-H65 PolarHBondContact OD2-CE1 3.23Å; D60-H65 VanDerWaalsContact OD2-CE1 3.28Å
61	E	94.8	Very high	96.4	Very high	156 Å²	156	45.3 Å²	45.3	73%	0.729	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-25.1	176.8	12.4	-83.9	-176.1	0	0	114
62	S	95.8	Very high	96.3	Very high	50 Å²	50	41.2 Å²	41.2	35%	0.35	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-22	-178.8	80.7	0	0	0	0	113.7	D60 L171 P174	D60-S62 PolarHBondContact O-N 2.88Å; D60-S62 WeakPolarHBondContact OD1-CA 3.47Å; D60-S62 VanDerWaalsContact OD1-CB 3.23Å; D60-S62 WeakPolarHBondContact OD1-CB 3.23Å; D60-S62 PolarHBondContact OD1-N 2.71Å; D60-S62 PolarHBondContact OD1-OG 2.81Å; S62-L171 WeakPolarHBondContact OG-CD1 3.41Å; S62-L171 WeakPolarHBondContact OG-CD2 3.49Å; S62-P174 WeakPolarHBondContact O-CD 3.38Å
63	G	98.1	Very high	96.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	141.2	-143.2	178.6	0	0	0	0	0	114.2	Y59 D60 L172	Y59-G63 WeakPolarHBondContact CA-O 3.33Å; Y59-G63 VanDerWaalsContact CB-O 3.29Å; Y59-G63 WeakPolarHBondContact CB-O 3.46Å; D60-G63 PolarHBondContact N-O 3.08Å; D60-G63 PolarHBondContact O-N 3.19Å; G63-L172 WeakPolarHBondContact CA-O 3.35Å
64	F	98.7	Very high	96.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125.2	-166.6	-56.8	-90.1	0	0	0	111.8	M17 F20 L56 M86 F88 V99 L171 L172 P174	M17-F64 HydrophobicContact CE-CD1 4.35Å; M17-F64 HydrophobicContact CE-CD2 4.44Å; M17-F64 HydrophobicContact CE-CE1 3.82Å; M17-F64 HydrophobicContact CE-CE2 3.91Å; M17-F64 HydrophobicContact CE-CZ 3.57Å; M17-F64 HydrophobicContact SD-CE1 4.43Å; M17-F64 HydrophobicContact SD-CE2 3.66Å; M17-F64 HydrophobicContact SD-CZ 3.6Å; M17-F64 VanDerWaalsContact SD-CZ 3.6Å; F20-F64 AromaticContact CD1-CE1 3.76Å; F20-F64 HydrophobicContact CD1-CE1 3.76Å; F20-F64 HydrophobicContact CD1-CZ 4.37Å; F20-F64 AromaticContact CD2-CE1 3.76Å; F20-F64 HydrophobicContact CD2-CE1 3.76Å; F20-F64 HydrophobicContact CD2-CZ 4.07Å; F20-F64 HydrophobicContact CE1-CD1 4.28Å; F20-F64 AromaticContact CE1-CE1 3.62Å; F20-F64 HydrophobicContact CE1-CE1 3.62Å; F20-F64 AromaticContact CE2-CE1 3.6Å; F20-F64 HydrophobicContact CE2-CE1 3.6Å; F20-F64 HydrophobicContact CE2-CZ 4.31Å; F20-F64 AromaticContact CG-CE1 3.83Å; F20-F64 HydrophobicContact CG-CE1 3.83Å; F20-F64 HydrophobicContact CG-CZ 4.1Å; F20-F64 HydrophobicContact CZ-CD1 4.18Å; F20-F64 AromaticContact CZ-CE1 3.54Å; F20-F64 HydrophobicContact CZ-CE1 3.54Å; L56-F64 HydrophobicContact CD1-CB 3.96Å; L56-F64 HydrophobicContact CD1-CD1 4.17Å; F64-M86 HydrophobicContact CB-CE 4.06Å; F64-M86 HydrophobicContact CB-SD 3.62Å; F64-M86 HydrophobicContact CD2-SD 4.39Å; F64-M86 HydrophobicContact CG-SD 4Å; F64-F88 HydrophobicContact CD1-CE2 4.26Å; F64-F88 HydrophobicContact CD1-CZ 4.25Å; F64-F88 HydrophobicContact CE1-CE2 4.2Å; F64-F88 HydrophobicContact CE1-CZ 4.48Å; F64-V99 HydrophobicContact CD2-CG1 4.07Å; F64-V99 HydrophobicContact CD2-CG2 4.32Å; F64-V99 HydrophobicContact CE1-CG2 4.48Å; F64-V99 HydrophobicContact CE2-CB 4.22Å; F64-V99 HydrophobicContact CE2-CG1 3.69Å; F64-V99 HydrophobicContact CE2-CG2 3.61Å; F64-V99 HydrophobicContact CZ-CG2 3.7Å; F64-L171 CarbonylContact O-C 3.6Å; F64-L171 WeakPolarHBondContact O-CA 3.15Å; F64-L172 HydrophobicContact CB-CB 4.47Å; F64-L172 HydrophobicContact CD2-CD2 4.35Å; F64-L172 PolarHBondContact N-O 3.48Å; F64-L172 PolarHBondContact O-N 3.01Å; F64-P174 HydrophobicContact CE2-CB 4.45Å
65	H	98.2	Very high	96.1	Very high	10 Å²	10	36.2 Å²	36.2	5%	0.046	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	132.3	178.5	-59.2	121.1	0	0	0	111.7	L56 S57 G58 D60 L106 L114 Y170	L56-H65 WeakPolarHBondContact CD1-O 3.3Å; S57-H65 PolarHBondContact N-O 2.88Å; G58-H65 PolarHBondContact N-O 2.73Å; G58-H65 WeakPolarHBondContact O-CA 3.27Å; G58-H65 WeakPolarHBondContact O-CB 3.24Å; G58-H65 PolarHBondContact O-N 3.19Å; D60-H65 IonicContact OD1-CE1 2.98Å; D60-H65 IonicContact OD2-CE1 2.77Å; D60-H65 PolarHBondContact OD2-CE1 3.23Å; D60-H65 VanDerWaalsContact OD2-CE1 3.28Å; H65-L106 HydrophobicContact CB-CD1 4.45Å; H65-L114 HydrophobicContact CB-CD1 4.03Å; H65-Y170 WeakPolarHBondContact CA-O 3.23Å
66	F	97.7	Very high	96.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	140.6	170.6	64.9	-79.1	0	0	0	111.2	F38 L40 L54 L78 M86 V103 G169 Y170 L172	F38-F66 HydrophobicContact CE1-CB 4.22Å; F38-F66 HydrophobicContact CZ-CB 3.87Å; F38-F66 HydrophobicContact CZ-CD1 4.34Å; F38-F66 AromaticContact CZ-CG 3.99Å; F38-F66 HydrophobicContact CZ-CG 3.99Å; L40-F66 HydrophobicContact CD1-CZ 4.22Å; L40-F66 HydrophobicContact CD2-CE2 3.96Å; L40-F66 HydrophobicContact CD2-CZ 4.21Å; L54-F66 HydrophobicContact CD1-CD2 3.9Å; L54-F66 HydrophobicContact CD1-CE2 4.19Å; F66-L78 HydrophobicContact CE2-CD1 4.2Å; F66-L78 HydrophobicContact CZ-CD1 3.94Å; F66-M86 HydrophobicContact CD1-CE 3.16Å; F66-M86 HydrophobicContact CE1-CE 3.15Å; F66-M86 HydrophobicContact CG-CE 4.18Å; F66-M86 HydrophobicContact CZ-CE 4.17Å; F66-V103 HydrophobicContact CZ-CG1 4.45Å; F66-G169 WeakPolarHBondContact O-CA 3.33Å; F66-Y170 HydrophobicContact CD2-CD2 4.41Å; F66-Y170 VanDerWaalsContact CE1-CB 3.49Å; F66-Y170 HydrophobicContact CE1-CG 4.42Å; F66-Y170 AromaticContact CE2-CD2 3.71Å; F66-Y170 HydrophobicContact CE2-CD2 3.71Å; F66-Y170 HydrophobicContact CE2-CG 4.16Å; F66-Y170 VanDerWaalsContact CZ-CB 3.43Å; F66-Y170 AromaticContact CZ-CD2 3.92Å; F66-Y170 HydrophobicContact CZ-CD2 3.92Å; F66-Y170 AromaticContact CZ-CG 3.88Å; F66-Y170 HydrophobicContact CZ-CG 3.88Å; F66-Y170 PolarHBondContact N-O 3.36Å; F66-Y170 PolarHBondContact O-N 2.96Å; F66-L172 HydrophobicContact CE1-CB 4.47Å
67	C	96.8	Very high	96.2	Very high	29 Å²	29	38.8 Å²	38.8	20%	0.196	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	148.9	173	-67.2	0	0	0	0	111.2	S57 V167 I168	S57-C67 PolarHBondContact OG-N 2.86Å; S57-C67 VanDerWaalsContact OG-N 3.13Å; C67-V167 HydrophobicContact CB-CG1 4.13Å; C67-I168 CarbonylContact C-O 3.55Å; C67-I168 WeakPolarHBondContact CA-O 3.26Å
68	T	95.7	Very high	96.3	Very high	13 Å²	13	36.9 Å²	36.9	8%	0.08	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	-178.5	174.8	-157.3	0	0	0	0	111.2	K74 V167 I168 Y170	T68-K74 HydrophobicContact CG2-CD 4.35Å; T68-K74 HydrophobicContact CG2-CG 4.3Å; T68-K74 PolarHBondContact OG1-NZ 2.98Å; T68-K74 VanDerWaalsContact OG1-NZ 3.09Å; T68-V167 WeakPolarHBondContact O-CA 3.46Å; T68-I168 HydrophobicContact CG2-CG2 3.89Å; T68-I168 PolarHBondContact N-O 3.29Å; T68-I168 PolarHBondContact O-N 2.98Å; T68-Y170 HydrophobicContact CG2-CD2 4.34Å; T68-Y170 HydrophobicContact CG2-CE2 3.93Å
69	N	95.1	Very high	96.3	Very high	9 Å²	9	40.2 Å²	40.2	5%	0.048	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	126.7	174.7	-169.2	-46.1	0	0	0	110.5	N71 S72 F130 S131 Q133 H166	N69-N71 PolarHBondContact O-N 2.97Å; N69-N71 VanDerWaalsContact OD1-CB 3.28Å; N69-N71 WeakPolarHBondContact OD1-CB 3.42Å; N69-N71 PolarHBondContact OD1-N 2.82Å; N69-N71 PolarHBondContact OD1-ND2 2.89Å; N69-S72 VanDerWaalsContact O-CB 3.28Å; N69-S72 WeakPolarHBondContact O-CB 3.28Å; N69-S72 PolarHBondContact O-N 2.8Å; N69-S72 PolarHBondContact O-OG 2.85Å; N69-F130 PolarHBondContact ND2-O 3.39Å; N69-S131 PolarHBondContact ND2-O 3.17Å; N69-S131 PolarHBondContact OD1-O 3.18Å; N69-Q133 HydrophobicContact CB-CB 3.91Å; N69-H166 CarbonylContact C-O 3.59Å; N69-H166 WeakPolarHBondContact CA-O 3.34Å; N69-H166 PolarHBondContact ND2-CD2 3.07Å
70	K	95.4	Very high	96.3	Very high	100 Å²	100	41 Å²	41	44%	0.435	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-26.3	178.8	77.2	-178.1	178.5	-167.9	0	113.6	S72 A75 D165 H166 I168	K70-S72 VanDerWaalsContact C-N 3.27Å; K70-S72 PolarHBondContact O-N 2.79Å; K70-A75 WeakPolarHBondContact O-CB 3.34Å; K70-D165 WeakPolarHBondContact CD-O 3.38Å; K70-D165 WeakPolarHBondContact CE-O 3.46Å; K70-D165 PolarHBondContact NZ-O 3.07Å; K70-H166 HydrophobicContact CD-CB 4.4Å; K70-H166 HydrophobicContact CG-CB 4.18Å; K70-H166 PolarHBondContact N-O 2.85Å; K70-I168 HydrophobicContact CB-CB 4.12Å; K70-I168 HydrophobicContact CB-CG2 3.92Å
71	N	92.8	Very high	96.4	Very high	90 Å²	90	40.8 Å²	40.8	48%	0.481	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-0.4	179.7	-54.2	-40.6	0	0	0	112.6	N69 S131	N69-N71 PolarHBondContact O-N 2.97Å; N69-N71 VanDerWaalsContact OD1-CB 3.28Å; N69-N71 WeakPolarHBondContact OD1-CB 3.42Å; N69-N71 PolarHBondContact OD1-N 2.82Å; N69-N71 PolarHBondContact OD1-ND2 2.89Å; N71-S131 PolarHBondContact ND2-O 2.77Å
72	S	94.6	Very high	96.5	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.007	24%	0.236	C	C	.	.	S	Bend	trans	-81.8	153.9	-176.3	72.4	0	0	0	0	112.3	N69 K70 K74 A75 S76	N69-S72 VanDerWaalsContact O-CB 3.28Å; N69-S72 WeakPolarHBondContact O-CB 3.28Å; N69-S72 PolarHBondContact O-N 2.8Å; N69-S72 PolarHBondContact O-OG 2.85Å; K70-S72 VanDerWaalsContact C-N 3.27Å; K70-S72 PolarHBondContact O-N 2.79Å; S72-K74 PolarHBondContact O-N 2.87Å; S72-K74 VanDerWaalsContact O-N 3.15Å; S72-K74 WeakPolarHBondContact OG-CG 3.37Å; S72-K74 PolarHBondContact OG-NZ 2.86Å; S72-A75 PolarHBondContact O-N 3.02Å; S72-S76 PolarHBondContact O-N 2.68Å
73	P	94.9	Very high	96.6	Very high	64 Å²	64	41 Å²	41	42%	0.416	24%	0.243	S	C	.	.	H	α-helix	trans	-53	-38.8	177	-29.1	35.2	0	0	0	113.3	A75 S76 Q77 S134	P73-A75 VanDerWaalsContact C-N 3.34Å; P73-A75 PolarHBondContact O-N 2.83Å; P73-S76 PolarHBondContact O-N 2.97Å; P73-Q77 WeakPolarHBondContact O-CB 3.36Å; P73-Q77 WeakPolarHBondContact O-CG 3.27Å; P73-Q77 PolarHBondContact O-N 3.22Å; P73-S134 WeakPolarHBondContact CD-OG 3.44Å
74	K	96.6	Very high	96.7	Very high	12 Å²	12	41.4 Å²	41.4	5%	0.052	25%	0.247	C	C	.	.	H	α-helix	trans	-65.8	-34.4	179.7	84.5	-166.5	76.9	67.7	0	112.9	L40 R52 L54 T68 S72 Q77 L78	L40-K74 HydrophobicContact CD2-CD 4.08Å; R52-K74 HydrophobicContact CG-CD 4.4Å; L54-K74 HydrophobicContact CD1-CD 3.99Å; L54-K74 HydrophobicContact CD2-CD 4.3Å; T68-K74 HydrophobicContact CG2-CD 4.35Å; T68-K74 HydrophobicContact CG2-CG 4.3Å; T68-K74 PolarHBondContact OG1-NZ 2.98Å; T68-K74 VanDerWaalsContact OG1-NZ 3.09Å; S72-K74 PolarHBondContact O-N 2.87Å; S72-K74 VanDerWaalsContact O-N 3.15Å; S72-K74 WeakPolarHBondContact OG-CG 3.37Å; S72-K74 PolarHBondContact OG-NZ 2.86Å; K74-Q77 PolarHBondContact O-N 3.17Å; K74-L78 WeakPolarHBondContact O-CB 3.47Å; K74-L78 VanDerWaalsContact O-CG 3.22Å; K74-L78 WeakPolarHBondContact O-CG 3.16Å; K74-L78 PolarHBondContact O-N 3.26Å
75	A	96.6	Very high	96.7	Very high	5 Å²	5	42.7 Å²	42.7	4%	0.041	26%	0.256	C	S	.	.	H	α-helix	trans	-69.5	-42.4	177.3	0	0	0	0	0	111	K70 S72 P73 Q77 L78 S79	K70-A75 WeakPolarHBondContact O-CB 3.34Å; S72-A75 PolarHBondContact O-N 3.02Å; P73-A75 VanDerWaalsContact C-N 3.34Å; P73-A75 PolarHBondContact O-N 2.83Å; A75-Q77 VanDerWaalsContact C-N 3.34Å; A75-Q77 PolarHBondContact O-N 2.83Å; A75-L78 PolarHBondContact O-N 3.05Å; A75-S79 PolarHBondContact O-N 3.18Å
76	S	96.2	Very high	96.7	Very high	88 Å²	88	42.2 Å²	42.2	62%	0.615	25%	0.253	S	S	*	.	H	α-helix	trans	-59.6	-44	172.1	178.8	0	0	0	0	111.8	S72 P73 S79 G80	S72-S76 PolarHBondContact O-N 2.68Å; P73-S76 PolarHBondContact O-N 2.97Å; S76-S79 PolarHBondContact O-N 3.12Å; S76-G80 PolarHBondContact O-N 3.13Å
77	Q	97.8	Very high	96.7	Very high	18 Å²	18	43.7 Å²	43.7	8%	0.084	26%	0.263	C	S	.	.	H	α-helix	trans	-60.5	-48.9	175.3	-69.7	165.3	-5.8	0	0	111.8	T42 D44 H50 P73 K74 A75 S79 G80 N81	T42-Q77 PolarHBondContact OG1-OE1 2.84Å; D44-Q77 HydrophobicContact CB-CG 4.01Å; H50-Q77 PolarHBondContact CD2-NE2 2.79Å; H50-Q77 VanDerWaalsContact CD2-NE2 3.26Å; P73-Q77 WeakPolarHBondContact O-CB 3.36Å; P73-Q77 WeakPolarHBondContact O-CG 3.27Å; P73-Q77 PolarHBondContact O-N 3.22Å; K74-Q77 PolarHBondContact O-N 3.17Å; A75-Q77 VanDerWaalsContact C-N 3.34Å; A75-Q77 PolarHBondContact O-N 2.83Å; Q77-S79 VanDerWaalsContact C-N 3.25Å; Q77-S79 PolarHBondContact O-N 2.9Å; Q77-G80 PolarHBondContact O-N 2.91Å; Q77-G80 VanDerWaalsContact O-N 3.13Å; Q77-N81 PolarHBondContact O-N 2.96Å
78	L	98	Very high	96.8	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-65	-26.3	179.4	-72.5	178.9	0	0	0	113.6	T42 F66 K74 A75 N81 H82 A84 V103 Y170	T42-L78 HydrophobicContact CG2-CD1 4.45Å; T42-L78 HydrophobicContact CG2-CD2 3.48Å; T42-L78 VanDerWaalsContact CG2-CD2 3.48Å; T42-L78 HydrophobicContact CG2-CG 3.84Å; F66-L78 HydrophobicContact CE2-CD1 4.2Å; F66-L78 HydrophobicContact CZ-CD1 3.94Å; K74-L78 WeakPolarHBondContact O-CB 3.47Å; K74-L78 VanDerWaalsContact O-CG 3.22Å; K74-L78 WeakPolarHBondContact O-CG 3.16Å; K74-L78 PolarHBondContact O-N 3.26Å; A75-L78 PolarHBondContact O-N 3.05Å; L78-N81 WeakPolarHBondContact CA-O 3.28Å; L78-N81 CarbonylContact O-C 3.58Å; L78-H82 PolarHBondContact O-CD2 3.3Å; L78-A84 HydrophobicContact CD2-CB 3.95Å; L78-V103 HydrophobicContact CB-CG2 4.06Å; L78-V103 HydrophobicContact CD1-CG1 4.48Å; L78-V103 HydrophobicContact CD1-CG2 4.33Å; L78-V103 HydrophobicContact CD2-CB 4.43Å; L78-V103 HydrophobicContact CD2-CG1 3.92Å; L78-V103 HydrophobicContact CD2-CG2 3.68Å; L78-V103 HydrophobicContact CG-CG2 4.2Å; L78-Y170 HydrophobicContact CB-CE1 4.04Å; L78-Y170 HydrophobicContact CD1-CD1 4.17Å; L78-Y170 HydrophobicContact CD1-CD2 3.99Å; L78-Y170 HydrophobicContact CD1-CE1 4.06Å; L78-Y170 HydrophobicContact CD1-CE2 3.89Å; L78-Y170 HydrophobicContact CD1-CG 4.13Å
