A0A077YWI9_TRITR Loading...

Kunitz BPTI and Lustrin cystein domain containing protein

AlphaFold DB , UniProt , Accession A0A077YWI9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 288 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.7	Very low	35.8	Very low	245 Å²	245	103.9 Å²	103.9	100%	1.207	59%	0.585	S	S	*	*				0	101	0	-118.2	171.2	-175.2	0	0	107.2	S3	M1-S3 PolarHBondContact O-N 2.78Å
2	L	29.9	Very low	35.8	Very low	158 Å²	158	105.4 Å²	105.4	83%	0.827	58%	0.581	S	S	*	*			trans	-72.1	113.2	172.7	-94.6	115.3	0	0	0	107.6	I4	L2-I4 PolarHBondContact O-N 3.1Å
3	S	32.9	Very low	35.9	Very low	78 Å²	78	109.2 Å²	109.2	55%	0.545	60%	0.595	S	S	.	*			trans	-84.7	105	175.2	-171.7	0	0	0	0	107.9	M1 K5	M1-S3 PolarHBondContact O-N 2.78Å; S3-K5 PolarHBondContact O-N 3.24Å; S3-K5 VanDerWaalsContact O-N 3.17Å
4	I	36.2	Very low	35.6	Very low	68 Å²	68	111.4 Å²	111.4	35%	0.349	61%	0.606	S	S	.	*			trans	-71.9	102	174.7	-59.9	170.9	0	0	0	107.5	L2 F65 Y77	L2-I4 PolarHBondContact O-N 3.1Å; I4-F65 HydrophobicContact CG2-CB 4.4Å; I4-F65 WeakPolarHBondContact O-CB 3.42Å; I4-Y77 VanDerWaalsContact CA-OH 3.31Å; I4-Y77 WeakPolarHBondContact CA-OH 3.13Å; I4-Y77 HydrophobicContact CB-CE1 3.96Å; I4-Y77 HydrophobicContact CG1-CE1 4.01Å; I4-Y77 HydrophobicContact CG2-CD1 4.21Å; I4-Y77 HydrophobicContact CG2-CE1 3.45Å; I4-Y77 VanDerWaalsContact CG2-CE1 3.45Å
5	K	36.3	Very low	35.9	Very low	122 Å²	122	108.2 Å²	108.2	53%	0.53	60%	0.6	S	S	.	*			trans	-111.7	106.6	175.9	-74.4	-171.5	179.5	-176.4	0	109.7	S3 Y77	S3-K5 PolarHBondContact O-N 3.24Å; S3-K5 VanDerWaalsContact O-N 3.17Å; K5-Y77 PolarHBondContact N-OH 2.88Å
6	S	38.9	Very low	36.2	Very low	17 Å²	17	109.3 Å²	109.3	12%	0.119	61%	0.614	C	S	.	*			trans	-83.3	138.5	164.1	167.7	0	0	0	0	109.8	F8	S6-F8 PolarHBondContact O-N 3.04Å; S6-F8 PolarHBondContact OG-N 3.33Å
7	P	38.5	Very low	36.3	Very low	115 Å²	115	111.9 Å²	111.9	75%	0.747	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	1.2	176.2	24.9	-28.7	0	0	0	114.5
8	F	44	Very low	36.6	Very low	140 Å²	140	110.7 Å²	110.7	61%	0.614	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112	13.4	-170.6	-61.1	-71.1	0	0	0	116.3	S6 L69	S6-F8 PolarHBondContact O-N 3.04Å; S6-F8 PolarHBondContact OG-N 3.33Å; F8-L69 HydrophobicContact CD2-CD1 4.5Å; F8-L69 HydrophobicContact CE2-CD1 4.04Å; F8-L69 HydrophobicContact CZ-CD1 4.33Å
9	G	36.8	Very low	37.3	Very low	43 Å²	43	115.7 Å²	115.7	44%	0.443	64%	0.64	S	S	.	*			trans	100.9	149.3	164.2	0	0	0	0	0	116.4
10	G	34.4	Very low	38.1	Very low	24 Å²	24	116.8 Å²	116.8	25%	0.247	64%	0.64	C	S	.	*			trans	157	140.6	-175.6	0	0	0	0	0	108	G63 F65	G10-G63 WeakPolarHBondContact CA-O 3.21Å; G10-F65 WeakPolarHBondContact O-CE2 3.49Å; G10-F65 WeakPolarHBondContact O-CZ 3Å
11	V	36.2	Very low	38.9	Very low	133 Å²	133	116.5 Å²	116.5	81%	0.806	64%	0.643	S	S	*	*			trans	-79.5	140.1	-174.7	-175.9	0	0	0	0	110.3	M13	V11-M13 PolarHBondContact O-N 2.77Å
12	F	35.5	Very low	40.3	Very low	122 Å²	122	112.8 Å²	112.8	54%	0.535	63%	0.628	S	S	.	*			trans	-57.7	115.9	168	-109	-97.6	0	0	0	109.1	D14	F12-D14 VanDerWaalsContact C-N 3.35Å; F12-D14 PolarHBondContact O-N 3.19Å
13	M	37.3	Very low	42.4	Very low	154 Å²	154	110.2 Å²	110.2	76%	0.759	62%	0.618	S	S	*	*			trans	-78.9	96	153.3	-72	-164.7	174.1	0	0	106.6	V11 A15	V11-M13 PolarHBondContact O-N 2.77Å; M13-A15 VanDerWaalsContact C-N 3.33Å; M13-A15 PolarHBondContact O-N 3.45Å
14	D	32.5	Very low	44.5	Very low	141 Å²	141	109.3 Å²	109.3	75%	0.754	61%	0.605	S	S	*	*			trans	-60.7	102.4	156	-76.1	-32.7	0	0	0	106.9	F12	F12-D14 VanDerWaalsContact C-N 3.35Å; F12-D14 PolarHBondContact O-N 3.19Å
15	A	39.9	Very low	46.8	Very low	63 Å²	63	110.3 Å²	110.3	52%	0.521	61%	0.605	S	S	.	*			trans	-123.9	93.9	174.2	0	0	0	0	0	110	M13 N17	M13-A15 VanDerWaalsContact C-N 3.33Å; M13-A15 PolarHBondContact O-N 3.45Å; A15-N17 VanDerWaalsContact C-N 3.27Å
16	P	41.1	Very low	49.1	Very low	126 Å²	126	107.8 Å²	107.8	82%	0.818	60%	0.598	S	S	*	*	S	Bend	trans	-84.9	-2.4	146.4	14.1	3.3	0	0	0	111.7
17	N	37.8	Very low	51.3	Low	154 Å²	154	110.3 Å²	110.3	82%	0.824	61%	0.608	S	S	*	*	S	Bend	trans	-163	90.5	-173.7	-123.4	1.1	0	0	0	112.9	A15	A15-N17 VanDerWaalsContact C-N 3.27Å
18	T	40.8	Very low	53.3	Low	89 Å²	89	105.6 Å²	105.6	55%	0.546	58%	0.58	S	S	.	*			trans	-155.1	127.4	159.8	33.1	0	0	0	0	110.9	E20	T18-E20 PolarHBondContact O-N 3.25Å
19	E	50.4	Low	54.9	Low	206 Å²	206	104.7 Å²	104.7	96%	0.963	58%	0.581	S	S	*	*			trans	-73.8	18.2	169	-67.4	179.6	145	0	0	112.7
20	E	52.2	Low	56.5	Low	138 Å²	138	107.2 Å²	107.2	65%	0.645	58%	0.581	S	S	*	*			trans	-84.2	136	-176.3	-72.1	-170.9	161.4	0	0	111.5	T18 L22	T18-E20 PolarHBondContact O-N 3.25Å; E20-L22 PolarHBondContact O-N 3.25Å
21	P	55.4	Low	57.9	Low	110 Å²	110	108.9 Å²	108.9	71%	0.714	59%	0.586	S	S	*	*			trans	-63.7	134.6	-179.6	25.3	-31.8	0	0	0	110.4	V23	P21-V23 WeakPolarHBondContact O-CG2 2.95Å; P21-V23 PolarHBondContact O-N 3.32Å
22	L	59.7	Low	59.1	Low	167 Å²	167	111.1 Å²	111.1	87%	0.874	59%	0.588	S	S	*	*			trans	-54.8	109.7	172.3	-76.8	163.4	0	0	0	109.7	E20 E24	E20-L22 PolarHBondContact O-N 3.25Å; L22-E24 PolarHBondContact O-N 3.17Å
23	V	74.1	Confident	60	Low	104 Å²	104	109.5 Å²	109.5	63%	0.63	59%	0.589	S	S	*	*			trans	-82.3	113	175.8	-170.5	0	0	0	0	108.5	P21 Y25 N64	P21-V23 WeakPolarHBondContact O-CG2 2.95Å; P21-V23 PolarHBondContact O-N 3.32Å; V23-Y25 VanDerWaalsContact C-N 3.34Å; V23-Y25 WeakPolarHBondContact CG1-O 3.49Å; V23-Y25 PolarHBondContact O-N 2.86Å; V23-N64 PolarHBondContact O-ND2 2.82Å
24	E	77.3	Confident	60.8	Low	59 Å²	59	110.4 Å²	110.4	28%	0.276	60%	0.595	S	S	.	*	S	Bend	trans	-63.5	-36	-174.9	-67.2	-168.5	149.1	0	0	112.6	L22 Y45 T47 L48 N64 N66	L22-E24 PolarHBondContact O-N 3.17Å; E24-Y45 HydrophobicContact CB-CD2 4.36Å; E24-Y45 HydrophobicContact CB-CE2 4.38Å; E24-T47 PolarHBondContact OE1-OG1 3.05Å; E24-T47 VanDerWaalsContact OE1-OG1 3.11Å; E24-T47 WeakPolarHBondContact OE2-CA 3.36Å; E24-T47 WeakPolarHBondContact OE2-CB 3.43Å; E24-T47 PolarHBondContact OE2-OG1 3.15Å; E24-L48 PolarHBondContact OE1-N 3.41Å; E24-N64 PolarHBondContact O-ND2 3.43Å; E24-N66 WeakPolarHBondContact O-CB 3.2Å; E24-N66 PolarHBondContact O-ND2 2.89Å
25	Y	84.4	Confident	61.9	Low	89 Å²	89	112.9 Å²	112.9	35%	0.349	60%	0.602	S	S	.	*			trans	-143.6	152.2	176.5	71.4	-82.9	0	0	0	111.8	V23 E27 Y45 F56 N64	V23-Y25 VanDerWaalsContact C-N 3.34Å; V23-Y25 WeakPolarHBondContact CG1-O 3.49Å; V23-Y25 PolarHBondContact O-N 2.86Å; Y25-E27 HydrophobicContact CD2-CG 4.45Å; Y25-E27 HydrophobicContact CE2-CG 4.1Å; Y25-Y45 HydrophobicContact CD1-CD1 4.34Å; Y25-Y45 AromaticContact CD1-CD2 3.91Å; Y25-Y45 HydrophobicContact CD1-CD2 3.91Å; Y25-Y45 AromaticContact CD1-CE1 3.93Å; Y25-Y45 HydrophobicContact CD1-CE1 3.93Å; Y25-Y45 AromaticContact CD1-CE2 3.46Å; Y25-Y45 HydrophobicContact CD1-CE2 3.46Å; Y25-Y45 VanDerWaalsContact CD1-CE2 3.46Å; Y25-Y45 HydrophobicContact CD1-CG 4.32Å; Y25-Y45 AromaticContact CD1-CZ 3.45Å; Y25-Y45 VanDerWaalsContact CD1-CZ 3.45Å; Y25-Y45 HydrophobicContact CE1-CE1 4.4Å; Y25-Y45 HydrophobicContact CE1-CE2 4.19Å; Y25-Y45 AromaticContact CE1-CZ 3.84Å; Y25-Y45 HydrophobicContact CG-CD1 4.15Å; Y25-Y45 HydrophobicContact CG-CD2 4.18Å; Y25-Y45 HydrophobicContact CG-CE1 4.09Å; Y25-Y45 HydrophobicContact CG-CE2 4.14Å; Y25-Y45 HydrophobicContact CG-CG 4.17Å; Y25-F56 HydrophobicContact CD2-CB 4.22Å; Y25-F56 AromaticContact CD2-CD2 3.79Å; Y25-F56 HydrophobicContact CD2-CD2 3.79Å; Y25-F56 HydrophobicContact CD2-CE2 4.39Å; Y25-F56 HydrophobicContact CD2-CG 4.16Å; Y25-F56 HydrophobicContact CE2-CB 4.5Å; Y25-N64 WeakPolarHBondContact CA-ND2 3.36Å
26	D	83.9	Confident	62.5	Low	70 Å²	70	113 Å²	113	37%	0.374	60%	0.599	S	S	.	*			trans	-128.6	118.2	175.1	175.2	7	0	0	0	108.8	G28 F56 G63 N64	D26-G28 PolarHBondContact O-N 3.43Å; D26-G28 VanDerWaalsContact O-N 3.15Å; D26-G28 PolarHBondContact OD1-N 2.9Å; D26-F56 WeakPolarHBondContact O-CE2 3.07Å; D26-G63 VanDerWaalsContact OD2-CA 3.26Å; D26-G63 WeakPolarHBondContact OD2-CA 3Å; D26-G63 PolarHBondContact OD2-N 2.91Å; D26-N64 HydrophobicContact CB-CB 4.37Å
27	E	85.2	Confident	63.3	Low	69 Å²	69	111.9 Å²	111.9	32%	0.322	59%	0.589	S	S	.	*			trans	-61.4	-18.1	178.5	-64.4	-166.2	165.1	0	0	112.6	Y25 F58 R59	Y25-E27 HydrophobicContact CD2-CG 4.45Å; Y25-E27 HydrophobicContact CE2-CG 4.1Å; E27-F58 WeakPolarHBondContact O-CD2 3.33Å; E27-R59 WeakPolarHBondContact O-CB 3.34Å; E27-R59 PolarHBondContact O-N 3.17Å; E27-R59 IonicContact OE2-CZ 3.5Å; E27-R59 IonicContact OE2-NE 3.07Å; E27-R59 PolarHBondContact OE2-NE 3.26Å; E27-R59 IonicContact OE2-NH2 2.98Å; E27-R59 PolarHBondContact OE2-NH2 3.17Å
28	G	80.5	Confident	64.5	Low	16 Å²	16	107.1 Å²	107.1	17%	0.165	56%	0.564	C	S	.	*			trans	71.9	-168.4	-174.4	0	0	0	0	0	112.8	D26 V61	D26-G28 PolarHBondContact O-N 3.43Å; D26-G28 VanDerWaalsContact O-N 3.15Å; D26-G28 PolarHBondContact OD1-N 2.9Å; G28-V61 CarbonylContact C-O 3.47Å; G28-V61 VanDerWaalsContact CA-O 3.23Å; G28-V61 WeakPolarHBondContact CA-O 3.2Å
