A0A087XTU1_POEFO Loading...

Tissue factor

Initiates blood coagulation by forming a complex with circulating factor VII or VIIa. The [TF:VIIa] complex activates factors IX or X by specific limited proteolysis. TF plays a role in normal hemostasis by initiating the cell-surface assembly and propagation of the coagulation protease cascade.

AlphaFold DB , UniProt , Accession A0A087XTU1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 279 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	40	Very low	37.8	Very low	223 Å²	223	132.1 Å²	132.1	100%	1.099	81%	0.806	S	S	*	*				0	89.1	0	-174	167.4	157.8	0	0	107.1
2	V	32.8	Very low	38.2	Very low	130 Å²	130	127.5 Å²	127.5	79%	0.788	79%	0.792	S	S	*	*			trans	-92.1	110.1	-179.2	177	0	0	0	0	106.4	L4	V2-L4 PolarHBondContact O-N 3.41Å
3	L	35	Very low	39.3	Very low	146 Å²	146	124.8 Å²	124.8	76%	0.764	79%	0.79	S	S	*	*			trans	-78.3	99.4	172.9	-82.2	153.2	0	0	0	107.7	S5	L3-S5 PolarHBondContact O-N 2.84Å
4	L	35.8	Very low	40.4	Very low	150 Å²	150	129 Å²	129	79%	0.785	79%	0.785	S	S	*	*			trans	-72.1	99.1	165.3	-88.5	127	0	0	0	108.2	V2 T6	V2-L4 PolarHBondContact O-N 3.41Å; L4-T6 PolarHBondContact O-N 2.94Å; L4-T6 VanDerWaalsContact O-N 3.08Å
5	S	39.8	Very low	42.8	Very low	99 Å²	99	127 Å²	127	69%	0.692	78%	0.779	S	S	*	*			trans	-71.7	93.9	166.3	-63.9	0	0	0	0	108.8	L3 H7	L3-S5 PolarHBondContact O-N 2.84Å; S5-H7 PolarHBondContact O-N 2.92Å; S5-H7 VanDerWaalsContact O-N 3.1Å
6	T	40.3	Very low	45.6	Very low	123 Å²	123	121.1 Å²	121.1	76%	0.755	74%	0.738	S	S	*	*			trans	-68	103.4	166.5	43.6	0	0	0	0	108.7	L4 C8	L4-T6 PolarHBondContact O-N 2.94Å; L4-T6 VanDerWaalsContact O-N 3.08Å; T6-C8 PolarHBondContact O-N 2.99Å
7	H	38.2	Very low	48.4	Very low	175 Å²	175	116.8 Å²	116.8	81%	0.81	71%	0.713	S	S	*	*			trans	-69.1	108.2	163.7	-75.1	14.9	0	0	0	107.9	S5 A9	S5-H7 PolarHBondContact O-N 2.92Å; S5-H7 VanDerWaalsContact O-N 3.1Å; H7-A9 PolarHBondContact O-N 3Å
8	C	37.2	Very low	51	Low	124 Å²	124	119.1 Å²	119.1	84%	0.838	71%	0.707	S	S	*	*			trans	-63.6	102.9	161.8	-72.4	0	0	0	0	107.4	T6 S10	T6-C8 PolarHBondContact O-N 2.99Å; C8-S10 VanDerWaalsContact C-N 3.35Å; C8-S10 PolarHBondContact O-N 3.07Å
9	A	39.3	Very low	53.4	Low	99 Å²	99	112.9 Å²	112.9	82%	0.818	67%	0.67	S	S	*	*			trans	-64.2	100.9	163	0	0	0	0	0	107.1	H7 G11	H7-A9 PolarHBondContact O-N 3Å; A9-G11 PolarHBondContact O-N 3.43Å; A9-G11 VanDerWaalsContact O-N 3.08Å
10	S	41.3	Very low	55.6	Low	114 Å²	114	113.1 Å²	113.1	80%	0.797	66%	0.664	S	S	*	*			trans	-64.1	106.5	164.7	-168.9	0	0	0	0	106.6	C8 A12	C8-S10 VanDerWaalsContact C-N 3.35Å; C8-S10 PolarHBondContact O-N 3.07Å; S10-A12 PolarHBondContact O-N 3.28Å
11	G	36.3	Very low	57.6	Low	70 Å²	70	114.2 Å²	114.2	72%	0.722	67%	0.667	S	S	*	*			trans	-60.1	108.6	168.1	0	0	0	0	0	107.5	A9 A13	A9-G11 PolarHBondContact O-N 3.43Å; A9-G11 VanDerWaalsContact O-N 3.08Å; G11-A13 PolarHBondContact O-N 3.43Å
12	A	42.8	Very low	60.4	Low	77 Å²	77	104.3 Å²	104.3	64%	0.636	62%	0.619	S	S	*	*			trans	-63.8	102.5	168.9	0	0	0	0	0	106.8	S10 Y14	S10-A12 PolarHBondContact O-N 3.28Å; A12-Y14 PolarHBondContact O-N 2.94Å
13	A	52.1	Low	63.5	Low	93 Å²	93	101.5 Å²	101.5	77%	0.769	60%	0.602	S	S	*	*			trans	-58	110.9	162.6	0	0	0	0	0	105.9	G11 S15	G11-A13 PolarHBondContact O-N 3.43Å; A13-S15 PolarHBondContact O-N 2.97Å
14	Y	54	Low	66.5	Low	183 Å²	183	96.5 Å²	96.5	72%	0.718	57%	0.573	S	S	*	*			trans	-65.9	81.1	173.4	-80.2	-90.9	0	0	0	108.1	A12 Y16	A12-Y14 PolarHBondContact O-N 2.94Å; Y14-Y16 PolarHBondContact O-N 3.39Å; Y14-Y16 VanDerWaalsContact O-N 3.16Å
15	S	76.4	Confident	69.5	Low	99 Å²	99	92.9 Å²	92.9	69%	0.692	56%	0.56	S	S	*	*			trans	-75.4	101.2	173.4	160.3	0	0	0	0	107.7	A13	A13-S15 PolarHBondContact O-N 2.97Å
16	Y	88.3	Confident	72.3	Confident	32 Å²	32	88.6 Å²	88.6	13%	0.125	53%	0.531	C	S	.	.	P	Polyproline II helix	trans	-53.4	140.7	172.1	-53.7	-59.4	0	0	0	110.9	Y14 D42 Y43 S89 P91 F102 P103	Y14-Y16 PolarHBondContact O-N 3.39Å; Y14-Y16 VanDerWaalsContact O-N 3.16Å; Y16-D42 VanDerWaalsContact CE1-O 3.24Å; Y16-D42 WeakPolarHBondContact CE1-O 3.33Å; Y16-Y43 HydrophobicContact CD1-CG 4.42Å; Y16-S89 WeakPolarHBondContact CD2-O 3.46Å; Y16-P91 WeakPolarHBondContact OH-CB 3.49Å; Y16-F102 AromaticContact CD2-CD1 3.98Å; Y16-F102 HydrophobicContact CD2-CD1 3.98Å; Y16-F102 HydrophobicContact CD2-CE1 4.4Å; Y16-F102 AromaticContact CE2-CD1 3.92Å; Y16-F102 HydrophobicContact CE2-CD1 3.92Å; Y16-F102 AromaticContact CE2-CE1 3.86Å; Y16-F102 HydrophobicContact CE2-CE1 3.86Å; Y16-P103 WeakPolarHBondContact O-CG 3.19Å
17	P	92.9	Very high	75	Confident	48 Å²	48	85 Å²	85	31%	0.312	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-66.3	142.9	-179.8	28.6	-34.5	0	0	0	110.1	Y43 S89	P17-Y43 HydrophobicContact CG-CD1 4.29Å; P17-Y43 HydrophobicContact CG-CD2 4.38Å; P17-Y43 HydrophobicContact CG-CE1 3.68Å; P17-Y43 HydrophobicContact CG-CE2 3.77Å; P17-S89 VanDerWaalsContact O-CB 3.27Å; P17-S89 WeakPolarHBondContact O-CB 3.39Å; P17-S89 PolarHBondContact O-OG 3.28Å
18	R	95.6	Very high	77.9	Confident	159 Å²	159	77.9 Å²	77.9	60%	0.6	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-71.1	146	170.9	-70.6	-172.8	-173.7	-169.2	-0.2	110.5	P103	R18-P103 HydrophobicContact CG-CB 3.78Å
19	A	96.9	Very high	80.8	Confident	2 Å²	2	72.1 Å²	72.1	2%	0.017	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-62.4	145.1	169	0	0	0	0	0	110.5	V22 W35 G36 Y45 I87 T105	A19-V22 HydrophobicContact CB-CG2 4.3Å; A19-W35 HydrophobicContact CB-CB 4.2Å; A19-W35 HydrophobicContact CB-CG 4.15Å; A19-G36 CarbonylContact C-O 3.58Å; A19-G36 VanDerWaalsContact CA-O 3.28Å; A19-G36 WeakPolarHBondContact CA-O 3.48Å; A19-Y45 HydrophobicContact CB-CE1 4.07Å; A19-I87 HydrophobicContact CB-CB 3.85Å; A19-I87 HydrophobicContact CB-CG2 3.62Å; A19-T105 VanDerWaalsContact O-CB 3.28Å; A19-T105 WeakPolarHBondContact O-CB 3.29Å; A19-T105 WeakPolarHBondContact O-CG2 3.49Å; A19-T105 PolarHBondContact O-OG1 3.16Å
20	Q	97.2	Very high	83.6	Confident	116 Å²	116	72.1 Å²	72.1	54%	0.542	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	160.3	-176.9	-60.7	178.1	23.2	0	0	109.6	V22 W35 G36	Q20-V22 PolarHBondContact O-N 3.3Å; Q20-W35 CarbonylContact O-C 3.58Å; Q20-W35 WeakPolarHBondContact O-CA 3.34Å; Q20-G36 PolarHBondContact N-O 3.46Å; Q20-G36 PolarHBondContact O-N 3.34Å
21	N	97.5	Very high	86.3	Confident	137 Å²	137	66.8 Å²	66.8	73%	0.733	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	51.7	45.2	179.4	-56	-33.9	0	0	0	112.1	T23	N21-T23 PolarHBondContact O-N 3.09Å
22	V	98.2	Very high	89.3	Confident	14 Å²	14	64.9 Å²	64.9	9%	0.085	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	116.9	179.8	-179.3	0	0	0	0	109.1	A19 Q20 L33 S34 W35 I87 T105 P108	A19-V22 HydrophobicContact CB-CG2 4.3Å; Q20-V22 PolarHBondContact O-N 3.3Å; V22-L33 HydrophobicContact CG1-CD1 3.74Å; V22-L33 HydrophobicContact CG1-CG 4.36Å; V22-S34 CarbonylContact C-O 3.46Å; V22-S34 VanDerWaalsContact CA-O 3.31Å; V22-S34 WeakPolarHBondContact CA-O 3.44Å; V22-W35 HydrophobicContact CG2-CB 3.97Å; V22-I87 HydrophobicContact CB-CD1 4.37Å; V22-I87 HydrophobicContact CG1-CD1 3.51Å; V22-I87 HydrophobicContact CG2-CD1 3.89Å; V22-T105 HydrophobicContact CG2-CG2 3.71Å; V22-P108 WeakPolarHBondContact O-CD 3.34Å
23	T	98.3	Very high	91.9	Very high	72 Å²	72	61.2 Å²	61.2	44%	0.442	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	143.2	-173.9	53	0	0	0	0	112	N21 S34	N21-T23 PolarHBondContact O-N 3.09Å; T23-S34 PolarHBondContact N-O 3.42Å; T23-S34 PolarHBondContact O-N 2.93Å; T23-S34 PolarHBondContact O-OG 3.4Å; T23-S34 PolarHBondContact OG1-OG 2.88Å
24	W	98.2	Very high	94.1	Very high	41 Å²	41	58.6 Å²	58.6	16%	0.155	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	138.7	170.6	-66.5	103.8	0	0	0	110.1	T31 L33 L72 L76 A85 S107 P108 F110	W24-T31 HydrophobicContact CE3-CG2 3.54Å; W24-T31 HydrophobicContact CZ3-CG2 3.76Å; W24-L33 HydrophobicContact CD2-CD1 3.59Å; W24-L33 HydrophobicContact CE3-CB 4.03Å; W24-L33 HydrophobicContact CE3-CD1 3.84Å; W24-L33 HydrophobicContact CG-CD1 4.13Å; W24-L33 HydrophobicContact CH2-CB 4.34Å; W24-L33 HydrophobicContact CH2-CD1 4.08Å; W24-L33 HydrophobicContact CH2-CD2 4.35Å; W24-L33 HydrophobicContact CZ2-CD1 3.83Å; W24-L33 HydrophobicContact CZ3-CB 3.88Å; W24-L33 HydrophobicContact CZ3-CD1 4.09Å; W24-L33 HydrophobicContact CZ3-CG 4.45Å; W24-L72 HydrophobicContact CH2-CD1 3.59Å; W24-L72 HydrophobicContact CZ3-CD1 3.69Å; W24-L76 HydrophobicContact CZ3-CD1 4.27Å; W24-A85 HydrophobicContact CH2-CB 3.99Å; W24-A85 HydrophobicContact CZ2-CB 3.77Å; W24-S107 PolarHBondContact NE1-OG 3.27Å; W24-P108 PolarHBondContact NE1-O 3.36Å; W24-F110 HydrophobicContact CB-CB 4.42Å; W24-F110 HydrophobicContact CB-CD2 4.13Å; W24-F110 HydrophobicContact CB-CG 4.24Å; W24-F110 HydrophobicContact CD2-CB 3.86Å; W24-F110 HydrophobicContact CD2-CD1 4.24Å; W24-F110 HydrophobicContact CD2-CG 4.07Å; W24-F110 HydrophobicContact CE3-CD1 4.23Å; W24-F110 HydrophobicContact CE3-CG 4.49Å; W24-F110 HydrophobicContact CG-CB 3.73Å; W24-F110 HydrophobicContact CG-CD2 4.32Å; W24-F110 AromaticContact CG-CG 3.96Å; W24-F110 HydrophobicContact CG-CG 3.96Å
25	S	98.3	Very high	96.2	Very high	73 Å²	73	50.9 Å²	50.9	51%	0.51	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	127.2	167.4	-179.7	0	0	0	0	108.7	T31 V32	S25-T31 WeakPolarHBondContact O-CA 3.37Å; S25-V32 PolarHBondContact N-O 3.01Å; S25-V32 PolarHBondContact O-N 3.27Å
26	S	98.5	Very high	97.2	Very high	10 Å²	10	46.9 Å²	46.9	7%	0.07	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	121.6	-177	-168.6	0	0	0	0	113.2	K30 T31 T116 E117	S26-K30 VanDerWaalsContact CA-O 3.3Å; S26-K30 WeakPolarHBondContact CA-O 3.45Å; S26-T31 PolarHBondContact OG-OG1 3.47Å; S26-T116 PolarHBondContact O-OG1 2.79Å; S26-T116 WeakPolarHBondContact OG-CB 3.21Å; S26-T116 PolarHBondContact OG-OG1 3.32Å; S26-E117 PolarHBondContact O-N 3.23Å
27	T	98.4	Very high	97.6	Very high	47 Å²	47	48.1 Å²	48.1	29%	0.288	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	129.3	172	-51.8	0	0	0	0	109.2	F29 K30 E117	T27-F29 PolarHBondContact O-N 3.44Å; T27-K30 PolarHBondContact N-O 2.9Å; T27-K30 VanDerWaalsContact O-CB 3.25Å; T27-K30 WeakPolarHBondContact O-CB 3.39Å; T27-K30 PolarHBondContact O-N 2.95Å; T27-E117 CarbonylContact C-O 3.57Å; T27-E117 WeakPolarHBondContact CA-O 3.43Å; T27-E117 HydrophobicContact CG2-CB 4.41Å
28	N	98.1	Very high	97.7	Very high	25 Å²	25	51.7 Å²	51.7	13%	0.134	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.8	44.6	-175.1	-64.4	-14.6	0	0	0	112.6	K30 T116 E117 G119 P141 L142 T143 A144	N28-K30 PolarHBondContact O-N 3.28Å; N28-T116 PolarHBondContact N-OG1 3.06Å; N28-E117 PolarHBondContact N-O 3.02Å; N28-G119 PolarHBondContact OD1-N 3.27Å; N28-P141 WeakPolarHBondContact ND2-CB 3.16Å; N28-L142 WeakPolarHBondContact CB-O 3.41Å; N28-L142 PolarHBondContact ND2-O 2.82Å; N28-T143 HydrophobicContact CB-CG2 4.29Å; N28-T143 CarbonylContact O-C 3.44Å; N28-T143 WeakPolarHBondContact O-CA 3.41Å; N28-T143 VanDerWaalsContact O-CB 3.27Å; N28-T143 WeakPolarHBondContact O-CB 3.47Å; N28-A144 PolarHBondContact O-N 2.71Å
29	F	98.2	Very high	97.6	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.018	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	62	7.9	-178.3	-57.3	-90.3	0	0	0	115.7	T27 T31 L79 P112 T116 T143 V145 I157 F158	T27-F29 PolarHBondContact O-N 3.44Å; F29-T31 PolarHBondContact O-N 2.89Å; F29-T31 VanDerWaalsContact O-N 3.14Å; F29-L79 HydrophobicContact CD1-CD1 4.45Å; F29-L79 HydrophobicContact CD1-CD2 3.78Å; F29-L79 HydrophobicContact CE1-CB 4.27Å; F29-L79 HydrophobicContact CE1-CD1 4.13Å; F29-L79 HydrophobicContact CE1-CD2 4.02Å; F29-L79 HydrophobicContact CE1-CG 4.37Å; F29-L79 HydrophobicContact CZ-CD1 4.47Å; F29-P112 HydrophobicContact CD1-CB 4.02Å; F29-P112 HydrophobicContact CE1-CB 4.08Å; F29-T116 HydrophobicContact CD1-CG2 4.05Å; F29-T116 HydrophobicContact CD2-CG2 4.02Å; F29-T116 HydrophobicContact CE1-CG2 3.87Å; F29-T116 HydrophobicContact CE2-CG2 3.82Å; F29-T116 HydrophobicContact CG-CG2 4.14Å; F29-T116 HydrophobicContact CZ-CG2 3.75Å; F29-T116 PolarHBondContact N-OG1 3.43Å; F29-T116 VanDerWaalsContact N-OG1 3.1Å; F29-T143 HydrophobicContact CD2-CG2 3.87Å; F29-T143 HydrophobicContact CE2-CG2 4.39Å; F29-V145 HydrophobicContact CB-CG2 3.6Å; F29-V145 HydrophobicContact CD1-CG2 4.29Å; F29-V145 HydrophobicContact CD2-CG2 4.34Å; F29-V145 HydrophobicContact CG-CG2 3.84Å; F29-I157 HydrophobicContact CD2-CD1 3.61Å; F29-I157 HydrophobicContact CE2-CB 4.39Å; F29-I157 HydrophobicContact CE2-CD1 3.42Å; F29-I157 VanDerWaalsContact CE2-CD1 3.42Å; F29-I157 HydrophobicContact CE2-CG1 4.49Å; F29-I157 HydrophobicContact CE2-CG2 3.94Å; F29-I157 HydrophobicContact CG-CD1 4.34Å; F29-I157 HydrophobicContact CZ-CD1 4Å; F29-I157 HydrophobicContact CZ-CG2 3.64Å; F29-F158 AromaticContact CE2-CE2 3.8Å; F29-F158 HydrophobicContact CE2-CE2 3.8Å; F29-F158 AromaticContact CE2-CZ 3.89Å; F29-F158 HydrophobicContact CE2-CZ 3.89Å; F29-F158 HydrophobicContact CZ-CE1 4.47Å; F29-F158 AromaticContact CZ-CE2 3.97Å; F29-F158 HydrophobicContact CZ-CE2 3.97Å; F29-F158 AromaticContact CZ-CZ 3.57Å; F29-F158 HydrophobicContact CZ-CZ 3.57Å
30	K	98.1	Very high	97.3	Very high	99 Å²	99	47.7 Å²	47.7	43%	0.43	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	96.8	163.4	-175.8	77.1	-166.2	175.2	0	107.8	S26 T27 N28 D71 S73 A144	S26-K30 VanDerWaalsContact CA-O 3.3Å; S26-K30 WeakPolarHBondContact CA-O 3.45Å; T27-K30 PolarHBondContact N-O 2.9Å; T27-K30 VanDerWaalsContact O-CB 3.25Å; T27-K30 WeakPolarHBondContact O-CB 3.39Å; T27-K30 PolarHBondContact O-N 2.95Å; N28-K30 PolarHBondContact O-N 3.28Å; K30-D71 WeakPolarHBondContact CE-OD2 3.35Å; K30-D71 IonicContact NZ-OD1 2.57Å; K30-D71 IonicContact NZ-OD2 2.61Å; K30-D71 PolarHBondContact NZ-OD2 3.34Å; K30-S73 WeakPolarHBondContact CA-OG 3.39Å; K30-S73 WeakPolarHBondContact CD-OG 3.33Å; K30-A144 HydrophobicContact CB-CB 4.06Å; K30-A144 HydrophobicContact CD-CB 4.11Å
31	T	98.3	Very high	96.9	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.012	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	119.9	-172	-52.9	0	0	0	0	111.5	W24 S25 S26 F29 L72 S73 L76 F110	W24-T31 HydrophobicContact CE3-CG2 3.54Å; W24-T31 HydrophobicContact CZ3-CG2 3.76Å; S25-T31 WeakPolarHBondContact O-CA 3.37Å; S26-T31 PolarHBondContact OG-OG1 3.47Å; F29-T31 PolarHBondContact O-N 2.89Å; F29-T31 VanDerWaalsContact O-N 3.14Å; T31-L72 PolarHBondContact O-N 3.11Å; T31-S73 PolarHBondContact N-OG 3.36Å; T31-S73 PolarHBondContact O-N 3.48Å; T31-S73 PolarHBondContact O-OG 3.38Å; T31-L76 HydrophobicContact CG2-CD1 3.76Å; T31-F110 HydrophobicContact CG2-CD1 4.07Å; T31-F110 HydrophobicContact CG2-CE1 3.51Å; T31-F110 HydrophobicContact CG2-CZ 4.11Å
32	V	98.3	Very high	96.6	Very high	29 Å²	29	44.8 Å²	44.8	18%	0.176	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	129.4	177.3	-178.6	0	0	0	0	109.1	S25 M69 C70 D71	S25-V32 PolarHBondContact N-O 3.01Å; S25-V32 PolarHBondContact O-N 3.27Å; V32-M69 HydrophobicContact CG1-CB 3.96Å; V32-M69 HydrophobicContact CG1-CE 4.05Å; V32-C70 WeakPolarHBondContact CA-O 3.28Å; V32-D71 HydrophobicContact CG2-CB 4.49Å
33	L	98.4	Very high	96.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	130.8	170.1	-174.7	69.4	0	0	0	108.5	V22 W24 W35 V47 M69 C70 L72 A85 I87	V22-L33 HydrophobicContact CG1-CD1 3.74Å; V22-L33 HydrophobicContact CG1-CG 4.36Å; W24-L33 HydrophobicContact CD2-CD1 3.59Å; W24-L33 HydrophobicContact CE3-CB 4.03Å; W24-L33 HydrophobicContact CE3-CD1 3.84Å; W24-L33 HydrophobicContact CG-CD1 4.13Å; W24-L33 HydrophobicContact CH2-CB 4.34Å; W24-L33 HydrophobicContact CH2-CD1 4.08Å; W24-L33 HydrophobicContact CH2-CD2 4.35Å; W24-L33 HydrophobicContact CZ2-CD1 3.83Å; W24-L33 HydrophobicContact CZ3-CB 3.88Å; W24-L33 HydrophobicContact CZ3-CD1 4.09Å; W24-L33 HydrophobicContact CZ3-CG 4.45Å; L33-W35 HydrophobicContact CB-CZ3 4.27Å; L33-W35 HydrophobicContact CD2-CE3 4.35Å; L33-W35 HydrophobicContact CD2-CZ3 4.16Å; L33-W35 HydrophobicContact CG-CE3 4.07Å; L33-W35 HydrophobicContact CG-CZ3 4.08Å; L33-W35 VanDerWaalsContact O-CZ3 3.31Å; L33-W35 WeakPolarHBondContact O-CZ3 3.36Å; L33-V47 HydrophobicContact CD2-CG1 3.97Å; L33-M69 CarbonylContact O-C 3.56Å; L33-M69 WeakPolarHBondContact O-CA 3.39Å; L33-C70 PolarHBondContact N-O 3.45Å; L33-C70 PolarHBondContact O-N 3.24Å; L33-L72 HydrophobicContact CB-CD1 4.34Å; L33-L72 HydrophobicContact CD2-CD1 4.47Å; L33-A85 HydrophobicContact CD2-CB 3.51Å; L33-I87 HydrophobicContact CD2-CD1 3.84Å; L33-I87 HydrophobicContact CD2-CG1 4.18Å
34	S	98.4	Very high	96.2	Very high	39 Å²	39	41.4 Å²	41.4	27%	0.273	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	152.6	178	51.7	0	0	0	0	112	V22 T23 T68	V22-S34 CarbonylContact C-O 3.46Å; V22-S34 VanDerWaalsContact CA-O 3.31Å; V22-S34 WeakPolarHBondContact CA-O 3.44Å; T23-S34 PolarHBondContact N-O 3.42Å; T23-S34 PolarHBondContact O-N 2.93Å; T23-S34 PolarHBondContact O-OG 3.4Å; T23-S34 PolarHBondContact OG1-OG 2.88Å; S34-T68 WeakPolarHBondContact CA-O 3.36Å
35	W	98.3	Very high	96	Very high	20 Å²	20	39.5 Å²	39.5	8%	0.076	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	-176.5	179.3	59	92.5	0	0	0	110.7	A19 Q20 V22 L33 Y45 V47 A67 T68 M69 C70 I87	A19-W35 HydrophobicContact CB-CB 4.2Å; A19-W35 HydrophobicContact CB-CG 4.15Å; Q20-W35 CarbonylContact O-C 3.58Å; Q20-W35 WeakPolarHBondContact O-CA 3.34Å; V22-W35 HydrophobicContact CG2-CB 3.97Å; L33-W35 HydrophobicContact CB-CZ3 4.27Å; L33-W35 HydrophobicContact CD2-CE3 4.35Å; L33-W35 HydrophobicContact CD2-CZ3 4.16Å; L33-W35 HydrophobicContact CG-CE3 4.07Å; L33-W35 HydrophobicContact CG-CZ3 4.08Å; L33-W35 VanDerWaalsContact O-CZ3 3.31Å; L33-W35 WeakPolarHBondContact O-CZ3 3.36Å; W35-Y45 AromaticContact CD1-CD2 3.9Å; W35-Y45 AromaticContact CD1-CE2 3.65Å; W35-Y45 AromaticContact CD1-CZ 3.84Å; W35-Y45 AromaticContact CE2-CD2 3.91Å; W35-Y45 HydrophobicContact CZ2-CD2 4.25Å; W35-Y45 HydrophobicContact CZ2-CG 4.24Å; W35-Y45 AromaticContact NE1-CD1 3.81Å; W35-Y45 AromaticContact NE1-CD2 2.97Å; W35-Y45 AromaticContact NE1-CE2 3.2Å; W35-Y45 AromaticContact NE1-CG 3.27Å; W35-Y45 VanDerWaalsContact NE1-CG 3.27Å; W35-Y45 AromaticContact NE1-CZ 3.74Å; W35-V47 HydrophobicContact CH2-CG2 3.33Å; W35-V47 HydrophobicContact CZ2-CG2 4.03Å; W35-V47 HydrophobicContact CZ3-CG2 3.75Å; W35-A67 WeakPolarHBondContact CZ2-O 3.38Å; W35-T68 PolarHBondContact N-O 2.95Å; W35-T68 VanDerWaalsContact O-CB 3.28Å; W35-T68 WeakPolarHBondContact O-CB 3.47Å; W35-M69 VanDerWaalsContact CH2-C 3.46Å; W35-C70 HydrophobicContact CH2-CB 3.72Å; W35-C70 HydrophobicContact CZ3-CB 3.83Å; W35-I87 HydrophobicContact CD2-CG1 3.99Å; W35-I87 HydrophobicContact CD2-CG2 4.02Å; W35-I87 HydrophobicContact CE3-CG1 3.92Å; W35-I87 HydrophobicContact CG-CG1 4.4Å; W35-I87 HydrophobicContact CG-CG2 4.21Å; W35-I87 HydrophobicContact CZ2-CG2 4.26Å; W35-I87 HydrophobicContact CZ3-CG1 4.37Å
36	G	96.9	Very high	95.9	Very high	16 Å²	16	36.1 Å²	36.1	17%	0.165	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	-176.6	165.2	0	0	0	0	0	110.6	A19 Q20	A19-G36 CarbonylContact C-O 3.58Å; A19-G36 VanDerWaalsContact CA-O 3.28Å; A19-G36 WeakPolarHBondContact CA-O 3.48Å; Q20-G36 PolarHBondContact N-O 3.46Å; Q20-G36 PolarHBondContact O-N 3.34Å