79	S	96	Very high	96.9	Very high	90 Å²	90	47 Å²	47	63%	0.629	27%	0.271	S	S	*	.	H	α-helix	trans	-75.2	-31	173.7	175.6	0	0	0	0	112.9	A75 S76 Q77	A75-S79 PolarHBondContact O-N 3.18Å; S76-S79 PolarHBondContact O-N 3.12Å; Q77-S79 VanDerWaalsContact C-N 3.25Å; Q77-S79 PolarHBondContact O-N 2.9Å
80	G	96.1	Very high	97	Very high	71 Å²	71	46.6 Å²	46.6	73%	0.732	27%	0.269	S	S	*	.	H	α-helix	trans	-89	-28.5	177.5	0	0	0	0	0	113.8	S76 Q77	S76-G80 PolarHBondContact O-N 3.13Å; Q77-G80 PolarHBondContact O-N 2.91Å; Q77-G80 VanDerWaalsContact O-N 3.13Å
81	N	97.8	Very high	97	Very high	49 Å²	49	45.5 Å²	45.5	26%	0.262	27%	0.27	S	S	.	.			trans	-141.8	111	178.9	-177.7	-11.5	0	0	0	109.5	Q77 L78 H83	Q77-N81 PolarHBondContact O-N 2.96Å; L78-N81 WeakPolarHBondContact CA-O 3.28Å; L78-N81 CarbonylContact O-C 3.58Å; N81-H83 PolarHBondContact O-N 2.83Å; N81-H83 WeakPolarHBondContact OD1-CB 3.35Å; N81-H83 PolarHBondContact OD1-CD2 2.76Å; N81-H83 VanDerWaalsContact OD1-CD2 3.23Å; N81-H83 PolarHBondContact OD1-N 2.83Å
82	H	97.9	Very high	97.1	Very high	101 Å²	101	44.7 Å²	44.7	47%	0.468	27%	0.27	S	S	.	.			trans	-78.8	-4.6	-174.8	-57.4	-180	0	0	0	113.1	L78 I102 V103	L78-H82 PolarHBondContact O-CD2 3.3Å; H82-I102 HydrophobicContact CB-CG2 3.88Å; H82-I102 CarbonylContact O-C 3.52Å; H82-I102 WeakPolarHBondContact O-CA 3.38Å; H82-V103 HydrophobicContact CB-CG2 4.29Å; H82-V103 WeakPolarHBondContact O-CG2 3.47Å; H82-V103 PolarHBondContact O-N 3.11Å
83	H	98.4	Very high	97.1	Very high	109 Å²	109	46.3 Å²	46.3	51%	0.505	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	131.2	176.5	-64.9	-84.1	0	0	0	110.9	N81 I102	N81-H83 PolarHBondContact O-N 2.83Å; N81-H83 WeakPolarHBondContact OD1-CB 3.35Å; N81-H83 PolarHBondContact OD1-CD2 2.76Å; N81-H83 VanDerWaalsContact OD1-CD2 3.23Å; N81-H83 PolarHBondContact OD1-N 2.83Å; H83-I102 WeakPolarHBondContact CE1-CD1 3.42Å; H83-I102 WeakPolarHBondContact ND1-CD1 3.34Å
84	A	98.6	Very high	97.2	Very high	9 Å²	9	47.4 Å²	47.4	7%	0.074	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	159.2	175.6	0	0	0	0	0	111.7	L40 A41 L78 G101 V103 L172	L40-A84 HydrophobicContact CD1-CB 4.12Å; A41-A84 WeakPolarHBondContact O-CA 3.5Å; L78-A84 HydrophobicContact CD2-CB 3.95Å; A84-G101 PolarHBondContact N-O 2.64Å; A84-G101 VanDerWaalsContact N-O 3.08Å; A84-G101 PolarHBondContact O-N 3.05Å; A84-V103 HydrophobicContact CB-CG1 3.71Å; A84-L172 HydrophobicContact CB-CD1 3.86Å
85	S	98.7	Very high	97.2	Very high	27 Å²	27	48.5 Å²	48.5	19%	0.189	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	137.6	170.4	-170	0	0	0	0	110.4	L40 A41 V99 N100	L40-S85 CarbonylContact C-O 3.48Å; L40-S85 WeakPolarHBondContact CA-O 3.39Å; A41-S85 PolarHBondContact N-O 2.83Å; A41-S85 PolarHBondContact O-N 3.34Å; S85-V99 CarbonylContact C-O 3.6Å; S85-V99 VanDerWaalsContact CA-O 3.23Å; S85-V99 WeakPolarHBondContact CA-O 3.41Å; S85-V99 PolarHBondContact OG-O 2.88Å; S85-N100 VanDerWaalsContact CB-OD1 3.3Å; S85-N100 WeakPolarHBondContact CB-OD1 3.29Å; S85-N100 PolarHBondContact OG-OD1 2.95Å
86	M	98.7	Very high	97.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	134.5	169.7	-68.7	173.9	177.4	0	0	109.7	F38 T39 L40 F64 F66 F88 R98 V99 L172	F38-M86 HydrophobicContact CD2-CB 3.96Å; F38-M86 HydrophobicContact CD2-CG 3.71Å; F38-M86 HydrophobicContact CD2-SD 4.37Å; F38-M86 HydrophobicContact CE2-CB 4.36Å; F38-M86 HydrophobicContact CE2-CE 3.92Å; F38-M86 HydrophobicContact CE2-CG 3.6Å; F38-M86 HydrophobicContact CE2-SD 4.04Å; F38-M86 HydrophobicContact CZ-CE 4.02Å; F38-M86 HydrophobicContact CZ-SD 4.42Å; T39-M86 CarbonylContact O-C 3.52Å; T39-M86 WeakPolarHBondContact O-CA 3.42Å; L40-M86 HydrophobicContact CD1-CE 4.36Å; L40-M86 HydrophobicContact CD1-CG 4.1Å; F64-M86 HydrophobicContact CB-CE 4.06Å; F64-M86 HydrophobicContact CB-SD 3.62Å; F64-M86 HydrophobicContact CD2-SD 4.39Å; F64-M86 HydrophobicContact CG-SD 4Å; F66-M86 HydrophobicContact CD1-CE 3.16Å; F66-M86 HydrophobicContact CE1-CE 3.15Å; F66-M86 HydrophobicContact CG-CE 4.18Å; F66-M86 HydrophobicContact CZ-CE 4.17Å; M86-F88 HydrophobicContact CB-CE2 4.36Å; M86-R98 CarbonylContact O-C 3.53Å; M86-R98 WeakPolarHBondContact O-CA 3.49Å; M86-V99 HydrophobicContact CB-CB 4.22Å; M86-V99 PolarHBondContact N-O 3.43Å; M86-V99 PolarHBondContact O-N 2.79Å; M86-L172 HydrophobicContact CE-CB 3.46Å; M86-L172 VanDerWaalsContact CE-CB 3.46Å; M86-L172 HydrophobicContact CE-CD1 3.69Å; M86-L172 HydrophobicContact CE-CG 4.18Å; M86-L172 HydrophobicContact CG-CD1 3.74Å; M86-L172 HydrophobicContact SD-CB 4.05Å; M86-L172 HydrophobicContact SD-CD1 3.83Å; M86-L172 HydrophobicContact SD-CG 4.38Å
87	C	98.8	Very high	97.4	Very high	31 Å²	31	45.7 Å²	45.7	21%	0.209	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	114.1	175.7	-173.3	0	0	0	0	110.4	F38 T39 V97	F38-C87 CarbonylContact C-O 3.58Å; F38-C87 WeakPolarHBondContact CA-O 3.29Å; T39-C87 PolarHBondContact N-O 2.98Å; T39-C87 PolarHBondContact O-N 2.8Å; C87-V97 WeakPolarHBondContact CA-O 3.2Å
88	F	98.7	Very high	97.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	132.7	169.1	-62.4	-94.5	0	0	0	108.5	F20 F38 L56 F64 M86 W90 Q96 V97	F20-F88 HydrophobicContact CE2-CD1 4.47Å; F20-F88 AromaticContact CE2-CD2 3.86Å; F20-F88 HydrophobicContact CE2-CD2 3.86Å; F20-F88 HydrophobicContact CE2-CE1 4.38Å; F20-F88 AromaticContact CE2-CE2 3.76Å; F20-F88 HydrophobicContact CE2-CE2 3.76Å; F20-F88 HydrophobicContact CE2-CG 4.22Å; F20-F88 HydrophobicContact CE2-CZ 4.04Å; F20-F88 HydrophobicContact CZ-CE1 4.14Å; F20-F88 HydrophobicContact CZ-CE2 4.09Å; F20-F88 AromaticContact CZ-CZ 3.89Å; F20-F88 HydrophobicContact CZ-CZ 3.89Å; F38-F88 HydrophobicContact CB-CD1 3.7Å; F38-F88 HydrophobicContact CB-CD2 4.28Å; F38-F88 HydrophobicContact CB-CE1 3.6Å; F38-F88 HydrophobicContact CB-CE2 4.18Å; F38-F88 HydrophobicContact CB-CG 4.05Å; F38-F88 HydrophobicContact CB-CZ 3.84Å; F38-F88 HydrophobicContact CD1-CE1 4.12Å; F38-F88 HydrophobicContact CD1-CZ 4.16Å; F38-F88 HydrophobicContact CG-CE1 4.16Å; F38-F88 HydrophobicContact CG-CZ 4.1Å; L56-F88 HydrophobicContact CB-CE1 4.41Å; L56-F88 HydrophobicContact CD1-CZ 4.2Å; L56-F88 HydrophobicContact CD2-CE1 4.07Å; L56-F88 HydrophobicContact CD2-CZ 4.01Å; F64-F88 HydrophobicContact CD1-CE2 4.26Å; F64-F88 HydrophobicContact CD1-CZ 4.25Å; F64-F88 HydrophobicContact CE1-CE2 4.2Å; F64-F88 HydrophobicContact CE1-CZ 4.48Å; M86-F88 HydrophobicContact CB-CE2 4.36Å; F88-W90 HydrophobicContact CB-CD2 4.49Å; F88-W90 HydrophobicContact CB-CH2 4.37Å; F88-W90 HydrophobicContact CB-CZ2 3.9Å; F88-W90 AromaticContact CD1-CZ2 3.77Å; F88-W90 HydrophobicContact CD1-CZ2 3.77Å; F88-W90 AromaticContact CG-CZ2 3.98Å; F88-W90 HydrophobicContact CG-CZ2 3.98Å; F88-Q96 CarbonylContact O-C 3.46Å; F88-Q96 WeakPolarHBondContact O-CA 3.49Å; F88-Q96 VanDerWaalsContact O-CG 3.25Å; F88-Q96 WeakPolarHBondContact O-CG 3.18Å; F88-V97 HydrophobicContact CB-CB 4.36Å; F88-V97 HydrophobicContact CD2-CB 4.31Å; F88-V97 PolarHBondContact N-O 3.01Å; F88-V97 PolarHBondContact O-N 2.84Å
89	Y	97.9	Very high	97.5	Very high	111 Å²	111	49.3 Å²	49.3	44%	0.435	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	106.6	170.5	179.8	-133	0	0	0	110.6	V91 Q96 Y182	Y89-V91 HydrophobicContact CD1-CG2 3.82Å; Y89-V91 HydrophobicContact CE1-CG2 3.43Å; Y89-V91 VanDerWaalsContact CE1-CG2 3.43Å; Y89-V91 PolarHBondContact O-N 3.36Å; Y89-Q96 HydrophobicContact CD2-CB 4.13Å; Y89-Y182 HydrophobicContact CD2-CE2 4.36Å; Y89-Y182 HydrophobicContact CE2-CD2 4.13Å; Y89-Y182 AromaticContact CE2-CE2 3.95Å; Y89-Y182 HydrophobicContact CE2-CE2 3.95Å
90	W	97.4	Very high	97.6	Very high	1 Å²	1	48 Å²	48	0%	0.004	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	85.1	-177.1	-56.5	-48.2	0	0	0	109.8	F20 W23 Y24 A27 C35 F88 P92 I93 R94 K95 V97	F20-W90 HydrophobicContact CD2-CH2 4.24Å; F20-W90 AromaticContact CE2-CH2 3.72Å; F20-W90 HydrophobicContact CE2-CH2 3.72Å; F20-W90 HydrophobicContact CE2-CZ2 4.13Å; F20-W90 HydrophobicContact CZ-CH2 4.22Å; F20-W90 HydrophobicContact CZ-CZ2 4.34Å; W23-W90 HydrophobicContact CB-CE3 4.36Å; W23-W90 HydrophobicContact CB-CH2 4.24Å; W23-W90 HydrophobicContact CB-CZ3 3.53Å; W23-W90 HydrophobicContact CE3-CZ3 4.24Å; Y24-W90 HydrophobicContact CD2-CH2 4.37Å; Y24-W90 AromaticContact CD2-CZ2 3.85Å; Y24-W90 HydrophobicContact CD2-CZ2 3.85Å; A27-W90 HydrophobicContact CB-CB 4.09Å; A27-W90 HydrophobicContact CB-CD2 3.4Å; A27-W90 HydrophobicContact CB-CE3 3.9Å; A27-W90 HydrophobicContact CB-CG 3.52Å; A27-W90 HydrophobicContact CB-CZ2 4.23Å; A27-W90 HydrophobicContact CB-CZ3 4.49Å; C35-W90 PolarHBondContact O-NE1 3.34Å; F88-W90 HydrophobicContact CB-CD2 4.49Å; F88-W90 HydrophobicContact CB-CH2 4.37Å; F88-W90 HydrophobicContact CB-CZ2 3.9Å; F88-W90 AromaticContact CD1-CZ2 3.77Å; F88-W90 HydrophobicContact CD1-CZ2 3.77Å; F88-W90 AromaticContact CG-CZ2 3.98Å; F88-W90 HydrophobicContact CG-CZ2 3.98Å; W90-P92 VanDerWaalsContact C-CD 3.44Å; W90-P92 VanDerWaalsContact C-N 3.33Å; W90-I93 HydrophobicContact CB-CD1 3.95Å; W90-I93 HydrophobicContact CB-CG1 3.63Å; W90-I93 HydrophobicContact CD2-CD1 4.41Å; W90-I93 HydrophobicContact CE3-CD1 3.98Å; W90-I93 HydrophobicContact CG-CD1 4.48Å; W90-I93 CarbonylContact O-C 3.55Å; W90-I93 WeakPolarHBondContact O-CG1 3.2Å; W90-I93 PolarHBondContact O-N 3.09Å; W90-I93 VanDerWaalsContact O-N 3.17Å; W90-R94 PolarHBondContact O-N 2.85Å; W90-K95 HydrophobicContact CE3-CB 4.22Å; W90-K95 PolarHBondContact N-O 2.88Å; W90-K95 PolarHBondContact O-N 3.32Å; W90-V97 HydrophobicContact CH2-CG2 4.19Å; W90-V97 HydrophobicContact CZ3-CG2 3.86Å
91	V	94.7	Very high	97.7	Very high	77 Å²	77	44.8 Å²	44.8	47%	0.467	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-46.7	-47.7	-177.2	179.7	0	0	0	0	113	Y89 I93 R94	Y89-V91 HydrophobicContact CD1-CG2 3.82Å; Y89-V91 HydrophobicContact CE1-CG2 3.43Å; Y89-V91 VanDerWaalsContact CE1-CG2 3.43Å; Y89-V91 PolarHBondContact O-N 3.36Å; V91-I93 PolarHBondContact O-N 3.3Å; V91-R94 PolarHBondContact O-N 2.86Å
92	P	94.7	Very high	97.7	Very high	74 Å²	74	44.4 Å²	44.4	48%	0.481	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-64.5	-26.9	-173.1	-28.3	42.1	0	0	0	114.5	A30 W31 W90	A30-P92 HydrophobicContact CB-CB 4.22Å; W31-P92 HydrophobicContact CB-CG 3.94Å; W31-P92 HydrophobicContact CD2-CG 4.12Å; W31-P92 HydrophobicContact CE3-CG 4.26Å; W31-P92 HydrophobicContact CG-CG 4Å; W90-P92 VanDerWaalsContact C-CD 3.44Å; W90-P92 VanDerWaalsContact C-N 3.33Å
93	I	95.1	Very high	97.8	Very high	35 Å²	35	39.8 Å²	39.8	18%	0.179	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-107.7	3.7	177.1	63.1	171.9	0	0	0	112.7	A26 A27 A30 W90 V91 K95	A26-I93 HydrophobicContact CB-CD1 4.19Å; A27-I93 HydrophobicContact CB-CD1 3.78Å; A30-I93 HydrophobicContact CB-CG2 3.51Å; W90-I93 HydrophobicContact CB-CD1 3.95Å; W90-I93 HydrophobicContact CB-CG1 3.63Å; W90-I93 HydrophobicContact CD2-CD1 4.41Å; W90-I93 HydrophobicContact CE3-CD1 3.98Å; W90-I93 HydrophobicContact CG-CD1 4.48Å; W90-I93 CarbonylContact O-C 3.55Å; W90-I93 WeakPolarHBondContact O-CG1 3.2Å; W90-I93 PolarHBondContact O-N 3.09Å; W90-I93 VanDerWaalsContact O-N 3.17Å; V91-I93 PolarHBondContact O-N 3.3Å; I93-K95 HydrophobicContact CB-CD 4.45Å; I93-K95 HydrophobicContact CD1-CB 4.14Å; I93-K95 HydrophobicContact CD1-CD 3.79Å; I93-K95 HydrophobicContact CD1-CG 4.47Å; I93-K95 HydrophobicContact CG1-CB 4.03Å; I93-K95 HydrophobicContact CG1-CD 4.13Å; I93-K95 HydrophobicContact CG1-CG 4.4Å; I93-K95 WeakPolarHBondContact O-CG 3.28Å; I93-K95 PolarHBondContact O-N 2.91Å
94	R	95.9	Very high	97.7	Very high	86 Å²	86	39 Å²	39	33%	0.325	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	38.8	175.7	-59	175.3	68.8	175.9	12.6	113.5	W90 V91 Y181 Y182 K183 D184	W90-R94 PolarHBondContact O-N 2.85Å; V91-R94 PolarHBondContact O-N 2.86Å; R94-Y181 HydrophobicContact CB-CE2 4.47Å; R94-Y181 WeakPolarHBondContact O-CD2 3.37Å; R94-Y182 PolarHBondContact NE-O 3.28Å; R94-Y182 WeakPolarHBondContact O-CD2 3.48Å; R94-Y182 PolarHBondContact O-N 2.74Å; R94-K183 PolarHBondContact NH2-O 2.9Å; R94-D184 IonicContact CZ-OD1 3.93Å; R94-D184 VanDerWaalsContact NH1-CG 3.32Å; R94-D184 IonicContact NH1-OD1 3.52Å; R94-D184 PolarHBondContact NH1-OD1 3.12Å; R94-D184 IonicContact NH1-OD2 2.8Å; R94-D184 IonicContact NH2-OD1 2.81Å; R94-D184 PolarHBondContact NH2-OD1 2.98Å