29	L	76.7	Confident	66	Low	122 Å²	122	109.8 Å²	109.8	64%	0.639	57%	0.568	S	S	*	*	B	Isolated β-bridge	trans	-103.5	141.7	-180	-75.1	136.6	0	0	0	111	V31 R59 V61	L29-V31 HydrophobicContact CB-CG2 4.26Å; L29-R59 CarbonylContact O-C 3.54Å; L29-V61 PolarHBondContact N-O 2.85Å; L29-V61 PolarHBondContact O-N 2.88Å
30	Q	71.3	Confident	67.5	Low	95 Å²	95	102.6 Å²	102.6	44%	0.444	54%	0.539	S	S	.	.			trans	-91.4	104.1	167.6	-171.1	168.4	4.8	0	0	108.1	R59	Q30-R59 HydrophobicContact CB-CB 4.08Å; Q30-R59 HydrophobicContact CB-CG 4.44Å
31	V	63.9	Low	69.2	Low	59 Å²	59	98.8 Å²	98.8	36%	0.358	53%	0.525	S	S	.	.			trans	-96.6	107.1	-178.6	-173.1	0	0	0	0	108.9	L29 T33 V61	L29-V31 HydrophobicContact CB-CG2 4.26Å; V31-T33 WeakPolarHBondContact CG1-OG1 3.23Å; V31-T33 PolarHBondContact O-N 3.31Å; V31-V61 HydrophobicContact CB-CG2 4.25Å; V31-V61 HydrophobicContact CG2-CB 3.94Å; V31-V61 HydrophobicContact CG2-CG1 4.25Å; V31-V61 HydrophobicContact CG2-CG2 3.77Å
32	E	60.5	Low	70.9	Confident	180 Å²	180	98.3 Å²	98.3	84%	0.841	52%	0.516	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.6	87.3	167.2	-69.2	-175.8	179.1	0	0	108.5
33	T	54.7	Low	72.5	Confident	89 Å²	89	92.5 Å²	92.5	55%	0.546	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	139.4	167.5	-44.9	0	0	0	0	109.8	V31 Q35 S36	V31-T33 WeakPolarHBondContact CG1-OG1 3.23Å; V31-T33 PolarHBondContact O-N 3.31Å; T33-Q35 PolarHBondContact O-N 3.47Å; T33-S36 PolarHBondContact O-N 2.81Å; T33-S36 VanDerWaalsContact O-N 3.1Å
34	I	54.4	Low	73.3	Confident	172 Å²	172	90.6 Å²	90.6	88%	0.882	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-7	-163.2	-62.3	168.3	0	0	0	114.5
35	Q	56.4	Low	74	Confident	194 Å²	194	89 Å²	89	91%	0.907	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.3	2.4	-176.1	-69.7	-177.1	-26.7	0	0	115.4	T33	T33-Q35 PolarHBondContact O-N 3.47Å
36	S	51.9	Low	74.1	Confident	65 Å²	65	85 Å²	85	46%	0.455	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	89	175.7	171.9	0	0	0	0	109.5	T33 N38	T33-S36 PolarHBondContact O-N 2.81Å; T33-S36 VanDerWaalsContact O-N 3.1Å; S36-N38 PolarHBondContact O-N 2.86Å
37	V	57.5	Low	74.2	Confident	102 Å²	102	81.8 Å²	81.8	62%	0.618	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.2	99.2	170.5	-169.9	0	0	0	0	107.6	F39	V37-F39 HydrophobicContact CB-CD2 4.42Å; V37-F39 HydrophobicContact CB-CE2 3.83Å; V37-F39 HydrophobicContact CB-CZ 3.9Å; V37-F39 HydrophobicContact CG1-CD1 3.94Å; V37-F39 HydrophobicContact CG1-CD2 4.03Å; V37-F39 HydrophobicContact CG1-CE1 3.5Å; V37-F39 VanDerWaalsContact CG1-CE1 3.5Å; V37-F39 HydrophobicContact CG1-CE2 3.6Å; V37-F39 HydrophobicContact CG1-CG 4.2Å; V37-F39 HydrophobicContact CG1-CZ 3.32Å; V37-F39 WeakPolarHBondContact O-CD2 3.46Å; V37-F39 PolarHBondContact O-N 3.07Å
38	N	62.9	Low	74	Confident	55 Å²	55	83.5 Å²	83.5	29%	0.294	43%	0.434	S	S	.	.			trans	-81.2	104.1	167.6	-83.5	-33.9	0	0	0	108.2	S36 V61	S36-N38 PolarHBondContact O-N 2.86Å; N38-V61 HydrophobicContact CB-CG2 4.46Å; N38-V61 WeakPolarHBondContact ND2-CG2 3.49Å
39	F	72.1	Confident	74.1	Confident	145 Å²	145	87.4 Å²	87.4	64%	0.636	46%	0.458	S	S	*	.			trans	-75.8	135.6	176.3	-65.6	-80.1	0	0	0	109.6	V37 V41	V37-F39 HydrophobicContact CB-CD2 4.42Å; V37-F39 HydrophobicContact CB-CE2 3.83Å; V37-F39 HydrophobicContact CB-CZ 3.9Å; V37-F39 HydrophobicContact CG1-CD1 3.94Å; V37-F39 HydrophobicContact CG1-CD2 4.03Å; V37-F39 HydrophobicContact CG1-CE1 3.5Å; V37-F39 VanDerWaalsContact CG1-CE1 3.5Å; V37-F39 HydrophobicContact CG1-CE2 3.6Å; V37-F39 HydrophobicContact CG1-CG 4.2Å; V37-F39 HydrophobicContact CG1-CZ 3.32Å; V37-F39 WeakPolarHBondContact O-CD2 3.46Å; V37-F39 PolarHBondContact O-N 3.07Å; F39-V41 PolarHBondContact O-N 3.03Å
40	P	82.6	Confident	74.4	Confident	54 Å²	54	86.1 Å²	86.1	35%	0.351	45%	0.449	S	S	.	.			trans	-54.5	127.5	171.6	-24.6	33.9	0	0	0	110.5	L57 F58	P40-L57 HydrophobicContact CB-CD1 3.6Å; P40-L57 HydrophobicContact CB-CD2 3.99Å; P40-L57 HydrophobicContact CB-CG 3.86Å; P40-F58 WeakPolarHBondContact CA-O 3.45Å
41	V	87.4	Confident	75	Confident	58 Å²	58	84.7 Å²	84.7	35%	0.352	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	141.5	-177.4	-77.8	0	0	0	0	110.2	F39 R43 F58	F39-V41 PolarHBondContact O-N 3.03Å; V41-R43 HydrophobicContact CG2-CG 4.42Å; V41-R43 PolarHBondContact O-N 3.18Å; V41-F58 HydrophobicContact CG2-CB 4.46Å; V41-F58 HydrophobicContact CG2-CD1 4.15Å; V41-F58 PolarHBondContact N-O 3.49Å; V41-F58 PolarHBondContact O-N 3.36Å
42	I	91.9	Very high	76.1	Confident	101 Å²	101	87.6 Å²	87.6	52%	0.518	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	128	172.9	-60	-60.2	0	0	0	108.8	Y44 A55 F56 L57	I42-Y44 HydrophobicContact CG2-CE2 4.5Å; I42-A55 HydrophobicContact CG2-CB 3.94Å; I42-F56 WeakPolarHBondContact CA-O 3.49Å; I42-L57 HydrophobicContact CD1-CD1 3.97Å
43	R	91.9	Very high	77.6	Confident	44 Å²	44	79.5 Å²	79.5	17%	0.166	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	172	174.4	-65.2	-65.3	-178	79.3	1	109.2	V41 A55 F56 F58 N67 F68	V41-R43 HydrophobicContact CG2-CG 4.42Å; V41-R43 PolarHBondContact O-N 3.18Å; R43-A55 CarbonylContact O-C 3.6Å; R43-A55 VanDerWaalsContact O-CA 3.24Å; R43-A55 WeakPolarHBondContact O-CA 3.35Å; R43-F56 HydrophobicContact CB-CD1 3.9Å; R43-F56 HydrophobicContact CB-CE1 3.41Å; R43-F56 VanDerWaalsContact CB-CE1 3.41Å; R43-F56 HydrophobicContact CB-CZ 3.87Å; R43-F56 PolarHBondContact N-O 3.5Å; R43-F56 WeakPolarHBondContact O-CD1 3.36Å; R43-F56 PolarHBondContact O-N 2.8Å; R43-F58 HydrophobicContact CB-CB 4.08Å; R43-F58 HydrophobicContact CG-CB 3.45Å; R43-F58 VanDerWaalsContact CG-CB 3.45Å; R43-F58 HydrophobicContact CG-CD1 4.2Å; R43-F58 HydrophobicContact CG-CG 4.13Å; R43-N67 WeakPolarHBondContact CB-OD1 2.99Å; R43-N67 WeakPolarHBondContact CD-OD1 3.48Å; R43-N67 WeakPolarHBondContact CG-OD1 3.48Å; R43-N67 PolarHBondContact NH1-OD1 2.87Å; R43-F68 WeakPolarHBondContact CA-O 3.31Å; R43-F68 WeakPolarHBondContact CD-O 3.26Å
44	Y	92.7	Very high	79.4	Confident	64 Å²	64	78.4 Å²	78.4	25%	0.251	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	143.5	177.5	-65.3	-95.8	0	0	0	110.8	I42 K54 A55 N67 F68 Y71	I42-Y44 HydrophobicContact CG2-CE2 4.5Å; Y44-K54 CarbonylContact C-O 3.5Å; Y44-K54 WeakPolarHBondContact CA-O 3.28Å; Y44-A55 HydrophobicContact CD1-CB 4.21Å; Y44-A55 HydrophobicContact CE1-CB 3.9Å; Y44-N67 CarbonylContact O-C 3.49Å; Y44-N67 WeakPolarHBondContact O-CA 3.47Å; Y44-F68 PolarHBondContact N-O 3.24Å; Y44-F68 WeakPolarHBondContact O-CD2 3.28Å; Y44-F68 PolarHBondContact O-N 3.23Å; Y44-Y71 HydrophobicContact CD1-CD2 4.03Å; Y44-Y71 HydrophobicContact CD1-CG 4.47Å; Y44-Y71 HydrophobicContact CE1-CD2 4.09Å; Y44-Y71 HydrophobicContact CE1-CG 4.4Å
45	Y	90.9	Very high	81.4	Confident	25 Å²	25	73 Å²	73	10%	0.098	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	152.8	173.3	73.3	-81.2	0	0	0	109.5	E24 Y25 C53 K54 F56 N66	E24-Y45 HydrophobicContact CB-CD2 4.36Å; E24-Y45 HydrophobicContact CB-CE2 4.38Å; Y25-Y45 HydrophobicContact CD1-CD1 4.34Å; Y25-Y45 AromaticContact CD1-CD2 3.91Å; Y25-Y45 HydrophobicContact CD1-CD2 3.91Å; Y25-Y45 AromaticContact CD1-CE1 3.93Å; Y25-Y45 HydrophobicContact CD1-CE1 3.93Å; Y25-Y45 AromaticContact CD1-CE2 3.46Å; Y25-Y45 HydrophobicContact CD1-CE2 3.46Å; Y25-Y45 VanDerWaalsContact CD1-CE2 3.46Å; Y25-Y45 HydrophobicContact CD1-CG 4.32Å; Y25-Y45 AromaticContact CD1-CZ 3.45Å; Y25-Y45 VanDerWaalsContact CD1-CZ 3.45Å; Y25-Y45 HydrophobicContact CE1-CE1 4.4Å; Y25-Y45 HydrophobicContact CE1-CE2 4.19Å; Y25-Y45 AromaticContact CE1-CZ 3.84Å; Y25-Y45 HydrophobicContact CG-CD1 4.15Å; Y25-Y45 HydrophobicContact CG-CD2 4.18Å; Y25-Y45 HydrophobicContact CG-CE1 4.09Å; Y25-Y45 HydrophobicContact CG-CE2 4.14Å; Y25-Y45 HydrophobicContact CG-CG 4.17Å; Y45-C53 CarbonylContact O-C 3.57Å; Y45-C53 VanDerWaalsContact O-CA 3.31Å; Y45-C53 WeakPolarHBondContact O-CA 3.24Å; Y45-K54 HydrophobicContact CD1-CB 4.21Å; Y45-K54 VanDerWaalsContact CD1-O 3.28Å; Y45-K54 WeakPolarHBondContact CD1-O 3.31Å; Y45-K54 HydrophobicContact CE1-CB 3.67Å; Y45-K54 PolarHBondContact N-O 2.99Å; Y45-K54 PolarHBondContact O-N 3.4Å; Y45-F56 HydrophobicContact CD1-CB 3.89Å; Y45-F56 AromaticContact CD1-CD1 3.54Å; Y45-F56 HydrophobicContact CD1-CD1 3.54Å; Y45-F56 HydrophobicContact CD1-CE1 4.26Å; Y45-F56 AromaticContact CD1-CG 3.92Å; Y45-F56 HydrophobicContact CD1-CG 3.92Å; Y45-F56 HydrophobicContact CE1-CB 3.88Å; Y45-F56 HydrophobicContact CE1-CD1 4.39Å; Y45-F56 HydrophobicContact CE1-CG 4.4Å; Y45-F56 HydrophobicContact CG-CD1 4.29Å; Y45-N66 WeakPolarHBondContact CA-O 3.24Å; Y45-N66 WeakPolarHBondContact CB-O 3.46Å