37	P	96.2	Very high	95.8	Very high	58 Å²	58	35.7 Å²	35.7	38%	0.377	21%	0.21	S	C	.	.	S	Bend	cis	-73.4	172.7	-11.4	32.1	-36	0	0	0	112.4	Y45	P37-Y45 WeakPolarHBondContact CD-OH 3.3Å; P37-Y45 WeakPolarHBondContact O-CE2 3.36Å; P37-Y45 PolarHBondContact O-OH 3.13Å
38	Q	95.4	Very high	95.7	Very high	122 Å²	122	34.2 Å²	34.2	57%	0.57	20%	0.201	S	C	*	.	P	Polyproline II helix	trans	-59.8	135.5	170.8	-77.7	-69.8	-6.2	0	0	111.1	Y43 N66 T68	Q38-Y43 PolarHBondContact O-OH 3.46Å; Q38-N66 PolarHBondContact OE1-O 2.96Å; Q38-T68 HydrophobicContact CB-CG2 4.37Å; Q38-T68 VanDerWaalsContact CD-CG2 3.41Å; Q38-T68 HydrophobicContact CG-CG2 4Å; Q38-T68 PolarHBondContact NE2-OG1 2.97Å
39	P	93.4	Very high	95.7	Very high	23 Å²	23	33.4 Å²	33.4	15%	0.149	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-56.3	142	174.5	-27.8	39	0	0	0	113.5	Y43 Y45 N66	P39-Y43 HydrophobicContact CB-CD2 4.37Å; P39-Y43 HydrophobicContact CB-CE2 4.13Å; P39-Y43 WeakPolarHBondContact CB-O 3.23Å; P39-Y43 HydrophobicContact CG-CE2 4.39Å; P39-Y45 HydrophobicContact CG-CD2 3.39Å; P39-Y45 HydrophobicContact CG-CE2 3.41Å; P39-Y45 VanDerWaalsContact CG-CE2 3.41Å; P39-Y45 HydrophobicContact CG-CG 4.48Å; P39-N66 VanDerWaalsContact CD-O 3.3Å; P39-N66 WeakPolarHBondContact CD-O 3.45Å
40	S	90.4	Very high	95.6	Very high	54 Å²	54	34.8 Å²	34.8	38%	0.378	20%	0.202	S	C	.	.			trans	-89.8	-176.2	166	74.2	0	0	0	0	110.6	D42 Y43	S40-D42 PolarHBondContact O-N 3.28Å; S40-D42 PolarHBondContact OG-N 2.98Å; S40-Y43 VanDerWaalsContact OG-CD1 3.29Å; S40-Y43 WeakPolarHBondContact OG-CD1 3.46Å; S40-Y43 WeakPolarHBondContact OG-CE1 3.48Å
41	A	89.4	Confident	95.5	Very high	91 Å²	91	31.6 Å²	31.6	75%	0.752	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-17.7	175.2	0	0	0	0	0	113.7	P92	A41-P92 VanDerWaalsContact O-CG 3.22Å; A41-P92 WeakPolarHBondContact O-CG 2.82Å
42	D	90.4	Very high	94.6	Very high	102 Å²	102	34.6 Å²	34.6	55%	0.545	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-9.8	-171	-54.4	-48.7	0	0	0	113.3	Y16 S40 P92	Y16-D42 VanDerWaalsContact CE1-O 3.24Å; Y16-D42 WeakPolarHBondContact CE1-O 3.33Å; S40-D42 PolarHBondContact O-N 3.28Å; S40-D42 PolarHBondContact OG-N 2.98Å; D42-P92 WeakPolarHBondContact O-CD 3.39Å
43	Y	92.7	Very high	93.7	Very high	14 Å²	14	37.5 Å²	37.5	6%	0.055	25%	0.251	C	S	.	.			trans	-151.3	167.6	-179.3	76.6	-82.1	0	0	0	112.8	Y16 P17 Q38 P39 S40 Y45 K90	Y16-Y43 HydrophobicContact CD1-CG 4.42Å; P17-Y43 HydrophobicContact CG-CD1 4.29Å; P17-Y43 HydrophobicContact CG-CD2 4.38Å; P17-Y43 HydrophobicContact CG-CE1 3.68Å; P17-Y43 HydrophobicContact CG-CE2 3.77Å; Q38-Y43 PolarHBondContact O-OH 3.46Å; P39-Y43 HydrophobicContact CB-CD2 4.37Å; P39-Y43 HydrophobicContact CB-CE2 4.13Å; P39-Y43 WeakPolarHBondContact CB-O 3.23Å; P39-Y43 HydrophobicContact CG-CE2 4.39Å; S40-Y43 VanDerWaalsContact OG-CD1 3.29Å; S40-Y43 WeakPolarHBondContact OG-CD1 3.46Å; S40-Y43 WeakPolarHBondContact OG-CE1 3.48Å; Y43-Y45 HydrophobicContact CD2-CE1 4.4Å; Y43-Y45 AromaticContact CE2-CE1 3.94Å; Y43-Y45 HydrophobicContact CE2-CE1 3.94Å; Y43-Y45 HydrophobicContact CE2-CE2 4.08Å; Y43-Y45 AromaticContact CE2-CZ 3.6Å; Y43-K90 CarbonylContact C-O 3.59Å; Y43-K90 WeakPolarHBondContact CA-O 3.24Å
44	S	95.1	Very high	93.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	167.1	-179.3	65.4	0	0	0	0	108.8	R64 K90 P91	S44-R64 VanDerWaalsContact OG-CA 3.28Å; S44-R64 WeakPolarHBondContact OG-CA 3.29Å; S44-R64 WeakPolarHBondContact OG-CB 3.37Å; S44-K90 PolarHBondContact N-O 2.81Å; S44-K90 PolarHBondContact O-N 2.77Å; S44-K90 VanDerWaalsContact O-O 3.09Å; S44-K90 PolarHBondContact OG-O 2.99Å; S44-K90 VanDerWaalsContact OG-O 3.08Å; S44-P91 PolarHBondContact OG-O 2.86Å
45	Y	95.7	Very high	93	Very high	1 Å²	1	44.1 Å²	44.1	0%	0.004	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	142.4	177.1	-64.4	-65.4	0	0	0	112.3	A19 W35 P37 P39 Y43 R64 S65 T68 I87 L88 S89	A19-Y45 HydrophobicContact CB-CE1 4.07Å; W35-Y45 AromaticContact CD1-CD2 3.9Å; W35-Y45 AromaticContact CD1-CE2 3.65Å; W35-Y45 AromaticContact CD1-CZ 3.84Å; W35-Y45 AromaticContact CE2-CD2 3.91Å; W35-Y45 HydrophobicContact CZ2-CD2 4.25Å; W35-Y45 HydrophobicContact CZ2-CG 4.24Å; W35-Y45 AromaticContact NE1-CD1 3.81Å; W35-Y45 AromaticContact NE1-CD2 2.97Å; W35-Y45 AromaticContact NE1-CE2 3.2Å; W35-Y45 AromaticContact NE1-CG 3.27Å; W35-Y45 VanDerWaalsContact NE1-CG 3.27Å; W35-Y45 AromaticContact NE1-CZ 3.74Å; P37-Y45 WeakPolarHBondContact CD-OH 3.3Å; P37-Y45 WeakPolarHBondContact O-CE2 3.36Å; P37-Y45 PolarHBondContact O-OH 3.13Å; P39-Y45 HydrophobicContact CG-CD2 3.39Å; P39-Y45 HydrophobicContact CG-CE2 3.41Å; P39-Y45 VanDerWaalsContact CG-CE2 3.41Å; P39-Y45 HydrophobicContact CG-CG 4.48Å; Y43-Y45 HydrophobicContact CD2-CE1 4.4Å; Y43-Y45 AromaticContact CE2-CE1 3.94Å; Y43-Y45 HydrophobicContact CE2-CE1 3.94Å; Y43-Y45 HydrophobicContact CE2-CE2 4.08Å; Y43-Y45 AromaticContact CE2-CZ 3.6Å; Y45-R64 CarbonylContact O-C 3.47Å; Y45-R64 VanDerWaalsContact O-CA 3.27Å; Y45-R64 WeakPolarHBondContact O-CA 3.41Å; Y45-R64 PolarHBondContact O-N 3.08Å; Y45-S65 PolarHBondContact N-O 2.87Å; Y45-S65 PolarHBondContact O-N 3.02Å; Y45-T68 HydrophobicContact CE2-CG2 4.4Å; Y45-I87 HydrophobicContact CD1-CG2 3.6Å; Y45-I87 HydrophobicContact CE1-CG2 4.27Å; Y45-I87 HydrophobicContact CG-CG2 3.99Å; Y45-L88 CarbonylContact C-O 3.59Å; Y45-L88 WeakPolarHBondContact CA-O 3.2Å; Y45-S89 WeakPolarHBondContact CE1-OG 3.39Å
46	T	95.6	Very high	92.8	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.012	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	127.6	167.5	-61.8	0	0	0	0	109.1	C62 I63 R64 L88	T46-C62 VanDerWaalsContact CA-O 3.31Å; T46-C62 WeakPolarHBondContact CA-O 3.29Å; T46-I63 HydrophobicContact CG2-CG1 4.47Å; T46-I63 HydrophobicContact CG2-CG2 4.42Å; T46-R64 PolarHBondContact OG1-N 2.86Å; T46-L88 PolarHBondContact N-O 2.81Å; T46-L88 WeakPolarHBondContact O-CD1 3.22Å; T46-L88 PolarHBondContact O-N 3.31Å
47	V	97.3	Very high	92.6	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.006	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	124.6	176.9	-178.6	0	0	0	0	110.2	L33 W35 C62 C70 L72 A85 D86 I87	L33-V47 HydrophobicContact CD2-CG1 3.97Å; W35-V47 HydrophobicContact CH2-CG2 3.33Å; W35-V47 HydrophobicContact CZ2-CG2 4.03Å; W35-V47 HydrophobicContact CZ3-CG2 3.75Å; V47-C62 HydrophobicContact CB-CB 3.97Å; V47-C62 HydrophobicContact CG2-CB 4.1Å; V47-C62 PolarHBondContact N-O 3.48Å; V47-C70 HydrophobicContact CB-CB 4.37Å; V47-C70 HydrophobicContact CG2-CB 3.82Å; V47-L72 HydrophobicContact CG1-CD1 4.29Å; V47-A85 HydrophobicContact CG1-CB 4.28Å; V47-D86 WeakPolarHBondContact CA-O 3.42Å; V47-I87 HydrophobicContact CG2-CG1 4.42Å
48	E	96.3	Very high	92.4	Very high	17 Å²	17	58.8 Å²	58.8	8%	0.079	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	136	166.9	-74	174.8	-169	0	0	108.4	R56 K57 R58 A85 D86 L88	E48-R56 VanDerWaalsContact OE2-CD 3.29Å; E48-R56 WeakPolarHBondContact OE2-CD 3.23Å; E48-K57 CarbonylContact C-O 3.47Å; E48-K57 VanDerWaalsContact CA-O 3.29Å; E48-K57 WeakPolarHBondContact CA-O 3.27Å; E48-R58 HydrophobicContact CG-CG 3.62Å; E48-R58 IonicContact OE1-CZ 3.67Å; E48-R58 IonicContact OE1-NE 2.68Å; E48-R58 PolarHBondContact OE1-NE 3.47Å; E48-R58 IonicContact OE1-NH2 3.14Å; E48-R58 PolarHBondContact OE1-NH2 2.84Å; E48-A85 CarbonylContact O-C 3.57Å; E48-A85 WeakPolarHBondContact O-CA 3.39Å; E48-A85 WeakPolarHBondContact O-CB 3.38Å; E48-D86 HydrophobicContact CB-CB 4.48Å; E48-D86 PolarHBondContact N-O 3.46Å; E48-D86 PolarHBondContact O-N 3.06Å; E48-L88 HydrophobicContact CB-CD1 4.05Å; E48-L88 HydrophobicContact CG-CD1 3.82Å
49	F	96.6	Very high	92	Very high	7 Å²	7	53.4 Å²	53.4	3%	0.031	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	151	179.1	69.8	-82.6	0	0	0	110.3	K57 N59 L72 S75 L76 Y83 S84 A85	F49-K57 HydrophobicContact CD1-CB 4.36Å; F49-K57 WeakPolarHBondContact CD1-O 3.21Å; F49-K57 HydrophobicContact CD2-CB 4.45Å; F49-K57 HydrophobicContact CE1-CB 3.8Å; F49-K57 HydrophobicContact CE2-CB 3.9Å; F49-K57 HydrophobicContact CE2-CD 4.16Å; F49-K57 HydrophobicContact CZ-CB 3.51Å; F49-K57 HydrophobicContact CZ-CD 4.27Å; F49-K57 PolarHBondContact N-O 3.44Å; F49-K57 PolarHBondContact O-N 2.81Å; F49-N59 HydrophobicContact CE1-CB 4.43Å; F49-L72 HydrophobicContact CB-CD1 4.34Å; F49-L72 HydrophobicContact CD1-CD2 3.89Å; F49-L72 HydrophobicContact CE1-CD2 4.23Å; F49-L72 HydrophobicContact CG-CD2 4.45Å; F49-S75 VanDerWaalsContact CZ-CB 3.47Å; F49-L76 HydrophobicContact CD2-CD2 3.82Å; F49-L76 HydrophobicContact CE2-CD2 4.21Å; F49-Y83 HydrophobicContact CD2-CD1 4.22Å; F49-Y83 HydrophobicContact CD2-CE1 4.45Å; F49-S84 WeakPolarHBondContact CA-O 3.24Å; F49-A85 HydrophobicContact CB-CB 4.15Å
50	F	96.4	Very high	91.8	Very high	34 Å²	34	59.3 Å²	59.3	15%	0.149	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	148.9	-176.5	51.8	-84.6	0	0	0	110.5	D55 R56 Y83 S84	F50-D55 WeakPolarHBondContact CB-O 3.47Å; F50-R56 HydrophobicContact CD1-CG 4.01Å; F50-R56 HydrophobicContact CG-CG 4.47Å; F50-Y83 VanDerWaalsContact O-CA 3.27Å; F50-Y83 WeakPolarHBondContact O-CA 3.45Å; F50-S84 PolarHBondContact N-O 2.88Å; F50-S84 PolarHBondContact O-N 3.36Å
51	V	95.3	Very high	91.7	Very high	32 Å²	32	64 Å²	64	19%	0.194	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	144.2	162.9	176.1	0	0	0	0	107.6	G53 G54 C82 Y83	V51-G53 PolarHBondContact O-N 3.34Å; V51-G53 VanDerWaalsContact O-N 3.07Å; V51-G54 PolarHBondContact O-N 2.87Å; V51-C82 WeakPolarHBondContact CA-O 3.32Å; V51-Y83 HydrophobicContact CG2-CD1 3.8Å; V51-Y83 HydrophobicContact CG2-CE1 3.39Å
52	A	81.3	Confident	91.9	Very high	65 Å²	65	59.9 Å²	59.9	54%	0.537	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	117.9	178.3	0	0	0	0	0	111.7	G54 C82 L109	A52-G54 VanDerWaalsContact C-N 3.35Å; A52-C82 PolarHBondContact N-O 2.9Å; A52-C82 VanDerWaalsContact N-O 3.09Å; A52-L109 HydrophobicContact CB-CD1 4.46Å
53	G	78.9	Confident	92.1	Very high	90 Å²	90	57.7 Å²	57.7	93%	0.928	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.1	4.3	-177.4	0	0	0	0	0	115.9	V51	V51-G53 PolarHBondContact O-N 3.34Å; V51-G53 VanDerWaalsContact O-N 3.07Å
54	G	89.3	Confident	92	Very high	39 Å²	39	60.1 Å²	60.1	40%	0.402	32%	0.321	S	S	.	.	S	Bend	trans	-103	-178.5	177.5	0	0	0	0	0	114.3	V51 A52	V51-G54 PolarHBondContact O-N 2.87Å; A52-G54 VanDerWaalsContact C-N 3.35Å
55	D	92.1	Very high	91.9	Very high	138 Å²	138	61.6 Å²	61.6	74%	0.738	33%	0.332	S	S	*	.			trans	-72.9	147.3	179.7	-66.4	-40.5	0	0	0	113	F50 K57	F50-D55 WeakPolarHBondContact CB-O 3.47Å; D55-K57 PolarHBondContact O-N 3.22Å
56	R	93.5	Very high	91.9	Very high	159 Å²	159	66.5 Å²	66.5	60%	0.6	36%	0.358	S	S	*	.			trans	-72.2	125.1	173.8	-64.9	-171.7	177.5	85.6	-2.6	110.7	E48 F50 D86	E48-R56 VanDerWaalsContact OE2-CD 3.29Å; E48-R56 WeakPolarHBondContact OE2-CD 3.23Å; F50-R56 HydrophobicContact CD1-CG 4.01Å; F50-R56 HydrophobicContact CG-CG 4.47Å; R56-D86 IonicContact CZ-OD2 2.8Å; R56-D86 IonicContact NE-OD2 3.74Å; R56-D86 PolarHBondContact NE-OD2 3.38Å; R56-D86 IonicContact NH2-OD2 3.99Å
57	K	94.4	Very high	91.9	Very high	100 Å²	100	68.1 Å²	68.1	44%	0.435	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	157	175.1	-61.9	176.8	-174.6	173.1	0	109.5	E48 F49 D55	E48-K57 CarbonylContact C-O 3.47Å; E48-K57 VanDerWaalsContact CA-O 3.29Å; E48-K57 WeakPolarHBondContact CA-O 3.27Å; F49-K57 HydrophobicContact CD1-CB 4.36Å; F49-K57 WeakPolarHBondContact CD1-O 3.21Å; F49-K57 HydrophobicContact CD2-CB 4.45Å; F49-K57 HydrophobicContact CE1-CB 3.8Å; F49-K57 HydrophobicContact CE2-CB 3.9Å; F49-K57 HydrophobicContact CE2-CD 4.16Å; F49-K57 HydrophobicContact CZ-CB 3.51Å; F49-K57 HydrophobicContact CZ-CD 4.27Å; F49-K57 PolarHBondContact N-O 3.44Å; F49-K57 PolarHBondContact O-N 2.81Å; D55-K57 PolarHBondContact O-N 3.22Å
58	R	90.1	Very high	91.8	Very high	143 Å²	143	69.5 Å²	69.5	54%	0.54	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	141.8	176.9	-71.4	177.9	-174.6	153.8	6.2	110	E48 I63	E48-R58 HydrophobicContact CG-CG 3.62Å; E48-R58 IonicContact OE1-CZ 3.67Å; E48-R58 IonicContact OE1-NE 2.68Å; E48-R58 PolarHBondContact OE1-NE 3.47Å; E48-R58 IonicContact OE1-NH2 3.14Å; E48-R58 PolarHBondContact OE1-NH2 2.84Å; R58-I63 HydrophobicContact CB-CD1 4.31Å
59	N	88.1	Confident	91.9	Very high	9 Å²	9	73.6 Å²	73.6	5%	0.048	40%	0.4	C	S	.	.			trans	-93.2	125.4	165.3	-176.7	-40.1	0	0	0	108.3	F49 H61 C62 I63 D71 L72 S75	F49-N59 HydrophobicContact CE1-CB 4.43Å; N59-H61 PolarHBondContact O-N 3.37Å; N59-H61 WeakPolarHBondContact OD1-CB 3.49Å; N59-H61 PolarHBondContact OD1-CD2 2.84Å; N59-H61 PolarHBondContact OD1-N 3.25Å; N59-C62 PolarHBondContact O-N 2.9Å; N59-I63 WeakPolarHBondContact O-CG1 3.37Å; N59-D71 PolarHBondContact ND2-O 3.4Å; N59-D71 VanDerWaalsContact ND2-O 3.12Å; N59-L72 HydrophobicContact CB-CD2 3.75Å; N59-S75 PolarHBondContact ND2-OG 3.3Å
60	L	88.6	Confident	92	Very high	148 Å²	148	73.4 Å²	73.4	78%	0.775	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-58.5	-29.7	-177.8	-68.7	172	0	0	0	113.3	C62 I63	L60-C62 PolarHBondContact O-N 3.26Å; L60-I63 HydrophobicContact CD2-CD1 4.01Å
61	H	89.1	Confident	92	Very high	151 Å²	151	74.4 Å²	74.4	70%	0.699	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-74.5	-9	178.8	-59.4	-63.1	0	0	0	113.6	N59	N59-H61 PolarHBondContact O-N 3.37Å; N59-H61 WeakPolarHBondContact OD1-CB 3.49Å; N59-H61 PolarHBondContact OD1-CD2 2.84Å; N59-H61 PolarHBondContact OD1-N 3.25Å
62	C	93.6	Very high	92.1	Very high	6 Å²	6	72.9 Å²	72.9	4%	0.041	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-124.7	28.7	-174.3	-50.5	0	0	0	0	112.4	T46 V47 N59 L60 C70	T46-C62 VanDerWaalsContact CA-O 3.31Å; T46-C62 WeakPolarHBondContact CA-O 3.29Å; V47-C62 HydrophobicContact CB-CB 3.97Å; V47-C62 HydrophobicContact CG2-CB 4.1Å; V47-C62 PolarHBondContact N-O 3.48Å; N59-C62 PolarHBondContact O-N 2.9Å; L60-C62 PolarHBondContact O-N 3.26Å; C62-C70 HydrophobicContact CB-CB 3.78Å; C62-C70 WeakPolarHBondContact CB-SG 3.41Å; C62-C70 VanDerWaalsContact SG-CA 3.51Å; C62-C70 WeakPolarHBondContact SG-CB 3.47Å; C62-C70 CovalentContact SG-SG 2.02Å; C62-C70 PolarHBondContact SG-SG 3.5Å
63	I	93.8	Very high	92.8	Very high	56 Å²	56	70.2 Å²	70.2	29%	0.287	38%	0.375	S	S	.	.	S	Bend	trans	-100.7	125.2	175.6	-59.7	177.5	0	0	0	109.1	T46 R58 N59 L60 S65	T46-I63 HydrophobicContact CG2-CG1 4.47Å; T46-I63 HydrophobicContact CG2-CG2 4.42Å; R58-I63 HydrophobicContact CB-CD1 4.31Å; N59-I63 WeakPolarHBondContact O-CG1 3.37Å; L60-I63 HydrophobicContact CD2-CD1 4.01Å; I63-S65 PolarHBondContact O-N 3.44Å; I63-S65 VanDerWaalsContact O-N 3.14Å
64	R	92.3	Very high	93.4	Very high	65 Å²	65	71.5 Å²	71.5	25%	0.245	36%	0.359	C	S	.	.	S	Bend	trans	43.8	45.7	-178.1	-66.8	-173.2	179.6	-162.7	2	112.4	S44 Y45 T46 P91 P92 L93 T95	S44-R64 VanDerWaalsContact OG-CA 3.28Å; S44-R64 WeakPolarHBondContact OG-CA 3.29Å; S44-R64 WeakPolarHBondContact OG-CB 3.37Å; Y45-R64 CarbonylContact O-C 3.47Å; Y45-R64 VanDerWaalsContact O-CA 3.27Å; Y45-R64 WeakPolarHBondContact O-CA 3.41Å; Y45-R64 PolarHBondContact O-N 3.08Å; T46-R64 PolarHBondContact OG1-N 2.86Å; R64-P91 WeakPolarHBondContact CD-O 3.5Å; R64-P92 PolarHBondContact NH1-O 2.84Å; R64-L93 HydrophobicContact CB-CD1 4.17Å; R64-L93 HydrophobicContact CB-CD2 4.21Å; R64-L93 HydrophobicContact CB-CG 3.67Å; R64-T95 PolarHBondContact NH1-O 3.47Å
65	S	92.8	Very high	93.6	Very high	31 Å²	31	70.8 Å²	70.8	22%	0.217	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-86.9	146.6	-178.1	-177	0	0	0	0	111	Y45 I63 A67	Y45-S65 PolarHBondContact N-O 2.87Å; Y45-S65 PolarHBondContact O-N 3.02Å; I63-S65 PolarHBondContact O-N 3.44Å; I63-S65 VanDerWaalsContact O-N 3.14Å; S65-A67 VanDerWaalsContact C-N 3.26Å; S65-A67 WeakPolarHBondContact OG-CB 3.5Å; S65-A67 PolarHBondContact OG-N 3.38Å; S65-A67 VanDerWaalsContact OG-N 3.08Å
66	N	93.9	Very high	93.7	Very high	104 Å²	104	64.5 Å²	64.5	56%	0.556	31%	0.314	S	S	*	.	S	Bend	trans	-86.7	-0.5	170.8	-66.6	2.9	0	0	0	112	Q38 P39	Q38-N66 PolarHBondContact OE1-O 2.96Å; P39-N66 VanDerWaalsContact CD-O 3.3Å; P39-N66 WeakPolarHBondContact CD-O 3.45Å
67	A	95.6	Very high	93.6	Very high	36 Å²	36	61.7 Å²	61.7	30%	0.298	32%	0.315	S	S	.	.			trans	-79.2	151.7	176.5	0	0	0	0	0	111.6	W35 S65 M69	W35-A67 WeakPolarHBondContact CZ2-O 3.38Å; S65-A67 VanDerWaalsContact C-N 3.26Å; S65-A67 WeakPolarHBondContact OG-CB 3.5Å; S65-A67 PolarHBondContact OG-N 3.38Å; S65-A67 VanDerWaalsContact OG-N 3.08Å; A67-M69 VanDerWaalsContact C-N 3.34Å
68	T	97.1	Very high	93.6	Very high	29 Å²	29	61 Å²	61	18%	0.178	31%	0.313	C	S	.	.	S	Bend	trans	-101.4	23.4	172.1	53.3	0	0	0	0	112.5	S34 W35 Q38 Y45	S34-T68 WeakPolarHBondContact CA-O 3.36Å; W35-T68 PolarHBondContact N-O 2.95Å; W35-T68 VanDerWaalsContact O-CB 3.28Å; W35-T68 WeakPolarHBondContact O-CB 3.47Å; Q38-T68 HydrophobicContact CB-CG2 4.37Å; Q38-T68 VanDerWaalsContact CD-CG2 3.41Å; Q38-T68 HydrophobicContact CG-CG2 4Å; Q38-T68 PolarHBondContact NE2-OG1 2.97Å; Y45-T68 HydrophobicContact CE2-CG2 4.4Å
69	M	97.6	Very high	93.8	Very high	104 Å²	104	55.6 Å²	55.6	51%	0.512	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	151.5	174.6	58.9	172.5	-92.4	0	0	110.3	V32 L33 W35 A67	V32-M69 HydrophobicContact CG1-CB 3.96Å; V32-M69 HydrophobicContact CG1-CE 4.05Å; L33-M69 CarbonylContact O-C 3.56Å; L33-M69 WeakPolarHBondContact O-CA 3.39Å; W35-M69 VanDerWaalsContact CH2-C 3.46Å; A67-M69 VanDerWaalsContact C-N 3.34Å
70	C	97.7	Very high	94.2	Very high	2 Å²	2	62.9 Å²	62.9	1%	0.014	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	124.1	172.8	179.3	0	0	0	0	109.7	V32 L33 W35 V47 C62 L72	V32-C70 WeakPolarHBondContact CA-O 3.28Å; L33-C70 PolarHBondContact N-O 3.45Å; L33-C70 PolarHBondContact O-N 3.24Å; W35-C70 HydrophobicContact CH2-CB 3.72Å; W35-C70 HydrophobicContact CZ3-CB 3.83Å; V47-C70 HydrophobicContact CB-CB 4.37Å; V47-C70 HydrophobicContact CG2-CB 3.82Å; C62-C70 HydrophobicContact CB-CB 3.78Å; C62-C70 WeakPolarHBondContact CB-SG 3.41Å; C62-C70 VanDerWaalsContact SG-CA 3.51Å; C62-C70 WeakPolarHBondContact SG-CB 3.47Å; C62-C70 CovalentContact SG-SG 2.02Å; C62-C70 PolarHBondContact SG-SG 3.5Å; C70-L72 PolarHBondContact O-N 3.4Å; C70-L72 VanDerWaalsContact SG-CD2 3.51Å
71	D	97.4	Very high	94.5	Very high	56 Å²	56	57.2 Å²	57.2	30%	0.299	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	113.1	172	-172.7	-14.6	0	0	0	109.6	K30 V32 N59 S73	K30-D71 WeakPolarHBondContact CE-OD2 3.35Å; K30-D71 IonicContact NZ-OD1 2.57Å; K30-D71 IonicContact NZ-OD2 2.61Å; K30-D71 PolarHBondContact NZ-OD2 3.34Å; V32-D71 HydrophobicContact CG2-CB 4.49Å; N59-D71 PolarHBondContact ND2-O 3.4Å; N59-D71 VanDerWaalsContact ND2-O 3.12Å; D71-S73 VanDerWaalsContact OD1-CB 3.25Å; D71-S73 WeakPolarHBondContact OD1-CB 3.37Å; D71-S73 PolarHBondContact OD1-N 3.27Å; D71-S73 PolarHBondContact OD1-OG 3.18Å
