A0A096NX31_PAPAN Loading...

Acyl-coenzyme A thioesterase 8

Catalyzes the hydrolysis of acyl-CoAs into free fatty acids and coenzyme A (CoASH), regulating their respective intracellular levels. Displays no strong substrate specificity with respect to the carboxylic acid moiety of Acyl-CoAs. Hydrolyzes medium length (C2 to C20) straight-chain, saturated and unsaturated acyl-CoAS but is inactive towards substrates with longer aliphatic chains. Moreover, it catalyzes the hydrolysis of CoA esters of bile acids, such as choloyl-CoA and chenodeoxycholoyl-CoA and competes with bile acid CoA:amino acid N-acyltransferase (BAAT). Is also able to hydrolyze CoA esters of dicarboxylic acids. It is involved in the metabolic regulation of peroxisome proliferation.

AlphaFold DB (A0A2K5ZS40), UniProt , Accession A0A096NX31, Species PAPAN (Papio anubis, Olive baboon), Gene ACOT8, Length 319 aa.

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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	38.3	Very low	36.3	Very low	235 Å²	235	147.7 Å²	147.7	100%	1.158	87%	0.865	S	S	*	*				0	82.5	0	-66.2	-163.7	-96.9	0	0	106.2
2	S	35.9	Very low	35.6	Very low	120 Å²	120	142.1 Å²	142.1	84%	0.839	86%	0.862	S	S	*	*				93.2	122.9	86.1	-62.3	0	0	0	0	110.8
3	S	40.9	Very low	35	Very low	114 Å²	114	141.8 Å²	141.8	80%	0.797	87%	0.868	S	S	*	*			trans	-53.8	171.4	-178.8	-39.9	0	0	0	0	115
4	P	44.6	Very low	34.4	Very low	113 Å²	113	136.4 Å²	136.4	73%	0.734	86%	0.855	S	S	*	*				-144.1	129.6	93.6	29.5	-9.2	0	0	0	114.3
5	Q	33.1	Very low	34.4	Very low	184 Å²	184	137.5 Å²	137.5	86%	0.86	85%	0.852	S	S	*	*				86.3	105.6	98.7	-76.2	-178.8	-34.5	0	0	114.9
6	A	41.5	Very low	34.3	Very low	91 Å²	91	144.6 Å²	144.6	75%	0.752	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-78.6	152.4	152	0	0	0	0	0	109.4
7	P	36.5	Very low	34.2	Very low	132 Å²	132	139.6 Å²	139.6	86%	0.857	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-86.1	144.1	161.7	17.2	-0.7	0	0	0	110.9
8	E	32.4	Very low	34.2	Very low	189 Å²	189	137.8 Å²	137.8	88%	0.883	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-77.6	146	-169.5	-65.5	166.9	142.5	0	0	113.3
9	D	35.1	Very low	34.3	Very low	172 Å²	172	135.6 Å²	135.6	92%	0.92	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-64.4	124.2	156.6	-81.5	-44.1	0	0	0	110.2
10	G	29.5	Very low	34.5	Very low	77 Å²	77	134.2 Å²	134.2	79%	0.794	81%	0.812	S	S	*	*			trans	-127.6	107.9	172.1	0	0	0	0	0	110.4
11	Q	31.1	Very low	35.1	Very low	198 Å²	198	137.5 Å²	137.5	93%	0.925	81%	0.81	S	S	*	*			trans	-59.8	147.5	-178.8	-72.6	158.1	-29.8	0	0	114.5
12	G	28.8	Very low	35.6	Very low	80 Å²	80	133.3 Å²	133.3	83%	0.825	79%	0.792	S	S	*	*			trans	89.6	96.4	130.7	0	0	0	0	0	117.7
13	C	27.2	Very low	36.7	Very low	139 Å²	139	133.7 Å²	133.7	94%	0.939	78%	0.784	S	S	*	*			trans	-130.7	104.5	136.3	-158.3	0	0	0	0	107.6
14	G	27	Very low	38.1	Very low	66 Å²	66	137.6 Å²	137.6	68%	0.68	78%	0.782	S	S	*	*			trans	-67.7	147.2	-176.3	0	0	0	0	0	113
15	D	34.2	Very low	39.7	Very low	153 Å²	153	132.3 Å²	132.3	82%	0.818	75%	0.747	S	S	*	*			trans	57.5	71.2	131.3	-142	13.2	0	0	0	116	G17	D15-G17 PolarHBondContact O-N 3.29Å
16	R	33.2	Very low	41.9	Very low	250 Å²	250	127.9 Å²	127.9	94%	0.943	73%	0.732	S	S	*	*			trans	-77.7	98.3	148.8	-73.4	-172.7	-174.2	-167.6	1.9	106.5	D18	R16-D18 PolarHBondContact O-N 3.01Å; R16-D18 VanDerWaalsContact O-N 3.15Å
17	G	31.9	Very low	43.8	Very low	60 Å²	60	123.5 Å²	123.5	62%	0.619	70%	0.696	S	S	*	*			trans	-40.5	114	-174.2	0	0	0	0	0	113.6	D15	D15-G17 PolarHBondContact O-N 3.29Å
18	D	34.4	Very low	45.8	Very low	107 Å²	107	119 Å²	119	57%	0.572	67%	0.666	S	S	*	*			trans	-59.2	129.3	155.5	-126.6	8.1	0	0	0	106.4	R16 R21	R16-D18 PolarHBondContact O-N 3.01Å; R16-D18 VanDerWaalsContact O-N 3.15Å; D18-R21 IonicContact OD2-CZ 2.77Å; D18-R21 IonicContact OD2-NE 2.82Å; D18-R21 PolarHBondContact OD2-NE 3.26Å; D18-R21 VanDerWaalsContact OD2-NE 3.14Å; D18-R21 IonicContact OD2-NH2 3.31Å; D18-R21 PolarHBondContact OD2-NH2 2.81Å
19	P	36.4	Very low	48.1	Very low	96 Å²	96	112.9 Å²	112.9	62%	0.623	64%	0.642	S	S	*	*			trans	-60.4	145.5	175.2	25.4	-31.3	0	0	0	108.9	R21	P19-R21 PolarHBondContact O-N 3.19Å
20	P	38.8	Very low	50.2	Low	108 Å²	108	107 Å²	107	70%	0.701	61%	0.613	S	S	*	*			trans	-56.8	114.2	-172.8	23.3	-33.7	0	0	0	110	D22	P20-D22 PolarHBondContact O-N 2.77Å
21	R	46	Very low	52.7	Low	203 Å²	203	104 Å²	104	77%	0.766	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	5.6	-178.4	-68.7	-174.7	-178.5	-166.6	-0.6	114.3	D18 P19	D18-R21 IonicContact OD2-CZ 2.77Å; D18-R21 IonicContact OD2-NE 2.82Å; D18-R21 PolarHBondContact OD2-NE 3.26Å; D18-R21 VanDerWaalsContact OD2-NE 3.14Å; D18-R21 IonicContact OD2-NH2 3.31Å; D18-R21 PolarHBondContact OD2-NH2 2.81Å; P19-R21 PolarHBondContact O-N 3.19Å
22	D	49.5	Very low	55.6	Low	148 Å²	148	94.8 Å²	94.8	79%	0.791	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.3	15	-159.4	-142	10.5	0	0	0	116.1	P20	P20-D22 PolarHBondContact O-N 2.77Å
23	L	58.9	Low	58.5	Low	127 Å²	127	95 Å²	95	67%	0.665	52%	0.518	S	S	*	.			trans	-104.3	89.9	168.9	-67.2	172.9	0	0	0	109.9	Y214	L23-Y214 PolarHBondContact O-N 3.01Å; L23-Y214 VanDerWaalsContact O-N 3.17Å
24	R	70.1	Confident	61.8	Low	197 Å²	197	88.5 Å²	88.5	74%	0.743	47%	0.474	S	S	*	.	B	Isolated β-bridge	trans	-54.5	139.2	166.7	-75	-170.2	-179.1	-171.3	0.1	109.5	V26 T29 Y214	R24-V26 PolarHBondContact O-N 2.69Å; R24-T29 HydrophobicContact CB-CG2 3.85Å; R24-Y214 WeakPolarHBondContact CA-O 3.39Å
25	S	79.1	Confident	65.1	Low	1 Å²	1	88.6 Å²	88.6	1%	0.007	46%	0.456	C	S	.	.			trans	-54.1	125.4	-177.6	-177.5	0	0	0	0	112.3	L27 V28 T29 R212 Y214	S25-L27 PolarHBondContact O-N 3.11Å; S25-L27 WeakPolarHBondContact OG-CB 3.35Å; S25-L27 PolarHBondContact OG-N 3.18Å; S25-V28 WeakPolarHBondContact O-CB 3.45Å; S25-V28 PolarHBondContact O-N 2.79Å; S25-T29 PolarHBondContact O-N 2.93Å; S25-T29 PolarHBondContact O-OG1 2.9Å; S25-R212 WeakPolarHBondContact CA-O 3.43Å; S25-R212 WeakPolarHBondContact CB-O 3.35Å; S25-R212 PolarHBondContact OG-O 2.98Å; S25-Y214 PolarHBondContact N-O 3.12Å
26	V	78.2	Confident	68.1	Low	91 Å²	91	85.5 Å²	85.5	55%	0.552	45%	0.445	S	S	*	.	H	α-helix	trans	-56.4	-32.3	172.4	175	0	0	0	0	111.1	R24 V28 T29 T30 V31	R24-V26 PolarHBondContact O-N 2.69Å; V26-V28 VanDerWaalsContact C-N 3.26Å; V26-V28 PolarHBondContact O-N 2.93Å; V26-T29 WeakPolarHBondContact CA-OG1 3.45Å; V26-T30 WeakPolarHBondContact O-CB 3.37Å; V26-T30 PolarHBondContact O-N 2.7Å; V26-V31 PolarHBondContact O-N 3.35Å
27	L	81.1	Confident	71.2	Confident	0 Å²	0	76.9 Å²	76.9	0%	0	42%	0.417	C	S	.	.	I	π-helix	trans	-59	-41.7	176.5	-152.7	151.6	0	0	0	110.8	S25 V31 L32 P184 I185 A211 V226 Y229	S25-L27 PolarHBondContact O-N 3.11Å; S25-L27 WeakPolarHBondContact OG-CB 3.35Å; S25-L27 PolarHBondContact OG-N 3.18Å; L27-V31 WeakPolarHBondContact O-CB 3.39Å; L27-V31 PolarHBondContact O-N 2.96Å; L27-L32 HydrophobicContact CD2-CD1 3.31Å; L27-L32 HydrophobicContact CD2-CG 3.63Å; L27-L32 WeakPolarHBondContact O-CB 3.47Å; L27-L32 PolarHBondContact O-N 2.81Å; L27-P184 HydrophobicContact CB-CB 3.96Å; L27-P184 HydrophobicContact CB-CG 4.46Å; L27-P184 HydrophobicContact CD1-CB 3.98Å; L27-P184 HydrophobicContact CD1-CG 3.88Å; L27-P184 HydrophobicContact CG-CB 4.14Å; L27-P184 HydrophobicContact CG-CG 4.11Å; L27-I185 HydrophobicContact CD1-CG2 3.58Å; L27-A211 HydrophobicContact CD1-CB 4.29Å; L27-V226 HydrophobicContact CD1-CG1 4.18Å; L27-V226 HydrophobicContact CD2-CB 4.16Å; L27-V226 HydrophobicContact CD2-CG1 3.98Å; L27-V226 HydrophobicContact CD2-CG2 3.64Å; L27-Y229 HydrophobicContact CD1-CD1 3.81Å; L27-Y229 HydrophobicContact CD1-CE1 4Å; L27-Y229 HydrophobicContact CD1-CG 4.32Å; L27-Y229 HydrophobicContact CD2-CG 4.36Å
28	V	78.9	Confident	74.3	Confident	37 Å²	37	79.9 Å²	79.9	22%	0.224	42%	0.419	C	S	.	.	I	π-helix	trans	-78	-49.9	179.4	178.8	0	0	0	0	111.2	S25 V26 T30 N33 I215 M222 V226	S25-V28 WeakPolarHBondContact O-CB 3.45Å; S25-V28 PolarHBondContact O-N 2.79Å; V26-V28 VanDerWaalsContact C-N 3.26Å; V26-V28 PolarHBondContact O-N 2.93Å; V28-T30 VanDerWaalsContact C-N 3.31Å; V28-T30 PolarHBondContact O-N 2.8Å; V28-N33 PolarHBondContact O-N 3.31Å; V28-I215 HydrophobicContact CG2-CB 4.39Å; V28-I215 HydrophobicContact CG2-CG1 3.86Å; V28-I215 HydrophobicContact CG2-CG2 4.07Å; V28-M222 HydrophobicContact CB-CE 4.46Å; V28-M222 HydrophobicContact CG1-CE 4.39Å; V28-M222 HydrophobicContact CG1-CG 4.05Å; V28-M222 HydrophobicContact CG1-SD 3.97Å; V28-M222 HydrophobicContact CG2-CE 4Å; V28-M222 HydrophobicContact CG2-CG 3.88Å; V28-M222 HydrophobicContact CG2-SD 4.35Å; V28-V226 HydrophobicContact CG2-CG2 4.28Å
29	T	81.3	Confident	77.3	Confident	60 Å²	60	81.3 Å²	81.3	37%	0.368	42%	0.422	S	S	.	.	I	π-helix	trans	-74	-23.2	-171.2	57.8	0	0	0	0	113.5	R24 S25 V26 N33	R24-T29 HydrophobicContact CB-CG2 3.85Å; S25-T29 PolarHBondContact O-N 2.93Å; S25-T29 PolarHBondContact O-OG1 2.9Å; V26-T29 WeakPolarHBondContact CA-OG1 3.45Å; T29-N33 VanDerWaalsContact O-CB 3.29Å; T29-N33 WeakPolarHBondContact O-CB 3.44Å; T29-N33 PolarHBondContact O-ND2 2.77Å
30	T	79.8	Confident	80.3	Confident	50 Å²	50	78.1 Å²	78.1	31%	0.307	40%	0.4	S	S	.	.	I	π-helix	trans	-126.5	-57	-172.9	-52.2	0	0	0	0	112.5	V26 V28 H46	V26-T30 WeakPolarHBondContact O-CB 3.37Å; V26-T30 PolarHBondContact O-N 2.7Å; V28-T30 VanDerWaalsContact C-N 3.31Å; V28-T30 PolarHBondContact O-N 2.8Å; T30-H46 HydrophobicContact CG2-CB 3.65Å
31	V	81.8	Confident	83.1	Confident	14 Å²	14	75.1 Å²	75.1	9%	0.085	38%	0.378	C	S	.	.	I	π-helix	trans	-73	-42.4	-167.8	179.7	0	0	0	0	112.4	V26 L27 Q58 Q62 P184 Y229	V26-V31 PolarHBondContact O-N 3.35Å; L27-V31 WeakPolarHBondContact O-CB 3.39Å; L27-V31 PolarHBondContact O-N 2.96Å; V31-Q58 HydrophobicContact CG1-CG 3.93Å; V31-Q58 PolarHBondContact O-NE2 2.67Å; V31-Q58 VanDerWaalsContact O-NE2 3.09Å; V31-Q62 PolarHBondContact O-NE2 3.4Å; V31-P184 HydrophobicContact CG2-CG 4.33Å; V31-Y229 HydrophobicContact CG1-CD2 4.05Å; V31-Y229 HydrophobicContact CG1-CE2 3.62Å
32	L	90.6	Very high	85.6	Confident	3 Å²	3	66.1 Å²	66.1	2%	0.016	34%	0.344	C	S	.	.	S	Bend	trans	-99.8	-1.8	178.7	-64.7	-173.9	0	0	0	113.1	L27 L34 Q62 V65 M222 C225 V226 Y229	L27-L32 HydrophobicContact CD2-CD1 3.31Å; L27-L32 HydrophobicContact CD2-CG 3.63Å; L27-L32 WeakPolarHBondContact O-CB 3.47Å; L27-L32 PolarHBondContact O-N 2.81Å; L32-L34 PolarHBondContact O-N 2.94Å; L32-Q62 HydrophobicContact CD2-CG 3.99Å; L32-V65 HydrophobicContact CB-CG2 4.2Å; L32-M222 HydrophobicContact CB-CE 3.73Å; L32-M222 HydrophobicContact CD1-CE 3.35Å; L32-M222 HydrophobicContact CG-CE 4.17Å; L32-C225 HydrophobicContact CD1-CB 4.13Å; L32-V226 HydrophobicContact CD1-CG2 4.09Å; L32-Y229 HydrophobicContact CD2-CD2 4.39Å
33	N	91.2	Very high	87.9	Confident	86 Å²	86	62.2 Å²	62.2	46%	0.46	32%	0.318	S	S	.	.			trans	-67.6	128	176.5	-172.5	25.9	0	0	0	110.6	V28 T29	V28-N33 PolarHBondContact O-N 3.31Å; T29-N33 VanDerWaalsContact O-CB 3.29Å; T29-N33 WeakPolarHBondContact O-CB 3.44Å; T29-N33 PolarHBondContact O-ND2 2.77Å
34	L	95.9	Very high	89.6	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.01	29%	0.287	C	S	.	.			trans	-120	128	-179.9	-73.1	-173.5	0	0	0	110	L32 F42 Q62 V65 A66 K69 Y96	L32-L34 PolarHBondContact O-N 2.94Å; L34-F42 HydrophobicContact CB-CB 4.15Å; L34-F42 HydrophobicContact CD1-CB 3.98Å; L34-F42 HydrophobicContact CD1-CG 4.46Å; L34-Q62 HydrophobicContact CD1-CB 4.32Å; L34-Q62 VanDerWaalsContact CD1-O 3.28Å; L34-Q62 WeakPolarHBondContact CD1-O 3.22Å; L34-Q62 HydrophobicContact CD2-CB 4.07Å; L34-Q62 HydrophobicContact CD2-CG 3.93Å; L34-Q62 HydrophobicContact CG-CB 4.4Å; L34-Q62 HydrophobicContact CG-CG 4.37Å; L34-V65 HydrophobicContact CD1-CB 4.18Å; L34-V65 HydrophobicContact CD1-CG1 4.03Å; L34-V65 HydrophobicContact CG-CG1 4.3Å; L34-A66 HydrophobicContact CD1-CB 3.9Å; L34-K69 PolarHBondContact O-NZ 3.33Å; L34-Y96 HydrophobicContact CD1-CD2 4.22Å; L34-Y96 HydrophobicContact CD1-CG 4.48Å; L34-Y96 HydrophobicContact CD2-CD2 3.87Å; L34-Y96 HydrophobicContact CD2-CE2 3.91Å
35	E	96.4	Very high	90.3	Very high	67 Å²	67	53 Å²	53	31%	0.313	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	121.8	172.4	-178.6	-173.2	-178.1	0	0	109.5	L37 F42 R43 R45	E35-L37 HydrophobicContact CG-CD2 4.2Å; E35-F42 CarbonylContact O-C 3.55Å; E35-F42 WeakPolarHBondContact O-CA 3.28Å; E35-R43 HydrophobicContact CB-CB 4.4Å; E35-R43 PolarHBondContact N-O 2.73Å; E35-R43 PolarHBondContact O-N 2.8Å; E35-R43 IonicContact OE1-CZ 2.77Å; E35-R43 IonicContact OE1-NE 3.68Å; E35-R43 IonicContact OE1-NH2 3.12Å; E35-R43 PolarHBondContact OE1-NH2 2.78Å; E35-R43 IonicContact OE2-CZ 3.17Å; E35-R43 IonicContact OE2-NE 2.69Å; E35-R43 PolarHBondContact OE2-NE 3.01Å; E35-R43 IonicContact OE2-NH2 3.14Å; E35-R43 PolarHBondContact OE2-NH2 2.87Å; E35-R45 IonicContact OE1-NH2 3.65Å; E35-R45 PolarHBondContact OE1-NH2 2.76Å; E35-R45 VanDerWaalsContact OE1-NH2 3.12Å; E35-R45 IonicContact OE2-CZ 3.46Å; E35-R45 IonicContact OE2-NE 2.96Å; E35-R45 PolarHBondContact OE2-NE 2.87Å; E35-R45 IonicContact OE2-NH2 2.81Å; E35-R45 PolarHBondContact OE2-NH2 2.79Å
36	P	97.3	Very high	90.3	Very high	88 Å²	88	58.3 Å²	58.3	57%	0.571	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.8	132.7	171.7	30	-32.3	0	0	0	109.8	F42	P36-F42 HydrophobicContact CB-CD1 4.23Å; P36-F42 HydrophobicContact CB-CE1 4.33Å
37	L	97.9	Very high	90.2	Very high	70 Å²	70	55.6 Å²	55.6	37%	0.366	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	-37.3	174.8	-58.5	-173.4	0	0	0	112	E35 L41 R43 L95	E35-L37 HydrophobicContact CG-CD2 4.2Å; L37-L41 HydrophobicContact CB-CD2 4.06Å; L37-L41 HydrophobicContact CB-CG 4.07Å; L37-L41 HydrophobicContact CD1-CD2 4.4Å; L37-L41 HydrophobicContact CD1-CG 4.39Å; L37-L41 PolarHBondContact N-O 3.28Å; L37-R43 HydrophobicContact CD1-CB 3.83Å; L37-R43 HydrophobicContact CD2-CB 4.08Å; L37-R43 HydrophobicContact CG-CB 3.93Å; L37-L95 HydrophobicContact CD1-CD2 3.73Å
38	D	97.7	Very high	89.7	Confident	122 Å²	122	57.2 Å²	57.2	65%	0.652	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-157.5	-179.8	177.9	-150.9	-25	0	0	0	109.1	D40 L41	D38-D40 PolarHBondContact O-N 3.27Å; D38-L41 HydrophobicContact CB-CB 4.04Å; D38-L41 HydrophobicContact CB-CD2 4.27Å; D38-L41 PolarHBondContact N-O 2.87Å; D38-L41 PolarHBondContact O-N 3.06Å
39	E	97.3	Very high	89.2	Confident	137 Å²	137	58 Å²	58	64%	0.64	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	127.2	168.9	-174.9	169.4	-164.4	0	0	110	L41 R100	E39-L41 PolarHBondContact O-N 2.96Å; E39-R100 IonicContact OE1-CZ 3.37Å; E39-R100 IonicContact OE1-NH1 3.4Å; E39-R100 IonicContact OE1-NH2 2.8Å; E39-R100 PolarHBondContact OE1-NH2 2.88Å
40	D	98.3	Very high	88.3	Confident	29 Å²	29	56.8 Å²	56.8	16%	0.155	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	58	17.7	178.5	-63.6	-19.7	0	0	0	114.4	D38 S70 V98 R100	D38-D40 PolarHBondContact O-N 3.27Å; D40-S70 WeakPolarHBondContact OD1-CB 3.38Å; D40-V98 HydrophobicContact CB-CB 3.97Å; D40-V98 WeakPolarHBondContact CB-O 3.41Å; D40-V98 PolarHBondContact O-N 2.82Å; D40-R100 IonicContact OD1-CZ 3.94Å; D40-R100 IonicContact OD1-NE 3.35Å; D40-R100 PolarHBondContact OD1-NE 3.26Å; D40-R100 IonicContact OD1-NH2 3.44Å; D40-R100 PolarHBondContact OD1-NH2 2.82Å; D40-R100 WeakPolarHBondContact OD2-CG 3.46Å; D40-R100 IonicContact OD2-CZ 2.93Å; D40-R100 IonicContact OD2-NE 3.59Å; D40-R100 PolarHBondContact OD2-NE 3.31Å; D40-R100 IonicContact OD2-NH2 2.7Å; D40-R100 PolarHBondContact OD2-NH2 3.4Å
41	L	98.6	Very high	87.3	Confident	46 Å²	46	57.9 Å²	57.9	24%	0.241	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	122.1	176.8	179.5	65.9	0	0	0	111.7	L37 D38 E39 Q97	L37-L41 HydrophobicContact CB-CD2 4.06Å; L37-L41 HydrophobicContact CB-CG 4.07Å; L37-L41 HydrophobicContact CD1-CD2 4.4Å; L37-L41 HydrophobicContact CD1-CG 4.39Å; L37-L41 PolarHBondContact N-O 3.28Å; D38-L41 HydrophobicContact CB-CB 4.04Å; D38-L41 HydrophobicContact CB-CD2 4.27Å; D38-L41 PolarHBondContact N-O 2.87Å; D38-L41 PolarHBondContact O-N 3.06Å; E39-L41 PolarHBondContact O-N 2.96Å; L41-Q97 HydrophobicContact CD1-CG 3.65Å
42	F	98.5	Very high	86.7	Confident	13 Å²	13	66.1 Å²	66.1	6%	0.057	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	157.1	-175.8	-51.8	-91.9	0	0	0	112.3	L34 E35 P36 A66 K69 L95 Y96 V98	L34-F42 HydrophobicContact CB-CB 4.15Å; L34-F42 HydrophobicContact CD1-CB 3.98Å; L34-F42 HydrophobicContact CD1-CG 4.46Å; E35-F42 CarbonylContact O-C 3.55Å; E35-F42 WeakPolarHBondContact O-CA 3.28Å; P36-F42 HydrophobicContact CB-CD1 4.23Å; P36-F42 HydrophobicContact CB-CE1 4.33Å; F42-A66 HydrophobicContact CD2-CB 3.66Å; F42-A66 HydrophobicContact CE2-CB 4.1Å; F42-A66 HydrophobicContact CG-CB 4.29Å; F42-K69 HydrophobicContact CD1-CD 4.21Å; F42-K69 HydrophobicContact CE1-CB 4.15Å; F42-K69 HydrophobicContact CE1-CD 3.61Å; F42-K69 HydrophobicContact CZ-CB 3.84Å; F42-K69 HydrophobicContact CZ-CD 4.17Å; F42-L95 CarbonylContact O-C 3.53Å; F42-L95 WeakPolarHBondContact O-CA 3.47Å; F42-Y96 PolarHBondContact N-O 3.5Å; F42-Y96 PolarHBondContact O-N 3.22Å; F42-V98 HydrophobicContact CD2-CG2 4.16Å; F42-V98 HydrophobicContact CE2-CG2 3.95Å
43	R	97.7	Very high	86.2	Confident	67 Å²	67	71.5 Å²	71.5	25%	0.253	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	125.7	177.8	174.3	168.2	58.5	-168.6	-11.6	111.5	E35 L37 R45 P93 L95	E35-R43 HydrophobicContact CB-CB 4.4Å; E35-R43 PolarHBondContact N-O 2.73Å; E35-R43 PolarHBondContact O-N 2.8Å; E35-R43 IonicContact OE1-CZ 2.77Å; E35-R43 IonicContact OE1-NE 3.68Å; E35-R43 IonicContact OE1-NH2 3.12Å; E35-R43 PolarHBondContact OE1-NH2 2.78Å; E35-R43 IonicContact OE2-CZ 3.17Å; E35-R43 IonicContact OE2-NE 2.69Å; E35-R43 PolarHBondContact OE2-NE 3.01Å; E35-R43 IonicContact OE2-NH2 3.14Å; E35-R43 PolarHBondContact OE2-NH2 2.87Å; L37-R43 HydrophobicContact CD1-CB 3.83Å; L37-R43 HydrophobicContact CD2-CB 4.08Å; L37-R43 HydrophobicContact CG-CB 3.93Å; R43-R45 HydrophobicContact CG-CG 4.14Å; R43-P93 HydrophobicContact CG-CB 4Å; R43-L95 HydrophobicContact CB-CD2 3.99Å; R43-L95 HydrophobicContact CG-CD2 4.22Å
44	G	94.4	Very high	85.9	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	150.5	164.5	0	0	0	0	0	111	Y47 P93 V94	G44-Y47 WeakPolarHBondContact CA-OH 3.46Å; G44-Y47 PolarHBondContact O-OH 2.93Å; G44-P93 WeakPolarHBondContact O-CB 3.46Å; G44-V94 PolarHBondContact N-O 2.81Å
45	R	84.6	Confident	85.6	Confident	131 Å²	131	69.5 Å²	69.5	49%	0.494	34%	0.34	S	S	.	.			trans	-136.2	-36.7	179.1	-64.7	-172	-177.6	-149.2	12.4	115	E35 R43	E35-R45 IonicContact OE1-NH2 3.65Å; E35-R45 PolarHBondContact OE1-NH2 2.76Å; E35-R45 VanDerWaalsContact OE1-NH2 3.12Å; E35-R45 IonicContact OE2-CZ 3.46Å; E35-R45 IonicContact OE2-NE 2.96Å; E35-R45 PolarHBondContact OE2-NE 2.87Å; E35-R45 IonicContact OE2-NH2 2.81Å; E35-R45 PolarHBondContact OE2-NH2 2.79Å; R43-R45 HydrophobicContact CG-CG 4.14Å
46	H	78.9	Confident	85.4	Confident	111 Å²	111	66.9 Å²	66.9	51%	0.514	33%	0.332	S	S	.	.			trans	-99.1	102.9	-173.1	-59.2	105	0	0	0	110.1	T30 Q58	T30-H46 HydrophobicContact CG2-CB 3.65Å; H46-Q58 PolarHBondContact O-NE2 2.86Å
47	Y	76.9	Confident	85.2	Confident	34 Å²	34	62.7 Å²	62.7	13%	0.133	30%	0.304	C	S	.	.			trans	-104.2	134.4	-176.1	-58.9	-65.7	0	0	0	112.1	G44 L54 V94	G44-Y47 WeakPolarHBondContact CA-OH 3.46Å; G44-Y47 PolarHBondContact O-OH 2.93Å; Y47-L54 HydrophobicContact CD1-CD2 3.54Å; Y47-L54 HydrophobicContact CD2-CD2 3.87Å; Y47-L54 HydrophobicContact CE1-CD2 4.23Å; Y47-L54 HydrophobicContact CG-CD2 3.34Å; Y47-V94 HydrophobicContact CE1-CB 4.48Å; Y47-V94 HydrophobicContact CE1-CG2 3.99Å; Y47-V94 VanDerWaalsContact OH-CB 3.23Å; Y47-V94 WeakPolarHBondContact OH-CB 3.42Å; Y47-V94 VanDerWaalsContact OH-CG2 3.31Å; Y47-V94 WeakPolarHBondContact OH-CG2 3.35Å; Y47-V94 PolarHBondContact OH-N 3.15Å
48	W	69.1	Low	85	Confident	34 Å²	34	59.4 Å²	59.4	13%	0.129	29%	0.287	C	S	.	.			trans	-83.1	121.7	164.9	-174.5	65.2	0	0	0	108.9	P50 F55 V183 Y233	W48-P50 VanDerWaalsContact C-CD 3.47Å; W48-P50 HydrophobicContact CD2-CG 4.24Å; W48-P50 HydrophobicContact CE3-CG 3.88Å; W48-P50 HydrophobicContact CH2-CB 3.76Å; W48-P50 HydrophobicContact CH2-CG 3.74Å; W48-P50 HydrophobicContact CZ2-CB 3.78Å; W48-P50 HydrophobicContact CZ2-CG 4.13Å; W48-P50 HydrophobicContact CZ3-CB 4.19Å; W48-P50 HydrophobicContact CZ3-CG 3.63Å; W48-P50 VanDerWaalsContact O-CD 3.3Å; W48-P50 WeakPolarHBondContact O-CD 3.31Å; W48-F55 HydrophobicContact CE3-CB 3.78Å; W48-F55 AromaticContact CE3-CD1 3.66Å; W48-F55 HydrophobicContact CE3-CD1 3.66Å; W48-F55 HydrophobicContact CE3-CD2 4.43Å; W48-F55 HydrophobicContact CE3-CE1 4.39Å; W48-F55 AromaticContact CE3-CG 3.69Å; W48-F55 HydrophobicContact CE3-CG 3.69Å; W48-F55 HydrophobicContact CZ3-CB 4.21Å; W48-F55 AromaticContact CZ3-CD1 3.87Å; W48-F55 HydrophobicContact CZ3-CD1 3.87Å; W48-F55 HydrophobicContact CZ3-CD2 4.06Å; W48-F55 HydrophobicContact CZ3-CE1 4.26Å; W48-F55 HydrophobicContact CZ3-CE2 4.45Å; W48-F55 AromaticContact CZ3-CG 3.77Å; W48-F55 HydrophobicContact CZ3-CG 3.77Å; W48-V183 HydrophobicContact CH2-CG1 4.47Å; W48-V183 HydrophobicContact CZ2-CG1 4.26Å; W48-V183 HydrophobicContact CZ2-CG2 3.79Å; W48-Y233 HydrophobicContact CH2-CD2 4.42Å; W48-Y233 AromaticContact CH2-CE2 3.73Å; W48-Y233 HydrophobicContact CH2-CE2 3.73Å; W48-Y233 HydrophobicContact CZ3-CD2 4.4Å; W48-Y233 HydrophobicContact CZ3-CE2 4.16Å
49	V	69.5	Low	84.9	Confident	54 Å²	54	53.9 Å²	53.9	33%	0.327	26%	0.257	S	S	.	.			trans	-124.2	71.8	-167.6	-168.2	0	0	0	0	110.6	A51 P90	V49-A51 VanDerWaalsContact C-N 3.27Å; V49-A51 PolarHBondContact O-N 3.25Å; V49-P90 HydrophobicContact CB-CB 4.29Å; V49-P90 HydrophobicContact CG1-CB 3.71Å; V49-P90 HydrophobicContact CG1-CG 3.93Å; V49-P90 HydrophobicContact CG2-CB 3.5Å; V49-P90 VanDerWaalsContact CG2-CB 3.5Å
50	P	61.1	Low	84.9	Confident	34 Å²	34	47.4 Å²	47.4	22%	0.221	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-23.3	-175	27	-35.5	0	0	0	113.7	W48	W48-P50 VanDerWaalsContact C-CD 3.47Å; W48-P50 HydrophobicContact CD2-CG 4.24Å; W48-P50 HydrophobicContact CE3-CG 3.88Å; W48-P50 HydrophobicContact CH2-CB 3.76Å; W48-P50 HydrophobicContact CH2-CG 3.74Å; W48-P50 HydrophobicContact CZ2-CB 3.78Å; W48-P50 HydrophobicContact CZ2-CG 4.13Å; W48-P50 HydrophobicContact CZ3-CB 4.19Å; W48-P50 HydrophobicContact CZ3-CG 3.63Å; W48-P50 VanDerWaalsContact O-CD 3.3Å; W48-P50 WeakPolarHBondContact O-CD 3.31Å
51	A	59.8	Low	84.9	Confident	73 Å²	73	46 Å²	46	60%	0.603	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-141.2	37.3	-171.1	0	0	0	0	0	114.2	V49 R53	V49-A51 VanDerWaalsContact C-N 3.27Å; V49-A51 PolarHBondContact O-N 3.25Å; A51-R53 PolarHBondContact O-N 2.92Å; A51-R53 VanDerWaalsContact O-N 3.13Å
52	K	69.5	Low	84.9	Confident	187 Å²	187	43.8 Å²	43.8	81%	0.813	21%	0.208	S	C	*	.	S	Bend	trans	59.9	14.8	-176.3	-55.2	-176	175.6	-173.3	0	115
53	R	78.8	Confident	84.9	Confident	117 Å²	117	43.2 Å²	43.2	44%	0.442	21%	0.206	S	C	.	.	S	Bend	trans	-135.5	155.9	176.2	-65.4	-178.7	-179.5	173.3	0.2	108.4	A51 F55	A51-R53 PolarHBondContact O-N 2.92Å; A51-R53 VanDerWaalsContact O-N 3.13Å; R53-F55 PolarHBondContact O-N 3.15Å