95	K	97.4	Very high	97.7	Very high	36 Å²	36	45 Å²	45	16%	0.157	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	139.7	-177.8	-79	168	165.9	-167	0	110.7	W23 W90 I93 C180 Y181	W23-K95 HydrophobicContact CD2-CB 4.27Å; W23-K95 HydrophobicContact CD2-CD 3.53Å; W23-K95 HydrophobicContact CD2-CG 4.04Å; W23-K95 VanDerWaalsContact CE2-CE 3.48Å; W23-K95 HydrophobicContact CE3-CB 3.52Å; W23-K95 HydrophobicContact CE3-CD 3.69Å; W23-K95 HydrophobicContact CE3-CG 3.7Å; W23-K95 HydrophobicContact CG-CD 3.96Å; W23-K95 HydrophobicContact CH2-CB 4.21Å; W23-K95 HydrophobicContact CH2-CD 4.2Å; W23-K95 HydrophobicContact CH2-CG 3.77Å; W23-K95 HydrophobicContact CZ2-CD 4.09Å; W23-K95 HydrophobicContact CZ2-CG 4.13Å; W23-K95 HydrophobicContact CZ3-CB 3.49Å; W23-K95 VanDerWaalsContact CZ3-CB 3.49Å; W23-K95 HydrophobicContact CZ3-CD 4.03Å; W23-K95 HydrophobicContact CZ3-CG 3.56Å; W90-K95 HydrophobicContact CE3-CB 4.22Å; W90-K95 PolarHBondContact N-O 2.88Å; W90-K95 PolarHBondContact O-N 3.32Å; I93-K95 HydrophobicContact CB-CD 4.45Å; I93-K95 HydrophobicContact CD1-CB 4.14Å; I93-K95 HydrophobicContact CD1-CD 3.79Å; I93-K95 HydrophobicContact CD1-CG 4.47Å; I93-K95 HydrophobicContact CG1-CB 4.03Å; I93-K95 HydrophobicContact CG1-CD 4.13Å; I93-K95 HydrophobicContact CG1-CG 4.4Å; I93-K95 WeakPolarHBondContact O-CG 3.28Å; I93-K95 PolarHBondContact O-N 2.91Å; K95-C180 WeakPolarHBondContact CA-O 3.28Å; K95-Y181 HydrophobicContact CG-CD2 3.91Å; K95-Y181 HydrophobicContact CG-CG 4.3Å
96	Q	98.1	Very high	97.7	Very high	34 Å²	34	44.5 Å²	44.5	16%	0.159	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	139.2	172.8	176	-177.8	-91	0	0	109.8	W23 F88 Y89 R98 C180 Y182	W23-Q96 WeakPolarHBondContact CZ3-O 3.47Å; F88-Q96 CarbonylContact O-C 3.46Å; F88-Q96 WeakPolarHBondContact O-CA 3.49Å; F88-Q96 VanDerWaalsContact O-CG 3.25Å; F88-Q96 WeakPolarHBondContact O-CG 3.18Å; Y89-Q96 HydrophobicContact CD2-CB 4.13Å; Q96-R98 HydrophobicContact CG-CG 4.18Å; Q96-C180 HydrophobicContact CB-CB 4.25Å; Q96-C180 PolarHBondContact N-O 3.41Å; Q96-C180 PolarHBondContact O-N 3.23Å; Q96-Y182 HydrophobicContact CB-CE2 3.81Å; Q96-Y182 PolarHBondContact NE2-OH 2.84Å
97	V	98.7	Very high	97.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	123.8	168.8	-172.3	0	0	0	0	108.6	F20 W23 C87 F88 W90 V99 V177 E178 F179	F20-V97 HydrophobicContact CD2-CB 4.33Å; F20-V97 HydrophobicContact CD2-CG1 4.07Å; F20-V97 HydrophobicContact CD2-CG2 4.18Å; W23-V97 HydrophobicContact CE3-CG2 3.7Å; W23-V97 HydrophobicContact CZ3-CG2 4.15Å; C87-V97 WeakPolarHBondContact CA-O 3.2Å; F88-V97 HydrophobicContact CB-CB 4.36Å; F88-V97 HydrophobicContact CD2-CB 4.31Å; F88-V97 PolarHBondContact N-O 3.01Å; F88-V97 PolarHBondContact O-N 2.84Å; W90-V97 HydrophobicContact CH2-CG2 4.19Å; W90-V97 HydrophobicContact CZ3-CG2 3.86Å; V97-V99 HydrophobicContact CG1-CG2 4.14Å; V97-V177 HydrophobicContact CG1-CG1 3.72Å; V97-E178 CarbonylContact C-O 3.57Å; V97-E178 WeakPolarHBondContact CA-O 3.49Å; V97-F179 HydrophobicContact CG1-CD1 4.28Å; V97-F179 HydrophobicContact CG1-CE1 3.99Å; V97-F179 HydrophobicContact CG1-CZ 4.26Å; V97-F179 HydrophobicContact CG2-CD1 3.73Å; V97-F179 HydrophobicContact CG2-CE1 3.79Å
98	R	98.7	Very high	97.5	Very high	94 Å²	94	51.1 Å²	51.1	36%	0.355	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	132.1	171.6	-64.2	172.2	61.5	-152.7	5.8	108.9	M86 Q96 V177 E178	M86-R98 CarbonylContact O-C 3.53Å; M86-R98 WeakPolarHBondContact O-CA 3.49Å; Q96-R98 HydrophobicContact CG-CG 4.18Å; R98-V177 CarbonylContact O-C 3.57Å; R98-V177 WeakPolarHBondContact O-CA 3.4Å; R98-E178 HydrophobicContact CB-CB 4.3Å; R98-E178 IonicContact CZ-OE2 3.85Å; R98-E178 PolarHBondContact N-O 2.88Å; R98-E178 IonicContact NH1-OE2 3.77Å; R98-E178 PolarHBondContact NH1-OE2 3.41Å; R98-E178 PolarHBondContact O-N 2.84Å
99	V	98.8	Very high	97.5	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	127.5	178.6	-171.8	0	0	0	0	107.6	F64 S85 M86 V97 L172 P174 V176 V177	F64-V99 HydrophobicContact CD2-CG1 4.07Å; F64-V99 HydrophobicContact CD2-CG2 4.32Å; F64-V99 HydrophobicContact CE1-CG2 4.48Å; F64-V99 HydrophobicContact CE2-CB 4.22Å; F64-V99 HydrophobicContact CE2-CG1 3.69Å; F64-V99 HydrophobicContact CE2-CG2 3.61Å; F64-V99 HydrophobicContact CZ-CG2 3.7Å; S85-V99 CarbonylContact C-O 3.6Å; S85-V99 VanDerWaalsContact CA-O 3.23Å; S85-V99 WeakPolarHBondContact CA-O 3.41Å; S85-V99 PolarHBondContact OG-O 2.88Å; M86-V99 HydrophobicContact CB-CB 4.22Å; M86-V99 PolarHBondContact N-O 3.43Å; M86-V99 PolarHBondContact O-N 2.79Å; V97-V99 HydrophobicContact CG1-CG2 4.14Å; V99-L172 HydrophobicContact CB-CD2 4.41Å; V99-L172 HydrophobicContact CG1-CD2 3.45Å; V99-L172 VanDerWaalsContact CG1-CD2 3.45Å; V99-P174 HydrophobicContact CG1-CB 3.77Å; V99-V176 WeakPolarHBondContact CA-O 3.13Å; V99-V177 HydrophobicContact CG1-CG2 4.28Å; V99-V177 HydrophobicContact CG2-CG1 4.24Å
100	N	98.6	Very high	97.4	Very high	64 Å²	64	56.5 Å²	56.5	34%	0.342	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	140.6	166.6	-64.8	-20.7	0	0	0	108.4	S85 E175 V176	S85-N100 VanDerWaalsContact CB-OD1 3.3Å; S85-N100 WeakPolarHBondContact CB-OD1 3.29Å; S85-N100 PolarHBondContact OG-OD1 2.95Å; N100-E175 PolarHBondContact O-N 3.01Å; N100-V176 HydrophobicContact CB-CB 4.41Å; N100-V176 PolarHBondContact N-O 3.23Å; N100-V176 PolarHBondContact O-N 3.44Å; N100-V176 VanDerWaalsContact O-N 3.09Å
101	G	98.3	Very high	97.4	Very high	3 Å²	3	56.7 Å²	56.7	3%	0.031	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.3	-162.9	177.2	0	0	0	0	0	113.8	A84 K173	A84-G101 PolarHBondContact N-O 2.64Å; A84-G101 VanDerWaalsContact N-O 3.08Å; A84-G101 PolarHBondContact O-N 3.05Å; G101-K173 VanDerWaalsContact CA-O 3.28Å; G101-K173 WeakPolarHBondContact CA-O 3.49Å
102	I	98.4	Very high	97.5	Very high	41 Å²	41	56.8 Å²	56.8	21%	0.21	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	129	-175.6	-54.1	-59.2	0	0	0	109.2	H82 H83 K173	H82-I102 HydrophobicContact CB-CG2 3.88Å; H82-I102 CarbonylContact O-C 3.52Å; H82-I102 WeakPolarHBondContact O-CA 3.38Å; H83-I102 WeakPolarHBondContact CE1-CD1 3.42Å; H83-I102 WeakPolarHBondContact ND1-CD1 3.34Å; I102-K173 PolarHBondContact N-O 3.1Å; I102-K173 PolarHBondContact O-N 3.31Å
103	V	98.4	Very high	97.5	Very high	4 Å²	4	57.5 Å²	57.5	2%	0.024	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	147.1	171.3	-54.4	0	0	0	0	111.3	F66 L78 H82 A84 Y170 L171 L172	F66-V103 HydrophobicContact CZ-CG1 4.45Å; L78-V103 HydrophobicContact CB-CG2 4.06Å; L78-V103 HydrophobicContact CD1-CG1 4.48Å; L78-V103 HydrophobicContact CD1-CG2 4.33Å; L78-V103 HydrophobicContact CD2-CB 4.43Å; L78-V103 HydrophobicContact CD2-CG1 3.92Å; L78-V103 HydrophobicContact CD2-CG2 3.68Å; L78-V103 HydrophobicContact CG-CG2 4.2Å; H82-V103 HydrophobicContact CB-CG2 4.29Å; H82-V103 WeakPolarHBondContact O-CG2 3.47Å; H82-V103 PolarHBondContact O-N 3.11Å; A84-V103 HydrophobicContact CB-CG1 3.71Å; V103-Y170 HydrophobicContact CB-CD1 4.15Å; V103-Y170 HydrophobicContact CG2-CD1 4.07Å; V103-Y170 HydrophobicContact CG2-CE1 4.45Å; V103-L171 CarbonylContact C-O 3.49Å; V103-L171 VanDerWaalsContact CA-O 3.28Å; V103-L171 WeakPolarHBondContact CA-O 3.35Å; V103-L172 HydrophobicContact CG1-CB 4.25Å; V103-L172 HydrophobicContact CG1-CD1 4.32Å; V103-L172 HydrophobicContact CG1-CG 4.32Å
104	Q	98	Very high	97.4	Very high	91 Å²	91	57 Å²	57	43%	0.425	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	138.6	168.8	-61.5	-170.2	-28.7	0	0	108.6	Y170 L171	Q104-Y170 CarbonylContact O-C 3.57Å; Q104-Y170 VanDerWaalsContact O-CA 3.25Å; Q104-Y170 WeakPolarHBondContact O-CA 3.48Å; Q104-L171 PolarHBondContact N-O 3.43Å; Q104-L171 PolarHBondContact O-N 3.17Å
105	E	98.1	Very high	97.3	Very high	137 Å²	137	53.5 Å²	53.5	64%	0.64	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.4	135.4	172.3	-173.3	173.7	153.1	0	0	109.9	I168	E105-I168 VanDerWaalsContact CD-CD1 3.46Å; E105-I168 HydrophobicContact CG-CD1 3.86Å; E105-I168 HydrophobicContact CG-CG1 3.95Å
106	L	98.1	Very high	96.9	Very high	15 Å²	15	54.4 Å²	54.4	8%	0.079	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-80.6	145.5	176.4	-72.4	176.7	0	0	0	111	H65 K110 V111 L114 G169 L171	H65-L106 HydrophobicContact CB-CD1 4.45Å; L106-K110 HydrophobicContact CB-CB 4.4Å; L106-K110 HydrophobicContact CD1-CG 4.1Å; L106-K110 HydrophobicContact CD2-CG 4.18Å; L106-V111 HydrophobicContact CB-CG2 3.94Å; L106-L114 HydrophobicContact CD1-CD1 3.74Å; L106-G169 PolarHBondContact N-O 3.17Å; L106-L171 HydrophobicContact CD2-CB 3.82Å; L106-L171 HydrophobicContact CG-CB 4.47Å
107	P	97.5	Very high	96.5	Very high	91 Å²	91	59.6 Å²	59.6	59%	0.591	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-56.5	146.3	169.4	-22.5	32.8	0	0	0	111.5	E109 K110 V111	P107-E109 VanDerWaalsContact C-N 3.27Å; P107-E109 PolarHBondContact O-N 2.83Å; P107-K110 WeakPolarHBondContact O-CB 3.45Å; P107-K110 PolarHBondContact O-N 3.19Å; P107-V111 PolarHBondContact O-N 3.4Å
108	R	96.9	Very high	95.7	Very high	80 Å²	80	63.2 Å²	63.2	30%	0.302	31%	0.305	S	S	.	.	H	α-helix	trans	-53.2	-42.4	-177.2	179.7	58.4	-170.3	178.3	3.2	113.2	K110 V111 E112 C163 P164 V167	R108-K110 VanDerWaalsContact C-N 3.3Å; R108-K110 PolarHBondContact O-N 2.93Å; R108-V111 WeakPolarHBondContact O-CB 3.34Å; R108-V111 PolarHBondContact O-N 3.28Å; R108-V111 VanDerWaalsContact O-N 3.1Å; R108-E112 HydrophobicContact CG-CG 4.41Å; R108-E112 IonicContact CZ-OE1 3.95Å; R108-E112 VanDerWaalsContact CZ-OE1 3.32Å; R108-E112 IonicContact NE-OE1 3.1Å; R108-E112 PolarHBondContact NE-OE1 2.95Å; R108-E112 IonicContact NH2-OE1 3.75Å; R108-E112 PolarHBondContact NH2-OE1 3.36Å; R108-E112 WeakPolarHBondContact O-CG 3.48Å; R108-E112 PolarHBondContact O-N 3.34Å; R108-C163 PolarHBondContact NH2-O 2.85Å; R108-P164 PolarHBondContact NH1-O 3.29Å; R108-V167 PolarHBondContact NH1-O 3.09Å
109	E	96.9	Very high	94.8	Very high	160 Å²	160	63.3 Å²	63.3	75%	0.748	33%	0.326	S	S	*	.	H	α-helix	trans	-56.7	-41.9	176.6	-176.9	-178.2	-177	0	0	112.5	P107 V111 E112 Q113	P107-E109 VanDerWaalsContact C-N 3.27Å; P107-E109 PolarHBondContact O-N 2.83Å; E109-V111 VanDerWaalsContact C-N 3.35Å; E109-E112 PolarHBondContact O-N 2.85Å; E109-Q113 WeakPolarHBondContact O-CB 3.38Å; E109-Q113 PolarHBondContact O-N 2.95Å
110	K	96.8	Very high	94.2	Very high	64 Å²	64	67.2 Å²	67.2	28%	0.278	35%	0.347	S	S	.	.	H	α-helix	trans	-67.3	-38.2	177.5	-172.4	66	174.1	-175	0	111.4	L106 P107 R108 Q113 L114	L106-K110 HydrophobicContact CB-CB 4.4Å; L106-K110 HydrophobicContact CD1-CG 4.1Å; L106-K110 HydrophobicContact CD2-CG 4.18Å; P107-K110 WeakPolarHBondContact O-CB 3.45Å; P107-K110 PolarHBondContact O-N 3.19Å; R108-K110 VanDerWaalsContact C-N 3.3Å; R108-K110 PolarHBondContact O-N 2.93Å; K110-Q113 PolarHBondContact O-N 3.42Å; K110-L114 HydrophobicContact CG-CD1 4.27Å; K110-L114 WeakPolarHBondContact O-CB 3.41Å; K110-L114 VanDerWaalsContact O-CG 3.26Å; K110-L114 WeakPolarHBondContact O-CG 3.37Å; K110-L114 PolarHBondContact O-N 3Å
111	V	97.4	Very high	93.6	Very high	4 Å²	4	67.4 Å²	67.4	2%	0.024	35%	0.347	C	S	.	.	H	α-helix	trans	-63	-44.3	175.6	-179.3	0	0	0	0	110.9	L106 P107 R108 E109 L114 F115 V167	L106-V111 HydrophobicContact CB-CG2 3.94Å; P107-V111 PolarHBondContact O-N 3.4Å; R108-V111 WeakPolarHBondContact O-CB 3.34Å; R108-V111 PolarHBondContact O-N 3.28Å; R108-V111 VanDerWaalsContact O-N 3.1Å; E109-V111 VanDerWaalsContact C-N 3.35Å; V111-L114 PolarHBondContact O-N 3.46Å; V111-F115 WeakPolarHBondContact O-CB 3.35Å; V111-F115 PolarHBondContact O-N 3.29Å; V111-V167 HydrophobicContact CG1-CB 4.37Å; V111-V167 HydrophobicContact CG1-CG1 3.57Å
112	E	95.9	Very high	93.1	Very high	80 Å²	80	74 Å²	74	37%	0.374	38%	0.377	S	S	.	.	H	α-helix	trans	-64	-44.3	177.1	-69.3	177.1	169.3	0	0	111.4	R108 E109 F115 C116 C163	R108-E112 HydrophobicContact CG-CG 4.41Å; R108-E112 IonicContact CZ-OE1 3.95Å; R108-E112 VanDerWaalsContact CZ-OE1 3.32Å; R108-E112 IonicContact NE-OE1 3.1Å; R108-E112 PolarHBondContact NE-OE1 2.95Å; R108-E112 IonicContact NH2-OE1 3.75Å; R108-E112 PolarHBondContact NH2-OE1 3.36Å; R108-E112 WeakPolarHBondContact O-CG 3.48Å; R108-E112 PolarHBondContact O-N 3.34Å; E109-E112 PolarHBondContact O-N 2.85Å; E112-F115 PolarHBondContact O-N 3.4Å; E112-C116 WeakPolarHBondContact O-CB 3.3Å; E112-C116 PolarHBondContact O-N 2.92Å; E112-C116 PolarHBondContact O-SG 3.45Å; E112-C163 HydrophobicContact CB-CB 4.35Å; E112-C163 HydrophobicContact CG-CB 3.87Å
113	Q	95.1	Very high	92.6	Very high	88 Å²	88	73.1 Å²	73.1	41%	0.411	38%	0.379	S	S	.	.	H	α-helix	trans	-57.3	-51.1	174.4	-174	-169.7	17	0	0	111.6	E109 K110 F115 C116 H117	E109-Q113 WeakPolarHBondContact O-CB 3.38Å; E109-Q113 PolarHBondContact O-N 2.95Å; K110-Q113 PolarHBondContact O-N 3.42Å; Q113-F115 VanDerWaalsContact C-N 3.35Å; Q113-F115 PolarHBondContact O-N 3.4Å; Q113-C116 PolarHBondContact O-N 3.48Å; Q113-H117 WeakPolarHBondContact O-CB 3.23Å; Q113-H117 VanDerWaalsContact O-CG 3.28Å; Q113-H117 PolarHBondContact O-N 3.04Å
114	L	93.8	Very high	92.2	Very high	25 Å²	25	73.2 Å²	73.2	13%	0.131	38%	0.379	C	S	.	.	H	α-helix	trans	-62.6	-41.9	179.9	-72	171.3	0	0	0	111.7	H65 L106 K110 V111 E118	H65-L114 HydrophobicContact CB-CD1 4.03Å; L106-L114 HydrophobicContact CD1-CD1 3.74Å; K110-L114 HydrophobicContact CG-CD1 4.27Å; K110-L114 WeakPolarHBondContact O-CB 3.41Å; K110-L114 VanDerWaalsContact O-CG 3.26Å; K110-L114 WeakPolarHBondContact O-CG 3.37Å; K110-L114 PolarHBondContact O-N 3Å; V111-L114 PolarHBondContact O-N 3.46Å; L114-E118 PolarHBondContact O-N 2.79Å