72	L	97	Very high	94.9	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.275	C	S	.	.			trans	-108.4	9.4	-178.8	-67.6	174.5	0	0	0	112.1	W24 T31 L33 V47 F49 N59 C70 I74 S75 L76	W24-L72 HydrophobicContact CH2-CD1 3.59Å; W24-L72 HydrophobicContact CZ3-CD1 3.69Å; T31-L72 PolarHBondContact O-N 3.11Å; L33-L72 HydrophobicContact CB-CD1 4.34Å; L33-L72 HydrophobicContact CD2-CD1 4.47Å; V47-L72 HydrophobicContact CG1-CD1 4.29Å; F49-L72 HydrophobicContact CB-CD1 4.34Å; F49-L72 HydrophobicContact CD1-CD2 3.89Å; F49-L72 HydrophobicContact CE1-CD2 4.23Å; F49-L72 HydrophobicContact CG-CD2 4.45Å; N59-L72 HydrophobicContact CB-CD2 3.75Å; C70-L72 PolarHBondContact O-N 3.4Å; C70-L72 VanDerWaalsContact SG-CD2 3.51Å; L72-I74 VanDerWaalsContact C-N 3.28Å; L72-I74 PolarHBondContact O-N 3.19Å; L72-S75 WeakPolarHBondContact O-CA 3.29Å; L72-S75 WeakPolarHBondContact O-CB 3.39Å; L72-S75 PolarHBondContact O-N 2.81Å; L72-L76 HydrophobicContact CB-CD1 4.38Å; L72-L76 HydrophobicContact CB-CD2 4.39Å; L72-L76 HydrophobicContact CB-CG 4.09Å; L72-L76 WeakPolarHBondContact O-CG 3.32Å; L72-L76 PolarHBondContact O-N 2.69Å; L72-L76 VanDerWaalsContact O-N 3.09Å
73	S	95.8	Very high	95	Very high	9 Å²	9	51.3 Å²	51.3	6%	0.063	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-43.6	-174.2	-49.1	0	0	0	0	113	K30 T31 D71 S75	K30-S73 WeakPolarHBondContact CA-OG 3.39Å; K30-S73 WeakPolarHBondContact CD-OG 3.33Å; T31-S73 PolarHBondContact N-OG 3.36Å; T31-S73 PolarHBondContact O-N 3.48Å; T31-S73 PolarHBondContact O-OG 3.38Å; D71-S73 VanDerWaalsContact OD1-CB 3.25Å; D71-S73 WeakPolarHBondContact OD1-CB 3.37Å; D71-S73 PolarHBondContact OD1-N 3.27Å; D71-S73 PolarHBondContact OD1-OG 3.18Å; S73-S75 VanDerWaalsContact C-N 3.31Å
74	I	92.5	Very high	95.2	Very high	117 Å²	117	49.4 Å²	49.4	60%	0.6	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-13.5	179.9	64	170.7	0	0	0	113.4	L72	L72-I74 VanDerWaalsContact C-N 3.28Å; L72-I74 PolarHBondContact O-N 3.19Å
75	S	93.6	Very high	95.4	Very high	24 Å²	24	46.3 Å²	46.3	17%	0.168	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-30.2	-174.8	-61.6	0	0	0	0	112.7	F49 N59 L72 S73 T77	F49-S75 VanDerWaalsContact CZ-CB 3.47Å; N59-S75 PolarHBondContact ND2-OG 3.3Å; L72-S75 WeakPolarHBondContact O-CA 3.29Å; L72-S75 WeakPolarHBondContact O-CB 3.39Å; L72-S75 PolarHBondContact O-N 2.81Å; S73-S75 VanDerWaalsContact C-N 3.31Å; S75-T77 VanDerWaalsContact C-N 3.29Å; S75-T77 PolarHBondContact O-N 2.78Å; S75-T77 VanDerWaalsContact O-N 3.1Å
76	L	94.4	Very high	95.6	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.026	25%	0.246	C	C	.	.			trans	-86.4	63.9	-177.9	-54.9	-172.6	0	0	0	111.1	W24 T31 F49 L72 Y83 F110 P112	W24-L76 HydrophobicContact CZ3-CD1 4.27Å; T31-L76 HydrophobicContact CG2-CD1 3.76Å; F49-L76 HydrophobicContact CD2-CD2 3.82Å; F49-L76 HydrophobicContact CE2-CD2 4.21Å; L72-L76 HydrophobicContact CB-CD1 4.38Å; L72-L76 HydrophobicContact CB-CD2 4.39Å; L72-L76 HydrophobicContact CB-CG 4.09Å; L72-L76 WeakPolarHBondContact O-CG 3.32Å; L72-L76 PolarHBondContact O-N 2.69Å; L72-L76 VanDerWaalsContact O-N 3.09Å; L76-Y83 HydrophobicContact CB-CE2 4.11Å; L76-Y83 HydrophobicContact CD1-CD2 4.49Å; L76-Y83 HydrophobicContact CD2-CD1 3.51Å; L76-Y83 HydrophobicContact CD2-CD2 4.09Å; L76-Y83 HydrophobicContact CD2-CE1 3.67Å; L76-Y83 HydrophobicContact CD2-CE2 4.27Å; L76-Y83 HydrophobicContact CD2-CG 3.71Å; L76-F110 HydrophobicContact CD1-CD1 4.22Å; L76-F110 HydrophobicContact CD1-CE1 4.18Å; L76-P112 HydrophobicContact CD1-CG 4.33Å
77	T	90.8	Very high	95.7	Very high	100 Å²	100	40.2 Å²	40.2	61%	0.613	22%	0.219	S	C	*	.			trans	-76.1	-29.3	-170.6	54.7	0	0	0	0	114.1	S75 L79	S75-T77 VanDerWaalsContact C-N 3.29Å; S75-T77 PolarHBondContact O-N 2.78Å; S75-T77 VanDerWaalsContact O-N 3.1Å; T77-L79 PolarHBondContact O-N 3.48Å; T77-L79 VanDerWaalsContact O-N 3.1Å
78	E	94.3	Very high	95.7	Very high	85 Å²	85	39.5 Å²	39.5	40%	0.397	21%	0.21	S	C	.	.			trans	-82.6	85	175.5	-55.3	167.7	-141.4	0	0	109.7	K80 S81 Y83	E78-K80 VanDerWaalsContact C-N 3.25Å; E78-K80 PolarHBondContact O-N 2.78Å; E78-S81 WeakPolarHBondContact CB-OG 3.49Å; E78-S81 WeakPolarHBondContact O-CB 3.35Å; E78-S81 PolarHBondContact O-N 2.82Å; E78-S81 PolarHBondContact OE2-OG 3.27Å; E78-Y83 WeakPolarHBondContact CA-OH 3.37Å; E78-Y83 VanDerWaalsContact CB-OH 3.29Å; E78-Y83 WeakPolarHBondContact CB-OH 3.47Å; E78-Y83 PolarHBondContact N-OH 2.68Å; E78-Y83 WeakPolarHBondContact O-CE2 3.23Å; E78-Y83 PolarHBondContact O-OH 3.12Å; E78-Y83 VanDerWaalsContact O-OH 3.12Å
79	L	94.9	Very high	95.6	Very high	31 Å²	31	38.1 Å²	38.1	16%	0.162	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-33.6	-170.1	-56.7	-176.6	0	0	0	113.9	F29 T77 S81 Y113 V145 I157	F29-L79 HydrophobicContact CD1-CD1 4.45Å; F29-L79 HydrophobicContact CD1-CD2 3.78Å; F29-L79 HydrophobicContact CE1-CB 4.27Å; F29-L79 HydrophobicContact CE1-CD1 4.13Å; F29-L79 HydrophobicContact CE1-CD2 4.02Å; F29-L79 HydrophobicContact CE1-CG 4.37Å; F29-L79 HydrophobicContact CZ-CD1 4.47Å; T77-L79 PolarHBondContact O-N 3.48Å; T77-L79 VanDerWaalsContact O-N 3.1Å; L79-S81 VanDerWaalsContact C-N 3.33Å; L79-Y113 WeakPolarHBondContact O-CB 3.33Å; L79-Y113 PolarHBondContact O-N 2.92Å; L79-V145 HydrophobicContact CD1-CG1 4.31Å; L79-V145 HydrophobicContact CD1-CG2 4.09Å; L79-V145 HydrophobicContact CD2-CG2 3.84Å; L79-I157 HydrophobicContact CD1-CD1 3.94Å; L79-I157 HydrophobicContact CD1-CG1 4.16Å; L79-I157 HydrophobicContact CD1-CG2 3.87Å
80	K	94.8	Very high	95.4	Very high	161 Å²	161	34.3 Å²	34.3	70%	0.7	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-8.5	-179.3	-65	-170.6	177	-172.6	0	113.7	E78 Y113	E78-K80 VanDerWaalsContact C-N 3.25Å; E78-K80 PolarHBondContact O-N 2.78Å; K80-Y113 HydrophobicContact CG-CD2 4.17Å; K80-Y113 HydrophobicContact CG-CG 4.21Å
81	S	95.8	Very high	95	Very high	29 Å²	29	34.3 Å²	34.3	20%	0.203	18%	0.182	C	C	.	.	S	Bend	trans	-83	162.3	175.4	-63	0	0	0	0	110.8	E78 L79 P112	E78-S81 WeakPolarHBondContact CB-OG 3.49Å; E78-S81 WeakPolarHBondContact O-CB 3.35Å; E78-S81 PolarHBondContact O-N 2.82Å; E78-S81 PolarHBondContact OE2-OG 3.27Å; L79-S81 VanDerWaalsContact C-N 3.33Å; S81-P112 WeakPolarHBondContact O-CD 3.25Å
82	C	96.4	Very high	94.6	Very high	30 Å²	30	33 Å²	33	20%	0.203	18%	0.176	C	C	.	.			trans	-113	139.2	173.5	-55.6	0	0	0	0	110.1	V51 A52 L109 F110 C111	V51-C82 WeakPolarHBondContact CA-O 3.32Å; A52-C82 PolarHBondContact N-O 2.9Å; A52-C82 VanDerWaalsContact N-O 3.09Å; C82-L109 HydrophobicContact CB-CD1 3.8Å; C82-L109 HydrophobicContact CB-CD2 3.9Å; C82-L109 HydrophobicContact CB-CG 3.84Å; C82-F110 CarbonylContact C-O 3.48Å; C82-F110 WeakPolarHBondContact CA-O 3.44Å; C82-C111 HydrophobicContact CB-CB 4.06Å; C82-C111 WeakPolarHBondContact CB-SG 3.48Å; C82-C111 WeakPolarHBondContact SG-CB 3.29Å; C82-C111 CovalentContact SG-SG 2.03Å; C82-C111 PolarHBondContact SG-SG 3.4Å
83	Y	97.3	Very high	94	Very high	4 Å²	4	39 Å²	39	2%	0.016	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	148.4	-170.5	-63.7	-96.3	0	0	0	112	F49 F50 V51 L76 E78 L109 F110 P112	F49-Y83 HydrophobicContact CD2-CD1 4.22Å; F49-Y83 HydrophobicContact CD2-CE1 4.45Å; F50-Y83 VanDerWaalsContact O-CA 3.27Å; F50-Y83 WeakPolarHBondContact O-CA 3.45Å; V51-Y83 HydrophobicContact CG2-CD1 3.8Å; V51-Y83 HydrophobicContact CG2-CE1 3.39Å; L76-Y83 HydrophobicContact CB-CE2 4.11Å; L76-Y83 HydrophobicContact CD1-CD2 4.49Å; L76-Y83 HydrophobicContact CD2-CD1 3.51Å; L76-Y83 HydrophobicContact CD2-CD2 4.09Å; L76-Y83 HydrophobicContact CD2-CE1 3.67Å; L76-Y83 HydrophobicContact CD2-CE2 4.27Å; L76-Y83 HydrophobicContact CD2-CG 3.71Å; E78-Y83 WeakPolarHBondContact CA-OH 3.37Å; E78-Y83 VanDerWaalsContact CB-OH 3.29Å; E78-Y83 WeakPolarHBondContact CB-OH 3.47Å; E78-Y83 PolarHBondContact N-OH 2.68Å; E78-Y83 WeakPolarHBondContact O-CE2 3.23Å; E78-Y83 PolarHBondContact O-OH 3.12Å; E78-Y83 VanDerWaalsContact O-OH 3.12Å; Y83-L109 CarbonylContact O-C 3.57Å; Y83-L109 WeakPolarHBondContact O-CA 3.12Å; Y83-F110 PolarHBondContact N-O 2.99Å; Y83-F110 PolarHBondContact O-N 3.21Å; Y83-P112 HydrophobicContact CD2-CG 4Å; Y83-P112 HydrophobicContact CE2-CG 3.98Å
84	S	97.3	Very high	93.2	Very high	16 Å²	16	42.5 Å²	42.5	11%	0.112	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	158.8	161.5	-68	0	0	0	0	108.9	F49 F50	F49-S84 WeakPolarHBondContact CA-O 3.24Å; F50-S84 PolarHBondContact N-O 2.88Å; F50-S84 PolarHBondContact O-N 3.36Å
85	A	97	Very high	92.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	138.2	175.9	0	0	0	0	0	111.1	W24 L33 V47 E48 F49 T106 S107	W24-A85 HydrophobicContact CH2-CB 3.99Å; W24-A85 HydrophobicContact CZ2-CB 3.77Å; L33-A85 HydrophobicContact CD2-CB 3.51Å; V47-A85 HydrophobicContact CG1-CB 4.28Å; E48-A85 CarbonylContact O-C 3.57Å; E48-A85 WeakPolarHBondContact O-CA 3.39Å; E48-A85 WeakPolarHBondContact O-CB 3.38Å; F49-A85 HydrophobicContact CB-CB 4.15Å; A85-T106 CarbonylContact O-C 3.54Å; A85-T106 WeakPolarHBondContact O-CA 3.42Å; A85-S107 PolarHBondContact N-OG 3.24Å; A85-S107 PolarHBondContact O-N 2.99Å
86	D	96.1	Very high	91.6	Very high	7 Å²	7	45.2 Å²	45.2	4%	0.037	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	127.1	170.4	-69.8	-30.7	0	0	0	109	V47 E48 R56 L88 H104 T106	V47-D86 WeakPolarHBondContact CA-O 3.42Å; E48-D86 HydrophobicContact CB-CB 4.48Å; E48-D86 PolarHBondContact N-O 3.46Å; E48-D86 PolarHBondContact O-N 3.06Å; R56-D86 IonicContact CZ-OD2 2.8Å; R56-D86 IonicContact NE-OD2 3.74Å; R56-D86 PolarHBondContact NE-OD2 3.38Å; R56-D86 IonicContact NH2-OD2 3.99Å; D86-L88 HydrophobicContact CB-CD1 4.19Å; D86-H104 IonicContact OD1-CD2 3.95Å; D86-T106 VanDerWaalsContact OD1-CB 3.31Å; D86-T106 WeakPolarHBondContact OD1-CB 3.23Å; D86-T106 WeakPolarHBondContact OD1-CG2 3.12Å; D86-T106 PolarHBondContact OD1-OG1 3.08Å
87	I	97.1	Very high	90.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	107.1	172.8	-58.1	77.1	0	0	0	107	A19 V22 L33 W35 Y45 V47 H104 T105	A19-I87 HydrophobicContact CB-CB 3.85Å; A19-I87 HydrophobicContact CB-CG2 3.62Å; V22-I87 HydrophobicContact CB-CD1 4.37Å; V22-I87 HydrophobicContact CG1-CD1 3.51Å; V22-I87 HydrophobicContact CG2-CD1 3.89Å; L33-I87 HydrophobicContact CD2-CD1 3.84Å; L33-I87 HydrophobicContact CD2-CG1 4.18Å; W35-I87 HydrophobicContact CD2-CG1 3.99Å; W35-I87 HydrophobicContact CD2-CG2 4.02Å; W35-I87 HydrophobicContact CE3-CG1 3.92Å; W35-I87 HydrophobicContact CG-CG1 4.4Å; W35-I87 HydrophobicContact CG-CG2 4.21Å; W35-I87 HydrophobicContact CZ2-CG2 4.26Å; W35-I87 HydrophobicContact CZ3-CG1 4.37Å; Y45-I87 HydrophobicContact CD1-CG2 3.6Å; Y45-I87 HydrophobicContact CE1-CG2 4.27Å; Y45-I87 HydrophobicContact CG-CG2 3.99Å; V47-I87 HydrophobicContact CG2-CG1 4.42Å; I87-H104 WeakPolarHBondContact O-CA 3.14Å; I87-T105 WeakPolarHBondContact CD1-O 3.5Å; I87-T105 PolarHBondContact N-O 3.32Å; I87-T105 PolarHBondContact O-N 3.02Å; I87-T105 VanDerWaalsContact O-N 3.15Å
88	L	95.4	Very high	89.8	Confident	20 Å²	20	49.7 Å²	49.7	11%	0.105	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	129.8	-179.1	-58.7	95.4	0	0	0	110.7	Y45 T46 E48 D86 K90 H104	Y45-L88 CarbonylContact C-O 3.59Å; Y45-L88 WeakPolarHBondContact CA-O 3.2Å; T46-L88 PolarHBondContact N-O 2.81Å; T46-L88 WeakPolarHBondContact O-CD1 3.22Å; T46-L88 PolarHBondContact O-N 3.31Å; E48-L88 HydrophobicContact CB-CD1 4.05Å; E48-L88 HydrophobicContact CG-CD1 3.82Å; D86-L88 HydrophobicContact CB-CD1 4.19Å; L88-K90 HydrophobicContact CB-CD 4.47Å; L88-K90 HydrophobicContact CB-CG 4.23Å; L88-H104 HydrophobicContact CG-CB 4.07Å
89	S	95	Very high	88.9	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	110	173.3	-56.7	0	0	0	0	109.9	Y16 P17 Y45 F102 P103	Y16-S89 WeakPolarHBondContact CD2-O 3.46Å; P17-S89 VanDerWaalsContact O-CB 3.27Å; P17-S89 WeakPolarHBondContact O-CB 3.39Å; P17-S89 PolarHBondContact O-OG 3.28Å; Y45-S89 WeakPolarHBondContact CE1-OG 3.39Å; S89-F102 WeakPolarHBondContact O-CB 3.15Å; S89-F102 WeakPolarHBondContact O-CD1 3.47Å; S89-P103 PolarHBondContact N-O 2.88Å
90	K	92.3	Very high	87.8	Confident	25 Å²	25	56.6 Å²	56.6	11%	0.109	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	156.9	-172.6	-68.2	-169.4	177.2	173.7	0	111.1	Y43 S44 L88 F102	Y43-K90 CarbonylContact C-O 3.59Å; Y43-K90 WeakPolarHBondContact CA-O 3.24Å; S44-K90 PolarHBondContact N-O 2.81Å; S44-K90 PolarHBondContact O-N 2.77Å; S44-K90 VanDerWaalsContact O-O 3.09Å; S44-K90 PolarHBondContact OG-O 2.99Å; S44-K90 VanDerWaalsContact OG-O 3.08Å; L88-K90 HydrophobicContact CB-CD 4.47Å; L88-K90 HydrophobicContact CB-CG 4.23Å; K90-F102 HydrophobicContact CD-CD2 4.1Å; K90-F102 HydrophobicContact CD-CE2 4.35Å; K90-F102 HydrophobicContact CD-CG 4.46Å; K90-F102 HydrophobicContact CG-CB 4.18Å; K90-F102 HydrophobicContact CG-CD1 4.06Å; K90-F102 HydrophobicContact CG-CD2 3.87Å; K90-F102 HydrophobicContact CG-CE1 4.49Å; K90-F102 HydrophobicContact CG-CE2 4.29Å; K90-F102 HydrophobicContact CG-CG 3.74Å
91	P	90.8	Very high	87.3	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.006	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-56.4	153.4	169.7	24.4	-34.9	0	0	0	111.4	Y16 S44 R64 T95 F102	Y16-P91 WeakPolarHBondContact OH-CB 3.49Å; S44-P91 PolarHBondContact OG-O 2.86Å; R64-P91 WeakPolarHBondContact CD-O 3.5Å; P91-T95 HydrophobicContact CB-CG2 3.92Å; P91-F102 HydrophobicContact CG-CE1 4.35Å
92	P	88.1	Confident	87	Confident	28 Å²	28	56.3 Å²	56.3	18%	0.182	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-58.3	166.7	179.7	-21.7	31.5	0	0	0	113.7	A41 D42 R64 G94 T95	A41-P92 VanDerWaalsContact O-CG 3.22Å; A41-P92 WeakPolarHBondContact O-CG 2.82Å; D42-P92 WeakPolarHBondContact O-CD 3.39Å; R64-P92 PolarHBondContact NH1-O 2.84Å; P92-G94 PolarHBondContact O-N 2.85Å; P92-T95 PolarHBondContact O-N 2.85Å
93	L	83.7	Confident	86.9	Confident	128 Å²	128	56.2 Å²	56.2	67%	0.67	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	134.4	171.6	-79.9	150.6	0	0	0	110.8	R64 T95	R64-L93 HydrophobicContact CB-CD1 4.17Å; R64-L93 HydrophobicContact CB-CD2 4.21Å; R64-L93 HydrophobicContact CB-CG 3.67Å; L93-T95 VanDerWaalsContact C-N 3.33Å
94	G	79.8	Confident	86.8	Confident	81 Å²	81	59 Å²	59	84%	0.835	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.6	-12.8	-179.2	0	0	0	0	0	115.1	P92	P92-G94 PolarHBondContact O-N 2.85Å
95	T	80.5	Confident	86.8	Confident	69 Å²	69	60 Å²	60	42%	0.423	34%	0.344	S	S	.	.			trans	-94.8	130.1	174.5	-54.4	0	0	0	0	110.5	R64 P91 P92 L93	R64-T95 PolarHBondContact NH1-O 3.47Å; P91-T95 HydrophobicContact CB-CG2 3.92Å; P92-T95 PolarHBondContact O-N 2.85Å; L93-T95 VanDerWaalsContact C-N 3.33Å
96	T	72.1	Confident	86.8	Confident	129 Å²	129	63.2 Å²	63.2	79%	0.791	36%	0.364	S	S	*	.			trans	-88.5	137.6	171	51	0	0	0	0	109.7
97	S	73.8	Confident	86.9	Confident	38 Å²	38	63.3 Å²	63.3	27%	0.266	37%	0.365	S	S	.	.			trans	-128.8	141.1	168	158.2	0	0	0	0	107.2	D99	S97-D99 VanDerWaalsContact OG-CB 3.25Å; S97-D99 WeakPolarHBondContact OG-CB 3.1Å; S97-D99 PolarHBondContact OG-N 2.94Å; S97-D99 PolarHBondContact OG-OD2 2.93Å
98	D	73.2	Confident	86.9	Confident	162 Å²	162	67 Å²	67	87%	0.866	39%	0.389	S	S	*	.			trans	-85.8	3.4	175.1	-61	-33	0	0	0	111.7	N100	D98-N100 PolarHBondContact O-N 2.92Å
99	D	75.7	Confident	86.9	Confident	86 Å²	86	70.2 Å²	70.2	46%	0.46	41%	0.406	S	S	.	.			trans	-70.2	122.5	179.2	-62.1	-44	0	0	0	110.7	S97 E101 F102	S97-D99 VanDerWaalsContact OG-CB 3.25Å; S97-D99 WeakPolarHBondContact OG-CB 3.1Å; S97-D99 PolarHBondContact OG-N 2.94Å; S97-D99 PolarHBondContact OG-OD2 2.93Å; D99-E101 VanDerWaalsContact C-N 3.34Å; D99-F102 HydrophobicContact CB-CE1 3.9Å; D99-F102 HydrophobicContact CB-CZ 3.94Å; D99-F102 WeakPolarHBondContact O-CE2 3.47Å
100	N	70.9	Confident	87	Confident	174 Å²	174	70.6 Å²	70.6	93%	0.93	41%	0.408	S	S	*	.	S	Bend	trans	-79	-20.2	177	-119.7	53.6	0	0	0	112.6	D98	D98-N100 PolarHBondContact O-N 2.92Å
101	E	84.6	Confident	87.3	Confident	155 Å²	155	70 Å²	70	72%	0.724	41%	0.406	S	S	*	.			trans	-136.3	130.2	-178.3	-170.5	174.5	-179.1	0	0	110.8	D99	D99-E101 VanDerWaalsContact C-N 3.34Å
102	F	90.9	Very high	87.5	Confident	29 Å²	29	70 Å²	70	13%	0.127	41%	0.406	C	S	.	.			trans	-109.9	144.8	179.4	-69.4	-76.9	0	0	0	110.6	Y16 S89 K90 P91 D99 H104	Y16-F102 AromaticContact CD2-CD1 3.98Å; Y16-F102 HydrophobicContact CD2-CD1 3.98Å; Y16-F102 HydrophobicContact CD2-CE1 4.4Å; Y16-F102 AromaticContact CE2-CD1 3.92Å; Y16-F102 HydrophobicContact CE2-CD1 3.92Å; Y16-F102 AromaticContact CE2-CE1 3.86Å; Y16-F102 HydrophobicContact CE2-CE1 3.86Å; S89-F102 WeakPolarHBondContact O-CB 3.15Å; S89-F102 WeakPolarHBondContact O-CD1 3.47Å; K90-F102 HydrophobicContact CD-CD2 4.1Å; K90-F102 HydrophobicContact CD-CE2 4.35Å; K90-F102 HydrophobicContact CD-CG 4.46Å; K90-F102 HydrophobicContact CG-CB 4.18Å; K90-F102 HydrophobicContact CG-CD1 4.06Å; K90-F102 HydrophobicContact CG-CD2 3.87Å; K90-F102 HydrophobicContact CG-CE1 4.49Å; K90-F102 HydrophobicContact CG-CE2 4.29Å; K90-F102 HydrophobicContact CG-CG 3.74Å; P91-F102 HydrophobicContact CG-CE1 4.35Å; D99-F102 HydrophobicContact CB-CE1 3.9Å; D99-F102 HydrophobicContact CB-CZ 3.94Å; D99-F102 WeakPolarHBondContact O-CE2 3.47Å; F102-H104 PolarHBondContact O-N 3.43Å
103	P	93.9	Very high	88	Confident	29 Å²	29	69.9 Å²	69.9	19%	0.188	40%	0.403	C	S	.	.			trans	-53.7	130.7	171.3	-25.2	35.3	0	0	0	110.6	Y16 R18 S89	Y16-P103 WeakPolarHBondContact O-CG 3.19Å; R18-P103 HydrophobicContact CG-CB 3.78Å; S89-P103 PolarHBondContact N-O 2.88Å
104	H	94.9	Very high	88.6	Confident	63 Å²	63	71.3 Å²	71.3	29%	0.292	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	159.8	179.2	68.8	-80.6	0	0	0	111.8	D86 I87 L88 F102	D86-H104 IonicContact OD1-CD2 3.95Å; I87-H104 WeakPolarHBondContact O-CA 3.14Å; L88-H104 HydrophobicContact CG-CB 4.07Å; F102-H104 PolarHBondContact O-N 3.43Å
105	T	97.3	Very high	89.4	Confident	36 Å²	36	70.3 Å²	70.3	22%	0.221	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	129.6	170.7	-60.1	0	0	0	0	108.8	A19 V22 I87	A19-T105 VanDerWaalsContact O-CB 3.28Å; A19-T105 WeakPolarHBondContact O-CB 3.29Å; A19-T105 WeakPolarHBondContact O-CG2 3.49Å; A19-T105 PolarHBondContact O-OG1 3.16Å; V22-T105 HydrophobicContact CG2-CG2 3.71Å; I87-T105 WeakPolarHBondContact CD1-O 3.5Å; I87-T105 PolarHBondContact N-O 3.32Å; I87-T105 PolarHBondContact O-N 3.02Å; I87-T105 VanDerWaalsContact O-N 3.15Å
106	T	97.1	Very high	90.2	Very high	68 Å²	68	67 Å²	67	42%	0.417	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	136.8	175.8	-50.2	0	0	0	0	110.3	A85 D86	A85-T106 CarbonylContact O-C 3.54Å; A85-T106 WeakPolarHBondContact O-CA 3.42Å; D86-T106 VanDerWaalsContact OD1-CB 3.31Å; D86-T106 WeakPolarHBondContact OD1-CB 3.23Å; D86-T106 WeakPolarHBondContact OD1-CG2 3.12Å; D86-T106 PolarHBondContact OD1-OG1 3.08Å
107	S	97.7	Very high	91.5	Very high	8 Å²	8	65.2 Å²	65.2	6%	0.056	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-69.7	159.8	174.7	75.1	0	0	0	0	111.5	W24 A85	W24-S107 PolarHBondContact NE1-OG 3.27Å; A85-S107 PolarHBondContact N-OG 3.24Å; A85-S107 PolarHBondContact O-N 2.99Å
108	P	96.8	Very high	92.6	Very high	78 Å²	78	63.5 Å²	63.5	51%	0.506	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-53.1	157.9	157.3	-21.9	33.7	0	0	0	111.4	V22 W24	V22-P108 WeakPolarHBondContact O-CD 3.34Å; W24-P108 PolarHBondContact NE1-O 3.36Å