54	L	85.4	Confident	84.9	Confident	22 Å²	22	40 Å²	40	12%	0.115	19%	0.194	C	C	.	.			trans	-58.6	135.1	171.1	-62.3	-179.8	0	0	0	110.1	Y47 I59 P90 V94 I121	Y47-L54 HydrophobicContact CD1-CD2 3.54Å; Y47-L54 HydrophobicContact CD2-CD2 3.87Å; Y47-L54 HydrophobicContact CE1-CD2 4.23Å; Y47-L54 HydrophobicContact CG-CD2 3.34Å; L54-I59 HydrophobicContact CB-CD1 4.17Å; L54-I59 HydrophobicContact CB-CG1 4.3Å; L54-I59 HydrophobicContact CD1-CD1 3.8Å; L54-P90 HydrophobicContact CD2-CB 4.15Å; L54-V94 HydrophobicContact CD1-CG2 3.61Å; L54-I121 HydrophobicContact CD1-CD1 4.11Å
55	F	90.1	Very high	85.1	Confident	23 Å²	23	40.6 Å²	40.6	10%	0.101	20%	0.197	C	C	.	.			trans	-70.5	129.8	173	173.4	-128.2	0	0	0	110.3	W48 R53 G57 Q58 I59 Y229 D232 Y233	W48-F55 HydrophobicContact CE3-CB 3.78Å; W48-F55 AromaticContact CE3-CD1 3.66Å; W48-F55 HydrophobicContact CE3-CD1 3.66Å; W48-F55 HydrophobicContact CE3-CD2 4.43Å; W48-F55 HydrophobicContact CE3-CE1 4.39Å; W48-F55 AromaticContact CE3-CG 3.69Å; W48-F55 HydrophobicContact CE3-CG 3.69Å; W48-F55 HydrophobicContact CZ3-CB 4.21Å; W48-F55 AromaticContact CZ3-CD1 3.87Å; W48-F55 HydrophobicContact CZ3-CD1 3.87Å; W48-F55 HydrophobicContact CZ3-CD2 4.06Å; W48-F55 HydrophobicContact CZ3-CE1 4.26Å; W48-F55 HydrophobicContact CZ3-CE2 4.45Å; W48-F55 AromaticContact CZ3-CG 3.77Å; W48-F55 HydrophobicContact CZ3-CG 3.77Å; R53-F55 PolarHBondContact O-N 3.15Å; F55-G57 PolarHBondContact O-N 3.16Å; F55-Q58 HydrophobicContact CB-CB 4.43Å; F55-Q58 HydrophobicContact CD1-CB 4.14Å; F55-Q58 WeakPolarHBondContact O-CB 3.49Å; F55-Q58 PolarHBondContact O-N 2.77Å; F55-I59 PolarHBondContact O-N 2.86Å; F55-Y229 HydrophobicContact CD1-CD2 4.3Å; F55-Y229 AromaticContact CD1-CE2 3.66Å; F55-Y229 HydrophobicContact CD1-CE2 3.66Å; F55-Y229 AromaticContact CD1-CZ 3.82Å; F55-Y229 HydrophobicContact CE1-CD1 4.3Å; F55-Y229 HydrophobicContact CE1-CD2 4.1Å; F55-Y229 AromaticContact CE1-CE1 3.94Å; F55-Y229 HydrophobicContact CE1-CE1 3.94Å; F55-Y229 AromaticContact CE1-CE2 3.71Å; F55-Y229 HydrophobicContact CE1-CE2 3.71Å; F55-Y229 HydrophobicContact CE1-CG 4.36Å; F55-Y229 AromaticContact CE1-CZ 3.62Å; F55-D232 HydrophobicContact CE2-CB 4.37Å; F55-D232 HydrophobicContact CZ-CB 4.21Å; F55-Y233 HydrophobicContact CZ-CD2 4.19Å
56	G	91.9	Very high	85.7	Confident	13 Å²	13	34.3 Å²	34.3	13%	0.134	17%	0.173	C	C	.	.	H	α-helix	trans	-59.9	-47	-175	0	0	0	0	0	112.4	Q58 I59 V60 D232	G56-Q58 PolarHBondContact O-N 2.95Å; G56-I59 WeakPolarHBondContact O-CA 3.23Å; G56-I59 WeakPolarHBondContact O-CB 3.41Å; G56-I59 PolarHBondContact O-N 3.04Å; G56-V60 WeakPolarHBondContact O-CG2 3.4Å; G56-V60 PolarHBondContact O-N 3.39Å; G56-D232 VanDerWaalsContact C-OD2 3.25Å; G56-D232 WeakPolarHBondContact CA-OD2 3.46Å
57	G	93	Very high	86.7	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-54.2	-36.8	176	0	0	0	0	0	113.6	F55 I59 V60 G61 Y229 D232	F55-G57 PolarHBondContact O-N 3.16Å; G57-I59 PolarHBondContact O-N 3.37Å; G57-V60 PolarHBondContact O-N 3.37Å; G57-G61 PolarHBondContact O-N 3.5Å; G57-Y229 WeakPolarHBondContact O-CA 3.39Å; G57-D232 PolarHBondContact N-OD2 3.45Å
58	Q	93.2	Very high	87.7	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64.2	-41.4	174.4	-174.1	174.3	-1.5	0	0	112.5	V31 H46 F55 G56 G61 Q62 Y229	V31-Q58 HydrophobicContact CG1-CG 3.93Å; V31-Q58 PolarHBondContact O-NE2 2.67Å; V31-Q58 VanDerWaalsContact O-NE2 3.09Å; H46-Q58 PolarHBondContact O-NE2 2.86Å; F55-Q58 HydrophobicContact CB-CB 4.43Å; F55-Q58 HydrophobicContact CD1-CB 4.14Å; F55-Q58 WeakPolarHBondContact O-CB 3.49Å; F55-Q58 PolarHBondContact O-N 2.77Å; G56-Q58 PolarHBondContact O-N 2.95Å; Q58-G61 PolarHBondContact O-N 2.99Å; Q58-Q62 HydrophobicContact CG-CG 4.38Å; Q58-Q62 VanDerWaalsContact NE2-NE2 3.16Å; Q58-Q62 WeakPolarHBondContact O-CB 3.44Å; Q58-Q62 WeakPolarHBondContact O-CG 3.31Å; Q58-Q62 PolarHBondContact O-N 3.06Å; Q58-Y229 HydrophobicContact CB-CD2 4.11Å; Q58-Y229 HydrophobicContact CB-CE2 4Å
59	I	96.6	Very high	89	Confident	6 Å²	6	31.4 Å²	31.4	3%	0.031	16%	0.163	C	C	.	.	H	α-helix	trans	-66.5	-42	178.5	-55.6	-56.3	0	0	0	110.9	L54 F55 G56 G57 A63 V94 Y96 A114 F122	L54-I59 HydrophobicContact CB-CD1 4.17Å; L54-I59 HydrophobicContact CB-CG1 4.3Å; L54-I59 HydrophobicContact CD1-CD1 3.8Å; F55-I59 PolarHBondContact O-N 2.86Å; G56-I59 WeakPolarHBondContact O-CA 3.23Å; G56-I59 WeakPolarHBondContact O-CB 3.41Å; G56-I59 PolarHBondContact O-N 3.04Å; G57-I59 PolarHBondContact O-N 3.37Å; I59-A63 VanDerWaalsContact O-CB 3.26Å; I59-A63 WeakPolarHBondContact O-CB 3.09Å; I59-A63 PolarHBondContact O-N 3.21Å; I59-V94 HydrophobicContact CD1-CG2 4.27Å; I59-Y96 WeakPolarHBondContact CD1-OH 3.38Å; I59-Y96 HydrophobicContact CG2-CE1 4.41Å; I59-A114 HydrophobicContact CG2-CB 4.23Å; I59-F122 HydrophobicContact CG2-CB 3.67Å; I59-F122 HydrophobicContact CG2-CD1 3.73Å; I59-F122 HydrophobicContact CG2-CD2 3.86Å; I59-F122 HydrophobicContact CG2-CE1 4.24Å; I59-F122 HydrophobicContact CG2-CE2 4.33Å; I59-F122 HydrophobicContact CG2-CG 3.51Å
60	V	98	Very high	90.3	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.006	15%	0.149	C	C	.	.	H	α-helix	trans	-62.6	-49.6	175.8	-174.9	0	0	0	0	110.5	G56 G57 A63 L64 L80 F84 F122 A228	G56-V60 WeakPolarHBondContact O-CG2 3.4Å; G56-V60 PolarHBondContact O-N 3.39Å; G57-V60 PolarHBondContact O-N 3.37Å; V60-A63 PolarHBondContact O-N 2.54Å; V60-L64 PolarHBondContact O-N 3.38Å; V60-L80 HydrophobicContact CG1-CD1 3.91Å; V60-L80 HydrophobicContact CG1-CD2 4.19Å; V60-F84 HydrophobicContact CG2-CE1 4.25Å; V60-F84 HydrophobicContact CG2-CZ 3.75Å; V60-F122 HydrophobicContact CB-CZ 4.44Å; V60-F122 HydrophobicContact CG2-CE2 3.83Å; V60-F122 HydrophobicContact CG2-CZ 4.03Å; V60-A228 HydrophobicContact CG1-CB 3.98Å
61	G	97.3	Very high	92.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-59.8	-48.5	179.5	0	0	0	0	0	112.5	G57 Q58 A63 L64 V65	G57-G61 PolarHBondContact O-N 3.5Å; Q58-G61 PolarHBondContact O-N 2.99Å; G61-A63 PolarHBondContact O-N 3.37Å; G61-L64 PolarHBondContact O-N 3.04Å; G61-V65 WeakPolarHBondContact O-CG2 3.29Å; G61-V65 PolarHBondContact O-N 3.39Å
62	Q	97.8	Very high	93.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64.5	-40	177.4	-77.1	-176.7	-11.9	0	0	112	V31 L32 L34 Q58 L64 V65 A66 Y96	V31-Q62 PolarHBondContact O-NE2 3.4Å; L32-Q62 HydrophobicContact CD2-CG 3.99Å; L34-Q62 HydrophobicContact CD1-CB 4.32Å; L34-Q62 VanDerWaalsContact CD1-O 3.28Å; L34-Q62 WeakPolarHBondContact CD1-O 3.22Å; L34-Q62 HydrophobicContact CD2-CB 4.07Å; L34-Q62 HydrophobicContact CD2-CG 3.93Å; L34-Q62 HydrophobicContact CG-CB 4.4Å; L34-Q62 HydrophobicContact CG-CG 4.37Å; Q58-Q62 HydrophobicContact CG-CG 4.38Å; Q58-Q62 VanDerWaalsContact NE2-NE2 3.16Å; Q58-Q62 WeakPolarHBondContact O-CB 3.44Å; Q58-Q62 WeakPolarHBondContact O-CG 3.31Å; Q58-Q62 PolarHBondContact O-N 3.06Å; Q62-L64 VanDerWaalsContact C-N 3.29Å; Q62-L64 PolarHBondContact O-N 2.9Å; Q62-V65 WeakPolarHBondContact O-CB 3.08Å; Q62-V65 PolarHBondContact O-N 2.99Å; Q62-A66 PolarHBondContact O-N 3.28Å; Q62-Y96 HydrophobicContact CB-CE1 3.91Å; Q62-Y96 HydrophobicContact CB-CE2 3.83Å; Q62-Y96 VanDerWaalsContact CB-CZ 3.45Å; Q62-Y96 WeakPolarHBondContact CB-OH 3.28Å; Q62-Y96 VanDerWaalsContact OE1-CE2 3.27Å; Q62-Y96 PolarHBondContact OE1-OH 3.4Å
63	A	98.6	Very high	94.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61.8	-39.6	175.1	0	0	0	0	0	111.9	I59 V60 G61 A66 A67 Y96 V112 F122 C124	I59-A63 VanDerWaalsContact O-CB 3.26Å; I59-A63 WeakPolarHBondContact O-CB 3.09Å; I59-A63 PolarHBondContact O-N 3.21Å; V60-A63 PolarHBondContact O-N 2.54Å; G61-A63 PolarHBondContact O-N 3.37Å; A63-A66 PolarHBondContact O-N 3.5Å; A63-A67 PolarHBondContact O-N 2.75Å; A63-Y96 HydrophobicContact CB-CD1 4Å; A63-Y96 HydrophobicContact CB-CE1 3.95Å; A63-V112 HydrophobicContact CB-CB 4.39Å; A63-V112 HydrophobicContact CB-CG1 3.99Å; A63-F122 HydrophobicContact CB-CD1 4.3Å; A63-F122 HydrophobicContact CB-CE1 3.5Å; A63-F122 VanDerWaalsContact CB-CE1 3.5Å; A63-F122 HydrophobicContact CB-CZ 4.26Å; A63-C124 HydrophobicContact CB-CB 4.46Å
64	L	98.6	Very high	95.2	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-68	-37.4	175.2	-174.5	58	0	0	0	112.1	V60 G61 Q62 A66 A67 A68 V77 L80 A126 F128 C224 A228 F261	V60-L64 PolarHBondContact O-N 3.38Å; G61-L64 PolarHBondContact O-N 3.04Å; Q62-L64 VanDerWaalsContact C-N 3.29Å; Q62-L64 PolarHBondContact O-N 2.9Å; L64-A66 PolarHBondContact O-N 2.83Å; L64-A67 PolarHBondContact O-N 3.19Å; L64-A68 WeakPolarHBondContact O-CB 3.38Å; L64-A68 PolarHBondContact O-N 2.88Å; L64-V77 HydrophobicContact CD1-CB 4.19Å; L64-V77 HydrophobicContact CD1-CG1 4.47Å; L64-V77 HydrophobicContact CD1-CG2 3.8Å; L64-V77 HydrophobicContact CD2-CG1 4.36Å; L64-L80 HydrophobicContact CD1-CD2 4.39Å; L64-L80 HydrophobicContact CD2-CD2 3.83Å; L64-L80 HydrophobicContact CG-CD2 4.48Å; L64-A126 HydrophobicContact CD1-CB 4.1Å; L64-F128 HydrophobicContact CD1-CZ 4.15Å; L64-C224 HydrophobicContact CD2-CB 4.37Å; L64-A228 HydrophobicContact CD2-CB 4.06Å; L64-F261 HydrophobicContact CD2-CE2 4.48Å; L64-F261 HydrophobicContact CD2-CZ 4.04Å
65	V	98.3	Very high	95.7	Very high	11 Å²	11	23.6 Å²	23.6	7%	0.067	13%	0.126	C	C	.	.	H	α-helix	trans	-58.1	-48.4	171.4	170.9	0	0	0	0	110.7	L32 L34 G61 Q62 A67 A68 K69 M222 C225	L32-V65 HydrophobicContact CB-CG2 4.2Å; L34-V65 HydrophobicContact CD1-CB 4.18Å; L34-V65 HydrophobicContact CD1-CG1 4.03Å; L34-V65 HydrophobicContact CG-CG1 4.3Å; G61-V65 WeakPolarHBondContact O-CG2 3.29Å; G61-V65 PolarHBondContact O-N 3.39Å; Q62-V65 WeakPolarHBondContact O-CB 3.08Å; Q62-V65 PolarHBondContact O-N 2.99Å; V65-A67 PolarHBondContact O-N 2.79Å; V65-A68 PolarHBondContact O-N 2.83Å; V65-K69 HydrophobicContact CG1-CD 4.26Å; V65-K69 WeakPolarHBondContact O-CG 3.45Å; V65-K69 PolarHBondContact O-N 2.9Å; V65-M222 HydrophobicContact CG2-CE 4.38Å; V65-C225 HydrophobicContact CG2-CB 3.68Å; V65-C225 VanDerWaalsContact CG2-SG 3.56Å
66	A	98.5	Very high	96	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-59.7	-46.1	178.5	0	0	0	0	0	111.5	L34 F42 Q62 A63 L64 K69 V98	L34-A66 HydrophobicContact CD1-CB 3.9Å; F42-A66 HydrophobicContact CD2-CB 3.66Å; F42-A66 HydrophobicContact CE2-CB 4.1Å; F42-A66 HydrophobicContact CG-CB 4.29Å; Q62-A66 PolarHBondContact O-N 3.28Å; A63-A66 PolarHBondContact O-N 3.5Å; L64-A66 PolarHBondContact O-N 2.83Å; A66-K69 PolarHBondContact O-N 3.11Å; A66-V98 HydrophobicContact CB-CG2 3.7Å
67	A	98.7	Very high	96.3	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.1	-46.3	175.3	0	0	0	0	0	112.1	A63 L64 V65 K69 S70 R110 V112 A126 F128	A63-A67 PolarHBondContact O-N 2.75Å; L64-A67 PolarHBondContact O-N 3.19Å; V65-A67 PolarHBondContact O-N 2.79Å; A67-K69 VanDerWaalsContact C-N 3.3Å; A67-K69 PolarHBondContact O-N 2.87Å; A67-S70 PolarHBondContact O-N 2.76Å; A67-S70 PolarHBondContact O-OG 2.91Å; A67-R110 HydrophobicContact CB-CB 3.9Å; A67-R110 HydrophobicContact CB-CG 4.34Å; A67-V112 HydrophobicContact CB-CG2 3.81Å; A67-A126 HydrophobicContact CB-CB 4.1Å; A67-F128 HydrophobicContact CB-CE2 3.99Å; A67-F128 HydrophobicContact CB-CZ 3.76Å
68	A	97.8	Very high	96.6	Very high	11 Å²	11	28.2 Å²	28.2	9%	0.091	15%	0.145	C	C	.	.	H	α-helix	trans	-64.7	-31.5	-178	0	0	0	0	0	113.2	L64 V65 S70 V71 F128 K221	L64-A68 WeakPolarHBondContact O-CB 3.38Å; L64-A68 PolarHBondContact O-N 2.88Å; V65-A68 PolarHBondContact O-N 2.83Å; A68-S70 PolarHBondContact O-N 2.86Å; A68-V71 VanDerWaalsContact O-CG2 3.22Å; A68-V71 WeakPolarHBondContact O-CG2 3.44Å; A68-F128 HydrophobicContact CB-CE1 4.17Å; A68-F128 HydrophobicContact CB-CZ 4.45Å; A68-K221 HydrophobicContact CB-CB 4.43Å; A68-K221 HydrophobicContact CB-CD 4.37Å
69	K	97.1	Very high	96.8	Very high	106 Å²	106	28.8 Å²	28.8	46%	0.461	15%	0.149	S	C	.	.	H	α-helix	trans	-70.2	-15.9	173.3	-74.6	-176.5	176.6	-171.6	0	113.9	L34 F42 V65 A66 A67	L34-K69 PolarHBondContact O-NZ 3.33Å; F42-K69 HydrophobicContact CD1-CD 4.21Å; F42-K69 HydrophobicContact CE1-CB 4.15Å; F42-K69 HydrophobicContact CE1-CD 3.61Å; F42-K69 HydrophobicContact CZ-CB 3.84Å; F42-K69 HydrophobicContact CZ-CD 4.17Å; V65-K69 HydrophobicContact CG1-CD 4.26Å; V65-K69 WeakPolarHBondContact O-CG 3.45Å; V65-K69 PolarHBondContact O-N 2.9Å; A66-K69 PolarHBondContact O-N 3.11Å; A67-K69 VanDerWaalsContact C-N 3.3Å; A67-K69 PolarHBondContact O-N 2.87Å
70	S	97.2	Very high	96.9	Very high	7 Å²	7	28.5 Å²	28.5	5%	0.049	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	10.2	-178.5	75.3	0	0	0	0	113.9	D40 A67 A68 R110	D40-S70 WeakPolarHBondContact OD1-CB 3.38Å; A67-S70 PolarHBondContact O-N 2.76Å; A67-S70 PolarHBondContact O-OG 2.91Å; A68-S70 PolarHBondContact O-N 2.86Å; S70-R110 PolarHBondContact O-NE 2.94Å; S70-R110 PolarHBondContact O-NH2 2.83Å; S70-R110 WeakPolarHBondContact OG-CD 3.45Å; S70-R110 WeakPolarHBondContact OG-CG 3.39Å; S70-R110 PolarHBondContact OG-NE 3.44Å
71	V	97.2	Very high	97	Very high	16 Å²	16	32 Å²	32	10%	0.097	16%	0.164	C	C	.	.	S	Bend	trans	-124.7	158.3	177.3	-62.9	0	0	0	0	110.2	A68 V75 R110 F128	A68-V71 VanDerWaalsContact O-CG2 3.22Å; A68-V71 WeakPolarHBondContact O-CG2 3.44Å; V71-V75 HydrophobicContact CB-CG2 3.58Å; V71-V75 HydrophobicContact CG1-CG2 4.34Å; V71-V75 HydrophobicContact CG2-CG2 3.79Å; V71-R110 HydrophobicContact CG1-CG 3.96Å; V71-F128 HydrophobicContact CG1-CD1 4.42Å; V71-F128 HydrophobicContact CG1-CD2 3.92Å; V71-F128 HydrophobicContact CG1-CE2 4.21Å; V71-F128 HydrophobicContact CG1-CG 4.05Å; V71-F128 HydrophobicContact CG2-CD1 3.8Å; V71-F128 HydrophobicContact CG2-CE1 3.92Å; V71-F128 HydrophobicContact CG2-CG 4.22Å; V71-F128 HydrophobicContact CG2-CZ 4.44Å
72	S	93.5	Very high	97.1	Very high	63 Å²	63	32.1 Å²	32.1	44%	0.441	17%	0.165	S	C	.	.			trans	-66.1	164.1	177.1	54.9	0	0	0	0	112.4	D74 V75 K221	S72-D74 VanDerWaalsContact C-N 3.29Å; S72-D74 WeakPolarHBondContact CB-OD1 3.41Å; S72-D74 PolarHBondContact O-N 2.83Å; S72-D74 PolarHBondContact OG-OD1 3.49Å; S72-V75 WeakPolarHBondContact O-CG2 3.26Å; S72-K221 PolarHBondContact O-NZ 2.95Å
73	E	90.4	Very high	97.1	Very high	154 Å²	154	38.7 Å²	38.7	72%	0.72	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-22.1	-178.4	-64.6	-58.1	165.6	0	0	114.7	V75 K221	E73-V75 VanDerWaalsContact C-N 3.34Å; E73-V75 PolarHBondContact O-N 3.41Å; E73-K221 IonicContact OE2-NZ 2.81Å; E73-K221 PolarHBondContact OE2-NZ 2.85Å
74	D	91.1	Very high	97.1	Very high	76 Å²	76	40.6 Å²	40.6	41%	0.406	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-7.9	-177.6	66.2	-48.8	0	0	0	114.3	S72 H76 Q130	S72-D74 VanDerWaalsContact C-N 3.29Å; S72-D74 WeakPolarHBondContact CB-OD1 3.41Å; S72-D74 PolarHBondContact O-N 2.83Å; S72-D74 PolarHBondContact OG-OD1 3.49Å; D74-H76 PolarHBondContact O-ND1 2.91Å; D74-Q130 PolarHBondContact OD2-NE2 2.98Å
75	V	95.2	Very high	97	Very high	8 Å²	8	43.7 Å²	43.7	5%	0.048	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	139.5	177.1	-57.4	0	0	0	0	112.1	V71 S72 E73 F128 Q129 Q130 K221	V71-V75 HydrophobicContact CB-CG2 3.58Å; V71-V75 HydrophobicContact CG1-CG2 4.34Å; V71-V75 HydrophobicContact CG2-CG2 3.79Å; S72-V75 WeakPolarHBondContact O-CG2 3.26Å; E73-V75 VanDerWaalsContact C-N 3.34Å; E73-V75 PolarHBondContact O-N 3.41Å; V75-F128 HydrophobicContact CB-CB 4.18Å; V75-F128 HydrophobicContact CG2-CB 4.03Å; V75-Q129 WeakPolarHBondContact CA-O 3.48Å; V75-Q130 HydrophobicContact CG1-CB 4.23Å; V75-K221 WeakPolarHBondContact O-CE 3.34Å
76	H	96.5	Very high	96.9	Very high	74 Å²	74	49.3 Å²	49.3	34%	0.343	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	142.4	-172.8	-60.3	74.8	0	0	0	109.5	D74 H78 F128 Q129	D74-H76 PolarHBondContact O-ND1 2.91Å; H76-H78 PolarHBondContact O-N 2.95Å; H76-F128 CarbonylContact O-C 3.53Å; H76-F128 WeakPolarHBondContact O-CA 3.18Å; H76-Q129 PolarHBondContact N-O 2.91Å; H76-Q129 PolarHBondContact O-N 3.37Å
77	V	98.4	Very high	96.6	Very high	11 Å²	11	52.7 Å²	52.7	7%	0.067	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	133.8	175.2	61.5	0	0	0	0	109.4	L64 S127 F128 C224 F261	L64-V77 HydrophobicContact CD1-CB 4.19Å; L64-V77 HydrophobicContact CD1-CG1 4.47Å; L64-V77 HydrophobicContact CD1-CG2 3.8Å; L64-V77 HydrophobicContact CD2-CG1 4.36Å; V77-S127 WeakPolarHBondContact CA-O 3.26Å; V77-F128 HydrophobicContact CB-CD1 3.89Å; V77-F128 HydrophobicContact CB-CE1 3.75Å; V77-F128 HydrophobicContact CB-CZ 4.41Å; V77-F128 HydrophobicContact CG2-CE1 4.44Å; V77-C224 HydrophobicContact CG1-CB 3.46Å; V77-C224 VanDerWaalsContact CG1-CB 3.46Å; V77-F261 HydrophobicContact CB-CD2 4.45Å; V77-F261 HydrophobicContact CG1-CD2 3.95Å; V77-F261 HydrophobicContact CG1-CE2 4.03Å; V77-F261 HydrophobicContact CG1-CG 4.29Å; V77-F261 HydrophobicContact CG1-CZ 4.42Å; V77-F261 HydrophobicContact CG2-CD2 3.86Å; V77-F261 HydrophobicContact CG2-CE2 3.75Å
78	H	98.3	Very high	96.2	Very high	47 Å²	47	53.3 Å²	53.3	22%	0.218	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	-18.8	172.7	71.8	83.4	0	0	0	112.2	H76 F107 S127 W260 F261	H76-H78 PolarHBondContact O-N 2.95Å; H78-F107 AromaticContact NE2-CD1 3.62Å; H78-F107 AromaticContact NE2-CE1 3.73Å; H78-S127 PolarHBondContact CD2-O 3.29Å; H78-S127 VanDerWaalsContact CD2-O 3.27Å; H78-S127 PolarHBondContact CE1-OG 3.13Å; H78-S127 PolarHBondContact N-O 3Å; H78-S127 VanDerWaalsContact NE2-CB 3.25Å; H78-S127 WeakPolarHBondContact NE2-CB 3.29Å; H78-S127 PolarHBondContact NE2-OG 3.11Å; H78-W260 CarbonylContact O-C 3.56Å; H78-W260 WeakPolarHBondContact O-CA 3.35Å; H78-F261 PolarHBondContact O-N 3.24Å
79	S	98.8	Very high	95.9	Very high	12 Å²	12	55.5 Å²	55.5	8%	0.084	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	158.5	169	67.9	0	0	0	0	113.6	A126 S127 M259	S79-A126 WeakPolarHBondContact O-CA 3.46Å; S79-S127 PolarHBondContact N-O 3.48Å; S79-S127 PolarHBondContact O-N 2.81Å; S79-M259 CarbonylContact C-O 3.54Å; S79-M259 WeakPolarHBondContact CA-O 3.4Å; S79-M259 WeakPolarHBondContact CB-O 3.47Å
80	L	98.8	Very high	95.5	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	151.6	163.8	67.8	88.3	0	0	0	111	V60 L64 Q125 A126 A228 S258 M259 F261	V60-L80 HydrophobicContact CG1-CD1 3.91Å; V60-L80 HydrophobicContact CG1-CD2 4.19Å; L64-L80 HydrophobicContact CD1-CD2 4.39Å; L64-L80 HydrophobicContact CD2-CD2 3.83Å; L64-L80 HydrophobicContact CG-CD2 4.48Å; L80-Q125 CarbonylContact C-O 3.57Å; L80-Q125 VanDerWaalsContact CA-O 3.25Å; L80-Q125 WeakPolarHBondContact CA-O 3.44Å; L80-A126 HydrophobicContact CB-CB 4.33Å; L80-A228 HydrophobicContact CD2-CB 4.36Å; L80-S258 CarbonylContact O-C 3.52Å; L80-S258 VanDerWaalsContact O-CA 3.3Å; L80-S258 WeakPolarHBondContact O-CA 3.5Å; L80-M259 HydrophobicContact CD1-CB 4.37Å; L80-M259 HydrophobicContact CD1-CG 4.14Å; L80-M259 HydrophobicContact CD1-SD 4.35Å; L80-M259 HydrophobicContact CD2-CB 4.42Å; L80-M259 HydrophobicContact CD2-SD 4Å; L80-M259 HydrophobicContact CG-CB 4.03Å; L80-M259 HydrophobicContact CG-CG 4.27Å; L80-M259 HydrophobicContact CG-SD 4.39Å; L80-M259 PolarHBondContact N-O 2.9Å; L80-M259 PolarHBondContact O-N 3.37Å; L80-F261 HydrophobicContact CD2-CE2 4.06Å; L80-F261 HydrophobicContact CD2-CZ 4.14Å
81	H	98.9	Very high	95.2	Very high	76 Å²	76	58.4 Å²	58.4	35%	0.352	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	131.2	174.9	-57.9	-83	0	0	0	109	C124 Q125 S258 W260	H81-C124 CarbonylContact O-C 3.51Å; H81-C124 VanDerWaalsContact O-CA 3.32Å; H81-C124 WeakPolarHBondContact O-CA 3.25Å; H81-Q125 PolarHBondContact N-O 2.92Å; H81-Q125 PolarHBondContact O-N 3.27Å; H81-S258 WeakPolarHBondContact ND1-CB 3.33Å; H81-S258 PolarHBondContact ND1-OG 2.85Å; H81-W260 AromaticContact CE1-CE2 3.78Å; H81-W260 AromaticContact CE1-CZ2 3.43Å; H81-W260 VanDerWaalsContact CE1-CZ2 3.43Å; H81-W260 WeakPolarHBondContact CE1-CZ2 3.44Å; H81-W260 AromaticContact CE1-NE1 4Å
82	C	98.8	Very high	94.9	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.014	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	159.3	-176.2	68.1	0	0	0	0	113.8	F122 I123 C124 D256 H257	C82-F122 HydrophobicContact CB-CD2 4.33Å; C82-F122 HydrophobicContact CB-CE1 4.15Å; C82-F122 HydrophobicContact CB-CE2 3.39Å; C82-F122 HydrophobicContact CB-CZ 3.26Å; C82-F122 WeakPolarHBondContact SG-CE2 3.32Å; C82-F122 VanDerWaalsContact SG-CZ 3.57Å; C82-I123 CarbonylContact C-O 3.57Å; C82-I123 WeakPolarHBondContact CA-O 3.46Å; C82-I123 WeakPolarHBondContact CB-O 3.25Å; C82-C124 HydrophobicContact CB-CB 3.75Å; C82-D256 CarbonylContact O-C 3.52Å; C82-D256 WeakPolarHBondContact O-CA 3.29Å; C82-D256 WeakPolarHBondContact O-CB 3.39Å; C82-H257 PolarHBondContact N-O 2.99Å; C82-H257 PolarHBondContact O-N 3.32Å; C82-H257 PolarHBondContact SG-O 3.5Å
83	Y	98.8	Very high	95	Very high	138 Å²	138	59 Å²	59	54%	0.541	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	134.5	174	-77.6	-87.1	0	0	0	110.7	V85 F122 I123 L255 D256	Y83-V85 PolarHBondContact O-N 2.94Å; Y83-F122 WeakPolarHBondContact O-CA 3.46Å; Y83-I123 PolarHBondContact N-O 2.86Å; Y83-I123 PolarHBondContact O-N 3.18Å; Y83-I123 VanDerWaalsContact O-N 3.11Å; Y83-L255 WeakPolarHBondContact CA-O 3.26Å; Y83-D256 HydrophobicContact CD1-CB 3.75Å; Y83-D256 HydrophobicContact CE1-CB 3.75Å; Y83-D256 HydrophobicContact CG-CB 4.3Å
84	F	98.1	Very high	95.4	Very high	40 Å²	40	51.7 Å²	51.7	18%	0.175	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	103.8	168.6	-60.9	-81.9	0	0	0	108.8	V60 F122 L255 H257	V60-F84 HydrophobicContact CG2-CE1 4.25Å; V60-F84 HydrophobicContact CG2-CZ 3.75Å; F84-F122 AromaticContact CD1-CD2 3.74Å; F84-F122 HydrophobicContact CD1-CD2 3.74Å; F84-F122 HydrophobicContact CD1-CE2 4.29Å; F84-F122 AromaticContact CE1-CD2 3.81Å; F84-F122 HydrophobicContact CE1-CD2 3.81Å; F84-F122 AromaticContact CE1-CE2 3.94Å; F84-F122 HydrophobicContact CE1-CE2 3.94Å; F84-F122 HydrophobicContact CG-CD2 4.34Å; F84-F122 HydrophobicContact CZ-CD2 4.49Å; F84-F122 HydrophobicContact CZ-CE2 4.23Å; F84-L255 PolarHBondContact N-O 3.21Å; F84-H257 HydrophobicContact CE2-CB 4.11Å
85	V	97.1	Very high	95.7	Very high	65 Å²	65	50.8 Å²	50.8	39%	0.394	27%	0.267	S	S	.	.			trans	-87.2	-39.1	-171.2	-170.6	0	0	0	0	111.5	Y83 I121 I123	Y83-V85 PolarHBondContact O-N 2.94Å; V85-I121 PolarHBondContact N-O 2.9Å; V85-I123 HydrophobicContact CG2-CD1 4.47Å; V85-I123 HydrophobicContact CG2-CG1 4.1Å; V85-I123 HydrophobicContact CG2-CG2 4.33Å
86	R	95.3	Very high	95.9	Very high	129 Å²	129	50.4 Å²	50.4	49%	0.487	27%	0.265	S	S	.	.	S	Bend	trans	-145.4	154.1	-177.6	-58.8	178.8	174	74.8	7.7	110.6	G88 P120 I121	R86-G88 PolarHBondContact O-N 3.47Å; R86-P120 PolarHBondContact NH1-O 2.81Å; R86-I121 HydrophobicContact CB-CB 4.41Å; R86-I121 HydrophobicContact CB-CG2 4.23Å; R86-I121 PolarHBondContact N-O 3.34Å
87	A	92.2	Very high	96	Very high	72 Å²	72	51 Å²	51	60%	0.595	27%	0.267	S	S	*	.	P	Polyproline II helix	trans	-64.7	128	170	0	0	0	0	0	109.8
88	G	91.1	Very high	96	Very high	13 Å²	13	51.2 Å²	51.2	13%	0.134	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-81.5	143.7	175.2	0	0	0	0	0	112.6	R86	R86-G88 PolarHBondContact O-N 3.47Å