46	F	86.7	Confident	83.1	Confident	7 Å²	7	64.3 Å²	64.3	3%	0.031	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	128.3	176.5	-177.6	-105.9	0	0	0	110.8	L48 L51 K52 N66 C78 M79 V81	F46-L48 HydrophobicContact CD1-CD2 4.41Å; F46-L48 HydrophobicContact CE1-CD2 3.91Å; F46-L48 HydrophobicContact CE1-CG 4.44Å; F46-L51 HydrophobicContact CE1-CD2 4.43Å; F46-L51 VanDerWaalsContact CE2-C 3.48Å; F46-L51 HydrophobicContact CZ-CB 4.33Å; F46-L51 HydrophobicContact CZ-CD2 3.97Å; F46-K52 WeakPolarHBondContact CA-O 3.36Å; F46-N66 PolarHBondContact N-ND2 3Å; F46-N66 PolarHBondContact N-OD1 2.73Å; F46-N66 PolarHBondContact O-ND2 2.74Å; F46-C78 HydrophobicContact CB-CB 3.59Å; F46-C78 VanDerWaalsContact CB-SG 3.54Å; F46-C78 HydrophobicContact CD1-CB 3.82Å; F46-C78 HydrophobicContact CD2-CB 3.51Å; F46-C78 HydrophobicContact CE1-CB 4.33Å; F46-C78 HydrophobicContact CE2-CB 4.07Å; F46-C78 HydrophobicContact CG-CB 3.36Å; F46-C78 HydrophobicContact CZ-CB 4.44Å; F46-M79 HydrophobicContact CD2-SD 4.5Å; F46-M79 HydrophobicContact CE2-SD 3.69Å; F46-V81 HydrophobicContact CE1-CG1 3.78Å; F46-V81 HydrophobicContact CZ-CG1 3.89Å
47	T	86.4	Confident	85	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.006	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	129.3	171.5	172.9	0	0	0	0	110.2	E24 S49 E50 L51 K52 K54	E24-T47 PolarHBondContact OE1-OG1 3.05Å; E24-T47 VanDerWaalsContact OE1-OG1 3.11Å; E24-T47 WeakPolarHBondContact OE2-CA 3.36Å; E24-T47 WeakPolarHBondContact OE2-CB 3.43Å; E24-T47 PolarHBondContact OE2-OG1 3.15Å; T47-S49 PolarHBondContact OG1-N 2.98Å; T47-S49 PolarHBondContact OG1-OG 3.3Å; T47-E50 HydrophobicContact CG2-CB 3.72Å; T47-E50 HydrophobicContact CG2-CG 4.37Å; T47-L51 VanDerWaalsContact O-CA 3.27Å; T47-L51 WeakPolarHBondContact O-CA 3.34Å; T47-L51 PolarHBondContact O-N 3.17Å; T47-K52 HydrophobicContact CG2-CB 4.33Å; T47-K52 WeakPolarHBondContact CG2-O 3.34Å; T47-K52 PolarHBondContact N-O 3.39Å; T47-K52 PolarHBondContact O-N 2.9Å; T47-K54 HydrophobicContact CG2-CD 4.06Å; T47-K54 HydrophobicContact CG2-CG 4.35Å
48	L	80.4	Confident	86.4	Confident	106 Å²	106	60.2 Å²	60.2	56%	0.555	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-33.7	178.8	-76.2	165.6	0	0	0	111	E24 F46 E50 L51	E24-L48 PolarHBondContact OE1-N 3.41Å; F46-L48 HydrophobicContact CD1-CD2 4.41Å; F46-L48 HydrophobicContact CE1-CD2 3.91Å; F46-L48 HydrophobicContact CE1-CG 4.44Å; L48-E50 PolarHBondContact O-N 3.4Å; L48-L51 WeakPolarHBondContact O-CD2 3.2Å
49	S	82.4	Confident	87.4	Confident	97 Å²	97	61.2 Å²	61.2	68%	0.678	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-34.5	-178.2	65.9	0	0	0	0	113.2	T47	T47-S49 PolarHBondContact OG1-N 2.98Å; T47-S49 PolarHBondContact OG1-OG 3.3Å
50	E	84.6	Confident	87.5	Confident	95 Å²	95	55.3 Å²	55.3	44%	0.444	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-5.2	-179.2	-61.4	170.4	-129.9	0	0	113.6	T47 L48 K52 K54	T47-E50 HydrophobicContact CG2-CB 3.72Å; T47-E50 HydrophobicContact CG2-CG 4.37Å; L48-E50 PolarHBondContact O-N 3.4Å; E50-K52 VanDerWaalsContact C-N 3.29Å; E50-K52 HydrophobicContact CB-CB 4.48Å; E50-K52 WeakPolarHBondContact O-CG 3.45Å; E50-K52 PolarHBondContact O-N 3.07Å; E50-K54 IonicContact OE1-NZ 2.55Å; E50-K54 PolarHBondContact OE1-NZ 3.44Å; E50-K54 WeakPolarHBondContact OE2-CE 3.41Å; E50-K54 IonicContact OE2-NZ 2.76Å; E50-K54 PolarHBondContact OE2-NZ 3.15Å
51	L	83.2	Confident	87.2	Confident	65 Å²	65	55.3 Å²	55.3	34%	0.34	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	46.1	-176.4	-58.2	174.8	0	0	0	112.5	F46 T47 L48 V82	F46-L51 HydrophobicContact CE1-CD2 4.43Å; F46-L51 VanDerWaalsContact CE2-C 3.48Å; F46-L51 HydrophobicContact CZ-CB 4.33Å; F46-L51 HydrophobicContact CZ-CD2 3.97Å; T47-L51 VanDerWaalsContact O-CA 3.27Å; T47-L51 WeakPolarHBondContact O-CA 3.34Å; T47-L51 PolarHBondContact O-N 3.17Å; L48-L51 WeakPolarHBondContact O-CD2 3.2Å; L51-V82 HydrophobicContact CB-CG2 4.02Å; L51-V82 HydrophobicContact CD1-CG1 4.35Å; L51-V82 HydrophobicContact CD1-CG2 4.16Å; L51-V82 HydrophobicContact CD2-CG2 4.13Å; L51-V82 HydrophobicContact CG-CG2 4.33Å
52	K	87.3	Confident	86.6	Confident	120 Å²	120	54.6 Å²	54.6	52%	0.522	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	150.7	-173.7	-76.7	173.7	-171.4	179.4	0	112	F46 T47 E50	F46-K52 WeakPolarHBondContact CA-O 3.36Å; T47-K52 HydrophobicContact CG2-CB 4.33Å; T47-K52 WeakPolarHBondContact CG2-O 3.34Å; T47-K52 PolarHBondContact N-O 3.39Å; T47-K52 PolarHBondContact O-N 2.9Å; E50-K52 VanDerWaalsContact C-N 3.29Å; E50-K52 HydrophobicContact CB-CB 4.48Å; E50-K52 WeakPolarHBondContact O-CG 3.45Å; E50-K52 PolarHBondContact O-N 3.07Å
53	C	91.1	Very high	85.9	Confident	10 Å²	10	50.3 Å²	50.3	7%	0.068	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	128.5	167.3	-70.9	0	0	0	0	110.9	Y45 Y71 C74 F75	Y45-C53 CarbonylContact O-C 3.57Å; Y45-C53 VanDerWaalsContact O-CA 3.31Å; Y45-C53 WeakPolarHBondContact O-CA 3.24Å; C53-Y71 HydrophobicContact CB-CD2 3.76Å; C53-Y71 HydrophobicContact CB-CE2 3.63Å; C53-Y71 WeakPolarHBondContact O-CE2 3.48Å; C53-C74 HydrophobicContact CB-CB 3.75Å; C53-C74 WeakPolarHBondContact CB-SG 3.14Å; C53-C74 WeakPolarHBondContact SG-CB 3.44Å; C53-C74 PolarHBondContact SG-O 3.32Å; C53-C74 CovalentContact SG-SG 2.03Å; C53-C74 PolarHBondContact SG-SG 2.92Å; C53-F75 PolarHBondContact SG-N 3.47Å
54	K	94	Very high	85.2	Confident	67 Å²	67	50 Å²	50	29%	0.291	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	149.1	-179.7	-69.4	-175.9	174.5	-173.5	0	110.9	Y44 Y45 T47 E50	Y44-K54 CarbonylContact C-O 3.5Å; Y44-K54 WeakPolarHBondContact CA-O 3.28Å; Y45-K54 HydrophobicContact CD1-CB 4.21Å; Y45-K54 VanDerWaalsContact CD1-O 3.28Å; Y45-K54 WeakPolarHBondContact CD1-O 3.31Å; Y45-K54 HydrophobicContact CE1-CB 3.67Å; Y45-K54 PolarHBondContact N-O 2.99Å; Y45-K54 PolarHBondContact O-N 3.4Å; T47-K54 HydrophobicContact CG2-CD 4.06Å; T47-K54 HydrophobicContact CG2-CG 4.35Å; E50-K54 IonicContact OE1-NZ 2.55Å; E50-K54 PolarHBondContact OE1-NZ 3.44Å; E50-K54 WeakPolarHBondContact OE2-CE 3.41Å; E50-K54 IonicContact OE2-NZ 2.76Å; E50-K54 PolarHBondContact OE2-NZ 3.15Å
55	A	95.2	Very high	84.7	Confident	57 Å²	57	49.4 Å²	49.4	47%	0.471	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	145.6	174.4	0	0	0	0	0	110.9	I42 R43 Y44	I42-A55 HydrophobicContact CG2-CB 3.94Å; R43-A55 CarbonylContact O-C 3.6Å; R43-A55 VanDerWaalsContact O-CA 3.24Å; R43-A55 WeakPolarHBondContact O-CA 3.35Å; Y44-A55 HydrophobicContact CD1-CB 4.21Å; Y44-A55 HydrophobicContact CE1-CB 3.9Å
56	F	92.4	Very high	84.5	Confident	13 Å²	13	49.2 Å²	49.2	6%	0.057	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	163.6	169	76.8	-69.1	0	0	0	110.4	Y25 D26 I42 R43 Y45 F58 N67	Y25-F56 HydrophobicContact CD2-CB 4.22Å; Y25-F56 AromaticContact CD2-CD2 3.79Å; Y25-F56 HydrophobicContact CD2-CD2 3.79Å; Y25-F56 HydrophobicContact CD2-CE2 4.39Å; Y25-F56 HydrophobicContact CD2-CG 4.16Å; Y25-F56 HydrophobicContact CE2-CB 4.5Å; D26-F56 WeakPolarHBondContact O-CE2 3.07Å; I42-F56 WeakPolarHBondContact CA-O 3.49Å; R43-F56 HydrophobicContact CB-CD1 3.9Å; R43-F56 HydrophobicContact CB-CE1 3.41Å; R43-F56 VanDerWaalsContact CB-CE1 3.41Å; R43-F56 HydrophobicContact CB-CZ 3.87Å; R43-F56 PolarHBondContact N-O 3.5Å; R43-F56 WeakPolarHBondContact O-CD1 3.36Å; R43-F56 PolarHBondContact O-N 2.8Å; Y45-F56 HydrophobicContact CD1-CB 3.89Å; Y45-F56 AromaticContact CD1-CD1 3.54Å; Y45-F56 HydrophobicContact CD1-CD1 3.54Å; Y45-F56 HydrophobicContact CD1-CE1 4.26Å; Y45-F56 AromaticContact CD1-CG 3.92Å; Y45-F56 HydrophobicContact CD1-CG 3.92Å; Y45-F56 HydrophobicContact CE1-CB 3.88Å; Y45-F56 HydrophobicContact CE1-CD1 4.39Å; Y45-F56 HydrophobicContact CE1-CG 4.4Å; Y45-F56 HydrophobicContact CG-CD1 4.29Å; F56-F58 HydrophobicContact CE2-CB 4.03Å; F56-F58 HydrophobicContact CE2-CD2 4.41Å; F56-F58 HydrophobicContact CZ-CB 4.29Å; F56-N67 HydrophobicContact CE1-CB 4.49Å; F56-N67 HydrophobicContact CZ-CB 4.09Å
57	L	91	Very high	84.5	Confident	66 Å²	66	49.4 Å²	49.4	35%	0.346	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	112.3	176.3	-171	68.6	0	0	0	109.7	P40 I42	P40-L57 HydrophobicContact CB-CD1 3.6Å; P40-L57 HydrophobicContact CB-CD2 3.99Å; P40-L57 HydrophobicContact CB-CG 3.86Å; I42-L57 HydrophobicContact CD1-CD1 3.97Å
58	F	87.6	Confident	84.6	Confident	15 Å²	15	50 Å²	50	7%	0.066	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	126.6	173.3	178.6	-120.5	0	0	0	110.3	E27 P40 V41 R43 F56 G60 G62 N67	E27-F58 WeakPolarHBondContact O-CD2 3.33Å; P40-F58 WeakPolarHBondContact CA-O 3.45Å; V41-F58 HydrophobicContact CG2-CB 4.46Å; V41-F58 HydrophobicContact CG2-CD1 4.15Å; V41-F58 PolarHBondContact N-O 3.49Å; V41-F58 PolarHBondContact O-N 3.36Å; R43-F58 HydrophobicContact CB-CB 4.08Å; R43-F58 HydrophobicContact CG-CB 3.45Å; R43-F58 VanDerWaalsContact CG-CB 3.45Å; R43-F58 HydrophobicContact CG-CD1 4.2Å; R43-F58 HydrophobicContact CG-CG 4.13Å; F56-F58 HydrophobicContact CE2-CB 4.03Å; F56-F58 HydrophobicContact CE2-CD2 4.41Å; F56-F58 HydrophobicContact CZ-CB 4.29Å; F58-G60 VanDerWaalsContact C-N 3.29Å; F58-G60 PolarHBondContact O-N 3.29Å; F58-G62 VanDerWaalsContact CE2-O 3.24Å; F58-G62 WeakPolarHBondContact CE2-O 3.44Å; F58-G62 VanDerWaalsContact CZ-O 3.28Å; F58-G62 WeakPolarHBondContact CZ-O 3.19Å; F58-N67 WeakPolarHBondContact CD2-ND2 3.49Å; F58-N67 WeakPolarHBondContact CG-ND2 3.46Å