109	L	96.4	Very high	93.8	Very high	88 Å²	88	56 Å²	56	46%	0.461	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-66.7	141.9	170.7	-169	74.2	0	0	0	109.4	A52 C82 Y83	A52-L109 HydrophobicContact CB-CD1 4.46Å; C82-L109 HydrophobicContact CB-CD1 3.8Å; C82-L109 HydrophobicContact CB-CD2 3.9Å; C82-L109 HydrophobicContact CB-CG 3.84Å; Y83-L109 CarbonylContact O-C 3.57Å; Y83-L109 WeakPolarHBondContact O-CA 3.12Å
110	F	97.3	Very high	94.8	Very high	8 Å²	8	57.7 Å²	57.7	4%	0.035	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-135.6	122.2	175.5	173.6	-110.4	0	0	0	110.8	W24 T31 L76 C82 Y83 P112 E115	W24-F110 HydrophobicContact CB-CB 4.42Å; W24-F110 HydrophobicContact CB-CD2 4.13Å; W24-F110 HydrophobicContact CB-CG 4.24Å; W24-F110 HydrophobicContact CD2-CB 3.86Å; W24-F110 HydrophobicContact CD2-CD1 4.24Å; W24-F110 HydrophobicContact CD2-CG 4.07Å; W24-F110 HydrophobicContact CE3-CD1 4.23Å; W24-F110 HydrophobicContact CE3-CG 4.49Å; W24-F110 HydrophobicContact CG-CB 3.73Å; W24-F110 HydrophobicContact CG-CD2 4.32Å; W24-F110 AromaticContact CG-CG 3.96Å; W24-F110 HydrophobicContact CG-CG 3.96Å; T31-F110 HydrophobicContact CG2-CD1 4.07Å; T31-F110 HydrophobicContact CG2-CE1 3.51Å; T31-F110 HydrophobicContact CG2-CZ 4.11Å; L76-F110 HydrophobicContact CD1-CD1 4.22Å; L76-F110 HydrophobicContact CD1-CE1 4.18Å; C82-F110 CarbonylContact C-O 3.48Å; C82-F110 WeakPolarHBondContact CA-O 3.44Å; Y83-F110 PolarHBondContact N-O 2.99Å; Y83-F110 PolarHBondContact O-N 3.21Å; F110-P112 HydrophobicContact CD1-CG 4.01Å; F110-P112 HydrophobicContact CE1-CB 3.92Å; F110-P112 HydrophobicContact CE1-CG 3.62Å; F110-P112 HydrophobicContact CZ-CB 4.27Å; F110-P112 HydrophobicContact CZ-CG 4.41Å; F110-P112 WeakPolarHBondContact O-CD 3.27Å; F110-E115 HydrophobicContact CD2-CB 3.95Å; F110-E115 HydrophobicContact CE2-CB 3.68Å
111	C	96.9	Very high	96	Very high	11 Å²	11	49.5 Å²	49.5	7%	0.074	24%	0.24	C	C	.	.			trans	-106.3	98.4	177.4	-55	0	0	0	0	110	C82 Y113 R114 E115	C82-C111 HydrophobicContact CB-CB 4.06Å; C82-C111 WeakPolarHBondContact CB-SG 3.48Å; C82-C111 WeakPolarHBondContact SG-CB 3.29Å; C82-C111 CovalentContact SG-SG 2.03Å; C82-C111 PolarHBondContact SG-SG 3.4Å; C111-Y113 VanDerWaalsContact C-N 3.35Å; C111-Y113 PolarHBondContact O-N 3.26Å; C111-R114 HydrophobicContact CB-CB 4.16Å; C111-R114 HydrophobicContact CB-CG 4.46Å; C111-R114 PolarHBondContact O-N 3.32Å; C111-E115 WeakPolarHBondContact CB-OE1 3.29Å; C111-E115 PolarHBondContact N-OE1 2.89Å; C111-E115 WeakPolarHBondContact O-CB 3.36Å; C111-E115 PolarHBondContact O-N 3.47Å
112	P	97	Very high	96.6	Very high	1 Å²	1	46 Å²	46	1%	0.006	23%	0.229	C	C	.	.	H	α-helix	trans	-54	-45.8	-171.2	-23.9	31.7	0	0	0	113.6	F29 L76 S81 Y83 F110 R114 T116	F29-P112 HydrophobicContact CD1-CB 4.02Å; F29-P112 HydrophobicContact CE1-CB 4.08Å; L76-P112 HydrophobicContact CD1-CG 4.33Å; S81-P112 WeakPolarHBondContact O-CD 3.25Å; Y83-P112 HydrophobicContact CD2-CG 4Å; Y83-P112 HydrophobicContact CE2-CG 3.98Å; F110-P112 HydrophobicContact CD1-CG 4.01Å; F110-P112 HydrophobicContact CE1-CB 3.92Å; F110-P112 HydrophobicContact CE1-CG 3.62Å; F110-P112 HydrophobicContact CZ-CB 4.27Å; F110-P112 HydrophobicContact CZ-CG 4.41Å; F110-P112 WeakPolarHBondContact O-CD 3.27Å; P112-R114 PolarHBondContact O-N 2.9Å; P112-T116 WeakPolarHBondContact O-CB 3.45Å; P112-T116 WeakPolarHBondContact O-CG2 3.49Å; P112-T116 PolarHBondContact O-N 2.94Å; P112-T116 VanDerWaalsContact O-N 3.08Å
113	Y	96.8	Very high	96.9	Very high	26 Å²	26	44.7 Å²	44.7	10%	0.102	22%	0.224	C	C	.	.	H	α-helix	trans	-60.8	-28.8	180	-164.8	-98.7	0	0	0	113.8	L79 K80 C111 I157 F158 E161 R208	L79-Y113 WeakPolarHBondContact O-CB 3.33Å; L79-Y113 PolarHBondContact O-N 2.92Å; K80-Y113 HydrophobicContact CG-CD2 4.17Å; K80-Y113 HydrophobicContact CG-CG 4.21Å; C111-Y113 VanDerWaalsContact C-N 3.35Å; C111-Y113 PolarHBondContact O-N 3.26Å; Y113-I157 HydrophobicContact CD2-CG2 4.06Å; Y113-I157 HydrophobicContact CE2-CG2 3.87Å; Y113-F158 HydrophobicContact CD1-CE1 4.17Å; Y113-F158 HydrophobicContact CD2-CD1 4.26Å; Y113-F158 AromaticContact CD2-CE1 3.74Å; Y113-F158 HydrophobicContact CD2-CE1 3.74Å; Y113-F158 HydrophobicContact CD2-CZ 4.47Å; Y113-F158 HydrophobicContact CE1-CD1 4.1Å; Y113-F158 HydrophobicContact CE1-CE1 4.04Å; Y113-F158 AromaticContact CE2-CD1 3.63Å; Y113-F158 HydrophobicContact CE2-CD1 3.63Å; Y113-F158 AromaticContact CE2-CE1 3.59Å; Y113-F158 HydrophobicContact CE2-CE1 3.59Å; Y113-F158 HydrophobicContact CG-CE1 4.04Å; Y113-F158 AromaticContact CZ-CD1 3.54Å; Y113-F158 AromaticContact CZ-CE1 3.76Å; Y113-F158 WeakPolarHBondContact O-CE1 3.29Å; Y113-E161 PolarHBondContact OH-OE1 2.98Å; Y113-R208 VanDerWaalsContact O-CZ 3.26Å; Y113-R208 PolarHBondContact O-NE 3.11Å; Y113-R208 PolarHBondContact O-NH2 2.85Å
114	R	96.6	Very high	97	Very high	159 Å²	159	48 Å²	48	60%	0.6	24%	0.239	S	C	*	.	H	α-helix	trans	-96.1	-39.4	-177.6	-65.6	-177.9	177.6	-179.9	-0.5	112.4	C111 P112 R208	C111-R114 HydrophobicContact CB-CB 4.16Å; C111-R114 HydrophobicContact CB-CG 4.46Å; C111-R114 PolarHBondContact O-N 3.32Å; P112-R114 PolarHBondContact O-N 2.9Å; R114-R208 WeakPolarHBondContact O-CD 2.99Å; R114-R208 PolarHBondContact O-NE 3.05Å
115	E	97.1	Very high	97	Very high	59 Å²	59	47.1 Å²	47.1	28%	0.276	24%	0.237	S	C	.	.	H	α-helix	trans	-104.7	-20	-164.3	-68.2	173.4	-115	0	0	113.6	F110 C111 E117 N211	F110-E115 HydrophobicContact CD2-CB 3.95Å; F110-E115 HydrophobicContact CE2-CB 3.68Å; C111-E115 WeakPolarHBondContact CB-OE1 3.29Å; C111-E115 PolarHBondContact N-OE1 2.89Å; C111-E115 WeakPolarHBondContact O-CB 3.36Å; C111-E115 PolarHBondContact O-N 3.47Å; E115-E117 PolarHBondContact O-N 3.48Å; E115-N211 PolarHBondContact O-ND2 2.92Å
116	T	98.1	Very high	96.9	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-60.2	130.1	178	-166.8	0	0	0	0	110.4	S26 N28 F29 P112 I118 R208	S26-T116 PolarHBondContact O-OG1 2.79Å; S26-T116 WeakPolarHBondContact OG-CB 3.21Å; S26-T116 PolarHBondContact OG-OG1 3.32Å; N28-T116 PolarHBondContact N-OG1 3.06Å; F29-T116 HydrophobicContact CD1-CG2 4.05Å; F29-T116 HydrophobicContact CD2-CG2 4.02Å; F29-T116 HydrophobicContact CE1-CG2 3.87Å; F29-T116 HydrophobicContact CE2-CG2 3.82Å; F29-T116 HydrophobicContact CG-CG2 4.14Å; F29-T116 HydrophobicContact CZ-CG2 3.75Å; F29-T116 PolarHBondContact N-OG1 3.43Å; F29-T116 VanDerWaalsContact N-OG1 3.1Å; P112-T116 WeakPolarHBondContact O-CB 3.45Å; P112-T116 WeakPolarHBondContact O-CG2 3.49Å; P112-T116 PolarHBondContact O-N 2.94Å; P112-T116 VanDerWaalsContact O-N 3.08Å; T116-I118 HydrophobicContact CG2-CD1 4.36Å; T116-R208 PolarHBondContact O-NH1 2.64Å; T116-R208 PolarHBondContact O-NH2 3.39Å
117	E	98.1	Very high	96.6	Very high	91 Å²	91	48.4 Å²	48.4	43%	0.425	25%	0.245	S	C	.	.	B	Isolated β-bridge	trans	-65.8	144.3	172.2	-65.7	-174.6	-175	0	0	109.6	S26 T27 N28 E115	S26-E117 PolarHBondContact O-N 3.23Å; T27-E117 CarbonylContact C-O 3.57Å; T27-E117 WeakPolarHBondContact CA-O 3.43Å; T27-E117 HydrophobicContact CG2-CB 4.41Å; N28-E117 PolarHBondContact N-O 3.02Å; E115-E117 PolarHBondContact O-N 3.48Å
118	I	98.3	Very high	96.4	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.01	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-95.8	120.3	173.3	-53.4	-56.3	0	0	0	108.3	T116 I154 F158 A203 I205 G214 Q215	T116-I118 HydrophobicContact CG2-CD1 4.36Å; I118-I154 HydrophobicContact CD1-CG2 4.23Å; I118-I154 HydrophobicContact CG2-CD1 3.64Å; I118-I154 HydrophobicContact CG2-CG2 4.21Å; I118-F158 HydrophobicContact CD1-CD2 4.47Å; I118-F158 HydrophobicContact CD1-CE2 3.6Å; I118-F158 HydrophobicContact CD1-CZ 4.16Å; I118-A203 HydrophobicContact CB-CB 4.21Å; I118-A203 HydrophobicContact CG2-CB 3.54Å; I118-I205 HydrophobicContact CD1-CD1 4.04Å; I118-I205 HydrophobicContact CG1-CD1 3.84Å; I118-G214 CarbonylContact O-C 3.43Å; I118-G214 VanDerWaalsContact O-CA 3.22Å; I118-G214 WeakPolarHBondContact O-CA 3.35Å; I118-Q215 PolarHBondContact O-N 3.23Å
119	G	97.4	Very high	96	Very high	5 Å²	5	56.7 Å²	56.7	5%	0.052	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-64.2	165.6	178.5	0	0	0	0	0	112.5	N28 P121	N28-G119 PolarHBondContact OD1-N 3.27Å; G119-P121 WeakPolarHBondContact O-CD 3.45Å
120	R	96.1	Very high	95.6	Very high	122 Å²	122	55.6 Å²	55.6	46%	0.46	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-57.4	120.7	-178	-179.3	174.9	-63	-151.9	-2.7	111.8	Q215 L216	R120-Q215 HydrophobicContact CB-CB 4.19Å; R120-L216 WeakPolarHBondContact CD-O 3.44Å; R120-L216 VanDerWaalsContact CG-O 3.28Å; R120-L216 WeakPolarHBondContact CG-O 3.29Å; R120-L216 PolarHBondContact NE-O 3.12Å
121	P	96.5	Very high	95.2	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.006	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-72	147.5	169.4	30.4	-31.5	0	0	0	110.2	G119 V138 P141 Y164 I201 Q215 S217	G119-P121 WeakPolarHBondContact O-CD 3.45Å; P121-V138 HydrophobicContact CB-CG1 4.03Å; P121-P141 HydrophobicContact CB-CG 4.3Å; P121-Y164 HydrophobicContact CB-CE1 4.21Å; P121-Y164 HydrophobicContact CG-CE1 4.49Å; P121-I201 HydrophobicContact CG-CG2 4.4Å; P121-Q215 WeakPolarHBondContact CD-O 3.22Å; P121-S217 VanDerWaalsContact O-CB 3.24Å; P121-S217 WeakPolarHBondContact O-CB 3.36Å
122	T	96.9	Very high	95	Very high	81 Å²	81	65 Å²	65	50%	0.497	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	154.8	168	63.4	0	0	0	0	108.5	T139	T122-T139 PolarHBondContact O-N 3.42Å; T122-T139 WeakPolarHBondContact OG1-CB 3.44Å
123	F	97.7	Very high	94.9	Very high	3 Å²	3	65.6 Å²	65.6	1%	0.013	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	155.9	177	70.8	-78.9	0	0	0	110.9	L136 H137 V138 F199 I201 S217 E218 K220	F123-L136 HydrophobicContact CD2-CB 4.35Å; F123-L136 HydrophobicContact CD2-CD2 4.1Å; F123-L136 HydrophobicContact CE2-CD2 3.99Å; F123-H137 CarbonylContact C-O 3.56Å; F123-H137 WeakPolarHBondContact CA-O 3.34Å; F123-H137 WeakPolarHBondContact CB-O 3.18Å; F123-V138 HydrophobicContact CB-CB 4.48Å; F123-V138 HydrophobicContact CB-CG2 4.23Å; F123-F199 HydrophobicContact CE2-CB 3.98Å; F123-F199 HydrophobicContact CZ-CB 3.88Å; F123-I201 HydrophobicContact CB-CD1 3.76Å; F123-I201 HydrophobicContact CD1-CB 4.47Å; F123-I201 HydrophobicContact CD1-CD1 3.66Å; F123-I201 HydrophobicContact CD1-CG1 4Å; F123-I201 HydrophobicContact CD2-CD1 3.71Å; F123-I201 HydrophobicContact CE1-CD1 4.14Å; F123-I201 HydrophobicContact CE1-CG1 4.1Å; F123-I201 HydrophobicContact CE2-CD1 4.18Å; F123-I201 HydrophobicContact CG-CD1 3.42Å; F123-I201 VanDerWaalsContact CG-CD1 3.42Å; F123-I201 HydrophobicContact CG-CG1 4.26Å; F123-I201 HydrophobicContact CZ-CD1 4.37Å; F123-I201 HydrophobicContact CZ-CG1 4.41Å; F123-S217 WeakPolarHBondContact CE1-OG 3.14Å; F123-E218 WeakPolarHBondContact CE1-O 3.24Å; F123-K220 HydrophobicContact CE1-CB 4.35Å; F123-K220 HydrophobicContact CE1-CD 4.38Å; F123-K220 HydrophobicContact CE1-CG 4.15Å; F123-K220 HydrophobicContact CE2-CB 3.87Å; F123-K220 HydrophobicContact CE2-CD 4.29Å; F123-K220 HydrophobicContact CE2-CG 4.34Å; F123-K220 HydrophobicContact CZ-CB 3.57Å; F123-K220 HydrophobicContact CZ-CD 4.2Å; F123-K220 HydrophobicContact CZ-CG 3.87Å; F123-K220 WeakPolarHBondContact O-CD 3.43Å; F123-K220 WeakPolarHBondContact O-CE 3.24Å; F123-K220 PolarHBondContact O-NZ 2.72Å
124	N	96.4	Very high	94.8	Very high	97 Å²	97	64.6 Å²	64.6	52%	0.519	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	159.9	166.8	-68.9	-35.1	0	0	0	109.9	L136 H137 K220	N124-L136 CarbonylContact O-C 3.53Å; N124-L136 WeakPolarHBondContact O-CA 3.16Å; N124-H137 PolarHBondContact N-O 3.33Å; N124-H137 PolarHBondContact O-N 2.96Å; N124-K220 PolarHBondContact OD1-NZ 3.29Å; N124-K220 VanDerWaalsContact OD1-NZ 3.16Å
125	L	94.8	Very high	94.9	Very high	46 Å²	46	57.3 Å²	57.3	24%	0.241	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	144.2	-179.9	63.3	91.2	0	0	0	110.3	V127 V134 T135 L136 K220 C221	L125-V127 HydrophobicContact CD1-CG2 4.17Å; L125-V134 HydrophobicContact CB-CG1 4.25Å; L125-T135 CarbonylContact C-O 3.49Å; L125-T135 WeakPolarHBondContact CA-O 3.43Å; L125-L136 HydrophobicContact CB-CD2 4.06Å; L125-K220 HydrophobicContact CD2-CB 3.83Å; L125-C221 VanDerWaalsContact CD2-C 3.49Å; L125-C221 WeakPolarHBondContact CD2-O 3.28Å
126	T	94.4	Very high	94.9	Very high	69 Å²	69	54.5 Å²	54.5	42%	0.423	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	114.9	175.3	-59	0	0	0	0	108	V134 T135	T126-V134 CarbonylContact O-C 3.59Å; T126-V134 WeakPolarHBondContact O-CA 3.48Å; T126-T135 PolarHBondContact N-O 3.09Å; T126-T135 PolarHBondContact O-N 2.88Å
127	V	92.3	Very high	94.9	Very high	62 Å²	62	58 Å²	58	38%	0.376	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	129.2	174.5	-172	0	0	0	0	107.9	L125 V134	L125-V127 HydrophobicContact CD1-CG2 4.17Å; V127-V134 HydrophobicContact CG1-CG2 4.39Å; V127-V134 HydrophobicContact CG2-CG2 4.18Å
128	H	92	Very high	94.9	Very high	68 Å²	68	54.2 Å²	54.2	32%	0.315	27%	0.269	S	S	.	.			trans	-78.6	160.4	178.3	-73.8	-121.5	0	0	0	111.5	D130 K131 T133 T135	H128-D130 WeakPolarHBondContact CB-OD1 3.49Å; H128-D130 PolarHBondContact O-N 2.89Å; H128-K131 PolarHBondContact O-N 3.18Å; H128-T133 WeakPolarHBondContact CB-O 3.19Å; H128-T133 PolarHBondContact CD2-O 3.42Å; H128-T133 PolarHBondContact N-O 3.23Å; H128-T135 PolarHBondContact NE2-OG1 2.79Å
129	E	89.1	Confident	94.9	Very high	192 Å²	192	57.9 Å²	57.9	90%	0.897	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-27.9	179.5	-64.2	-174.1	167.8	0	0	113.4	K131	E129-K131 PolarHBondContact O-N 2.8Å
130	D	88.3	Confident	94.9	Very high	64 Å²	64	59.2 Å²	59.2	34%	0.342	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-19	176.7	70.1	2.1	0	0	0	112.9	H128 K132 T133 R193	H128-D130 WeakPolarHBondContact CB-OD1 3.49Å; H128-D130 PolarHBondContact O-N 2.89Å; D130-K132 PolarHBondContact O-N 2.61Å; D130-K132 PolarHBondContact OD1-N 2.68Å; D130-T133 PolarHBondContact OD1-N 3.17Å; D130-T133 WeakPolarHBondContact OD2-CB 3.42Å; D130-T133 PolarHBondContact OD2-OG1 2.84Å; D130-R193 PolarHBondContact O-NE 3.1Å
131	K	87.7	Confident	94.9	Very high	116 Å²	116	54.1 Å²	54.1	50%	0.504	28%	0.28	S	S	.	.	S	Bend	trans	54.9	24.8	-172.1	-57.7	-174.4	178.2	-167.2	0	113.4	H128 E129 R193	H128-K131 PolarHBondContact O-N 3.18Å; E129-K131 PolarHBondContact O-N 2.8Å; K131-R193 HydrophobicContact CB-CG 3.99Å
132	K	92.9	Very high	95	Very high	101 Å²	101	58.9 Å²	58.9	44%	0.439	31%	0.306	S	S	.	.	S	Bend	trans	-125.4	-7.7	178.1	-65	-171.1	175.6	-175.3	0	112.4	D130 T189 N190 L191 R193	D130-K132 PolarHBondContact O-N 2.61Å; D130-K132 PolarHBondContact OD1-N 2.68Å; K132-T189 CarbonylContact O-C 3.5Å; K132-N190 PolarHBondContact O-N 3.12Å; K132-L191 WeakPolarHBondContact CG-O 3.36Å; K132-L191 VanDerWaalsContact O-CB 3.29Å; K132-L191 WeakPolarHBondContact O-CB 3.34Å; K132-L191 PolarHBondContact O-N 2.79Å; K132-R193 HydrophobicContact CG-CB 4.29Å
133	T	94.8	Very high	95	Very high	14 Å²	14	55.2 Å²	55.2	9%	0.086	28%	0.283	C	S	.	.			trans	-125.4	133.4	-179.6	-54	0	0	0	0	110.3	H128 D130 I188 T189	H128-T133 WeakPolarHBondContact CB-O 3.19Å; H128-T133 PolarHBondContact CD2-O 3.42Å; H128-T133 PolarHBondContact N-O 3.23Å; D130-T133 PolarHBondContact OD1-N 3.17Å; D130-T133 WeakPolarHBondContact OD2-CB 3.42Å; D130-T133 PolarHBondContact OD2-OG1 2.84Å; T133-I188 WeakPolarHBondContact CA-O 3.3Å; T133-T189 HydrophobicContact CG2-CG2 3.88Å
134	V	96.1	Very high	95	Very high	4 Å²	4	56 Å²	56	2%	0.024	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	126.2	172.4	173.3	0	0	0	0	108.7	L125 T126 V127 L136 I188 L191 F199	L125-V134 HydrophobicContact CB-CG1 4.25Å; T126-V134 CarbonylContact O-C 3.59Å; T126-V134 WeakPolarHBondContact O-CA 3.48Å; V127-V134 HydrophobicContact CG1-CG2 4.39Å; V127-V134 HydrophobicContact CG2-CG2 4.18Å; V134-L136 HydrophobicContact CG1-CD2 3.85Å; V134-I188 PolarHBondContact N-O 2.88Å; V134-I188 PolarHBondContact O-N 3.22Å; V134-L191 HydrophobicContact CB-CD1 3.92Å; V134-L191 HydrophobicContact CG2-CD1 3.57Å; V134-F199 HydrophobicContact CB-CZ 4.04Å; V134-F199 HydrophobicContact CG1-CE2 4.02Å; V134-F199 HydrophobicContact CG1-CZ 3.85Å; V134-F199 HydrophobicContact CG2-CZ 4.27Å
135	T	97.6	Very high	95	Very high	7 Å²	7	52.5 Å²	52.5	4%	0.043	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	129.3	170.2	-57.8	0	0	0	0	109.7	L125 T126 H128 V185 I186 E187	L125-T135 CarbonylContact C-O 3.49Å; L125-T135 WeakPolarHBondContact CA-O 3.43Å; T126-T135 PolarHBondContact N-O 3.09Å; T126-T135 PolarHBondContact O-N 2.88Å; H128-T135 PolarHBondContact NE2-OG1 2.79Å; T135-V185 HydrophobicContact CG2-CG1 3.61Å; T135-I186 CarbonylContact C-O 3.55Å; T135-I186 VanDerWaalsContact CA-O 3.28Å; T135-I186 WeakPolarHBondContact CA-O 3.39Å; T135-E187 HydrophobicContact CG2-CG 4.35Å
136	L	98.1	Very high	95	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	123	172	-46.9	173.4	0	0	0	108.1	F123 N124 L125 V134 V166 V185 I186 I188 F199 I201	F123-L136 HydrophobicContact CD2-CB 4.35Å; F123-L136 HydrophobicContact CD2-CD2 4.1Å; F123-L136 HydrophobicContact CE2-CD2 3.99Å; N124-L136 CarbonylContact O-C 3.53Å; N124-L136 WeakPolarHBondContact O-CA 3.16Å; L125-L136 HydrophobicContact CB-CD2 4.06Å; V134-L136 HydrophobicContact CG1-CD2 3.85Å; L136-V166 HydrophobicContact CD1-CG1 3.7Å; L136-V166 HydrophobicContact CD1-CG2 4.27Å; L136-V185 WeakPolarHBondContact O-CA 3.4Å; L136-I186 HydrophobicContact CB-CB 4.22Å; L136-I186 HydrophobicContact CD1-CG2 4.49Å; L136-I186 PolarHBondContact N-O 2.84Å; L136-I186 PolarHBondContact O-N 2.8Å; L136-I188 HydrophobicContact CD1-CG1 4.24Å; L136-F199 HydrophobicContact CD1-CB 4.48Å; L136-F199 HydrophobicContact CD1-CD1 3.8Å; L136-F199 HydrophobicContact CD1-CE1 4.4Å; L136-F199 HydrophobicContact CD1-CG 4.3Å; L136-F199 HydrophobicContact CD2-CB 4.39Å; L136-F199 HydrophobicContact CD2-CD1 3.98Å; L136-F199 HydrophobicContact CD2-CD2 4.16Å; L136-F199 HydrophobicContact CD2-CE1 4.31Å; L136-F199 HydrophobicContact CD2-CE2 4.48Å; L136-F199 HydrophobicContact CD2-CG 3.91Å; L136-F199 HydrophobicContact CG-CD1 4.45Å; L136-I201 HydrophobicContact CB-CD1 4.18Å; L136-I201 HydrophobicContact CD1-CD1 3.9Å; L136-I201 HydrophobicContact CD1-CG1 4.48Å
137	H	98.1	Very high	94.9	Very high	74 Å²	74	59.1 Å²	59.1	34%	0.343	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	94.9	174.6	-62.8	-85.7	0	0	0	108.2	F123 N124	F123-H137 CarbonylContact C-O 3.56Å; F123-H137 WeakPolarHBondContact CA-O 3.34Å; F123-H137 WeakPolarHBondContact CB-O 3.18Å; N124-H137 PolarHBondContact N-O 3.33Å; N124-H137 PolarHBondContact O-N 2.96Å
138	V	98.2	Very high	94.8	Very high	11 Å²	11	63.1 Å²	63.1	7%	0.067	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	130.6	178.8	-170.8	0	0	0	0	109.4	P121 F123 Y164 S184 I186 I201	P121-V138 HydrophobicContact CB-CG1 4.03Å; F123-V138 HydrophobicContact CB-CB 4.48Å; F123-V138 HydrophobicContact CB-CG2 4.23Å; V138-Y164 HydrophobicContact CB-CD2 4.48Å; V138-Y164 HydrophobicContact CB-CE2 4.23Å; V138-Y164 HydrophobicContact CG1-CD1 4.15Å; V138-Y164 HydrophobicContact CG1-CD2 4.34Å; V138-Y164 HydrophobicContact CG1-CE1 3.71Å; V138-Y164 HydrophobicContact CG1-CE2 3.89Å; V138-Y164 HydrophobicContact CG1-CG 4.46Å; V138-Y164 HydrophobicContact CG2-CD2 4.4Å; V138-S184 WeakPolarHBondContact CB-O 3.34Å; V138-S184 WeakPolarHBondContact CG2-O 3.37Å; V138-S184 PolarHBondContact N-O 2.79Å; V138-I186 HydrophobicContact CG2-CD1 3.89Å; V138-I201 HydrophobicContact CG2-CD1 3.64Å; V138-I201 HydrophobicContact CG2-CG2 4.28Å