89	D	91	Very high	96	Very high	57 Å²	57	54 Å²	54	31%	0.305	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-85.1	118.1	173.4	-173	-20.5	0	0	0	109.8	N91 V92 Q116	D89-N91 PolarHBondContact O-N 2.88Å; D89-N91 WeakPolarHBondContact OD1-CB 3.45Å; D89-N91 PolarHBondContact OD1-N 2.73Å; D89-N91 PolarHBondContact OD1-ND2 2.92Å; D89-V92 HydrophobicContact CB-CB 4.22Å; D89-V92 HydrophobicContact CB-CG2 4.03Å; D89-V92 PolarHBondContact O-N 2.69Å; D89-Q116 PolarHBondContact O-NE2 3.09Å
90	P	88.8	Confident	96	Very high	31 Å²	31	58.7 Å²	58.7	20%	0.201	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-16.8	179.8	27.2	-35.1	0	0	0	114.9	V49 L54 V92	V49-P90 HydrophobicContact CB-CB 4.29Å; V49-P90 HydrophobicContact CG1-CB 3.71Å; V49-P90 HydrophobicContact CG1-CG 3.93Å; V49-P90 HydrophobicContact CG2-CB 3.5Å; V49-P90 VanDerWaalsContact CG2-CB 3.5Å; L54-P90 HydrophobicContact CD2-CB 4.15Å; P90-V92 VanDerWaalsContact C-N 3.33Å
91	N	90.3	Very high	96	Very high	142 Å²	142	61.7 Å²	61.7	76%	0.759	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-3.7	-178.9	-52	-69.5	0	0	0	112.7	D89	D89-N91 PolarHBondContact O-N 2.88Å; D89-N91 WeakPolarHBondContact OD1-CB 3.45Å; D89-N91 PolarHBondContact OD1-N 2.73Å; D89-N91 PolarHBondContact OD1-ND2 2.92Å
92	V	92.6	Very high	95.9	Very high	32 Å²	32	64.3 Å²	64.3	19%	0.194	32%	0.323	C	S	.	.	S	Bend	trans	-118.4	128.5	-173.4	-179	0	0	0	0	109	D89 P90 Q116	D89-V92 HydrophobicContact CB-CB 4.22Å; D89-V92 HydrophobicContact CB-CG2 4.03Å; D89-V92 PolarHBondContact O-N 2.69Å; P90-V92 VanDerWaalsContact C-N 3.33Å; V92-Q116 HydrophobicContact CG1-CB 4.45Å; V92-Q116 HydrophobicContact CG1-CG 4.32Å; V92-Q116 PolarHBondContact O-NE2 3.28Å
93	P	95.1	Very high	95.9	Very high	61 Å²	61	68.9 Å²	68.9	40%	0.396	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-57	142.1	172.5	-25.9	35.5	0	0	0	112	R43 G44	R43-P93 HydrophobicContact CG-CB 4Å; G44-P93 WeakPolarHBondContact O-CB 3.46Å
94	V	97.4	Very high	95.7	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	126	174.6	-177.6	0	0	0	0	108.2	G44 Y47 L54 I59 Y96 A114 Q116 I121	G44-V94 PolarHBondContact N-O 2.81Å; Y47-V94 HydrophobicContact CE1-CB 4.48Å; Y47-V94 HydrophobicContact CE1-CG2 3.99Å; Y47-V94 VanDerWaalsContact OH-CB 3.23Å; Y47-V94 WeakPolarHBondContact OH-CB 3.42Å; Y47-V94 VanDerWaalsContact OH-CG2 3.31Å; Y47-V94 WeakPolarHBondContact OH-CG2 3.35Å; Y47-V94 PolarHBondContact OH-N 3.15Å; L54-V94 HydrophobicContact CD1-CG2 3.61Å; I59-V94 HydrophobicContact CD1-CG2 4.27Å; V94-Y96 HydrophobicContact CB-CE2 3.88Å; V94-Y96 HydrophobicContact CG1-CD2 4.24Å; V94-Y96 HydrophobicContact CG1-CE1 4.22Å; V94-Y96 HydrophobicContact CG1-CE2 3.63Å; V94-A114 HydrophobicContact CG1-CB 3.68Å; V94-Q116 HydrophobicContact CG2-CG 3.96Å; V94-I121 HydrophobicContact CG1-CD1 4.08Å; V94-I121 HydrophobicContact CG2-CD1 3.95Å
95	L	98.4	Very high	95.5	Very high	57 Å²	57	66.9 Å²	66.9	30%	0.298	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	126.9	173	-60.2	-179.1	0	0	0	109.6	L37 F42 R43 A114 V115	L37-L95 HydrophobicContact CD1-CD2 3.73Å; F42-L95 CarbonylContact O-C 3.53Å; F42-L95 WeakPolarHBondContact O-CA 3.47Å; R43-L95 HydrophobicContact CB-CD2 3.99Å; R43-L95 HydrophobicContact CG-CD2 4.22Å; L95-A114 CarbonylContact O-C 3.6Å; L95-A114 VanDerWaalsContact O-CA 3.28Å; L95-A114 WeakPolarHBondContact O-CA 3.5Å; L95-V115 PolarHBondContact N-O 3.13Å; L95-V115 PolarHBondContact O-N 2.73Å
96	Y	98.8	Very high	95.4	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	108.7	175.6	-64.7	-90.5	0	0	0	108.6	L34 F42 I59 Q62 A63 V94 V112 K113 A114	L34-Y96 HydrophobicContact CD1-CD2 4.22Å; L34-Y96 HydrophobicContact CD1-CG 4.48Å; L34-Y96 HydrophobicContact CD2-CD2 3.87Å; L34-Y96 HydrophobicContact CD2-CE2 3.91Å; F42-Y96 PolarHBondContact N-O 3.5Å; F42-Y96 PolarHBondContact O-N 3.22Å; I59-Y96 WeakPolarHBondContact CD1-OH 3.38Å; I59-Y96 HydrophobicContact CG2-CE1 4.41Å; Q62-Y96 HydrophobicContact CB-CE1 3.91Å; Q62-Y96 HydrophobicContact CB-CE2 3.83Å; Q62-Y96 VanDerWaalsContact CB-CZ 3.45Å; Q62-Y96 WeakPolarHBondContact CB-OH 3.28Å; Q62-Y96 VanDerWaalsContact OE1-CE2 3.27Å; Q62-Y96 PolarHBondContact OE1-OH 3.4Å; A63-Y96 HydrophobicContact CB-CD1 4Å; A63-Y96 HydrophobicContact CB-CE1 3.95Å; V94-Y96 HydrophobicContact CB-CE2 3.88Å; V94-Y96 HydrophobicContact CG1-CD2 4.24Å; V94-Y96 HydrophobicContact CG1-CE1 4.22Å; V94-Y96 HydrophobicContact CG1-CE2 3.63Å; Y96-V112 HydrophobicContact CD1-CG1 4.13Å; Y96-K113 WeakPolarHBondContact CA-O 3.48Å; Y96-A114 HydrophobicContact CD1-CB 3.9Å; Y96-A114 HydrophobicContact CE1-CB 3.68Å
97	Q	98.8	Very high	95.5	Very high	86 Å²	86	62.5 Å²	62.5	40%	0.402	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	120.8	176.5	-68.5	168.1	8.6	0	0	108.4	L41 V112 K113	L41-Q97 HydrophobicContact CD1-CG 3.65Å; Q97-V112 CarbonylContact O-C 3.51Å; Q97-V112 VanDerWaalsContact O-CA 3.31Å; Q97-V112 WeakPolarHBondContact O-CA 3.49Å; Q97-K113 HydrophobicContact CB-CB 4.49Å; Q97-K113 PolarHBondContact N-O 3.34Å; Q97-K113 PolarHBondContact O-N 2.84Å
98	V	98.9	Very high	95.8	Very high	16 Å²	16	59.2 Å²	59.2	10%	0.097	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	134.9	178.9	-173.6	0	0	0	0	109.1	D40 F42 A66 R110 S111 V112	D40-V98 HydrophobicContact CB-CB 3.97Å; D40-V98 WeakPolarHBondContact CB-O 3.41Å; D40-V98 PolarHBondContact O-N 2.82Å; F42-V98 HydrophobicContact CD2-CG2 4.16Å; F42-V98 HydrophobicContact CE2-CG2 3.95Å; A66-V98 HydrophobicContact CB-CG2 3.7Å; V98-R110 HydrophobicContact CG1-CB 4.15Å; V98-R110 HydrophobicContact CG1-CG 4.42Å; V98-S111 CarbonylContact C-O 3.49Å; V98-S111 WeakPolarHBondContact CA-O 3.29Å; V98-V112 HydrophobicContact CG1-CG2 4.37Å; V98-V112 HydrophobicContact CG2-CG1 4.4Å; V98-V112 HydrophobicContact CG2-CG2 4.12Å
99	E	98.7	Very high	96.1	Very high	106 Å²	106	60.1 Å²	60.1	50%	0.495	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	125.6	171.1	-175.1	-164.8	133.4	0	0	108.1	T101 R110 S111	E99-T101 PolarHBondContact O-N 2.9Å; E99-R110 WeakPolarHBondContact O-CA 3.21Å; E99-S111 PolarHBondContact N-O 3.1Å; E99-S111 PolarHBondContact O-N 2.96Å
100	R	98.4	Very high	96.5	Very high	110 Å²	110	57.7 Å²	57.7	42%	0.415	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	72.6	175.8	-55.7	-171.6	-172.4	174.4	7.1	110.6	E39 D40 R102	E39-R100 IonicContact OE1-CZ 3.37Å; E39-R100 IonicContact OE1-NH1 3.4Å; E39-R100 IonicContact OE1-NH2 2.8Å; E39-R100 PolarHBondContact OE1-NH2 2.88Å; D40-R100 IonicContact OD1-CZ 3.94Å; D40-R100 IonicContact OD1-NE 3.35Å; D40-R100 PolarHBondContact OD1-NE 3.26Å; D40-R100 IonicContact OD1-NH2 3.44Å; D40-R100 PolarHBondContact OD1-NH2 2.82Å; D40-R100 WeakPolarHBondContact OD2-CG 3.46Å; D40-R100 IonicContact OD2-CZ 2.93Å; D40-R100 IonicContact OD2-NE 3.59Å; D40-R100 PolarHBondContact OD2-NE 3.31Å; D40-R100 IonicContact OD2-NH2 2.7Å; D40-R100 PolarHBondContact OD2-NH2 3.4Å; R100-R102 PolarHBondContact O-N 3.46Å; R100-R102 VanDerWaalsContact O-N 3.15Å
101	T	98.2	Very high	97	Very high	62 Å²	62	57.1 Å²	57.1	38%	0.38	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	-37.5	-177.4	-56.6	0	0	0	0	112.6	E99 V109 S111	E99-T101 PolarHBondContact O-N 2.9Å; T101-V109 HydrophobicContact CG2-CG1 4.39Å; T101-V109 PolarHBondContact N-O 2.82Å; T101-S111 WeakPolarHBondContact OG1-CB 3.24Å; T101-S111 PolarHBondContact OG1-OG 2.9Å
102	R	97.6	Very high	97.4	Very high	132 Å²	132	50.4 Å²	50.4	50%	0.498	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	139.5	173.3	-177.2	177.8	173.3	-130.1	1	111.6	R100 S108 V109 R110	R100-R102 PolarHBondContact O-N 3.46Å; R100-R102 VanDerWaalsContact O-N 3.15Å; R102-S108 CarbonylContact O-C 3.57Å; R102-S108 WeakPolarHBondContact O-CA 3.14Å; R102-V109 HydrophobicContact CB-CB 4.25Å; R102-V109 HydrophobicContact CB-CG2 4.49Å; R102-V109 PolarHBondContact N-O 2.95Å; R102-V109 VanDerWaalsContact N-O 3.16Å; R102-V109 PolarHBondContact O-N 3.25Å; R102-R110 PolarHBondContact O-NH1 3.37Å
103	T	97.7	Very high	97.7	Very high	98 Å²	98	53.5 Å²	53.5	60%	0.601	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.8	102.9	164.3	-59	0	0	0	0	108	R110	T103-R110 PolarHBondContact OG1-NH1 2.86Å; T103-R110 PolarHBondContact OG1-NH2 2.92Å
104	G	95.4	Very high	97.8	Very high	26 Å²	26	50.6 Å²	50.6	27%	0.268	26%	0.264	S	S	.	.			trans	-107.1	176.7	177.4	0	0	0	0	0	112	F107	G104-F107 VanDerWaalsContact CA-O 3.26Å; G104-F107 WeakPolarHBondContact CA-O 3.4Å; G104-F107 PolarHBondContact N-O 2.98Å
105	S	92.9	Very high	97.9	Very high	109 Å²	109	51.1 Å²	51.1	76%	0.762	27%	0.268	S	S	*	.	S	Bend	trans	-66.1	-40.4	179.2	52.5	0	0	0	0	113.4
106	S	94.9	Very high	97.8	Very high	32 Å²	32	48.9 Å²	48.9	22%	0.224	26%	0.256	C	S	.	.	S	Bend	trans	-109.4	-26.9	-179.7	-53.5	0	0	0	0	113.7	Q129 Q130 Q132	S106-Q129 VanDerWaalsContact O-CA 3.29Å; S106-Q129 WeakPolarHBondContact O-CA 3.34Å; S106-Q130 PolarHBondContact O-N 3.26Å; S106-Q132 PolarHBondContact OG-NE2 2.98Å
107	F	97.8	Very high	97.7	Very high	70 Å²	70	55.5 Å²	55.5	31%	0.307	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	138.1	-175.1	-68	-87.9	0	0	0	111.7	H78 G104 F128 Q129	H78-F107 AromaticContact NE2-CD1 3.62Å; H78-F107 AromaticContact NE2-CE1 3.73Å; G104-F107 VanDerWaalsContact CA-O 3.26Å; G104-F107 WeakPolarHBondContact CA-O 3.4Å; G104-F107 PolarHBondContact N-O 2.98Å; F107-F128 CarbonylContact C-O 3.55Å; F107-F128 VanDerWaalsContact CA-O 3.26Å; F107-F128 WeakPolarHBondContact CA-O 3.3Å; F107-Q129 HydrophobicContact CD1-CB 3.86Å; F107-Q129 HydrophobicContact CD1-CG 3.81Å; F107-Q129 HydrophobicContact CE1-CB 3.71Å; F107-Q129 HydrophobicContact CE1-CG 3.37Å; F107-Q129 HydrophobicContact CE2-CG 4.31Å; F107-Q129 HydrophobicContact CG-CG 4.45Å; F107-Q129 HydrophobicContact CZ-CB 4.49Å; F107-Q129 VanDerWaalsContact CZ-CD 3.42Å; F107-Q129 HydrophobicContact CZ-CG 3.66Å
108	S	98.3	Very high	97.5	Very high	4 Å²	4	54.9 Å²	54.9	3%	0.028	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	139.3	172.8	-73.9	0	0	0	0	110.3	R102 S127 F128	R102-S108 CarbonylContact O-C 3.57Å; R102-S108 WeakPolarHBondContact O-CA 3.14Å; S108-S127 WeakPolarHBondContact O-CA 3.48Å; S108-F128 PolarHBondContact N-O 3.21Å; S108-F128 PolarHBondContact O-N 3.33Å
109	V	98.6	Very high	97.5	Very high	32 Å²	32	60.2 Å²	60.2	19%	0.194	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	133.9	178.1	-177.6	0	0	0	0	108.9	T101 R102 A126	T101-V109 HydrophobicContact CG2-CG1 4.39Å; T101-V109 PolarHBondContact N-O 2.82Å; R102-V109 HydrophobicContact CB-CB 4.25Å; R102-V109 HydrophobicContact CB-CG2 4.49Å; R102-V109 PolarHBondContact N-O 2.95Å; R102-V109 VanDerWaalsContact N-O 3.16Å; R102-V109 PolarHBondContact O-N 3.25Å; V109-A126 WeakPolarHBondContact CA-O 3.5Å
110	R	98.8	Very high	97.4	Very high	6 Å²	6	57.3 Å²	57.3	2%	0.023	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	129.1	175.6	-60.7	-61.3	178.5	-97.9	4.7	109.4	A67 S70 V71 V98 E99 R102 T103 Q125 A126 F128	A67-R110 HydrophobicContact CB-CB 3.9Å; A67-R110 HydrophobicContact CB-CG 4.34Å; S70-R110 PolarHBondContact O-NE 2.94Å; S70-R110 PolarHBondContact O-NH2 2.83Å; S70-R110 WeakPolarHBondContact OG-CD 3.45Å; S70-R110 WeakPolarHBondContact OG-CG 3.39Å; S70-R110 PolarHBondContact OG-NE 3.44Å; V71-R110 HydrophobicContact CG1-CG 3.96Å; V98-R110 HydrophobicContact CG1-CB 4.15Å; V98-R110 HydrophobicContact CG1-CG 4.42Å; E99-R110 WeakPolarHBondContact O-CA 3.21Å; R102-R110 PolarHBondContact O-NH1 3.37Å; T103-R110 PolarHBondContact OG1-NH1 2.86Å; T103-R110 PolarHBondContact OG1-NH2 2.92Å; R110-Q125 WeakPolarHBondContact O-CA 3.34Å; R110-A126 PolarHBondContact N-O 3.4Å; R110-A126 PolarHBondContact O-N 2.94Å; R110-F128 HydrophobicContact CB-CE2 4.21Å; R110-F128 HydrophobicContact CG-CD2 4.34Å; R110-F128 HydrophobicContact CG-CE2 3.9Å
111	S	98.8	Very high	97.4	Very high	19 Å²	19	52.5 Å²	52.5	13%	0.133	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	128.3	169.5	-62.6	0	0	0	0	108.5	V98 E99 T101 C124 Q125	V98-S111 CarbonylContact C-O 3.49Å; V98-S111 WeakPolarHBondContact CA-O 3.29Å; E99-S111 PolarHBondContact N-O 3.1Å; E99-S111 PolarHBondContact O-N 2.96Å; T101-S111 WeakPolarHBondContact OG1-CB 3.24Å; T101-S111 PolarHBondContact OG1-OG 2.9Å; S111-C124 CarbonylContact C-O 3.55Å; S111-C124 WeakPolarHBondContact CA-O 3.16Å; S111-Q125 PolarHBondContact OG-NE2 2.9Å
112	V	98.9	Very high	97.4	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	129.8	-178.5	-172.2	0	0	0	0	109.6	A63 A67 Y96 Q97 V98 I123 C124	A63-V112 HydrophobicContact CB-CB 4.39Å; A63-V112 HydrophobicContact CB-CG1 3.99Å; A67-V112 HydrophobicContact CB-CG2 3.81Å; Y96-V112 HydrophobicContact CD1-CG1 4.13Å; Q97-V112 CarbonylContact O-C 3.51Å; Q97-V112 VanDerWaalsContact O-CA 3.31Å; Q97-V112 WeakPolarHBondContact O-CA 3.49Å; V98-V112 HydrophobicContact CG1-CG2 4.37Å; V98-V112 HydrophobicContact CG2-CG1 4.4Å; V98-V112 HydrophobicContact CG2-CG2 4.12Å; V112-I123 CarbonylContact O-C 3.58Å; V112-I123 WeakPolarHBondContact O-CA 3.32Å; V112-C124 HydrophobicContact CB-CB 4.41Å; V112-C124 PolarHBondContact N-O 3.39Å; V112-C124 PolarHBondContact O-N 2.95Å
113	K	98.7	Very high	97.5	Very high	96 Å²	96	46.6 Å²	46.6	42%	0.417	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	123.5	169.7	-65.3	175.6	-174.8	161.2	0	108.8	Y96 Q97 V115 I123	Y96-K113 WeakPolarHBondContact CA-O 3.48Å; Q97-K113 HydrophobicContact CB-CB 4.49Å; Q97-K113 PolarHBondContact N-O 3.34Å; Q97-K113 PolarHBondContact O-N 2.84Å; K113-V115 HydrophobicContact CB-CG2 4.17Å; K113-I123 HydrophobicContact CG-CG2 4.23Å
114	A	98.4	Very high	97.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	124.4	168.1	0	0	0	0	0	108.8	I59 V94 L95 Y96 P120 I121 F122	I59-A114 HydrophobicContact CG2-CB 4.23Å; V94-A114 HydrophobicContact CG1-CB 3.68Å; L95-A114 CarbonylContact O-C 3.6Å; L95-A114 VanDerWaalsContact O-CA 3.28Å; L95-A114 WeakPolarHBondContact O-CA 3.5Å; Y96-A114 HydrophobicContact CD1-CB 3.9Å; Y96-A114 HydrophobicContact CE1-CB 3.68Å; A114-P120 CarbonylContact O-C 3.54Å; A114-P120 WeakPolarHBondContact O-CA 3.11Å; A114-I121 HydrophobicContact CB-CG1 4.11Å; A114-I121 WeakPolarHBondContact O-CG1 3.47Å; A114-I121 PolarHBondContact O-N 3.42Å; A114-F122 HydrophobicContact CB-CB 3.96Å; A114-F122 HydrophobicContact CB-CD1 4.01Å; A114-F122 HydrophobicContact CB-CG 4.45Å; A114-F122 PolarHBondContact N-O 2.86Å; A114-F122 PolarHBondContact O-N 3.49Å
115	V	98.3	Very high	97.7	Very high	12 Å²	12	45.9 Å²	45.9	7%	0.073	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	135.3	-166.9	-179.5	0	0	0	0	110.7	L95 K113 K119	L95-V115 PolarHBondContact N-O 3.13Å; L95-V115 PolarHBondContact O-N 2.73Å; K113-V115 HydrophobicContact CB-CG2 4.17Å; V115-K119 WeakPolarHBondContact CA-O 3.12Å
116	Q	97.1	Very high	98	Very high	10 Å²	10	40.8 Å²	40.8	5%	0.047	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	142.5	166.3	-71.4	-176.6	-40.7	0	0	109.2	D89 V92 V94 G118 K119 I121	D89-Q116 PolarHBondContact O-NE2 3.09Å; V92-Q116 HydrophobicContact CG1-CB 4.45Å; V92-Q116 HydrophobicContact CG1-CG 4.32Å; V92-Q116 PolarHBondContact O-NE2 3.28Å; V94-Q116 HydrophobicContact CG2-CG 3.96Å; Q116-G118 PolarHBondContact O-N 3.17Å; Q116-G118 VanDerWaalsContact O-N 3.11Å; Q116-K119 PolarHBondContact N-O 3.46Å; Q116-K119 PolarHBondContact O-N 3.39Å; Q116-I121 HydrophobicContact CB-CG2 4.02Å; Q116-I121 HydrophobicContact CG-CD1 4.09Å; Q116-I121 HydrophobicContact CG-CG2 4.38Å
117	H	95.6	Very high	98.1	Very high	139 Å²	139	40.2 Å²	40.2	64%	0.644	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.3	37.3	-177.7	-52.8	-70.3	0	0	0	113.9	K119	H117-K119 PolarHBondContact O-N 3.49Å
118	G	96	Very high	98.2	Very high	73 Å²	73	36.9 Å²	36.9	75%	0.753	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.6	7.9	-177.3	0	0	0	0	0	115.2	Q116	Q116-G118 PolarHBondContact O-N 3.17Å; Q116-G118 VanDerWaalsContact O-N 3.11Å
119	K	97.5	Very high	98.2	Very high	128 Å²	128	39.5 Å²	39.5	56%	0.557	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-116.3	133.9	-179.7	-64.4	178.1	-174.9	175.7	0	110.6	V115 Q116 H117 I121	V115-K119 WeakPolarHBondContact CA-O 3.12Å; Q116-K119 PolarHBondContact N-O 3.46Å; Q116-K119 PolarHBondContact O-N 3.39Å; H117-K119 PolarHBondContact O-N 3.49Å; K119-I121 PolarHBondContact O-N 2.99Å
120	P	97.7	Very high	98	Very high	44 Å²	44	41.4 Å²	41.4	29%	0.286	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	125.8	171.8	-23.4	33.5	0	0	0	110.7	R86 A114 I123	R86-P120 PolarHBondContact NH1-O 2.81Å; A114-P120 CarbonylContact O-C 3.54Å; A114-P120 WeakPolarHBondContact O-CA 3.11Å; P120-I123 HydrophobicContact CB-CG2 4.34Å
121	I	97.8	Very high	97.6	Very high	10 Å²	10	45 Å²	45	5%	0.051	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-23.5	169.8	63.1	164.8	0	0	0	111.1	L54 V85 R86 V94 A114 Q116 K119	L54-I121 HydrophobicContact CD1-CD1 4.11Å; V85-I121 PolarHBondContact N-O 2.9Å; R86-I121 HydrophobicContact CB-CB 4.41Å; R86-I121 HydrophobicContact CB-CG2 4.23Å; R86-I121 PolarHBondContact N-O 3.34Å; V94-I121 HydrophobicContact CG1-CD1 4.08Å; V94-I121 HydrophobicContact CG2-CD1 3.95Å; A114-I121 HydrophobicContact CB-CG1 4.11Å; A114-I121 WeakPolarHBondContact O-CG1 3.47Å; A114-I121 PolarHBondContact O-N 3.42Å; Q116-I121 HydrophobicContact CB-CG2 4.02Å; Q116-I121 HydrophobicContact CG-CD1 4.09Å; Q116-I121 HydrophobicContact CG-CG2 4.38Å; K119-I121 PolarHBondContact O-N 2.99Å
122	F	98.6	Very high	97.3	Very high	1 Å²	1	48.7 Å²	48.7	0%	0.004	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	145.4	-177.9	166.2	-84	0	0	0	110.4	I59 V60 A63 C82 Y83 F84 A114 C124	I59-F122 HydrophobicContact CG2-CB 3.67Å; I59-F122 HydrophobicContact CG2-CD1 3.73Å; I59-F122 HydrophobicContact CG2-CD2 3.86Å; I59-F122 HydrophobicContact CG2-CE1 4.24Å; I59-F122 HydrophobicContact CG2-CE2 4.33Å; I59-F122 HydrophobicContact CG2-CG 3.51Å; V60-F122 HydrophobicContact CB-CZ 4.44Å; V60-F122 HydrophobicContact CG2-CE2 3.83Å; V60-F122 HydrophobicContact CG2-CZ 4.03Å; A63-F122 HydrophobicContact CB-CD1 4.3Å; A63-F122 HydrophobicContact CB-CE1 3.5Å; A63-F122 VanDerWaalsContact CB-CE1 3.5Å; A63-F122 HydrophobicContact CB-CZ 4.26Å; C82-F122 HydrophobicContact CB-CD2 4.33Å; C82-F122 HydrophobicContact CB-CE1 4.15Å; C82-F122 HydrophobicContact CB-CE2 3.39Å; C82-F122 HydrophobicContact CB-CZ 3.26Å; C82-F122 WeakPolarHBondContact SG-CE2 3.32Å; C82-F122 VanDerWaalsContact SG-CZ 3.57Å; Y83-F122 WeakPolarHBondContact O-CA 3.46Å; F84-F122 AromaticContact CD1-CD2 3.74Å; F84-F122 HydrophobicContact CD1-CD2 3.74Å; F84-F122 HydrophobicContact CD1-CE2 4.29Å; F84-F122 AromaticContact CE1-CD2 3.81Å; F84-F122 HydrophobicContact CE1-CD2 3.81Å; F84-F122 AromaticContact CE1-CE2 3.94Å; F84-F122 HydrophobicContact CE1-CE2 3.94Å; F84-F122 HydrophobicContact CG-CD2 4.34Å; F84-F122 HydrophobicContact CZ-CD2 4.49Å; F84-F122 HydrophobicContact CZ-CE2 4.23Å; A114-F122 HydrophobicContact CB-CB 3.96Å; A114-F122 HydrophobicContact CB-CD1 4.01Å; A114-F122 HydrophobicContact CB-CG 4.45Å; A114-F122 PolarHBondContact N-O 2.86Å; A114-F122 PolarHBondContact O-N 3.49Å; F122-C124 HydrophobicContact CD1-CB 4.35Å; F122-C124 HydrophobicContact CE1-CB 3.38Å; F122-C124 HydrophobicContact CZ-CB 3.74Å
123	I	98.8	Very high	96.9	Very high	68 Å²	68	55.2 Å²	55.2	35%	0.349	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	140.2	175.8	59.5	175	0	0	0	109.3	C82 Y83 V85 V112 K113 P120	C82-I123 CarbonylContact C-O 3.57Å; C82-I123 WeakPolarHBondContact CA-O 3.46Å; C82-I123 WeakPolarHBondContact CB-O 3.25Å; Y83-I123 PolarHBondContact N-O 2.86Å; Y83-I123 PolarHBondContact O-N 3.18Å; Y83-I123 VanDerWaalsContact O-N 3.11Å; V85-I123 HydrophobicContact CG2-CD1 4.47Å; V85-I123 HydrophobicContact CG2-CG1 4.1Å; V85-I123 HydrophobicContact CG2-CG2 4.33Å; V112-I123 CarbonylContact O-C 3.58Å; V112-I123 WeakPolarHBondContact O-CA 3.32Å; K113-I123 HydrophobicContact CG-CG2 4.23Å; P120-I123 HydrophobicContact CB-CG2 4.34Å
124	C	98.8	Very high	96.6	Very high	5 Å²	5	53.6 Å²	53.6	3%	0.034	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	143.2	-178.7	175.3	0	0	0	0	110.8	A63 H81 C82 S111 V112 F122	A63-C124 HydrophobicContact CB-CB 4.46Å; H81-C124 CarbonylContact O-C 3.51Å; H81-C124 VanDerWaalsContact O-CA 3.32Å; H81-C124 WeakPolarHBondContact O-CA 3.25Å; C82-C124 HydrophobicContact CB-CB 3.75Å; S111-C124 CarbonylContact C-O 3.55Å; S111-C124 WeakPolarHBondContact CA-O 3.16Å; V112-C124 HydrophobicContact CB-CB 4.41Å; V112-C124 PolarHBondContact N-O 3.39Å; V112-C124 PolarHBondContact O-N 2.95Å; F122-C124 HydrophobicContact CD1-CB 4.35Å; F122-C124 HydrophobicContact CE1-CB 3.38Å; F122-C124 HydrophobicContact CZ-CB 3.74Å
125	Q	98.8	Very high	96.4	Very high	105 Å²	105	59.8 Å²	59.8	49%	0.491	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	127.3	162	-63.8	-163.3	-54.8	0	0	108.6	L80 H81 R110 S111	L80-Q125 CarbonylContact C-O 3.57Å; L80-Q125 VanDerWaalsContact CA-O 3.25Å; L80-Q125 WeakPolarHBondContact CA-O 3.44Å; H81-Q125 PolarHBondContact N-O 2.92Å; H81-Q125 PolarHBondContact O-N 3.27Å; R110-Q125 WeakPolarHBondContact O-CA 3.34Å; S111-Q125 PolarHBondContact OG-NE2 2.9Å
126	A	98.9	Very high	96.3	Very high	1 Å²	1	66.9 Å²	66.9	1%	0.008	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	133.5	176.5	0	0	0	0	0	109.8	L64 A67 S79 L80 V109 R110 F128	L64-A126 HydrophobicContact CD1-CB 4.1Å; A67-A126 HydrophobicContact CB-CB 4.1Å; S79-A126 WeakPolarHBondContact O-CA 3.46Å; L80-A126 HydrophobicContact CB-CB 4.33Å; V109-A126 WeakPolarHBondContact CA-O 3.5Å; R110-A126 PolarHBondContact N-O 3.4Å; R110-A126 PolarHBondContact O-N 2.94Å; A126-F128 HydrophobicContact CB-CE2 3.69Å; A126-F128 HydrophobicContact CB-CZ 4.08Å
127	S	98.8	Very high	96.2	Very high	20 Å²	20	74.4 Å²	74.4	14%	0.14	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	134.5	178.4	-168.1	0	0	0	0	110.3	V77 H78 S79 S108	V77-S127 WeakPolarHBondContact CA-O 3.26Å; H78-S127 PolarHBondContact CD2-O 3.29Å; H78-S127 VanDerWaalsContact CD2-O 3.27Å; H78-S127 PolarHBondContact CE1-OG 3.13Å; H78-S127 PolarHBondContact N-O 3Å; H78-S127 VanDerWaalsContact NE2-CB 3.25Å; H78-S127 WeakPolarHBondContact NE2-CB 3.29Å; H78-S127 PolarHBondContact NE2-OG 3.11Å; S79-S127 PolarHBondContact N-O 3.48Å; S79-S127 PolarHBondContact O-N 2.81Å; S108-S127 WeakPolarHBondContact O-CA 3.48Å
128	F	98.8	Very high	96.3	Very high	1 Å²	1	76.7 Å²	76.7	0%	0.004	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	143.8	-175.6	-58.9	-101.2	0	0	0	109.6	L64 A67 A68 V71 V75 H76 V77 F107 S108 R110 A126	L64-F128 HydrophobicContact CD1-CZ 4.15Å; A67-F128 HydrophobicContact CB-CE2 3.99Å; A67-F128 HydrophobicContact CB-CZ 3.76Å; A68-F128 HydrophobicContact CB-CE1 4.17Å; A68-F128 HydrophobicContact CB-CZ 4.45Å; V71-F128 HydrophobicContact CG1-CD1 4.42Å; V71-F128 HydrophobicContact CG1-CD2 3.92Å; V71-F128 HydrophobicContact CG1-CE2 4.21Å; V71-F128 HydrophobicContact CG1-CG 4.05Å; V71-F128 HydrophobicContact CG2-CD1 3.8Å; V71-F128 HydrophobicContact CG2-CE1 3.92Å; V71-F128 HydrophobicContact CG2-CG 4.22Å; V71-F128 HydrophobicContact CG2-CZ 4.44Å; V75-F128 HydrophobicContact CB-CB 4.18Å; V75-F128 HydrophobicContact CG2-CB 4.03Å; H76-F128 CarbonylContact O-C 3.53Å; H76-F128 WeakPolarHBondContact O-CA 3.18Å; V77-F128 HydrophobicContact CB-CD1 3.89Å; V77-F128 HydrophobicContact CB-CE1 3.75Å; V77-F128 HydrophobicContact CB-CZ 4.41Å; V77-F128 HydrophobicContact CG2-CE1 4.44Å; F107-F128 CarbonylContact C-O 3.55Å; F107-F128 VanDerWaalsContact CA-O 3.26Å; F107-F128 WeakPolarHBondContact CA-O 3.3Å; S108-F128 PolarHBondContact N-O 3.21Å; S108-F128 PolarHBondContact O-N 3.33Å; R110-F128 HydrophobicContact CB-CE2 4.21Å; R110-F128 HydrophobicContact CG-CD2 4.34Å; R110-F128 HydrophobicContact CG-CE2 3.9Å; A126-F128 HydrophobicContact CB-CE2 3.69Å; A126-F128 HydrophobicContact CB-CZ 4.08Å