59	R	83.8	Confident	85.1	Confident	76 Å²	76	49 Å²	49	29%	0.287	28%	0.275	S	S	.	.			trans	-83.5	-3.4	-173.9	-63.4	175.5	-175.9	-93	-1.5	114	E27 L29 Q30	E27-R59 WeakPolarHBondContact O-CB 3.34Å; E27-R59 PolarHBondContact O-N 3.17Å; E27-R59 IonicContact OE2-CZ 3.5Å; E27-R59 IonicContact OE2-NE 3.07Å; E27-R59 PolarHBondContact OE2-NE 3.26Å; E27-R59 IonicContact OE2-NH2 2.98Å; E27-R59 PolarHBondContact OE2-NH2 3.17Å; L29-R59 CarbonylContact O-C 3.54Å; Q30-R59 HydrophobicContact CB-CB 4.08Å; Q30-R59 HydrophobicContact CB-CG 4.44Å
60	G	74.2	Confident	85.5	Confident	21 Å²	21	46.3 Å²	46.3	22%	0.216	26%	0.256	C	S	.	.	S	Bend	trans	103.7	-14.7	163.7	0	0	0	0	0	116	F58	F58-G60 VanDerWaalsContact C-N 3.29Å; F58-G60 PolarHBondContact O-N 3.29Å
61	V	77.2	Confident	85.9	Confident	53 Å²	53	45.9 Å²	45.9	32%	0.321	25%	0.251	S	S	.	.	B	Isolated β-bridge	trans	-132.8	143	175	-171.2	0	0	0	0	110.5	G28 L29 V31 N38	G28-V61 CarbonylContact C-O 3.47Å; G28-V61 VanDerWaalsContact CA-O 3.23Å; G28-V61 WeakPolarHBondContact CA-O 3.2Å; L29-V61 PolarHBondContact N-O 2.85Å; L29-V61 PolarHBondContact O-N 2.88Å; V31-V61 HydrophobicContact CB-CG2 4.25Å; V31-V61 HydrophobicContact CG2-CB 3.94Å; V31-V61 HydrophobicContact CG2-CG1 4.25Å; V31-V61 HydrophobicContact CG2-CG2 3.77Å; N38-V61 HydrophobicContact CB-CG2 4.46Å; N38-V61 WeakPolarHBondContact ND2-CG2 3.49Å
62	G	74.5	Confident	86.2	Confident	44 Å²	44	46.8 Å²	46.8	45%	0.454	25%	0.253	S	S	.	.			trans	76	-151.7	-176.2	0	0	0	0	0	111.4	F58	F58-G62 VanDerWaalsContact CE2-O 3.24Å; F58-G62 WeakPolarHBondContact CE2-O 3.44Å; F58-G62 VanDerWaalsContact CZ-O 3.28Å; F58-G62 WeakPolarHBondContact CZ-O 3.19Å
63	G	76	Confident	86.3	Confident	11 Å²	11	45.2 Å²	45.2	11%	0.113	25%	0.248	C	C	.	.			trans	97.2	174.4	-174.9	0	0	0	0	0	113.7	G10 D26	G10-G63 WeakPolarHBondContact CA-O 3.21Å; D26-G63 VanDerWaalsContact OD2-CA 3.26Å; D26-G63 WeakPolarHBondContact OD2-CA 3Å; D26-G63 PolarHBondContact OD2-N 2.91Å
64	N	77.5	Confident	86.3	Confident	38 Å²	38	44.7 Å²	44.7	20%	0.203	25%	0.245	C	C	.	.			trans	-104.9	174.4	173	73.9	16.7	0	0	0	111.2	V23 E24 Y25 D26 N66	V23-N64 PolarHBondContact O-ND2 2.82Å; E24-N64 PolarHBondContact O-ND2 3.43Å; Y25-N64 WeakPolarHBondContact CA-ND2 3.36Å; D26-N64 HydrophobicContact CB-CB 4.37Å; N64-N66 PolarHBondContact O-N 2.03Å; N64-N66 WeakPolarHBondContact OD1-CB 3.42Å; N64-N66 PolarHBondContact OD1-N 2.82Å
65	F	82.5	Confident	86.1	Confident	50 Å²	50	41.7 Å²	41.7	22%	0.219	23%	0.232	C	C	.	.	S	Bend	trans	-72.1	-12.4	-177.9	-68.2	-72.1	0	0	0	114.8	I4 G10 N67	I4-F65 HydrophobicContact CG2-CB 4.4Å; I4-F65 WeakPolarHBondContact O-CB 3.42Å; G10-F65 WeakPolarHBondContact O-CE2 3.49Å; G10-F65 WeakPolarHBondContact O-CZ 3Å; F65-N67 PolarHBondContact O-N 3.45Å
66	N	85.7	Confident	85.6	Confident	21 Å²	21	41.5 Å²	41.5	11%	0.112	22%	0.223	C	C	.	.			trans	-81.4	58.9	177.9	-165	11.5	0	0	0	110.1	E24 Y45 F46 N64 F68	E24-N66 WeakPolarHBondContact O-CB 3.2Å; E24-N66 PolarHBondContact O-ND2 2.89Å; Y45-N66 WeakPolarHBondContact CA-O 3.24Å; Y45-N66 WeakPolarHBondContact CB-O 3.46Å; F46-N66 PolarHBondContact N-ND2 3Å; F46-N66 PolarHBondContact N-OD1 2.73Å; F46-N66 PolarHBondContact O-ND2 2.74Å; N64-N66 PolarHBondContact O-N 2.03Å; N64-N66 WeakPolarHBondContact OD1-CB 3.42Å; N64-N66 PolarHBondContact OD1-N 2.82Å; N66-F68 WeakPolarHBondContact OD1-CE2 3.32Å
67	N	87.2	Confident	85.3	Confident	12 Å²	12	45.6 Å²	45.6	6%	0.064	24%	0.238	C	C	.	.			trans	-145	111	-171.6	-176.6	-29.9	0	0	0	109.6	R43 Y44 F56 F58 F65	R43-N67 WeakPolarHBondContact CB-OD1 2.99Å; R43-N67 WeakPolarHBondContact CD-OD1 3.48Å; R43-N67 WeakPolarHBondContact CG-OD1 3.48Å; R43-N67 PolarHBondContact NH1-OD1 2.87Å; Y44-N67 CarbonylContact O-C 3.49Å; Y44-N67 WeakPolarHBondContact O-CA 3.47Å; F56-N67 HydrophobicContact CE1-CB 4.49Å; F56-N67 HydrophobicContact CZ-CB 4.09Å; F58-N67 WeakPolarHBondContact CD2-ND2 3.49Å; F58-N67 WeakPolarHBondContact CG-ND2 3.46Å; F65-N67 PolarHBondContact O-N 3.45Å
68	F	89.4	Confident	85.2	Confident	13 Å²	13	42.8 Å²	42.8	6%	0.057	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-121.1	146.5	-174.5	-57	-86.4	0	0	0	110.9	R43 Y44 N66 S70 Q73 C74 Y77 C78	R43-F68 WeakPolarHBondContact CA-O 3.31Å; R43-F68 WeakPolarHBondContact CD-O 3.26Å; Y44-F68 PolarHBondContact N-O 3.24Å; Y44-F68 WeakPolarHBondContact O-CD2 3.28Å; Y44-F68 PolarHBondContact O-N 3.23Å; N66-F68 WeakPolarHBondContact OD1-CE2 3.32Å; F68-S70 VanDerWaalsContact C-N 3.32Å; F68-S70 PolarHBondContact O-N 3.14Å; F68-Q73 HydrophobicContact CB-CB 4.2Å; F68-Q73 HydrophobicContact CD1-CB 4.28Å; F68-C74 HydrophobicContact CB-CB 3.77Å; F68-C74 HydrophobicContact CD1-CB 4.43Å; F68-C74 HydrophobicContact CD2-CB 3.43Å; F68-C74 VanDerWaalsContact CD2-CB 3.43Å; F68-C74 HydrophobicContact CE2-CB 4.13Å; F68-C74 VanDerWaalsContact CG-CA 3.47Å; F68-C74 HydrophobicContact CG-CB 3.62Å; F68-Y77 AromaticContact CE1-CD1 3.87Å; F68-Y77 HydrophobicContact CE1-CD1 3.87Å; F68-Y77 AromaticContact CE1-CG 3.79Å; F68-Y77 HydrophobicContact CE1-CG 3.79Å; F68-Y77 AromaticContact CZ-CD1 3.72Å; F68-Y77 HydrophobicContact CZ-CD1 3.72Å; F68-Y77 HydrophobicContact CZ-CE1 4.48Å; F68-Y77 HydrophobicContact CZ-CG 4.11Å; F68-C78 WeakPolarHBondContact CZ-SG 3.25Å
69	L	89.5	Confident	85.2	Confident	85 Å²	85	42.2 Å²	42.2	45%	0.445	22%	0.222	S	C	.	.	S	Bend	trans	-71.9	-28.1	-178.4	-68.1	165.7	0	0	0	112.5	F8	F8-L69 HydrophobicContact CD2-CD1 4.5Å; F8-L69 HydrophobicContact CE2-CD1 4.04Å; F8-L69 HydrophobicContact CZ-CD1 4.33Å
70	S	91.2	Very high	85.2	Confident	40 Å²	40	40.8 Å²	40.8	28%	0.28	22%	0.223	S	C	.	.	S	Bend	trans	-138.3	158.8	179.9	72.5	0	0	0	0	111.3	F68 E72 Q73 C74	F68-S70 VanDerWaalsContact C-N 3.32Å; F68-S70 PolarHBondContact O-N 3.14Å; S70-E72 PolarHBondContact O-N 2.81Å; S70-Q73 PolarHBondContact O-N 3.25Å; S70-Q73 WeakPolarHBondContact OG-CG 3.44Å; S70-Q73 PolarHBondContact OG-N 3.48Å; S70-Q73 VanDerWaalsContact OG-N 3.15Å; S70-C74 PolarHBondContact O-N 2.91Å
71	Y	93	Very high	85.7	Confident	86 Å²	86	42.9 Å²	42.9	34%	0.337	23%	0.231	S	C	.	.	H	α-helix	trans	-56.4	-42.1	171.7	178.2	-89.7	0	0	0	111.3	Y44 C53 Q73 C74 F75	Y44-Y71 HydrophobicContact CD1-CD2 4.03Å; Y44-Y71 HydrophobicContact CD1-CG 4.47Å; Y44-Y71 HydrophobicContact CE1-CD2 4.09Å; Y44-Y71 HydrophobicContact CE1-CG 4.4Å; C53-Y71 HydrophobicContact CB-CD2 3.76Å; C53-Y71 HydrophobicContact CB-CE2 3.63Å; C53-Y71 WeakPolarHBondContact O-CE2 3.48Å; Y71-Q73 PolarHBondContact O-N 3.39Å; Y71-C74 PolarHBondContact O-N 3.42Å; Y71-F75 HydrophobicContact CD1-CB 4.4Å; Y71-F75 HydrophobicContact CE1-CB 4.09Å; Y71-F75 AromaticContact CE1-CD2 3.92Å; Y71-F75 HydrophobicContact CE1-CD2 3.92Å; Y71-F75 HydrophobicContact CE1-CG 4.26Å; Y71-F75 AromaticContact CZ-CD2 4Å; Y71-F75 VanDerWaalsContact O-CB 3.28Å; Y71-F75 WeakPolarHBondContact O-CB 3.08Å; Y71-F75 PolarHBondContact O-N 3.02Å
72	E	90.4	Very high	86	Confident	84 Å²	84	40.8 Å²	40.8	39%	0.393	22%	0.218	S	C	.	.	H	α-helix	trans	-62.4	-43.4	-178.5	-161.8	173.6	-174.1	0	0	111.4	S70 C74 F75 D76 R95	S70-E72 PolarHBondContact O-N 2.81Å; E72-C74 PolarHBondContact O-N 3.28Å; E72-F75 PolarHBondContact O-N 2.77Å; E72-D76 WeakPolarHBondContact O-CB 3.1Å; E72-D76 PolarHBondContact O-N 2.87Å; E72-R95 IonicContact OE1-CZ 3.54Å; E72-R95 IonicContact OE1-NH1 2.77Å; E72-R95 PolarHBondContact OE1-NH1 3.36Å
73	Q	88.7	Confident	86.4	Confident	87 Å²	87	39 Å²	39	41%	0.407	20%	0.199	S	C	.	.	H	α-helix	trans	-63.1	-43	175.2	-75.2	178.1	4.7	0	0	112.9	F68 S70 Y71 F75 Y77	F68-Q73 HydrophobicContact CB-CB 4.2Å; F68-Q73 HydrophobicContact CD1-CB 4.28Å; S70-Q73 PolarHBondContact O-N 3.25Å; S70-Q73 WeakPolarHBondContact OG-CG 3.44Å; S70-Q73 PolarHBondContact OG-N 3.48Å; S70-Q73 VanDerWaalsContact OG-N 3.15Å; Y71-Q73 PolarHBondContact O-N 3.39Å; Q73-F75 VanDerWaalsContact C-N 3.33Å; Q73-Y77 WeakPolarHBondContact O-CB 3.27Å; Q73-Y77 PolarHBondContact O-N 3.26Å; Q73-Y77 VanDerWaalsContact O-N 3.17Å