139	T	97.6	Very high	94.6	Very high	79 Å²	79	67.8 Å²	67.8	49%	0.485	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	114.9	169.8	-53.1	0	0	0	0	108.1	T122 P141	T122-T139 PolarHBondContact O-N 3.42Å; T122-T139 WeakPolarHBondContact OG1-CB 3.44Å; T139-P141 WeakPolarHBondContact O-CD 3.09Å
140	D	97.2	Very high	94.8	Very high	32 Å²	32	64.2 Å²	64.2	17%	0.171	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-65.4	123.5	-179.6	-57.5	-25.5	0	0	0	109.9	L142 I154 R155 Y164	D140-L142 PolarHBondContact O-N 3.41Å; D140-I154 HydrophobicContact CB-CG1 4.3Å; D140-R155 HydrophobicContact CB-CB 4.17Å; D140-R155 WeakPolarHBondContact OD2-CB 3.12Å; D140-Y164 PolarHBondContact OD1-OH 2.81Å
141	P	97.3	Very high	95.2	Very high	15 Å²	15	64.5 Å²	64.5	10%	0.097	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-53.2	135.3	176.5	-29	32.6	0	0	0	113.5	N28 P121 T139 S153 I154	N28-P141 WeakPolarHBondContact ND2-CB 3.16Å; P121-P141 HydrophobicContact CB-CG 4.3Å; T139-P141 WeakPolarHBondContact O-CD 3.09Å; P141-S153 CarbonylContact O-C 3.55Å; P141-S153 WeakPolarHBondContact O-CA 3.22Å; P141-I154 HydrophobicContact CB-CG1 4.46Å; P141-I154 HydrophobicContact CB-CG2 4.26Å; P141-I154 HydrophobicContact CG-CD1 4.05Å; P141-I154 HydrophobicContact CG-CG1 4.43Å; P141-I154 PolarHBondContact O-N 2.76Å
142	L	97.7	Very high	95.7	Very high	102 Å²	102	60.2 Å²	60.2	53%	0.534	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	152	171.2	-63.3	176.1	0	0	0	111.2	N28 D140 Q151	N28-L142 WeakPolarHBondContact CB-O 3.41Å; N28-L142 PolarHBondContact ND2-O 2.82Å; D140-L142 PolarHBondContact O-N 3.41Å; L142-Q151 HydrophobicContact CB-CG 4.46Å
143	T	97.8	Very high	95.9	Very high	3 Å²	3	56 Å²	56	2%	0.018	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	165.7	-177.9	74.9	0	0	0	0	112.1	N28 F29 V145 Q151 L152 I154 I157	N28-T143 HydrophobicContact CB-CG2 4.29Å; N28-T143 CarbonylContact O-C 3.44Å; N28-T143 WeakPolarHBondContact O-CA 3.41Å; N28-T143 VanDerWaalsContact O-CB 3.27Å; N28-T143 WeakPolarHBondContact O-CB 3.47Å; F29-T143 HydrophobicContact CD2-CG2 3.87Å; F29-T143 HydrophobicContact CE2-CG2 4.39Å; T143-V145 PolarHBondContact O-N 3.28Å; T143-V145 PolarHBondContact OG1-N 2.79Å; T143-Q151 VanDerWaalsContact O-CG 3.25Å; T143-Q151 WeakPolarHBondContact O-CG 3.25Å; T143-Q151 PolarHBondContact O-NE2 2.91Å; T143-L152 WeakPolarHBondContact CB-O 3.25Å; T143-L152 WeakPolarHBondContact CG2-O 3.47Å; T143-L152 PolarHBondContact N-O 2.97Å; T143-L152 PolarHBondContact OG1-O 2.73Å; T143-I154 HydrophobicContact CG2-CG2 3.7Å; T143-I157 HydrophobicContact CG2-CD1 3.87Å
144	A	96.8	Very high	96	Very high	20 Å²	20	55.3 Å²	55.3	17%	0.165	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	3.4	173.6	0	0	0	0	0	113.5	N28 K30	N28-A144 PolarHBondContact O-N 2.71Å; K30-A144 HydrophobicContact CB-CB 4.06Å; K30-A144 HydrophobicContact CD-CB 4.11Å
145	V	96.5	Very high	96.1	Very high	23 Å²	23	57.1 Å²	57.1	14%	0.139	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	131.3	-179.6	-173.2	0	0	0	0	109.9	F29 L79 T143 L152 I157	F29-V145 HydrophobicContact CB-CG2 3.6Å; F29-V145 HydrophobicContact CD1-CG2 4.29Å; F29-V145 HydrophobicContact CD2-CG2 4.34Å; F29-V145 HydrophobicContact CG-CG2 3.84Å; L79-V145 HydrophobicContact CD1-CG1 4.31Å; L79-V145 HydrophobicContact CD1-CG2 4.09Å; L79-V145 HydrophobicContact CD2-CG2 3.84Å; T143-V145 PolarHBondContact O-N 3.28Å; T143-V145 PolarHBondContact OG1-N 2.79Å; V145-L152 HydrophobicContact CB-CD1 4.47Å; V145-L152 HydrophobicContact CG1-CD1 3.92Å; V145-L152 HydrophobicContact CG1-CG 4.48Å; V145-L152 PolarHBondContact O-N 2.79Å; V145-I157 HydrophobicContact CB-CD1 4.18Å; V145-I157 HydrophobicContact CG2-CD1 3.93Å
146	F	94.3	Very high	96.1	Very high	123 Å²	123	61 Å²	61	54%	0.539	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	139.7	172.9	-71.9	-102.1	0	0	0	109.6	H150 Q151	F146-H150 CarbonylContact C-O 3.58Å; F146-H150 WeakPolarHBondContact CA-O 3.41Å; F146-Q151 HydrophobicContact CD1-CB 4.01Å; F146-Q151 HydrophobicContact CE1-CB 3.56Å; F146-Q151 HydrophobicContact CE1-CG 4.04Å; F146-Q151 HydrophobicContact CE2-CG 4.15Å; F146-Q151 HydrophobicContact CZ-CB 3.86Å; F146-Q151 HydrophobicContact CZ-CG 3.79Å
147	K	92.4	Very high	96	Very high	132 Å²	132	62.1 Å²	62.1	57%	0.574	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.1	124	171.7	-176.2	-178.9	176.8	-175.4	0	108	D149 H150 L152	K147-D149 VanDerWaalsContact C-N 3.3Å; K147-D149 PolarHBondContact O-N 3.27Å; K147-H150 PolarHBondContact N-O 2.74Å; K147-H150 WeakPolarHBondContact O-CA 3.3Å; K147-H150 WeakPolarHBondContact O-CB 3.28Å; K147-H150 PolarHBondContact O-N 2.9Å; K147-L152 HydrophobicContact CB-CD1 4.13Å; K147-L152 HydrophobicContact CB-CD2 4.19Å; K147-L152 HydrophobicContact CB-CG 4.3Å
148	D	90.1	Very high	96	Very high	146 Å²	146	58.6 Å²	58.6	78%	0.781	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	47.5	179.7	-50.5	-43.6	0	0	0	112.4	H150	D148-H150 PolarHBondContact O-N 3.23Å
149	D	89.1	Confident	95.9	Very high	165 Å²	165	61.2 Å²	61.2	88%	0.882	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	8.4	-174.2	-64.2	-36.9	0	0	0	116.1	K147	K147-D149 VanDerWaalsContact C-N 3.3Å; K147-D149 PolarHBondContact O-N 3.27Å
150	H	93.6	Very high	95.8	Very high	117 Å²	117	63.6 Å²	63.6	54%	0.542	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	126.6	173.9	-171.1	62.5	0	0	0	111.4	F146 K147 D148 L152	F146-H150 CarbonylContact C-O 3.58Å; F146-H150 WeakPolarHBondContact CA-O 3.41Å; K147-H150 PolarHBondContact N-O 2.74Å; K147-H150 WeakPolarHBondContact O-CA 3.3Å; K147-H150 WeakPolarHBondContact O-CB 3.28Å; K147-H150 PolarHBondContact O-N 2.9Å; D148-H150 PolarHBondContact O-N 3.23Å; H150-L152 PolarHBondContact O-N 2.75Å
151	Q	95.8	Very high	95.8	Very high	70 Å²	70	64.7 Å²	64.7	33%	0.327	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	124.3	173.4	-169.5	174.8	14	0	0	109.7	L142 T143 F146	L142-Q151 HydrophobicContact CB-CG 4.46Å; T143-Q151 VanDerWaalsContact O-CG 3.25Å; T143-Q151 WeakPolarHBondContact O-CG 3.25Å; T143-Q151 PolarHBondContact O-NE2 2.91Å; F146-Q151 HydrophobicContact CD1-CB 4.01Å; F146-Q151 HydrophobicContact CE1-CB 3.56Å; F146-Q151 HydrophobicContact CE1-CG 4.04Å; F146-Q151 HydrophobicContact CE2-CG 4.15Å; F146-Q151 HydrophobicContact CZ-CB 3.86Å; F146-Q151 HydrophobicContact CZ-CG 3.79Å
152	L	97.3	Very high	95.8	Very high	26 Å²	26	64 Å²	64	14%	0.136	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	140.8	-178.6	-58.4	-172.5	0	0	0	111.2	T143 V145 K147 H150 D156 I157	T143-L152 WeakPolarHBondContact CB-O 3.25Å; T143-L152 WeakPolarHBondContact CG2-O 3.47Å; T143-L152 PolarHBondContact N-O 2.97Å; T143-L152 PolarHBondContact OG1-O 2.73Å; V145-L152 HydrophobicContact CB-CD1 4.47Å; V145-L152 HydrophobicContact CG1-CD1 3.92Å; V145-L152 HydrophobicContact CG1-CG 4.48Å; V145-L152 PolarHBondContact O-N 2.79Å; K147-L152 HydrophobicContact CB-CD1 4.13Å; K147-L152 HydrophobicContact CB-CD2 4.19Å; K147-L152 HydrophobicContact CB-CG 4.3Å; H150-L152 PolarHBondContact O-N 2.75Å; L152-D156 HydrophobicContact CB-CB 4.09Å; L152-D156 HydrophobicContact CD2-CB 4.1Å; L152-I157 HydrophobicContact CB-CD1 4.36Å; L152-I157 HydrophobicContact CB-CG1 4.2Å; L152-I157 HydrophobicContact CD1-CG1 4.17Å
153	S	97.7	Very high	95.9	Very high	12 Å²	12	61.4 Å²	61.4	8%	0.084	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	168.9	164.5	73.5	0	0	0	0	111.3	P141 R155 D156 I157	P141-S153 CarbonylContact O-C 3.55Å; P141-S153 WeakPolarHBondContact O-CA 3.22Å; S153-R155 PolarHBondContact O-N 3.28Å; S153-R155 PolarHBondContact OG-N 2.92Å; S153-D156 WeakPolarHBondContact CB-OD2 3.36Å; S153-D156 PolarHBondContact N-OD2 2.86Å; S153-D156 PolarHBondContact O-N 2.85Å; S153-D156 VanDerWaalsContact OG-CG 3.31Å; S153-D156 PolarHBondContact OG-N 2.87Å; S153-D156 PolarHBondContact OG-OD2 3.36Å; S153-I157 PolarHBondContact O-N 3.14Å
154	I	97.6	Very high	95.9	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-61.4	-27.9	171.4	60.8	163.8	0	0	0	112.1	I118 D140 P141 T143 I157 F158 L162 A203	I118-I154 HydrophobicContact CD1-CG2 4.23Å; I118-I154 HydrophobicContact CG2-CD1 3.64Å; I118-I154 HydrophobicContact CG2-CG2 4.21Å; D140-I154 HydrophobicContact CB-CG1 4.3Å; P141-I154 HydrophobicContact CB-CG1 4.46Å; P141-I154 HydrophobicContact CB-CG2 4.26Å; P141-I154 HydrophobicContact CG-CD1 4.05Å; P141-I154 HydrophobicContact CG-CG1 4.43Å; P141-I154 PolarHBondContact O-N 2.76Å; T143-I154 HydrophobicContact CG2-CG2 3.7Å; I154-I157 PolarHBondContact O-N 2.83Å; I154-F158 HydrophobicContact CB-CD2 4.2Å; I154-F158 WeakPolarHBondContact O-CB 2.88Å; I154-F158 VanDerWaalsContact O-CD2 3.23Å; I154-F158 WeakPolarHBondContact O-CD2 3.38Å; I154-F158 PolarHBondContact O-N 3.04Å; I154-L162 HydrophobicContact CB-CD2 4.41Å; I154-L162 HydrophobicContact CD1-CD1 3.99Å; I154-L162 HydrophobicContact CD1-CD2 3.7Å; I154-L162 HydrophobicContact CG1-CD2 3.72Å; I154-A203 HydrophobicContact CD1-CB 4.15Å
155	R	97.6	Very high	96	Very high	43 Å²	43	62.8 Å²	62.8	16%	0.162	32%	0.315	C	S	.	.	H	α-helix	trans	-70.2	-38.3	177.2	177.7	62.7	64.4	-177.3	3.2	111.5	D140 S153 I157 S159 L162 S182	D140-R155 HydrophobicContact CB-CB 4.17Å; D140-R155 WeakPolarHBondContact OD2-CB 3.12Å; S153-R155 PolarHBondContact O-N 3.28Å; S153-R155 PolarHBondContact OG-N 2.92Å; R155-I157 PolarHBondContact O-N 2.82Å; R155-S159 PolarHBondContact NH1-O 2.86Å; R155-S159 WeakPolarHBondContact O-CA 3.28Å; R155-S159 PolarHBondContact O-N 3.26Å; R155-L162 HydrophobicContact CB-CD2 4.05Å; R155-L162 PolarHBondContact NH1-O 2.53Å; R155-S182 VanDerWaalsContact CZ-O 3.25Å; R155-S182 PolarHBondContact NH1-O 2.86Å; R155-S182 VanDerWaalsContact NH1-O 3.11Å; R155-S182 PolarHBondContact NH2-O 3.03Å
156	D	97.3	Very high	96.1	Very high	89 Å²	89	61.7 Å²	61.7	48%	0.476	31%	0.308	S	S	.	.	H	α-helix	trans	-65.3	-28.6	177.5	-57.9	-54.5	0	0	0	112.1	L152 S153	L152-D156 HydrophobicContact CB-CB 4.09Å; L152-D156 HydrophobicContact CD2-CB 4.1Å; S153-D156 WeakPolarHBondContact CB-OD2 3.36Å; S153-D156 PolarHBondContact N-OD2 2.86Å; S153-D156 PolarHBondContact O-N 2.85Å; S153-D156 VanDerWaalsContact OG-CG 3.31Å; S153-D156 PolarHBondContact OG-N 2.87Å; S153-D156 PolarHBondContact OG-OD2 3.36Å
157	I	96.9	Very high	96.2	Very high	22 Å²	22	57 Å²	57	11%	0.113	29%	0.291	C	S	.	.	H	α-helix	trans	-87.7	-48.5	-178.9	-63.3	174.5	0	0	0	112.2	F29 L79 Y113 T143 V145 L152 S153 I154 R155	F29-I157 HydrophobicContact CD2-CD1 3.61Å; F29-I157 HydrophobicContact CE2-CB 4.39Å; F29-I157 HydrophobicContact CE2-CD1 3.42Å; F29-I157 VanDerWaalsContact CE2-CD1 3.42Å; F29-I157 HydrophobicContact CE2-CG1 4.49Å; F29-I157 HydrophobicContact CE2-CG2 3.94Å; F29-I157 HydrophobicContact CG-CD1 4.34Å; F29-I157 HydrophobicContact CZ-CD1 4Å; F29-I157 HydrophobicContact CZ-CG2 3.64Å; L79-I157 HydrophobicContact CD1-CD1 3.94Å; L79-I157 HydrophobicContact CD1-CG1 4.16Å; L79-I157 HydrophobicContact CD1-CG2 3.87Å; Y113-I157 HydrophobicContact CD2-CG2 4.06Å; Y113-I157 HydrophobicContact CE2-CG2 3.87Å; T143-I157 HydrophobicContact CG2-CD1 3.87Å; V145-I157 HydrophobicContact CB-CD1 4.18Å; V145-I157 HydrophobicContact CG2-CD1 3.93Å; L152-I157 HydrophobicContact CB-CD1 4.36Å; L152-I157 HydrophobicContact CB-CG1 4.2Å; L152-I157 HydrophobicContact CD1-CG1 4.17Å; S153-I157 PolarHBondContact O-N 3.14Å; I154-I157 PolarHBondContact O-N 2.83Å; R155-I157 PolarHBondContact O-N 2.82Å
158	F	97.1	Very high	96.4	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-92.7	-14	-175	-66	-67	0	0	0	113.5	F29 Y113 I118 I154 D160 E161 L162 I205	F29-F158 AromaticContact CE2-CE2 3.8Å; F29-F158 HydrophobicContact CE2-CE2 3.8Å; F29-F158 AromaticContact CE2-CZ 3.89Å; F29-F158 HydrophobicContact CE2-CZ 3.89Å; F29-F158 HydrophobicContact CZ-CE1 4.47Å; F29-F158 AromaticContact CZ-CE2 3.97Å; F29-F158 HydrophobicContact CZ-CE2 3.97Å; F29-F158 AromaticContact CZ-CZ 3.57Å; F29-F158 HydrophobicContact CZ-CZ 3.57Å; Y113-F158 HydrophobicContact CD1-CE1 4.17Å; Y113-F158 HydrophobicContact CD2-CD1 4.26Å; Y113-F158 AromaticContact CD2-CE1 3.74Å; Y113-F158 HydrophobicContact CD2-CE1 3.74Å; Y113-F158 HydrophobicContact CD2-CZ 4.47Å; Y113-F158 HydrophobicContact CE1-CD1 4.1Å; Y113-F158 HydrophobicContact CE1-CE1 4.04Å; Y113-F158 AromaticContact CE2-CD1 3.63Å; Y113-F158 HydrophobicContact CE2-CD1 3.63Å; Y113-F158 AromaticContact CE2-CE1 3.59Å; Y113-F158 HydrophobicContact CE2-CE1 3.59Å; Y113-F158 HydrophobicContact CG-CE1 4.04Å; Y113-F158 AromaticContact CZ-CD1 3.54Å; Y113-F158 AromaticContact CZ-CE1 3.76Å; Y113-F158 WeakPolarHBondContact O-CE1 3.29Å; I118-F158 HydrophobicContact CD1-CD2 4.47Å; I118-F158 HydrophobicContact CD1-CE2 3.6Å; I118-F158 HydrophobicContact CD1-CZ 4.16Å; I154-F158 HydrophobicContact CB-CD2 4.2Å; I154-F158 WeakPolarHBondContact O-CB 2.88Å; I154-F158 VanDerWaalsContact O-CD2 3.23Å; I154-F158 WeakPolarHBondContact O-CD2 3.38Å; I154-F158 PolarHBondContact O-N 3.04Å; F158-D160 PolarHBondContact O-N 3.48Å; F158-D160 VanDerWaalsContact O-N 3.09Å; F158-E161 WeakPolarHBondContact O-CA 3.41Å; F158-E161 VanDerWaalsContact O-CB 3.29Å; F158-E161 WeakPolarHBondContact O-CB 3.41Å; F158-E161 PolarHBondContact O-N 2.04Å; F158-L162 HydrophobicContact CB-CB 3.82Å; F158-I205 HydrophobicContact CD1-CD1 3.85Å; F158-I205 HydrophobicContact CD1-CG2 4.3Å; F158-I205 HydrophobicContact CD2-CD1 3.67Å; F158-I205 HydrophobicContact CE1-CD1 3.87Å; F158-I205 HydrophobicContact CE2-CD1 3.7Å; F158-I205 HydrophobicContact CG-CD1 3.78Å; F158-I205 HydrophobicContact CG-CG1 4.41Å; F158-I205 HydrophobicContact CZ-CD1 3.82Å
159	S	96.2	Very high	96.7	Very high	66 Å²	66	47.3 Å²	47.3	46%	0.462	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	50.3	-114.9	174	-175.4	0	0	0	0	112.5	R155	R155-S159 PolarHBondContact NH1-O 2.86Å; R155-S159 WeakPolarHBondContact O-CA 3.28Å; R155-S159 PolarHBondContact O-N 3.26Å
160	D	95.4	Very high	96.9	Very high	129 Å²	129	42.5 Å²	42.5	69%	0.69	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-79.3	-17.3	-178.2	55.8	-50.1	0	0	0	113.3	F158 L162	F158-D160 PolarHBondContact O-N 3.48Å; F158-D160 VanDerWaalsContact O-N 3.09Å; D160-L162 VanDerWaalsContact C-N 3.28Å
161	E	96.9	Very high	96.6	Very high	55 Å²	55	42.2 Å²	42.2	26%	0.257	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-74.9	-20.1	174	-55.7	-175.5	-121.7	0	0	112.1	Y113 F158 I205 P206 S207	Y113-E161 PolarHBondContact OH-OE1 2.98Å; F158-E161 WeakPolarHBondContact O-CA 3.41Å; F158-E161 VanDerWaalsContact O-CB 3.29Å; F158-E161 WeakPolarHBondContact O-CB 3.41Å; F158-E161 PolarHBondContact O-N 2.04Å; E161-I205 HydrophobicContact CB-CG2 4.3Å; E161-P206 VanDerWaalsContact O-CD 3.3Å; E161-P206 WeakPolarHBondContact O-CD 3.47Å; E161-S207 WeakPolarHBondContact OE2-CB 3.39Å; E161-S207 PolarHBondContact OE2-OG 3.1Å
162	L	98.3	Very high	96.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.235	C	C	.	.			trans	-82	126	178.5	176.3	64.4	0	0	0	111.7	I154 R155 F158 D160 A203 I205	I154-L162 HydrophobicContact CB-CD2 4.41Å; I154-L162 HydrophobicContact CD1-CD1 3.99Å; I154-L162 HydrophobicContact CD1-CD2 3.7Å; I154-L162 HydrophobicContact CG1-CD2 3.72Å; R155-L162 HydrophobicContact CB-CD2 4.05Å; R155-L162 PolarHBondContact NH1-O 2.53Å; F158-L162 HydrophobicContact CB-CB 3.82Å; D160-L162 VanDerWaalsContact C-N 3.28Å; L162-A203 HydrophobicContact CD1-CB 3.87Å; L162-I205 HydrophobicContact CD1-CG1 4.19Å
163	Q	98.5	Very high	95.5	Very high	49 Å²	49	49 Å²	49	23%	0.229	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	165.2	171.9	-58.9	178	-1.7	0	0	110.1	T180 F181 A203 H204 P206	Q163-T180 HydrophobicContact CB-CG2 3.72Å; Q163-T180 HydrophobicContact CG-CG2 4.37Å; Q163-F181 CarbonylContact C-O 3.58Å; Q163-F181 VanDerWaalsContact CA-O 3.29Å; Q163-F181 WeakPolarHBondContact CA-O 3.43Å; Q163-A203 CarbonylContact O-C 3.59Å; Q163-H204 WeakPolarHBondContact CA-O 3.2Å; Q163-H204 HydrophobicContact CB-CB 4.34Å; Q163-H204 WeakPolarHBondContact CB-O 3.34Å; Q163-H204 PolarHBondContact N-O 2.59Å; Q163-H204 PolarHBondContact O-N 3.1Å; Q163-P206 HydrophobicContact CG-CG 4.47Å
164	Y	98.6	Very high	94.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	120.3	173.3	-74.4	-63.6	0	0	0	109.9	P121 V138 D140 T180 F181 I186 I201 A203	P121-Y164 HydrophobicContact CB-CE1 4.21Å; P121-Y164 HydrophobicContact CG-CE1 4.49Å; V138-Y164 HydrophobicContact CB-CD2 4.48Å; V138-Y164 HydrophobicContact CB-CE2 4.23Å; V138-Y164 HydrophobicContact CG1-CD1 4.15Å; V138-Y164 HydrophobicContact CG1-CD2 4.34Å; V138-Y164 HydrophobicContact CG1-CE1 3.71Å; V138-Y164 HydrophobicContact CG1-CE2 3.89Å; V138-Y164 HydrophobicContact CG1-CG 4.46Å; V138-Y164 HydrophobicContact CG2-CD2 4.4Å; D140-Y164 PolarHBondContact OD1-OH 2.81Å; Y164-T180 CarbonylContact O-C 3.53Å; Y164-T180 VanDerWaalsContact O-CA 3.29Å; Y164-T180 WeakPolarHBondContact O-CA 3.44Å; Y164-F181 PolarHBondContact N-O 2.8Å; Y164-F181 PolarHBondContact O-N 3.44Å; Y164-I186 HydrophobicContact CD2-CD1 4.46Å; Y164-I186 HydrophobicContact CG-CD1 4.42Å; Y164-I201 HydrophobicContact CD1-CG2 3.64Å; Y164-I201 HydrophobicContact CG-CG2 4.06Å; Y164-A203 HydrophobicContact CE1-CB 4.24Å
165	K	98.4	Very high	94.4	Very high	51 Å²	51	57.8 Å²	57.8	22%	0.222	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	116.1	169.5	-177.3	-179.1	-177.4	180	0	108.3	I178 I201 Q202 H204 F213	K165-I178 HydrophobicContact CD-CG2 4.29Å; K165-I178 VanDerWaalsContact CE-CG2 3.47Å; K165-I178 HydrophobicContact CG-CG2 3.87Å; K165-I201 WeakPolarHBondContact O-CA 3.41Å; K165-Q202 HydrophobicContact CB-CG 3.96Å; K165-Q202 HydrophobicContact CD-CG 4.46Å; K165-Q202 PolarHBondContact N-O 2.88Å; K165-Q202 PolarHBondContact O-N 3.03Å; K165-H204 HydrophobicContact CB-CB 4.39Å; K165-F213 HydrophobicContact CD-CD1 4.35Å; K165-F213 HydrophobicContact CD-CE1 3.83Å
166	V	98.3	Very high	94.2	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	117.2	179.8	-177.3	0	0	0	0	108.8	L136 Y168 I178 Q179 F181 I186 F199 K200 I201	L136-V166 HydrophobicContact CD1-CG1 3.7Å; L136-V166 HydrophobicContact CD1-CG2 4.27Å; V166-Y168 HydrophobicContact CG1-CD1 4.37Å; V166-I178 WeakPolarHBondContact O-CA 3.05Å; V166-Q179 PolarHBondContact N-O 2.79Å; V166-Q179 PolarHBondContact O-N 3.1Å; V166-F181 HydrophobicContact CB-CD2 4.39Å; V166-F181 HydrophobicContact CB-CE2 4.16Å; V166-F181 HydrophobicContact CG2-CD2 3.81Å; V166-F181 HydrophobicContact CG2-CE2 4.01Å; V166-I186 HydrophobicContact CG2-CD1 3.76Å; V166-I186 HydrophobicContact CG2-CG2 4.42Å; V166-F199 HydrophobicContact CG1-CD1 4.24Å; V166-K200 WeakPolarHBondContact CA-O 3.27Å; V166-I201 HydrophobicContact CG2-CG1 4.23Å; V166-I201 HydrophobicContact CG2-CG2 4.41Å
167	S	97.7	Very high	94.1	Very high	25 Å²	25	60.4 Å²	60.4	18%	0.175	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	125.5	169.4	-60.6	0	0	0	0	108.4	K177 F199 K200	S167-K177 CarbonylContact C-O 3.55Å; S167-K177 WeakPolarHBondContact CA-O 3.49Å; S167-F199 CarbonylContact O-C 3.58Å; S167-F199 WeakPolarHBondContact O-CA 3.05Å; S167-K200 PolarHBondContact N-O 2.93Å; S167-K200 PolarHBondContact O-N 3.16Å