129	Q	97.8	Very high	96.4	Very high	59 Å²	59	77.4 Å²	77.4	28%	0.276	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	143.2	-178.2	-168.9	-173.3	-7.5	0	0	110.8	V75 H76 S106 F107 Q132	V75-Q129 WeakPolarHBondContact CA-O 3.48Å; H76-Q129 PolarHBondContact N-O 2.91Å; H76-Q129 PolarHBondContact O-N 3.37Å; S106-Q129 VanDerWaalsContact O-CA 3.29Å; S106-Q129 WeakPolarHBondContact O-CA 3.34Å; F107-Q129 HydrophobicContact CD1-CB 3.86Å; F107-Q129 HydrophobicContact CD1-CG 3.81Å; F107-Q129 HydrophobicContact CE1-CB 3.71Å; F107-Q129 HydrophobicContact CE1-CG 3.37Å; F107-Q129 HydrophobicContact CE2-CG 4.31Å; F107-Q129 HydrophobicContact CG-CG 4.45Å; F107-Q129 HydrophobicContact CZ-CB 4.49Å; F107-Q129 VanDerWaalsContact CZ-CD 3.42Å; F107-Q129 HydrophobicContact CZ-CG 3.66Å; Q129-Q132 VanDerWaalsContact NE2-OE1 3.14Å
130	Q	95.9	Very high	96.4	Very high	72 Å²	72	78.4 Å²	78.4	34%	0.336	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	142.2	167.2	-166.9	176.9	52.9	0	0	110.6	D74 V75 S106 Q132	D74-Q130 PolarHBondContact OD2-NE2 2.98Å; V75-Q130 HydrophobicContact CG1-CB 4.23Å; S106-Q130 PolarHBondContact O-N 3.26Å; Q130-Q132 WeakPolarHBondContact O-CG 3.36Å; Q130-Q132 PolarHBondContact O-N 3.35Å
131	A	90.4	Very high	96.4	Very high	81 Å²	81	81.5 Å²	81.5	67%	0.669	44%	0.441	S	S	*	.			trans	-61.6	127.5	176.7	0	0	0	0	0	111.2
132	Q	90.8	Very high	96.5	Very high	96 Å²	96	83.1 Å²	83.1	45%	0.449	45%	0.449	S	S	.	.			trans	-141.4	134.5	-176.3	-69.9	174.2	-32.9	0	0	110	S106 Q129 Q130	S106-Q132 PolarHBondContact OG-NE2 2.98Å; Q129-Q132 VanDerWaalsContact NE2-OE1 3.14Å; Q130-Q132 WeakPolarHBondContact O-CG 3.36Å; Q130-Q132 PolarHBondContact O-N 3.35Å
133	P	90.7	Very high	96.4	Very high	138 Å²	138	84.4 Å²	84.4	90%	0.896	46%	0.458	S	S	*	.			trans	-71.7	145.1	177.6	29.4	-33.8	0	0	0	111.4
134	S	92.6	Very high	96.3	Very high	62 Å²	62	88.3 Å²	88.3	43%	0.434	49%	0.485	S	S	.	.			trans	-143	135.6	172.3	177	0	0	0	0	110.6	M136 Q137	S134-M136 VanDerWaalsContact C-N 3.28Å; S134-M136 PolarHBondContact OG-N 2.86Å; S134-Q137 PolarHBondContact O-NE2 3.07Å
135	P	94.3	Very high	96.3	Very high	131 Å²	131	89.5 Å²	89.5	85%	0.851	49%	0.492	S	S	*	.	S	Bend	trans	-76.5	-14.6	173.1	32.5	-35.2	0	0	0	112.9	Q137	P135-Q137 PolarHBondContact O-N 3.3Å
136	M	96.1	Very high	96.2	Very high	161 Å²	161	86.7 Å²	86.7	79%	0.793	48%	0.483	S	S	*	.			trans	-85.6	107.6	-179.5	-65.1	-178.8	68.2	0	0	110.3	S134	S134-M136 VanDerWaalsContact C-N 3.28Å; S134-M136 PolarHBondContact OG-N 2.86Å
137	Q	95.6	Very high	96.1	Very high	168 Å²	168	88.9 Å²	88.9	79%	0.785	50%	0.497	S	S	*	.			trans	-141.5	130	-178.9	-59.5	-178.4	23.1	0	0	110.4	S134 P135	S134-Q137 PolarHBondContact O-NE2 3.07Å; P135-Q137 PolarHBondContact O-N 3.3Å
138	H	97.5	Very high	96	Very high	186 Å²	186	88 Å²	88	86%	0.861	49%	0.49	S	S	*	.			trans	-158.5	159.3	168	64.7	-89.1	0	0	0	108.7
139	Q	98.3	Very high	95.8	Very high	89 Å²	89	94.1 Å²	94.1	42%	0.416	52%	0.519	S	S	.	.			trans	-152.9	168.4	170.8	52.8	162.8	75.5	0	0	108.8	G296 L298	Q139-G296 PolarHBondContact NE2-O 2.78Å; Q139-L298 HydrophobicContact CB-CB 4.23Å
140	F	97.9	Very high	95.7	Very high	148 Å²	148	98.2 Å²	98.2	65%	0.649	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-67.7	160.7	164.7	-69.8	-76.5	0	0	0	110.6	W292	F140-W292 HydrophobicContact CB-CH2 3.81Å; F140-W292 WeakPolarHBondContact O-CH2 3.37Å; F140-W292 VanDerWaalsContact O-CZ3 3.31Å; F140-W292 WeakPolarHBondContact O-CZ3 3.46Å
141	S	98.3	Very high	95.6	Very high	110 Å²	110	96 Å²	96	77%	0.769	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-78.8	137.4	169.8	-56.7	0	0	0	0	110.3
142	M	98.4	Very high	95.7	Very high	44 Å²	44	95.8 Å²	95.8	22%	0.217	52%	0.516	C	S	.	.	P	Polyproline II helix	trans	-62.4	137.4	172.7	-177.2	177.8	131	0	0	110.2	W208 L272 W292 R293	M142-W208 HydrophobicContact CE-CH2 3.81Å; M142-W208 HydrophobicContact CE-CZ2 4.16Å; M142-L272 HydrophobicContact CE-CB 4.4Å; M142-L272 HydrophobicContact CE-CD2 3.9Å; M142-L272 HydrophobicContact CG-CD2 4.02Å; M142-L272 HydrophobicContact SD-CD2 4.37Å; M142-W292 HydrophobicContact CB-CD2 3.97Å; M142-W292 HydrophobicContact CB-CE3 3.69Å; M142-W292 HydrophobicContact CB-CG 4.38Å; M142-W292 HydrophobicContact CB-CZ3 4.06Å; M142-W292 HydrophobicContact CG-CB 3.91Å; M142-W292 HydrophobicContact CG-CD2 3.94Å; M142-W292 HydrophobicContact CG-CE3 4.15Å; M142-W292 HydrophobicContact CG-CG 3.85Å; M142-W292 HydrophobicContact SD-CB 3.65Å; M142-W292 HydrophobicContact SD-CG 4.26Å; M142-R293 VanDerWaalsContact SD-O 3.33Å
143	P	97.6	Very high	95.5	Very high	28 Å²	28	94.2 Å²	94.2	18%	0.182	51%	0.511	C	S	.	.	P	Polyproline II helix	trans	-62.3	143.6	174.3	-21.3	32	0	0	0	112.7	V145 M206 E274	P143-V145 PolarHBondContact O-N 2.86Å; P143-M206 HydrophobicContact CB-CE 3.85Å; P143-M206 HydrophobicContact CB-SD 4.12Å; P143-M206 HydrophobicContact CG-CE 3.93Å; P143-M206 HydrophobicContact CG-SD 4.4Å; P143-E274 WeakPolarHBondContact CG-OE1 3.35Å
144	T	97	Very high	95.2	Very high	150 Å²	150	89.8 Å²	89.8	92%	0.92	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-73.9	118.8	172.2	-51.9	0	0	0	0	110.3
145	V	97.2	Very high	94.8	Very high	30 Å²	30	92.3 Å²	92.3	18%	0.182	49%	0.487	C	S	.	.			trans	-139.6	158.6	177.7	-63.3	0	0	0	0	110.2	P143 I190 M206 W208 L272	P143-V145 PolarHBondContact O-N 2.86Å; V145-I190 HydrophobicContact CB-CD1 4.15Å; V145-I190 HydrophobicContact CB-CG1 4.44Å; V145-I190 HydrophobicContact CG1-CG1 4.42Å; V145-I190 HydrophobicContact CG1-CG2 4.5Å; V145-I190 HydrophobicContact CG2-CD1 4.44Å; V145-M206 HydrophobicContact CG1-SD 3.61Å; V145-W208 HydrophobicContact CG2-CZ2 3.89Å; V145-L272 HydrophobicContact CG1-CD2 4.38Å; V145-L272 HydrophobicContact CG2-CD1 3.94Å; V145-L272 HydrophobicContact CG2-CD2 3.83Å; V145-L272 HydrophobicContact CG2-CG 4.48Å
146	P	97.3	Very high	94.5	Very high	46 Å²	46	88.7 Å²	88.7	30%	0.299	46%	0.463	S	S	.	.			trans	-57.3	144.2	170.8	-23.8	34.2	0	0	0	111.7	L151 W208	P146-L151 HydrophobicContact CB-CD2 4.15Å; P146-L151 HydrophobicContact CB-CG 4.45Å; P146-W208 PolarHBondContact O-NE1 3.37Å
147	P	96.6	Very high	94.1	Very high	47 Å²	47	81.6 Å²	81.6	31%	0.305	43%	0.428	S	S	.	.			trans	-66.9	155.9	175.9	32	-37	0	0	0	110.9	E149 E150	P147-E149 WeakPolarHBondContact CB-OE2 3.4Å; P147-E149 PolarHBondContact O-N 3.29Å; P147-E149 VanDerWaalsContact O-N 3.13Å; P147-E150 HydrophobicContact CG-CB 4.39Å; P147-E150 HydrophobicContact CG-CG 3.88Å; P147-E150 WeakPolarHBondContact CG-OE1 3.49Å; P147-E150 PolarHBondContact O-N 2.93Å; P147-E150 VanDerWaalsContact O-N 3.13Å
148	P	96.4	Very high	93.6	Very high	1 Å²	1	74.1 Å²	74.1	1%	0.006	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-60.8	-25.4	-175.6	22.2	-29.9	0	0	0	113.4	E150 L151 K188 W208 W270	P148-E150 VanDerWaalsContact C-N 3.27Å; P148-E150 PolarHBondContact O-N 3.33Å; P148-L151 PolarHBondContact O-N 3.37Å; P148-K188 HydrophobicContact CB-CD 4.15Å; P148-K188 WeakPolarHBondContact O-CD 3.5Å; P148-K188 PolarHBondContact O-NZ 3.49Å; P148-W208 HydrophobicContact CB-CB 4.06Å; P148-W208 HydrophobicContact CB-CD2 4.18Å; P148-W208 HydrophobicContact CB-CG 3.8Å; P148-W208 HydrophobicContact CG-CD2 4.16Å; P148-W208 HydrophobicContact CG-CE3 4.5Å; P148-W208 HydrophobicContact CG-CG 4.31Å; P148-W270 HydrophobicContact CB-CD2 3.88Å; P148-W270 HydrophobicContact CB-CE3 4.42Å; P148-W270 HydrophobicContact CB-CG 3.97Å; P148-W270 HydrophobicContact CB-CZ2 4.47Å; P148-W270 HydrophobicContact CG-CB 4.02Å; P148-W270 HydrophobicContact CG-CD2 4.14Å; P148-W270 HydrophobicContact CG-CG 3.66Å
149	E	95.2	Very high	93.1	Very high	129 Å²	129	69.1 Å²	69.1	60%	0.603	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-66.2	-26.8	178.8	-64.2	71.2	-153.6	0	0	113	P147 L151	P147-E149 WeakPolarHBondContact CB-OE2 3.4Å; P147-E149 PolarHBondContact O-N 3.29Å; P147-E149 VanDerWaalsContact O-N 3.13Å; E149-L151 VanDerWaalsContact C-N 3.34Å
150	E	95.4	Very high	92.5	Very high	145 Å²	145	69.6 Å²	69.6	68%	0.678	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-87	-6.4	179.5	-69.5	176	-159.4	0	0	113.2	P147 P148	P147-E150 HydrophobicContact CG-CB 4.39Å; P147-E150 HydrophobicContact CG-CG 3.88Å; P147-E150 WeakPolarHBondContact CG-OE1 3.49Å; P147-E150 PolarHBondContact O-N 2.93Å; P147-E150 VanDerWaalsContact O-N 3.13Å; P148-E150 VanDerWaalsContact C-N 3.27Å; P148-E150 PolarHBondContact O-N 3.33Å
151	L	95	Very high	92	Very high	27 Å²	27	64.4 Å²	64.4	14%	0.141	35%	0.352	C	S	.	.	S	Bend	trans	-106.1	144.8	-172.6	-59.8	169.8	0	0	0	112	P146 P148 E149 K188 I190 W208	P146-L151 HydrophobicContact CB-CD2 4.15Å; P146-L151 HydrophobicContact CB-CG 4.45Å; P148-L151 PolarHBondContact O-N 3.37Å; E149-L151 VanDerWaalsContact C-N 3.34Å; L151-K188 HydrophobicContact CB-CB 4.02Å; L151-K188 HydrophobicContact CB-CD 4.2Å; L151-K188 HydrophobicContact CD1-CB 4.27Å; L151-K188 WeakPolarHBondContact O-CE 3.33Å; L151-K188 PolarHBondContact O-NZ 3.44Å; L151-I190 HydrophobicContact CD1-CD1 3.38Å; L151-I190 HydrophobicContact CD2-CD1 4.46Å; L151-W208 VanDerWaalsContact CD1-CD1 3.46Å
152	L	92.1	Very high	91.4	Very high	75 Å²	75	61.8 Å²	61.8	39%	0.393	33%	0.329	S	S	.	.			trans	-69.1	140.3	172.5	-57.3	179.1	0	0	0	110.4	T156 L157 Q160	L152-T156 HydrophobicContact CD2-CG2 4.08Å; L152-L157 HydrophobicContact CB-CD1 4.43Å; L152-L157 HydrophobicContact CB-CD2 4.04Å; L152-L157 HydrophobicContact CB-CG 3.85Å; L152-L157 HydrophobicContact CD1-CD2 3.82Å; L152-L157 HydrophobicContact CD1-CG 4.45Å; L152-Q160 VanDerWaalsContact CD1-NE2 3.33Å
153	D	87	Confident	90.8	Very high	64 Å²	64	69 Å²	69	34%	0.342	35%	0.354	S	S	.	.			trans	-74	164.2	167.4	56.2	46.6	0	0	0	111.8	E155 T156 L157	D153-E155 VanDerWaalsContact C-N 3.27Å; D153-E155 PolarHBondContact O-N 3Å; D153-E155 PolarHBondContact OD1-N 3.49Å; D153-T156 PolarHBondContact O-N 3.14Å; D153-T156 WeakPolarHBondContact OD1-CB 3.5Å; D153-T156 PolarHBondContact OD1-N 3.37Å; D153-T156 PolarHBondContact OD1-OG1 3.3Å; D153-L157 WeakPolarHBondContact O-CG 3.33Å; D153-L157 PolarHBondContact O-N 2.7Å
154	C	83.8	Confident	90.2	Very high	45 Å²	45	69.5 Å²	69.5	30%	0.304	35%	0.354	S	S	.	.	H	α-helix	trans	-59.6	-35.2	180	-74.4	0	0	0	0	113.3	L157 I158 I187	C154-L157 PolarHBondContact O-N 2.95Å; C154-I158 WeakPolarHBondContact O-CB 3.32Å; C154-I158 WeakPolarHBondContact O-CD1 3.43Å; C154-I158 WeakPolarHBondContact O-CG1 3.19Å; C154-I158 PolarHBondContact O-N 3.3Å; C154-I187 PolarHBondContact SG-O 3.29Å; C154-I187 VanDerWaalsContact SG-O 3.37Å
155	E	84.1	Confident	89.4	Confident	114 Å²	114	68 Å²	68	53%	0.533	35%	0.348	S	S	.	.	H	α-helix	trans	-64.5	-48.8	-179.8	-70.4	171.6	-148.9	0	0	110.4	D153 L157 I158 D159 R212	D153-E155 VanDerWaalsContact C-N 3.27Å; D153-E155 PolarHBondContact O-N 3Å; D153-E155 PolarHBondContact OD1-N 3.49Å; E155-L157 VanDerWaalsContact C-N 3.33Å; E155-L157 PolarHBondContact O-N 3.31Å; E155-I158 PolarHBondContact O-N 3.34Å; E155-D159 PolarHBondContact O-N 2.99Å; E155-R212 IonicContact OE1-NH2 2.79Å; E155-R212 PolarHBondContact OE1-NH2 3.01Å
156	T	87.8	Confident	88.7	Confident	56 Å²	56	72.2 Å²	72.2	34%	0.344	37%	0.369	S	S	.	.	H	α-helix	trans	-62.3	-40	176.3	-54.5	0	0	0	0	111.7	L152 D153 D159 Q160	L152-T156 HydrophobicContact CD2-CG2 4.08Å; D153-T156 PolarHBondContact O-N 3.14Å; D153-T156 WeakPolarHBondContact OD1-CB 3.5Å; D153-T156 PolarHBondContact OD1-N 3.37Å; D153-T156 PolarHBondContact OD1-OG1 3.3Å; T156-D159 PolarHBondContact O-N 2.79Å; T156-Q160 WeakPolarHBondContact O-CG 3.48Å; T156-Q160 PolarHBondContact O-N 3.36Å
157	L	86.8	Confident	87.8	Confident	11 Å²	11	71 Å²	71	6%	0.058	36%	0.36	C	S	.	.	H	α-helix	trans	-65.1	-42.2	175.7	-74.9	170.8	0	0	0	112.4	L152 D153 C154 E155 D159 Q160 Y161 P189 P192	L152-L157 HydrophobicContact CB-CD1 4.43Å; L152-L157 HydrophobicContact CB-CD2 4.04Å; L152-L157 HydrophobicContact CB-CG 3.85Å; L152-L157 HydrophobicContact CD1-CD2 3.82Å; L152-L157 HydrophobicContact CD1-CG 4.45Å; D153-L157 WeakPolarHBondContact O-CG 3.33Å; D153-L157 PolarHBondContact O-N 2.7Å; C154-L157 PolarHBondContact O-N 2.95Å; E155-L157 VanDerWaalsContact C-N 3.33Å; E155-L157 PolarHBondContact O-N 3.31Å; L157-D159 VanDerWaalsContact C-N 3.34Å; L157-Q160 PolarHBondContact O-N 2.96Å; L157-Y161 HydrophobicContact CB-CE2 4.43Å; L157-Y161 VanDerWaalsContact O-CD2 3.27Å; L157-Y161 WeakPolarHBondContact O-CD2 3.21Å; L157-Y161 PolarHBondContact O-N 3.03Å; L157-P189 HydrophobicContact CD1-CB 4.5Å; L157-P189 HydrophobicContact CD1-CG 3.83Å; L157-P192 HydrophobicContact CD1-CB 4.1Å; L157-P192 HydrophobicContact CD1-CG 4.05Å; L157-P192 HydrophobicContact CD2-CB 4.13Å; L157-P192 HydrophobicContact CD2-CG 3.64Å
158	I	85.5	Confident	86.7	Confident	12 Å²	12	72.4 Å²	72.4	6%	0.062	36%	0.362	C	S	.	.	H	α-helix	trans	-60.2	-47.1	176.1	-74.2	162.9	0	0	0	110	C154 E155 Q160 Y161 L162 L175 I178 A179	C154-I158 WeakPolarHBondContact O-CB 3.32Å; C154-I158 WeakPolarHBondContact O-CD1 3.43Å; C154-I158 WeakPolarHBondContact O-CG1 3.19Å; C154-I158 PolarHBondContact O-N 3.3Å; E155-I158 PolarHBondContact O-N 3.34Å; I158-Q160 VanDerWaalsContact C-N 3.31Å; I158-Q160 PolarHBondContact O-N 3.14Å; I158-Y161 PolarHBondContact O-N 3.17Å; I158-L162 HydrophobicContact CG2-CD1 3.7Å; I158-L162 HydrophobicContact CG2-CG 4.22Å; I158-L162 VanDerWaalsContact O-CG 3.32Å; I158-L162 WeakPolarHBondContact O-CG 3.41Å; I158-L162 PolarHBondContact O-N 2.83Å; I158-L175 HydrophobicContact CG1-CD2 4.06Å; I158-L175 HydrophobicContact CG2-CB 3.97Å; I158-I178 HydrophobicContact CD1-CB 4.16Å; I158-I178 HydrophobicContact CD1-CG2 3.71Å; I158-A179 HydrophobicContact CD1-CB 4.3Å; I158-A179 HydrophobicContact CG2-CB 4.11Å
159	D	86.8	Confident	85.6	Confident	81 Å²	81	81.9 Å²	81.9	43%	0.433	40%	0.404	S	S	.	.	H	α-helix	trans	-59.2	-41.8	176.9	-85.5	0.1	0	0	0	112.3	E155 T156 L157 L162 R163	E155-D159 PolarHBondContact O-N 2.99Å; T156-D159 PolarHBondContact O-N 2.79Å; L157-D159 VanDerWaalsContact C-N 3.34Å; D159-L162 PolarHBondContact O-N 3.47Å; D159-R163 VanDerWaalsContact O-CG 3.27Å; D159-R163 WeakPolarHBondContact O-CG 3.47Å; D159-R163 PolarHBondContact O-N 3.32Å
160	Q	86.6	Confident	84.3	Confident	98 Å²	98	80.1 Å²	80.1	46%	0.458	39%	0.391	S	S	.	.	H	α-helix	trans	-61.9	-44.8	174.8	-75.3	-178.9	3.4	0	0	111.9	L152 T156 L157 I158 R163 D164	L152-Q160 VanDerWaalsContact CD1-NE2 3.33Å; T156-Q160 WeakPolarHBondContact O-CG 3.48Å; T156-Q160 PolarHBondContact O-N 3.36Å; L157-Q160 PolarHBondContact O-N 2.96Å; I158-Q160 VanDerWaalsContact C-N 3.31Å; I158-Q160 PolarHBondContact O-N 3.14Å; Q160-R163 PolarHBondContact O-N 2.88Å; Q160-D164 PolarHBondContact O-N 3Å
161	Y	86.2	Confident	83.1	Confident	40 Å²	40	75 Å²	75	16%	0.157	37%	0.366	C	S	.	.	H	α-helix	trans	-65	-41	177.5	-64.8	-34.7	0	0	0	112.6	L157 I158 R163 D164 L167 L175 P192 S193 L195	L157-Y161 HydrophobicContact CB-CE2 4.43Å; L157-Y161 VanDerWaalsContact O-CD2 3.27Å; L157-Y161 WeakPolarHBondContact O-CD2 3.21Å; L157-Y161 PolarHBondContact O-N 3.03Å; I158-Y161 PolarHBondContact O-N 3.17Å; Y161-R163 PolarHBondContact O-N 2.81Å; Y161-D164 WeakPolarHBondContact O-CB 3.22Å; Y161-D164 PolarHBondContact O-N 3.13Å; Y161-L167 WeakPolarHBondContact O-CD2 3.43Å; Y161-L175 HydrophobicContact CD2-CD2 4.33Å; Y161-P192 WeakPolarHBondContact OH-CB 3.15Å; Y161-S193 PolarHBondContact OH-O 2.95Å; Y161-L195 HydrophobicContact CD1-CG 4.47Å; Y161-L195 HydrophobicContact CD2-CD1 3.75Å; Y161-L195 HydrophobicContact CD2-CG 4.09Å; Y161-L195 HydrophobicContact CE2-CD1 4.16Å; Y161-L195 HydrophobicContact CE2-CG 4.13Å; Y161-L195 HydrophobicContact CG-CD1 4.07Å; Y161-L195 HydrophobicContact CG-CG 4.26Å
162	L	85.8	Confident	82.2	Confident	55 Å²	55	75.6 Å²	75.6	29%	0.288	37%	0.372	S	S	.	.	H	α-helix	trans	-64.5	-25.5	178.6	-72.1	171.6	0	0	0	112.8	I158 D159 L167 P172 L175 N176	I158-L162 HydrophobicContact CG2-CD1 3.7Å; I158-L162 HydrophobicContact CG2-CG 4.22Å; I158-L162 VanDerWaalsContact O-CG 3.32Å; I158-L162 WeakPolarHBondContact O-CG 3.41Å; I158-L162 PolarHBondContact O-N 2.83Å; D159-L162 PolarHBondContact O-N 3.47Å; L162-L167 HydrophobicContact CD2-CD2 4.45Å; L162-P172 HydrophobicContact CD2-CB 3.93Å; L162-P172 HydrophobicContact CD2-CG 4.49Å; L162-L175 HydrophobicContact CD2-CB 4.07Å; L162-L175 HydrophobicContact CD2-CD1 4.03Å; L162-L175 HydrophobicContact CG-CB 4.36Å; L162-L175 HydrophobicContact CG-CD1 4.22Å; L162-N176 VanDerWaalsContact CD1-OD1 3.24Å; L162-N176 WeakPolarHBondContact CD1-OD1 3.23Å
163	R	86.9	Confident	81	Confident	196 Å²	196	76.8 Å²	76.8	74%	0.74	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-11.4	174.5	-67.8	172.8	-165.7	-170.2	7.1	113.5	D159 Q160 Y161 P165	D159-R163 VanDerWaalsContact O-CG 3.27Å; D159-R163 WeakPolarHBondContact O-CG 3.47Å; D159-R163 PolarHBondContact O-N 3.32Å; Q160-R163 PolarHBondContact O-N 2.88Å; Y161-R163 PolarHBondContact O-N 2.81Å; R163-P165 WeakPolarHBondContact O-CD 3.23Å
164	D	84.2	Confident	80.2	Confident	37 Å²	37	76 Å²	76	20%	0.198	38%	0.384	C	S	.	.			trans	-71.3	115.6	178.6	-176.5	-8.3	0	0	0	110.5	Q160 Y161 N166 L167 S196	Q160-D164 PolarHBondContact O-N 3Å; Y161-D164 WeakPolarHBondContact O-CB 3.22Å; Y161-D164 PolarHBondContact O-N 3.13Å; D164-N166 PolarHBondContact O-N 3.25Å; D164-N166 VanDerWaalsContact O-N 3.15Å; D164-N166 WeakPolarHBondContact OD1-CB 3.3Å; D164-N166 PolarHBondContact OD1-N 3.35Å; D164-L167 HydrophobicContact CB-CB 4.4Å; D164-L167 VanDerWaalsContact O-CB 3.26Å; D164-L167 WeakPolarHBondContact O-CB 3.48Å; D164-L167 PolarHBondContact O-N 3.33Å; D164-L167 VanDerWaalsContact O-N 3.09Å; D164-S196 WeakPolarHBondContact OD2-CB 3.25Å; D164-S196 PolarHBondContact OD2-OG 3.08Å
165	P	80.8	Confident	79.7	Confident	120 Å²	120	74.5 Å²	74.5	78%	0.779	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-18.5	-179.5	28.2	-35.9	0	0	0	113.2	R163 L167	R163-P165 WeakPolarHBondContact O-CD 3.23Å; P165-L167 VanDerWaalsContact C-N 3.35Å
166	N	82	Confident	79.1	Confident	118 Å²	118	73.1 Å²	73.1	63%	0.631	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	3.2	178.7	-58.4	-60.2	0	0	0	113	D164 Q168	D164-N166 PolarHBondContact O-N 3.25Å; D164-N166 VanDerWaalsContact O-N 3.15Å; D164-N166 WeakPolarHBondContact OD1-CB 3.3Å; D164-N166 PolarHBondContact OD1-N 3.35Å; N166-Q168 PolarHBondContact O-N 3.14Å
167	L	80	Confident	78.2	Confident	20 Å²	20	77.9 Å²	77.9	11%	0.105	38%	0.381	C	S	.	.			trans	-64.3	123	178.8	-172.9	66.8	0	0	0	110.5	Y161 L162 D164 P165 K169 Y171 P172 L175 L195	Y161-L167 WeakPolarHBondContact O-CD2 3.43Å; L162-L167 HydrophobicContact CD2-CD2 4.45Å; D164-L167 HydrophobicContact CB-CB 4.4Å; D164-L167 VanDerWaalsContact O-CB 3.26Å; D164-L167 WeakPolarHBondContact O-CB 3.48Å; D164-L167 PolarHBondContact O-N 3.33Å; D164-L167 VanDerWaalsContact O-N 3.09Å; P165-L167 VanDerWaalsContact C-N 3.35Å; L167-K169 PolarHBondContact O-N 3.04Å; L167-Y171 HydrophobicContact CD1-CD2 3.97Å; L167-Y171 HydrophobicContact CD1-CG 4Å; L167-P172 HydrophobicContact CD2-CG 3.82Å; L167-L175 HydrophobicContact CD2-CD1 3.94Å; L167-L195 HydrophobicContact CD1-CB 3.78Å; L167-L195 HydrophobicContact CD1-CD1 4.37Å
168	Q	73.5	Confident	77.5	Confident	76 Å²	76	80.8 Å²	80.8	36%	0.355	40%	0.396	S	S	.	.			trans	-60.9	137.4	177.8	-54.4	176.9	2.3	0	0	110.3	N166 R170 Y171 P172	N166-Q168 PolarHBondContact O-N 3.14Å; Q168-R170 HydrophobicContact CB-CG 4.38Å; Q168-R170 PolarHBondContact O-N 3.41Å; Q168-Y171 HydrophobicContact CB-CD2 3.77Å; Q168-Y171 HydrophobicContact CB-CE2 3.92Å; Q168-Y171 HydrophobicContact CG-CD2 4.42Å; Q168-Y171 HydrophobicContact CG-CE2 4.18Å; Q168-Y171 PolarHBondContact O-N 2.83Å; Q168-P172 WeakPolarHBondContact O-CD 3.28Å
169	K	71.3	Confident	76.7	Confident	201 Å²	201	82.6 Å²	82.6	87%	0.874	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-18.1	-174	-65.8	-175.3	178.7	-179.6	0	116.1	L167	L167-K169 PolarHBondContact O-N 3.04Å
170	R	68	Low	75.6	Confident	91 Å²	91	82.9 Å²	82.9	34%	0.343	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-26.5	177.8	70.1	-176.9	-174.3	-172.8	2.8	114.3	Q168 Q313	Q168-R170 HydrophobicContact CB-CG 4.38Å; Q168-R170 PolarHBondContact O-N 3.41Å; R170-Q313 VanDerWaalsContact NH2-NE2 3.15Å
171	Y	71.8	Confident	74.7	Confident	38 Å²	38	80.3 Å²	80.3	15%	0.149	41%	0.414	C	S	.	.	H	α-helix	trans	-78	-36.5	-173.4	-70.3	-73.2	0	0	0	114.6	L167 Q168 V173 A174 L175 L195 L198	L167-Y171 HydrophobicContact CD1-CD2 3.97Å; L167-Y171 HydrophobicContact CD1-CG 4Å; Q168-Y171 HydrophobicContact CB-CD2 3.77Å; Q168-Y171 HydrophobicContact CB-CE2 3.92Å; Q168-Y171 HydrophobicContact CG-CD2 4.42Å; Q168-Y171 HydrophobicContact CG-CE2 4.18Å; Q168-Y171 PolarHBondContact O-N 2.83Å; Y171-V173 VanDerWaalsContact C-N 3.26Å; Y171-V173 PolarHBondContact O-N 2.97Å; Y171-A174 PolarHBondContact O-N 3.15Å; Y171-L175 WeakPolarHBondContact O-CG 3.42Å; Y171-L175 PolarHBondContact O-N 2.82Å; Y171-L195 HydrophobicContact CD1-CD1 4.15Å; Y171-L195 HydrophobicContact CG-CD1 4.49Å; Y171-L198 WeakPolarHBondContact OH-CD1 3.16Å
172	P	74.7	Confident	73.9	Confident	40 Å²	40	87.3 Å²	87.3	26%	0.26	45%	0.448	S	S	.	.	H	α-helix	trans	-54	-41.2	179.7	-29.2	34.6	0	0	0	113.6	L162 L167 Q168 A174 L175 N176	L162-P172 HydrophobicContact CD2-CB 3.93Å; L162-P172 HydrophobicContact CD2-CG 4.49Å; L167-P172 HydrophobicContact CD2-CG 3.82Å; Q168-P172 WeakPolarHBondContact O-CD 3.28Å; P172-A174 PolarHBondContact O-N 3.26Å; P172-L175 PolarHBondContact O-N 2.92Å; P172-N176 VanDerWaalsContact O-CB 3.24Å; P172-N176 WeakPolarHBondContact O-CB 3.41Å; P172-N176 PolarHBondContact O-N 2.89Å; P172-N176 PolarHBondContact O-ND2 3.44Å
173	V	67.8	Low	73.2	Confident	100 Å²	100	85.8 Å²	85.8	61%	0.606	44%	0.441	S	S	*	.	H	α-helix	trans	-64.8	-39.8	178.3	-179.9	0	0	0	0	112	Y171 R177	Y171-V173 VanDerWaalsContact C-N 3.26Å; Y171-V173 PolarHBondContact O-N 2.97Å; V173-R177 WeakPolarHBondContact O-CB 3.28Å; V173-R177 PolarHBondContact O-N 2.93Å
174	A	70.1	Confident	73	Confident	47 Å²	47	77 Å²	77	39%	0.388	41%	0.41	S	S	.	.	H	α-helix	trans	-70.5	-44.2	178.5	0	0	0	0	0	111.4	Y171 P172 R177 I178	Y171-A174 PolarHBondContact O-N 3.15Å; P172-A174 PolarHBondContact O-N 3.26Å; A174-R177 PolarHBondContact O-N 2.78Å; A174-I178 WeakPolarHBondContact O-CG1 3.34Å; A174-I178 PolarHBondContact O-N 3.34Å