74	C	90.9	Very high	86	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.6	-45.9	175	175.7	0	0	0	0	110.8	C53 F68 S70 Y71 E72 C78	C53-C74 HydrophobicContact CB-CB 3.75Å; C53-C74 WeakPolarHBondContact CB-SG 3.14Å; C53-C74 WeakPolarHBondContact SG-CB 3.44Å; C53-C74 PolarHBondContact SG-O 3.32Å; C53-C74 CovalentContact SG-SG 2.03Å; C53-C74 PolarHBondContact SG-SG 2.92Å; F68-C74 HydrophobicContact CB-CB 3.77Å; F68-C74 HydrophobicContact CD1-CB 4.43Å; F68-C74 HydrophobicContact CD2-CB 3.43Å; F68-C74 VanDerWaalsContact CD2-CB 3.43Å; F68-C74 HydrophobicContact CE2-CB 4.13Å; F68-C74 VanDerWaalsContact CG-CA 3.47Å; F68-C74 HydrophobicContact CG-CB 3.62Å; S70-C74 PolarHBondContact O-N 2.91Å; Y71-C74 PolarHBondContact O-N 3.42Å; E72-C74 PolarHBondContact O-N 3.28Å; C74-C78 VanDerWaalsContact O-CB 3.28Å; C74-C78 WeakPolarHBondContact O-CB 3.48Å; C74-C78 PolarHBondContact O-N 2.84Å
75	F	89.9	Confident	85	Confident	4 Å²	4	53.4 Å²	53.4	2%	0.018	26%	0.263	C	S	.	.	H	α-helix	trans	-62.9	-55.2	-177	-175.1	-84.6	0	0	0	110.5	C53 Y71 E72 Q73 Y77 C78 M79 L96 R98 I115	C53-F75 PolarHBondContact SG-N 3.47Å; Y71-F75 HydrophobicContact CD1-CB 4.4Å; Y71-F75 HydrophobicContact CE1-CB 4.09Å; Y71-F75 AromaticContact CE1-CD2 3.92Å; Y71-F75 HydrophobicContact CE1-CD2 3.92Å; Y71-F75 HydrophobicContact CE1-CG 4.26Å; Y71-F75 AromaticContact CZ-CD2 4Å; Y71-F75 VanDerWaalsContact O-CB 3.28Å; Y71-F75 WeakPolarHBondContact O-CB 3.08Å; Y71-F75 PolarHBondContact O-N 3.02Å; E72-F75 PolarHBondContact O-N 2.77Å; Q73-F75 VanDerWaalsContact C-N 3.33Å; F75-Y77 PolarHBondContact O-N 2.89Å; F75-C78 PolarHBondContact O-N 3.13Å; F75-M79 HydrophobicContact CB-CG 4.29Å; F75-M79 HydrophobicContact CD1-CB 4.45Å; F75-M79 HydrophobicContact CD1-CG 3.98Å; F75-M79 HydrophobicContact CD2-CG 3.4Å; F75-M79 HydrophobicContact CD2-SD 4.12Å; F75-M79 HydrophobicContact CE1-CB 4.43Å; F75-M79 HydrophobicContact CE1-CG 4.12Å; F75-M79 HydrophobicContact CE2-CE 4.14Å; F75-M79 HydrophobicContact CE2-CG 3.56Å; F75-M79 HydrophobicContact CE2-SD 4.08Å; F75-M79 HydrophobicContact CG-CG 3.62Å; F75-M79 HydrophobicContact CZ-CB 4.49Å; F75-M79 HydrophobicContact CZ-CE 4.5Å; F75-M79 HydrophobicContact CZ-CG 3.92Å; F75-M79 WeakPolarHBondContact O-CB 3.28Å; F75-M79 WeakPolarHBondContact O-CG 3.28Å; F75-M79 PolarHBondContact O-N 3.16Å; F75-L96 HydrophobicContact CD1-CD1 4.14Å; F75-L96 HydrophobicContact CE1-CB 4.07Å; F75-L96 HydrophobicContact CE1-CD1 4.06Å; F75-R98 HydrophobicContact CE1-CG 3.91Å; F75-R98 HydrophobicContact CZ-CG 3.9Å; F75-I115 HydrophobicContact CE1-CG2 3.6Å; F75-I115 HydrophobicContact CE2-CG2 4.38Å; F75-I115 HydrophobicContact CZ-CG2 3.33Å
76	D	85.1	Confident	84.1	Confident	52 Å²	52	53.2 Å²	53.2	28%	0.278	26%	0.263	S	S	.	.	H	α-helix	trans	-62.3	-33.9	-176.8	-68	-16.7	0	0	0	112.3	E72 P80	E72-D76 WeakPolarHBondContact O-CB 3.1Å; E72-D76 PolarHBondContact O-N 2.87Å; D76-P80 WeakPolarHBondContact O-CD 3.2Å; D76-P80 WeakPolarHBondContact O-CG 3.4Å
77	Y	85.8	Confident	83.9	Confident	99 Å²	99	59.6 Å²	59.6	39%	0.388	29%	0.289	S	S	.	.	H	α-helix	trans	-78	-46	179.8	-169.2	-86.9	0	0	0	113.3	I4 K5 F68 Q73 F75	I4-Y77 VanDerWaalsContact CA-OH 3.31Å; I4-Y77 WeakPolarHBondContact CA-OH 3.13Å; I4-Y77 HydrophobicContact CB-CE1 3.96Å; I4-Y77 HydrophobicContact CG1-CE1 4.01Å; I4-Y77 HydrophobicContact CG2-CD1 4.21Å; I4-Y77 HydrophobicContact CG2-CE1 3.45Å; I4-Y77 VanDerWaalsContact CG2-CE1 3.45Å; K5-Y77 PolarHBondContact N-OH 2.88Å; F68-Y77 AromaticContact CE1-CD1 3.87Å; F68-Y77 HydrophobicContact CE1-CD1 3.87Å; F68-Y77 AromaticContact CE1-CG 3.79Å; F68-Y77 HydrophobicContact CE1-CG 3.79Å; F68-Y77 AromaticContact CZ-CD1 3.72Å; F68-Y77 HydrophobicContact CZ-CD1 3.72Å; F68-Y77 HydrophobicContact CZ-CE1 4.48Å; F68-Y77 HydrophobicContact CZ-CG 4.11Å; Q73-Y77 WeakPolarHBondContact O-CB 3.27Å; Q73-Y77 PolarHBondContact O-N 3.26Å; Q73-Y77 VanDerWaalsContact O-N 3.17Å; F75-Y77 PolarHBondContact O-N 2.89Å
78	C	88.5	Confident	84	Confident	7 Å²	7	60 Å²	60	5%	0.047	30%	0.295	C	S	.	.	H	α-helix	trans	-95.7	-34.4	-168.7	-66.9	0	0	0	0	113.6	F46 F68 C74 F75 P80 V81	F46-C78 HydrophobicContact CB-CB 3.59Å; F46-C78 VanDerWaalsContact CB-SG 3.54Å; F46-C78 HydrophobicContact CD1-CB 3.82Å; F46-C78 HydrophobicContact CD2-CB 3.51Å; F46-C78 HydrophobicContact CE1-CB 4.33Å; F46-C78 HydrophobicContact CE2-CB 4.07Å; F46-C78 HydrophobicContact CG-CB 3.36Å; F46-C78 HydrophobicContact CZ-CB 4.44Å; F68-C78 WeakPolarHBondContact CZ-SG 3.25Å; C74-C78 VanDerWaalsContact O-CB 3.28Å; C74-C78 WeakPolarHBondContact O-CB 3.48Å; C74-C78 PolarHBondContact O-N 2.84Å; F75-C78 PolarHBondContact O-N 3.13Å; C78-P80 VanDerWaalsContact C-N 3.31Å; C78-V81 WeakPolarHBondContact O-CB 3.48Å; C78-V81 WeakPolarHBondContact O-CG1 3.01Å; C78-V81 PolarHBondContact O-N 3.11Å; C78-V81 VanDerWaalsContact O-N 3.13Å
79	M	87.4	Confident	83.9	Confident	3 Å²	3	59.8 Å²	59.8	2%	0.015	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-58.9	-28.7	-177	-69.6	-61.7	-58.2	0	0	115.5	F46 F75 V81 V82 L96 G113 I115	F46-M79 HydrophobicContact CD2-SD 4.5Å; F46-M79 HydrophobicContact CE2-SD 3.69Å; F75-M79 HydrophobicContact CB-CG 4.29Å; F75-M79 HydrophobicContact CD1-CB 4.45Å; F75-M79 HydrophobicContact CD1-CG 3.98Å; F75-M79 HydrophobicContact CD2-CG 3.4Å; F75-M79 HydrophobicContact CD2-SD 4.12Å; F75-M79 HydrophobicContact CE1-CB 4.43Å; F75-M79 HydrophobicContact CE1-CG 4.12Å; F75-M79 HydrophobicContact CE2-CE 4.14Å; F75-M79 HydrophobicContact CE2-CG 3.56Å; F75-M79 HydrophobicContact CE2-SD 4.08Å; F75-M79 HydrophobicContact CG-CG 3.62Å; F75-M79 HydrophobicContact CZ-CB 4.49Å; F75-M79 HydrophobicContact CZ-CE 4.5Å; F75-M79 HydrophobicContact CZ-CG 3.92Å; F75-M79 WeakPolarHBondContact O-CB 3.28Å; F75-M79 WeakPolarHBondContact O-CG 3.28Å; F75-M79 PolarHBondContact O-N 3.16Å; M79-V81 PolarHBondContact O-N 3.01Å; M79-V82 HydrophobicContact CE-CG2 3.68Å; M79-V82 WeakPolarHBondContact O-CB 3.42Å; M79-V82 VanDerWaalsContact O-CG2 3.28Å; M79-V82 WeakPolarHBondContact O-CG2 3.18Å; M79-V82 PolarHBondContact O-N 3.36Å; M79-V82 HydrophobicContact SD-CG2 4.29Å; M79-L96 HydrophobicContact CB-CD1 3.77Å; M79-G113 WeakPolarHBondContact CE-O 3.29Å; M79-I115 HydrophobicContact CB-CD1 4.15Å; M79-I115 HydrophobicContact CB-CG2 4.18Å; M79-I115 HydrophobicContact CE-CG1 4.41Å; M79-I115 HydrophobicContact CE-CG2 4.28Å; M79-I115 WeakPolarHBondContact O-CD1 3.02Å
80	P	85	Confident	83.7	Confident	47 Å²	47	60 Å²	60	31%	0.305	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-57	-23.2	176.2	-24.4	34.6	0	0	0	113.6	D76 C78 V82 C83 A88 L96	D76-P80 WeakPolarHBondContact O-CD 3.2Å; D76-P80 WeakPolarHBondContact O-CG 3.4Å; C78-P80 VanDerWaalsContact C-N 3.31Å; P80-V82 PolarHBondContact O-N 2.94Å; P80-C83 PolarHBondContact O-N 3.49Å; P80-C83 VanDerWaalsContact O-N 3.16Å; P80-A88 HydrophobicContact CB-CB 4.34Å; P80-L96 HydrophobicContact CG-CD1 3.96Å; P80-L96 HydrophobicContact CG-CD2 4.17Å
81	V	83.5	Confident	83.3	Confident	64 Å²	64	60.7 Å²	60.7	39%	0.388	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-64.4	-21.6	175.8	84	0	0	0	0	113.2	F46 C78 M79 C83	F46-V81 HydrophobicContact CE1-CG1 3.78Å; F46-V81 HydrophobicContact CZ-CG1 3.89Å; C78-V81 WeakPolarHBondContact O-CB 3.48Å; C78-V81 WeakPolarHBondContact O-CG1 3.01Å; C78-V81 PolarHBondContact O-N 3.11Å; C78-V81 VanDerWaalsContact O-N 3.13Å; M79-V81 PolarHBondContact O-N 3.01Å; V81-C83 PolarHBondContact O-N 2.76Å
82	V	84.2	Confident	83	Confident	10 Å²	10	65.3 Å²	65.3	6%	0.061	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-62.4	-31.3	176.1	175.1	0	0	0	0	110.7	L51 M79 P80 N84 I112 I115	L51-V82 HydrophobicContact CB-CG2 4.02Å; L51-V82 HydrophobicContact CD1-CG1 4.35Å; L51-V82 HydrophobicContact CD1-CG2 4.16Å; L51-V82 HydrophobicContact CD2-CG2 4.13Å; L51-V82 HydrophobicContact CG-CG2 4.33Å; M79-V82 HydrophobicContact CE-CG2 3.68Å; M79-V82 WeakPolarHBondContact O-CB 3.42Å; M79-V82 VanDerWaalsContact O-CG2 3.28Å; M79-V82 WeakPolarHBondContact O-CG2 3.18Å; M79-V82 PolarHBondContact O-N 3.36Å; M79-V82 HydrophobicContact SD-CG2 4.29Å; P80-V82 PolarHBondContact O-N 2.94Å; V82-N84 PolarHBondContact O-N 2.96Å; V82-I112 HydrophobicContact CG1-CB 4.16Å; V82-I112 HydrophobicContact CG1-CG2 3.56Å; V82-I115 HydrophobicContact CB-CD1 4.4Å
83	C	82.8	Confident	82.5	Confident	6 Å²	6	65.5 Å²	65.5	4%	0.041	32%	0.323	C	S	.	.	S	Bend	trans	-79.2	108	172.8	-47.9	0	0	0	0	108.7	P80 V81 K85 E86 C117	P80-C83 PolarHBondContact O-N 3.49Å; P80-C83 VanDerWaalsContact O-N 3.16Å; V81-C83 PolarHBondContact O-N 2.76Å; C83-K85 PolarHBondContact O-N 2.91Å; C83-E86 HydrophobicContact CB-CB 4.06Å; C83-E86 VanDerWaalsContact CB-O 3.29Å; C83-E86 WeakPolarHBondContact CB-O 3.46Å; C83-C117 WeakPolarHBondContact CA-SG 3.23Å; C83-C117 HydrophobicContact CB-CB 3.75Å; C83-C117 WeakPolarHBondContact CB-SG 3.04Å; C83-C117 VanDerWaalsContact SG-CA 3.5Å; C83-C117 WeakPolarHBondContact SG-CB 3.12Å; C83-C117 CovalentContact SG-SG 2.04Å; C83-C117 PolarHBondContact SG-SG 3.38Å
84	N	68.3	Low	82.1	Confident	139 Å²	139	67.7 Å²	67.7	74%	0.743	34%	0.337	S	S	*	.	S	Bend	trans	-72.4	84.3	-173.5	-89.4	-36.6	0	0	0	112.1	V82 E86	V82-N84 PolarHBondContact O-N 2.96Å; N84-E86 PolarHBondContact O-N 2.84Å