115	F	93.6	Very high	91.9	Very high	12 Å²	12	69 Å²	69	5%	0.053	36%	0.359	C	S	.	.	H	α-helix	trans	-63	-49.1	177.3	-178	-91.5	0	0	0	111.2	V111 E112 Q113 H117 E118 Q124 T127 I128 L161 C163 V167	V111-F115 WeakPolarHBondContact O-CB 3.35Å; V111-F115 PolarHBondContact O-N 3.29Å; E112-F115 PolarHBondContact O-N 3.4Å; Q113-F115 VanDerWaalsContact C-N 3.35Å; Q113-F115 PolarHBondContact O-N 3.4Å; F115-H117 VanDerWaalsContact C-N 3.3Å; F115-H117 PolarHBondContact O-N 3.25Å; F115-E118 VanDerWaalsContact O-CB 3.26Å; F115-E118 WeakPolarHBondContact O-CB 3.4Å; F115-E118 PolarHBondContact O-N 2.78Å; F115-Q124 HydrophobicContact CE1-CB 4.22Å; F115-Q124 HydrophobicContact CE1-CG 4.07Å; F115-Q124 HydrophobicContact CE2-CB 4.16Å; F115-Q124 HydrophobicContact CE2-CG 4.1Å; F115-Q124 HydrophobicContact CZ-CB 3.65Å; F115-Q124 HydrophobicContact CZ-CG 3.8Å; F115-Q124 PolarHBondContact O-NE2 2.92Å; F115-T127 HydrophobicContact CE2-CG2 3.92Å; F115-I128 HydrophobicContact CE1-CD1 4.39Å; F115-I128 HydrophobicContact CZ-CD1 3.91Å; F115-I128 HydrophobicContact CZ-CG1 3.93Å; F115-L161 HydrophobicContact CE1-CB 4.33Å; F115-C163 HydrophobicContact CB-CB 3.98Å; F115-C163 VanDerWaalsContact CB-SG 3.6Å; F115-C163 VanDerWaalsContact CD1-CA 3.49Å; F115-C163 HydrophobicContact CD1-CB 3.62Å; F115-C163 HydrophobicContact CE1-CB 4.3Å; F115-C163 HydrophobicContact CG-CB 3.85Å; F115-V167 HydrophobicContact CD2-CG2 4.44Å
116	C	89.7	Confident	91.5	Very high	55 Å²	55	65 Å²	65	37%	0.372	34%	0.344	S	S	.	.	H	α-helix	trans	-68.7	-26.3	-177	-69.5	0	0	0	0	113.6	E112 Q113	E112-C116 WeakPolarHBondContact O-CB 3.3Å; E112-C116 PolarHBondContact O-N 2.92Å; E112-C116 PolarHBondContact O-SG 3.45Å; Q113-C116 PolarHBondContact O-N 3.48Å
117	H	87.7	Confident	91.2	Very high	143 Å²	143	66.8 Å²	66.8	66%	0.662	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-5.1	176.1	-68.7	175	0	0	0	114	Q113 F115 A119	Q113-H117 WeakPolarHBondContact O-CB 3.23Å; Q113-H117 VanDerWaalsContact O-CG 3.28Å; Q113-H117 PolarHBondContact O-N 3.04Å; F115-H117 VanDerWaalsContact C-N 3.3Å; F115-H117 PolarHBondContact O-N 3.25Å; H117-A119 PolarHBondContact O-N 2.93Å
118	E	83.3	Confident	90.9	Very high	77 Å²	77	64.1 Å²	64.1	36%	0.36	34%	0.336	S	S	.	.			trans	-61.1	119.1	173	177.4	54.7	-106.6	0	0	110.2	L114 F115 N120 Q124	L114-E118 PolarHBondContact O-N 2.79Å; F115-E118 VanDerWaalsContact O-CB 3.26Å; F115-E118 WeakPolarHBondContact O-CB 3.4Å; F115-E118 PolarHBondContact O-N 2.78Å; E118-N120 VanDerWaalsContact C-N 3.26Å; E118-N120 HydrophobicContact CG-CB 4.29Å; E118-N120 PolarHBondContact O-N 3.03Å; E118-N120 WeakPolarHBondContact OE1-CB 3.25Å; E118-N120 PolarHBondContact OE1-N 3.12Å; E118-Q124 HydrophobicContact CB-CG 4.12Å; E118-Q124 HydrophobicContact CG-CG 4.15Å; E118-Q124 PolarHBondContact O-NE2 3Å
119	A	79.6	Confident	90.6	Very high	95 Å²	95	62 Å²	62	79%	0.785	33%	0.332	S	S	*	.	S	Bend	trans	-71.9	-24.7	-178.9	0	0	0	0	0	111.9	H117 I121	H117-A119 PolarHBondContact O-N 2.93Å; A119-I121 PolarHBondContact O-N 3.2Å; A119-I121 VanDerWaalsContact O-N 3.17Å
120	N	85.2	Confident	90.3	Very high	82 Å²	82	57.7 Å²	57.7	44%	0.439	31%	0.311	S	S	.	.			trans	-83.9	89.7	179	-170.1	-15.9	0	0	0	112	E118 E122 G123 Q124	E118-N120 VanDerWaalsContact C-N 3.26Å; E118-N120 HydrophobicContact CG-CB 4.29Å; E118-N120 PolarHBondContact O-N 3.03Å; E118-N120 WeakPolarHBondContact OE1-CB 3.25Å; E118-N120 PolarHBondContact OE1-N 3.12Å; N120-E122 VanDerWaalsContact C-N 3.26Å; N120-E122 PolarHBondContact O-N 2.94Å; N120-E122 WeakPolarHBondContact OD1-CB 3.4Å; N120-E122 PolarHBondContact OD1-N 3.03Å; N120-E122 VanDerWaalsContact OD1-N 3.11Å; N120-G123 WeakPolarHBondContact O-CA 3.17Å; N120-G123 PolarHBondContact O-N 2.95Å; N120-G123 PolarHBondContact OD1-N 3.24Å; N120-Q124 PolarHBondContact O-N 3.21Å; N120-Q124 VanDerWaalsContact O-N 3.09Å
121	I	86.6	Confident	89.8	Confident	69 Å²	69	56.9 Å²	56.9	35%	0.354	31%	0.313	S	S	.	.	H	α-helix	trans	-56.4	-37.2	175.3	-59.2	-57.1	0	0	0	112.2	A119 G123 Q124 I125 L161	A119-I121 PolarHBondContact O-N 3.2Å; A119-I121 VanDerWaalsContact O-N 3.17Å; I121-G123 VanDerWaalsContact C-N 3.27Å; I121-G123 PolarHBondContact O-N 3.13Å; I121-Q124 VanDerWaalsContact CD1-OE1 3.22Å; I121-Q124 WeakPolarHBondContact O-CB 3.34Å; I121-Q124 PolarHBondContact O-N 3.34Å; I121-I125 HydrophobicContact CG2-CD1 3.89Å; I121-I125 HydrophobicContact CG2-CG1 4.37Å; I121-I125 VanDerWaalsContact O-CG1 3.31Å; I121-I125 WeakPolarHBondContact O-CG1 3.25Å; I121-I125 PolarHBondContact O-N 3.32Å; I121-L161 HydrophobicContact CG2-CD1 4.17Å
122	E	87.1	Confident	89.3	Confident	140 Å²	140	64.3 Å²	64.3	65%	0.654	35%	0.345	S	S	*	.	H	α-helix	trans	-64.6	-34.7	176.2	-62.6	-171.9	166.9	0	0	111.8	N120 I125 T126	N120-E122 VanDerWaalsContact C-N 3.26Å; N120-E122 PolarHBondContact O-N 2.94Å; N120-E122 WeakPolarHBondContact OD1-CB 3.4Å; N120-E122 PolarHBondContact OD1-N 3.03Å; N120-E122 VanDerWaalsContact OD1-N 3.11Å; E122-I125 PolarHBondContact O-N 3.34Å; E122-T126 WeakPolarHBondContact O-CB 3.41Å; E122-T126 PolarHBondContact O-N 2.89Å; E122-T126 PolarHBondContact O-OG1 2.84Å
123	G	88.4	Confident	88.8	Confident	24 Å²	24	64 Å²	64	25%	0.247	34%	0.344	C	S	.	.	H	α-helix	trans	-63.6	-43	172.4	0	0	0	0	0	112.6	N120 I121 T126 T127	N120-G123 WeakPolarHBondContact O-CA 3.17Å; N120-G123 PolarHBondContact O-N 2.95Å; N120-G123 PolarHBondContact OD1-N 3.24Å; I121-G123 VanDerWaalsContact C-N 3.27Å; I121-G123 PolarHBondContact O-N 3.13Å; G123-T126 PolarHBondContact O-N 3.43Å; G123-T127 WeakPolarHBondContact O-CB 3.39Å; G123-T127 PolarHBondContact O-N 2.91Å; G123-T127 PolarHBondContact O-OG1 2.8Å
124	Q	90.1	Very high	88.4	Confident	6 Å²	6	64 Å²	64	3%	0.028	35%	0.354	C	S	.	.	H	α-helix	trans	-62.5	-48	173.9	-70.1	177.1	-20.9	0	0	111.6	F115 E118 N120 I121 T126 T127 I128 L161	F115-Q124 HydrophobicContact CE1-CB 4.22Å; F115-Q124 HydrophobicContact CE1-CG 4.07Å; F115-Q124 HydrophobicContact CE2-CB 4.16Å; F115-Q124 HydrophobicContact CE2-CG 4.1Å; F115-Q124 HydrophobicContact CZ-CB 3.65Å; F115-Q124 HydrophobicContact CZ-CG 3.8Å; F115-Q124 PolarHBondContact O-NE2 2.92Å; E118-Q124 HydrophobicContact CB-CG 4.12Å; E118-Q124 HydrophobicContact CG-CG 4.15Å; E118-Q124 PolarHBondContact O-NE2 3Å; N120-Q124 PolarHBondContact O-N 3.21Å; N120-Q124 VanDerWaalsContact O-N 3.09Å; I121-Q124 VanDerWaalsContact CD1-OE1 3.22Å; I121-Q124 WeakPolarHBondContact O-CB 3.34Å; I121-Q124 PolarHBondContact O-N 3.34Å; Q124-T126 VanDerWaalsContact C-N 3.33Å; Q124-T126 PolarHBondContact O-N 2.9Å; Q124-T127 WeakPolarHBondContact O-CB 3.38Å; Q124-T127 PolarHBondContact O-N 2.93Å; Q124-T127 VanDerWaalsContact O-N 3.12Å; Q124-I128 WeakPolarHBondContact O-CG1 3.38Å; Q124-I128 PolarHBondContact O-N 2.98Å; Q124-L161 HydrophobicContact CB-CD1 3.81Å
125	I	91.1	Very high	88	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.005	37%	0.367	C	S	.	.	H	α-helix	trans	-59.3	-45.5	177.7	-67.9	166.6	0	0	0	110.4	I121 E122 T127 I128 T129 M147 A150 T151 L154 I155 L161	I121-I125 HydrophobicContact CG2-CD1 3.89Å; I121-I125 HydrophobicContact CG2-CG1 4.37Å; I121-I125 VanDerWaalsContact O-CG1 3.31Å; I121-I125 WeakPolarHBondContact O-CG1 3.25Å; I121-I125 PolarHBondContact O-N 3.32Å; E122-I125 PolarHBondContact O-N 3.34Å; I125-T127 VanDerWaalsContact C-N 3.28Å; I125-T127 PolarHBondContact O-N 2.77Å; I125-I128 PolarHBondContact O-N 2.83Å; I125-T129 VanDerWaalsContact O-CB 3.24Å; I125-T129 WeakPolarHBondContact O-CB 3.38Å; I125-T129 PolarHBondContact O-N 2.95Å; I125-T129 PolarHBondContact O-OG1 3.48Å; I125-M147 HydrophobicContact CB-CE 4.14Å; I125-M147 HydrophobicContact CG2-CE 3.61Å; I125-M147 HydrophobicContact CG2-SD 4.24Å; I125-A150 HydrophobicContact CG2-CB 4.1Å; I125-T151 HydrophobicContact CD1-CG2 4.47Å; I125-L154 HydrophobicContact CG2-CD1 4.16Å; I125-I155 HydrophobicContact CD1-CD1 3.77Å; I125-I155 HydrophobicContact CD1-CG1 3.69Å; I125-L161 HydrophobicContact CG1-CD1 3.69Å
126	T	91.2	Very high	87.7	Confident	54 Å²	54	71.8 Å²	71.8	33%	0.331	41%	0.408	S	S	.	.	H	α-helix	trans	-57.7	-45.3	176.5	-60.8	0	0	0	0	110.5	E122 G123 Q124 T129 F130 M147	E122-T126 WeakPolarHBondContact O-CB 3.41Å; E122-T126 PolarHBondContact O-N 2.89Å; E122-T126 PolarHBondContact O-OG1 2.84Å; G123-T126 PolarHBondContact O-N 3.43Å; Q124-T126 VanDerWaalsContact C-N 3.33Å; Q124-T126 PolarHBondContact O-N 2.9Å; T126-T129 PolarHBondContact O-N 2.6Å; T126-F130 HydrophobicContact CG2-CD2 3.76Å; T126-F130 HydrophobicContact CG2-CE2 4.2Å; T126-F130 WeakPolarHBondContact O-CD2 3.48Å; T126-F130 PolarHBondContact O-N 2.89Å; T126-M147 WeakPolarHBondContact OG1-CE 3.36Å
127	T	91.8	Very high	87.5	Confident	53 Å²	53	76 Å²	76	33%	0.325	43%	0.426	S	S	.	.	H	α-helix	trans	-63.2	-44.1	179.7	-61.5	0	0	0	0	111.8	F115 G123 Q124 I125 H166 V167	F115-T127 HydrophobicContact CE2-CG2 3.92Å; G123-T127 WeakPolarHBondContact O-CB 3.39Å; G123-T127 PolarHBondContact O-N 2.91Å; G123-T127 PolarHBondContact O-OG1 2.8Å; Q124-T127 WeakPolarHBondContact O-CB 3.38Å; Q124-T127 PolarHBondContact O-N 2.93Å; Q124-T127 VanDerWaalsContact O-N 3.12Å; I125-T127 VanDerWaalsContact C-N 3.28Å; I125-T127 PolarHBondContact O-N 2.77Å; T127-H166 PolarHBondContact O-NE2 2.95Å; T127-V167 HydrophobicContact CG2-CG2 3.26Å
128	I	90.8	Very high	87.3	Confident	34 Å²	34	73.5 Å²	73.5	17%	0.174	43%	0.43	C	S	.	.	H	α-helix	trans	-63.6	-45.9	176.6	-68.6	163.3	0	0	0	111	F115 Q124 I125 L154 L161 P164	F115-I128 HydrophobicContact CE1-CD1 4.39Å; F115-I128 HydrophobicContact CZ-CD1 3.91Å; F115-I128 HydrophobicContact CZ-CG1 3.93Å; Q124-I128 WeakPolarHBondContact O-CG1 3.38Å; Q124-I128 PolarHBondContact O-N 2.98Å; I125-I128 PolarHBondContact O-N 2.83Å; I128-L154 HydrophobicContact CB-CD1 4.16Å; I128-L154 HydrophobicContact CD1-CD1 4.49Å; I128-L154 HydrophobicContact CG2-CD1 3.73Å; I128-L154 HydrophobicContact CG2-CD2 4.17Å; I128-L161 HydrophobicContact CD1-CB 3.89Å; I128-L161 HydrophobicContact CD1-CD1 4.18Å; I128-L161 HydrophobicContact CD1-CG 4.43Å; I128-P164 HydrophobicContact CG1-CB 4.48Å; I128-P164 HydrophobicContact CG1-CG 3.91Å
129	T	90.4	Very high	87.3	Confident	37 Å²	37	73.9 Å²	73.9	23%	0.227	45%	0.454	C	S	.	.	H	α-helix	trans	-70.4	-42.6	-171.8	-56.7	0	0	0	0	112.4	I125 T126 S131 I146 A150	I125-T129 VanDerWaalsContact O-CB 3.24Å; I125-T129 WeakPolarHBondContact O-CB 3.38Å; I125-T129 PolarHBondContact O-N 2.95Å; I125-T129 PolarHBondContact O-OG1 3.48Å; T126-T129 PolarHBondContact O-N 2.6Å; T129-S131 PolarHBondContact O-N 3.47Å; T129-I146 HydrophobicContact CG2-CG2 3.57Å; T129-A150 HydrophobicContact CG2-CB 3.89Å; T129-A150 WeakPolarHBondContact OG1-CB 3.39Å
130	F	89.9	Confident	87.7	Confident	69 Å²	69	72.4 Å²	72.4	30%	0.303	45%	0.448	S	S	.	.			trans	-100.4	65.9	-173.2	-61.9	-69.6	0	0	0	112.5	N69 T126 K132 R143 I146 M147	N69-F130 PolarHBondContact ND2-O 3.39Å; T126-F130 HydrophobicContact CG2-CD2 3.76Å; T126-F130 HydrophobicContact CG2-CE2 4.2Å; T126-F130 WeakPolarHBondContact O-CD2 3.48Å; T126-F130 PolarHBondContact O-N 2.89Å; F130-K132 VanDerWaalsContact C-N 3.3Å; F130-K132 PolarHBondContact O-N 2.8Å; F130-R143 HydrophobicContact CE2-CG 4.29Å; F130-R143 HydrophobicContact CZ-CG 3.89Å; F130-I146 HydrophobicContact CE1-CD1 4.33Å; F130-I146 HydrophobicContact CE1-CG2 4.01Å; F130-I146 HydrophobicContact CZ-CB 4.35Å; F130-I146 HydrophobicContact CZ-CG2 3.97Å; F130-M147 HydrophobicContact CD2-SD 4.39Å; F130-M147 HydrophobicContact CE2-CG 3.95Å; F130-M147 HydrophobicContact CE2-SD 3.56Å; F130-M147 VanDerWaalsContact CE2-SD 3.56Å; F130-M147 HydrophobicContact CZ-CG 4.24Å; F130-M147 HydrophobicContact CZ-SD 4.31Å
131	S	87.6	Confident	87.8	Confident	46 Å²	46	73 Å²	73	32%	0.322	46%	0.457	S	S	.	.			trans	-66.3	-24.3	-177.9	65.4	0	0	0	0	115	N69 N71 T129 Q133 H166	N69-S131 PolarHBondContact ND2-O 3.17Å; N69-S131 PolarHBondContact OD1-O 3.18Å; N71-S131 PolarHBondContact ND2-O 2.77Å; T129-S131 PolarHBondContact O-N 3.47Å; S131-Q133 PolarHBondContact O-N 3.28Å; S131-H166 VanDerWaalsContact CB-CE1 3.49Å; S131-H166 WeakPolarHBondContact CB-CE1 3.3Å; S131-H166 WeakPolarHBondContact CB-ND1 3.45Å
132	K	85.9	Confident	87.9	Confident	160 Å²	160	72.3 Å²	72.3	70%	0.696	46%	0.458	S	S	*	.	S	Bend	trans	-98.8	56.3	178.5	-60.7	-176.9	-177.9	179.1	0	111.8	F130 S134 A135	F130-K132 VanDerWaalsContact C-N 3.3Å; F130-K132 PolarHBondContact O-N 2.8Å; K132-S134 PolarHBondContact O-N 3.13Å; K132-A135 HydrophobicContact CB-CB 3.91Å; K132-A135 WeakPolarHBondContact O-CB 3.46Å; K132-A135 PolarHBondContact O-N 2.78Å; K132-A135 VanDerWaalsContact O-N 3.15Å
133	Q	86.9	Confident	88	Confident	75 Å²	75	73.2 Å²	73.2	35%	0.35	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	133.7	179.7	-174.3	177.6	9.3	0	0	110.7	N69 S131 A135	N69-Q133 HydrophobicContact CB-CB 3.91Å; S131-Q133 PolarHBondContact O-N 3.28Å; Q133-A135 PolarHBondContact O-N 3.04Å
134	S	85.3	Confident	88.1	Confident	88 Å²	88	77.4 Å²	77.4	62%	0.615	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	3.1	-179.6	-52.5	0	0	0	0	116.3	P73 K132	P73-S134 WeakPolarHBondContact CD-OG 3.44Å; K132-S134 PolarHBondContact O-N 3.13Å