175	L	73.8	Confident	73.3	Confident	13 Å²	13	75.5 Å²	75.5	7%	0.068	40%	0.402	C	S	.	.	H	α-helix	trans	-65.8	-46	179.2	-68.4	173.9	0	0	0	112.1	I158 Y161 L162 L167 Y171 P172 R177 I178 A179 L195	I158-L175 HydrophobicContact CG1-CD2 4.06Å; I158-L175 HydrophobicContact CG2-CB 3.97Å; Y161-L175 HydrophobicContact CD2-CD2 4.33Å; L162-L175 HydrophobicContact CD2-CB 4.07Å; L162-L175 HydrophobicContact CD2-CD1 4.03Å; L162-L175 HydrophobicContact CG-CB 4.36Å; L162-L175 HydrophobicContact CG-CD1 4.22Å; L167-L175 HydrophobicContact CD2-CD1 3.94Å; Y171-L175 WeakPolarHBondContact O-CG 3.42Å; Y171-L175 PolarHBondContact O-N 2.82Å; P172-L175 PolarHBondContact O-N 2.92Å; L175-R177 VanDerWaalsContact C-N 3.25Å; L175-R177 PolarHBondContact O-N 2.84Å; L175-I178 PolarHBondContact O-N 2.92Å; L175-A179 PolarHBondContact O-N 3.23Å; L175-L195 HydrophobicContact CD1-CD1 3.97Å; L175-L195 HydrophobicContact CD2-CD1 3.92Å; L175-L195 HydrophobicContact CG-CD1 4.31Å
176	N	70.5	Confident	73.8	Confident	86 Å²	86	71.6 Å²	71.6	46%	0.46	37%	0.373	S	S	.	.	H	α-helix	trans	-61.5	-35	175.4	-73.4	-24.1	0	0	0	112	L162 P172 A180	L162-N176 VanDerWaalsContact CD1-OD1 3.24Å; L162-N176 WeakPolarHBondContact CD1-OD1 3.23Å; P172-N176 VanDerWaalsContact O-CB 3.24Å; P172-N176 WeakPolarHBondContact O-CB 3.41Å; P172-N176 PolarHBondContact O-N 2.89Å; P172-N176 PolarHBondContact O-ND2 3.44Å; N176-A180 VanDerWaalsContact O-CB 3.28Å; N176-A180 WeakPolarHBondContact O-CB 3.28Å; N176-A180 PolarHBondContact O-N 2.9Å
177	R	68.9	Low	74.3	Confident	155 Å²	155	67 Å²	67	59%	0.585	35%	0.348	S	S	*	.	H	α-helix	trans	-65.7	-39.8	174	-178.1	-179.5	-73.2	163.7	0.7	111.6	V173 A174 L175 Q181	V173-R177 WeakPolarHBondContact O-CB 3.28Å; V173-R177 PolarHBondContact O-N 2.93Å; A174-R177 PolarHBondContact O-N 2.78Å; L175-R177 VanDerWaalsContact C-N 3.25Å; L175-R177 PolarHBondContact O-N 2.84Å; R177-Q181 VanDerWaalsContact O-CG 3.29Å; R177-Q181 WeakPolarHBondContact O-CG 3.43Å; R177-Q181 PolarHBondContact O-N 3.32Å
178	I	72.1	Confident	75	Confident	72 Å²	72	67.5 Å²	67.5	37%	0.369	35%	0.349	S	S	.	.	H	α-helix	trans	-67.8	-45.8	177.2	-65.5	163.4	0	0	0	109.9	I158 A174 L175 A180 Q181	I158-I178 HydrophobicContact CD1-CB 4.16Å; I158-I178 HydrophobicContact CD1-CG2 3.71Å; A174-I178 WeakPolarHBondContact O-CG1 3.34Å; A174-I178 PolarHBondContact O-N 3.34Å; L175-I178 PolarHBondContact O-N 2.92Å; I178-A180 VanDerWaalsContact C-N 3.26Å; I178-A180 PolarHBondContact O-N 3.39Å; I178-Q181 WeakPolarHBondContact O-CB 3.29Å; I178-Q181 PolarHBondContact O-N 2.99Å
179	A	69.1	Low	76	Confident	51 Å²	51	65.5 Å²	65.5	42%	0.421	34%	0.343	S	S	.	.	H	α-helix	trans	-61.9	-33.2	178.1	0	0	0	0	0	113	I158 L175 Q181	I158-A179 HydrophobicContact CD1-CB 4.3Å; I158-A179 HydrophobicContact CG2-CB 4.11Å; L175-A179 PolarHBondContact O-N 3.23Å; A179-Q181 VanDerWaalsContact C-N 3.26Å; A179-Q181 PolarHBondContact O-N 3.04Å
180	A	64	Low	77	Confident	86 Å²	86	57 Å²	57	71%	0.711	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-3.9	176.5	0	0	0	0	0	113.9	N176 I178	N176-A180 VanDerWaalsContact O-CB 3.28Å; N176-A180 WeakPolarHBondContact O-CB 3.28Å; N176-A180 PolarHBondContact O-N 2.9Å; I178-A180 VanDerWaalsContact C-N 3.26Å; I178-A180 PolarHBondContact O-N 3.39Å
181	Q	68.3	Low	77.9	Confident	44 Å²	44	58.8 Å²	58.8	21%	0.206	32%	0.323	C	S	.	.	S	Bend	trans	-90.3	119.6	177.3	-76.9	169	4.5	0	0	110	R177 I178 A179 V183	R177-Q181 VanDerWaalsContact O-CG 3.29Å; R177-Q181 WeakPolarHBondContact O-CG 3.43Å; R177-Q181 PolarHBondContact O-N 3.32Å; I178-Q181 WeakPolarHBondContact O-CB 3.29Å; I178-Q181 PolarHBondContact O-N 2.99Å; A179-Q181 VanDerWaalsContact C-N 3.26Å; A179-Q181 PolarHBondContact O-N 3.04Å; Q181-V183 HydrophobicContact CB-CG2 4.01Å; Q181-V183 PolarHBondContact O-N 3.44Å
182	E	67.8	Low	78.4	Confident	188 Å²	188	59.6 Å²	59.6	88%	0.879	33%	0.333	S	S	*	.			trans	-69.7	98.1	161.5	-70.8	-173.5	173.4	0	0	108.5
183	V	71.6	Confident	78.6	Confident	22 Å²	22	60 Å²	60	13%	0.133	34%	0.337	C	S	.	.			trans	-92.4	127.2	174.6	-166.8	0	0	0	0	108.1	W48 Q181 I185 R212 Y233	W48-V183 HydrophobicContact CH2-CG1 4.47Å; W48-V183 HydrophobicContact CZ2-CG1 4.26Å; W48-V183 HydrophobicContact CZ2-CG2 3.79Å; Q181-V183 HydrophobicContact CB-CG2 4.01Å; Q181-V183 PolarHBondContact O-N 3.44Å; V183-I185 HydrophobicContact CG1-CD1 4.4Å; V183-I185 HydrophobicContact CG1-CG1 3.52Å; V183-I185 PolarHBondContact O-N 3.33Å; V183-R212 PolarHBondContact O-NE 3.41Å; V183-Y233 HydrophobicContact CG1-CE2 4.16Å
184	P	83.8	Confident	79	Confident	13 Å²	13	58.3 Å²	58.3	8%	0.084	33%	0.328	C	S	.	.	S	Bend	trans	-75.2	13.1	-176	34.2	-40	0	0	0	113.6	L27 V31 R212 Y229	L27-P184 HydrophobicContact CB-CB 3.96Å; L27-P184 HydrophobicContact CB-CG 4.46Å; L27-P184 HydrophobicContact CD1-CB 3.98Å; L27-P184 HydrophobicContact CD1-CG 3.88Å; L27-P184 HydrophobicContact CG-CB 4.14Å; L27-P184 HydrophobicContact CG-CG 4.11Å; V31-P184 HydrophobicContact CG2-CG 4.33Å; P184-R212 PolarHBondContact O-N 3.43Å; P184-Y229 HydrophobicContact CG-CE1 4.24Å
185	I	89.1	Confident	79.3	Confident	5 Å²	5	57.7 Å²	57.7	3%	0.026	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	151.6	178	60.9	164.3	0	0	0	109.6	L27 V183 I187 V209 R210 Y229 I230 Y233	L27-I185 HydrophobicContact CD1-CG2 3.58Å; V183-I185 HydrophobicContact CG1-CD1 4.4Å; V183-I185 HydrophobicContact CG1-CG1 3.52Å; V183-I185 PolarHBondContact O-N 3.33Å; I185-I187 HydrophobicContact CD1-CD1 3.79Å; I185-I187 HydrophobicContact CD1-CG1 4.14Å; I185-I187 HydrophobicContact CG1-CD1 4.47Å; I185-V209 HydrophobicContact CD1-CG2 4.18Å; I185-R210 CarbonylContact C-O 3.57Å; I185-R210 VanDerWaalsContact CA-O 3.25Å; I185-R210 WeakPolarHBondContact CA-O 3.43Å; I185-R210 WeakPolarHBondContact CB-O 3.45Å; I185-Y229 HydrophobicContact CG2-CD1 4.22Å; I185-Y229 HydrophobicContact CG2-CE1 4Å; I185-I230 HydrophobicContact CG2-CD1 4.24Å; I185-I230 HydrophobicContact CG2-CG1 3.77Å; I185-Y233 HydrophobicContact CD1-CD1 4.28Å; I185-Y233 HydrophobicContact CD1-CD2 3.81Å; I185-Y233 HydrophobicContact CD1-CE2 4.26Å; I185-Y233 HydrophobicContact CD1-CG 3.79Å
186	E	91.5	Very high	79.2	Confident	38 Å²	38	58.5 Å²	58.5	18%	0.178	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	139.1	171.6	-75.3	170.6	-151.4	0	0	109.7	V209 R210 R212 W270	E186-V209 VanDerWaalsContact O-CA 3.26Å; E186-V209 WeakPolarHBondContact O-CA 3.5Å; E186-R210 HydrophobicContact CB-CG 4.03Å; E186-R210 PolarHBondContact N-O 2.85Å; E186-R210 PolarHBondContact O-N 3.06Å; E186-R210 VanDerWaalsContact O-N 3.1Å; E186-R210 IonicContact OE1-NH2 3.51Å; E186-R210 IonicContact OE2-CZ 3.71Å; E186-R210 IonicContact OE2-NE 3.1Å; E186-R210 PolarHBondContact OE2-NE 2.99Å; E186-R210 IonicContact OE2-NH2 3.73Å; E186-R210 PolarHBondContact OE2-NH2 2.87Å; E186-R212 VanDerWaalsContact CD-NH1 3.32Å; E186-R212 HydrophobicContact CG-CG 3.73Å; E186-R212 IonicContact OE1-CZ 3.72Å; E186-R212 IonicContact OE1-NH1 3.81Å; E186-R212 PolarHBondContact OE1-NH1 2.82Å; E186-W270 HydrophobicContact CB-CH2 3.65Å; E186-W270 HydrophobicContact CB-CZ2 4.49Å; E186-W270 HydrophobicContact CB-CZ3 4.1Å
187	I	92.4	Very high	79.2	Confident	20 Å²	20	60.3 Å²	60.3	10%	0.103	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	135.8	179.7	-62.6	173.9	0	0	0	109.5	C154 I185 P189 F207 W208 V209 Y233	C154-I187 PolarHBondContact SG-O 3.29Å; C154-I187 VanDerWaalsContact SG-O 3.37Å; I185-I187 HydrophobicContact CD1-CD1 3.79Å; I185-I187 HydrophobicContact CD1-CG1 4.14Å; I185-I187 HydrophobicContact CG1-CD1 4.47Å; I187-P189 HydrophobicContact CG2-CG 4.47Å; I187-F207 HydrophobicContact CG2-CB 4.09Å; I187-F207 HydrophobicContact CG2-CD2 3.85Å; I187-F207 HydrophobicContact CG2-CG 4.17Å; I187-W208 CarbonylContact C-O 3.54Å; I187-W208 VanDerWaalsContact CA-O 3.31Å; I187-W208 WeakPolarHBondContact CA-O 3.5Å; I187-V209 HydrophobicContact CG1-CB 4.44Å; I187-V209 HydrophobicContact CG1-CG2 3.97Å; I187-Y233 HydrophobicContact CD1-CD1 3.2Å; I187-Y233 HydrophobicContact CD1-CE1 3.02Å; I187-Y233 HydrophobicContact CD1-CG 4.08Å
188	K	95.1	Very high	79.6	Confident	32 Å²	32	54.6 Å²	54.6	14%	0.139	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	101	172.3	-63.9	-172.9	162.8	-160.8	0	109.8	P148 L151 F207 W208 W270	P148-K188 HydrophobicContact CB-CD 4.15Å; P148-K188 WeakPolarHBondContact O-CD 3.5Å; P148-K188 PolarHBondContact O-NZ 3.49Å; L151-K188 HydrophobicContact CB-CB 4.02Å; L151-K188 HydrophobicContact CB-CD 4.2Å; L151-K188 HydrophobicContact CD1-CB 4.27Å; L151-K188 WeakPolarHBondContact O-CE 3.33Å; L151-K188 PolarHBondContact O-NZ 3.44Å; K188-F207 CarbonylContact O-C 3.58Å; K188-F207 WeakPolarHBondContact O-CA 3.4Å; K188-F207 WeakPolarHBondContact O-CB 3.42Å; K188-W208 HydrophobicContact CB-CB 4.24Å; K188-W208 PolarHBondContact N-O 2.87Å; K188-W208 PolarHBondContact O-N 3.28Å; K188-W270 HydrophobicContact CD-CH2 3.87Å; K188-W270 HydrophobicContact CD-CZ2 4.04Å; K188-W270 HydrophobicContact CG-CH2 3.83Å; K188-W270 HydrophobicContact CG-CZ2 4.49Å; K188-W270 HydrophobicContact CG-CZ3 4.31Å
189	P	94.1	Very high	80	Confident	33 Å²	33	57.5 Å²	57.5	21%	0.214	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	141.2	180	-22.1	33.7	0	0	0	113	L157 I187 P192	L157-P189 HydrophobicContact CD1-CB 4.5Å; L157-P189 HydrophobicContact CD1-CG 3.83Å; I187-P189 HydrophobicContact CG2-CG 4.47Å; P189-P192 HydrophobicContact CB-CB 4.24Å
190	I	93.8	Very high	80.9	Confident	23 Å²	23	64.3 Å²	64.3	12%	0.118	34%	0.338	C	S	.	.	S	Bend	trans	-83.7	125.6	166.6	-53.2	-56.1	0	0	0	108.4	V145 L151 M206 L272	V145-I190 HydrophobicContact CB-CD1 4.15Å; V145-I190 HydrophobicContact CB-CG1 4.44Å; V145-I190 HydrophobicContact CG1-CG1 4.42Å; V145-I190 HydrophobicContact CG1-CG2 4.5Å; V145-I190 HydrophobicContact CG2-CD1 4.44Å; L151-I190 HydrophobicContact CD1-CD1 3.38Å; L151-I190 HydrophobicContact CD2-CD1 4.46Å; I190-M206 HydrophobicContact CB-CB 4.09Å; I190-M206 VanDerWaalsContact CB-O 3.29Å; I190-M206 WeakPolarHBondContact CB-O 3.41Å; I190-M206 HydrophobicContact CG1-CB 3.71Å; I190-M206 WeakPolarHBondContact CG1-O 3.26Å; I190-M206 PolarHBondContact N-O 3.28Å; I190-L272 HydrophobicContact CG1-CD1 4.45Å
191	N	85.3	Confident	82.1	Confident	128 Å²	128	62.7 Å²	62.7	68%	0.684	32%	0.316	S	S	*	.	S	Bend	trans	51.3	60.9	177.1	-59.8	-32.2	0	0	0	114.2	S193	N191-S193 PolarHBondContact O-N 2.81Å
192	P	83.3	Confident	83.4	Confident	56 Å²	56	67.4 Å²	67.4	36%	0.364	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-61.7	127.4	-179.2	26.2	-33.4	0	0	0	111.4	L157 Y161 P189	L157-P192 HydrophobicContact CD1-CB 4.1Å; L157-P192 HydrophobicContact CD1-CG 4.05Å; L157-P192 HydrophobicContact CD2-CB 4.13Å; L157-P192 HydrophobicContact CD2-CG 3.64Å; Y161-P192 WeakPolarHBondContact OH-CB 3.15Å; P189-P192 HydrophobicContact CB-CB 4.24Å
193	S	77.9	Confident	84.7	Confident	48 Å²	48	60.3 Å²	60.3	34%	0.336	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-81.9	140.2	179.6	-66.3	0	0	0	0	111.9	Y161 N191 L195 M201	Y161-S193 PolarHBondContact OH-O 2.95Å; N191-S193 PolarHBondContact O-N 2.81Å; S193-L195 PolarHBondContact O-N 2.94Å; S193-M201 VanDerWaalsContact OG-CE 3.23Å; S193-M201 WeakPolarHBondContact OG-CE 3.46Å; S193-M201 PolarHBondContact OG-SD 2.9Å
194	P	76.3	Confident	85.9	Confident	64 Å²	64	63.2 Å²	63.2	42%	0.416	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-61.1	131.4	174.6	-22.5	33.1	0	0	0	112.4	S196 Q197	P194-S196 PolarHBondContact O-N 2.82Å; P194-Q197 CarbonylContact O-C 3.57Å; P194-Q197 PolarHBondContact O-N 3.32Å
195	L	77.1	Confident	86.5	Confident	35 Å²	35	64.9 Å²	64.9	18%	0.183	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-19.8	178.5	-62.7	-179.6	0	0	0	113.6	Y161 L167 Y171 L175 S193 Q197	Y161-L195 HydrophobicContact CD1-CG 4.47Å; Y161-L195 HydrophobicContact CD2-CD1 3.75Å; Y161-L195 HydrophobicContact CD2-CG 4.09Å; Y161-L195 HydrophobicContact CE2-CD1 4.16Å; Y161-L195 HydrophobicContact CE2-CG 4.13Å; Y161-L195 HydrophobicContact CG-CD1 4.07Å; Y161-L195 HydrophobicContact CG-CG 4.26Å; L167-L195 HydrophobicContact CD1-CB 3.78Å; L167-L195 HydrophobicContact CD1-CD1 4.37Å; Y171-L195 HydrophobicContact CD1-CD1 4.15Å; Y171-L195 HydrophobicContact CG-CD1 4.49Å; L175-L195 HydrophobicContact CD1-CD1 3.97Å; L175-L195 HydrophobicContact CD2-CD1 3.92Å; L175-L195 HydrophobicContact CG-CD1 4.31Å; S193-L195 PolarHBondContact O-N 2.94Å; L195-Q197 VanDerWaalsContact C-N 3.32Å
196	S	71.3	Confident	86.8	Confident	29 Å²	29	66.2 Å²	66.2	20%	0.203	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-21.8	176.5	49.4	0	0	0	0	113.2	D164 P194	D164-S196 WeakPolarHBondContact OD2-CB 3.25Å; D164-S196 PolarHBondContact OD2-OG 3.08Å; P194-S196 PolarHBondContact O-N 2.82Å
197	Q	70.9	Confident	87.1	Confident	124 Å²	124	64.7 Å²	64.7	58%	0.579	33%	0.325	S	S	*	.	S	Bend	trans	-131.3	68.8	-176.7	-64.9	-176.1	-8.7	0	0	110.3	P194 L195 Q199	P194-Q197 CarbonylContact O-C 3.57Å; P194-Q197 PolarHBondContact O-N 3.32Å; L195-Q197 VanDerWaalsContact C-N 3.32Å; Q197-Q199 PolarHBondContact O-N 2.84Å; Q197-Q199 VanDerWaalsContact O-N 3.1Å
198	L	76.9	Confident	87.4	Confident	36 Å²	36	64.1 Å²	64.1	19%	0.188	32%	0.322	C	S	.	.			trans	-63.6	115.3	173.9	-65.4	-179.3	0	0	0	110	Y171 Q244 W245	Y171-L198 WeakPolarHBondContact OH-CD1 3.16Å; L198-Q244 HydrophobicContact CD2-CG 4.36Å; L198-W245 HydrophobicContact CB-CB 4.23Å; L198-W245 WeakPolarHBondContact O-CB 3.37Å
199	Q	81.4	Confident	87.5	Confident	132 Å²	132	62.7 Å²	62.7	62%	0.617	32%	0.316	S	S	*	.			trans	-111.1	167.4	175.3	-65.4	-179.8	9	0	0	110.4	Q197 M201	Q197-Q199 PolarHBondContact O-N 2.84Å; Q197-Q199 VanDerWaalsContact O-N 3.1Å; Q199-M201 PolarHBondContact O-N 3.19Å
200	R	86.9	Confident	87.5	Confident	194 Å²	194	64.8 Å²	64.8	73%	0.732	32%	0.32	S	S	*	.			trans	-64.4	124.4	168.2	-177.1	178.3	178.4	173.2	-0.7	108.4
201	M	90.1	Very high	87.5	Confident	52 Å²	52	63.8 Å²	63.8	26%	0.256	32%	0.315	S	S	.	.			trans	-113.6	157.9	176.8	-64.5	178.5	70.4	0	0	110.5	S193 Q199 L241 P242 Q244	S193-M201 VanDerWaalsContact OG-CE 3.23Å; S193-M201 WeakPolarHBondContact OG-CE 3.46Å; S193-M201 PolarHBondContact OG-SD 2.9Å; Q199-M201 PolarHBondContact O-N 3.19Å; M201-L241 HydrophobicContact CB-CB 4.17Å; M201-L241 HydrophobicContact SD-CD2 4.32Å; M201-P242 VanDerWaalsContact O-CA 3.29Å; M201-P242 WeakPolarHBondContact O-CA 3.09Å; M201-Q244 PolarHBondContact SD-NE2 2.84Å
202	E	94.5	Very high	87.8	Confident	143 Å²	143	62.3 Å²	62.3	67%	0.668	30%	0.3	S	S	*	.			trans	-60.5	148.7	165	-71.4	-59.5	121.5	0	0	109.9	K204	E202-K204 HydrophobicContact CB-CB 4.44Å; E202-K204 PolarHBondContact O-N 3.38Å
203	P	96.2	Very high	88.1	Confident	39 Å²	39	61.6 Å²	61.6	25%	0.253	30%	0.302	S	S	.	.	S	Bend	trans	-73.3	46.8	173.6	31.5	-34.2	0	0	0	111.1	T238 P242 E276 S277	P203-T238 WeakPolarHBondContact O-CG2 3.49Å; P203-P242 HydrophobicContact CB-CG 3.61Å; P203-P242 HydrophobicContact CG-CG 4.22Å; P203-E276 CarbonylContact O-C 3.46Å; P203-E276 VanDerWaalsContact O-CA 3.27Å; P203-E276 WeakPolarHBondContact O-CA 3.38Å; P203-S277 WeakPolarHBondContact CB-O 3.38Å; P203-S277 PolarHBondContact O-N 3.39Å
204	K	96.1	Very high	88.7	Confident	83 Å²	83	64.1 Å²	64.1	36%	0.361	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	134.3	-176.3	-165.7	173.4	-166.3	-179.6	0	109.7	E202 M206 E274 C275 E276	E202-K204 HydrophobicContact CB-CB 4.44Å; E202-K204 PolarHBondContact O-N 3.38Å; K204-M206 HydrophobicContact CD-CE 4.11Å; K204-E274 WeakPolarHBondContact CE-OE1 3.16Å; K204-E274 IonicContact NZ-OE1 2.73Å; K204-E274 PolarHBondContact NZ-OE1 2.7Å; K204-C275 WeakPolarHBondContact CA-O 3.27Å; K204-C275 WeakPolarHBondContact CG-O 3.39Å; K204-E276 HydrophobicContact CG-CB 4.39Å
205	Q	95.6	Very high	89.4	Confident	49 Å²	49	62.1 Å²	62.1	23%	0.229	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	153.7	170.4	61.6	179.5	-39.5	0	0	110	A234 T238 L241 C275	Q205-A234 PolarHBondContact NE2-O 2.73Å; Q205-T238 HydrophobicContact CG-CG2 4.17Å; Q205-T238 PolarHBondContact NE2-OG1 3.26Å; Q205-L241 HydrophobicContact CB-CD1 3.87Å; Q205-L241 HydrophobicContact CG-CD1 4.15Å; Q205-C275 HydrophobicContact CG-CB 3.94Å; Q205-C275 PolarHBondContact N-O 2.74Å; Q205-C275 PolarHBondContact O-N 3.04Å; Q205-C275 VanDerWaalsContact O-O 3.04Å
206	M	97.2	Very high	89.9	Confident	33 Å²	33	61.1 Å²	61.1	16%	0.163	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	147.3	174.6	-59.5	177.8	-167.7	0	0	108.6	P143 V145 I190 K204 L272 Y273 E274	P143-M206 HydrophobicContact CB-CE 3.85Å; P143-M206 HydrophobicContact CB-SD 4.12Å; P143-M206 HydrophobicContact CG-CE 3.93Å; P143-M206 HydrophobicContact CG-SD 4.4Å; V145-M206 HydrophobicContact CG1-SD 3.61Å; I190-M206 HydrophobicContact CB-CB 4.09Å; I190-M206 VanDerWaalsContact CB-O 3.29Å; I190-M206 WeakPolarHBondContact CB-O 3.41Å; I190-M206 HydrophobicContact CG1-CB 3.71Å; I190-M206 WeakPolarHBondContact CG1-O 3.26Å; I190-M206 PolarHBondContact N-O 3.28Å; K204-M206 HydrophobicContact CD-CE 4.11Å; M206-L272 HydrophobicContact CB-CD1 4.11Å; M206-Y273 VanDerWaalsContact CA-O 3.3Å; M206-Y273 WeakPolarHBondContact CA-O 3.31Å; M206-E274 HydrophobicContact CE-CG 4.08Å; M206-E274 HydrophobicContact CG-CB 4.3Å; M206-E274 HydrophobicContact CG-CG 4.23Å
207	F	97.3	Very high	90.5	Very high	6 Å²	6	66.2 Å²	66.2	3%	0.026	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	148	173.8	52.6	-90.8	0	0	0	110	I187 K188 V209 A234 Y273	I187-F207 HydrophobicContact CG2-CB 4.09Å; I187-F207 HydrophobicContact CG2-CD2 3.85Å; I187-F207 HydrophobicContact CG2-CG 4.17Å; K188-F207 CarbonylContact O-C 3.58Å; K188-F207 WeakPolarHBondContact O-CA 3.4Å; K188-F207 WeakPolarHBondContact O-CB 3.42Å; F207-V209 HydrophobicContact CD2-CB 4.05Å; F207-V209 HydrophobicContact CD2-CG1 4.45Å; F207-V209 HydrophobicContact CE2-CB 4.09Å; F207-V209 HydrophobicContact CE2-CG1 4.26Å; F207-A234 HydrophobicContact CE1-CB 4.34Å; F207-A234 HydrophobicContact CZ-CB 4.32Å; F207-Y273 HydrophobicContact CE1-CD1 4.3Å; F207-Y273 AromaticContact CE2-CD1 3.64Å; F207-Y273 HydrophobicContact CE2-CD1 3.64Å; F207-Y273 HydrophobicContact CE2-CG 4.13Å; F207-Y273 AromaticContact CZ-CD1 3.37Å; F207-Y273 HydrophobicContact CZ-CD1 3.37Å; F207-Y273 HydrophobicContact CZ-CE1 4.16Å; F207-Y273 AromaticContact CZ-CG 3.92Å; F207-Y273 HydrophobicContact CZ-CG 3.92Å; F207-Y273 PolarHBondContact N-O 2.96Å; F207-Y273 VanDerWaalsContact N-O 3.14Å; F207-Y273 PolarHBondContact O-N 3.15Å
208	W	98	Very high	90.9	Very high	7 Å²	7	64.2 Å²	64.2	3%	0.027	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	138.8	166.9	-69.7	98.4	0	0	0	109.3	M142 V145 P146 P148 L151 I187 K188 W270 M271 L272 Q294	M142-W208 HydrophobicContact CE-CH2 3.81Å; M142-W208 HydrophobicContact CE-CZ2 4.16Å; V145-W208 HydrophobicContact CG2-CZ2 3.89Å; P146-W208 PolarHBondContact O-NE1 3.37Å; P148-W208 HydrophobicContact CB-CB 4.06Å; P148-W208 HydrophobicContact CB-CD2 4.18Å; P148-W208 HydrophobicContact CB-CG 3.8Å; P148-W208 HydrophobicContact CG-CD2 4.16Å; P148-W208 HydrophobicContact CG-CE3 4.5Å; P148-W208 HydrophobicContact CG-CG 4.31Å; L151-W208 VanDerWaalsContact CD1-CD1 3.46Å; I187-W208 CarbonylContact C-O 3.54Å; I187-W208 VanDerWaalsContact CA-O 3.31Å; I187-W208 WeakPolarHBondContact CA-O 3.5Å; K188-W208 HydrophobicContact CB-CB 4.24Å; K188-W208 PolarHBondContact N-O 2.87Å; K188-W208 PolarHBondContact O-N 3.28Å; W208-W270 HydrophobicContact CB-CD2 4.48Å; W208-W270 HydrophobicContact CB-CE3 3.73Å; W208-W270 HydrophobicContact CB-CZ3 4.04Å; W208-W270 HydrophobicContact CE3-CB 3.88Å; W208-W270 HydrophobicContact CZ3-CB 4.32Å; W208-M271 WeakPolarHBondContact CA-O 3.49Å; W208-L272 HydrophobicContact CD2-CB 4.3Å; W208-L272 HydrophobicContact CD2-CD1 4.43Å; W208-L272 HydrophobicContact CE3-CB 3.97Å; W208-L272 VanDerWaalsContact CE3-N 3.32Å; W208-L272 HydrophobicContact CH2-CB 3.85Å; W208-L272 HydrophobicContact CZ2-CB 4.2Å; W208-L272 HydrophobicContact CZ3-CB 3.72Å; W208-L272 VanDerWaalsContact CZ3-N 3.28Å; W208-Q294 HydrophobicContact CE3-CG 4.39Å; W208-Q294 HydrophobicContact CH2-CB 4.44Å; W208-Q294 HydrophobicContact CH2-CG 3.69Å; W208-Q294 HydrophobicContact CZ3-CB 4.48Å; W208-Q294 HydrophobicContact CZ3-CG 3.45Å; W208-Q294 VanDerWaalsContact CZ3-CG 3.45Å
209	V	96.9	Very high	91.4	Very high	2 Å²	2	66 Å²	66	1%	0.012	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	145.5	178.5	63	0	0	0	0	111.1	I185 E186 I187 F207 I230 M271 L291	I185-V209 HydrophobicContact CD1-CG2 4.18Å; E186-V209 VanDerWaalsContact O-CA 3.26Å; E186-V209 WeakPolarHBondContact O-CA 3.5Å; I187-V209 HydrophobicContact CG1-CB 4.44Å; I187-V209 HydrophobicContact CG1-CG2 3.97Å; F207-V209 HydrophobicContact CD2-CB 4.05Å; F207-V209 HydrophobicContact CD2-CG1 4.45Å; F207-V209 HydrophobicContact CE2-CB 4.09Å; F207-V209 HydrophobicContact CE2-CG1 4.26Å; V209-I230 HydrophobicContact CB-CG2 4.3Å; V209-I230 HydrophobicContact CG1-CG2 3.7Å; V209-I230 HydrophobicContact CG2-CD1 4.36Å; V209-I230 HydrophobicContact CG2-CG1 4.33Å; V209-I230 HydrophobicContact CG2-CG2 3.62Å; V209-M271 PolarHBondContact N-O 2.8Å; V209-M271 PolarHBondContact O-N 3.29Å; V209-L291 HydrophobicContact CG1-CD2 4.09Å
210	R	95.3	Very high	92.1	Very high	78 Å²	78	61.7 Å²	61.7	29%	0.294	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	157.8	168.4	66.2	178.8	179.4	173.6	1.7	111.1	I185 E186 H269 W270	I185-R210 CarbonylContact C-O 3.57Å; I185-R210 VanDerWaalsContact CA-O 3.25Å; I185-R210 WeakPolarHBondContact CA-O 3.43Å; I185-R210 WeakPolarHBondContact CB-O 3.45Å; E186-R210 HydrophobicContact CB-CG 4.03Å; E186-R210 PolarHBondContact N-O 2.85Å; E186-R210 PolarHBondContact O-N 3.06Å; E186-R210 VanDerWaalsContact O-N 3.1Å; E186-R210 IonicContact OE1-NH2 3.51Å; E186-R210 IonicContact OE2-CZ 3.71Å; E186-R210 IonicContact OE2-NE 3.1Å; E186-R210 PolarHBondContact OE2-NE 2.99Å; E186-R210 IonicContact OE2-NH2 3.73Å; E186-R210 PolarHBondContact OE2-NH2 2.87Å; R210-H269 VanDerWaalsContact CB-O 3.24Å; R210-H269 WeakPolarHBondContact CB-O 3.24Å; R210-W270 HydrophobicContact CB-CD2 4.4Å; R210-W270 HydrophobicContact CB-CE3 4.05Å; R210-W270 HydrophobicContact CB-CZ3 4.46Å; R210-W270 HydrophobicContact CG-CD2 3.99Å; R210-W270 HydrophobicContact CG-CE3 3.76Å; R210-W270 HydrophobicContact CG-CH2 4.11Å; R210-W270 HydrophobicContact CG-CZ2 4.3Å; R210-W270 HydrophobicContact CG-CZ3 3.84Å
211	A	93.6	Very high	92.4	Very high	2 Å²	2	53.3 Å²	53.3	2%	0.017	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	145.4	166	0	0	0	0	0	111.3	L27 I215 V226 A267	L27-A211 HydrophobicContact CD1-CB 4.29Å; A211-I215 HydrophobicContact CB-CD1 4Å; A211-V226 HydrophobicContact CB-CG1 3.67Å; A211-A267 PolarHBondContact N-O 3.06Å
212	R	90.9	Very high	92.7	Very high	97 Å²	97	51.8 Å²	51.8	37%	0.366	27%	0.273	S	S	.	.	S	Bend	trans	-78.8	140.2	171.9	-66.3	-174	-175.9	-98.7	21.8	110.4	S25 E155 V183 P184 E186	S25-R212 WeakPolarHBondContact CA-O 3.43Å; S25-R212 WeakPolarHBondContact CB-O 3.35Å; S25-R212 PolarHBondContact OG-O 2.98Å; E155-R212 IonicContact OE1-NH2 2.79Å; E155-R212 PolarHBondContact OE1-NH2 3.01Å; V183-R212 PolarHBondContact O-NE 3.41Å; P184-R212 PolarHBondContact O-N 3.43Å; E186-R212 VanDerWaalsContact CD-NH1 3.32Å; E186-R212 HydrophobicContact CG-CG 3.73Å; E186-R212 IonicContact OE1-CZ 3.72Å; E186-R212 IonicContact OE1-NH1 3.81Å; E186-R212 PolarHBondContact OE1-NH1 2.82Å