168	Y	96.9	Very high	94.2	Very high	13 Å²	13	63.9 Å²	63.9	5%	0.051	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	149.3	-178.6	68.2	-78.5	0	0	0	112.3	V166 S176 K177 Q179 I188 L191 Y197 C198 F199	V166-Y168 HydrophobicContact CG1-CD1 4.37Å; Y168-S176 CarbonylContact O-C 3.39Å; Y168-S176 WeakPolarHBondContact O-CA 3.38Å; Y168-K177 HydrophobicContact CD1-CB 4.01Å; Y168-K177 WeakPolarHBondContact CD1-O 3.46Å; Y168-K177 HydrophobicContact CD2-CB 4.33Å; Y168-K177 HydrophobicContact CE1-CB 3.46Å; Y168-K177 VanDerWaalsContact CE1-CB 3.46Å; Y168-K177 HydrophobicContact CE2-CB 3.84Å; Y168-K177 HydrophobicContact CE2-CD 3.67Å; Y168-K177 HydrophobicContact CE2-CG 4.3Å; Y168-K177 HydrophobicContact CG-CB 4.41Å; Y168-K177 PolarHBondContact N-O 3.19Å; Y168-K177 PolarHBondContact O-N 3.14Å; Y168-K177 WeakPolarHBondContact OH-CD 3.44Å; Y168-Q179 HydrophobicContact CE1-CG 4.15Å; Y168-Q179 VanDerWaalsContact CE1-NE2 3.32Å; Y168-Q179 PolarHBondContact OH-NE2 2.83Å; Y168-I188 HydrophobicContact CD2-CG2 4.45Å; Y168-I188 HydrophobicContact CE1-CG2 4.47Å; Y168-I188 HydrophobicContact CE2-CG2 4.04Å; Y168-L191 HydrophobicContact CD2-CD2 4.27Å; Y168-L191 HydrophobicContact CE2-CD2 3.91Å; Y168-Y197 HydrophobicContact CD2-CD1 4.05Å; Y168-Y197 HydrophobicContact CD2-CE1 4.43Å; Y168-C198 CarbonylContact C-O 3.6Å; Y168-C198 WeakPolarHBondContact CA-O 3.48Å; Y168-C198 WeakPolarHBondContact CB-O 3.19Å; Y168-F199 VanDerWaalsContact CB-CD1 3.43Å; Y168-F199 HydrophobicContact CD2-CE1 4.37Å; Y168-F199 HydrophobicContact CG-CD1 4.26Å; Y168-F199 HydrophobicContact CG-CE1 4.14Å
169	W	95.6	Very high	94.2	Very high	62 Å²	62	67.5 Å²	67.5	24%	0.235	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	155.4	-176.5	60	101.4	0	0	0	110.2	G175 Y197 C198 K200 T219	W169-G175 WeakPolarHBondContact CB-O 3.19Å; W169-Y197 CarbonylContact O-C 3.47Å; W169-Y197 WeakPolarHBondContact O-CA 3.35Å; W169-C198 HydrophobicContact CD2-CB 4.09Å; W169-C198 VanDerWaalsContact CE2-CB 3.49Å; W169-C198 HydrophobicContact CH2-CB 4.23Å; W169-C198 HydrophobicContact CZ2-CB 3.59Å; W169-C198 PolarHBondContact N-O 3.19Å; W169-C198 PolarHBondContact O-N 3.17Å; W169-K200 HydrophobicContact CH2-CB 4.49Å; W169-K200 HydrophobicContact CH2-CD 4.03Å; W169-K200 HydrophobicContact CH2-CG 3.9Å; W169-K200 HydrophobicContact CZ3-CB 4.32Å; W169-K200 HydrophobicContact CZ3-CD 4.41Å; W169-K200 HydrophobicContact CZ3-CG 4.22Å; W169-T219 HydrophobicContact CH2-CG2 3.72Å; W169-T219 HydrophobicContact CZ2-CG2 3.64Å
170	K	93.8	Very high	94.3	Very high	63 Å²	63	67.5 Å²	67.5	27%	0.274	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	138.7	168.5	-61.4	-180	-177.4	-171.3	0	108.8	Q172 S173 D192 E195 S196 Y197	K170-Q172 PolarHBondContact O-N 2.94Å; K170-Q172 VanDerWaalsContact O-N 3.1Å; K170-S173 PolarHBondContact O-N 3.05Å; K170-D192 WeakPolarHBondContact CE-OD2 3.41Å; K170-D192 IonicContact NZ-OD2 3.28Å; K170-D192 PolarHBondContact NZ-OD2 3.2Å; K170-E195 HydrophobicContact CD-CG 4.42Å; K170-S196 WeakPolarHBondContact CA-O 3.35Å; K170-Y197 HydrophobicContact CB-CE1 4.46Å; K170-Y197 VanDerWaalsContact CE-OH 3.24Å; K170-Y197 WeakPolarHBondContact CE-OH 3.27Å; K170-Y197 HydrophobicContact CG-CD1 4.18Å; K170-Y197 HydrophobicContact CG-CE1 3.5Å; K170-Y197 VanDerWaalsContact CG-CE1 3.5Å; K170-Y197 HydrophobicContact CG-CE2 4.34Å
171	Q	87.4	Confident	94.4	Very high	111 Å²	111	63.4 Å²	63.4	52%	0.519	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-33	-176	-172.1	173.2	8.8	0	0	113.3	S196	Q171-S196 PolarHBondContact N-O 2.96Å
172	Q	84.8	Confident	94.4	Very high	184 Å²	184	64.2 Å²	64.2	86%	0.86	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	12	-179.6	-59.2	-176.9	-1.6	0	0	113.9	K170	K170-Q172 PolarHBondContact O-N 2.94Å; K170-Q172 VanDerWaalsContact O-N 3.1Å
173	S	85.3	Confident	94.4	Very high	56 Å²	56	67 Å²	67	39%	0.392	37%	0.367	S	S	.	.			trans	-115.7	153.6	-178.9	-171.6	0	0	0	0	112.1	K170 G175	K170-S173 PolarHBondContact O-N 3.05Å; S173-G175 PolarHBondContact OG-N 2.92Å
174	T	81.1	Confident	94.3	Very high	154 Å²	154	66.4 Å²	66.4	95%	0.945	37%	0.368	S	S	*	.	S	Bend	trans	-86.8	-15.9	171.1	52.5	0	0	0	0	113
175	G	89.5	Confident	94.3	Very high	42 Å²	42	69.8 Å²	69.8	43%	0.433	39%	0.388	S	S	.	.			trans	-81.4	134.1	-178.4	0	0	0	0	0	112.6	W169 S173	W169-G175 WeakPolarHBondContact CB-O 3.19Å; S173-G175 PolarHBondContact OG-N 2.92Å
176	S	94.1	Very high	94.3	Very high	79 Å²	79	67.4 Å²	67.4	55%	0.552	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.7	149.3	173.3	69.3	0	0	0	0	111.7	Y168	Y168-S176 CarbonylContact O-C 3.39Å; Y168-S176 WeakPolarHBondContact O-CA 3.38Å
177	K	96.3	Very high	94.2	Very high	108 Å²	108	72.9 Å²	72.9	47%	0.47	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	146.6	173.6	-66.4	-179.3	-178.1	177.9	0	108.7	S167 Y168	S167-K177 CarbonylContact C-O 3.55Å; S167-K177 WeakPolarHBondContact CA-O 3.49Å; Y168-K177 HydrophobicContact CD1-CB 4.01Å; Y168-K177 WeakPolarHBondContact CD1-O 3.46Å; Y168-K177 HydrophobicContact CD2-CB 4.33Å; Y168-K177 HydrophobicContact CE1-CB 3.46Å; Y168-K177 VanDerWaalsContact CE1-CB 3.46Å; Y168-K177 HydrophobicContact CE2-CB 3.84Å; Y168-K177 HydrophobicContact CE2-CD 3.67Å; Y168-K177 HydrophobicContact CE2-CG 4.3Å; Y168-K177 HydrophobicContact CG-CB 4.41Å; Y168-K177 PolarHBondContact N-O 3.19Å; Y168-K177 PolarHBondContact O-N 3.14Å; Y168-K177 WeakPolarHBondContact OH-CD 3.44Å
178	I	97.5	Very high	94.2	Very high	94 Å²	94	71.7 Å²	71.7	48%	0.482	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	130.8	-179.8	-62.2	176.4	0	0	0	108.3	K165 V166	K165-I178 HydrophobicContact CD-CG2 4.29Å; K165-I178 VanDerWaalsContact CE-CG2 3.47Å; K165-I178 HydrophobicContact CG-CG2 3.87Å; V166-I178 WeakPolarHBondContact O-CA 3.05Å
179	Q	97.8	Very high	94.1	Very high	77 Å²	77	74.3 Å²	74.3	36%	0.36	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	155	174.2	-68.4	-174	94.2	0	0	110	V166 Y168 F181	V166-Q179 PolarHBondContact N-O 2.79Å; V166-Q179 PolarHBondContact O-N 3.1Å; Y168-Q179 HydrophobicContact CE1-CG 4.15Å; Y168-Q179 VanDerWaalsContact CE1-NE2 3.32Å; Y168-Q179 PolarHBondContact OH-NE2 2.83Å; Q179-F181 HydrophobicContact CB-CD2 4.43Å; Q179-F181 HydrophobicContact CB-CE2 3.43Å; Q179-F181 VanDerWaalsContact CB-CE2 3.43Å; Q179-F181 HydrophobicContact CB-CZ 3.62Å; Q179-F181 HydrophobicContact CG-CZ 4.47Å
180	T	98.1	Very high	94	Very high	65 Å²	65	78 Å²	78	40%	0.399	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	136.8	-178.7	-55.5	0	0	0	0	110	Q163 Y164	Q163-T180 HydrophobicContact CB-CG2 3.72Å; Q163-T180 HydrophobicContact CG-CG2 4.37Å; Y164-T180 CarbonylContact O-C 3.53Å; Y164-T180 VanDerWaalsContact O-CA 3.29Å; Y164-T180 WeakPolarHBondContact O-CA 3.44Å
181	F	98.3	Very high	94	Very high	44 Å²	44	75.3 Å²	75.3	19%	0.193	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	140.9	-174.9	-57.7	-89.1	0	0	0	110.9	Q163 Y164 V166 Q179 I186 I188	Q163-F181 CarbonylContact C-O 3.58Å; Q163-F181 VanDerWaalsContact CA-O 3.29Å; Q163-F181 WeakPolarHBondContact CA-O 3.43Å; Y164-F181 PolarHBondContact N-O 2.8Å; Y164-F181 PolarHBondContact O-N 3.44Å; V166-F181 HydrophobicContact CB-CD2 4.39Å; V166-F181 HydrophobicContact CB-CE2 4.16Å; V166-F181 HydrophobicContact CG2-CD2 3.81Å; V166-F181 HydrophobicContact CG2-CE2 4.01Å; Q179-F181 HydrophobicContact CB-CD2 4.43Å; Q179-F181 HydrophobicContact CB-CE2 3.43Å; Q179-F181 VanDerWaalsContact CB-CE2 3.43Å; Q179-F181 HydrophobicContact CB-CZ 3.62Å; Q179-F181 HydrophobicContact CG-CZ 4.47Å; F181-I186 HydrophobicContact CB-CD1 3.98Å; F181-I186 HydrophobicContact CB-CG1 3.86Å; F181-I186 HydrophobicContact CB-CG2 4.25Å; F181-I186 HydrophobicContact CD1-CG2 3.76Å; F181-I186 HydrophobicContact CD2-CB 4.49Å; F181-I186 HydrophobicContact CD2-CD1 4.12Å; F181-I186 HydrophobicContact CD2-CG1 4.35Å; F181-I186 HydrophobicContact CD2-CG2 3.4Å; F181-I186 VanDerWaalsContact CD2-CG2 3.4Å; F181-I186 HydrophobicContact CE1-CG2 3.88Å; F181-I186 HydrophobicContact CE2-CG2 3.53Å; F181-I186 HydrophobicContact CG-CB 4.37Å; F181-I186 HydrophobicContact CG-CD1 4.26Å; F181-I186 HydrophobicContact CG-CG1 4.09Å; F181-I186 HydrophobicContact CG-CG2 3.52Å; F181-I186 HydrophobicContact CZ-CG2 3.77Å; F181-I188 HydrophobicContact CE1-CD1 4.33Å; F181-I188 HydrophobicContact CE2-CD1 3.56Å; F181-I188 HydrophobicContact CZ-CD1 3.34Å
182	S	97.3	Very high	94.2	Very high	72 Å²	72	73.5 Å²	73.5	50%	0.503	42%	0.42	S	S	.	.	S	Bend	trans	-83	-19.6	175.7	-52.2	0	0	0	0	113	R155	R155-S182 VanDerWaalsContact CZ-O 3.25Å; R155-S182 PolarHBondContact NH1-O 2.86Å; R155-S182 VanDerWaalsContact NH1-O 3.11Å; R155-S182 PolarHBondContact NH2-O 3.03Å
183	S	97.1	Very high	94.4	Very high	59 Å²	59	72.9 Å²	72.9	41%	0.413	41%	0.409	S	S	.	.	S	Bend	trans	-88.8	150.5	-177.7	179.3	0	0	0	0	112.6	V185 I186	S183-V185 VanDerWaalsContact CB-O 3.32Å; S183-V185 WeakPolarHBondContact CB-O 3.08Å; S183-V185 PolarHBondContact OG-N 2.57Å; S183-V185 PolarHBondContact OG-O 2.88Å; S183-I186 VanDerWaalsContact O-CG1 3.23Å; S183-I186 WeakPolarHBondContact O-CG1 3.47Å
184	S	96.9	Very high	94.1	Very high	35 Å²	35	72.4 Å²	72.4	25%	0.245	41%	0.413	C	S	.	.	S	Bend	trans	-80.2	-17	168	55.3	0	0	0	0	112.9	V138	V138-S184 WeakPolarHBondContact CB-O 3.34Å; V138-S184 WeakPolarHBondContact CG2-O 3.37Å; V138-S184 PolarHBondContact N-O 2.79Å
185	V	98	Very high	94.5	Very high	71 Å²	71	68.8 Å²	68.8	43%	0.43	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	110.6	167.7	-175.8	0	0	0	0	108	T135 L136 S183	T135-V185 HydrophobicContact CG2-CG1 3.61Å; L136-V185 WeakPolarHBondContact O-CA 3.4Å; S183-V185 VanDerWaalsContact CB-O 3.32Å; S183-V185 WeakPolarHBondContact CB-O 3.08Å; S183-V185 PolarHBondContact OG-N 2.57Å; S183-V185 PolarHBondContact OG-O 2.88Å
186	I	98.1	Very high	94.5	Very high	1 Å²	1	67.2 Å²	67.2	1%	0.005	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	119.2	-168.7	-59.8	171.2	0	0	0	109.4	T135 L136 V138 Y164 V166 F181 S183 I188	T135-I186 CarbonylContact C-O 3.55Å; T135-I186 VanDerWaalsContact CA-O 3.28Å; T135-I186 WeakPolarHBondContact CA-O 3.39Å; L136-I186 HydrophobicContact CB-CB 4.22Å; L136-I186 HydrophobicContact CD1-CG2 4.49Å; L136-I186 PolarHBondContact N-O 2.84Å; L136-I186 PolarHBondContact O-N 2.8Å; V138-I186 HydrophobicContact CG2-CD1 3.89Å; Y164-I186 HydrophobicContact CD2-CD1 4.46Å; Y164-I186 HydrophobicContact CG-CD1 4.42Å; V166-I186 HydrophobicContact CG2-CD1 3.76Å; V166-I186 HydrophobicContact CG2-CG2 4.42Å; F181-I186 HydrophobicContact CB-CD1 3.98Å; F181-I186 HydrophobicContact CB-CG1 3.86Å; F181-I186 HydrophobicContact CB-CG2 4.25Å; F181-I186 HydrophobicContact CD1-CG2 3.76Å; F181-I186 HydrophobicContact CD2-CB 4.49Å; F181-I186 HydrophobicContact CD2-CD1 4.12Å; F181-I186 HydrophobicContact CD2-CG1 4.35Å; F181-I186 HydrophobicContact CD2-CG2 3.4Å; F181-I186 VanDerWaalsContact CD2-CG2 3.4Å; F181-I186 HydrophobicContact CE1-CG2 3.88Å; F181-I186 HydrophobicContact CE2-CG2 3.53Å; F181-I186 HydrophobicContact CG-CB 4.37Å; F181-I186 HydrophobicContact CG-CD1 4.26Å; F181-I186 HydrophobicContact CG-CG1 4.09Å; F181-I186 HydrophobicContact CG-CG2 3.52Å; F181-I186 HydrophobicContact CZ-CG2 3.77Å; S183-I186 VanDerWaalsContact O-CG1 3.23Å; S183-I186 WeakPolarHBondContact O-CG1 3.47Å; I186-I188 HydrophobicContact CG2-CD1 3.76Å; I186-I188 HydrophobicContact CG2-CG1 4.31Å
187	E	97.6	Very high	94.6	Very high	115 Å²	115	63.8 Å²	63.8	54%	0.537	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	120.8	174.7	-62.8	-170.6	161.8	0	0	110.9	T135	T135-E187 HydrophobicContact CG2-CG 4.35Å
188	I	96.8	Very high	94.5	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.005	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	109.8	172.4	-51.4	-61.2	0	0	0	107.9	T133 V134 L136 Y168 F181 I186 L191 F199	T133-I188 WeakPolarHBondContact CA-O 3.3Å; V134-I188 PolarHBondContact N-O 2.88Å; V134-I188 PolarHBondContact O-N 3.22Å; L136-I188 HydrophobicContact CD1-CG1 4.24Å; Y168-I188 HydrophobicContact CD2-CG2 4.45Å; Y168-I188 HydrophobicContact CE1-CG2 4.47Å; Y168-I188 HydrophobicContact CE2-CG2 4.04Å; F181-I188 HydrophobicContact CE1-CD1 4.33Å; F181-I188 HydrophobicContact CE2-CD1 3.56Å; F181-I188 HydrophobicContact CZ-CD1 3.34Å; I186-I188 HydrophobicContact CG2-CD1 3.76Å; I186-I188 HydrophobicContact CG2-CG1 4.31Å; I188-L191 HydrophobicContact CG2-CD1 4.31Å; I188-L191 HydrophobicContact CG2-CD2 3.8Å; I188-L191 HydrophobicContact CG2-CG 4.18Å; I188-F199 HydrophobicContact CG1-CE1 4.18Å
189	T	95.3	Very high	94.5	Very high	68 Å²	68	54.4 Å²	54.4	42%	0.417	30%	0.299	S	S	.	.			trans	-102.8	176.2	-179.1	59.6	0	0	0	0	111.6	K132 T133 L191	K132-T189 CarbonylContact O-C 3.5Å; T133-T189 HydrophobicContact CG2-CG2 3.88Å; T189-L191 PolarHBondContact O-N 3.06Å
190	N	94.1	Very high	94.5	Very high	138 Å²	138	54 Å²	54	74%	0.738	30%	0.297	S	S	*	.	S	Bend	trans	58.2	34.2	178.4	-55.9	-57.3	0	0	0	113.2	K132	K132-N190 PolarHBondContact O-N 3.12Å
191	L	93.7	Very high	94.5	Very high	7 Å²	7	51 Å²	51	4%	0.037	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-77.8	151.5	169	-58.6	176.7	0	0	0	110.1	K132 V134 Y168 I188 T189 Y197 F199	K132-L191 WeakPolarHBondContact CG-O 3.36Å; K132-L191 VanDerWaalsContact O-CB 3.29Å; K132-L191 WeakPolarHBondContact O-CB 3.34Å; K132-L191 PolarHBondContact O-N 2.79Å; V134-L191 HydrophobicContact CB-CD1 3.92Å; V134-L191 HydrophobicContact CG2-CD1 3.57Å; Y168-L191 HydrophobicContact CD2-CD2 4.27Å; Y168-L191 HydrophobicContact CE2-CD2 3.91Å; I188-L191 HydrophobicContact CG2-CD1 4.31Å; I188-L191 HydrophobicContact CG2-CD2 3.8Å; I188-L191 HydrophobicContact CG2-CG 4.18Å; T189-L191 PolarHBondContact O-N 3.06Å; L191-Y197 HydrophobicContact CB-CD2 4.22Å; L191-Y197 HydrophobicContact CB-CE2 3.75Å; L191-Y197 HydrophobicContact CD1-CD2 4.19Å; L191-Y197 HydrophobicContact CD1-CG 4.42Å; L191-Y197 HydrophobicContact CD2-CD1 3.92Å; L191-Y197 HydrophobicContact CD2-CD2 4.19Å; L191-Y197 HydrophobicContact CD2-CE1 3.73Å; L191-Y197 HydrophobicContact CD2-CE2 4.03Å; L191-Y197 HydrophobicContact CD2-CG 4.14Å; L191-Y197 HydrophobicContact CG-CD2 4.44Å; L191-Y197 HydrophobicContact CG-CE2 4.32Å; L191-F199 HydrophobicContact CD1-CZ 4.44Å
192	D	91.1	Very high	94.5	Very high	74 Å²	74	50 Å²	50	40%	0.396	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-72.4	130.6	177.6	-66.7	-46.1	0	0	0	111	K170 G194 E195 Y197	K170-D192 WeakPolarHBondContact CE-OD2 3.41Å; K170-D192 IonicContact NZ-OD2 3.28Å; K170-D192 PolarHBondContact NZ-OD2 3.2Å; D192-G194 PolarHBondContact O-N 3.02Å; D192-E195 HydrophobicContact CB-CB 4.19Å; D192-E195 HydrophobicContact CB-CG 3.69Å; D192-E195 PolarHBondContact O-N 2.98Å; D192-Y197 WeakPolarHBondContact CB-OH 3.41Å; D192-Y197 PolarHBondContact N-OH 2.75Å; D192-Y197 VanDerWaalsContact N-OH 3.17Å; D192-Y197 PolarHBondContact OD2-OH 3.01Å
193	R	87.7	Confident	94.5	Very high	171 Å²	171	46.6 Å²	46.6	65%	0.645	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	128.9	-175.3	-161.9	-178	-137.3	-173	-0.7	110.7	D130 K131 K132 E195	D130-R193 PolarHBondContact O-NE 3.1Å; K131-R193 HydrophobicContact CB-CG 3.99Å; K132-R193 HydrophobicContact CG-CB 4.29Å; R193-E195 VanDerWaalsContact C-N 3.3Å
194	G	80.5	Confident	94.6	Very high	46 Å²	46	45.1 Å²	45.1	47%	0.474	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	5.8	178.9	0	0	0	0	0	114.4	D192	D192-G194 PolarHBondContact O-N 3.02Å
195	E	88.4	Confident	94.6	Very high	78 Å²	78	43.4 Å²	43.4	36%	0.364	23%	0.225	S	C	.	.			trans	-98.1	137.8	173.7	-65.9	-66.2	148.3	0	0	110.9	K170 D192 R193 Y197	K170-E195 HydrophobicContact CD-CG 4.42Å; D192-E195 HydrophobicContact CB-CB 4.19Å; D192-E195 HydrophobicContact CB-CG 3.69Å; D192-E195 PolarHBondContact O-N 2.98Å; R193-E195 VanDerWaalsContact C-N 3.3Å; E195-Y197 HydrophobicContact CB-CD2 4.35Å; E195-Y197 HydrophobicContact CB-CE2 3.73Å; E195-Y197 WeakPolarHBondContact O-CD2 3.45Å
196	S	90.8	Very high	94.6	Very high	9 Å²	9	42.7 Å²	42.7	6%	0.063	22%	0.222	C	C	.	.			trans	-81.7	130.8	169.6	-61.4	0	0	0	0	110.6	K170 Q171 S222 N224	K170-S196 WeakPolarHBondContact CA-O 3.35Å; Q171-S196 PolarHBondContact N-O 2.96Å; S196-S222 WeakPolarHBondContact CB-O 3.41Å; S196-S222 PolarHBondContact OG-O 3.47Å; S196-N224 VanDerWaalsContact OG-CG 3.25Å; S196-N224 PolarHBondContact OG-N 3.21Å; S196-N224 PolarHBondContact OG-OD1 3.31Å
197	Y	94.5	Very high	94.4	Very high	6 Å²	6	46.1 Å²	46.1	2%	0.024	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	140.8	175	-75.2	-94.9	0	0	0	111.4	Y168 W169 K170 L191 D192 E195 F199 C221 S222	Y168-Y197 HydrophobicContact CD2-CD1 4.05Å; Y168-Y197 HydrophobicContact CD2-CE1 4.43Å; W169-Y197 CarbonylContact O-C 3.47Å; W169-Y197 WeakPolarHBondContact O-CA 3.35Å; K170-Y197 HydrophobicContact CB-CE1 4.46Å; K170-Y197 VanDerWaalsContact CE-OH 3.24Å; K170-Y197 WeakPolarHBondContact CE-OH 3.27Å; K170-Y197 HydrophobicContact CG-CD1 4.18Å; K170-Y197 HydrophobicContact CG-CE1 3.5Å; K170-Y197 VanDerWaalsContact CG-CE1 3.5Å; K170-Y197 HydrophobicContact CG-CE2 4.34Å; L191-Y197 HydrophobicContact CB-CD2 4.22Å; L191-Y197 HydrophobicContact CB-CE2 3.75Å; L191-Y197 HydrophobicContact CD1-CD2 4.19Å; L191-Y197 HydrophobicContact CD1-CG 4.42Å; L191-Y197 HydrophobicContact CD2-CD1 3.92Å; L191-Y197 HydrophobicContact CD2-CD2 4.19Å; L191-Y197 HydrophobicContact CD2-CE1 3.73Å; L191-Y197 HydrophobicContact CD2-CE2 4.03Å; L191-Y197 HydrophobicContact CD2-CG 4.14Å; L191-Y197 HydrophobicContact CG-CD2 4.44Å; L191-Y197 HydrophobicContact CG-CE2 4.32Å; D192-Y197 WeakPolarHBondContact CB-OH 3.41Å; D192-Y197 PolarHBondContact N-OH 2.75Å; D192-Y197 VanDerWaalsContact N-OH 3.17Å; D192-Y197 PolarHBondContact OD2-OH 3.01Å; E195-Y197 HydrophobicContact CB-CD2 4.35Å; E195-Y197 HydrophobicContact CB-CE2 3.73Å; E195-Y197 WeakPolarHBondContact O-CD2 3.45Å; Y197-F199 WeakPolarHBondContact O-CE2 3.36Å; Y197-C221 CarbonylContact O-C 3.59Å; Y197-C221 WeakPolarHBondContact O-CA 3.48Å; Y197-S222 PolarHBondContact N-OG 3.31Å; Y197-S222 PolarHBondContact O-N 2.92Å; Y197-S222 PolarHBondContact O-OG 2.84Å
198	C	95.7	Very high	94.3	Very high	6 Å²	6	41 Å²	41	4%	0.041	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	144.5	171.7	-63.4	0	0	0	0	110.2	Y168 W169 T219 K220 C221	Y168-C198 CarbonylContact C-O 3.6Å; Y168-C198 WeakPolarHBondContact CA-O 3.48Å; Y168-C198 WeakPolarHBondContact CB-O 3.19Å; W169-C198 HydrophobicContact CD2-CB 4.09Å; W169-C198 VanDerWaalsContact CE2-CB 3.49Å; W169-C198 HydrophobicContact CH2-CB 4.23Å; W169-C198 HydrophobicContact CZ2-CB 3.59Å; W169-C198 PolarHBondContact N-O 3.19Å; W169-C198 PolarHBondContact O-N 3.17Å; C198-T219 HydrophobicContact CB-CG2 3.82Å; C198-K220 WeakPolarHBondContact CA-O 3.31Å; C198-C221 HydrophobicContact CB-CB 4.05Å; C198-C221 WeakPolarHBondContact CB-SG 3.27Å; C198-C221 WeakPolarHBondContact SG-CB 3.42Å; C198-C221 CovalentContact SG-SG 2.04Å; C198-C221 PolarHBondContact SG-SG 3.01Å