135	A	86.3	Confident	88.2	Confident	50 Å²	50	81.4 Å²	81.4	41%	0.413	49%	0.493	S	S	.	.			trans	-69.1	142.8	171.1	0	0	0	0	0	111.1	K132 Q133 I137	K132-A135 HydrophobicContact CB-CB 3.91Å; K132-A135 WeakPolarHBondContact O-CB 3.46Å; K132-A135 PolarHBondContact O-N 2.78Å; K132-A135 VanDerWaalsContact O-N 3.15Å; Q133-A135 PolarHBondContact O-N 3.04Å; A135-I137 PolarHBondContact O-N 3.47Å
136	V	86.5	Confident	88.2	Confident	150 Å²	150	84.3 Å²	84.3	91%	0.909	51%	0.508	S	S	*	.			trans	-67.3	125.7	166.6	-179.5	0	0	0	0	107.8
137	I	84.9	Confident	88.2	Confident	144 Å²	144	82.7 Å²	82.7	74%	0.738	50%	0.497	S	S	*	.			trans	-109.6	147	178.2	61.8	173.7	0	0	0	110	A135	A135-I137 PolarHBondContact O-N 3.47Å
138	A	83.9	Confident	88.2	Confident	90 Å²	90	86.7 Å²	86.7	74%	0.744	51%	0.51	S	S	*	.			trans	-68.6	162.3	167.9	0	0	0	0	0	110.3
139	G	84.9	Confident	88.2	Confident	84 Å²	84	89.2 Å²	89.2	87%	0.866	52%	0.521	S	S	*	.	S	Bend	trans	-57.1	155	166.3	0	0	0	0	0	111.4
140	G	86.7	Confident	88.2	Confident	65 Å²	65	87.9 Å²	87.9	67%	0.67	51%	0.513	S	S	*	.			trans	168.8	-159.1	-173.9	0	0	0	0	0	111.8
141	P	87.3	Confident	88.1	Confident	95 Å²	95	86.8 Å²	86.8	62%	0.617	51%	0.513	S	S	*	.	S	Bend	trans	-52.3	144.7	174.4	-24.2	33.9	0	0	0	111.3	D145 I146	P141-D145 HydrophobicContact CB-CB 4.07Å; P141-I146 HydrophobicContact CB-CG1 4.09Å
142	S	89.7	Confident	88.2	Confident	54 Å²	54	91.1 Å²	91.1	38%	0.378	53%	0.526	S	S	.	.			trans	-65	158	177.6	76.5	0	0	0	0	110.3	L144 D145 I146	S142-L144 PolarHBondContact O-N 2.78Å; S142-L144 VanDerWaalsContact O-N 3.11Å; S142-L144 PolarHBondContact OG-N 3.25Å; S142-D145 WeakPolarHBondContact CB-OD2 3.45Å; S142-D145 PolarHBondContact N-OD2 3.36Å; S142-D145 VanDerWaalsContact N-OD2 3.09Å; S142-D145 PolarHBondContact O-N 3.05Å; S142-D145 PolarHBondContact OG-N 2.93Å; S142-D145 PolarHBondContact OG-OD2 2.71Å; S142-I146 WeakPolarHBondContact O-CG1 3.41Å; S142-I146 PolarHBondContact O-N 3.3Å
143	R	88.9	Confident	88.2	Confident	158 Å²	158	90.1 Å²	90.1	60%	0.596	52%	0.523	S	S	*	.	H	α-helix	trans	-49.4	-38.3	170.9	179.8	-170.5	65.1	86.3	0.1	111.8	F130 M147	F130-R143 HydrophobicContact CE2-CG 4.29Å; F130-R143 HydrophobicContact CZ-CG 3.89Å; R143-M147 HydrophobicContact CG-CG 4.49Å; R143-M147 WeakPolarHBondContact O-CB 3.32Å; R143-M147 VanDerWaalsContact O-CG 3.28Å; R143-M147 WeakPolarHBondContact O-CG 3.45Å; R143-M147 PolarHBondContact O-N 2.98Å
144	L	90.2	Very high	88	Confident	113 Å²	113	89 Å²	89	59%	0.592	52%	0.519	S	S	*	.	H	α-helix	trans	-67.9	-38.8	-179.7	-68.2	172.6	0	0	0	111.8	S142 M147 K148	S142-L144 PolarHBondContact O-N 2.78Å; S142-L144 VanDerWaalsContact O-N 3.11Å; S142-L144 PolarHBondContact OG-N 3.25Å; L144-M147 PolarHBondContact O-N 3.21Å; L144-K148 VanDerWaalsContact O-CB 3.31Å; L144-K148 WeakPolarHBondContact O-CB 3.26Å; L144-K148 PolarHBondContact O-N 2.73Å
145	D	92.4	Very high	87.4	Confident	89 Å²	89	88.1 Å²	88.1	48%	0.476	51%	0.507	S	S	.	.	H	α-helix	trans	-66.7	-44.5	177.1	-59.6	-49.1	0	0	0	111.2	P141 S142 M147 K148 E149	P141-D145 HydrophobicContact CB-CB 4.07Å; S142-D145 WeakPolarHBondContact CB-OD2 3.45Å; S142-D145 PolarHBondContact N-OD2 3.36Å; S142-D145 VanDerWaalsContact N-OD2 3.09Å; S142-D145 PolarHBondContact O-N 3.05Å; S142-D145 PolarHBondContact OG-N 2.93Å; S142-D145 PolarHBondContact OG-OD2 2.71Å; D145-M147 VanDerWaalsContact C-N 3.34Å; D145-M147 PolarHBondContact O-N 2.89Å; D145-K148 PolarHBondContact O-N 3.37Å; D145-E149 PolarHBondContact O-N 2.9Å
146	I	90.4	Very high	87	Confident	63 Å²	63	89.6 Å²	89.6	32%	0.323	51%	0.508	S	S	.	.	H	α-helix	trans	-59.5	-47.5	176.1	-62.5	171.6	0	0	0	110.1	T129 F130 P141 S142 E149 A150	T129-I146 HydrophobicContact CG2-CG2 3.57Å; F130-I146 HydrophobicContact CE1-CD1 4.33Å; F130-I146 HydrophobicContact CE1-CG2 4.01Å; F130-I146 HydrophobicContact CZ-CB 4.35Å; F130-I146 HydrophobicContact CZ-CG2 3.97Å; P141-I146 HydrophobicContact CB-CG1 4.09Å; S142-I146 WeakPolarHBondContact O-CG1 3.41Å; S142-I146 PolarHBondContact O-N 3.3Å; I146-E149 PolarHBondContact O-N 3.38Å; I146-A150 WeakPolarHBondContact O-CB 3.49Å; I146-A150 PolarHBondContact O-N 3.21Å
147	M	91.9	Very high	85.9	Confident	20 Å²	20	89.8 Å²	89.8	10%	0.099	50%	0.503	C	S	.	.	H	α-helix	trans	-63.7	-42.7	178.3	-76.8	-62.3	-64.1	0	0	112.1	I125 T126 F130 R143 L144 D145 E149 A150 T151	I125-M147 HydrophobicContact CB-CE 4.14Å; I125-M147 HydrophobicContact CG2-CE 3.61Å; I125-M147 HydrophobicContact CG2-SD 4.24Å; T126-M147 WeakPolarHBondContact OG1-CE 3.36Å; F130-M147 HydrophobicContact CD2-SD 4.39Å; F130-M147 HydrophobicContact CE2-CG 3.95Å; F130-M147 HydrophobicContact CE2-SD 3.56Å; F130-M147 VanDerWaalsContact CE2-SD 3.56Å; F130-M147 HydrophobicContact CZ-CG 4.24Å; F130-M147 HydrophobicContact CZ-SD 4.31Å; R143-M147 HydrophobicContact CG-CG 4.49Å; R143-M147 WeakPolarHBondContact O-CB 3.32Å; R143-M147 VanDerWaalsContact O-CG 3.28Å; R143-M147 WeakPolarHBondContact O-CG 3.45Å; R143-M147 PolarHBondContact O-N 2.98Å; L144-M147 PolarHBondContact O-N 3.21Å; D145-M147 VanDerWaalsContact C-N 3.34Å; D145-M147 PolarHBondContact O-N 2.89Å; M147-E149 VanDerWaalsContact C-N 3.25Å; M147-E149 PolarHBondContact O-N 3.36Å; M147-A150 PolarHBondContact O-N 3.26Å; M147-T151 VanDerWaalsContact O-CB 3.26Å; M147-T151 WeakPolarHBondContact O-CB 3.41Å; M147-T151 PolarHBondContact O-N 3.3Å; M147-T151 PolarHBondContact O-OG1 3.1Å
148	K	91.2	Very high	85.2	Confident	137 Å²	137	87.1 Å²	87.1	60%	0.596	50%	0.497	S	S	*	.	H	α-helix	trans	-59.2	-39.8	177.9	-175	178.4	-177.3	179.2	0	111.7	L144 D145 K152	L144-K148 VanDerWaalsContact O-CB 3.31Å; L144-K148 WeakPolarHBondContact O-CB 3.26Å; L144-K148 PolarHBondContact O-N 2.73Å; D145-K148 PolarHBondContact O-N 3.37Å; K148-K152 WeakPolarHBondContact O-CG 3.38Å; K148-K152 PolarHBondContact O-N 3.38Å
149	E	91.6	Very high	85.1	Confident	87 Å²	87	89.6 Å²	89.6	41%	0.407	49%	0.491	S	S	.	.	H	α-helix	trans	-72.2	-46.4	177.3	-172.5	54.5	-153	0	0	111.9	D145 I146 M147 T151 K152 Q153	D145-E149 PolarHBondContact O-N 2.9Å; I146-E149 PolarHBondContact O-N 3.38Å; M147-E149 VanDerWaalsContact C-N 3.25Å; M147-E149 PolarHBondContact O-N 3.36Å; E149-T151 VanDerWaalsContact C-N 3.32Å; E149-T151 PolarHBondContact O-N 3.35Å; E149-K152 PolarHBondContact O-N 3.33Å; E149-K152 VanDerWaalsContact O-N 3.14Å; E149-K152 IonicContact OE2-NZ 2.86Å; E149-Q153 WeakPolarHBondContact O-CG 3.39Å; E149-Q153 PolarHBondContact O-N 3.48Å; E149-Q153 VanDerWaalsContact O-N 3.12Å; E149-Q153 PolarHBondContact OE1-NE2 3.03Å
150	A	89.5	Confident	85.1	Confident	9 Å²	9	90.7 Å²	90.7	7%	0.074	48%	0.483	C	S	.	.	H	α-helix	trans	-59.2	-42.1	176.9	0	0	0	0	0	112.3	I125 T129 I146 M147 K152 Q153 L154	I125-A150 HydrophobicContact CG2-CB 4.1Å; T129-A150 HydrophobicContact CG2-CB 3.89Å; T129-A150 WeakPolarHBondContact OG1-CB 3.39Å; I146-A150 WeakPolarHBondContact O-CB 3.49Å; I146-A150 PolarHBondContact O-N 3.21Å; M147-A150 PolarHBondContact O-N 3.26Å; A150-K152 VanDerWaalsContact C-N 3.33Å; A150-K152 PolarHBondContact O-N 2.8Å; A150-Q153 PolarHBondContact O-N 3.27Å; A150-Q153 VanDerWaalsContact O-N 3.15Å; A150-L154 HydrophobicContact CB-CD1 4.31Å; A150-L154 VanDerWaalsContact O-CB 3.26Å; A150-L154 WeakPolarHBondContact O-CB 3.45Å; A150-L154 WeakPolarHBondContact O-CG 3.28Å; A150-L154 PolarHBondContact O-N 2.84Å
151	T	88.9	Confident	85.2	Confident	46 Å²	46	88.2 Å²	88.2	28%	0.282	46%	0.455	S	S	.	.	H	α-helix	trans	-57.6	-43.6	175.4	-66.8	0	0	0	0	111.6	I125 M147 E149 Q153 I155	I125-T151 HydrophobicContact CD1-CG2 4.47Å; M147-T151 VanDerWaalsContact O-CB 3.26Å; M147-T151 WeakPolarHBondContact O-CB 3.41Å; M147-T151 PolarHBondContact O-N 3.3Å; M147-T151 PolarHBondContact O-OG1 3.1Å; E149-T151 VanDerWaalsContact C-N 3.32Å; E149-T151 PolarHBondContact O-N 3.35Å; T151-Q153 VanDerWaalsContact C-N 3.32Å; T151-Q153 PolarHBondContact O-N 3.15Å; T151-I155 HydrophobicContact CG2-CD1 3.41Å; T151-I155 VanDerWaalsContact CG2-CD1 3.41Å; T151-I155 HydrophobicContact CG2-CG1 4.08Å; T151-I155 WeakPolarHBondContact O-CB 3.5Å; T151-I155 VanDerWaalsContact O-CG1 3.25Å; T151-I155 WeakPolarHBondContact O-CG1 3.22Å; T151-I155 PolarHBondContact O-N 3.42Å
152	K	88.8	Confident	85.2	Confident	137 Å²	137	88.2 Å²	88.2	60%	0.596	45%	0.454	S	S	*	.	H	α-helix	trans	-65.8	-35.3	176.9	-69.2	170.6	-174.8	173.4	0	113	K148 E149 A150	K148-K152 WeakPolarHBondContact O-CG 3.38Å; K148-K152 PolarHBondContact O-N 3.38Å; E149-K152 PolarHBondContact O-N 3.33Å; E149-K152 VanDerWaalsContact O-N 3.14Å; E149-K152 IonicContact OE2-NZ 2.86Å; A150-K152 VanDerWaalsContact C-N 3.33Å; A150-K152 PolarHBondContact O-N 2.8Å
153	Q	86.6	Confident	85.4	Confident	139 Å²	139	86.3 Å²	86.3	65%	0.65	44%	0.441	S	S	*	.	H	α-helix	trans	-80.1	-35.3	-176.7	-68.1	177.7	3.2	0	0	112.7	E149 A150 T151	E149-Q153 WeakPolarHBondContact O-CG 3.39Å; E149-Q153 PolarHBondContact O-N 3.48Å; E149-Q153 VanDerWaalsContact O-N 3.12Å; E149-Q153 PolarHBondContact OE1-NE2 3.03Å; A150-Q153 PolarHBondContact O-N 3.27Å; A150-Q153 VanDerWaalsContact O-N 3.15Å; T151-Q153 VanDerWaalsContact C-N 3.32Å; T151-Q153 PolarHBondContact O-N 3.15Å
154	L	82.1	Confident	85.7	Confident	50 Å²	50	79.8 Å²	79.8	26%	0.262	42%	0.419	S	S	.	.	H	α-helix	trans	-95.4	-29.9	-172.2	-68.2	171.6	0	0	0	113.3	I125 I128 A150 D156 L161	I125-L154 HydrophobicContact CG2-CD1 4.16Å; I128-L154 HydrophobicContact CB-CD1 4.16Å; I128-L154 HydrophobicContact CD1-CD1 4.49Å; I128-L154 HydrophobicContact CG2-CD1 3.73Å; I128-L154 HydrophobicContact CG2-CD2 4.17Å; A150-L154 HydrophobicContact CB-CD1 4.31Å; A150-L154 VanDerWaalsContact O-CB 3.26Å; A150-L154 WeakPolarHBondContact O-CB 3.45Å; A150-L154 WeakPolarHBondContact O-CG 3.28Å; A150-L154 PolarHBondContact O-N 2.84Å; L154-D156 PolarHBondContact O-N 3.21Å; L154-L161 HydrophobicContact CB-CD2 3.98Å; L154-L161 WeakPolarHBondContact O-CD2 3.26Å
155	I	73	Confident	85.9	Confident	70 Å²	70	80.6 Å²	80.6	36%	0.359	42%	0.424	S	S	.	.			trans	-75	93.7	-178.9	-64.5	-170.8	0	0	0	109.8	I125 T151 L157	I125-I155 HydrophobicContact CD1-CD1 3.77Å; I125-I155 HydrophobicContact CD1-CG1 3.69Å; T151-I155 HydrophobicContact CG2-CD1 3.41Å; T151-I155 VanDerWaalsContact CG2-CD1 3.41Å; T151-I155 HydrophobicContact CG2-CG1 4.08Å; T151-I155 WeakPolarHBondContact O-CB 3.5Å; T151-I155 VanDerWaalsContact O-CG1 3.25Å; T151-I155 WeakPolarHBondContact O-CG1 3.22Å; T151-I155 PolarHBondContact O-N 3.42Å; I155-L157 HydrophobicContact CG2-CD1 4.44Å; I155-L157 HydrophobicContact CG2-CD2 3.68Å; I155-L157 HydrophobicContact CG2-CG 3.59Å
156	D	76.8	Confident	86	Confident	81 Å²	81	77.4 Å²	77.4	43%	0.433	41%	0.406	S	S	.	.			trans	-108.6	95.3	149.7	179.7	-1.9	0	0	0	107.1	L154 S158 K159	L154-D156 PolarHBondContact O-N 3.21Å; D156-S158 PolarHBondContact O-N 3.02Å; D156-S158 VanDerWaalsContact OD1-CB 3.29Å; D156-S158 WeakPolarHBondContact OD1-CB 3.39Å; D156-S158 PolarHBondContact OD1-N 2.73Å; D156-S158 VanDerWaalsContact OD1-N 3.1Å; D156-S158 PolarHBondContact OD1-OG 2.94Å; D156-S158 PolarHBondContact OD2-OG 3.09Å; D156-K159 PolarHBondContact O-N 2.8Å; D156-K159 VanDerWaalsContact O-O 3.1Å
157	L	64.9	Low	86.3	Confident	154 Å²	154	74.8 Å²	74.8	81%	0.806	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-8.6	-177.7	-66.4	176.3	0	0	0	113.5	I155 K159	I155-L157 HydrophobicContact CG2-CD1 4.44Å; I155-L157 HydrophobicContact CG2-CD2 3.68Å; I155-L157 HydrophobicContact CG2-CG 3.59Å; L157-K159 PolarHBondContact O-N 2.82Å
158	S	70.3	Confident	86.6	Confident	89 Å²	89	74.8 Å²	74.8	62%	0.622	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-11.1	173.8	75.3	0	0	0	0	113.5	D156	D156-S158 PolarHBondContact O-N 3.02Å; D156-S158 VanDerWaalsContact OD1-CB 3.29Å; D156-S158 WeakPolarHBondContact OD1-CB 3.39Å; D156-S158 PolarHBondContact OD1-N 2.73Å; D156-S158 VanDerWaalsContact OD1-N 3.1Å; D156-S158 PolarHBondContact OD1-OG 2.94Å; D156-S158 PolarHBondContact OD2-OG 3.09Å
159	K	81	Confident	86.9	Confident	142 Å²	142	68.2 Å²	68.2	62%	0.617	37%	0.365	S	S	*	.	S	Bend	trans	-138.4	143.7	-175.4	-65.7	174.2	-170.7	164.2	0	112.1	D156 L157	D156-K159 PolarHBondContact O-N 2.8Å; D156-K159 VanDerWaalsContact O-O 3.1Å; L157-K159 PolarHBondContact O-N 2.82Å
160	P	84.8	Confident	87.3	Confident	106 Å²	106	64.7 Å²	64.7	69%	0.688	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-57.8	143.1	167	-21.8	33	0	0	0	111.2
161	L	88	Confident	87.7	Confident	14 Å²	14	64.9 Å²	64.9	7%	0.073	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-67	134.1	173.2	-69.3	176.8	0	0	0	110	F115 I121 Q124 I125 I128 L154 C163	F115-L161 HydrophobicContact CE1-CB 4.33Å; I121-L161 HydrophobicContact CG2-CD1 4.17Å; Q124-L161 HydrophobicContact CB-CD1 3.81Å; I125-L161 HydrophobicContact CG1-CD1 3.69Å; I128-L161 HydrophobicContact CD1-CB 3.89Å; I128-L161 HydrophobicContact CD1-CD1 4.18Å; I128-L161 HydrophobicContact CD1-CG 4.43Å; L154-L161 HydrophobicContact CB-CD2 3.98Å; L154-L161 WeakPolarHBondContact O-CD2 3.26Å; L161-C163 PolarHBondContact O-N 2.78Å
162	P	88.7	Confident	88.2	Confident	94 Å²	94	62.7 Å²	62.7	61%	0.61	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-67.1	134.2	178.9	28.1	-33.8	0	0	0	110.1	P164	P162-P164 WeakPolarHBondContact O-CD 3.33Å