85	K	57	Low	81.6	Confident	212 Å²	212	73.5 Å²	73.5	92%	0.922	36%	0.359	S	S	*	.	S	Bend	trans	75.2	-12.7	-172.8	-56.5	177.1	176.8	173.7	0	115.5	C83	C83-K85 PolarHBondContact O-N 2.91Å
86	E	62.2	Low	81.5	Confident	46 Å²	46	74 Å²	74	22%	0.215	36%	0.362	C	S	.	.	S	Bend	trans	-78	154.5	177.1	-77.8	173.1	174.7	0	0	112.4	C83 N84 Q118 F119 D120	C83-E86 HydrophobicContact CB-CB 4.06Å; C83-E86 VanDerWaalsContact CB-O 3.29Å; C83-E86 WeakPolarHBondContact CB-O 3.46Å; N84-E86 PolarHBondContact O-N 2.84Å; E86-Q118 WeakPolarHBondContact CB-O 3.26Å; E86-Q118 WeakPolarHBondContact CG-O 3.02Å; E86-F119 WeakPolarHBondContact OE1-CA 3.46Å; E86-D120 PolarHBondContact OE1-N 3.02Å
87	K	81.8	Confident	81.7	Confident	155 Å²	155	73.6 Å²	73.6	67%	0.674	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-79.8	133.3	177.3	-71.6	-179	179	177	0	110.7	Q118	K87-Q118 HydrophobicContact CB-CB 4.46Å; K87-Q118 WeakPolarHBondContact O-CB 3.2Å; K87-Q118 PolarHBondContact O-N 3.34Å
88	A	89.2	Confident	82	Confident	22 Å²	22	74.6 Å²	74.6	18%	0.182	36%	0.362	C	S	.	.	B	Isolated β-bridge	trans	-74.7	143.1	167.3	0	0	0	0	0	110.7	P80 L96 I115	P80-A88 HydrophobicContact CB-CB 4.34Å; A88-L96 HydrophobicContact CB-CD2 3.45Å; A88-L96 VanDerWaalsContact CB-CD2 3.45Å; A88-I115 HydrophobicContact CB-CD1 4.1Å
89	A	88.6	Confident	82.2	Confident	7 Å²	7	74.5 Å²	74.5	6%	0.058	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-72.4	137.7	176	0	0	0	0	0	111	I97 P106 C116	A89-I97 HydrophobicContact CB-CB 4.24Å; A89-I97 HydrophobicContact CB-CD1 3.94Å; A89-I97 HydrophobicContact CB-CG1 4.25Å; A89-I97 PolarHBondContact O-N 2.76Å; A89-P106 HydrophobicContact CB-CG 4.31Å; A89-C116 HydrophobicContact CB-CB 3.71Å; A89-C116 PolarHBondContact N-O 3.06Å
90	L	85.2	Confident	82.5	Confident	91 Å²	91	79.6 Å²	79.6	48%	0.476	40%	0.398	S	S	.	.	B	Isolated β-bridge	trans	-116.8	147.8	175.9	-58.2	176.9	0	0	0	110.8	R95 L96	L90-R95 CarbonylContact C-O 3.56Å; L90-R95 VanDerWaalsContact CA-O 3.25Å; L90-R95 WeakPolarHBondContact CA-O 3.34Å; L90-L96 HydrophobicContact CD2-CD2 3.81Å; L90-L96 HydrophobicContact CD2-CG 4.29Å
91	D	82.5	Confident	82.8	Confident	53 Å²	53	82.1 Å²	82.1	28%	0.283	41%	0.405	S	S	.	.			trans	-78.5	-176.2	169.4	78	0.4	0	0	0	111.7	N93 D94 R95 I97	D91-N93 PolarHBondContact O-N 2.88Å; D91-N93 VanDerWaalsContact O-N 3.14Å; D91-N93 VanDerWaalsContact OD1-C 3.32Å; D91-N93 VanDerWaalsContact OD1-CA 3.32Å; D91-N93 WeakPolarHBondContact OD1-CA 3.2Å; D91-N93 WeakPolarHBondContact OD1-CB 3.28Å; D91-N93 PolarHBondContact OD1-N 2.04Å; D91-D94 PolarHBondContact O-N 3.33Å; D91-D94 PolarHBondContact OD1-N 3.33Å; D91-R95 PolarHBondContact N-O 3.3Å; D91-R95 PolarHBondContact OD1-N 2.83Å; D91-I97 HydrophobicContact CB-CG1 4.25Å
92	F	85.7	Confident	83	Confident	183 Å²	183	82.2 Å²	82.2	80%	0.803	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-5.4	179.8	60.8	-88.9	0	0	0	114.5
93	N	79.9	Confident	83.1	Confident	89 Å²	89	87.4 Å²	87.4	48%	0.476	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	19	176.5	-52.4	-62.5	0	0	0	112.2	D91 R95	D91-N93 PolarHBondContact O-N 2.88Å; D91-N93 VanDerWaalsContact O-N 3.14Å; D91-N93 VanDerWaalsContact OD1-C 3.32Å; D91-N93 VanDerWaalsContact OD1-CA 3.32Å; D91-N93 WeakPolarHBondContact OD1-CA 3.2Å; D91-N93 WeakPolarHBondContact OD1-CB 3.28Å; D91-N93 PolarHBondContact OD1-N 2.04Å; N93-R95 HydrophobicContact CB-CG 4.39Å; N93-R95 PolarHBondContact O-N 2.93Å
94	D	80.8	Confident	83.5	Confident	133 Å²	133	91.5 Å²	91.5	71%	0.711	45%	0.452	S	S	*	.	S	Bend	trans	60.2	26.9	-177.4	-58.6	-49.7	0	0	0	114.2	D91	D91-D94 PolarHBondContact O-N 3.33Å; D91-D94 PolarHBondContact OD1-N 3.33Å
95	R	81	Confident	84.4	Confident	122 Å²	122	85.6 Å²	85.6	46%	0.46	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-98.8	148.7	174.9	-60	-176.9	178.7	-153.8	-8.6	111.3	E72 L90 D91 N93 I97	E72-R95 IonicContact OE1-CZ 3.54Å; E72-R95 IonicContact OE1-NH1 2.77Å; E72-R95 PolarHBondContact OE1-NH1 3.36Å; L90-R95 CarbonylContact C-O 3.56Å; L90-R95 VanDerWaalsContact CA-O 3.25Å; L90-R95 WeakPolarHBondContact CA-O 3.34Å; D91-R95 PolarHBondContact N-O 3.3Å; D91-R95 PolarHBondContact OD1-N 2.83Å; N93-R95 HydrophobicContact CB-CG 4.39Å; N93-R95 PolarHBondContact O-N 2.93Å; R95-I97 PolarHBondContact O-N 2.55Å
96	L	87.3	Confident	85.8	Confident	14 Å²	14	78 Å²	78	7%	0.073	39%	0.394	C	S	.	.	B	Isolated β-bridge	trans	-62	129.2	177.4	-72.1	173	0	0	0	111.6	F75 M79 P80 A88 L90 R98 I115	F75-L96 HydrophobicContact CD1-CD1 4.14Å; F75-L96 HydrophobicContact CE1-CB 4.07Å; F75-L96 HydrophobicContact CE1-CD1 4.06Å; M79-L96 HydrophobicContact CB-CD1 3.77Å; P80-L96 HydrophobicContact CG-CD1 3.96Å; P80-L96 HydrophobicContact CG-CD2 4.17Å; A88-L96 HydrophobicContact CB-CD2 3.45Å; A88-L96 VanDerWaalsContact CB-CD2 3.45Å; L90-L96 HydrophobicContact CD2-CD2 3.81Å; L90-L96 HydrophobicContact CD2-CG 4.29Å; L96-R98 PolarHBondContact O-N 3.5Å; L96-I115 HydrophobicContact CB-CG2 4.31Å; L96-I115 HydrophobicContact CD1-CG2 4.29Å
97	I	89.6	Confident	86.5	Confident	44 Å²	44	83.6 Å²	83.6	23%	0.226	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-72.9	118.5	170	-57.7	-178.5	0	0	0	108.1	A89 D91 R95 P106 I115 C116	A89-I97 HydrophobicContact CB-CB 4.24Å; A89-I97 HydrophobicContact CB-CD1 3.94Å; A89-I97 HydrophobicContact CB-CG1 4.25Å; A89-I97 PolarHBondContact O-N 2.76Å; D91-I97 HydrophobicContact CB-CG1 4.25Å; R95-I97 PolarHBondContact O-N 2.55Å; I97-P106 HydrophobicContact CD1-CG 4.21Å; I97-I115 WeakPolarHBondContact O-CA 3.25Å; I97-C116 HydrophobicContact CB-CB 4.48Å; I97-C116 PolarHBondContact O-N 3.09Å; I97-C116 VanDerWaalsContact O-N 3.16Å
98	R	91.9	Very high	86.3	Confident	119 Å²	119	77.7 Å²	77.7	45%	0.449	40%	0.396	S	S	.	.	B	Isolated β-bridge	trans	-85.1	149.8	175.9	-61.1	-177.2	178.5	-146.2	-2.4	110.4	F75 L96 S114	F75-R98 HydrophobicContact CE1-CG 3.91Å; F75-R98 HydrophobicContact CZ-CG 3.9Å; L96-R98 PolarHBondContact O-N 3.5Å; R98-S114 VanDerWaalsContact CA-O 3.3Å; R98-S114 WeakPolarHBondContact CA-O 3.2Å
99	C	92.8	Very high	86.2	Confident	6 Å²	6	77.7 Å²	77.7	4%	0.041	39%	0.392	C	S	.	.			trans	-145.7	152.1	177.4	61	0	0	0	0	111.4	E104 C105 C111 S114 I115	C99-E104 VanDerWaalsContact CA-OE2 3.23Å; C99-E104 WeakPolarHBondContact CA-OE2 3.34Å; C99-E104 HydrophobicContact CB-CB 4.24Å; C99-C105 VanDerWaalsContact CB-SG 3.58Å; C99-C111 HydrophobicContact CB-CB 3.78Å; C99-C111 WeakPolarHBondContact CB-SG 2.95Å; C99-C111 PolarHBondContact O-SG 3.13Å; C99-C111 VanDerWaalsContact O-SG 3.37Å; C99-C111 WeakPolarHBondContact SG-CA 3.35Å; C99-C111 WeakPolarHBondContact SG-CB 3.03Å; C99-C111 CovalentContact SG-SG 2.03Å; C99-C111 PolarHBondContact SG-SG 2.04Å; C99-S114 PolarHBondContact N-O 2.9Å; C99-S114 CarbonylContact O-C 3.53Å; C99-S114 WeakPolarHBondContact O-CA 3.38Å; C99-S114 WeakPolarHBondContact O-CB 3.47Å; C99-S114 VanDerWaalsContact SG-C 3.56Å; C99-I115 PolarHBondContact SG-O 3.16Å
100	S	93.8	Very high	86	Confident	109 Å²	109	80.6 Å²	80.6	76%	0.762	41%	0.407	S	S	*	.	S	Bend	trans	-105.5	-26.6	163.4	-52.4	0	0	0	0	111.5	E104	S100-E104 PolarHBondContact N-OE2 3.32Å
101	Q	91.4	Very high	86.3	Confident	101 Å²	101	77.8 Å²	77.8	47%	0.472	39%	0.394	S	S	.	.	S	Bend	trans	-143.9	154.4	-176.9	45.1	-178.5	56.3	0	0	110.3	D103 E104	Q101-D103 VanDerWaalsContact C-N 3.28Å; Q101-D103 VanDerWaalsContact CB-OD1 3.24Å; Q101-D103 WeakPolarHBondContact CB-OD1 3.4Å; Q101-D103 WeakPolarHBondContact CG-OD1 3.5Å; Q101-D103 PolarHBondContact NE2-OD1 3.37Å; Q101-D103 PolarHBondContact NE2-OD2 3.2Å; Q101-D103 PolarHBondContact O-N 3.3Å; Q101-E104 HydrophobicContact CG-CG 4.01Å; Q101-E104 WeakPolarHBondContact CG-OE1 2.99Å; Q101-E104 WeakPolarHBondContact O-CB 3.38Å; Q101-E104 PolarHBondContact O-N 3.44Å
102	T	86.6	Confident	86.6	Confident	66 Å²	66	78.6 Å²	78.6	41%	0.405	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-64.3	-26.7	-172.1	-68.8	0	0	0	0	114.1	E104 C105 N110 C111	T102-E104 PolarHBondContact O-N 2.03Å; T102-C105 VanDerWaalsContact O-CB 3.26Å; T102-C105 WeakPolarHBondContact O-CB 3.49Å; T102-C105 PolarHBondContact O-N 2.99Å; T102-N110 VanDerWaalsContact CG2-OD1 3.27Å; T102-N110 WeakPolarHBondContact CG2-OD1 3.3Å; T102-C111 PolarHBondContact OG1-N 2.87Å
103	D	86.9	Confident	86.6	Confident	118 Å²	118	71.6 Å²	71.6	63%	0.631	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-71.3	-15.2	177.7	60.8	-46.8	0	0	0	114	Q101	Q101-D103 VanDerWaalsContact C-N 3.28Å; Q101-D103 VanDerWaalsContact CB-OD1 3.24Å; Q101-D103 WeakPolarHBondContact CB-OD1 3.4Å; Q101-D103 WeakPolarHBondContact CG-OD1 3.5Å; Q101-D103 PolarHBondContact NE2-OD1 3.37Å; Q101-D103 PolarHBondContact NE2-OD2 3.2Å; Q101-D103 PolarHBondContact O-N 3.3Å