199	F	97.3	Very high	94	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	141.3	-173.1	-56.5	-93.7	0	0	0	110.5	F123 V134 L136 V166 S167 Y168 I188 L191 Y197 T219 K220	F123-F199 HydrophobicContact CE2-CB 3.98Å; F123-F199 HydrophobicContact CZ-CB 3.88Å; V134-F199 HydrophobicContact CB-CZ 4.04Å; V134-F199 HydrophobicContact CG1-CE2 4.02Å; V134-F199 HydrophobicContact CG1-CZ 3.85Å; V134-F199 HydrophobicContact CG2-CZ 4.27Å; L136-F199 HydrophobicContact CD1-CB 4.48Å; L136-F199 HydrophobicContact CD1-CD1 3.8Å; L136-F199 HydrophobicContact CD1-CE1 4.4Å; L136-F199 HydrophobicContact CD1-CG 4.3Å; L136-F199 HydrophobicContact CD2-CB 4.39Å; L136-F199 HydrophobicContact CD2-CD1 3.98Å; L136-F199 HydrophobicContact CD2-CD2 4.16Å; L136-F199 HydrophobicContact CD2-CE1 4.31Å; L136-F199 HydrophobicContact CD2-CE2 4.48Å; L136-F199 HydrophobicContact CD2-CG 3.91Å; L136-F199 HydrophobicContact CG-CD1 4.45Å; V166-F199 HydrophobicContact CG1-CD1 4.24Å; S167-F199 CarbonylContact O-C 3.58Å; S167-F199 WeakPolarHBondContact O-CA 3.05Å; Y168-F199 VanDerWaalsContact CB-CD1 3.43Å; Y168-F199 HydrophobicContact CD2-CE1 4.37Å; Y168-F199 HydrophobicContact CG-CD1 4.26Å; Y168-F199 HydrophobicContact CG-CE1 4.14Å; I188-F199 HydrophobicContact CG1-CE1 4.18Å; L191-F199 HydrophobicContact CD1-CZ 4.44Å; Y197-F199 WeakPolarHBondContact O-CE2 3.36Å; F199-T219 WeakPolarHBondContact O-CA 3.1Å; F199-K220 PolarHBondContact N-O 3.4Å; F199-K220 PolarHBondContact O-N 3.23Å; F199-K220 VanDerWaalsContact O-N 3.14Å
200	K	97.3	Very high	93.8	Very high	69 Å²	69	48.8 Å²	48.8	30%	0.3	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	140.6	163.9	-82.6	-178.9	-177.3	-173.3	0	109.1	V166 S167 W169 L216 S217 T219	V166-K200 WeakPolarHBondContact CA-O 3.27Å; S167-K200 PolarHBondContact N-O 2.93Å; S167-K200 PolarHBondContact O-N 3.16Å; W169-K200 HydrophobicContact CH2-CB 4.49Å; W169-K200 HydrophobicContact CH2-CD 4.03Å; W169-K200 HydrophobicContact CH2-CG 3.9Å; W169-K200 HydrophobicContact CZ3-CB 4.32Å; W169-K200 HydrophobicContact CZ3-CD 4.41Å; W169-K200 HydrophobicContact CZ3-CG 4.22Å; K200-L216 HydrophobicContact CB-CD2 4.19Å; K200-L216 HydrophobicContact CD-CD2 4.34Å; K200-S217 WeakPolarHBondContact CA-OG 3.49Å; K200-T219 WeakPolarHBondContact CE-OG1 3.38Å
201	I	98.2	Very high	93.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	139	-176.9	-50.6	-176.9	0	0	0	108.2	P121 F123 L136 V138 Y164 K165 V166 S217	P121-I201 HydrophobicContact CG-CG2 4.4Å; F123-I201 HydrophobicContact CB-CD1 3.76Å; F123-I201 HydrophobicContact CD1-CB 4.47Å; F123-I201 HydrophobicContact CD1-CD1 3.66Å; F123-I201 HydrophobicContact CD1-CG1 4Å; F123-I201 HydrophobicContact CD2-CD1 3.71Å; F123-I201 HydrophobicContact CE1-CD1 4.14Å; F123-I201 HydrophobicContact CE1-CG1 4.1Å; F123-I201 HydrophobicContact CE2-CD1 4.18Å; F123-I201 HydrophobicContact CG-CD1 3.42Å; F123-I201 VanDerWaalsContact CG-CD1 3.42Å; F123-I201 HydrophobicContact CG-CG1 4.26Å; F123-I201 HydrophobicContact CZ-CD1 4.37Å; F123-I201 HydrophobicContact CZ-CG1 4.41Å; L136-I201 HydrophobicContact CB-CD1 4.18Å; L136-I201 HydrophobicContact CD1-CD1 3.9Å; L136-I201 HydrophobicContact CD1-CG1 4.48Å; V138-I201 HydrophobicContact CG2-CD1 3.64Å; V138-I201 HydrophobicContact CG2-CG2 4.28Å; Y164-I201 HydrophobicContact CD1-CG2 3.64Å; Y164-I201 HydrophobicContact CG-CG2 4.06Å; K165-I201 WeakPolarHBondContact O-CA 3.41Å; V166-I201 HydrophobicContact CG2-CG1 4.23Å; V166-I201 HydrophobicContact CG2-CG2 4.41Å; I201-S217 PolarHBondContact N-OG 2.58Å; I201-S217 VanDerWaalsContact O-CB 3.24Å; I201-S217 WeakPolarHBondContact O-CB 3.48Å; I201-S217 PolarHBondContact O-N 3.5Å; I201-S217 PolarHBondContact O-OG 2.95Å
202	Q	97.8	Very high	94	Very high	24 Å²	24	48.1 Å²	48.1	11%	0.112	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	145.9	167.1	63.1	-173.7	51.8	0	0	109.4	K165 F213 L216	K165-Q202 HydrophobicContact CB-CG 3.96Å; K165-Q202 HydrophobicContact CD-CG 4.46Å; K165-Q202 PolarHBondContact N-O 2.88Å; K165-Q202 PolarHBondContact O-N 3.03Å; Q202-F213 VanDerWaalsContact NE2-CB 3.33Å; Q202-L216 HydrophobicContact CB-CD2 4.15Å; Q202-L216 HydrophobicContact CG-CD2 4.36Å; Q202-L216 VanDerWaalsContact OE1-CG 3.3Å
203	A	98.3	Very high	94.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	144.4	169.2	0	0	0	0	0	109.8	I118 I154 L162 Q163 Y164 F213 G214	I118-A203 HydrophobicContact CB-CB 4.21Å; I118-A203 HydrophobicContact CG2-CB 3.54Å; I154-A203 HydrophobicContact CD1-CB 4.15Å; L162-A203 HydrophobicContact CD1-CB 3.87Å; Q163-A203 CarbonylContact O-C 3.59Å; Y164-A203 HydrophobicContact CE1-CB 4.24Å; A203-F213 WeakPolarHBondContact O-CA 3.49Å; A203-G214 PolarHBondContact O-N 2.87Å
204	H	98.3	Very high	94.8	Very high	28 Å²	28	41.1 Å²	41.1	13%	0.13	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	122.5	178.4	178.7	-142.3	0	0	0	108.4	Q163 K165 Q212 F213	Q163-H204 WeakPolarHBondContact CA-O 3.2Å; Q163-H204 HydrophobicContact CB-CB 4.34Å; Q163-H204 WeakPolarHBondContact CB-O 3.34Å; Q163-H204 PolarHBondContact N-O 2.59Å; Q163-H204 PolarHBondContact O-N 3.1Å; K165-H204 HydrophobicContact CB-CB 4.39Å; H204-Q212 CarbonylContact C-O 3.51Å; H204-Q212 VanDerWaalsContact CA-O 3.28Å; H204-Q212 WeakPolarHBondContact CA-O 3.29Å; H204-F213 HydrophobicContact CB-CD1 4.06Å; H204-F213 HydrophobicContact CB-CE1 4.13Å; H204-F213 AromaticContact CD2-CD1 3.47Å; H204-F213 VanDerWaalsContact CD2-CD1 3.47Å; H204-F213 WeakPolarHBondContact CD2-CD1 3.31Å; H204-F213 AromaticContact CD2-CE1 3.08Å; H204-F213 WeakPolarHBondContact CD2-CE1 3.39Å; H204-F213 AromaticContact CD2-CZ 3.71Å; H204-F213 AromaticContact CG-CD1 3.93Å; H204-F213 AromaticContact CG-CE1 3.58Å; H204-F213 AromaticContact NE2-CE1 3.49Å; H204-F213 WeakPolarHBondContact NE2-CE1 3.47Å; H204-F213 AromaticContact NE2-CZ 3.68Å
205	I	98.1	Very high	95.6	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.229	C	C	.	.			trans	-120.3	89.6	178.4	-56.5	167	0	0	0	106.5	I118 F158 E161 L162 S207 R208 Q212	I118-I205 HydrophobicContact CD1-CD1 4.04Å; I118-I205 HydrophobicContact CG1-CD1 3.84Å; F158-I205 HydrophobicContact CD1-CD1 3.85Å; F158-I205 HydrophobicContact CD1-CG2 4.3Å; F158-I205 HydrophobicContact CD2-CD1 3.67Å; F158-I205 HydrophobicContact CE1-CD1 3.87Å; F158-I205 HydrophobicContact CE2-CD1 3.7Å; F158-I205 HydrophobicContact CG-CD1 3.78Å; F158-I205 HydrophobicContact CG-CG1 4.41Å; F158-I205 HydrophobicContact CZ-CD1 3.82Å; E161-I205 HydrophobicContact CB-CG2 4.3Å; L162-I205 HydrophobicContact CD1-CG1 4.19Å; I205-S207 WeakPolarHBondContact CG2-OG 3.36Å; I205-S207 PolarHBondContact O-N 3.26Å; I205-S207 VanDerWaalsContact O-N 3.16Å; I205-R208 HydrophobicContact CB-CG 4.25Å; I205-R208 HydrophobicContact CG2-CG 3.82Å; I205-R208 PolarHBondContact O-N 2.81Å; I205-Q212 PolarHBondContact N-O 3.09Å
206	P	96.4	Very high	96	Very high	56 Å²	56	42.5 Å²	42.5	36%	0.364	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-23.9	-170.9	-18.4	27.7	0	0	0	114.1	E161 Q163 R208	E161-P206 VanDerWaalsContact O-CD 3.3Å; E161-P206 WeakPolarHBondContact O-CD 3.47Å; Q163-P206 HydrophobicContact CG-CG 4.47Å; P206-R208 VanDerWaalsContact C-N 3.25Å; P206-R208 PolarHBondContact O-N 3.08Å
207	S	93.9	Very high	96.4	Very high	72 Å²	72	42.2 Å²	42.2	50%	0.503	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-18.3	-178.7	58.1	0	0	0	0	113.8	E161 I205	E161-S207 WeakPolarHBondContact OE2-CB 3.39Å; E161-S207 PolarHBondContact OE2-OG 3.1Å; I205-S207 WeakPolarHBondContact CG2-OG 3.36Å; I205-S207 PolarHBondContact O-N 3.26Å; I205-S207 VanDerWaalsContact O-N 3.16Å
208	R	95.6	Very high	96.5	Very high	9 Å²	9	47.9 Å²	47.9	3%	0.034	25%	0.253	C	S	.	.			trans	-77.5	151.1	176.5	-66.4	178.5	168.6	-168.7	-11.8	110.8	Y113 R114 T116 I205 P206 E210 N211 Q212	Y113-R208 VanDerWaalsContact O-CZ 3.26Å; Y113-R208 PolarHBondContact O-NE 3.11Å; Y113-R208 PolarHBondContact O-NH2 2.85Å; R114-R208 WeakPolarHBondContact O-CD 2.99Å; R114-R208 PolarHBondContact O-NE 3.05Å; T116-R208 PolarHBondContact O-NH1 2.64Å; T116-R208 PolarHBondContact O-NH2 3.39Å; I205-R208 HydrophobicContact CB-CG 4.25Å; I205-R208 HydrophobicContact CG2-CG 3.82Å; I205-R208 PolarHBondContact O-N 2.81Å; P206-R208 VanDerWaalsContact C-N 3.25Å; P206-R208 PolarHBondContact O-N 3.08Å; R208-E210 VanDerWaalsContact CB-O 3.27Å; R208-E210 WeakPolarHBondContact CB-O 2.98Å; R208-N211 WeakPolarHBondContact CD-O 3.14Å; R208-N211 PolarHBondContact NH1-O 3.32Å; R208-Q212 HydrophobicContact CB-CG 4.07Å; R208-Q212 VanDerWaalsContact O-CD 3.31Å; R208-Q212 WeakPolarHBondContact O-CG 3.43Å; R208-Q212 PolarHBondContact O-NE2 2.86Å
209	S	91.6	Very high	96.5	Very high	104 Å²	104	50.5 Å²	50.5	73%	0.727	27%	0.269	S	S	*	.	S	Bend	trans	-89	-30.8	169.9	53.2	0	0	0	0	112.8
210	E	90.3	Very high	96.4	Very high	128 Å²	128	53.7 Å²	53.7	60%	0.598	28%	0.283	S	S	*	.	S	Bend	trans	-127.6	158.2	178.9	-63.1	179.5	-175.4	0	0	108.7	R208 Q212	R208-E210 VanDerWaalsContact CB-O 3.27Å; R208-E210 WeakPolarHBondContact CB-O 2.98Å; E210-Q212 PolarHBondContact O-N 3.35Å
211	N	94.6	Very high	96.2	Very high	66 Å²	66	52.1 Å²	52.1	35%	0.353	28%	0.28	S	S	.	.	S	Bend	trans	50.4	35.8	-179.2	-60.2	-23.5	0	0	0	113.1	E115 R208 F213	E115-N211 PolarHBondContact O-ND2 2.92Å; R208-N211 WeakPolarHBondContact CD-O 3.14Å; R208-N211 PolarHBondContact NH1-O 3.32Å; N211-F213 PolarHBondContact O-N 3.02Å
212	Q	97.3	Very high	95.8	Very high	64 Å²	64	52.5 Å²	52.5	30%	0.299	28%	0.283	S	S	.	.			trans	-61.4	-32.4	175	-74.7	179.4	-14.6	0	0	111.6	H204 I205 R208 E210	H204-Q212 CarbonylContact C-O 3.51Å; H204-Q212 VanDerWaalsContact CA-O 3.28Å; H204-Q212 WeakPolarHBondContact CA-O 3.29Å; I205-Q212 PolarHBondContact N-O 3.09Å; R208-Q212 HydrophobicContact CB-CG 4.07Å; R208-Q212 VanDerWaalsContact O-CD 3.31Å; R208-Q212 WeakPolarHBondContact O-CG 3.43Å; R208-Q212 PolarHBondContact O-NE2 2.86Å; E210-Q212 PolarHBondContact O-N 3.35Å
213	F	97.8	Very high	94.7	Very high	87 Å²	87	59 Å²	59	38%	0.382	31%	0.313	S	S	.	.	B	Isolated β-bridge	trans	-110	132	-177.9	-62.6	-66.9	0	0	0	110.5	K165 Q202 A203 H204 N211	K165-F213 HydrophobicContact CD-CD1 4.35Å; K165-F213 HydrophobicContact CD-CE1 3.83Å; Q202-F213 VanDerWaalsContact NE2-CB 3.33Å; A203-F213 WeakPolarHBondContact O-CA 3.49Å; H204-F213 HydrophobicContact CB-CD1 4.06Å; H204-F213 HydrophobicContact CB-CE1 4.13Å; H204-F213 AromaticContact CD2-CD1 3.47Å; H204-F213 VanDerWaalsContact CD2-CD1 3.47Å; H204-F213 WeakPolarHBondContact CD2-CD1 3.31Å; H204-F213 AromaticContact CD2-CE1 3.08Å; H204-F213 WeakPolarHBondContact CD2-CE1 3.39Å; H204-F213 AromaticContact CD2-CZ 3.71Å; H204-F213 AromaticContact CG-CD1 3.93Å; H204-F213 AromaticContact CG-CE1 3.58Å; H204-F213 AromaticContact NE2-CE1 3.49Å; H204-F213 WeakPolarHBondContact NE2-CE1 3.47Å; H204-F213 AromaticContact NE2-CZ 3.68Å; N211-F213 PolarHBondContact O-N 3.02Å
214	G	97.6	Very high	92.6	Very high	11 Å²	11	62.9 Å²	62.9	11%	0.113	33%	0.334	C	S	.	.			trans	-76.7	179.4	168.8	0	0	0	0	0	112.8	I118 A203	I118-G214 CarbonylContact O-C 3.43Å; I118-G214 VanDerWaalsContact O-CA 3.22Å; I118-G214 WeakPolarHBondContact O-CA 3.35Å; A203-G214 PolarHBondContact O-N 2.87Å
215	Q	98	Very high	90.1	Very high	85 Å²	85	67.3 Å²	67.3	40%	0.397	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-64.8	143.2	173.5	-62.6	176.7	-2.6	0	0	111.1	I118 R120 P121	I118-Q215 PolarHBondContact O-N 3.23Å; R120-Q215 HydrophobicContact CB-CB 4.19Å; P121-Q215 WeakPolarHBondContact CD-O 3.22Å
216	L	97.8	Very high	87.5	Confident	68 Å²	68	75.5 Å²	75.5	36%	0.356	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-67.9	136.6	176.2	-81.2	161.8	0	0	0	111.7	R120 K200 Q202	R120-L216 WeakPolarHBondContact CD-O 3.44Å; R120-L216 VanDerWaalsContact CG-O 3.28Å; R120-L216 WeakPolarHBondContact CG-O 3.29Å; R120-L216 PolarHBondContact NE-O 3.12Å; K200-L216 HydrophobicContact CB-CD2 4.19Å; K200-L216 HydrophobicContact CD-CD2 4.34Å; Q202-L216 HydrophobicContact CB-CD2 4.15Å; Q202-L216 HydrophobicContact CG-CD2 4.36Å; Q202-L216 VanDerWaalsContact OE1-CG 3.3Å
217	S	98.1	Very high	85.1	Confident	4 Å²	4	76.4 Å²	76.4	3%	0.028	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-57.3	164	167.1	77.1	0	0	0	0	112.1	P121 F123 K200 I201	P121-S217 VanDerWaalsContact O-CB 3.24Å; P121-S217 WeakPolarHBondContact O-CB 3.36Å; F123-S217 WeakPolarHBondContact CE1-OG 3.14Å; K200-S217 WeakPolarHBondContact CA-OG 3.49Å; I201-S217 PolarHBondContact N-OG 2.58Å; I201-S217 VanDerWaalsContact O-CB 3.24Å; I201-S217 WeakPolarHBondContact O-CB 3.48Å; I201-S217 PolarHBondContact O-N 3.5Å; I201-S217 PolarHBondContact O-OG 2.95Å
218	E	96.2	Very high	82.9	Confident	125 Å²	125	77.3 Å²	77.3	58%	0.584	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-61	150.8	159	-67.2	-174.2	163.3	0	0	110.2	F123 K220	F123-E218 WeakPolarHBondContact CE1-O 3.24Å; E218-K220 PolarHBondContact O-N 3.35Å
219	T	95.7	Very high	80.7	Confident	61 Å²	61	81.7 Å²	81.7	37%	0.374	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-72.1	127.6	170.4	-52.4	0	0	0	0	108.5	W169 C198 F199 K200	W169-T219 HydrophobicContact CH2-CG2 3.72Å; W169-T219 HydrophobicContact CZ2-CG2 3.64Å; C198-T219 HydrophobicContact CB-CG2 3.82Å; F199-T219 WeakPolarHBondContact O-CA 3.1Å; K200-T219 WeakPolarHBondContact CE-OG1 3.38Å
220	K	94.9	Very high	78.7	Confident	67 Å²	67	83 Å²	83	29%	0.291	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	140.9	164.2	-59.7	-172	175.8	-171.4	0	109.4	F123 N124 L125 C198 F199 E218	F123-K220 HydrophobicContact CE1-CB 4.35Å; F123-K220 HydrophobicContact CE1-CD 4.38Å; F123-K220 HydrophobicContact CE1-CG 4.15Å; F123-K220 HydrophobicContact CE2-CB 3.87Å; F123-K220 HydrophobicContact CE2-CD 4.29Å; F123-K220 HydrophobicContact CE2-CG 4.34Å; F123-K220 HydrophobicContact CZ-CB 3.57Å; F123-K220 HydrophobicContact CZ-CD 4.2Å; F123-K220 HydrophobicContact CZ-CG 3.87Å; F123-K220 WeakPolarHBondContact O-CD 3.43Å; F123-K220 WeakPolarHBondContact O-CE 3.24Å; F123-K220 PolarHBondContact O-NZ 2.72Å; N124-K220 PolarHBondContact OD1-NZ 3.29Å; N124-K220 VanDerWaalsContact OD1-NZ 3.16Å; L125-K220 HydrophobicContact CD2-CB 3.83Å; C198-K220 WeakPolarHBondContact CA-O 3.31Å; F199-K220 PolarHBondContact N-O 3.4Å; F199-K220 PolarHBondContact O-N 3.23Å; F199-K220 VanDerWaalsContact O-N 3.14Å; E218-K220 PolarHBondContact O-N 3.35Å
221	C	93.8	Very high	76.7	Confident	36 Å²	36	84.2 Å²	84.2	24%	0.243	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	140.8	179.9	-49.9	0	0	0	0	110	L125 Y197 C198 H223	L125-C221 VanDerWaalsContact CD2-C 3.49Å; L125-C221 WeakPolarHBondContact CD2-O 3.28Å; Y197-C221 CarbonylContact O-C 3.59Å; Y197-C221 WeakPolarHBondContact O-CA 3.48Å; C198-C221 HydrophobicContact CB-CB 4.05Å; C198-C221 WeakPolarHBondContact CB-SG 3.27Å; C198-C221 WeakPolarHBondContact SG-CB 3.42Å; C198-C221 CovalentContact SG-SG 2.04Å; C198-C221 PolarHBondContact SG-SG 3.01Å; C221-H223 PolarHBondContact O-N 2.89Å; C221-H223 VanDerWaalsContact O-N 3.08Å
222	S	89.9	Confident	74.8	Confident	7 Å²	7	85.5 Å²	85.5	5%	0.049	44%	0.439	C	S	.	.			trans	-60.2	113.2	162	60.4	0	0	0	0	106.2	S196 Y197 N224	S196-S222 WeakPolarHBondContact CB-O 3.41Å; S196-S222 PolarHBondContact OG-O 3.47Å; Y197-S222 PolarHBondContact N-OG 3.31Å; Y197-S222 PolarHBondContact O-N 2.92Å; Y197-S222 PolarHBondContact O-OG 2.84Å; S222-N224 PolarHBondContact O-N 2.89Å
223	H	75.6	Confident	73.2	Confident	162 Å²	162	88.2 Å²	88.2	75%	0.75	45%	0.447	S	S	*	.			trans	-58.6	137.7	170.6	-79.6	-82.1	0	0	0	107.8	C221 D225	C221-H223 PolarHBondContact O-N 2.89Å; C221-H223 VanDerWaalsContact O-N 3.08Å; H223-D225 PolarHBondContact O-N 3.32Å
224	N	53.8	Low	71.8	Confident	80 Å²	80	87.4 Å²	87.4	43%	0.428	45%	0.453	S	S	.	.			trans	-59.6	126.2	149.4	-100	-6.3	0	0	0	104.3	S196 S222 E226	S196-N224 VanDerWaalsContact OG-CG 3.25Å; S196-N224 PolarHBondContact OG-N 3.21Å; S196-N224 PolarHBondContact OG-OD1 3.31Å; S222-N224 PolarHBondContact O-N 2.89Å; N224-E226 PolarHBondContact O-N 2.81Å
225	D	44.1	Very low	70.8	Confident	122 Å²	122	92 Å²	92	65%	0.652	48%	0.481	S	S	*	.			trans	-61.2	70.2	158.1	-64.1	-47.2	0	0	0	108.1	H223 E227	H223-D225 PolarHBondContact O-N 3.32Å; D225-E227 HydrophobicContact CB-CG 4.15Å; D225-E227 PolarHBondContact O-N 3.47Å; D225-E227 VanDerWaalsContact O-N 3.12Å
226	E	45	Very low	69.7	Low	172 Å²	172	91.3 Å²	91.3	80%	0.804	49%	0.49	S	S	*	.			trans	-73.6	74.4	136.8	-68.2	-168	-167.1	0	0	104.3	N224	N224-E226 PolarHBondContact O-N 2.81Å
227	E	45.7	Very low	68.9	Low	74 Å²	74	92 Å²	92	35%	0.346	50%	0.496	S	S	.	.			trans	-48.1	132.7	162.5	-69.1	-158.4	133.1	0	0	106.2	D225 V229 K231 V232	D225-E227 HydrophobicContact CB-CG 4.15Å; D225-E227 PolarHBondContact O-N 3.47Å; D225-E227 VanDerWaalsContact O-N 3.12Å; E227-V229 PolarHBondContact O-N 2.95Å; E227-K231 HydrophobicContact CB-CB 4.25Å; E227-K231 IonicContact OE1-NZ 3.73Å; E227-V232 HydrophobicContact CB-CG2 4.16Å
228	P	47.5	Very low	68.1	Low	91 Å²	91	94.6 Å²	94.6	59%	0.591	51%	0.509	S	S	*	.			trans	-51.3	125.3	171.1	21.8	-30.8	0	0	0	105.9	L230 K231	P228-L230 CarbonylContact O-C 3.57Å; P228-L230 WeakPolarHBondContact O-CA 3.41Å; P228-L230 PolarHBondContact O-N 2.92Å; P228-K231 PolarHBondContact O-N 2.8Å
229	V	48.8	Very low	67.6	Low	102 Å²	102	91.4 Å²	91.4	62%	0.618	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-44.7	-23.5	-169.4	-154.7	0	0	0	0	113.4	E227 K231 V232 Y233	E227-V229 PolarHBondContact O-N 2.95Å; V229-K231 VanDerWaalsContact C-N 3.26Å; V229-K231 PolarHBondContact O-N 2.03Å; V229-V232 PolarHBondContact O-N 2.79Å; V229-Y233 HydrophobicContact CG1-CD2 4.16Å; V229-Y233 HydrophobicContact CG1-CE2 3.77Å; V229-Y233 WeakPolarHBondContact O-CD2 3.3Å
230	L	50.8	Low	67.3	Low	132 Å²	132	90.3 Å²	90.3	69%	0.691	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-58.4	-21.6	171.9	-59.2	176.6	0	0	0	116.1	P228 I238	P228-L230 CarbonylContact O-C 3.57Å; P228-L230 WeakPolarHBondContact O-CA 3.41Å; P228-L230 PolarHBondContact O-N 2.92Å; L230-I238 HydrophobicContact CD2-CD1 4.29Å
231	K	47.9	Very low	66.9	Low	152 Å²	152	88.8 Å²	88.8	66%	0.661	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-94.4	-21.5	-179.5	-131.2	-176.3	173.7	-161.8	0	113.3	E227 P228 V229	E227-K231 HydrophobicContact CB-CB 4.25Å; E227-K231 IonicContact OE1-NZ 3.73Å; P228-K231 PolarHBondContact O-N 2.8Å; V229-K231 VanDerWaalsContact C-N 3.26Å; V229-K231 PolarHBondContact O-N 2.03Å
232	V	53.9	Low	66.8	Low	93 Å²	93	91.8 Å²	91.8	56%	0.564	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-25.6	179.7	-177.1	0	0	0	0	111.9	E227 V229	E227-V232 HydrophobicContact CB-CG2 4.16Å; V229-V232 PolarHBondContact O-N 2.79Å
233	Y	63.3	Low	66.8	Low	121 Å²	121	96.5 Å²	96.5	48%	0.475	55%	0.545	S	S	.	.	S	Bend	trans	-107.2	130.2	-179.5	-66.4	-69.2	0	0	0	111.5	V229 V237	V229-Y233 HydrophobicContact CG1-CD2 4.16Å; V229-Y233 HydrophobicContact CG1-CE2 3.77Å; V229-Y233 WeakPolarHBondContact O-CD2 3.3Å; Y233-V237 HydrophobicContact CD1-CB 4.26Å; Y233-V237 HydrophobicContact CD1-CG1 3.69Å; Y233-V237 HydrophobicContact CE1-CG1 4.37Å; Y233-V237 HydrophobicContact CG-CG1 4.26Å
234	S	70.2	Confident	67.6	Low	71 Å²	71	95.5 Å²	95.5	50%	0.497	54%	0.539	S	S	.	.			trans	-55.5	146	169.6	174	0	0	0	0	110	A236 V237 I238	S234-A236 PolarHBondContact O-N 2.71Å; S234-V237 PolarHBondContact O-N 3.22Å; S234-I238 PolarHBondContact O-N 2.84Å