163	C	93.7	Very high	88.6	Confident	14 Å²	14	60.1 Å²	60.1	10%	0.095	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-66.6	120.3	171.5	-174.9	0	0	0	0	109.2	R108 E112 F115 L161	R108-C163 PolarHBondContact NH2-O 2.85Å; E112-C163 HydrophobicContact CB-CB 4.35Å; E112-C163 HydrophobicContact CG-CB 3.87Å; F115-C163 HydrophobicContact CB-CB 3.98Å; F115-C163 VanDerWaalsContact CB-SG 3.6Å; F115-C163 VanDerWaalsContact CD1-CA 3.49Å; F115-C163 HydrophobicContact CD1-CB 3.62Å; F115-C163 HydrophobicContact CE1-CB 4.3Å; F115-C163 HydrophobicContact CG-CB 3.85Å; L161-C163 PolarHBondContact O-N 2.78Å
164	P	94	Very high	89.2	Confident	22 Å²	22	54.1 Å²	54.1	14%	0.143	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-76.9	156.5	-176.5	32.8	-36.4	0	0	0	112	R108 I128 P162 H166 V167	R108-P164 PolarHBondContact NH1-O 3.29Å; I128-P164 HydrophobicContact CG1-CB 4.48Å; I128-P164 HydrophobicContact CG1-CG 3.91Å; P162-P164 WeakPolarHBondContact O-CD 3.33Å; P164-H166 VanDerWaalsContact CB-CE1 3.44Å; P164-H166 WeakPolarHBondContact CB-CE1 3.27Å; P164-H166 PolarHBondContact O-N 3.13Å; P164-H166 VanDerWaalsContact O-N 3.13Å; P164-V167 HydrophobicContact CG-CB 4.49Å; P164-V167 HydrophobicContact CG-CG2 3.63Å; P164-V167 PolarHBondContact O-N 3.43Å
165	D	95	Very high	89.9	Confident	130 Å²	130	56 Å²	56	70%	0.695	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-17.5	-177.1	-67.7	-18.7	0	0	0	114.3	K70 V167	K70-D165 WeakPolarHBondContact CD-O 3.38Å; K70-D165 WeakPolarHBondContact CE-O 3.46Å; K70-D165 PolarHBondContact NZ-O 3.07Å; D165-V167 VanDerWaalsContact C-N 3.33Å
166	H	95.5	Very high	91.1	Very high	21 Å²	21	54.7 Å²	54.7	10%	0.097	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-2.1	177	63.3	-97.6	0	0	0	113.7	N69 K70 T127 S131 P164	N69-H166 CarbonylContact C-O 3.59Å; N69-H166 WeakPolarHBondContact CA-O 3.34Å; N69-H166 PolarHBondContact ND2-CD2 3.07Å; K70-H166 HydrophobicContact CD-CB 4.4Å; K70-H166 HydrophobicContact CG-CB 4.18Å; K70-H166 PolarHBondContact N-O 2.85Å; T127-H166 PolarHBondContact O-NE2 2.95Å; S131-H166 VanDerWaalsContact CB-CE1 3.49Å; S131-H166 WeakPolarHBondContact CB-CE1 3.3Å; S131-H166 WeakPolarHBondContact CB-ND1 3.45Å; P164-H166 VanDerWaalsContact CB-CE1 3.44Å; P164-H166 WeakPolarHBondContact CB-CE1 3.27Å; P164-H166 PolarHBondContact O-N 3.13Å; P164-H166 VanDerWaalsContact O-N 3.13Å
167	V	97.1	Very high	92.2	Very high	9 Å²	9	50.9 Å²	50.9	6%	0.055	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	127.6	170.7	176.9	0	0	0	0	109.4	C67 T68 R108 V111 F115 T127 P164 D165	C67-V167 HydrophobicContact CB-CG1 4.13Å; T68-V167 WeakPolarHBondContact O-CA 3.46Å; R108-V167 PolarHBondContact NH1-O 3.09Å; V111-V167 HydrophobicContact CG1-CB 4.37Å; V111-V167 HydrophobicContact CG1-CG1 3.57Å; F115-V167 HydrophobicContact CD2-CG2 4.44Å; T127-V167 HydrophobicContact CG2-CG2 3.26Å; P164-V167 HydrophobicContact CG-CB 4.49Å; P164-V167 HydrophobicContact CG-CG2 3.63Å; P164-V167 PolarHBondContact O-N 3.43Å; D165-V167 VanDerWaalsContact C-N 3.33Å
168	I	97.5	Very high	93.8	Very high	19 Å²	19	44.2 Å²	44.2	10%	0.097	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	149.3	174.5	-173.8	165.9	0	0	0	108.2	C67 T68 K70 E105 Y170	C67-I168 CarbonylContact C-O 3.55Å; C67-I168 WeakPolarHBondContact CA-O 3.26Å; T68-I168 HydrophobicContact CG2-CG2 3.89Å; T68-I168 PolarHBondContact N-O 3.29Å; T68-I168 PolarHBondContact O-N 2.98Å; K70-I168 HydrophobicContact CB-CB 4.12Å; K70-I168 HydrophobicContact CB-CG2 3.92Å; E105-I168 VanDerWaalsContact CD-CD1 3.46Å; E105-I168 HydrophobicContact CG-CD1 3.86Å; E105-I168 HydrophobicContact CG-CG1 3.95Å; I168-Y170 HydrophobicContact CD1-CE2 4.37Å; I168-Y170 HydrophobicContact CG1-CE2 4.22Å; I168-Y170 HydrophobicContact CG2-CE2 3.86Å
169	G	97.8	Very high	95.1	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	152.7	176.4	0	0	0	0	0	111.7	F66 L106	F66-G169 WeakPolarHBondContact O-CA 3.33Å; L106-G169 PolarHBondContact N-O 3.17Å
170	Y	98.6	Very high	95.9	Very high	12 Å²	12	33.3 Å²	33.3	5%	0.047	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	142.6	177.1	-65.8	-84.7	0	0	0	110.5	H65 F66 T68 L78 V103 Q104 I168	H65-Y170 WeakPolarHBondContact CA-O 3.23Å; F66-Y170 HydrophobicContact CD2-CD2 4.41Å; F66-Y170 VanDerWaalsContact CE1-CB 3.49Å; F66-Y170 HydrophobicContact CE1-CG 4.42Å; F66-Y170 AromaticContact CE2-CD2 3.71Å; F66-Y170 HydrophobicContact CE2-CD2 3.71Å; F66-Y170 HydrophobicContact CE2-CG 4.16Å; F66-Y170 VanDerWaalsContact CZ-CB 3.43Å; F66-Y170 AromaticContact CZ-CD2 3.92Å; F66-Y170 HydrophobicContact CZ-CD2 3.92Å; F66-Y170 AromaticContact CZ-CG 3.88Å; F66-Y170 HydrophobicContact CZ-CG 3.88Å; F66-Y170 PolarHBondContact N-O 3.36Å; F66-Y170 PolarHBondContact O-N 2.96Å; T68-Y170 HydrophobicContact CG2-CD2 4.34Å; T68-Y170 HydrophobicContact CG2-CE2 3.93Å; L78-Y170 HydrophobicContact CB-CE1 4.04Å; L78-Y170 HydrophobicContact CD1-CD1 4.17Å; L78-Y170 HydrophobicContact CD1-CD2 3.99Å; L78-Y170 HydrophobicContact CD1-CE1 4.06Å; L78-Y170 HydrophobicContact CD1-CE2 3.89Å; L78-Y170 HydrophobicContact CD1-CG 4.13Å; V103-Y170 HydrophobicContact CB-CD1 4.15Å; V103-Y170 HydrophobicContact CG2-CD1 4.07Å; V103-Y170 HydrophobicContact CG2-CE1 4.45Å; Q104-Y170 CarbonylContact O-C 3.57Å; Q104-Y170 VanDerWaalsContact O-CA 3.25Å; Q104-Y170 WeakPolarHBondContact O-CA 3.48Å; I168-Y170 HydrophobicContact CD1-CE2 4.37Å; I168-Y170 HydrophobicContact CG1-CE2 4.22Å; I168-Y170 HydrophobicContact CG2-CE2 3.86Å
171	L	98.6	Very high	96.5	Very high	14 Å²	14	29 Å²	29	7%	0.073	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	117.4	161.3	167.9	61.1	0	0	0	108	S62 F64 V103 Q104 L106 K173	S62-L171 WeakPolarHBondContact OG-CD1 3.41Å; S62-L171 WeakPolarHBondContact OG-CD2 3.49Å; F64-L171 CarbonylContact O-C 3.6Å; F64-L171 WeakPolarHBondContact O-CA 3.15Å; V103-L171 CarbonylContact C-O 3.49Å; V103-L171 VanDerWaalsContact CA-O 3.28Å; V103-L171 WeakPolarHBondContact CA-O 3.35Å; Q104-L171 PolarHBondContact N-O 3.43Å; Q104-L171 PolarHBondContact O-N 3.17Å; L106-L171 HydrophobicContact CD2-CB 3.82Å; L106-L171 HydrophobicContact CG-CB 4.47Å; L171-K173 HydrophobicContact CD2-CD 4.42Å; L171-K173 HydrophobicContact CD2-CG 3.9Å; L171-K173 HydrophobicContact CG-CG 3.93Å
172	L	98.8	Very high	96.8	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	111.9	164.3	-171	155.3	0	0	0	108.9	G63 F64 F66 A84 M86 V99 V103	G63-L172 WeakPolarHBondContact CA-O 3.35Å; F64-L172 HydrophobicContact CB-CB 4.47Å; F64-L172 HydrophobicContact CD2-CD2 4.35Å; F64-L172 PolarHBondContact N-O 3.48Å; F64-L172 PolarHBondContact O-N 3.01Å; F66-L172 HydrophobicContact CE1-CB 4.47Å; A84-L172 HydrophobicContact CB-CD1 3.86Å; M86-L172 HydrophobicContact CE-CB 3.46Å; M86-L172 VanDerWaalsContact CE-CB 3.46Å; M86-L172 HydrophobicContact CE-CD1 3.69Å; M86-L172 HydrophobicContact CE-CG 4.18Å; M86-L172 HydrophobicContact CG-CD1 3.74Å; M86-L172 HydrophobicContact SD-CB 4.05Å; M86-L172 HydrophobicContact SD-CD1 3.83Å; M86-L172 HydrophobicContact SD-CG 4.38Å; V99-L172 HydrophobicContact CB-CD2 4.41Å; V99-L172 HydrophobicContact CG1-CD2 3.45Å; V99-L172 VanDerWaalsContact CG1-CD2 3.45Å; V103-L172 HydrophobicContact CG1-CB 4.25Å; V103-L172 HydrophobicContact CG1-CD1 4.32Å; V103-L172 HydrophobicContact CG1-CG 4.32Å
173	K	98.4	Very high	96.9	Very high	83 Å²	83	29 Å²	29	36%	0.361	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	118.3	173.4	-66.5	-171.3	174.4	174.5	0	109.6	G101 I102 L171	G101-K173 VanDerWaalsContact CA-O 3.28Å; G101-K173 WeakPolarHBondContact CA-O 3.49Å; I102-K173 PolarHBondContact N-O 3.1Å; I102-K173 PolarHBondContact O-N 3.31Å; L171-K173 HydrophobicContact CD2-CD 4.42Å; L171-K173 HydrophobicContact CD2-CG 3.9Å; L171-K173 HydrophobicContact CG-CG 3.93Å
174	P	98.4	Very high	96.6	Very high	13 Å²	13	33.2 Å²	33.2	8%	0.084	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	133.3	-177.1	27.7	-33.7	0	0	0	111.3	M17 S62 F64 V99 V177 W214	M17-P174 HydrophobicContact SD-CG 4.19Å; S62-P174 WeakPolarHBondContact O-CD 3.38Å; F64-P174 HydrophobicContact CE2-CB 4.45Å; V99-P174 HydrophobicContact CG1-CB 3.77Å; P174-V177 HydrophobicContact CB-CG2 3.6Å; P174-W214 HydrophobicContact CB-CH2 4.06Å; P174-W214 HydrophobicContact CB-CZ2 4.43Å; P174-W214 HydrophobicContact CG-CH2 4.3Å; P174-W214 HydrophobicContact CG-CZ2 4.16Å; P174-W214 VanDerWaalsContact O-CH2 3.27Å; P174-W214 WeakPolarHBondContact O-CH2 3.26Å
175	E	97.6	Very high	96.4	Very high	88 Å²	88	37.7 Å²	37.7	41%	0.411	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	-33.5	167	-66	-177.3	139.3	0	0	110.9	N100 R194 K195 W214	N100-E175 PolarHBondContact O-N 3.01Å; E175-R194 WeakPolarHBondContact O-CA 3.42Å; E175-K195 PolarHBondContact O-N 3.22Å; E175-W214 WeakPolarHBondContact O-CZ3 3.39Å
176	V	98.3	Very high	95.8	Very high	44 Å²	44	41.6 Å²	41.6	27%	0.267	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	132.7	174.7	-176.2	0	0	0	0	109	V99 N100 R192 F193 R194	V99-V176 WeakPolarHBondContact CA-O 3.13Å; N100-V176 HydrophobicContact CB-CB 4.41Å; N100-V176 PolarHBondContact N-O 3.23Å; N100-V176 PolarHBondContact O-N 3.44Å; N100-V176 VanDerWaalsContact O-N 3.09Å; V176-R192 HydrophobicContact CG1-CG 3.74Å; V176-F193 CarbonylContact C-O 3.55Å; V176-F193 WeakPolarHBondContact CA-O 3.41Å; V176-R194 HydrophobicContact CG2-CB 4.07Å
177	V	98.7	Very high	95.6	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	121.3	174.4	-169.6	0	0	0	0	109.3	P16 V97 R98 V99 P174 F179 R192 F193 W214	P16-V177 HydrophobicContact CB-CB 3.8Å; P16-V177 HydrophobicContact CB-CG1 4.18Å; P16-V177 HydrophobicContact CB-CG2 3.76Å; P16-V177 HydrophobicContact CG-CG2 4.1Å; V97-V177 HydrophobicContact CG1-CG1 3.72Å; R98-V177 CarbonylContact O-C 3.57Å; R98-V177 WeakPolarHBondContact O-CA 3.4Å; V99-V177 HydrophobicContact CG1-CG2 4.28Å; V99-V177 HydrophobicContact CG2-CG1 4.24Å; P174-V177 HydrophobicContact CB-CG2 3.6Å; V177-F179 HydrophobicContact CB-CE2 4.11Å; V177-F179 HydrophobicContact CG1-CD2 4.08Å; V177-F179 HydrophobicContact CG1-CE2 3.37Å; V177-F179 HydrophobicContact CG1-CZ 3.68Å; V177-R192 CarbonylContact O-C 3.54Å; V177-R192 WeakPolarHBondContact O-CA 3.46Å; V177-F193 HydrophobicContact CB-CB 4.47Å; V177-F193 PolarHBondContact N-O 2.9Å; V177-F193 PolarHBondContact O-N 3.11Å; V177-W214 HydrophobicContact CG2-CH2 4.48Å
178	E	98.6	Very high	95.4	Very high	13 Å²	13	42.6 Å²	42.6	6%	0.061	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	126.7	176.4	-174.2	-173.2	176.6	0	0	110	V97 R98 C180 R190 I191 L219	V97-E178 CarbonylContact C-O 3.57Å; V97-E178 WeakPolarHBondContact CA-O 3.49Å; R98-E178 HydrophobicContact CB-CB 4.3Å; R98-E178 IonicContact CZ-OE2 3.85Å; R98-E178 PolarHBondContact N-O 2.88Å; R98-E178 IonicContact NH1-OE2 3.77Å; R98-E178 PolarHBondContact NH1-OE2 3.41Å; R98-E178 PolarHBondContact O-N 2.84Å; E178-C180 PolarHBondContact OE1-SG 3.45Å; E178-C180 VanDerWaalsContact OE1-SG 3.39Å; E178-R190 IonicContact OE1-CZ 2.92Å; E178-R190 IonicContact OE1-NE 3.94Å; E178-R190 PolarHBondContact OE1-NE 3.45Å; E178-R190 IonicContact OE1-NH2 3.74Å; E178-R190 PolarHBondContact OE1-NH2 3.39Å; E178-I191 CarbonylContact C-O 3.59Å; E178-I191 WeakPolarHBondContact CA-O 3.49Å; E178-L219 HydrophobicContact CG-CD1 4.31Å
179	F	98.6	Very high	95.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	121.2	174.3	-66.7	-92.8	0	0	0	108.6	L6 P16 L19 F20 W23 V97 V177 R190 I191 F193	L6-F179 HydrophobicContact CD2-CB 3.76Å; L6-F179 WeakPolarHBondContact CD2-O 3.44Å; P16-F179 HydrophobicContact CB-CE2 4.07Å; P16-F179 HydrophobicContact CB-CZ 4.44Å; P16-F179 WeakPolarHBondContact O-CZ 3.37Å; L19-F179 HydrophobicContact CB-CE1 4.09Å; L19-F179 HydrophobicContact CB-CE2 4.37Å; L19-F179 HydrophobicContact CB-CZ 3.91Å; L19-F179 HydrophobicContact CD2-CB 4.37Å; L19-F179 HydrophobicContact CD2-CD1 3.81Å; L19-F179 HydrophobicContact CD2-CD2 3.72Å; L19-F179 HydrophobicContact CD2-CE1 3.98Å; L19-F179 HydrophobicContact CD2-CE2 3.88Å; L19-F179 HydrophobicContact CD2-CG 3.69Å; L19-F179 HydrophobicContact CD2-CZ 4.01Å; L19-F179 HydrophobicContact CG-CD1 3.88Å; L19-F179 HydrophobicContact CG-CD2 4.49Å; L19-F179 HydrophobicContact CG-CE1 3.7Å; L19-F179 HydrophobicContact CG-CE2 4.32Å; L19-F179 HydrophobicContact CG-CG 4.29Å; L19-F179 HydrophobicContact CG-CZ 3.94Å; F20-F179 HydrophobicContact CB-CE1 4.22Å; F20-F179 HydrophobicContact CB-CZ 4.15Å; W23-F179 AromaticContact CD2-CD1 3.96Å; W23-F179 HydrophobicContact CD2-CD1 3.96Å; W23-F179 AromaticContact CE3-CD1 3.77Å; W23-F179 HydrophobicContact CE3-CD1 3.77Å; W23-F179 HydrophobicContact CH2-CB 3.75Å; W23-F179 HydrophobicContact CH2-CD1 4.17Å; W23-F179 HydrophobicContact CH2-CG 4.48Å; W23-F179 HydrophobicContact CZ2-CB 4.22Å; W23-F179 HydrophobicContact CZ2-CD1 4.32Å; W23-F179 HydrophobicContact CZ3-CB 4.03Å; W23-F179 AromaticContact CZ3-CD1 3.87Å; W23-F179 HydrophobicContact CZ3-CD1 3.87Å; W23-F179 HydrophobicContact CZ3-CG 4.47Å; V97-F179 HydrophobicContact CG1-CD1 4.28Å; V97-F179 HydrophobicContact CG1-CE1 3.99Å; V97-F179 HydrophobicContact CG1-CZ 4.26Å; V97-F179 HydrophobicContact CG2-CD1 3.73Å; V97-F179 HydrophobicContact CG2-CE1 3.79Å; V177-F179 HydrophobicContact CB-CE2 4.11Å; V177-F179 HydrophobicContact CG1-CD2 4.08Å; V177-F179 HydrophobicContact CG1-CE2 3.37Å; V177-F179 HydrophobicContact CG1-CZ 3.68Å; F179-R190 WeakPolarHBondContact O-CA 3.28Å; F179-I191 PolarHBondContact N-O 2.74Å; F179-I191 PolarHBondContact O-N 3Å; F179-F193 AromaticContact CD2-CD2 3.84Å; F179-F193 HydrophobicContact CD2-CD2 3.84Å; F179-F193 AromaticContact CD2-CE2 3.91Å; F179-F193 HydrophobicContact CD2-CE2 3.91Å; F179-F193 AromaticContact CE2-CD2 3.73Å; F179-F193 HydrophobicContact CE2-CD2 3.73Å; F179-F193 AromaticContact CE2-CE2 3.86Å; F179-F193 HydrophobicContact CE2-CE2 3.86Å