104	E	90.8	Very high	87.1	Confident	93 Å²	93	70.4 Å²	70.4	44%	0.435	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-76.5	-13.1	168.4	-66	169.1	-166.8	0	0	112.1	C99 S100 Q101 T102	C99-E104 VanDerWaalsContact CA-OE2 3.23Å; C99-E104 WeakPolarHBondContact CA-OE2 3.34Å; C99-E104 HydrophobicContact CB-CB 4.24Å; S100-E104 PolarHBondContact N-OE2 3.32Å; Q101-E104 HydrophobicContact CG-CG 4.01Å; Q101-E104 WeakPolarHBondContact CG-OE1 2.99Å; Q101-E104 WeakPolarHBondContact O-CB 3.38Å; Q101-E104 PolarHBondContact O-N 3.44Å; T102-E104 PolarHBondContact O-N 2.03Å
105	C	87.4	Confident	87.6	Confident	15 Å²	15	64.1 Å²	64.1	10%	0.101	34%	0.342	C	S	.	.	S	Bend	trans	-90.5	156.1	-179.1	-65.3	0	0	0	0	112.9	C99 T102 H109 C116	C99-C105 VanDerWaalsContact CB-SG 3.58Å; T102-C105 VanDerWaalsContact O-CB 3.26Å; T102-C105 WeakPolarHBondContact O-CB 3.49Å; T102-C105 PolarHBondContact O-N 2.99Å; C105-H109 HydrophobicContact CB-CB 3.95Å; C105-C116 WeakPolarHBondContact CA-SG 3.32Å; C105-C116 HydrophobicContact CB-CB 3.7Å; C105-C116 WeakPolarHBondContact CB-SG 3.38Å; C105-C116 WeakPolarHBondContact SG-CA 3.5Å; C105-C116 WeakPolarHBondContact SG-CB 3.16Å; C105-C116 CovalentContact SG-SG 2.04Å; C105-C116 PolarHBondContact SG-SG 2.84Å
106	P	85.6	Confident	88.1	Confident	53 Å²	53	58.3 Å²	58.3	34%	0.344	32%	0.32	S	S	.	.			trans	-55.7	152.4	168.1	-21.5	32.3	0	0	0	111.3	A89 I97 S108 H109	A89-P106 HydrophobicContact CB-CG 4.31Å; I97-P106 HydrophobicContact CD1-CG 4.21Å; P106-S108 PolarHBondContact O-N 2.89Å; P106-H109 WeakPolarHBondContact O-CB 3.41Å; P106-H109 PolarHBondContact O-N 3.44Å
107	K	77.9	Confident	88.2	Confident	163 Å²	163	57.7 Å²	57.7	71%	0.709	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-26.1	-171.3	-70.8	-179.4	178.2	162.3	0	116.1	D131	K107-D131 IonicContact NZ-OD1 2.6Å; K107-D131 PolarHBondContact NZ-OD1 2.97Å
108	S	77.8	Confident	88	Confident	30 Å²	30	58.4 Å²	58.4	21%	0.21	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	21.9	-179.9	67.9	0	0	0	0	113.6	P106 Q118 F119	P106-S108 PolarHBondContact O-N 2.89Å; S108-Q118 WeakPolarHBondContact O-CA 3.38Å; S108-F119 VanDerWaalsContact CA-CZ 3.42Å; S108-F119 WeakPolarHBondContact O-CE1 3.48Å; S108-F119 PolarHBondContact O-N 3.49Å
109	H	85.9	Confident	87.3	Confident	23 Å²	23	55.3 Å²	55.3	11%	0.106	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	147.8	-175.6	-63.6	65.6	0	0	0	111.5	C105 P106 C116 C117 Q118 F119	C105-H109 HydrophobicContact CB-CB 3.95Å; P106-H109 WeakPolarHBondContact O-CB 3.41Å; P106-H109 PolarHBondContact O-N 3.44Å; H109-C116 HydrophobicContact CB-CB 4.04Å; H109-C117 CarbonylContact C-O 3.53Å; H109-C117 WeakPolarHBondContact CA-O 3.47Å; H109-C117 WeakPolarHBondContact CB-O 2.95Å; H109-C117 VanDerWaalsContact CD2-C 3.45Å; H109-Q118 WeakPolarHBondContact CD2-CA 3.31Å; H109-Q118 PolarHBondContact CD2-N 2.89Å; H109-F119 VanDerWaalsContact C-CE1 3.5Å
110	N	86.3	Confident	85.8	Confident	68 Å²	68	59.9 Å²	59.9	36%	0.364	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	152.3	172.1	-75	-35.3	0	0	0	110.5	T102 I112 C116 C117 F119	T102-N110 VanDerWaalsContact CG2-OD1 3.27Å; T102-N110 WeakPolarHBondContact CG2-OD1 3.3Å; N110-I112 PolarHBondContact O-N 3Å; N110-C116 WeakPolarHBondContact O-CA 3.42Å; N110-C117 PolarHBondContact N-O 2.79Å; N110-C117 PolarHBondContact O-N 3.18Å; N110-F119 HydrophobicContact CB-CD1 4.24Å; N110-F119 VanDerWaalsContact ND2-CD1 3.32Å; N110-F119 WeakPolarHBondContact ND2-CD1 3.22Å
111	C	91.2	Very high	83.7	Confident	32 Å²	32	57.2 Å²	57.2	22%	0.216	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	111.9	176	-171	0	0	0	0	111	C99 T102	C99-C111 HydrophobicContact CB-CB 3.78Å; C99-C111 WeakPolarHBondContact CB-SG 2.95Å; C99-C111 PolarHBondContact O-SG 3.13Å; C99-C111 VanDerWaalsContact O-SG 3.37Å; C99-C111 WeakPolarHBondContact SG-CA 3.35Å; C99-C111 WeakPolarHBondContact SG-CB 3.03Å; C99-C111 CovalentContact SG-SG 2.03Å; C99-C111 PolarHBondContact SG-SG 2.04Å; T102-C111 PolarHBondContact OG1-N 2.87Å
112	I	88	Confident	81.6	Confident	70 Å²	70	60 Å²	60	36%	0.359	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	126	179.8	-49.4	-177.7	0	0	0	109.1	V82 N110 S114 I115 C117	V82-I112 HydrophobicContact CG1-CB 4.16Å; V82-I112 HydrophobicContact CG1-CG2 3.56Å; N110-I112 PolarHBondContact O-N 3Å; I112-S114 PolarHBondContact O-N 3.05Å; I112-I115 PolarHBondContact N-O 2.82Å; I112-I115 WeakPolarHBondContact O-CG1 2.99Å; I112-I115 PolarHBondContact O-N 3.39Å; I112-I115 VanDerWaalsContact O-O 3.04Å; I112-C117 HydrophobicContact CB-CB 4.45Å; I112-C117 HydrophobicContact CD1-CB 3.88Å; I112-C117 HydrophobicContact CG1-CB 4.21Å
113	G	85.1	Confident	79.6	Confident	35 Å²	35	61.9 Å²	61.9	36%	0.361	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.6	22.6	178.8	0	0	0	0	0	114.5	M79	M79-G113 WeakPolarHBondContact CE-O 3.29Å
114	S	90.1	Very high	77.9	Confident	65 Å²	65	62 Å²	62	46%	0.455	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	14.7	-174.9	-20.2	0	0	0	0	116.3	R98 C99 I112	R98-S114 VanDerWaalsContact CA-O 3.3Å; R98-S114 WeakPolarHBondContact CA-O 3.2Å; C99-S114 PolarHBondContact N-O 2.9Å; C99-S114 CarbonylContact O-C 3.53Å; C99-S114 WeakPolarHBondContact O-CA 3.38Å; C99-S114 WeakPolarHBondContact O-CB 3.47Å; C99-S114 VanDerWaalsContact SG-C 3.56Å; I112-S114 PolarHBondContact O-N 3.05Å
115	I	92.1	Very high	75.9	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	156.5	168.3	60.2	161.9	0	0	0	111.1	F75 M79 V82 A88 L96 I97 C99 I112 C117	F75-I115 HydrophobicContact CE1-CG2 3.6Å; F75-I115 HydrophobicContact CE2-CG2 4.38Å; F75-I115 HydrophobicContact CZ-CG2 3.33Å; M79-I115 HydrophobicContact CB-CD1 4.15Å; M79-I115 HydrophobicContact CB-CG2 4.18Å; M79-I115 HydrophobicContact CE-CG1 4.41Å; M79-I115 HydrophobicContact CE-CG2 4.28Å; M79-I115 WeakPolarHBondContact O-CD1 3.02Å; V82-I115 HydrophobicContact CB-CD1 4.4Å; A88-I115 HydrophobicContact CB-CD1 4.1Å; L96-I115 HydrophobicContact CB-CG2 4.31Å; L96-I115 HydrophobicContact CD1-CG2 4.29Å; I97-I115 WeakPolarHBondContact O-CA 3.25Å; C99-I115 PolarHBondContact SG-O 3.16Å; I112-I115 PolarHBondContact N-O 2.82Å; I112-I115 WeakPolarHBondContact O-CG1 2.99Å; I112-I115 PolarHBondContact O-N 3.39Å; I112-I115 VanDerWaalsContact O-O 3.04Å; I115-C117 PolarHBondContact O-N 3.28Å
116	C	91.1	Very high	74	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.007	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	113.5	175.5	-61.6	0	0	0	0	110.4	A89 I97 C105 H109 N110	A89-C116 HydrophobicContact CB-CB 3.71Å; A89-C116 PolarHBondContact N-O 3.06Å; I97-C116 HydrophobicContact CB-CB 4.48Å; I97-C116 PolarHBondContact O-N 3.09Å; I97-C116 VanDerWaalsContact O-N 3.16Å; C105-C116 WeakPolarHBondContact CA-SG 3.32Å; C105-C116 HydrophobicContact CB-CB 3.7Å; C105-C116 WeakPolarHBondContact CB-SG 3.38Å; C105-C116 WeakPolarHBondContact SG-CA 3.5Å; C105-C116 WeakPolarHBondContact SG-CB 3.16Å; C105-C116 CovalentContact SG-SG 2.04Å; C105-C116 PolarHBondContact SG-SG 2.84Å; H109-C116 HydrophobicContact CB-CB 4.04Å; N110-C116 WeakPolarHBondContact O-CA 3.42Å
117	C	90.6	Very high	72.5	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	131	175.5	-66.6	0	0	0	0	110	C83 H109 N110 I112 I115 F119	C83-C117 WeakPolarHBondContact CA-SG 3.23Å; C83-C117 HydrophobicContact CB-CB 3.75Å; C83-C117 WeakPolarHBondContact CB-SG 3.04Å; C83-C117 VanDerWaalsContact SG-CA 3.5Å; C83-C117 WeakPolarHBondContact SG-CB 3.12Å; C83-C117 CovalentContact SG-SG 2.04Å; C83-C117 PolarHBondContact SG-SG 3.38Å; H109-C117 CarbonylContact C-O 3.53Å; H109-C117 WeakPolarHBondContact CA-O 3.47Å; H109-C117 WeakPolarHBondContact CB-O 2.95Å; H109-C117 VanDerWaalsContact CD2-C 3.45Å; N110-C117 PolarHBondContact N-O 2.79Å; N110-C117 PolarHBondContact O-N 3.18Å; I112-C117 HydrophobicContact CB-CB 4.45Å; I112-C117 HydrophobicContact CD1-CB 3.88Å; I112-C117 HydrophobicContact CG1-CB 4.21Å; I115-C117 PolarHBondContact O-N 3.28Å; C117-F119 PolarHBondContact O-N 2.9Å
118	Q	85.9	Confident	71.7	Confident	60 Å²	60	57.8 Å²	57.8	28%	0.28	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	120.2	173.8	179.5	176.8	6.2	0	0	108	E86 K87 S108 H109	E86-Q118 WeakPolarHBondContact CB-O 3.26Å; E86-Q118 WeakPolarHBondContact CG-O 3.02Å; K87-Q118 HydrophobicContact CB-CB 4.46Å; K87-Q118 WeakPolarHBondContact O-CB 3.2Å; K87-Q118 PolarHBondContact O-N 3.34Å; S108-Q118 WeakPolarHBondContact O-CA 3.38Å; H109-Q118 WeakPolarHBondContact CD2-CA 3.31Å; H109-Q118 PolarHBondContact CD2-N 2.89Å
119	F	76.8	Confident	71.1	Confident	53 Å²	53	56.5 Å²	56.5	23%	0.232	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-75.5	141.7	170.6	41.8	-95.3	0	0	0	110	E86 S108 H109 N110 C117 D121	E86-F119 WeakPolarHBondContact OE1-CA 3.46Å; S108-F119 VanDerWaalsContact CA-CZ 3.42Å; S108-F119 WeakPolarHBondContact O-CE1 3.48Å; S108-F119 PolarHBondContact O-N 3.49Å; H109-F119 VanDerWaalsContact C-CE1 3.5Å; N110-F119 HydrophobicContact CB-CD1 4.24Å; N110-F119 VanDerWaalsContact ND2-CD1 3.32Å; N110-F119 WeakPolarHBondContact ND2-CD1 3.22Å; C117-F119 PolarHBondContact O-N 2.9Å; F119-D121 PolarHBondContact O-N 2.91Å