213	G	89.3	Confident	92.8	Very high	40 Å²	40	45 Å²	45	41%	0.412	24%	0.242	S	C	.	.	S	Bend	trans	78.6	167.3	178	0	0	0	0	0	113.9	D268	G213-D268 WeakPolarHBondContact O-CB 3.24Å
214	Y	91.1	Very high	92.9	Very high	102 Å²	102	43.4 Å²	43.4	40%	0.4	23%	0.231	S	C	.	.	B	Isolated β-bridge	trans	-79.8	131.9	-176.2	-176.4	-110.2	0	0	0	111.1	L23 R24 S25 G216 E217 R266	L23-Y214 PolarHBondContact O-N 3.01Å; L23-Y214 VanDerWaalsContact O-N 3.17Å; R24-Y214 WeakPolarHBondContact CA-O 3.39Å; S25-Y214 PolarHBondContact N-O 3.12Å; Y214-G216 VanDerWaalsContact CE1-CA 3.5Å; Y214-E217 PolarHBondContact OH-N 2.93Å; Y214-R266 VanDerWaalsContact CE2-NH2 3.33Å
215	I	91.1	Very high	93	Very high	22 Å²	22	39.6 Å²	39.6	11%	0.113	22%	0.215	C	C	.	.			trans	-95.4	-43.6	176.9	-64.7	171.7	0	0	0	111	V28 A211 M222 V226 A267 D268	V28-I215 HydrophobicContact CG2-CB 4.39Å; V28-I215 HydrophobicContact CG2-CG1 3.86Å; V28-I215 HydrophobicContact CG2-CG2 4.07Å; A211-I215 HydrophobicContact CB-CD1 4Å; I215-M222 HydrophobicContact CG2-CB 4.24Å; I215-M222 HydrophobicContact CG2-CG 3.9Å; I215-V226 HydrophobicContact CD1-CB 4.19Å; I215-V226 HydrophobicContact CD1-CG1 4.07Å; I215-V226 HydrophobicContact CD1-CG2 3.72Å; I215-A267 HydrophobicContact CD1-CB 4.13Å; I215-D268 HydrophobicContact CD1-CB 3.91Å; I215-D268 HydrophobicContact CG1-CB 4.05Å; I215-D268 PolarHBondContact N-OD2 2.86Å
216	G	87.4	Confident	93	Very high	14 Å²	14	37.2 Å²	37.2	14%	0.144	20%	0.204	C	C	.	.			trans	122.7	130.6	-174.7	0	0	0	0	0	112.5	Y214 G218 H223	Y214-G216 VanDerWaalsContact CE1-CA 3.5Å; G216-G218 VanDerWaalsContact C-N 3.34Å; G216-G218 PolarHBondContact O-N 2.76Å; G216-H223 PolarHBondContact O-NE2 3.32Å
217	E	82.8	Confident	93	Very high	135 Å²	135	35.7 Å²	35.7	63%	0.631	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-28.3	-174.1	-74.9	168.6	-160.5	0	0	114.9	Y214 R266	Y214-E217 PolarHBondContact OH-N 2.93Å; E217-R266 IonicContact OE1-NH1 3.37Å; E217-R266 PolarHBondContact OE1-NH1 3.45Å
218	G	81	Confident	93.1	Very high	82 Å²	82	35.4 Å²	35.4	85%	0.845	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-7.7	-175.1	0	0	0	0	0	115.2	G216 M220	G216-G218 VanDerWaalsContact C-N 3.34Å; G216-G218 PolarHBondContact O-N 2.76Å; G218-M220 PolarHBondContact O-N 3Å
219	D	87.4	Confident	92.9	Very high	75 Å²	75	35.1 Å²	35.1	40%	0.401	19%	0.194	S	C	.	.			trans	-100.8	68.2	-171.8	-163.5	-16.2	0	0	0	111.9	K221 M222 H223	D219-K221 PolarHBondContact O-N 2.96Å; D219-M222 HydrophobicContact CB-CB 4Å; D219-M222 PolarHBondContact O-N 2.78Å; D219-M222 VanDerWaalsContact O-N 3.14Å; D219-M222 VanDerWaalsContact OD1-CB 3.24Å; D219-M222 WeakPolarHBondContact OD1-CB 3.39Å; D219-M222 PolarHBondContact OD1-N 2.85Å; D219-M222 VanDerWaalsContact OD2-CB 3.29Å; D219-M222 WeakPolarHBondContact OD2-CB 3.37Å; D219-H223 PolarHBondContact O-CD2 3.19Å; D219-H223 VanDerWaalsContact O-CD2 3.3Å; D219-H223 PolarHBondContact O-N 3.42Å
220	M	94.4	Very high	92.9	Very high	40 Å²	40	35.2 Å²	35.2	20%	0.197	20%	0.195	C	C	.	.	H	α-helix	trans	-59.8	-34.9	179.9	-173.9	55.6	51	0	0	112.2	G218 M222 H223 C224 P264 F265	G218-M220 PolarHBondContact O-N 3Å; M220-M222 VanDerWaalsContact C-N 3.35Å; M220-M222 PolarHBondContact O-N 2.87Å; M220-H223 PolarHBondContact O-N 3.39Å; M220-H223 HydrophobicContact SD-CB 4.41Å; M220-C224 PolarHBondContact O-N 3.07Å; M220-C224 PolarHBondContact O-SG 2.91Å; M220-C224 VanDerWaalsContact O-SG 3.37Å; M220-P264 HydrophobicContact CE-CB 3.64Å; M220-P264 HydrophobicContact SD-CB 4.36Å; M220-F265 VanDerWaalsContact CE-O 3.26Å; M220-F265 WeakPolarHBondContact CE-O 3.34Å
221	K	95	Very high	92.9	Very high	19 Å²	19	31.5 Å²	31.5	8%	0.083	18%	0.18	C	C	.	.	H	α-helix	trans	-61.5	-45.2	176.2	-71.2	174.4	-179.8	174	0	110.7	A68 S72 E73 V75 D219 C224 C225	A68-K221 HydrophobicContact CB-CB 4.43Å; A68-K221 HydrophobicContact CB-CD 4.37Å; S72-K221 PolarHBondContact O-NZ 2.95Å; E73-K221 IonicContact OE2-NZ 2.81Å; E73-K221 PolarHBondContact OE2-NZ 2.85Å; V75-K221 WeakPolarHBondContact O-CE 3.34Å; D219-K221 PolarHBondContact O-N 2.96Å; K221-C224 PolarHBondContact O-N 3.01Å; K221-C225 PolarHBondContact O-N 2.92Å; K221-C225 PolarHBondContact O-SG 2.85Å
222	M	95.4	Very high	92.9	Very high	20 Å²	20	32.1 Å²	32.1	10%	0.099	18%	0.184	C	C	.	.	H	α-helix	trans	-64.8	-41.9	176.1	-168	66.4	-125.6	0	0	111.6	V28 L32 V65 I215 D219 M220 C224 C225 V226	V28-M222 HydrophobicContact CB-CE 4.46Å; V28-M222 HydrophobicContact CG1-CE 4.39Å; V28-M222 HydrophobicContact CG1-CG 4.05Å; V28-M222 HydrophobicContact CG1-SD 3.97Å; V28-M222 HydrophobicContact CG2-CE 4Å; V28-M222 HydrophobicContact CG2-CG 3.88Å; V28-M222 HydrophobicContact CG2-SD 4.35Å; L32-M222 HydrophobicContact CB-CE 3.73Å; L32-M222 HydrophobicContact CD1-CE 3.35Å; L32-M222 HydrophobicContact CG-CE 4.17Å; V65-M222 HydrophobicContact CG2-CE 4.38Å; I215-M222 HydrophobicContact CG2-CB 4.24Å; I215-M222 HydrophobicContact CG2-CG 3.9Å; D219-M222 HydrophobicContact CB-CB 4Å; D219-M222 PolarHBondContact O-N 2.78Å; D219-M222 VanDerWaalsContact O-N 3.14Å; D219-M222 VanDerWaalsContact OD1-CB 3.24Å; D219-M222 WeakPolarHBondContact OD1-CB 3.39Å; D219-M222 PolarHBondContact OD1-N 2.85Å; D219-M222 VanDerWaalsContact OD2-CB 3.29Å; D219-M222 WeakPolarHBondContact OD2-CB 3.37Å; M220-M222 VanDerWaalsContact C-N 3.35Å; M220-M222 PolarHBondContact O-N 2.87Å; M222-C224 VanDerWaalsContact C-N 3.31Å; M222-C224 PolarHBondContact O-N 2.88Å; M222-C225 HydrophobicContact CE-CB 3.88Å; M222-C225 WeakPolarHBondContact O-CA 3.35Å; M222-C225 WeakPolarHBondContact O-CB 3.23Å; M222-C225 PolarHBondContact O-N 2.85Å; M222-C225 VanDerWaalsContact O-N 3.07Å; M222-V226 HydrophobicContact CE-CG2 3.73Å; M222-V226 VanDerWaalsContact O-CG2 3.32Å; M222-V226 WeakPolarHBondContact O-CG2 3.35Å; M222-V226 PolarHBondContact O-N 3.2Å
223	H	97.2	Very high	92.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-57.7	-41.3	173.4	-75.1	-61.3	0	0	0	112.8	G216 D219 M220 V226 A227 F265 A267 D268	G216-H223 PolarHBondContact O-NE2 3.32Å; D219-H223 PolarHBondContact O-CD2 3.19Å; D219-H223 VanDerWaalsContact O-CD2 3.3Å; D219-H223 PolarHBondContact O-N 3.42Å; M220-H223 PolarHBondContact O-N 3.39Å; M220-H223 HydrophobicContact SD-CB 4.41Å; H223-V226 PolarHBondContact O-N 3.05Å; H223-A227 PolarHBondContact O-N 3.23Å; H223-F265 HydrophobicContact CB-CE2 4.27Å; H223-A267 HydrophobicContact CB-CB 4.31Å; H223-A267 PolarHBondContact ND1-N 2.89Å; H223-D268 IonicContact CE1-OD1 3.31Å; H223-D268 PolarHBondContact CE1-OD1 3.46Å; H223-D268 VanDerWaalsContact CE1-OD1 3.31Å
224	C	98	Very high	92.7	Very high	6 Å²	6	30 Å²	30	4%	0.041	17%	0.173	C	C	.	.	H	α-helix	trans	-63.8	-39.2	172.8	-68.1	0	0	0	0	112.6	L64 V77 M220 K221 M222 A227 A228 F261	L64-C224 HydrophobicContact CD2-CB 4.37Å; V77-C224 HydrophobicContact CG1-CB 3.46Å; V77-C224 VanDerWaalsContact CG1-CB 3.46Å; M220-C224 PolarHBondContact O-N 3.07Å; M220-C224 PolarHBondContact O-SG 2.91Å; M220-C224 VanDerWaalsContact O-SG 3.37Å; K221-C224 PolarHBondContact O-N 3.01Å; M222-C224 VanDerWaalsContact C-N 3.31Å; M222-C224 PolarHBondContact O-N 2.88Å; C224-A227 PolarHBondContact O-N 3.46Å; C224-A228 WeakPolarHBondContact O-CB 3.42Å; C224-A228 PolarHBondContact O-N 3.19Å; C224-F261 HydrophobicContact CB-CD1 3.98Å; C224-F261 HydrophobicContact CB-CE1 3.69Å; C224-F261 HydrophobicContact CB-CZ 4.19Å
225	C	97.7	Very high	92.9	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.014	15%	0.154	C	C	.	.	H	α-helix	trans	-63.8	-39.9	174.6	-63.2	0	0	0	0	112.4	L32 V65 K221 M222 A228 Y229	L32-C225 HydrophobicContact CD1-CB 4.13Å; V65-C225 HydrophobicContact CG2-CB 3.68Å; V65-C225 VanDerWaalsContact CG2-SG 3.56Å; K221-C225 PolarHBondContact O-N 2.92Å; K221-C225 PolarHBondContact O-SG 2.85Å; M222-C225 HydrophobicContact CE-CB 3.88Å; M222-C225 WeakPolarHBondContact O-CA 3.35Å; M222-C225 WeakPolarHBondContact O-CB 3.23Å; M222-C225 PolarHBondContact O-N 2.85Å; M222-C225 VanDerWaalsContact O-N 3.07Å; C225-A228 WeakPolarHBondContact O-CB 3.33Å; C225-A228 PolarHBondContact O-N 3.22Å; C225-Y229 PolarHBondContact O-N 3.37Å; C225-Y229 VanDerWaalsContact O-N 3.11Å
226	V	96.4	Very high	93.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-67.3	-42.1	174.2	175.2	0	0	0	0	111.3	L27 V28 L32 A211 I215 M222 H223 A228 Y229 I230 A267	L27-V226 HydrophobicContact CD1-CG1 4.18Å; L27-V226 HydrophobicContact CD2-CB 4.16Å; L27-V226 HydrophobicContact CD2-CG1 3.98Å; L27-V226 HydrophobicContact CD2-CG2 3.64Å; V28-V226 HydrophobicContact CG2-CG2 4.28Å; L32-V226 HydrophobicContact CD1-CG2 4.09Å; A211-V226 HydrophobicContact CB-CG1 3.67Å; I215-V226 HydrophobicContact CD1-CB 4.19Å; I215-V226 HydrophobicContact CD1-CG1 4.07Å; I215-V226 HydrophobicContact CD1-CG2 3.72Å; M222-V226 HydrophobicContact CE-CG2 3.73Å; M222-V226 VanDerWaalsContact O-CG2 3.32Å; M222-V226 WeakPolarHBondContact O-CG2 3.35Å; M222-V226 PolarHBondContact O-N 3.2Å; H223-V226 PolarHBondContact O-N 3.05Å; V226-A228 VanDerWaalsContact C-N 3.27Å; V226-A228 PolarHBondContact O-N 2.87Å; V226-Y229 WeakPolarHBondContact O-CB 3.31Å; V226-Y229 PolarHBondContact O-N 2.86Å; V226-Y229 VanDerWaalsContact O-N 3.13Å; V226-I230 HydrophobicContact CG1-CD1 3.85Å; V226-I230 HydrophobicContact CG1-CG1 4.48Å; V226-I230 WeakPolarHBondContact O-CG1 3.28Å; V226-I230 PolarHBondContact O-N 2.91Å; V226-A267 HydrophobicContact CB-CB 3.82Å; V226-A267 HydrophobicContact CG1-CB 3.6Å
227	A	97.5	Very high	93.5	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.008	16%	0.156	C	C	.	.	H	α-helix	trans	-61.3	-37.4	173.9	0	0	0	0	0	111.9	H223 C224 Y229 I230 S231 M259 F261 F265 L291	H223-A227 PolarHBondContact O-N 3.23Å; C224-A227 PolarHBondContact O-N 3.46Å; A227-Y229 VanDerWaalsContact C-N 3.33Å; A227-Y229 PolarHBondContact O-N 3.22Å; A227-I230 PolarHBondContact O-N 3.34Å; A227-S231 VanDerWaalsContact O-CB 3.28Å; A227-S231 WeakPolarHBondContact O-CB 3.24Å; A227-S231 PolarHBondContact O-N 3.39Å; A227-S231 PolarHBondContact O-OG 3.29Å; A227-M259 HydrophobicContact CB-CE 4.49Å; A227-F261 HydrophobicContact CB-CE1 4.4Å; A227-F265 HydrophobicContact CB-CE2 3.69Å; A227-F265 HydrophobicContact CB-CZ 3.54Å; A227-L291 HydrophobicContact CB-CD1 4.42Å
228	A	97.8	Very high	94.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.6	-40.7	173.6	0	0	0	0	0	112.2	V60 L64 L80 C224 C225 V226 S231 M259	V60-A228 HydrophobicContact CG1-CB 3.98Å; L64-A228 HydrophobicContact CD2-CB 4.06Å; L80-A228 HydrophobicContact CD2-CB 4.36Å; C224-A228 WeakPolarHBondContact O-CB 3.42Å; C224-A228 PolarHBondContact O-N 3.19Å; C225-A228 WeakPolarHBondContact O-CB 3.33Å; C225-A228 PolarHBondContact O-N 3.22Å; V226-A228 VanDerWaalsContact C-N 3.27Å; V226-A228 PolarHBondContact O-N 2.87Å; A228-S231 PolarHBondContact O-OG 2.62Å; A228-M259 VanDerWaalsContact CA-SD 3.56Å; A228-M259 HydrophobicContact CB-CE 4.33Å; A228-M259 HydrophobicContact CB-SD 3.8Å
229	Y	95.4	Very high	94.9	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-59.8	-49.6	170.3	176.6	-79.9	0	0	0	112.5	L27 V31 L32 F55 G57 Q58 P184 I185 C225 V226 A227 S231	L27-Y229 HydrophobicContact CD1-CD1 3.81Å; L27-Y229 HydrophobicContact CD1-CE1 4Å; L27-Y229 HydrophobicContact CD1-CG 4.32Å; L27-Y229 HydrophobicContact CD2-CG 4.36Å; V31-Y229 HydrophobicContact CG1-CD2 4.05Å; V31-Y229 HydrophobicContact CG1-CE2 3.62Å; L32-Y229 HydrophobicContact CD2-CD2 4.39Å; F55-Y229 HydrophobicContact CD1-CD2 4.3Å; F55-Y229 AromaticContact CD1-CE2 3.66Å; F55-Y229 HydrophobicContact CD1-CE2 3.66Å; F55-Y229 AromaticContact CD1-CZ 3.82Å; F55-Y229 HydrophobicContact CE1-CD1 4.3Å; F55-Y229 HydrophobicContact CE1-CD2 4.1Å; F55-Y229 AromaticContact CE1-CE1 3.94Å; F55-Y229 HydrophobicContact CE1-CE1 3.94Å; F55-Y229 AromaticContact CE1-CE2 3.71Å; F55-Y229 HydrophobicContact CE1-CE2 3.71Å; F55-Y229 HydrophobicContact CE1-CG 4.36Å; F55-Y229 AromaticContact CE1-CZ 3.62Å; G57-Y229 WeakPolarHBondContact O-CA 3.39Å; Q58-Y229 HydrophobicContact CB-CD2 4.11Å; Q58-Y229 HydrophobicContact CB-CE2 4Å; P184-Y229 HydrophobicContact CG-CE1 4.24Å; I185-Y229 HydrophobicContact CG2-CD1 4.22Å; I185-Y229 HydrophobicContact CG2-CE1 4Å; C225-Y229 PolarHBondContact O-N 3.37Å; C225-Y229 VanDerWaalsContact O-N 3.11Å; V226-Y229 WeakPolarHBondContact O-CB 3.31Å; V226-Y229 PolarHBondContact O-N 2.86Å; V226-Y229 VanDerWaalsContact O-N 3.13Å; A227-Y229 VanDerWaalsContact C-N 3.33Å; A227-Y229 PolarHBondContact O-N 3.22Å; Y229-S231 VanDerWaalsContact C-N 3.33Å; Y229-S231 PolarHBondContact O-N 3.1Å
230	I	95.3	Very high	95.3	Very high	4 Å²	4	12.2 Å²	12.2	2%	0.021	7%	0.074	C	C	.	.	H	α-helix	trans	-63.5	-38.9	-177	-73.9	166.6	0	0	0	111.5	I185 V209 V226 A227 D232 Y233	I185-I230 HydrophobicContact CG2-CD1 4.24Å; I185-I230 HydrophobicContact CG2-CG1 3.77Å; V209-I230 HydrophobicContact CB-CG2 4.3Å; V209-I230 HydrophobicContact CG1-CG2 3.7Å; V209-I230 HydrophobicContact CG2-CD1 4.36Å; V209-I230 HydrophobicContact CG2-CG1 4.33Å; V209-I230 HydrophobicContact CG2-CG2 3.62Å; V226-I230 HydrophobicContact CG1-CD1 3.85Å; V226-I230 HydrophobicContact CG1-CG1 4.48Å; V226-I230 WeakPolarHBondContact O-CG1 3.28Å; V226-I230 PolarHBondContact O-N 2.91Å; A227-I230 PolarHBondContact O-N 3.34Å; I230-D232 PolarHBondContact O-N 2.99Å; I230-D232 VanDerWaalsContact O-N 3.15Å; I230-Y233 VanDerWaalsContact O-CB 3.23Å; I230-Y233 WeakPolarHBondContact O-CB 3.39Å; I230-Y233 PolarHBondContact O-N 2.94Å
231	S	96.3	Very high	95.2	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-63.5	-21.8	-170.4	64.9	0	0	0	0	115.2	A227 A228 Y229 F235 H257 M259 Y273	A227-S231 VanDerWaalsContact O-CB 3.28Å; A227-S231 WeakPolarHBondContact O-CB 3.24Å; A227-S231 PolarHBondContact O-N 3.39Å; A227-S231 PolarHBondContact O-OG 3.29Å; A228-S231 PolarHBondContact O-OG 2.62Å; Y229-S231 VanDerWaalsContact C-N 3.33Å; Y229-S231 PolarHBondContact O-N 3.1Å; S231-F235 WeakPolarHBondContact O-CB 3.24Å; S231-F235 WeakPolarHBondContact O-CD1 3.39Å; S231-H257 PolarHBondContact OG-NE2 2.9Å; S231-M259 PolarHBondContact OG-SD 3.4Å; S231-Y273 PolarHBondContact O-OH 2.87Å
232	D	93.5	Very high	95.2	Very high	16 Å²	16	11.2 Å²	11.2	9%	0.086	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-2.9	175	-168.7	38.8	0	0	0	112.3	F55 G56 G57 I230 S254 Q304	F55-D232 HydrophobicContact CE2-CB 4.37Å; F55-D232 HydrophobicContact CZ-CB 4.21Å; G56-D232 VanDerWaalsContact C-OD2 3.25Å; G56-D232 WeakPolarHBondContact CA-OD2 3.46Å; G57-D232 PolarHBondContact N-OD2 3.45Å; I230-D232 PolarHBondContact O-N 2.99Å; I230-D232 VanDerWaalsContact O-N 3.15Å; D232-S254 PolarHBondContact OD1-OG 3.44Å; D232-Q304 PolarHBondContact OD1-NE2 2.91Å; D232-Q304 PolarHBondContact OD1-OE1 2.81Å; D232-Q304 VanDerWaalsContact OD1-OE1 3.04Å
233	Y	89.5	Confident	95	Very high	47 Å²	47	13.9 Å²	13.9	18%	0.184	8%	0.083	C	C	.	.	S	Bend	trans	-80.3	125.9	179.5	-162.1	-79	0	0	0	111.4	W48 F55 V183 I185 I187 I230 F235	W48-Y233 HydrophobicContact CH2-CD2 4.42Å; W48-Y233 AromaticContact CH2-CE2 3.73Å; W48-Y233 HydrophobicContact CH2-CE2 3.73Å; W48-Y233 HydrophobicContact CZ3-CD2 4.4Å; W48-Y233 HydrophobicContact CZ3-CE2 4.16Å; F55-Y233 HydrophobicContact CZ-CD2 4.19Å; V183-Y233 HydrophobicContact CG1-CE2 4.16Å; I185-Y233 HydrophobicContact CD1-CD1 4.28Å; I185-Y233 HydrophobicContact CD1-CD2 3.81Å; I185-Y233 HydrophobicContact CD1-CE2 4.26Å; I185-Y233 HydrophobicContact CD1-CG 3.79Å; I187-Y233 HydrophobicContact CD1-CD1 3.2Å; I187-Y233 HydrophobicContact CD1-CE1 3.02Å; I187-Y233 HydrophobicContact CD1-CG 4.08Å; I230-Y233 VanDerWaalsContact O-CB 3.23Å; I230-Y233 WeakPolarHBondContact O-CB 3.39Å; I230-Y233 PolarHBondContact O-N 2.94Å; Y233-F235 PolarHBondContact O-N 2.85Å
234	A	85.8	Confident	94.5	Very high	45 Å²	45	15.9 Å²	15.9	37%	0.372	9%	0.092	S	C	.	.	S	Bend	trans	55.4	12.7	179.9	0	0	0	0	0	115.7	Q205 F207	Q205-A234 PolarHBondContact NE2-O 2.73Å; F207-A234 HydrophobicContact CE1-CB 4.34Å; F207-A234 HydrophobicContact CZ-CB 4.32Å
235	F	95.9	Very high	93.9	Very high	1 Å²	1	20.3 Å²	20.3	0%	0.004	11%	0.108	C	C	.	.			trans	-77.6	-59.3	-170.1	-173.2	-150.1	0	0	0	113.1	S231 Y233 G237 T238 H257 C275 V287 H288 C302 Q304	S231-F235 WeakPolarHBondContact O-CB 3.24Å; S231-F235 WeakPolarHBondContact O-CD1 3.39Å; Y233-F235 PolarHBondContact O-N 2.85Å; F235-G237 PolarHBondContact O-N 3.11Å; F235-G237 VanDerWaalsContact O-N 3.14Å; F235-T238 WeakPolarHBondContact O-CB 3.26Å; F235-T238 PolarHBondContact O-N 2.84Å; F235-T238 PolarHBondContact O-OG1 3.47Å; F235-H257 AromaticContact CD1-CE1 3.88Å; F235-H257 AromaticContact CE1-CE1 3.85Å; F235-H257 AromaticContact CE1-ND1 3.99Å; F235-C275 HydrophobicContact CD2-CB 4.13Å; F235-C275 HydrophobicContact CE2-CB 4.33Å; F235-V287 HydrophobicContact CD1-CG2 3.77Å; F235-V287 HydrophobicContact CD2-CB 4.06Å; F235-V287 HydrophobicContact CD2-CG2 3.75Å; F235-V287 HydrophobicContact CE1-CG2 3.64Å; F235-V287 HydrophobicContact CE2-CB 3.71Å; F235-V287 HydrophobicContact CE2-CG2 3.61Å; F235-V287 HydrophobicContact CG-CG2 3.83Å; F235-V287 HydrophobicContact CZ-CB 3.98Å; F235-V287 HydrophobicContact CZ-CG2 3.55Å; F235-V287 WeakPolarHBondContact CZ-O 3.42Å; F235-H288 VanDerWaalsContact CE2-C 3.43Å; F235-H288 WeakPolarHBondContact CE2-O 3.16Å; F235-C302 HydrophobicContact CE1-CB 3.95Å; F235-C302 HydrophobicContact CZ-CB 3.99Å; F235-Q304 HydrophobicContact CD1-CB 3.84Å; F235-Q304 HydrophobicContact CE1-CB 3.56Å
236	L	96.7	Very high	93.4	Very high	10 Å²	10	24.4 Å²	24.4	5%	0.052	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-59.6	-27	178.1	-176.2	59.4	0	0	0	113	T238 A239 M252 I308	L236-T238 PolarHBondContact O-N 2.87Å; L236-T238 VanDerWaalsContact O-N 3.11Å; L236-A239 PolarHBondContact O-N 2.9Å; L236-M252 HydrophobicContact CD2-CG 3.54Å; L236-M252 HydrophobicContact CD2-SD 4.18Å; L236-M252 HydrophobicContact CG-CG 4.13Å; L236-M252 HydrophobicContact CG-SD 4.11Å; L236-I308 HydrophobicContact CD1-CD1 4.13Å; L236-I308 HydrophobicContact CD1-CG1 4.4Å; L236-I308 HydrophobicContact CG-CD1 4.5Å
237	G	94.7	Very high	93.1	Very high	24 Å²	24	27.1 Å²	27.1	25%	0.247	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-57.1	-24.5	175.9	0	0	0	0	0	113.6	F235 A239 V240	F235-G237 PolarHBondContact O-N 3.11Å; F235-G237 VanDerWaalsContact O-N 3.14Å; G237-A239 PolarHBondContact O-N 3.19Å; G237-V240 WeakPolarHBondContact O-CB 3.17Å; G237-V240 PolarHBondContact O-N 3.25Å
238	T	96.4	Very high	92.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-55.5	-39.1	177.2	-47.1	0	0	0	0	112.2	P203 Q205 F235 L236 V240 L241 C275	P203-T238 WeakPolarHBondContact O-CG2 3.49Å; Q205-T238 HydrophobicContact CG-CG2 4.17Å; Q205-T238 PolarHBondContact NE2-OG1 3.26Å; F235-T238 WeakPolarHBondContact O-CB 3.26Å; F235-T238 PolarHBondContact O-N 2.84Å; F235-T238 PolarHBondContact O-OG1 3.47Å; L236-T238 PolarHBondContact O-N 2.87Å; L236-T238 VanDerWaalsContact O-N 3.11Å; T238-V240 PolarHBondContact O-N 3.11Å; T238-L241 HydrophobicContact CG2-CD1 4.22Å; T238-L241 WeakPolarHBondContact O-CG 3.41Å; T238-L241 PolarHBondContact O-N 3.23Å; T238-C275 HydrophobicContact CG2-CB 4.24Å; T238-C275 WeakPolarHBondContact OG1-CB 3.42Å
239	A	97.4	Very high	92.4	Very high	2 Å²	2	34.6 Å²	34.6	2%	0.017	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-69.2	-14.4	180	0	0	0	0	0	113.6	L236 G237 H243 S277 V287 I308	L236-A239 PolarHBondContact O-N 2.9Å; G237-A239 PolarHBondContact O-N 3.19Å; A239-H243 PolarHBondContact O-CD2 2.96Å; A239-S277 WeakPolarHBondContact CA-OG 3.24Å; A239-S277 WeakPolarHBondContact CB-OG 3.47Å; A239-V287 HydrophobicContact CB-CG1 4.02Å; A239-I308 HydrophobicContact CB-CD1 3.64Å
240	V	94.9	Very high	92.2	Very high	20 Å²	20	39.5 Å²	39.5	12%	0.121	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-90.6	-21.7	179.9	-176.4	0	0	0	0	111.7	G237 T238 P242 H243 Q244 V249 M252 I308	G237-V240 WeakPolarHBondContact O-CB 3.17Å; G237-V240 PolarHBondContact O-N 3.25Å; T238-V240 PolarHBondContact O-N 3.11Å; V240-P242 VanDerWaalsContact C-CD 3.49Å; V240-H243 WeakPolarHBondContact O-CA 3.28Å; V240-H243 PolarHBondContact O-N 2.8Å; V240-Q244 HydrophobicContact CG1-CB 4.31Å; V240-Q244 PolarHBondContact O-N 2.8Å; V240-V249 HydrophobicContact CB-CG2 4.37Å; V240-V249 HydrophobicContact CG1-CG2 3.48Å; V240-V249 VanDerWaalsContact CG1-CG2 3.48Å; V240-V249 HydrophobicContact CG2-CG2 3.89Å; V240-M252 HydrophobicContact CG2-SD 3.93Å; V240-I308 HydrophobicContact CG2-CD1 4.2Å; V240-I308 HydrophobicContact CG2-CG2 4.12Å
241	L	93.3	Very high	92.1	Very high	19 Å²	19	42.2 Å²	42.2	10%	0.099	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-42.4	-172.9	-63.1	173.8	0	0	0	114.2	M201 Q205 T238 H243 Q244	M201-L241 HydrophobicContact CB-CB 4.17Å; M201-L241 HydrophobicContact SD-CD2 4.32Å; Q205-L241 HydrophobicContact CB-CD1 3.87Å; Q205-L241 HydrophobicContact CG-CD1 4.15Å; T238-L241 HydrophobicContact CG2-CD1 4.22Å; T238-L241 WeakPolarHBondContact O-CG 3.41Å; T238-L241 PolarHBondContact O-N 3.23Å; L241-H243 PolarHBondContact O-N 3.07Å; L241-Q244 WeakPolarHBondContact O-CG 3.29Å; L241-Q244 PolarHBondContact O-NE2 2.8Å
242	P	93.8	Very high	92	Very high	19 Å²	19	46.1 Å²	46.1	12%	0.123	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-15.1	178	-19.4	33.2	0	0	0	114.5	M201 P203 V240 W245	M201-P242 VanDerWaalsContact O-CA 3.29Å; M201-P242 WeakPolarHBondContact O-CA 3.09Å; P203-P242 HydrophobicContact CB-CG 3.61Å; P203-P242 HydrophobicContact CG-CG 4.22Å; V240-P242 VanDerWaalsContact C-CD 3.49Å; P242-W245 VanDerWaalsContact O-CD1 3.25Å; P242-W245 PolarHBondContact O-NE1 2.87Å
243	H	92.4	Very high	92.1	Very high	76 Å²	76	48 Å²	48	35%	0.352	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-17.5	-166.8	-57.2	-64	0	0	0	113.7	A239 V240 L241 W245 Q246 H247	A239-H243 PolarHBondContact O-CD2 2.96Å; V240-H243 WeakPolarHBondContact O-CA 3.28Å; V240-H243 PolarHBondContact O-N 2.8Å; L241-H243 PolarHBondContact O-N 3.07Å; H243-W245 PolarHBondContact O-N 3.14Å; H243-W245 VanDerWaalsContact O-N 3.08Å; H243-Q246 PolarHBondContact O-N 2.71Å; H243-H247 WeakPolarHBondContact O-CB 3.38Å; H243-H247 PolarHBondContact O-N 2.95Å
244	Q	86.8	Confident	92.4	Very high	42 Å²	42	46.6 Å²	46.6	20%	0.196	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-24.8	-171.9	66.2	-174.3	-27	0	0	115	L198 M201 V240 L241 Q313	L198-Q244 HydrophobicContact CD2-CG 4.36Å; M201-Q244 PolarHBondContact SD-NE2 2.84Å; V240-Q244 HydrophobicContact CG1-CB 4.31Å; V240-Q244 PolarHBondContact O-N 2.8Å; L241-Q244 WeakPolarHBondContact O-CG 3.29Å; L241-Q244 PolarHBondContact O-NE2 2.8Å; Q244-Q313 PolarHBondContact O-NE2 3.46Å
245	W	84.8	Confident	93	Very high	99 Å²	99	47.1 Å²	47.1	38%	0.375	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-30.6	177.5	67.6	-78.7	0	0	0	112.8	L198 P242 H243	L198-W245 HydrophobicContact CB-CB 4.23Å; L198-W245 WeakPolarHBondContact O-CB 3.37Å; P242-W245 VanDerWaalsContact O-CD1 3.25Å; P242-W245 PolarHBondContact O-NE1 2.87Å; H243-W245 PolarHBondContact O-N 3.14Å; H243-W245 VanDerWaalsContact O-N 3.08Å