180	C	98	Very high	95.4	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.02	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	125.4	174.5	-52.4	0	0	0	0	109.6	W23 K95 Q96 E178 Y182 D189 R190	W23-C180 WeakPolarHBondContact CZ3-O 3.28Å; K95-C180 WeakPolarHBondContact CA-O 3.28Å; Q96-C180 HydrophobicContact CB-CB 4.25Å; Q96-C180 PolarHBondContact N-O 3.41Å; Q96-C180 PolarHBondContact O-N 3.23Å; E178-C180 PolarHBondContact OE1-SG 3.45Å; E178-C180 VanDerWaalsContact OE1-SG 3.39Å; C180-Y182 HydrophobicContact CB-CE2 4.31Å; C180-D189 CarbonylContact C-O 3.57Å; C180-D189 WeakPolarHBondContact CA-O 3.37Å; C180-R190 HydrophobicContact CB-CG 4.27Å
181	Y	96.7	Very high	95.4	Very high	16 Å²	16	44.6 Å²	44.6	6%	0.063	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	107.8	172.1	-178.5	-163.2	0	0	0	109.9	A2 G4 L6 R94 K95 S188 D189	A2-Y181 WeakPolarHBondContact CB-OH 3.37Å; A2-Y181 PolarHBondContact O-OH 3.33Å; G4-Y181 WeakPolarHBondContact O-CE1 3.44Å; L6-Y181 HydrophobicContact CB-CD1 4.46Å; R94-Y181 HydrophobicContact CB-CE2 4.47Å; R94-Y181 WeakPolarHBondContact O-CD2 3.37Å; K95-Y181 HydrophobicContact CG-CD2 3.91Å; K95-Y181 HydrophobicContact CG-CG 4.3Å; Y181-S188 WeakPolarHBondContact O-CA 3.47Å; Y181-D189 PolarHBondContact N-O 2.69Å; Y181-D189 PolarHBondContact O-N 2.9Å
182	Y	95.1	Very high	95.4	Very high	77 Å²	77	47.7 Å²	47.7	30%	0.302	22%	0.224	S	C	.	.			trans	-77.2	131.6	-175.9	-62.5	-82.4	0	0	0	112	Y89 R94 Q96 C180	Y89-Y182 HydrophobicContact CD2-CE2 4.36Å; Y89-Y182 HydrophobicContact CE2-CD2 4.13Å; Y89-Y182 AromaticContact CE2-CE2 3.95Å; Y89-Y182 HydrophobicContact CE2-CE2 3.95Å; R94-Y182 PolarHBondContact NE-O 3.28Å; R94-Y182 WeakPolarHBondContact O-CD2 3.48Å; R94-Y182 PolarHBondContact O-N 2.74Å; Q96-Y182 HydrophobicContact CB-CE2 3.81Å; Q96-Y182 PolarHBondContact NE2-OH 2.84Å; C180-Y182 HydrophobicContact CB-CE2 4.31Å
183	K	90.5	Very high	95.4	Very high	31 Å²	31	47.7 Å²	47.7	14%	0.135	22%	0.224	C	C	.	.			trans	-107.5	165.5	-179.9	-55.8	-57.1	-172.5	-170.4	0	112	G4 R94 D185 Y186 A187 D189	G4-K183 PolarHBondContact O-NZ 3.38Å; R94-K183 PolarHBondContact NH2-O 2.9Å; K183-D185 VanDerWaalsContact C-N 3.32Å; K183-D185 WeakPolarHBondContact CB-OD1 3.44Å; K183-Y186 PolarHBondContact O-N 3Å; K183-A187 VanDerWaalsContact CG-O 3.27Å; K183-A187 WeakPolarHBondContact CG-O 3.37Å; K183-D189 VanDerWaalsContact CE-CG 3.49Å; K183-D189 WeakPolarHBondContact CE-OD2 3.48Å; K183-D189 IonicContact NZ-OD2 3.32Å; K183-D189 PolarHBondContact NZ-OD2 3.49Å
184	D	87.6	Confident	95.4	Very high	102 Å²	102	45.6 Å²	45.6	55%	0.545	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-31	178.6	-69.8	-44.5	0	0	0	113.7	R94 Y186	R94-D184 IonicContact CZ-OD1 3.93Å; R94-D184 VanDerWaalsContact NH1-CG 3.32Å; R94-D184 IonicContact NH1-OD1 3.52Å; R94-D184 PolarHBondContact NH1-OD1 3.12Å; R94-D184 IonicContact NH1-OD2 2.8Å; R94-D184 IonicContact NH2-OD1 2.81Å; R94-D184 PolarHBondContact NH2-OD1 2.98Å; D184-Y186 PolarHBondContact O-N 3.38Å
185	D	88.8	Confident	95.2	Very high	116 Å²	116	49 Å²	49	62%	0.62	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	6.9	177.2	63.7	0.8	0	0	0	113.5	K183 A187	K183-D185 VanDerWaalsContact C-N 3.32Å; K183-D185 WeakPolarHBondContact CB-OD1 3.44Å; D185-A187 PolarHBondContact O-N 3.42Å; D185-A187 VanDerWaalsContact O-N 3.09Å; D185-A187 WeakPolarHBondContact OD1-CB 3.38Å; D185-A187 PolarHBondContact OD1-N 2.96Å
186	Y	83.4	Confident	94.9	Very high	212 Å²	212	46.7 Å²	46.7	83%	0.831	22%	0.224	S	C	*	.	S	Bend	trans	63.7	-1	-174.5	-56.7	-89.5	0	0	0	115.3	K183 D184 S188	K183-Y186 PolarHBondContact O-N 3Å; D184-Y186 PolarHBondContact O-N 3.38Å; Y186-S188 PolarHBondContact O-N 3.45Å; Y186-S188 VanDerWaalsContact O-N 3.07Å
187	A	90.7	Very high	94.7	Very high	42 Å²	42	50 Å²	50	35%	0.347	24%	0.24	S	C	.	.			trans	-83	81.8	173	0	0	0	0	0	109.4	K183 D185 P221	K183-A187 VanDerWaalsContact CG-O 3.27Å; K183-A187 WeakPolarHBondContact CG-O 3.37Å; D185-A187 PolarHBondContact O-N 3.42Å; D185-A187 VanDerWaalsContact O-N 3.09Å; D185-A187 WeakPolarHBondContact OD1-CB 3.38Å; D185-A187 PolarHBondContact OD1-N 2.96Å; A187-P221 HydrophobicContact CB-CG 4.04Å
188	S	93.3	Very high	94.4	Very high	8 Å²	8	55.4 Å²	55.4	6%	0.056	29%	0.285	C	S	.	.			trans	-66.1	137.6	179.9	59.5	0	0	0	0	112.5	Y181 Y186 P221	Y181-S188 WeakPolarHBondContact O-CA 3.47Å; Y186-S188 PolarHBondContact O-N 3.45Å; Y186-S188 VanDerWaalsContact O-N 3.07Å; S188-P221 WeakPolarHBondContact O-CG 3.38Å
189	D	96.9	Very high	94	Very high	18 Å²	18	58.6 Å²	58.6	10%	0.096	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	130.5	167.7	-68.7	-28.2	0	0	0	109.2	L6 C180 Y181 K183	L6-D189 HydrophobicContact CB-CB 3.72Å; L6-D189 HydrophobicContact CD2-CB 4.48Å; L6-D189 HydrophobicContact CG-CB 4.48Å; L6-D189 PolarHBondContact N-OD2 2.92Å; L6-D189 VanDerWaalsContact O-CB 3.3Å; L6-D189 WeakPolarHBondContact O-CB 3.38Å; C180-D189 CarbonylContact C-O 3.57Å; C180-D189 WeakPolarHBondContact CA-O 3.37Å; Y181-D189 PolarHBondContact N-O 2.69Å; Y181-D189 PolarHBondContact O-N 2.9Å; K183-D189 VanDerWaalsContact CE-CG 3.49Å; K183-D189 WeakPolarHBondContact CE-OD2 3.48Å; K183-D189 IonicContact NZ-OD2 3.32Å; K183-D189 PolarHBondContact NZ-OD2 3.49Å
190	R	97.9	Very high	93.8	Very high	56 Å²	56	61.4 Å²	61.4	21%	0.211	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	119.1	-176.4	-64.4	175.2	65.1	-166.2	-0.7	111	E178 F179 C180 R218 L219 Q220 P221	E178-R190 IonicContact OE1-CZ 2.92Å; E178-R190 IonicContact OE1-NE 3.94Å; E178-R190 PolarHBondContact OE1-NE 3.45Å; E178-R190 IonicContact OE1-NH2 3.74Å; E178-R190 PolarHBondContact OE1-NH2 3.39Å; F179-R190 WeakPolarHBondContact O-CA 3.28Å; C180-R190 HydrophobicContact CB-CG 4.27Å; R190-R218 WeakPolarHBondContact O-CA 3.26Å; R190-L219 HydrophobicContact CB-CB 3.8Å; R190-L219 PolarHBondContact O-N 3.07Å; R190-Q220 WeakPolarHBondContact CD-O 3.4Å; R190-Q220 PolarHBondContact NH1-O 3.05Å; R190-P221 WeakPolarHBondContact CD-OXT 3.34Å; R190-P221 PolarHBondContact NH1-OXT 3.21Å
191	I	98.3	Very high	93.6	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	126.7	175.3	-62.2	-65.4	0	0	0	108.9	L6 E8 C11 E178 F179 F193 L216 R218	L6-I191 HydrophobicContact CD1-CG1 4.13Å; L6-I191 HydrophobicContact CD2-CB 4.11Å; L6-I191 HydrophobicContact CD2-CG1 3.86Å; L6-I191 HydrophobicContact CG-CB 4.35Å; L6-I191 HydrophobicContact CG-CG1 3.65Å; E8-I191 HydrophobicContact CB-CD1 4.32Å; C11-I191 HydrophobicContact CB-CG2 4.24Å; E178-I191 CarbonylContact C-O 3.59Å; E178-I191 WeakPolarHBondContact CA-O 3.49Å; F179-I191 PolarHBondContact N-O 2.74Å; F179-I191 PolarHBondContact O-N 3Å; I191-F193 HydrophobicContact CG2-CD2 4.11Å; I191-F193 HydrophobicContact CG2-CE2 3.74Å; I191-F193 HydrophobicContact CG2-CZ 4.42Å; I191-L216 HydrophobicContact CG2-CB 4.28Å; I191-L216 HydrophobicContact CG2-CD1 4.17Å; I191-R218 HydrophobicContact CD1-CB 3.93Å; I191-R218 HydrophobicContact CD1-CG 4.25Å
192	R	98.6	Very high	93.5	Very high	78 Å²	78	67.7 Å²	67.7	29%	0.294	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	122.8	174.9	177.2	173.3	70.5	-170.6	2.9	109.5	V176 V177 L216 E217 L219	V176-R192 HydrophobicContact CG1-CG 3.74Å; V177-R192 CarbonylContact O-C 3.54Å; V177-R192 WeakPolarHBondContact O-CA 3.46Å; R192-L216 CarbonylContact O-C 3.56Å; R192-L216 WeakPolarHBondContact O-CA 3.39Å; R192-E217 HydrophobicContact CB-CG 4.06Å; R192-E217 IonicContact CZ-OE1 3.59Å; R192-E217 IonicContact CZ-OE2 2.73Å; R192-E217 PolarHBondContact N-O 3.37Å; R192-E217 VanDerWaalsContact NE-CD 3.34Å; R192-E217 IonicContact NE-OE1 2.64Å; R192-E217 PolarHBondContact NE-OE1 2.63Å; R192-E217 IonicContact NE-OE2 3.23Å; R192-E217 IonicContact NH2-OE1 3.36Å; R192-E217 PolarHBondContact NH2-OE1 3.09Å; R192-E217 IonicContact NH2-OE2 2.86Å; R192-E217 PolarHBondContact NH2-OE2 3.19Å; R192-E217 PolarHBondContact O-N 3.14Å; R192-L219 HydrophobicContact CB-CD1 3.95Å; R192-L219 HydrophobicContact CB-CD2 4.47Å; R192-L219 HydrophobicContact CB-CG 4.18Å
193	F	98.5	Very high	93.5	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	137.4	162.8	-67.5	-98.5	0	0	0	109.2	C11 P16 L19 V176 V177 F179 I191 W214 V215 L216	C11-F193 HydrophobicContact CB-CE2 4.41Å; C11-F193 HydrophobicContact CB-CZ 3.8Å; P16-F193 HydrophobicContact CB-CB 3.94Å; P16-F193 HydrophobicContact CB-CD1 4.32Å; P16-F193 HydrophobicContact CB-CD2 4.05Å; P16-F193 HydrophobicContact CB-CG 3.85Å; P16-F193 HydrophobicContact CG-CB 4.12Å; P16-F193 HydrophobicContact CG-CD1 4.48Å; P16-F193 HydrophobicContact CG-CG 4.3Å; L19-F193 HydrophobicContact CD2-CE2 3.91Å; L19-F193 HydrophobicContact CD2-CZ 4.4Å; V176-F193 CarbonylContact C-O 3.55Å; V176-F193 WeakPolarHBondContact CA-O 3.41Å; V177-F193 HydrophobicContact CB-CB 4.47Å; V177-F193 PolarHBondContact N-O 2.9Å; V177-F193 PolarHBondContact O-N 3.11Å; F179-F193 AromaticContact CD2-CD2 3.84Å; F179-F193 HydrophobicContact CD2-CD2 3.84Å; F179-F193 AromaticContact CD2-CE2 3.91Å; F179-F193 HydrophobicContact CD2-CE2 3.91Å; F179-F193 AromaticContact CE2-CD2 3.73Å; F179-F193 HydrophobicContact CE2-CD2 3.73Å; F179-F193 AromaticContact CE2-CE2 3.86Å; F179-F193 HydrophobicContact CE2-CE2 3.86Å; I191-F193 HydrophobicContact CG2-CD2 4.11Å; I191-F193 HydrophobicContact CG2-CE2 3.74Å; I191-F193 HydrophobicContact CG2-CZ 4.42Å; F193-W214 HydrophobicContact CB-CE3 3.9Å; F193-W214 HydrophobicContact CB-CZ3 4.25Å; F193-W214 HydrophobicContact CD1-CB 4.49Å; F193-V215 WeakPolarHBondContact CA-O 3.22Å; F193-L216 HydrophobicContact CD1-CB 3.84Å; F193-L216 HydrophobicContact CD1-CD2 4.28Å; F193-L216 HydrophobicContact CE1-CB 3.95Å; F193-L216 HydrophobicContact CE1-CD2 3.59Å; F193-L216 HydrophobicContact CE1-CG 4.42Å; F193-L216 HydrophobicContact CG-CB 4.2Å; F193-L216 HydrophobicContact CZ-CB 4.39Å; F193-L216 HydrophobicContact CZ-CD2 3.99Å
194	R	97.9	Very high	93.7	Very high	39 Å²	39	70.9 Å²	70.9	15%	0.147	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	164.9	170.7	61.2	175.8	174.2	80.2	-0.2	110.7	E175 V176 E200 V215 E217	E175-R194 WeakPolarHBondContact O-CA 3.42Å; V176-R194 HydrophobicContact CG2-CB 4.07Å; R194-E200 IonicContact CZ-OE1 3.21Å; R194-E200 IonicContact CZ-OE2 2.75Å; R194-E200 IonicContact NH1-OE1 3.66Å; R194-E200 PolarHBondContact NH1-OE1 3.15Å; R194-E200 IonicContact NH1-OE2 3.93Å; R194-E200 PolarHBondContact NH1-OE2 3.35Å; R194-E200 IonicContact NH2-OE1 2.71Å; R194-E200 PolarHBondContact NH2-OE1 3.36Å; R194-E200 IonicContact NH2-OE2 3.28Å; R194-E200 PolarHBondContact NH2-OE2 2.88Å; R194-V215 HydrophobicContact CG-CG2 3.87Å; R194-V215 PolarHBondContact N-O 3.12Å; R194-V215 WeakPolarHBondContact O-CG2 3.49Å; R194-V215 PolarHBondContact O-N 2.82Å; R194-E217 IonicContact CZ-OE1 3.53Å; R194-E217 IonicContact NE-OE1 3.47Å; R194-E217 PolarHBondContact NE-OE1 2.93Å
195	K	94.8	Very high	94	Very high	84 Å²	84	73.2 Å²	73.2	37%	0.365	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	139.1	168.2	-59.3	-58	-173.4	178.8	0	109.7	E175 S213 W214	E175-K195 PolarHBondContact O-N 3.22Å; K195-S213 VanDerWaalsContact CD-OG 3.24Å; K195-S213 WeakPolarHBondContact CD-OG 3.34Å; K195-S213 PolarHBondContact NZ-OG 3.45Å; K195-W214 HydrophobicContact CD-CD2 4.16Å; K195-W214 HydrophobicContact CD-CE3 4.19Å; K195-W214 HydrophobicContact CD-CH2 4.29Å; K195-W214 HydrophobicContact CD-CZ2 4.27Å; K195-W214 HydrophobicContact CD-CZ3 4.26Å; K195-W214 VanDerWaalsContact CE-CZ2 3.48Å
196	A	92.7	Very high	94.3	Very high	41 Å²	41	72.6 Å²	72.6	34%	0.339	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-66.5	138.2	173.5	0	0	0	0	0	109.9	E200 S213 V215	A196-E200 WeakPolarHBondContact CA-OE2 3.43Å; A196-S213 PolarHBondContact N-O 3.47Å; A196-V215 HydrophobicContact CB-CG1 3.83Å; A196-V215 HydrophobicContact CB-CG2 4.29Å
197	D	93	Very high	95	Very high	113 Å²	113	63.1 Å²	63.1	60%	0.604	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-72.9	159.2	170.6	-71.9	-36.7	0	0	0	110.6	G199 E200	D197-G199 PolarHBondContact O-N 3.1Å; D197-G199 VanDerWaalsContact O-N 3.12Å; D197-E200 HydrophobicContact CB-CB 4.25Å; D197-E200 PolarHBondContact N-OE2 2.6Å; D197-E200 VanDerWaalsContact N-OE2 3.11Å; D197-E200 VanDerWaalsContact O-CB 3.27Å; D197-E200 WeakPolarHBondContact O-CB 3.34Å; D197-E200 PolarHBondContact O-N 3.39Å