235	P	75.8	Confident	69.4	Low	107 Å²	107	96.8 Å²	96.8	70%	0.695	55%	0.545	S	S	*	.	H	α-helix	trans	-48.6	-29.6	176.2	-29.1	34.8	0	0	0	113.8	A239	P235-A239 WeakPolarHBondContact O-CB 3.28Å; P235-A239 PolarHBondContact O-N 2.87Å
236	A	74.6	Confident	71.8	Confident	71 Å²	71	96.3 Å²	96.3	59%	0.587	54%	0.542	S	S	*	.	H	α-helix	trans	-63.8	-39.3	175.5	0	0	0	0	0	113.8	S234 G240	S234-A236 PolarHBondContact O-N 2.71Å; A236-G240 PolarHBondContact O-N 2.86Å
237	V	81.2	Confident	74	Confident	82 Å²	82	93.1 Å²	93.1	50%	0.497	53%	0.529	S	S	.	.	H	α-helix	trans	-72.5	-39.5	-179.4	-179.2	0	0	0	0	110.4	Y233 S234 G240 G241	Y233-V237 HydrophobicContact CD1-CB 4.26Å; Y233-V237 HydrophobicContact CD1-CG1 3.69Å; Y233-V237 HydrophobicContact CE1-CG1 4.37Å; Y233-V237 HydrophobicContact CG-CG1 4.26Å; S234-V237 PolarHBondContact O-N 3.22Å; V237-G240 PolarHBondContact O-N 3.14Å; V237-G241 PolarHBondContact O-N 3.08Å
238	I	82.1	Confident	76.3	Confident	58 Å²	58	92.3 Å²	92.3	30%	0.297	53%	0.529	S	S	.	.	H	α-helix	trans	-64.5	-47	176.3	-58.7	174.5	0	0	0	110.1	L230 S234 G240 G241 I242	L230-I238 HydrophobicContact CD2-CD1 4.29Å; S234-I238 PolarHBondContact O-N 2.84Å; I238-G240 VanDerWaalsContact C-N 3.32Å; I238-G240 PolarHBondContact O-N 3.01Å; I238-G241 PolarHBondContact O-N 3.19Å; I238-I242 HydrophobicContact CG2-CD1 4.11Å; I238-I242 WeakPolarHBondContact O-CG1 3.31Å; I238-I242 PolarHBondContact O-N 2.02Å
239	A	84.6	Confident	78.5	Confident	59 Å²	59	91.6 Å²	91.6	49%	0.488	52%	0.524	S	S	.	.	H	α-helix	trans	-60.5	-41.1	175.6	0	0	0	0	0	112.1	P235 I242 L243	P235-A239 WeakPolarHBondContact O-CB 3.28Å; P235-A239 PolarHBondContact O-N 2.87Å; A239-I242 PolarHBondContact O-N 2.86Å; A239-L243 WeakPolarHBondContact O-CB 3.4Å; A239-L243 PolarHBondContact O-N 2.89Å
240	G	88.9	Confident	80.5	Confident	38 Å²	38	88.2 Å²	88.2	39%	0.392	51%	0.509	S	S	.	.	H	α-helix	trans	-62.2	-43.3	175.6	0	0	0	0	0	113.1	A236 V237 I238 L243 F244	A236-G240 PolarHBondContact O-N 2.86Å; V237-G240 PolarHBondContact O-N 3.14Å; I238-G240 VanDerWaalsContact C-N 3.32Å; I238-G240 PolarHBondContact O-N 3.01Å; G240-L243 PolarHBondContact O-N 2.81Å; G240-F244 WeakPolarHBondContact O-CB 3.44Å; G240-F244 PolarHBondContact O-N 2.89Å
241	G	88.4	Confident	82.5	Confident	35 Å²	35	87 Å²	87	36%	0.361	50%	0.503	S	S	.	.	H	α-helix	trans	-62.3	-44.1	176.3	0	0	0	0	0	112.8	V237 I238 F244 I245	V237-G241 PolarHBondContact O-N 3.08Å; I238-G241 PolarHBondContact O-N 3.19Å; G241-F244 PolarHBondContact O-N 2.86Å; G241-I245 WeakPolarHBondContact O-CG1 3.35Å; G241-I245 PolarHBondContact O-N 2.76Å; G241-I245 VanDerWaalsContact O-N 3.09Å
242	I	89.9	Confident	84.5	Confident	98 Å²	98	84 Å²	84	50%	0.503	49%	0.493	S	S	.	.	H	α-helix	trans	-63	-45.6	177	-66	168.1	0	0	0	110.6	I238 A239 F244 I245 L246	I238-I242 HydrophobicContact CG2-CD1 4.11Å; I238-I242 WeakPolarHBondContact O-CG1 3.31Å; I238-I242 PolarHBondContact O-N 2.02Å; A239-I242 PolarHBondContact O-N 2.86Å; I242-F244 VanDerWaalsContact C-N 3.32Å; I242-F244 PolarHBondContact O-N 2.68Å; I242-I245 PolarHBondContact O-N 2.89Å; I242-L246 HydrophobicContact CG2-CD1 4.14Å; I242-L246 WeakPolarHBondContact O-CG 3.21Å; I242-L246 PolarHBondContact O-N 2.83Å
243	L	91.1	Very high	86.2	Confident	106 Å²	106	83 Å²	83	56%	0.555	49%	0.487	S	S	*	.	H	α-helix	trans	-61	-41.9	178.5	-177	64	0	0	0	111.7	A239 G240 L246 L247	A239-L243 WeakPolarHBondContact O-CB 3.4Å; A239-L243 PolarHBondContact O-N 2.89Å; G240-L243 PolarHBondContact O-N 2.81Å; L243-L246 PolarHBondContact O-N 3.07Å; L243-L247 HydrophobicContact CG-CD1 4.36Å; L243-L247 WeakPolarHBondContact O-CG 3.42Å; L243-L247 PolarHBondContact O-N 3.09Å
244	F	91.4	Very high	87.3	Confident	141 Å²	141	80.6 Å²	80.6	62%	0.618	49%	0.485	S	S	*	.	H	α-helix	trans	-62.4	-44.2	177.9	-174.7	-100.2	0	0	0	112.1	G240 G241 I242 L246 L247 V248	G240-F244 WeakPolarHBondContact O-CB 3.44Å; G240-F244 PolarHBondContact O-N 2.89Å; G241-F244 PolarHBondContact O-N 2.86Å; I242-F244 VanDerWaalsContact C-N 3.32Å; I242-F244 PolarHBondContact O-N 2.68Å; F244-L246 VanDerWaalsContact C-N 3.34Å; F244-L246 PolarHBondContact O-N 2.8Å; F244-L247 PolarHBondContact O-N 2.9Å; F244-V248 HydrophobicContact CD1-CG2 4.22Å; F244-V248 HydrophobicContact CE1-CG2 3.86Å; F244-V248 HydrophobicContact CZ-CG2 4.02Å; F244-V248 WeakPolarHBondContact O-CG2 3.31Å; F244-V248 PolarHBondContact O-N 2.73Å
245	I	92.5	Very high	88.2	Confident	108 Å²	108	82.4 Å²	82.4	55%	0.554	49%	0.488	S	S	*	.	H	α-helix	trans	-60.7	-44.6	176.7	-67	166.7	0	0	0	110.6	G241 I242 L247 V248 V249	G241-I245 WeakPolarHBondContact O-CG1 3.35Å; G241-I245 PolarHBondContact O-N 2.76Å; G241-I245 VanDerWaalsContact O-N 3.09Å; I242-I245 PolarHBondContact O-N 2.89Å; I245-L247 VanDerWaalsContact C-N 3.33Å; I245-L247 PolarHBondContact O-N 2.97Å; I245-V248 PolarHBondContact O-N 3.2Å; I245-V249 HydrophobicContact CG2-CG2 4.37Å; I245-V249 WeakPolarHBondContact O-CG2 3.49Å; I245-V249 PolarHBondContact O-N 2.93Å
246	L	93.4	Very high	88.7	Confident	112 Å²	112	81.7 Å²	81.7	59%	0.586	48%	0.477	S	S	*	.	H	α-helix	trans	-62.5	-39.2	178.6	-68.6	174.1	0	0	0	112.3	I242 L243 F244 G250	I242-L246 HydrophobicContact CG2-CD1 4.14Å; I242-L246 WeakPolarHBondContact O-CG 3.21Å; I242-L246 PolarHBondContact O-N 2.83Å; L243-L246 PolarHBondContact O-N 3.07Å; F244-L246 VanDerWaalsContact C-N 3.34Å; F244-L246 PolarHBondContact O-N 2.8Å; L246-G250 PolarHBondContact O-N 3.01Å
247	L	93	Very high	89.3	Confident	104 Å²	104	82.9 Å²	82.9	55%	0.545	48%	0.477	S	S	.	.	H	α-helix	trans	-65.2	-42.9	175.8	-71.4	172.9	0	0	0	112	L243 F244 I245 G250 L251	L243-L247 HydrophobicContact CG-CD1 4.36Å; L243-L247 WeakPolarHBondContact O-CG 3.42Å; L243-L247 PolarHBondContact O-N 3.09Å; F244-L247 PolarHBondContact O-N 2.9Å; I245-L247 VanDerWaalsContact C-N 3.33Å; I245-L247 PolarHBondContact O-N 2.97Å; L247-G250 PolarHBondContact O-N 2.84Å; L247-L251 WeakPolarHBondContact O-CG 3.47Å; L247-L251 PolarHBondContact O-N 3.3Å
248	V	93.6	Very high	89.5	Confident	57 Å²	57	83.3 Å²	83.3	35%	0.345	48%	0.476	S	S	.	.	H	α-helix	trans	-64.6	-45.3	178.1	173.4	0	0	0	0	110.9	F244 I245 G250 L251 I252	F244-V248 HydrophobicContact CD1-CG2 4.22Å; F244-V248 HydrophobicContact CE1-CG2 3.86Å; F244-V248 HydrophobicContact CZ-CG2 4.02Å; F244-V248 WeakPolarHBondContact O-CG2 3.31Å; F244-V248 PolarHBondContact O-N 2.73Å; I245-V248 PolarHBondContact O-N 3.2Å; V248-G250 VanDerWaalsContact C-N 3.34Å; V248-G250 PolarHBondContact O-N 3.42Å; V248-L251 PolarHBondContact O-N 3.08Å; V248-I252 HydrophobicContact CG1-CD1 3.8Å; V248-I252 HydrophobicContact CG1-CG1 4.49Å; V248-I252 VanDerWaalsContact O-CG1 3.29Å; V248-I252 WeakPolarHBondContact O-CG1 3.36Å; V248-I252 PolarHBondContact O-N 2.89Å
249	V	93	Very high	89.5	Confident	77 Å²	77	87.1 Å²	87.1	47%	0.467	49%	0.487	S	S	.	.	H	α-helix	trans	-62.7	-42.2	175.8	174.3	0	0	0	0	110.7	I245 L251 I252 T253	I245-V249 HydrophobicContact CG2-CG2 4.37Å; I245-V249 WeakPolarHBondContact O-CG2 3.49Å; I245-V249 PolarHBondContact O-N 2.93Å; V249-L251 PolarHBondContact O-N 3.2Å; V249-I252 PolarHBondContact O-N 3.45Å; V249-T253 HydrophobicContact CG1-CG2 4.29Å; V249-T253 VanDerWaalsContact O-CG2 3.3Å; V249-T253 WeakPolarHBondContact O-CG2 3.4Å; V249-T253 PolarHBondContact O-N 2.88Å; V249-T253 PolarHBondContact O-OG1 2.86Å; V249-T253 VanDerWaalsContact O-OG1 3.13Å
250	G	91.6	Very high	89.2	Confident	30 Å²	30	88 Å²	88	31%	0.309	49%	0.489	S	S	.	.	H	α-helix	trans	-57.9	-45.1	174	0	0	0	0	0	112.9	L246 L247 V248 T253 T254	L246-G250 PolarHBondContact O-N 3.01Å; L247-G250 PolarHBondContact O-N 2.84Å; V248-G250 VanDerWaalsContact C-N 3.34Å; V248-G250 PolarHBondContact O-N 3.42Å; G250-T253 WeakPolarHBondContact CA-OG1 3.33Å; G250-T253 PolarHBondContact O-N 3.22Å; G250-T253 PolarHBondContact O-OG1 2.88Å; G250-T254 WeakPolarHBondContact O-CG2 3.28Å; G250-T254 PolarHBondContact O-N 2.8Å; G250-T254 PolarHBondContact O-OG1 3.05Å
251	L	91.3	Very high	88.4	Confident	108 Å²	108	88.8 Å²	88.8	57%	0.565	49%	0.489	S	S	*	.	H	α-helix	trans	-64.2	-42.9	175.7	-75	166.6	0	0	0	112.2	L247 V248 V249 T254 I255	L247-L251 WeakPolarHBondContact O-CG 3.47Å; L247-L251 PolarHBondContact O-N 3.3Å; V248-L251 PolarHBondContact O-N 3.08Å; V249-L251 PolarHBondContact O-N 3.2Å; L251-T254 WeakPolarHBondContact CA-OG1 3.49Å; L251-T254 PolarHBondContact O-N 2.89Å; L251-T254 PolarHBondContact O-OG1 3.02Å; L251-I255 WeakPolarHBondContact O-CB 3.44Å; L251-I255 WeakPolarHBondContact O-CD1 3.4Å; L251-I255 VanDerWaalsContact O-CG1 3.23Å; L251-I255 WeakPolarHBondContact O-CG1 3.22Å; L251-I255 PolarHBondContact O-N 2.88Å
252	I	91.1	Very high	87.4	Confident	88 Å²	88	93 Å²	93	45%	0.451	50%	0.499	S	S	.	.	H	α-helix	trans	-63.5	-46.2	178	-68.6	166.5	0	0	0	110.5	V248 V249 T254 I255 I256	V248-I252 HydrophobicContact CG1-CD1 3.8Å; V248-I252 HydrophobicContact CG1-CG1 4.49Å; V248-I252 VanDerWaalsContact O-CG1 3.29Å; V248-I252 WeakPolarHBondContact O-CG1 3.36Å; V248-I252 PolarHBondContact O-N 2.89Å; V249-I252 PolarHBondContact O-N 3.45Å; I252-T254 PolarHBondContact O-N 2.91Å; I252-I255 PolarHBondContact O-N 3.32Å; I252-I256 HydrophobicContact CG2-CD1 3.66Å; I252-I256 HydrophobicContact CG2-CG1 4.36Å; I252-I256 WeakPolarHBondContact O-CB 3.44Å; I252-I256 VanDerWaalsContact O-CG1 3.23Å; I252-I256 WeakPolarHBondContact O-CG1 3.21Å; I252-I256 PolarHBondContact O-N 3.05Å
253	T	89.6	Confident	86.1	Confident	71 Å²	71	94.8 Å²	94.8	44%	0.436	50%	0.503	S	S	.	.	H	α-helix	trans	-62.9	-40.9	178.4	57.1	0	0	0	0	112.1	V249 G250 I256 V257	V249-T253 HydrophobicContact CG1-CG2 4.29Å; V249-T253 VanDerWaalsContact O-CG2 3.3Å; V249-T253 WeakPolarHBondContact O-CG2 3.4Å; V249-T253 PolarHBondContact O-N 2.88Å; V249-T253 PolarHBondContact O-OG1 2.86Å; V249-T253 VanDerWaalsContact O-OG1 3.13Å; G250-T253 WeakPolarHBondContact CA-OG1 3.33Å; G250-T253 PolarHBondContact O-N 3.22Å; G250-T253 PolarHBondContact O-OG1 2.88Å; T253-I256 PolarHBondContact O-N 3.28Å; T253-V257 WeakPolarHBondContact O-CB 3.25Å; T253-V257 VanDerWaalsContact O-CG2 3.24Å; T253-V257 WeakPolarHBondContact O-CG2 3.39Å; T253-V257 PolarHBondContact O-N 2.63Å
254	T	86.6	Confident	84.6	Confident	71 Å²	71	91.5 Å²	91.5	44%	0.436	50%	0.495	S	S	.	.	H	α-helix	trans	-66.4	-41.8	176.5	50.9	0	0	0	0	112	G250 L251 I252 I256 V257 I258	G250-T254 WeakPolarHBondContact O-CG2 3.28Å; G250-T254 PolarHBondContact O-N 2.8Å; G250-T254 PolarHBondContact O-OG1 3.05Å; L251-T254 WeakPolarHBondContact CA-OG1 3.49Å; L251-T254 PolarHBondContact O-N 2.89Å; L251-T254 PolarHBondContact O-OG1 3.02Å; I252-T254 PolarHBondContact O-N 2.91Å; T254-I256 PolarHBondContact O-N 2.85Å; T254-V257 PolarHBondContact O-N 3.15Å; T254-I258 WeakPolarHBondContact O-CB 3.42Å; T254-I258 VanDerWaalsContact O-CG1 3.22Å; T254-I258 WeakPolarHBondContact O-CG1 3.35Å; T254-I258 PolarHBondContact O-N 2.94Å
255	I	88	Confident	83	Confident	109 Å²	109	92.3 Å²	92.3	56%	0.559	50%	0.498	S	S	*	.	H	α-helix	trans	-60.3	-45.4	173.7	-69.5	165.6	0	0	0	110.8	L251 I252 I258 Y259	L251-I255 WeakPolarHBondContact O-CB 3.44Å; L251-I255 WeakPolarHBondContact O-CD1 3.4Å; L251-I255 VanDerWaalsContact O-CG1 3.23Å; L251-I255 WeakPolarHBondContact O-CG1 3.22Å; L251-I255 PolarHBondContact O-N 2.88Å; I252-I255 PolarHBondContact O-N 3.32Å; I255-I258 PolarHBondContact O-N 2.72Å; I255-Y259 VanDerWaalsContact O-CB 3.27Å; I255-Y259 WeakPolarHBondContact O-CB 3.28Å; I255-Y259 PolarHBondContact O-N 2.84Å
256	I	86.9	Confident	81.2	Confident	92 Å²	92	90.5 Å²	90.5	47%	0.472	50%	0.499	S	S	.	.	H	α-helix	trans	-61.4	-45.8	177.2	-69.7	167.9	0	0	0	110.6	I252 T253 T254 Y259 C260	I252-I256 HydrophobicContact CG2-CD1 3.66Å; I252-I256 HydrophobicContact CG2-CG1 4.36Å; I252-I256 WeakPolarHBondContact O-CB 3.44Å; I252-I256 VanDerWaalsContact O-CG1 3.23Å; I252-I256 WeakPolarHBondContact O-CG1 3.21Å; I252-I256 PolarHBondContact O-N 3.05Å; T253-I256 PolarHBondContact O-N 3.28Å; T254-I256 PolarHBondContact O-N 2.85Å; I256-Y259 PolarHBondContact O-N 2.86Å; I256-C260 VanDerWaalsContact O-CB 3.29Å; I256-C260 WeakPolarHBondContact O-CB 3.46Å; I256-C260 PolarHBondContact O-N 2.98Å; I256-C260 PolarHBondContact O-SG 2.74Å
257	V	86.6	Confident	79.3	Confident	96 Å²	96	92 Å²	92	58%	0.582	51%	0.507	S	S	*	.	H	α-helix	trans	-64.3	-42.8	179.1	170.1	0	0	0	0	111.2	T253 T254 C260 S261	T253-V257 WeakPolarHBondContact O-CB 3.25Å; T253-V257 VanDerWaalsContact O-CG2 3.24Å; T253-V257 WeakPolarHBondContact O-CG2 3.39Å; T253-V257 PolarHBondContact O-N 2.63Å; T254-V257 PolarHBondContact O-N 3.15Å; V257-C260 PolarHBondContact O-N 3.28Å; V257-S261 WeakPolarHBondContact O-CB 3.24Å; V257-S261 PolarHBondContact O-N 2.88Å; V257-S261 PolarHBondContact O-OG 2.72Å
258	I	85	Confident	77.3	Confident	91 Å²	91	95.6 Å²	95.6	47%	0.467	52%	0.518	S	S	.	.	H	α-helix	trans	-62.5	-48	176.5	-69.3	166.7	0	0	0	109.9	T254 I255 C260 S261 Q262	T254-I258 WeakPolarHBondContact O-CB 3.42Å; T254-I258 VanDerWaalsContact O-CG1 3.22Å; T254-I258 WeakPolarHBondContact O-CG1 3.35Å; T254-I258 PolarHBondContact O-N 2.94Å; I255-I258 PolarHBondContact O-N 2.72Å; I258-C260 PolarHBondContact O-N 3.3Å; I258-S261 PolarHBondContact O-N 3.18Å; I258-S261 PolarHBondContact O-OG 3.33Å; I258-Q262 HydrophobicContact CG2-CG 4.47Å; I258-Q262 WeakPolarHBondContact O-CB 3.27Å; I258-Q262 WeakPolarHBondContact O-CG 3.38Å; I258-Q262 PolarHBondContact O-N 3.34Å
259	Y	83.3	Confident	75.3	Confident	139 Å²	139	97.9 Å²	97.9	55%	0.545	54%	0.537	S	S	.	.	H	α-helix	trans	-60.7	-44.5	177.9	-175.8	-105.5	0	0	0	112.5	I255 I256 Q262 K263	I255-Y259 VanDerWaalsContact O-CB 3.27Å; I255-Y259 WeakPolarHBondContact O-CB 3.28Å; I255-Y259 PolarHBondContact O-N 2.84Å; I256-Y259 PolarHBondContact O-N 2.86Å; Y259-Q262 PolarHBondContact O-N 3.01Å; Y259-K263 HydrophobicContact CE1-CD 4.39Å; Y259-K263 PolarHBondContact O-N 3.03Å; Y259-K263 VanDerWaalsContact O-N 3.08Å
260	C	77.6	Confident	73.3	Confident	76 Å²	76	97.3 Å²	97.3	51%	0.514	55%	0.547	S	S	.	.	H	α-helix	trans	-66	-39.3	175.7	-72.2	0	0	0	0	112.3	I256 V257 I258 K263 G264	I256-C260 VanDerWaalsContact O-CB 3.29Å; I256-C260 WeakPolarHBondContact O-CB 3.46Å; I256-C260 PolarHBondContact O-N 2.98Å; I256-C260 PolarHBondContact O-SG 2.74Å; V257-C260 PolarHBondContact O-N 3.28Å; I258-C260 PolarHBondContact O-N 3.3Å; C260-K263 PolarHBondContact O-N 3.08Å; C260-G264 PolarHBondContact O-N 2.62Å
261	S	72.8	Confident	71.2	Confident	56 Å²	56	101.6 Å²	101.6	39%	0.392	57%	0.567	S	S	.	*	H	α-helix	trans	-69.5	-34.7	178.2	75.5	0	0	0	0	112.7	V257 I258 G264 K265	V257-S261 WeakPolarHBondContact O-CB 3.24Å; V257-S261 PolarHBondContact O-N 2.88Å; V257-S261 PolarHBondContact O-OG 2.72Å; I258-S261 PolarHBondContact O-N 3.18Å; I258-S261 PolarHBondContact O-OG 3.33Å; S261-G264 PolarHBondContact O-N 2.58Å; S261-K265 WeakPolarHBondContact O-CG 3.29Å; S261-K265 PolarHBondContact O-N 3.04Å
262	Q	67.8	Low	69.2	Low	122 Å²	122	105.9 Å²	105.9	57%	0.57	58%	0.584	S	S	*	*	H	α-helix	trans	-68.3	-42	173.8	-74.7	-178.3	1.3	0	0	111.4	I258 Y259 G264 K265 A266	I258-Q262 HydrophobicContact CG2-CG 4.47Å; I258-Q262 WeakPolarHBondContact O-CB 3.27Å; I258-Q262 WeakPolarHBondContact O-CG 3.38Å; I258-Q262 PolarHBondContact O-N 3.34Å; Y259-Q262 PolarHBondContact O-N 3.01Å; Q262-G264 VanDerWaalsContact C-N 3.33Å; Q262-G264 PolarHBondContact O-N 3.16Å; Q262-K265 PolarHBondContact O-N 2.73Å; Q262-A266 PolarHBondContact O-N 2.94Å
263	K	61.5	Low	66.8	Low	136 Å²	136	105.3 Å²	105.3	59%	0.591	60%	0.6	S	S	*	*	H	α-helix	trans	-61.4	-39	171.3	-96.1	-169.8	171	-172.3	0	112.7	Y259 C260 K265 A266 L267	Y259-K263 HydrophobicContact CE1-CD 4.39Å; Y259-K263 PolarHBondContact O-N 3.03Å; Y259-K263 VanDerWaalsContact O-N 3.08Å; C260-K263 PolarHBondContact O-N 3.08Å; K263-K265 VanDerWaalsContact C-N 3.34Å; K263-K265 PolarHBondContact O-N 3.1Å; K263-A266 PolarHBondContact O-N 3Å; K263-L267 PolarHBondContact O-N 3.02Å; K263-L267 VanDerWaalsContact O-N 3.11Å
264	G	59.3	Low	64.5	Low	37 Å²	37	108 Å²	108	38%	0.381	62%	0.62	S	S	.	*	H	α-helix	trans	-66.6	-31.8	175.6	0	0	0	0	0	113.9	C260 S261 Q262 K268	C260-G264 PolarHBondContact O-N 2.62Å; S261-G264 PolarHBondContact O-N 2.58Å; Q262-G264 VanDerWaalsContact C-N 3.33Å; Q262-G264 PolarHBondContact O-N 3.16Å; G264-K268 PolarHBondContact O-N 3.22Å
265	K	58.1	Low	62.5	Low	158 Å²	158	110.4 Å²	110.4	69%	0.687	64%	0.637	S	S	*	*	H	α-helix	trans	-76	-36.1	173.8	-72.2	-177.6	-179.1	-173.4	0	112.5	S261 Q262 K263 L267 K268 S269	S261-K265 WeakPolarHBondContact O-CG 3.29Å; S261-K265 PolarHBondContact O-N 3.04Å; Q262-K265 PolarHBondContact O-N 2.73Å; K263-K265 VanDerWaalsContact C-N 3.34Å; K263-K265 PolarHBondContact O-N 3.1Å; K265-L267 VanDerWaalsContact C-N 3.32Å; K265-L267 PolarHBondContact O-N 3.18Å; K265-K268 PolarHBondContact O-N 3.08Å; K265-S269 PolarHBondContact O-N 3.24Å
266	A	55.1	Low	60.4	Low	71 Å²	71	113.6 Å²	113.6	59%	0.587	65%	0.654	S	S	*	*	H	α-helix	trans	-66.8	-30.9	174.4	0	0	0	0	0	112.9	Q262 K263	Q262-A266 PolarHBondContact O-N 2.94Å; K263-A266 PolarHBondContact O-N 3Å
267	L	53.9	Low	58.1	Low	142 Å²	142	118.7 Å²	118.7	74%	0.743	68%	0.676	S	S	*	*	H	α-helix	trans	-77.8	-26.3	176.6	-151.8	75.6	0	0	0	113.1	K263 K265	K263-L267 PolarHBondContact O-N 3.02Å; K263-L267 VanDerWaalsContact O-N 3.11Å; K265-L267 VanDerWaalsContact C-N 3.32Å; K265-L267 PolarHBondContact O-N 3.18Å
268	K	51.1	Low	55.8	Low	181 Å²	181	121.1 Å²	121.1	79%	0.787	69%	0.686	S	S	*	*	H	α-helix	trans	-86.1	-16.9	178.3	-76.1	-173.5	176.5	-173.4	0	114.4	G264 K265	G264-K268 PolarHBondContact O-N 3.22Å; K265-K268 PolarHBondContact O-N 3.08Å
269	S	50.3	Low	53.7	Low	105 Å²	105	126.8 Å²	126.8	73%	0.734	72%	0.724	S	S	*	*	S	Bend	trans	-92.2	4.8	175.7	96.1	0	0	0	0	114.3	K265	K265-S269 PolarHBondContact O-N 3.24Å
270	G	52.1	Low	52.2	Low	65 Å²	65	126.2 Å²	126.2	67%	0.67	73%	0.733	S	S	*	*	S	Bend	trans	-107	10.8	179	0	0	0	0	0	114.7
271	T	48.1	Very low	50.9	Low	119 Å²	119	128.8 Å²	128.8	73%	0.73	74%	0.744	S	S	*	*	S	Bend	trans	-133.7	46	-176.1	-38.7	0	0	0	0	111.6
272	E	49.5	Very low	49.7	Very low	198 Å²	198	132.8 Å²	132.8	93%	0.925	76%	0.764	S	S	*	*			trans	-141.5	96.4	161.3	-73.5	-171.8	141.6	0	0	107.8
273	G	39.6	Very low	48.6	Very low	76 Å²	76	133.5 Å²	133.5	78%	0.784	78%	0.775	S	S	*	*			trans	164.4	66.2	177.3	0	0	0	0	0	116.1
274	C	40.6	Very low	47.8	Very low	128 Å²	128	133.3 Å²	133.3	87%	0.865	79%	0.787	S	S	*	*				160.2	123	129.8	-98.5	0	0	0	0	111.9
275	P	45.3	Very low	47	Very low	121 Å²	121	139.7 Å²	139.7	79%	0.786	81%	0.814	S	S	*	*			trans	-82.2	141.2	164.2	32.6	-28.9	0	0	0	111.9
276	L	45	Very low	46.2	Very low	177 Å²	177	138.4 Å²	138.4	93%	0.927	82%	0.823	S	S	*	*			trans	17.9	117.4	148.7	-65.1	162.7	0	0	0	118.6
277	Q	37.3	Very low	45.6	Very low	199 Å²	199	143.6 Å²	143.6	93%	0.93	84%	0.841	S	S	*	*			trans	-94.9	129.9	157.2	-167.3	166.2	-1.7	0	0	109.3
278	D	39.4	Very low	44.9	Very low	147 Å²	147	143.8 Å²	143.8	79%	0.786	85%	0.849	S	S	*	*			trans	-83.3	156.7	173.2	-158.9	1	0	0	0	110.4
279	V	40.2	Very low	44.3	Very low	209 Å²	209	140.4 Å²	140.4	100%	1.267	86%	0.855	S	S	*	*			trans	86	0	-178.8	-165.5	0	0	0	0	117.7

Retrieved 279 of 279 residues in 48.7 ms (Link to these results)

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