246	Q	87.7	Confident	93.1	Very high	88 Å²	88	48.7 Å²	48.7	41%	0.411	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-24	176.9	-75.9	176.7	-26.8	0	0	113.4	H243 Q313	H243-Q246 PolarHBondContact O-N 2.71Å; Q246-Q313 PolarHBondContact O-N 2.91Å
247	H	90.1	Very high	93.2	Very high	57 Å²	57	48.2 Å²	48.2	26%	0.264	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	142.2	-164.2	-66.8	-56.6	0	0	0	111.8	H243 V310 K311	H243-H247 WeakPolarHBondContact O-CB 3.38Å; H243-H247 PolarHBondContact O-N 2.95Å; H247-V310 HydrophobicContact CB-CB 3.93Å; H247-V310 HydrophobicContact CB-CG1 4.18Å; H247-V310 HydrophobicContact CB-CG2 4.17Å; H247-K311 CarbonylContact C-O 3.46Å; H247-K311 WeakPolarHBondContact CA-O 3.33Å
248	K	89.1	Confident	93.4	Very high	112 Å²	112	47.8 Å²	47.8	49%	0.487	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	123.5	169.8	-174.3	-178	-179.8	-177.3	0	109.2	H250 V310 K311 Q313	K248-H250 PolarHBondContact O-N 3.39Å; K248-V310 CarbonylContact O-C 3.57Å; K248-V310 VanDerWaalsContact O-CA 3.28Å; K248-V310 WeakPolarHBondContact O-CA 3.23Å; K248-K311 PolarHBondContact N-O 2.94Å; K248-K311 PolarHBondContact O-N 2.8Å; K248-Q313 HydrophobicContact CB-CG 4.36Å
249	V	91.1	Very high	93.5	Very high	46 Å²	46	47.8 Å²	47.8	28%	0.279	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	125.7	170	-179.9	0	0	0	0	109	V240 M252 I308 V310	V240-V249 HydrophobicContact CB-CG2 4.37Å; V240-V249 HydrophobicContact CG1-CG2 3.48Å; V240-V249 VanDerWaalsContact CG1-CG2 3.48Å; V240-V249 HydrophobicContact CG2-CG2 3.89Å; V249-M252 HydrophobicContact CG1-CB 3.66Å; V249-M252 HydrophobicContact CG1-SD 4.34Å; V249-I308 HydrophobicContact CG2-CG2 4.49Å; V249-V310 HydrophobicContact CG2-CG1 4.12Å
250	H	91.7	Very high	93.6	Very high	102 Å²	102	52.1 Å²	52.1	47%	0.472	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	-18.8	174.7	76.5	-86.2	0	0	0	112.7	K248 R309	K248-H250 PolarHBondContact O-N 3.39Å; H250-R309 WeakPolarHBondContact CE1-CB 3.39Å; H250-R309 PolarHBondContact N-O 2.86Å; H250-R309 PolarHBondContact ND1-O 3.14Å
251	F	92.9	Very high	93.8	Very high	62 Å²	62	52.1 Å²	52.1	27%	0.272	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	126.4	173.1	-179	-92.4	0	0	0	109.5	V253 V307 R309	F251-V253 HydrophobicContact CE1-CG1 3.67Å; F251-V253 HydrophobicContact CZ-CB 4.47Å; F251-V253 HydrophobicContact CZ-CG1 3.81Å; F251-V307 HydrophobicContact CD1-CG1 3.88Å; F251-V307 HydrophobicContact CE1-CB 4.24Å; F251-V307 HydrophobicContact CE1-CG1 3.82Å; F251-R309 HydrophobicContact CB-CB 4.16Å; F251-R309 HydrophobicContact CD1-CG 4.3Å; F251-R309 PolarHBondContact N-O 2.87Å; F251-R309 PolarHBondContact O-N 3.02Å
252	M	94.3	Very high	94	Very high	82 Å²	82	56.1 Å²	56.1	40%	0.404	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	132.3	178.2	-174.1	168.9	75.8	0	0	109.7	L236 V240 V249 V307 I308	L236-M252 HydrophobicContact CD2-CG 3.54Å; L236-M252 HydrophobicContact CD2-SD 4.18Å; L236-M252 HydrophobicContact CG-CG 4.13Å; L236-M252 HydrophobicContact CG-SD 4.11Å; V240-M252 HydrophobicContact CG2-SD 3.93Å; V249-M252 HydrophobicContact CG1-CB 3.66Å; V249-M252 HydrophobicContact CG1-SD 4.34Å; M252-V307 VanDerWaalsContact CA-O 3.24Å; M252-V307 WeakPolarHBondContact CA-O 3.08Å; M252-I308 HydrophobicContact CG-CG1 4.29Å; M252-I308 HydrophobicContact SD-CG1 4.45Å
253	V	94	Very high	94.1	Very high	55 Å²	55	56.4 Å²	56.4	33%	0.333	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	142.4	179.5	65.8	0	0	0	0	110.1	F251 G306 V307	F251-V253 HydrophobicContact CE1-CG1 3.67Å; F251-V253 HydrophobicContact CZ-CB 4.47Å; F251-V253 HydrophobicContact CZ-CG1 3.81Å; V253-G306 CarbonylContact O-C 3.59Å; V253-G306 WeakPolarHBondContact O-CA 3.28Å; V253-V307 HydrophobicContact CG1-CB 4.03Å; V253-V307 HydrophobicContact CG1-CG2 4.34Å; V253-V307 PolarHBondContact N-O 2.82Å; V253-V307 VanDerWaalsContact N-O 3.13Å; V253-V307 PolarHBondContact O-N 3.41Å
254	S	96.6	Very high	94.3	Very high	18 Å²	18	57 Å²	57	13%	0.126	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	140.9	173	-47.7	0	0	0	0	110.7	D232 Q304	D232-S254 PolarHBondContact OD1-OG 3.44Å; S254-Q304 PolarHBondContact OG-NE2 2.89Å; S254-Q304 PolarHBondContact OG-OE1 2.87Å
255	L	98.1	Very high	94.8	Very high	55 Å²	55	55.4 Å²	55.4	29%	0.288	27%	0.273	S	S	.	.			trans	-99.4	-47.8	174.9	-72.2	171.9	0	0	0	110.7	Y83 F84 E305 V307	Y83-L255 WeakPolarHBondContact CA-O 3.26Å; F84-L255 PolarHBondContact N-O 3.21Å; L255-E305 WeakPolarHBondContact CB-O 3.49Å; L255-E305 PolarHBondContact N-O 2.89Å; L255-V307 HydrophobicContact CD1-CG2 3.93Å; L255-V307 HydrophobicContact CD2-CG2 3.71Å; L255-V307 HydrophobicContact CG-CG2 3.89Å
256	D	98.8	Very high	95.3	Very high	34 Å²	34	53.1 Å²	53.1	18%	0.182	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	171.4	177.6	71.3	-4.3	0	0	0	110.6	C82 Y83 Q304 E305	C82-D256 CarbonylContact O-C 3.52Å; C82-D256 WeakPolarHBondContact O-CA 3.29Å; C82-D256 WeakPolarHBondContact O-CB 3.39Å; Y83-D256 HydrophobicContact CD1-CB 3.75Å; Y83-D256 HydrophobicContact CE1-CB 3.75Å; Y83-D256 HydrophobicContact CG-CB 4.3Å; D256-Q304 VanDerWaalsContact O-CG 3.23Å; D256-Q304 WeakPolarHBondContact O-CG 3.44Å; D256-Q304 PolarHBondContact O-OE1 3.38Å; D256-E305 PolarHBondContact N-O 2.82Å; D256-E305 PolarHBondContact OD1-N 2.9Å
257	H	98.8	Very high	95.7	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	136.7	167.1	-171.8	66.1	0	0	0	109.2	C82 F84 S231 F235 Q304	C82-H257 PolarHBondContact N-O 2.99Å; C82-H257 PolarHBondContact O-N 3.32Å; C82-H257 PolarHBondContact SG-O 3.5Å; F84-H257 HydrophobicContact CE2-CB 4.11Å; S231-H257 PolarHBondContact OG-NE2 2.9Å; F235-H257 AromaticContact CD1-CE1 3.88Å; F235-H257 AromaticContact CE1-CE1 3.85Å; F235-H257 AromaticContact CE1-ND1 3.99Å; H257-Q304 PolarHBondContact ND1-OE1 3.3Å
258	S	98.9	Very high	96	Very high	15 Å²	15	46.9 Å²	46.9	11%	0.105	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	141.9	179.5	-64.6	0	0	0	0	110.3	L80 H81 C302 A303	L80-S258 CarbonylContact O-C 3.52Å; L80-S258 VanDerWaalsContact O-CA 3.3Å; L80-S258 WeakPolarHBondContact O-CA 3.5Å; H81-S258 WeakPolarHBondContact ND1-CB 3.33Å; H81-S258 PolarHBondContact ND1-OG 2.85Å; S258-C302 CarbonylContact O-C 3.35Å; S258-C302 VanDerWaalsContact O-CA 3.23Å; S258-C302 WeakPolarHBondContact O-CA 3.47Å; S258-A303 PolarHBondContact N-O 3.49Å; S258-A303 PolarHBondContact O-N 3.06Å
259	M	98.9	Very high	96.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	147.9	177.5	-52.6	173.4	67.1	0	0	111.1	S79 L80 A227 A228 S231 F261 V300 T301	S79-M259 CarbonylContact C-O 3.54Å; S79-M259 WeakPolarHBondContact CA-O 3.4Å; S79-M259 WeakPolarHBondContact CB-O 3.47Å; L80-M259 HydrophobicContact CD1-CB 4.37Å; L80-M259 HydrophobicContact CD1-CG 4.14Å; L80-M259 HydrophobicContact CD1-SD 4.35Å; L80-M259 HydrophobicContact CD2-CB 4.42Å; L80-M259 HydrophobicContact CD2-SD 4Å; L80-M259 HydrophobicContact CG-CB 4.03Å; L80-M259 HydrophobicContact CG-CG 4.27Å; L80-M259 HydrophobicContact CG-SD 4.39Å; L80-M259 PolarHBondContact N-O 2.9Å; L80-M259 PolarHBondContact O-N 3.37Å; A227-M259 HydrophobicContact CB-CE 4.49Å; A228-M259 VanDerWaalsContact CA-SD 3.56Å; A228-M259 HydrophobicContact CB-CE 4.33Å; A228-M259 HydrophobicContact CB-SD 3.8Å; S231-M259 PolarHBondContact OG-SD 3.4Å; M259-F261 HydrophobicContact CB-CE2 4.1Å; M259-F261 HydrophobicContact CB-CZ 4.19Å; M259-F261 HydrophobicContact CE-CE1 3.89Å; M259-F261 HydrophobicContact CE-CZ 3.78Å; M259-F261 HydrophobicContact SD-CZ 4.17Å; M259-V300 HydrophobicContact CB-CG1 4.32Å; M259-V300 HydrophobicContact CE-CG1 3.68Å; M259-T301 CarbonylContact C-O 3.59Å; M259-T301 VanDerWaalsContact CA-O 3.28Å; M259-T301 WeakPolarHBondContact CA-O 3.36Å
260	W	98.9	Very high	96.7	Very high	94 Å²	94	44.5 Å²	44.5	36%	0.356	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	125.8	172.5	-62.2	-97.9	0	0	0	108.9	H78 H81 H262 V300 T301 A303	H78-W260 CarbonylContact O-C 3.56Å; H78-W260 WeakPolarHBondContact O-CA 3.35Å; H81-W260 AromaticContact CE1-CE2 3.78Å; H81-W260 AromaticContact CE1-CZ2 3.43Å; H81-W260 VanDerWaalsContact CE1-CZ2 3.43Å; H81-W260 WeakPolarHBondContact CE1-CZ2 3.44Å; H81-W260 AromaticContact CE1-NE1 4Å; W260-H262 PolarHBondContact O-NE2 3.28Å; W260-V300 CarbonylContact O-C 3.52Å; W260-V300 VanDerWaalsContact O-CA 3.28Å; W260-V300 WeakPolarHBondContact O-CA 3.34Å; W260-V300 VanDerWaalsContact O-CG1 3.31Å; W260-V300 WeakPolarHBondContact O-CG1 3.35Å; W260-T301 PolarHBondContact N-O 2.96Å; W260-T301 PolarHBondContact O-N 3.42Å; W260-A303 HydrophobicContact CH2-CB 4.49Å; W260-A303 HydrophobicContact CZ3-CB 4.15Å
261	F	98.6	Very high	97	Very high	19 Å²	19	40 Å²	40	8%	0.083	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	119.4	-177.1	-55	-94.5	0	0	0	108.6	L64 V77 H78 L80 C224 A227 M259 F265 V300	L64-F261 HydrophobicContact CD2-CE2 4.48Å; L64-F261 HydrophobicContact CD2-CZ 4.04Å; V77-F261 HydrophobicContact CB-CD2 4.45Å; V77-F261 HydrophobicContact CG1-CD2 3.95Å; V77-F261 HydrophobicContact CG1-CE2 4.03Å; V77-F261 HydrophobicContact CG1-CG 4.29Å; V77-F261 HydrophobicContact CG1-CZ 4.42Å; V77-F261 HydrophobicContact CG2-CD2 3.86Å; V77-F261 HydrophobicContact CG2-CE2 3.75Å; H78-F261 PolarHBondContact O-N 3.24Å; L80-F261 HydrophobicContact CD2-CE2 4.06Å; L80-F261 HydrophobicContact CD2-CZ 4.14Å; C224-F261 HydrophobicContact CB-CD1 3.98Å; C224-F261 HydrophobicContact CB-CE1 3.69Å; C224-F261 HydrophobicContact CB-CZ 4.19Å; A227-F261 HydrophobicContact CB-CE1 4.4Å; M259-F261 HydrophobicContact CB-CE2 4.1Å; M259-F261 HydrophobicContact CB-CZ 4.19Å; M259-F261 HydrophobicContact CE-CE1 3.89Å; M259-F261 HydrophobicContact CE-CZ 3.78Å; M259-F261 HydrophobicContact SD-CZ 4.17Å; F261-F265 HydrophobicContact CD1-CE1 4.17Å; F261-F265 HydrophobicContact CD1-CZ 4.38Å; F261-V300 HydrophobicContact CD1-CG1 4.11Å; F261-V300 HydrophobicContact CD1-CG2 3.79Å; F261-V300 HydrophobicContact CE1-CG1 4.23Å; F261-V300 HydrophobicContact CE1-CG2 4.27Å
262	H	97.7	Very high	97.3	Very high	104 Å²	104	37 Å²	37	48%	0.481	19%	0.189	S	C	.	.			trans	-107.9	-32.9	-166.9	-52	-61.8	0	0	0	113.2	W260 A299 T301	W260-H262 PolarHBondContact O-NE2 3.28Å; H262-A299 PolarHBondContact N-O 3.26Å; H262-T301 WeakPolarHBondContact NE2-CB 3.24Å; H262-T301 PolarHBondContact NE2-N 3.01Å; H262-T301 PolarHBondContact NE2-OG1 3.18Å
263	A	96.1	Very high	97.5	Very high	25 Å²	25	33.1 Å²	33.1	21%	0.207	17%	0.169	C	C	.	.	S	Bend	trans	-146.2	155.8	-174.5	0	0	0	0	0	111.2	F265 V297	A263-F265 WeakPolarHBondContact O-CD1 3.3Å; A263-V297 HydrophobicContact CB-CG1 3.69Å
264	P	95.7	Very high	97.7	Very high	88 Å²	88	31 Å²	31	57%	0.571	16%	0.156	S	C	*	.			trans	-60.1	140.6	170.1	-25.2	35.9	0	0	0	112.8	M220 R293	M220-P264 HydrophobicContact CE-CB 3.64Å; M220-P264 HydrophobicContact SD-CB 4.36Å; P264-R293 WeakPolarHBondContact O-CD 3.41Å; P264-R293 PolarHBondContact O-NH1 2.97Å
265	F	97.3	Very high	97.8	Very high	8 Å²	8	30.1 Å²	30.1	4%	0.035	15%	0.15	C	C	.	.			trans	-152.9	169.8	176.6	64.7	-85.7	0	0	0	111.4	M220 H223 A227 F261 A263 A267 M271 R293 A299 V300	M220-F265 VanDerWaalsContact CE-O 3.26Å; M220-F265 WeakPolarHBondContact CE-O 3.34Å; H223-F265 HydrophobicContact CB-CE2 4.27Å; A227-F265 HydrophobicContact CB-CE2 3.69Å; A227-F265 HydrophobicContact CB-CZ 3.54Å; F261-F265 HydrophobicContact CD1-CE1 4.17Å; F261-F265 HydrophobicContact CD1-CZ 4.38Å; A263-F265 WeakPolarHBondContact O-CD1 3.3Å; F265-A267 HydrophobicContact CD2-CB 4.47Å; F265-A267 HydrophobicContact CE2-CB 4.08Å; F265-M271 HydrophobicContact CB-CE 3.89Å; F265-M271 HydrophobicContact CD2-CE 3.6Å; F265-M271 HydrophobicContact CD2-SD 3.5Å; F265-M271 WeakPolarHBondContact CD2-SD 3.4Å; F265-M271 HydrophobicContact CE2-CE 4.29Å; F265-M271 HydrophobicContact CE2-SD 4.04Å; F265-M271 HydrophobicContact CG-CE 3.75Å; F265-M271 HydrophobicContact CG-SD 4.24Å; F265-R293 HydrophobicContact CB-CG 4Å; F265-A299 HydrophobicContact CB-CB 3.87Å; F265-A299 HydrophobicContact CD1-CB 3.68Å; F265-A299 HydrophobicContact CE1-CB 4.46Å; F265-A299 HydrophobicContact CG-CB 3.89Å; F265-V300 HydrophobicContact CD1-CG2 4.33Å; F265-V300 HydrophobicContact CE1-CG2 3.67Å; F265-V300 HydrophobicContact CZ-CG2 3.93Å
266	R	96.8	Very high	97.8	Very high	51 Å²	51	30.1 Å²	30.1	19%	0.192	15%	0.148	C	C	.	.			trans	-115.4	112.5	173.5	-81.4	-166.8	60.9	173.7	-4.7	109.9	Y214 E217 D268 H269	Y214-R266 VanDerWaalsContact CE2-NH2 3.33Å; E217-R266 IonicContact OE1-NH1 3.37Å; E217-R266 PolarHBondContact OE1-NH1 3.45Å; R266-D268 WeakPolarHBondContact CB-OD1 3.38Å; R266-D268 IonicContact CZ-OD1 3.22Å; R266-D268 IonicContact CZ-OD2 2.62Å; R266-D268 IonicContact NE-OD1 2.73Å; R266-D268 PolarHBondContact NE-OD1 3.17Å; R266-D268 IonicContact NE-OD2 3.61Å; R266-D268 VanDerWaalsContact NH2-CG 3.25Å; R266-D268 IonicContact NH2-OD1 2.94Å; R266-D268 PolarHBondContact NH2-OD1 3.22Å; R266-D268 IonicContact NH2-OD2 3.64Å; R266-D268 PolarHBondContact NH2-OD2 2.96Å; R266-D268 PolarHBondContact O-N 2.98Å; R266-H269 HydrophobicContact CB-CB 4.08Å; R266-H269 PolarHBondContact NE-NE2 3.4Å; R266-H269 PolarHBondContact NH1-NE2 3.01Å; R266-H269 WeakPolarHBondContact O-CB 3.32Å; R266-H269 PolarHBondContact O-N 3.41Å; R266-H269 VanDerWaalsContact O-N 3.08Å
267	A	96.2	Very high	97.7	Very high	1 Å²	1	29 Å²	29	1%	0.008	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-14.6	-179.8	0	0	0	0	0	113.9	A211 I215 H223 V226 F265	A211-A267 PolarHBondContact N-O 3.06Å; I215-A267 HydrophobicContact CD1-CB 4.13Å; H223-A267 HydrophobicContact CB-CB 4.31Å; H223-A267 PolarHBondContact ND1-N 2.89Å; V226-A267 HydrophobicContact CB-CB 3.82Å; V226-A267 HydrophobicContact CG1-CB 3.6Å; F265-A267 HydrophobicContact CD2-CB 4.47Å; F265-A267 HydrophobicContact CE2-CB 4.08Å
268	D	95.6	Very high	97.7	Very high	13 Å²	13	32.7 Å²	32.7	7%	0.07	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-0.7	171.8	56.7	-5.6	0	0	0	112.8	G213 I215 H223 R266	G213-D268 WeakPolarHBondContact O-CB 3.24Å; I215-D268 HydrophobicContact CD1-CB 3.91Å; I215-D268 HydrophobicContact CG1-CB 4.05Å; I215-D268 PolarHBondContact N-OD2 2.86Å; H223-D268 IonicContact CE1-OD1 3.31Å; H223-D268 PolarHBondContact CE1-OD1 3.46Å; H223-D268 VanDerWaalsContact CE1-OD1 3.31Å; R266-D268 WeakPolarHBondContact CB-OD1 3.38Å; R266-D268 IonicContact CZ-OD1 3.22Å; R266-D268 IonicContact CZ-OD2 2.62Å; R266-D268 IonicContact NE-OD1 2.73Å; R266-D268 PolarHBondContact NE-OD1 3.17Å; R266-D268 IonicContact NE-OD2 3.61Å; R266-D268 VanDerWaalsContact NH2-CG 3.25Å; R266-D268 IonicContact NH2-OD1 2.94Å; R266-D268 PolarHBondContact NH2-OD1 3.22Å; R266-D268 IonicContact NH2-OD2 3.64Å; R266-D268 PolarHBondContact NH2-OD2 2.96Å; R266-D268 PolarHBondContact O-N 2.98Å
269	H	96.5	Very high	97.7	Very high	89 Å²	89	37.4 Å²	37.4	41%	0.412	18%	0.183	S	C	.	.	S	Bend	trans	-95.7	158.8	165	-69.2	-168	0	0	0	110.1	R210 R266 M271	R210-H269 VanDerWaalsContact CB-O 3.24Å; R210-H269 WeakPolarHBondContact CB-O 3.24Å; R266-H269 HydrophobicContact CB-CB 4.08Å; R266-H269 PolarHBondContact NE-NE2 3.4Å; R266-H269 PolarHBondContact NH1-NE2 3.01Å; R266-H269 WeakPolarHBondContact O-CB 3.32Å; R266-H269 PolarHBondContact O-N 3.41Å; R266-H269 VanDerWaalsContact O-N 3.08Å; H269-M271 PolarHBondContact O-N 2.8Å
270	W	97.9	Very high	97.7	Very high	19 Å²	19	39.4 Å²	39.4	7%	0.072	20%	0.2	C	C	.	.			trans	-60.7	127.6	174.5	-73	119.6	0	0	0	110.9	P148 E186 K188 W208 R210 Q294	P148-W270 HydrophobicContact CB-CD2 3.88Å; P148-W270 HydrophobicContact CB-CE3 4.42Å; P148-W270 HydrophobicContact CB-CG 3.97Å; P148-W270 HydrophobicContact CB-CZ2 4.47Å; P148-W270 HydrophobicContact CG-CB 4.02Å; P148-W270 HydrophobicContact CG-CD2 4.14Å; P148-W270 HydrophobicContact CG-CG 3.66Å; E186-W270 HydrophobicContact CB-CH2 3.65Å; E186-W270 HydrophobicContact CB-CZ2 4.49Å; E186-W270 HydrophobicContact CB-CZ3 4.1Å; K188-W270 HydrophobicContact CD-CH2 3.87Å; K188-W270 HydrophobicContact CD-CZ2 4.04Å; K188-W270 HydrophobicContact CG-CH2 3.83Å; K188-W270 HydrophobicContact CG-CZ2 4.49Å; K188-W270 HydrophobicContact CG-CZ3 4.31Å; W208-W270 HydrophobicContact CB-CD2 4.48Å; W208-W270 HydrophobicContact CB-CE3 3.73Å; W208-W270 HydrophobicContact CB-CZ3 4.04Å; W208-W270 HydrophobicContact CE3-CB 3.88Å; W208-W270 HydrophobicContact CZ3-CB 4.32Å; R210-W270 HydrophobicContact CB-CD2 4.4Å; R210-W270 HydrophobicContact CB-CE3 4.05Å; R210-W270 HydrophobicContact CB-CZ3 4.46Å; R210-W270 HydrophobicContact CG-CD2 3.99Å; R210-W270 HydrophobicContact CG-CE3 3.76Å; R210-W270 HydrophobicContact CG-CH2 4.11Å; R210-W270 HydrophobicContact CG-CZ2 4.3Å; R210-W270 HydrophobicContact CG-CZ3 3.84Å; W270-Q294 HydrophobicContact CB-CG 4.16Å
271	M	98.4	Very high	97.6	Very high	7 Å²	7	36.1 Å²	36.1	3%	0.034	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	136.5	171.7	-59.5	-173.2	78	0	0	109.1	W208 V209 F265 H269 Y273 L291 W292 A299	W208-M271 WeakPolarHBondContact CA-O 3.49Å; V209-M271 PolarHBondContact N-O 2.8Å; V209-M271 PolarHBondContact O-N 3.29Å; F265-M271 HydrophobicContact CB-CE 3.89Å; F265-M271 HydrophobicContact CD2-CE 3.6Å; F265-M271 HydrophobicContact CD2-SD 3.5Å; F265-M271 WeakPolarHBondContact CD2-SD 3.4Å; F265-M271 HydrophobicContact CE2-CE 4.29Å; F265-M271 HydrophobicContact CE2-SD 4.04Å; F265-M271 HydrophobicContact CG-CE 3.75Å; F265-M271 HydrophobicContact CG-SD 4.24Å; H269-M271 PolarHBondContact O-N 2.8Å; M271-Y273 PolarHBondContact O-N 3.11Å; M271-L291 HydrophobicContact CB-CD2 4.36Å; M271-L291 HydrophobicContact CE-CB 3.97Å; M271-W292 CarbonylContact C-O 3.47Å; M271-W292 WeakPolarHBondContact CA-O 3.36Å; M271-W292 WeakPolarHBondContact CB-O 3.27Å; M271-A299 HydrophobicContact CE-CB 3.54Å
272	L	98.6	Very high	97.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	120.3	173.1	175.1	68.1	0	0	0	107.7	M142 V145 I190 M206 W208 L291 W292	M142-L272 HydrophobicContact CE-CB 4.4Å; M142-L272 HydrophobicContact CE-CD2 3.9Å; M142-L272 HydrophobicContact CG-CD2 4.02Å; M142-L272 HydrophobicContact SD-CD2 4.37Å; V145-L272 HydrophobicContact CG1-CD2 4.38Å; V145-L272 HydrophobicContact CG2-CD1 3.94Å; V145-L272 HydrophobicContact CG2-CD2 3.83Å; V145-L272 HydrophobicContact CG2-CG 4.48Å; I190-L272 HydrophobicContact CG1-CD1 4.45Å; M206-L272 HydrophobicContact CB-CD1 4.11Å; W208-L272 HydrophobicContact CD2-CB 4.3Å; W208-L272 HydrophobicContact CD2-CD1 4.43Å; W208-L272 HydrophobicContact CE3-CB 3.97Å; W208-L272 VanDerWaalsContact CE3-N 3.32Å; W208-L272 HydrophobicContact CH2-CB 3.85Å; W208-L272 HydrophobicContact CZ2-CB 4.2Å; W208-L272 HydrophobicContact CZ3-CB 3.72Å; W208-L272 VanDerWaalsContact CZ3-N 3.28Å; L272-L291 WeakPolarHBondContact O-CA 3.44Å; L272-W292 HydrophobicContact CB-CB 4.19Å; L272-W292 PolarHBondContact N-O 3.2Å; L272-W292 PolarHBondContact O-N 3.39Å
273	Y	98.4	Very high	97.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	105.3	170.2	-158.3	176.5	0	0	0	109.6	M206 F207 S231 M271 L291	M206-Y273 VanDerWaalsContact CA-O 3.3Å; M206-Y273 WeakPolarHBondContact CA-O 3.31Å; F207-Y273 HydrophobicContact CE1-CD1 4.3Å; F207-Y273 AromaticContact CE2-CD1 3.64Å; F207-Y273 HydrophobicContact CE2-CD1 3.64Å; F207-Y273 HydrophobicContact CE2-CG 4.13Å; F207-Y273 AromaticContact CZ-CD1 3.37Å; F207-Y273 HydrophobicContact CZ-CD1 3.37Å; F207-Y273 HydrophobicContact CZ-CE1 4.16Å; F207-Y273 AromaticContact CZ-CG 3.92Å; F207-Y273 HydrophobicContact CZ-CG 3.92Å; F207-Y273 PolarHBondContact N-O 2.96Å; F207-Y273 VanDerWaalsContact N-O 3.14Å; F207-Y273 PolarHBondContact O-N 3.15Å; S231-Y273 PolarHBondContact O-OH 2.87Å; M271-Y273 PolarHBondContact O-N 3.11Å; Y273-L291 HydrophobicContact CD1-CD2 3.94Å; Y273-L291 HydrophobicContact CD2-CD2 3.79Å; Y273-L291 HydrophobicContact CD2-CG 3.92Å; Y273-L291 HydrophobicContact CE2-CD2 4.4Å; Y273-L291 HydrophobicContact CE2-CG 4.15Å; Y273-L291 HydrophobicContact CG-CD2 3.52Å; Y273-L291 HydrophobicContact CG-CG 4.16Å
274	E	98.3	Very high	97.6	Very high	11 Å²	11	40.3 Å²	40.3	5%	0.051	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	122.2	170.8	176.4	-173.6	-141.5	0	0	109.5	P143 K204 M206 G289 R290	P143-E274 WeakPolarHBondContact CG-OE1 3.35Å; K204-E274 WeakPolarHBondContact CE-OE1 3.16Å; K204-E274 IonicContact NZ-OE1 2.73Å; K204-E274 PolarHBondContact NZ-OE1 2.7Å; M206-E274 HydrophobicContact CE-CG 4.08Å; M206-E274 HydrophobicContact CG-CB 4.3Å; M206-E274 HydrophobicContact CG-CG 4.23Å; E274-G289 CarbonylContact O-C 3.47Å; E274-G289 VanDerWaalsContact O-CA 3.24Å; E274-G289 WeakPolarHBondContact O-CA 3.35Å; E274-R290 HydrophobicContact CB-CB 4.42Å; E274-R290 PolarHBondContact N-O 3.08Å; E274-R290 PolarHBondContact O-N 3.03Å; E274-R290 IonicContact OE2-CZ 3.28Å; E274-R290 IonicContact OE2-NH1 2.9Å; E274-R290 PolarHBondContact OE2-NH1 2.99Å
275	C	98.4	Very high	97.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	137.3	178.3	-59	0	0	0	0	110.9	K204 Q205 F235 T238 H288	K204-C275 WeakPolarHBondContact CA-O 3.27Å; K204-C275 WeakPolarHBondContact CG-O 3.39Å; Q205-C275 HydrophobicContact CG-CB 3.94Å; Q205-C275 PolarHBondContact N-O 2.74Å; Q205-C275 PolarHBondContact O-N 3.04Å; Q205-C275 VanDerWaalsContact O-O 3.04Å; F235-C275 HydrophobicContact CD2-CB 4.13Å; F235-C275 HydrophobicContact CE2-CB 4.33Å; T238-C275 HydrophobicContact CG2-CB 4.24Å; T238-C275 WeakPolarHBondContact OG1-CB 3.42Å; C275-H288 WeakPolarHBondContact CA-O 3.43Å
276	E	98.1	Very high	97.8	Very high	55 Å²	55	38.2 Å²	38.2	26%	0.257	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	152	174	67.4	-168.8	159.5	0	0	111.6	P203 K204 V287 H288 R290	P203-E276 CarbonylContact O-C 3.46Å; P203-E276 VanDerWaalsContact O-CA 3.27Å; P203-E276 WeakPolarHBondContact O-CA 3.38Å; K204-E276 HydrophobicContact CG-CB 4.39Å; E276-V287 CarbonylContact O-C 3.59Å; E276-V287 VanDerWaalsContact O-CA 3.28Å; E276-V287 WeakPolarHBondContact O-CA 3.4Å; E276-H288 HydrophobicContact CG-CB 4.08Å; E276-H288 PolarHBondContact N-O 2.93Å; E276-H288 PolarHBondContact O-N 3.34Å; E276-R290 IonicContact OE1-CZ 2.82Å; E276-R290 IonicContact OE1-NH1 3.48Å; E276-R290 PolarHBondContact OE1-NH1 2.89Å; E276-R290 VanDerWaalsContact OE1-NH1 3.1Å; E276-R290 IonicContact OE1-NH2 3.92Å; E276-R290 PolarHBondContact OE1-NH2 3.3Å
277	S	98.5	Very high	97.9	Very high	9 Å²	9	35.8 Å²	35.8	6%	0.063	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	96.4	175.3	163.8	0	0	0	0	109.9	P203 A239 W279 L286	P203-S277 WeakPolarHBondContact CB-O 3.38Å; P203-S277 PolarHBondContact O-N 3.39Å; A239-S277 WeakPolarHBondContact CA-OG 3.24Å; A239-S277 WeakPolarHBondContact CB-OG 3.47Å; S277-W279 PolarHBondContact O-N 2.9Å; S277-L286 VanDerWaalsContact CA-O 3.29Å; S277-L286 WeakPolarHBondContact CA-O 3.49Å; S277-L286 WeakPolarHBondContact CB-O 3.37Å; S277-L286 PolarHBondContact OG-O 3.31Å
278	P	98.1	Very high	98	Very high	79 Å²	79	38.9 Å²	38.9	51%	0.513	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	-20.7	179.5	28.5	-37.4	0	0	0	113.4	L286	P278-L286 WeakPolarHBondContact CD-O 3.47Å; P278-L286 HydrophobicContact CG-CD2 4.02Å; P278-L286 HydrophobicContact CG-CG 4.18Å