198	A	91.8	Very high	95.4	Very high	115 Å²	115	62.5 Å²	62.5	95%	0.95	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	119.6	178.8	0	0	0	0	0	110.9	E200	A198-E200 VanDerWaalsContact C-N 3.33Å
199	G	91.6	Very high	95.5	Very high	79 Å²	79	64 Å²	64	81%	0.814	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.9	-1.9	-178.9	0	0	0	0	0	114.8	D197	D197-G199 PolarHBondContact O-N 3.1Å; D197-G199 VanDerWaalsContact O-N 3.12Å
200	E	93.2	Very high	95.4	Very high	59 Å²	59	63.7 Å²	63.7	28%	0.276	37%	0.373	S	S	.	.			trans	-72.1	129.4	175.8	-166.8	176.9	-139.6	0	0	110.7	R194 A196 D197 A198 L207	R194-E200 IonicContact CZ-OE1 3.21Å; R194-E200 IonicContact CZ-OE2 2.75Å; R194-E200 IonicContact NH1-OE1 3.66Å; R194-E200 PolarHBondContact NH1-OE1 3.15Å; R194-E200 IonicContact NH1-OE2 3.93Å; R194-E200 PolarHBondContact NH1-OE2 3.35Å; R194-E200 IonicContact NH2-OE1 2.71Å; R194-E200 PolarHBondContact NH2-OE1 3.36Å; R194-E200 IonicContact NH2-OE2 3.28Å; R194-E200 PolarHBondContact NH2-OE2 2.88Å; A196-E200 WeakPolarHBondContact CA-OE2 3.43Å; D197-E200 HydrophobicContact CB-CB 4.25Å; D197-E200 PolarHBondContact N-OE2 2.6Å; D197-E200 VanDerWaalsContact N-OE2 3.11Å; D197-E200 VanDerWaalsContact O-CB 3.27Å; D197-E200 WeakPolarHBondContact O-CB 3.34Å; D197-E200 PolarHBondContact O-N 3.39Å; A198-E200 VanDerWaalsContact C-N 3.33Å; E200-L207 VanDerWaalsContact CD-CD2 3.43Å; E200-L207 HydrophobicContact CG-CD2 3.42Å; E200-L207 VanDerWaalsContact CG-CD2 3.42Å; E200-L207 WeakPolarHBondContact OE1-CD2 3.39Å
201	T	93.5	Very high	95.1	Very high	114 Å²	114	63.6 Å²	63.6	70%	0.699	38%	0.381	S	S	*	.			trans	-123.7	125	179.8	-55.2	0	0	0	0	109.4	D203	T201-D203 PolarHBondContact O-N 2.83Å
202	P	95.2	Very high	94.8	Very high	37 Å²	37	67.3 Å²	67.3	24%	0.24	42%	0.419	C	S	.	.			trans	-57	126.5	175.2	-28.4	37.7	0	0	0	112.5	L207 A209 V215	P202-L207 CarbonylContact C-O 3.6Å; P202-L207 WeakPolarHBondContact CA-O 3.21Å; P202-L207 WeakPolarHBondContact CB-O 3.31Å; P202-A209 HydrophobicContact CB-CB 4.24Å; P202-A209 HydrophobicContact CG-CB 4.01Å; P202-V215 HydrophobicContact CG-CG1 3.88Å
203	D	95.4	Very high	94.5	Very high	78 Å²	78	66.7 Å²	66.7	42%	0.417	43%	0.427	S	S	.	.			trans	-91.8	-8.3	177.4	64.2	7.6	0	0	0	113.1	T201 Q205 V206 L207	T201-D203 PolarHBondContact O-N 2.83Å; D203-Q205 PolarHBondContact O-N 3.4Å; D203-Q205 PolarHBondContact OD1-N 3.46Å; D203-V206 PolarHBondContact OD1-N 3.36Å; D203-V206 WeakPolarHBondContact OD2-CG2 3.29Å; D203-L207 PolarHBondContact N-O 3.03Å; D203-L207 VanDerWaalsContact N-O 3.1Å; D203-L207 PolarHBondContact OD1-N 3.4Å
204	N	94.2	Very high	94.4	Very high	98 Å²	98	68 Å²	68	52%	0.524	43%	0.432	S	S	.	.	S	Bend	trans	58	26.1	-174.1	-54	-65.9	0	0	0	113.9	L207 Y208	N204-L207 PolarHBondContact N-O 3.15Å; N204-Y208 HydrophobicContact CB-CD1 4.26Å; N204-Y208 HydrophobicContact CB-CE1 4.42Å; N204-Y208 WeakPolarHBondContact O-CE1 3.36Å
205	Q	94.7	Very high	94.4	Very high	151 Å²	151	66.3 Å²	66.3	71%	0.706	43%	0.426	S	S	*	.	S	Bend	trans	-121.9	-45.9	174.6	-63.8	-172.9	26.5	0	0	112.4	D203 Y208	D203-Q205 PolarHBondContact O-N 3.4Å; D203-Q205 PolarHBondContact OD1-N 3.46Å; Q205-Y208 PolarHBondContact O-OH 3.11Å
206	V	95.6	Very high	94.6	Very high	102 Å²	102	62.3 Å²	62.3	62%	0.618	41%	0.409	S	S	*	.	S	Bend	trans	-126	-24	174.5	-62	0	0	0	0	111.5	D203 E217	D203-V206 PolarHBondContact OD1-N 3.36Å; D203-V206 WeakPolarHBondContact OD2-CG2 3.29Å; V206-E217 WeakPolarHBondContact O-CB 3.24Å
207	L	97.6	Very high	94.8	Very high	14 Å²	14	61.9 Å²	61.9	7%	0.073	40%	0.399	C	S	.	.	S	Bend	trans	-122	123.2	175.8	-169	70.5	0	0	0	110	E200 P202 D203 N204 V215	E200-L207 VanDerWaalsContact CD-CD2 3.43Å; E200-L207 HydrophobicContact CG-CD2 3.42Å; E200-L207 VanDerWaalsContact CG-CD2 3.42Å; E200-L207 WeakPolarHBondContact OE1-CD2 3.39Å; P202-L207 CarbonylContact C-O 3.6Å; P202-L207 WeakPolarHBondContact CA-O 3.21Å; P202-L207 WeakPolarHBondContact CB-O 3.31Å; D203-L207 PolarHBondContact N-O 3.03Å; D203-L207 VanDerWaalsContact N-O 3.1Å; D203-L207 PolarHBondContact OD1-N 3.4Å; N204-L207 PolarHBondContact N-O 3.15Å; L207-V215 HydrophobicContact CD1-CB 3.78Å; L207-V215 HydrophobicContact CD1-CG2 3.82Å; L207-V215 HydrophobicContact CD2-CG1 4.46Å; L207-V215 HydrophobicContact CG-CB 4.18Å; L207-V215 HydrophobicContact CG-CG1 4.47Å
208	Y	97.8	Very high	95	Very high	29 Å²	29	62.7 Å²	62.7	11%	0.114	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	148.5	-175.7	-56.1	-92	0	0	0	110.6	E8 I12 N204 Q205 G210 V215 L216	E8-Y208 HydrophobicContact CB-CD1 4.5Å; E8-Y208 HydrophobicContact CB-CD2 3.79Å; E8-Y208 HydrophobicContact CB-CE1 4.4Å; E8-Y208 HydrophobicContact CB-CE2 3.69Å; E8-Y208 HydrophobicContact CB-CG 4.21Å; E8-Y208 HydrophobicContact CG-CD1 4.45Å; E8-Y208 HydrophobicContact CG-CD2 4.26Å; E8-Y208 HydrophobicContact CG-CE1 3.92Å; E8-Y208 HydrophobicContact CG-CE2 3.72Å; I12-Y208 HydrophobicContact CD1-CD1 3.79Å; I12-Y208 HydrophobicContact CD1-CE1 4.45Å; I12-Y208 HydrophobicContact CD1-CG 4.49Å; I12-Y208 HydrophobicContact CG1-CD1 4.12Å; I12-Y208 HydrophobicContact CG1-CG 4.35Å; N204-Y208 HydrophobicContact CB-CD1 4.26Å; N204-Y208 HydrophobicContact CB-CE1 4.42Å; N204-Y208 WeakPolarHBondContact O-CE1 3.36Å; Q205-Y208 PolarHBondContact O-OH 3.11Å; Y208-G210 PolarHBondContact O-N 3.31Å; Y208-V215 WeakPolarHBondContact O-CA 3.25Å; Y208-L216 HydrophobicContact CD2-CD1 4.1Å; Y208-L216 HydrophobicContact CG-CD1 4.26Å; Y208-L216 PolarHBondContact N-O 2.97Å; Y208-L216 PolarHBondContact O-N 2.92Å
209	A	96.1	Very high	95.3	Very high	39 Å²	39	58.6 Å²	58.6	32%	0.322	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	124.1	175.8	0	0	0	0	0	110.6	G13 P202	G13-A209 PolarHBondContact N-O 3.33Å; P202-A209 HydrophobicContact CB-CB 4.24Å; P202-A209 HydrophobicContact CG-CB 4.01Å
210	G	94.3	Very high	95.4	Very high	12 Å²	12	63 Å²	63	12%	0.124	36%	0.355	C	S	.	.			trans	-85.7	-168	159.1	0	0	0	0	0	110.8	R14 Y208 W214	R14-G210 CarbonylContact O-C 3.49Å; R14-G210 WeakPolarHBondContact O-CA 3.18Å; Y208-G210 PolarHBondContact O-N 3.31Å; G210-W214 CarbonylContact C-O 3.55Å; G210-W214 VanDerWaalsContact CA-O 3.23Å; G210-W214 WeakPolarHBondContact CA-O 3.35Å; G210-W214 PolarHBondContact N-O 3.31Å
211	S	93.2	Very high	95.3	Very high	54 Å²	54	64.7 Å²	64.7	38%	0.378	37%	0.372	S	S	.	.	S	Bend	trans	-80.4	145.1	170.2	-172.9	0	0	0	0	111.5	G13 R14 S213 W214	G13-S211 WeakPolarHBondContact O-CB 3.41Å; R14-S211 PolarHBondContact O-N 2.83Å; S211-S213 PolarHBondContact O-N 2.9Å; S211-W214 WeakPolarHBondContact O-CB 3.18Å; S211-W214 PolarHBondContact O-N 3.33Å
212	G	90.7	Very high	95.4	Very high	77 Å²	77	62.3 Å²	62.3	79%	0.794	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	-128	178.1	0	0	0	0	0	112.7	W214	G212-W214 VanDerWaalsContact C-N 3.29Å; G212-W214 PolarHBondContact O-N 2.86Å
213	S	92.5	Very high	95.4	Very high	66 Å²	66	63.6 Å²	63.6	46%	0.462	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	9.3	-178.8	77	0	0	0	0	113.7	K195 A196 S211	K195-S213 VanDerWaalsContact CD-OG 3.24Å; K195-S213 WeakPolarHBondContact CD-OG 3.34Å; K195-S213 PolarHBondContact NZ-OG 3.45Å; A196-S213 PolarHBondContact N-O 3.47Å; S211-S213 PolarHBondContact O-N 2.9Å
214	W	96.8	Very high	95.4	Very high	26 Å²	26	62.8 Å²	62.8	10%	0.098	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	135.9	-176.7	-67.7	103.2	0	0	0	110.7	P16 P174 E175 V177 F193 K195 G210 S211 G212	P16-W214 HydrophobicContact CG-CD2 3.78Å; P16-W214 HydrophobicContact CG-CE3 4.04Å; P16-W214 HydrophobicContact CG-CG 4.35Å; P16-W214 HydrophobicContact CG-CH2 4Å; P16-W214 HydrophobicContact CG-CZ2 3.71Å; P16-W214 HydrophobicContact CG-CZ3 4.14Å; P174-W214 HydrophobicContact CB-CH2 4.06Å; P174-W214 HydrophobicContact CB-CZ2 4.43Å; P174-W214 HydrophobicContact CG-CH2 4.3Å; P174-W214 HydrophobicContact CG-CZ2 4.16Å; P174-W214 VanDerWaalsContact O-CH2 3.27Å; P174-W214 WeakPolarHBondContact O-CH2 3.26Å; E175-W214 WeakPolarHBondContact O-CZ3 3.39Å; V177-W214 HydrophobicContact CG2-CH2 4.48Å; F193-W214 HydrophobicContact CB-CE3 3.9Å; F193-W214 HydrophobicContact CB-CZ3 4.25Å; F193-W214 HydrophobicContact CD1-CB 4.49Å; K195-W214 HydrophobicContact CD-CD2 4.16Å; K195-W214 HydrophobicContact CD-CE3 4.19Å; K195-W214 HydrophobicContact CD-CH2 4.29Å; K195-W214 HydrophobicContact CD-CZ2 4.27Å; K195-W214 HydrophobicContact CD-CZ3 4.26Å; K195-W214 VanDerWaalsContact CE-CZ2 3.48Å; G210-W214 CarbonylContact C-O 3.55Å; G210-W214 VanDerWaalsContact CA-O 3.23Å; G210-W214 WeakPolarHBondContact CA-O 3.35Å; G210-W214 PolarHBondContact N-O 3.31Å; S211-W214 WeakPolarHBondContact O-CB 3.18Å; S211-W214 PolarHBondContact O-N 3.33Å; G212-W214 VanDerWaalsContact C-N 3.29Å; G212-W214 PolarHBondContact O-N 2.86Å
215	V	97.8	Very high	95.5	Very high	5 Å²	5	60.7 Å²	60.7	3%	0.03	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	156.1	163.6	-67.7	0	0	0	0	108.5	F193 R194 A196 P202 L207 Y208	F193-V215 WeakPolarHBondContact CA-O 3.22Å; R194-V215 HydrophobicContact CG-CG2 3.87Å; R194-V215 PolarHBondContact N-O 3.12Å; R194-V215 WeakPolarHBondContact O-CG2 3.49Å; R194-V215 PolarHBondContact O-N 2.82Å; A196-V215 HydrophobicContact CB-CG1 3.83Å; A196-V215 HydrophobicContact CB-CG2 4.29Å; P202-V215 HydrophobicContact CG-CG1 3.88Å; L207-V215 HydrophobicContact CD1-CB 3.78Å; L207-V215 HydrophobicContact CD1-CG2 3.82Å; L207-V215 HydrophobicContact CD2-CG1 4.46Å; L207-V215 HydrophobicContact CG-CB 4.18Å; L207-V215 HydrophobicContact CG-CG1 4.47Å; Y208-V215 WeakPolarHBondContact O-CA 3.25Å
216	L	97.9	Very high	95.5	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	150.6	177.2	71.1	96.8	0	0	0	111.8	E8 C11 I191 R192 F193 Y208	E8-L216 HydrophobicContact CB-CD1 3.96Å; C11-L216 VanDerWaalsContact C-CD2 3.47Å; C11-L216 HydrophobicContact CB-CD1 4.08Å; C11-L216 HydrophobicContact CB-CD2 3.73Å; C11-L216 WeakPolarHBondContact O-CD2 3.28Å; I191-L216 HydrophobicContact CG2-CB 4.28Å; I191-L216 HydrophobicContact CG2-CD1 4.17Å; R192-L216 CarbonylContact O-C 3.56Å; R192-L216 WeakPolarHBondContact O-CA 3.39Å; F193-L216 HydrophobicContact CD1-CB 3.84Å; F193-L216 HydrophobicContact CD1-CD2 4.28Å; F193-L216 HydrophobicContact CE1-CB 3.95Å; F193-L216 HydrophobicContact CE1-CD2 3.59Å; F193-L216 HydrophobicContact CE1-CG 4.42Å; F193-L216 HydrophobicContact CG-CB 4.2Å; F193-L216 HydrophobicContact CZ-CB 4.39Å; F193-L216 HydrophobicContact CZ-CD2 3.99Å; Y208-L216 HydrophobicContact CD2-CD1 4.1Å; Y208-L216 HydrophobicContact CG-CD1 4.26Å; Y208-L216 PolarHBondContact N-O 2.97Å; Y208-L216 PolarHBondContact O-N 2.92Å
217	E	97.7	Very high	95.5	Very high	31 Å²	31	51.9 Å²	51.9	15%	0.145	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	149	-179.8	62.7	-160.7	127.2	0	0	109.6	R192 R194 V206 L219	R192-E217 HydrophobicContact CB-CG 4.06Å; R192-E217 IonicContact CZ-OE1 3.59Å; R192-E217 IonicContact CZ-OE2 2.73Å; R192-E217 PolarHBondContact N-O 3.37Å; R192-E217 VanDerWaalsContact NE-CD 3.34Å; R192-E217 IonicContact NE-OE1 2.64Å; R192-E217 PolarHBondContact NE-OE1 2.63Å; R192-E217 IonicContact NE-OE2 3.23Å; R192-E217 IonicContact NH2-OE1 3.36Å; R192-E217 PolarHBondContact NH2-OE1 3.09Å; R192-E217 IonicContact NH2-OE2 2.86Å; R192-E217 PolarHBondContact NH2-OE2 3.19Å; R192-E217 PolarHBondContact O-N 3.14Å; R194-E217 IonicContact CZ-OE1 3.53Å; R194-E217 IonicContact NE-OE1 3.47Å; R194-E217 PolarHBondContact NE-OE1 2.93Å; V206-E217 WeakPolarHBondContact O-CB 3.24Å; E217-L219 HydrophobicContact CG-CD2 4.07Å
218	R	97.8	Very high	95.3	Very high	130 Å²	130	54.6 Å²	54.6	49%	0.491	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	127.7	173.6	179.1	169.6	173.7	176.8	3.4	109.6	E8 R190 I191	E8-R218 WeakPolarHBondContact OE2-CD 3.31Å; E8-R218 IonicContact OE2-NH1 2.71Å; E8-R218 PolarHBondContact OE2-NH1 3Å; R190-R218 WeakPolarHBondContact O-CA 3.26Å; I191-R218 HydrophobicContact CD1-CB 3.93Å; I191-R218 HydrophobicContact CD1-CG 4.25Å
219	L	97.5	Very high	95.2	Very high	30 Å²	30	56.6 Å²	56.6	16%	0.157	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	149.6	175.8	-52.8	-179.2	0	0	0	109.9	E178 R190 R192 E217	E178-L219 HydrophobicContact CG-CD1 4.31Å; R190-L219 HydrophobicContact CB-CB 3.8Å; R190-L219 PolarHBondContact O-N 3.07Å; R192-L219 HydrophobicContact CB-CD1 3.95Å; R192-L219 HydrophobicContact CB-CD2 4.47Å; R192-L219 HydrophobicContact CB-CG 4.18Å; E217-L219 HydrophobicContact CG-CD2 4.07Å
220	Q	94.3	Very high	95.1	Very high	170 Å²	170	58.1 Å²	58.1	79%	0.794	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-66.1	143.9	167.5	-166.8	171.7	13.4	0	0	109.6	R190	R190-Q220 WeakPolarHBondContact CD-O 3.4Å; R190-Q220 PolarHBondContact NH1-O 3.05Å
221	P	90.4	Very high	95.2	Very high	96 Å²	96	62.3 Å²	62.3	62%	0.623	36%	0.361	S	S	*	.			trans	-42.9	0	174.3	-29.6	32.1	0	0	0	113.5	A187 S188 R190	A187-P221 HydrophobicContact CB-CG 4.04Å; S188-P221 WeakPolarHBondContact O-CG 3.38Å; R190-P221 WeakPolarHBondContact CD-OXT 3.34Å; R190-P221 PolarHBondContact NH1-OXT 3.21Å

Retrieved 221 of 221 residues in 70.4 ms (Link to these results)

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