279	W	98.5	Very high	98.1	Very high	113 Å²	113	38.3 Å²	38.3	43%	0.428	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	140.2	-175.4	-178.4	87.2	0	0	0	113.2	S277 G281 R284 L286	S277-W279 PolarHBondContact O-N 2.9Å; W279-G281 WeakPolarHBondContact CH2-O 2.98Å; W279-R284 HydrophobicContact CZ3-CB 4.12Å; W279-L286 HydrophobicContact CE3-CB 4.5Å; W279-L286 PolarHBondContact O-N 3.44Å
280	A	98.1	Very high	98.2	Very high	43 Å²	43	36.2 Å²	36.2	36%	0.355	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	135.2	166.4	0	0	0	0	0	110.5	R284	A280-R284 CarbonylContact C-O 3.59Å; A280-R284 WeakPolarHBondContact CA-O 3.4Å
281	G	97.1	Very high	98.3	Very high	25 Å²	25	35.3 Å²	35.3	26%	0.258	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	176.7	163.5	-175.9	0	0	0	0	0	112.2	W279 S283 R284	W279-G281 WeakPolarHBondContact CH2-O 2.98Å; G281-S283 PolarHBondContact O-N 3.19Å; G281-S283 VanDerWaalsContact O-N 3.11Å; G281-R284 PolarHBondContact N-O 3.21Å; G281-R284 PolarHBondContact O-N 2.79Å
282	G	96.6	Very high	98.3	Very high	66 Å²	66	35 Å²	35	68%	0.68	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	32.6	176.3	0	0	0	0	0	114.6	R284	G282-R284 VanDerWaalsContact C-N 3.3Å; G282-R284 PolarHBondContact O-N 2.81Å
283	S	97.2	Very high	98.3	Very high	71 Å²	71	38.8 Å²	38.8	50%	0.497	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	27.5	-172	-52.8	0	0	0	0	115.3	G281 V307 I308	G281-S283 PolarHBondContact O-N 3.19Å; G281-S283 VanDerWaalsContact O-N 3.11Å; S283-V307 WeakPolarHBondContact O-CA 3.48Å; S283-I308 CarbonylContact C-O 3.46Å; S283-I308 VanDerWaalsContact CA-O 3.29Å; S283-I308 WeakPolarHBondContact CA-O 3.19Å; S283-I308 PolarHBondContact O-N 3.47Å
284	R	98.4	Very high	98.2	Very high	98 Å²	98	43.3 Å²	43.3	37%	0.37	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	161.5	175.3	-56.5	-170.7	-50.5	-78.3	1.2	111.3	W279 A280 G281 G282 E305 G306	W279-R284 HydrophobicContact CZ3-CB 4.12Å; A280-R284 CarbonylContact C-O 3.59Å; A280-R284 WeakPolarHBondContact CA-O 3.4Å; G281-R284 PolarHBondContact N-O 3.21Å; G281-R284 PolarHBondContact O-N 2.79Å; G282-R284 VanDerWaalsContact C-N 3.3Å; G282-R284 PolarHBondContact O-N 2.81Å; R284-E305 HydrophobicContact CB-CG 4.24Å; R284-E305 WeakPolarHBondContact CD-OE1 3.42Å; R284-E305 WeakPolarHBondContact CD-OE2 3.4Å; R284-E305 IonicContact CZ-OE1 2.98Å; R284-E305 IonicContact NE-OE1 3.14Å; R284-E305 PolarHBondContact NE-OE1 2.92Å; R284-E305 IonicContact NE-OE2 2.85Å; R284-E305 PolarHBondContact NE-OE2 3.47Å; R284-E305 IonicContact NH2-OE1 3.43Å; R284-G306 CarbonylContact C-O 3.56Å; R284-G306 WeakPolarHBondContact CA-O 3.11Å
285	G	98.4	Very high	98.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	137	170.3	0	0	0	0	0	110.3	E305 G306	G285-E305 WeakPolarHBondContact O-CA 3.29Å; G285-E305 WeakPolarHBondContact O-CG 3.49Å; G285-G306 PolarHBondContact N-O 3.13Å; G285-G306 PolarHBondContact O-N 3.13Å
286	L	98.8	Very high	98.1	Very high	52 Å²	52	48.4 Å²	48.4	27%	0.272	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	131.9	175	175.4	63.5	0	0	0	108.8	S277 P278 W279	S277-L286 VanDerWaalsContact CA-O 3.29Å; S277-L286 WeakPolarHBondContact CA-O 3.49Å; S277-L286 WeakPolarHBondContact CB-O 3.37Å; S277-L286 PolarHBondContact OG-O 3.31Å; P278-L286 WeakPolarHBondContact CD-O 3.47Å; P278-L286 HydrophobicContact CG-CD2 4.02Å; P278-L286 HydrophobicContact CG-CG 4.18Å; W279-L286 HydrophobicContact CE3-CB 4.5Å; W279-L286 PolarHBondContact O-N 3.44Å
287	V	98.8	Very high	98.1	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	141.9	175.5	-65.7	0	0	0	0	111.2	F235 A239 E276 A303 Q304	F235-V287 HydrophobicContact CD1-CG2 3.77Å; F235-V287 HydrophobicContact CD2-CB 4.06Å; F235-V287 HydrophobicContact CD2-CG2 3.75Å; F235-V287 HydrophobicContact CE1-CG2 3.64Å; F235-V287 HydrophobicContact CE2-CB 3.71Å; F235-V287 HydrophobicContact CE2-CG2 3.61Å; F235-V287 HydrophobicContact CG-CG2 3.83Å; F235-V287 HydrophobicContact CZ-CB 3.98Å; F235-V287 HydrophobicContact CZ-CG2 3.55Å; F235-V287 WeakPolarHBondContact CZ-O 3.42Å; A239-V287 HydrophobicContact CB-CG1 4.02Å; E276-V287 CarbonylContact O-C 3.59Å; E276-V287 VanDerWaalsContact O-CA 3.28Å; E276-V287 WeakPolarHBondContact O-CA 3.4Å; V287-A303 WeakPolarHBondContact O-CA 3.41Å; V287-Q304 HydrophobicContact CG2-CB 3.85Å; V287-Q304 HydrophobicContact CG2-CG 4.3Å; V287-Q304 VanDerWaalsContact CG2-O 3.24Å; V287-Q304 WeakPolarHBondContact CG2-O 3.38Å; V287-Q304 PolarHBondContact N-O 3.32Å; V287-Q304 PolarHBondContact O-N 3.29Å
288	H	98.8	Very high	98.2	Very high	67 Å²	67	47.8 Å²	47.8	31%	0.31	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	142.7	172	-64.5	159.6	0	0	0	109.8	F235 C275 E276 C302	F235-H288 VanDerWaalsContact CE2-C 3.43Å; F235-H288 WeakPolarHBondContact CE2-O 3.16Å; C275-H288 WeakPolarHBondContact CA-O 3.43Å; E276-H288 HydrophobicContact CG-CB 4.08Å; E276-H288 PolarHBondContact N-O 2.93Å; E276-H288 PolarHBondContact O-N 3.34Å; H288-C302 WeakPolarHBondContact CA-O 3.27Å
289	G	98.5	Very high	98.2	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	146.7	-173.3	0	0	0	0	0	112.4	E274 T301 C302	E274-G289 CarbonylContact O-C 3.47Å; E274-G289 VanDerWaalsContact O-CA 3.24Å; E274-G289 WeakPolarHBondContact O-CA 3.35Å; G289-T301 CarbonylContact O-C 3.52Å; G289-T301 WeakPolarHBondContact O-CA 3.29Å; G289-C302 PolarHBondContact N-O 3.15Å; G289-C302 PolarHBondContact O-N 2.73Å
290	R	98.8	Very high	98.2	Very high	45 Å²	45	38.7 Å²	38.7	17%	0.17	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	123.2	173.8	-62.5	-179.3	-162.5	84.7	10.8	109.3	E274 E276 W292 L298 V300	E274-R290 HydrophobicContact CB-CB 4.42Å; E274-R290 PolarHBondContact N-O 3.08Å; E274-R290 PolarHBondContact O-N 3.03Å; E274-R290 IonicContact OE2-CZ 3.28Å; E274-R290 IonicContact OE2-NH1 2.9Å; E274-R290 PolarHBondContact OE2-NH1 2.99Å; E276-R290 IonicContact OE1-CZ 2.82Å; E276-R290 IonicContact OE1-NH1 3.48Å; E276-R290 PolarHBondContact OE1-NH1 2.89Å; E276-R290 VanDerWaalsContact OE1-NH1 3.1Å; E276-R290 IonicContact OE1-NH2 3.92Å; E276-R290 PolarHBondContact OE1-NH2 3.3Å; R290-W292 HydrophobicContact CB-CZ2 4.12Å; R290-W292 HydrophobicContact CG-CZ2 4.47Å; R290-L298 HydrophobicContact CB-CD1 3.73Å; R290-L298 HydrophobicContact CG-CD1 4.14Å; R290-V300 CarbonylContact C-O 3.52Å; R290-V300 WeakPolarHBondContact CA-O 3.49Å
291	L	98.7	Very high	98.2	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	118.7	172.3	-73.4	163.6	0	0	0	109	V209 A227 M271 L272 Y273 A299 V300	V209-L291 HydrophobicContact CG1-CD2 4.09Å; A227-L291 HydrophobicContact CB-CD1 4.42Å; M271-L291 HydrophobicContact CB-CD2 4.36Å; M271-L291 HydrophobicContact CE-CB 3.97Å; L272-L291 WeakPolarHBondContact O-CA 3.44Å; Y273-L291 HydrophobicContact CD1-CD2 3.94Å; Y273-L291 HydrophobicContact CD2-CD2 3.79Å; Y273-L291 HydrophobicContact CD2-CG 3.92Å; Y273-L291 HydrophobicContact CE2-CD2 4.4Å; Y273-L291 HydrophobicContact CE2-CG 4.15Å; Y273-L291 HydrophobicContact CG-CD2 3.52Å; Y273-L291 HydrophobicContact CG-CG 4.16Å; L291-A299 WeakPolarHBondContact O-CB 3.26Å; L291-A299 PolarHBondContact O-N 2.98Å; L291-V300 HydrophobicContact CB-CB 4.04Å; L291-V300 HydrophobicContact CB-CG2 4.41Å; L291-V300 HydrophobicContact CD1-CB 4.1Å; L291-V300 HydrophobicContact CD1-CG2 4.3Å; L291-V300 PolarHBondContact N-O 3.35Å; L291-V300 PolarHBondContact O-N 3.09Å
292	W	98.8	Very high	98.3	Very high	1 Å²	1	37.2 Å²	37.2	0%	0.004	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	140.4	-178	-52.2	89.2	0	0	0	110.5	F140 M142 M271 L272 R290 V297 L298	F140-W292 HydrophobicContact CB-CH2 3.81Å; F140-W292 WeakPolarHBondContact O-CH2 3.37Å; F140-W292 VanDerWaalsContact O-CZ3 3.31Å; F140-W292 WeakPolarHBondContact O-CZ3 3.46Å; M142-W292 HydrophobicContact CB-CD2 3.97Å; M142-W292 HydrophobicContact CB-CE3 3.69Å; M142-W292 HydrophobicContact CB-CG 4.38Å; M142-W292 HydrophobicContact CB-CZ3 4.06Å; M142-W292 HydrophobicContact CG-CB 3.91Å; M142-W292 HydrophobicContact CG-CD2 3.94Å; M142-W292 HydrophobicContact CG-CE3 4.15Å; M142-W292 HydrophobicContact CG-CG 3.85Å; M142-W292 HydrophobicContact SD-CB 3.65Å; M142-W292 HydrophobicContact SD-CG 4.26Å; M271-W292 CarbonylContact C-O 3.47Å; M271-W292 WeakPolarHBondContact CA-O 3.36Å; M271-W292 WeakPolarHBondContact CB-O 3.27Å; L272-W292 HydrophobicContact CB-CB 4.19Å; L272-W292 PolarHBondContact N-O 3.2Å; L272-W292 PolarHBondContact O-N 3.39Å; R290-W292 HydrophobicContact CB-CZ2 4.12Å; R290-W292 HydrophobicContact CG-CZ2 4.47Å; W292-V297 WeakPolarHBondContact CA-O 3.31Å; W292-L298 HydrophobicContact CD2-CD1 3.97Å; W292-L298 HydrophobicContact CE3-CB 3.75Å; W292-L298 HydrophobicContact CE3-CD1 4.04Å; W292-L298 HydrophobicContact CE3-CG 4.47Å; W292-L298 HydrophobicContact CH2-CB 4.17Å; W292-L298 HydrophobicContact CH2-CD1 4.18Å; W292-L298 HydrophobicContact CH2-CD2 4.39Å; W292-L298 HydrophobicContact CH2-CG 4.48Å; W292-L298 HydrophobicContact CZ2-CD1 4.09Å; W292-L298 HydrophobicContact CZ3-CB 3.55Å; W292-L298 HydrophobicContact CZ3-CD1 4.16Å; W292-L298 HydrophobicContact CZ3-CG 4.29Å
293	R	98.2	Very high	98.4	Very high	78 Å²	78	35 Å²	35	29%	0.294	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	156.1	163.7	-72.8	163.7	41.2	160.8	3.5	110	M142 P264 F265 D295 G296 V297 A299	M142-R293 VanDerWaalsContact SD-O 3.33Å; P264-R293 WeakPolarHBondContact O-CD 3.41Å; P264-R293 PolarHBondContact O-NH1 2.97Å; F265-R293 HydrophobicContact CB-CG 4Å; R293-D295 WeakPolarHBondContact CB-OD1 3.14Å; R293-D295 IonicContact CZ-OD1 3.49Å; R293-D295 IonicContact CZ-OD2 2.81Å; R293-D295 IonicContact NE-OD1 3.19Å; R293-D295 PolarHBondContact NE-OD1 3.22Å; R293-D295 IonicContact NE-OD2 3.71Å; R293-D295 IonicContact NH2-OD1 2.84Å; R293-D295 IonicContact NH2-OD2 3.68Å; R293-D295 PolarHBondContact NH2-OD2 2.79Å; R293-D295 PolarHBondContact O-N 3.1Å; R293-D295 VanDerWaalsContact O-N 3.11Å; R293-G296 PolarHBondContact O-N 3.29Å; R293-V297 HydrophobicContact CB-CB 4.26Å; R293-V297 HydrophobicContact CG-CB 4.49Å; R293-V297 PolarHBondContact N-O 3.1Å; R293-A299 HydrophobicContact CG-CB 4.46Å
294	Q	96.9	Very high	98.5	Very high	95 Å²	95	31.7 Å²	31.7	44%	0.444	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-25.6	176.8	-78.9	178.9	-58.7	0	0	114.2	W208 W270 G296	W208-Q294 HydrophobicContact CE3-CG 4.39Å; W208-Q294 HydrophobicContact CH2-CB 4.44Å; W208-Q294 HydrophobicContact CH2-CG 3.69Å; W208-Q294 HydrophobicContact CZ3-CB 4.48Å; W208-Q294 HydrophobicContact CZ3-CG 3.45Å; W208-Q294 VanDerWaalsContact CZ3-CG 3.45Å; W270-Q294 HydrophobicContact CB-CG 4.16Å; Q294-G296 VanDerWaalsContact C-N 3.27Å; Q294-G296 PolarHBondContact O-N 2.93Å
295	D	97.4	Very high	98.5	Very high	101 Å²	101	29.2 Å²	29.2	54%	0.54	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	7.9	177.4	67.9	-17.9	0	0	0	113.9	R293	R293-D295 WeakPolarHBondContact CB-OD1 3.14Å; R293-D295 IonicContact CZ-OD1 3.49Å; R293-D295 IonicContact CZ-OD2 2.81Å; R293-D295 IonicContact NE-OD1 3.19Å; R293-D295 PolarHBondContact NE-OD1 3.22Å; R293-D295 IonicContact NE-OD2 3.71Å; R293-D295 IonicContact NH2-OD1 2.84Å; R293-D295 IonicContact NH2-OD2 3.68Å; R293-D295 PolarHBondContact NH2-OD2 2.79Å; R293-D295 PolarHBondContact O-N 3.1Å; R293-D295 VanDerWaalsContact O-N 3.11Å
296	G	98.1	Very high	98.5	Very high	18 Å²	18	29.2 Å²	29.2	19%	0.186	15%	0.149	C	C	.	.	S	Bend	trans	91.5	-1.4	174.3	0	0	0	0	0	115.4	Q139 R293 Q294	Q139-G296 PolarHBondContact NE2-O 2.78Å; R293-G296 PolarHBondContact O-N 3.29Å; Q294-G296 VanDerWaalsContact C-N 3.27Å; Q294-G296 PolarHBondContact O-N 2.93Å
297	V	98.5	Very high	98.5	Very high	35 Å²	35	27.8 Å²	27.8	21%	0.212	14%	0.143	C	C	.	.			trans	-72.1	128.9	177.6	175.2	0	0	0	0	110.8	A263 W292 R293 A299	A263-V297 HydrophobicContact CB-CG1 3.69Å; W292-V297 WeakPolarHBondContact CA-O 3.31Å; R293-V297 HydrophobicContact CB-CB 4.26Å; R293-V297 HydrophobicContact CG-CB 4.49Å; R293-V297 PolarHBondContact N-O 3.1Å; V297-A299 PolarHBondContact O-N 2.82Å
298	L	98.8	Very high	98.4	Very high	16 Å²	16	28.7 Å²	28.7	8%	0.084	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	103.7	173.3	179.9	56.5	0	0	0	109.6	Q139 R290 W292	Q139-L298 HydrophobicContact CB-CB 4.23Å; R290-L298 HydrophobicContact CB-CD1 3.73Å; R290-L298 HydrophobicContact CG-CD1 4.14Å; W292-L298 HydrophobicContact CD2-CD1 3.97Å; W292-L298 HydrophobicContact CE3-CB 3.75Å; W292-L298 HydrophobicContact CE3-CD1 4.04Å; W292-L298 HydrophobicContact CE3-CG 4.47Å; W292-L298 HydrophobicContact CH2-CB 4.17Å; W292-L298 HydrophobicContact CH2-CD1 4.18Å; W292-L298 HydrophobicContact CH2-CD2 4.39Å; W292-L298 HydrophobicContact CH2-CG 4.48Å; W292-L298 HydrophobicContact CZ2-CD1 4.09Å; W292-L298 HydrophobicContact CZ3-CB 3.55Å; W292-L298 HydrophobicContact CZ3-CD1 4.16Å; W292-L298 HydrophobicContact CZ3-CG 4.29Å
299	A	98.5	Very high	98.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-43.1	-175.9	0	0	0	0	0	112.5	H262 F265 M271 L291 R293 V297	H262-A299 PolarHBondContact N-O 3.26Å; F265-A299 HydrophobicContact CB-CB 3.87Å; F265-A299 HydrophobicContact CD1-CB 3.68Å; F265-A299 HydrophobicContact CE1-CB 4.46Å; F265-A299 HydrophobicContact CG-CB 3.89Å; M271-A299 HydrophobicContact CE-CB 3.54Å; L291-A299 WeakPolarHBondContact O-CB 3.26Å; L291-A299 PolarHBondContact O-N 2.98Å; R293-A299 HydrophobicContact CG-CB 4.46Å; V297-A299 PolarHBondContact O-N 2.82Å
300	V	98.8	Very high	98.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	142.7	-174	-168.5	0	0	0	0	111	M259 W260 F261 F265 R290 L291	M259-V300 HydrophobicContact CB-CG1 4.32Å; M259-V300 HydrophobicContact CE-CG1 3.68Å; W260-V300 CarbonylContact O-C 3.52Å; W260-V300 VanDerWaalsContact O-CA 3.28Å; W260-V300 WeakPolarHBondContact O-CA 3.34Å; W260-V300 VanDerWaalsContact O-CG1 3.31Å; W260-V300 WeakPolarHBondContact O-CG1 3.35Å; F261-V300 HydrophobicContact CD1-CG1 4.11Å; F261-V300 HydrophobicContact CD1-CG2 3.79Å; F261-V300 HydrophobicContact CE1-CG1 4.23Å; F261-V300 HydrophobicContact CE1-CG2 4.27Å; F265-V300 HydrophobicContact CD1-CG2 4.33Å; F265-V300 HydrophobicContact CE1-CG2 3.67Å; F265-V300 HydrophobicContact CZ-CG2 3.93Å; R290-V300 CarbonylContact C-O 3.52Å; R290-V300 WeakPolarHBondContact CA-O 3.49Å; L291-V300 HydrophobicContact CB-CB 4.04Å; L291-V300 HydrophobicContact CB-CG2 4.41Å; L291-V300 HydrophobicContact CD1-CB 4.1Å; L291-V300 HydrophobicContact CD1-CG2 4.3Å; L291-V300 PolarHBondContact N-O 3.35Å; L291-V300 PolarHBondContact O-N 3.09Å
301	T	98.9	Very high	97.9	Very high	37 Å²	37	38.3 Å²	38.3	23%	0.227	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	142.2	165.7	-58.5	0	0	0	0	109.8	M259 W260 H262 G289	M259-T301 CarbonylContact C-O 3.59Å; M259-T301 VanDerWaalsContact CA-O 3.28Å; M259-T301 WeakPolarHBondContact CA-O 3.36Å; W260-T301 PolarHBondContact N-O 2.96Å; W260-T301 PolarHBondContact O-N 3.42Å; H262-T301 WeakPolarHBondContact NE2-CB 3.24Å; H262-T301 PolarHBondContact NE2-N 3.01Å; H262-T301 PolarHBondContact NE2-OG1 3.18Å; G289-T301 CarbonylContact O-C 3.52Å; G289-T301 WeakPolarHBondContact O-CA 3.29Å
302	C	98.8	Very high	97.4	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.007	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	151	-178.6	-53.3	0	0	0	0	111.1	F235 S258 H288 G289	F235-C302 HydrophobicContact CE1-CB 3.95Å; F235-C302 HydrophobicContact CZ-CB 3.99Å; S258-C302 CarbonylContact O-C 3.35Å; S258-C302 VanDerWaalsContact O-CA 3.23Å; S258-C302 WeakPolarHBondContact O-CA 3.47Å; H288-C302 WeakPolarHBondContact CA-O 3.27Å; G289-C302 PolarHBondContact N-O 3.15Å; G289-C302 PolarHBondContact O-N 2.73Å
303	A	98.8	Very high	96.5	Very high	19 Å²	19	45.4 Å²	45.4	16%	0.157	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	140.8	168.6	0	0	0	0	0	110.1	S258 W260 V287	S258-A303 PolarHBondContact N-O 3.49Å; S258-A303 PolarHBondContact O-N 3.06Å; W260-A303 HydrophobicContact CH2-CB 4.49Å; W260-A303 HydrophobicContact CZ3-CB 4.15Å; V287-A303 WeakPolarHBondContact O-CA 3.41Å
304	Q	98.8	Very high	95.1	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	133.6	179.3	166.9	159.6	-80.5	0	0	110.4	D232 F235 S254 D256 H257 V287	D232-Q304 PolarHBondContact OD1-NE2 2.91Å; D232-Q304 PolarHBondContact OD1-OE1 2.81Å; D232-Q304 VanDerWaalsContact OD1-OE1 3.04Å; F235-Q304 HydrophobicContact CD1-CB 3.84Å; F235-Q304 HydrophobicContact CE1-CB 3.56Å; S254-Q304 PolarHBondContact OG-NE2 2.89Å; S254-Q304 PolarHBondContact OG-OE1 2.87Å; D256-Q304 VanDerWaalsContact O-CG 3.23Å; D256-Q304 WeakPolarHBondContact O-CG 3.44Å; D256-Q304 PolarHBondContact O-OE1 3.38Å; H257-Q304 PolarHBondContact ND1-OE1 3.3Å; V287-Q304 HydrophobicContact CG2-CB 3.85Å; V287-Q304 HydrophobicContact CG2-CG 4.3Å; V287-Q304 VanDerWaalsContact CG2-O 3.24Å; V287-Q304 WeakPolarHBondContact CG2-O 3.38Å; V287-Q304 PolarHBondContact N-O 3.32Å; V287-Q304 PolarHBondContact O-N 3.29Å
305	E	98.7	Very high	93.1	Very high	47 Å²	47	48 Å²	48	22%	0.22	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	144.2	161.9	-158.8	-175.7	-146.1	0	0	109.6	L255 D256 R284 G285	L255-E305 WeakPolarHBondContact CB-O 3.49Å; L255-E305 PolarHBondContact N-O 2.89Å; D256-E305 PolarHBondContact N-O 2.82Å; D256-E305 PolarHBondContact OD1-N 2.9Å; R284-E305 HydrophobicContact CB-CG 4.24Å; R284-E305 WeakPolarHBondContact CD-OE1 3.42Å; R284-E305 WeakPolarHBondContact CD-OE2 3.4Å; R284-E305 IonicContact CZ-OE1 2.98Å; R284-E305 IonicContact NE-OE1 3.14Å; R284-E305 PolarHBondContact NE-OE1 2.92Å; R284-E305 IonicContact NE-OE2 2.85Å; R284-E305 PolarHBondContact NE-OE2 3.47Å; R284-E305 IonicContact NH2-OE1 3.43Å; G285-E305 WeakPolarHBondContact O-CA 3.29Å; G285-E305 WeakPolarHBondContact O-CG 3.49Å
306	G	98.3	Very high	90.8	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	156.9	174.6	0	0	0	0	0	112.6	V253 R284 G285	V253-G306 CarbonylContact O-C 3.59Å; V253-G306 WeakPolarHBondContact O-CA 3.28Å; R284-G306 CarbonylContact C-O 3.56Å; R284-G306 WeakPolarHBondContact CA-O 3.11Å; G285-G306 PolarHBondContact N-O 3.13Å; G285-G306 PolarHBondContact O-N 3.13Å
307	V	98.3	Very high	88.2	Confident	22 Å²	22	55.5 Å²	55.5	13%	0.133	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	131	168.8	178.6	0	0	0	0	108.2	F251 M252 V253 L255 S283 R309	F251-V307 HydrophobicContact CD1-CG1 3.88Å; F251-V307 HydrophobicContact CE1-CB 4.24Å; F251-V307 HydrophobicContact CE1-CG1 3.82Å; M252-V307 VanDerWaalsContact CA-O 3.24Å; M252-V307 WeakPolarHBondContact CA-O 3.08Å; V253-V307 HydrophobicContact CG1-CB 4.03Å; V253-V307 HydrophobicContact CG1-CG2 4.34Å; V253-V307 PolarHBondContact N-O 2.82Å; V253-V307 VanDerWaalsContact N-O 3.13Å; V253-V307 PolarHBondContact O-N 3.41Å; L255-V307 HydrophobicContact CD1-CG2 3.93Å; L255-V307 HydrophobicContact CD2-CG2 3.71Å; L255-V307 HydrophobicContact CG-CG2 3.89Å; S283-V307 WeakPolarHBondContact O-CA 3.48Å; V307-R309 HydrophobicContact CG1-CG 3.95Å
308	I	97.6	Very high	85.6	Confident	19 Å²	19	63 Å²	63	10%	0.097	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	113.8	174.9	-53.9	176.5	0	0	0	107.7	L236 A239 V240 V249 M252 S283 V310	L236-I308 HydrophobicContact CD1-CD1 4.13Å; L236-I308 HydrophobicContact CD1-CG1 4.4Å; L236-I308 HydrophobicContact CG-CD1 4.5Å; A239-I308 HydrophobicContact CB-CD1 3.64Å; V240-I308 HydrophobicContact CG2-CD1 4.2Å; V240-I308 HydrophobicContact CG2-CG2 4.12Å; V249-I308 HydrophobicContact CG2-CG2 4.49Å; M252-I308 HydrophobicContact CG-CG1 4.29Å; M252-I308 HydrophobicContact SD-CG1 4.45Å; S283-I308 CarbonylContact C-O 3.46Å; S283-I308 VanDerWaalsContact CA-O 3.29Å; S283-I308 WeakPolarHBondContact CA-O 3.19Å; S283-I308 PolarHBondContact O-N 3.47Å; I308-V310 HydrophobicContact CG2-CG1 4.15Å
309	R	96.2	Very high	82.6	Confident	127 Å²	127	73.6 Å²	73.6	48%	0.479	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	128.4	174.8	-55.9	178.3	178.4	173.9	-1.5	109.9	H250 F251 V307	H250-R309 WeakPolarHBondContact CE1-CB 3.39Å; H250-R309 PolarHBondContact N-O 2.86Å; H250-R309 PolarHBondContact ND1-O 3.14Å; F251-R309 HydrophobicContact CB-CB 4.16Å; F251-R309 HydrophobicContact CD1-CG 4.3Å; F251-R309 PolarHBondContact N-O 2.87Å; F251-R309 PolarHBondContact O-N 3.02Å; V307-R309 HydrophobicContact CG1-CG 3.95Å
310	V	95.1	Very high	81.8	Confident	60 Å²	60	77.3 Å²	77.3	36%	0.364	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	160.5	-173.7	-62.3	0	0	0	0	111.8	H247 K248 V249 I308	H247-V310 HydrophobicContact CB-CB 3.93Å; H247-V310 HydrophobicContact CB-CG1 4.18Å; H247-V310 HydrophobicContact CB-CG2 4.17Å; K248-V310 CarbonylContact O-C 3.57Å; K248-V310 VanDerWaalsContact O-CA 3.28Å; K248-V310 WeakPolarHBondContact O-CA 3.23Å; V249-V310 HydrophobicContact CG2-CG1 4.12Å; I308-V310 HydrophobicContact CG2-CG1 4.15Å
311	K	93.3	Very high	80.9	Confident	127 Å²	127	81.4 Å²	81.4	55%	0.552	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122	149.8	164.1	-69.1	-179	178.9	-173.8	0	108.2	H247 K248 Q313	H247-K311 CarbonylContact C-O 3.46Å; H247-K311 WeakPolarHBondContact CA-O 3.33Å; K248-K311 PolarHBondContact N-O 2.94Å; K248-K311 PolarHBondContact O-N 2.8Å; K311-Q313 PolarHBondContact O-N 3.46Å
312	P	89.5	Confident	79.9	Confident	96 Å²	96	83.8 Å²	83.8	62%	0.623	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.1	140	169.2	-23.4	33.8	0	0	0	110.7	V314	P312-V314 PolarHBondContact O-N 3.32Å
313	Q	79.3	Confident	78.8	Confident	55 Å²	55	88.7 Å²	88.7	26%	0.257	47%	0.468	S	S	.	.			trans	-69.5	109.1	160.1	-71.8	-162.3	12.1	0	0	106.5	R170 Q244 Q246 K248 K311 S315	R170-Q313 VanDerWaalsContact NH2-NE2 3.15Å; Q244-Q313 PolarHBondContact O-NE2 3.46Å; Q246-Q313 PolarHBondContact O-N 2.91Å; K248-Q313 HydrophobicContact CB-CG 4.36Å; K311-Q313 PolarHBondContact O-N 3.46Å; Q313-S315 PolarHBondContact O-N 3.1Å
314	V	68.1	Low	77.5	Confident	130 Å²	130	93.1 Å²	93.1	79%	0.788	49%	0.488	S	S	*	.			trans	-68	115.2	170.9	-176.3	0	0	0	0	106	P312 E316	P312-V314 PolarHBondContact O-N 3.32Å; V314-E316 PolarHBondContact O-N 3.32Å
315	S	56.5	Low	76.1	Confident	98 Å²	98	99.2 Å²	99.2	69%	0.685	52%	0.52	S	S	*	.			trans	-69.8	121	163.7	85.3	0	0	0	0	105.6	Q313 S317	Q313-S315 PolarHBondContact O-N 3.1Å; S315-S317 PolarHBondContact O-N 2.59Å
316	E	48.1	Very low	74.5	Confident	178 Å²	178	102.9 Å²	102.9	83%	0.832	54%	0.542	S	S	*	.			trans	-66.2	85.2	159.3	-76.1	-177.6	175.5	0	0	105.5	V314 K318	V314-E316 PolarHBondContact O-N 3.32Å; E316-K318 VanDerWaalsContact C-N 3.28Å; E316-K318 PolarHBondContact O-N 3.39Å
317	S	42.6	Very low	72.7	Confident	98 Å²	98	110.8 Å²	110.8	69%	0.685	58%	0.583	S	S	*	*			trans	-62.9	101.1	164	-174.3	0	0	0	0	105.4	S315 L319	S315-S317 PolarHBondContact O-N 2.59Å; S317-L319 PolarHBondContact O-N 2.86Å
318	K	44.8	Very low	70.5	Confident	193 Å²	193	118.3 Å²	118.3	84%	0.839	62%	0.621	S	S	*	*			trans	-62.1	103.7	168.2	-69.6	-175.5	177.9	-177.8	0	106.8	E316	E316-K318 VanDerWaalsContact C-N 3.28Å; E316-K318 PolarHBondContact O-N 3.39Å
319	L	35.6	Very low	68.1	Low	238 Å²	238	127.3 Å²	127.3	100%	1.246	67%	0.668	S	S	*	*			trans	-61	0	149.8	-81.4	159.6	0	0	0	109.1	S317	S317-L319 PolarHBondContact O-N 2.86Å

Retrieved 319 of 319 residues in 94.2 ms (Link to these results)

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