120	D	60.1	Low	70	Confident	103 Å²	103	57.9 Å²	57.9	55%	0.551	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-62.4	117.3	171.3	-82.1	-28.7	0	0	0	109.2	E86 D122	E86-D120 PolarHBondContact OE1-N 3.02Å; D120-D122 PolarHBondContact O-N 3.21Å
121	D	50.3	Low	68.8	Low	52 Å²	52	57.5 Å²	57.5	28%	0.278	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	53.7	171.3	-68.3	-44.2	0	0	0	111.5	F119 Q124 L127	F119-D121 PolarHBondContact O-N 2.91Å; D121-Q124 PolarHBondContact O-N 3.35Å; D121-Q124 VanDerWaalsContact O-N 3.09Å; D121-L127 WeakPolarHBondContact OD1-CD1 3.07Å; D121-L127 VanDerWaalsContact OD2-CD1 3.25Å; D121-L127 WeakPolarHBondContact OD2-CD1 2.96Å
122	D	47.4	Very low	67.3	Low	159 Å²	159	61.2 Å²	61.2	85%	0.85	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-15.1	152.7	-96	-22.9	0	0	0	110.3	D120 Q124	D120-D122 PolarHBondContact O-N 3.21Å; D122-Q124 PolarHBondContact O-N 3.26Å
123	D	45.2	Very low	66.5	Low	107 Å²	107	58.3 Å²	58.3	57%	0.572	33%	0.326	S	S	*	.			trans	-83.5	58.7	151.2	-81.9	-21.2	0	0	0	110.8	F125 S126	D123-F125 PolarHBondContact O-N 2.93Å; D123-S126 PolarHBondContact O-N 3.29Å
124	Q	51	Low	66.2	Low	119 Å²	119	58 Å²	58	56%	0.556	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.1	-16.4	161.3	-121.5	-177.5	35.6	0	0	111.8	D121 D122 L128	D121-Q124 PolarHBondContact O-N 3.35Å; D121-Q124 VanDerWaalsContact O-N 3.09Å; D122-Q124 PolarHBondContact O-N 3.26Å; Q124-L128 WeakPolarHBondContact O-CD1 3.32Å; Q124-L128 VanDerWaalsContact O-CG 3.22Å; Q124-L128 WeakPolarHBondContact O-CG 3.29Å
125	F	48.1	Very low	65.7	Low	58 Å²	58	59 Å²	59	25%	0.254	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-33	179.2	-82.6	-109.8	0	0	0	114.8	D123 L144 A160 I168	D123-F125 PolarHBondContact O-N 2.93Å; F125-L144 HydrophobicContact CD1-CD2 3.63Å; F125-L144 HydrophobicContact CE1-CD2 3.17Å; F125-L144 HydrophobicContact CZ-CD2 4.06Å; F125-A160 HydrophobicContact CE2-CB 4.26Å; F125-A160 HydrophobicContact CZ-CB 4.27Å; F125-I168 VanDerWaalsContact C-CD1 3.41Å; F125-I168 HydrophobicContact CB-CD1 3.28Å; F125-I168 HydrophobicContact CB-CG1 4.33Å; F125-I168 HydrophobicContact CD1-CB 4.43Å; F125-I168 HydrophobicContact CD1-CD1 2.94Å; F125-I168 HydrophobicContact CD1-CG1 3.02Å; F125-I168 HydrophobicContact CD2-CD1 4.33Å; F125-I168 HydrophobicContact CE1-CD1 3.58Å; F125-I168 HydrophobicContact CE1-CG1 3.17Å; F125-I168 HydrophobicContact CG-CD1 3.29Å; F125-I168 HydrophobicContact CG-CG1 3.9Å; F125-I168 HydrophobicContact CZ-CG1 4.28Å; F125-I168 WeakPolarHBondContact O-CD1 3.27Å
126	S	47.6	Very low	65	Low	55 Å²	55	63.9 Å²	63.9	39%	0.385	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-19.7	-174.2	-65.5	0	0	0	0	114.1	D123	D123-S126 PolarHBondContact O-N 3.29Å
127	L	53.6	Low	64.3	Low	94 Å²	94	67 Å²	67	49%	0.492	36%	0.355	S	S	.	.	S	Bend	trans	-101.4	-4.6	179.6	-100.7	135.2	0	0	0	115.3	D121 C129	D121-L127 WeakPolarHBondContact OD1-CD1 3.07Å; D121-L127 VanDerWaalsContact OD2-CD1 3.25Å; D121-L127 WeakPolarHBondContact OD2-CD1 2.96Å; L127-C129 VanDerWaalsContact C-N 3.29Å; L127-C129 PolarHBondContact O-N 3.25Å
128	L	61.5	Low	63.8	Low	29 Å²	29	73.2 Å²	73.2	15%	0.152	40%	0.398	C	S	.	.	S	Bend	trans	-66.9	-35.3	175.4	-85.1	160.2	0	0	0	111.9	Q124 Q158 L159 A160 I168	Q124-L128 WeakPolarHBondContact O-CD1 3.32Å; Q124-L128 VanDerWaalsContact O-CG 3.22Å; Q124-L128 WeakPolarHBondContact O-CG 3.29Å; L128-Q158 HydrophobicContact CB-CB 4.23Å; L128-Q158 HydrophobicContact CB-CG 3.86Å; L128-Q158 HydrophobicContact CD2-CG 3.61Å; L128-Q158 HydrophobicContact CG-CG 4.35Å; L128-Q158 VanDerWaalsContact O-CG 3.23Å; L128-Q158 WeakPolarHBondContact O-CG 3.49Å; L128-Q158 PolarHBondContact O-NE2 3.38Å; L128-L159 WeakPolarHBondContact CD2-O 3.34Å; L128-A160 HydrophobicContact CD1-CB 3.36Å; L128-A160 HydrophobicContact CD2-CB 4.44Å; L128-I168 HydrophobicContact CB-CD1 4.1Å; L128-I168 HydrophobicContact CD1-CD1 3.67Å; L128-I168 HydrophobicContact CD1-CG1 4.31Å
129	C	64.9	Low	63.2	Low	4 Å²	4	76.7 Å²	76.7	3%	0.027	42%	0.419	C	S	.	.	S	Bend	trans	-90.5	130.7	-178.2	-59.9	0	0	0	0	111.6	L127 D131 S133 V134 C170	L127-C129 VanDerWaalsContact C-N 3.29Å; L127-C129 PolarHBondContact O-N 3.25Å; C129-D131 PolarHBondContact O-N 3.38Å; C129-S133 WeakPolarHBondContact CB-OG 3.48Å; C129-V134 HydrophobicContact CB-CG2 3.73Å; C129-C170 WeakPolarHBondContact CA-SG 3.36Å; C129-C170 HydrophobicContact CB-CB 3.57Å; C129-C170 WeakPolarHBondContact CB-SG 3.44Å; C129-C170 WeakPolarHBondContact SG-CA 3.37Å; C129-C170 WeakPolarHBondContact SG-CB 2.86Å; C129-C170 CovalentContact SG-SG 2.01Å; C129-C170 PolarHBondContact SG-SG 3.17Å
130	P	62.7	Low	62.9	Low	52 Å²	52	76.1 Å²	76.1	34%	0.338	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-55.3	128.3	177.1	-20.1	29.1	0	0	0	111.1	T132 S133	P130-T132 PolarHBondContact O-N 2.82Å; P130-S133 VanDerWaalsContact O-CB 3.27Å; P130-S133 WeakPolarHBondContact O-CB 2.9Å; P130-S133 PolarHBondContact O-N 3.01Å; P130-S133 PolarHBondContact O-OG 3.25Å; P130-S133 VanDerWaalsContact O-OG 3.12Å
131	D	60.8	Low	63.6	Low	59 Å²	59	75.7 Å²	75.7	32%	0.316	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	51.6	50.9	173.2	-58.9	-39.7	0	0	0	114.2	K107 C129 S133 K173	K107-D131 IonicContact NZ-OD1 2.6Å; K107-D131 PolarHBondContact NZ-OD1 2.97Å; C129-D131 PolarHBondContact O-N 3.38Å; D131-S133 PolarHBondContact O-N 2.82Å; D131-S133 VanDerWaalsContact O-N 3.15Å; D131-K173 HydrophobicContact CB-CD 3.41Å; D131-K173 VanDerWaalsContact CB-CD 3.41Å; D131-K173 HydrophobicContact CB-CG 3.84Å; D131-K173 VanDerWaalsContact CB-NZ 3.28Å; D131-K173 WeakPolarHBondContact O-CE 3.31Å; D131-K173 PolarHBondContact O-NZ 3.15Å
132	T	61.1	Low	64.9	Low	110 Å²	110	75.3 Å²	75.3	68%	0.675	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	58.3	30.2	175.5	73.3	0	0	0	0	114.2	P130 V134	P130-T132 PolarHBondContact O-N 2.82Å; T132-V134 PolarHBondContact O-N 3.22Å
133	S	70.1	Confident	66.6	Low	9 Å²	9	71 Å²	71	6%	0.063	40%	0.402	C	S	.	.			trans	-80.9	11.5	-179.4	74.1	0	0	0	0	114.5	C129 P130 D131 K135 S171	C129-S133 WeakPolarHBondContact CB-OG 3.48Å; P130-S133 VanDerWaalsContact O-CB 3.27Å; P130-S133 WeakPolarHBondContact O-CB 2.9Å; P130-S133 PolarHBondContact O-N 3.01Å; P130-S133 PolarHBondContact O-OG 3.25Å; P130-S133 VanDerWaalsContact O-OG 3.12Å; D131-S133 PolarHBondContact O-N 2.82Å; D131-S133 VanDerWaalsContact O-N 3.15Å; S133-K135 PolarHBondContact O-N 3.06Å; S133-S171 WeakPolarHBondContact CB-O 2.94Å; S133-S171 WeakPolarHBondContact O-CA 3.27Å; S133-S171 WeakPolarHBondContact O-CB 3.37Å; S133-S171 PolarHBondContact O-N 2.65Å; S133-S171 PolarHBondContact O-OG 3.21Å; S133-S171 PolarHBondContact OG-O 2.62Å
134	V	78.5	Confident	68.5	Low	29 Å²	29	71.3 Å²	71.3	18%	0.176	40%	0.403	C	S	.	.	B	Isolated β-bridge	trans	-49.5	128.1	178.8	175.3	0	0	0	0	110.5	C129 T132 I136 P142 I168	C129-V134 HydrophobicContact CB-CG2 3.73Å; T132-V134 PolarHBondContact O-N 3.22Å; V134-I136 HydrophobicContact CG1-CG2 4.29Å; V134-P142 HydrophobicContact CG1-CB 3.79Å; V134-P142 HydrophobicContact CG1-CG 4.22Å; V134-I168 HydrophobicContact CG1-CG2 4.01Å
135	K	79.6	Confident	70	Confident	87 Å²	87	65.7 Å²	65.7	38%	0.378	38%	0.377	S	S	.	.			trans	-77.3	132.3	166.2	-76.3	-66.4	-167.6	-171.5	0	108.5	S133 P142 I143 A155 C169 S171	S133-K135 PolarHBondContact O-N 3.06Å; K135-P142 WeakPolarHBondContact O-CA 3.24Å; K135-I143 HydrophobicContact CB-CB 4.27Å; K135-I143 HydrophobicContact CB-CD1 3.94Å; K135-I143 HydrophobicContact CB-CG1 4.18Å; K135-I143 PolarHBondContact O-N 2.6Å; K135-A155 HydrophobicContact CG-CB 4.03Å; K135-C169 HydrophobicContact CB-CB 3.95Å; K135-C169 WeakPolarHBondContact CB-O 3.17Å; K135-C169 HydrophobicContact CG-CB 4.26Å; K135-C169 PolarHBondContact N-O 2.72Å; K135-S171 WeakPolarHBondContact CD-OG 3.17Å; K135-S171 WeakPolarHBondContact CE-OG 3.48Å; K135-S171 WeakPolarHBondContact CG-OG 3.47Å
136	I	79.1	Confident	71.6	Confident	102 Å²	102	65.1 Å²	65.1	52%	0.523	38%	0.377	S	S	.	.	B	Isolated β-bridge	trans	-112.8	150.9	175.2	53.1	174.4	0	0	0	110.5	V134 G140 D141	V134-I136 HydrophobicContact CG1-CG2 4.29Å; I136-G140 WeakPolarHBondContact CG2-O 3.3Å; I136-D141 CarbonylContact C-O 3.53Å; I136-D141 WeakPolarHBondContact CA-O 3.35Å
137	D	76.5	Confident	72.8	Confident	67 Å²	67	64.2 Å²	64.2	36%	0.358	37%	0.369	S	S	.	.			trans	-82.9	-173.6	174.6	75.6	6.4	0	0	0	112.2	N139 G140 D141 I143	D137-N139 PolarHBondContact O-N 3.42Å; D137-N139 WeakPolarHBondContact OD1-CA 2.96Å; D137-N139 WeakPolarHBondContact OD1-CB 3.23Å; D137-N139 PolarHBondContact OD1-N 2.88Å; D137-G140 PolarHBondContact O-N 3.46Å; D137-G140 VanDerWaalsContact O-N 3.14Å; D137-G140 PolarHBondContact OD1-N 3.44Å; D137-G140 VanDerWaalsContact OD1-N 3.09Å; D137-D141 PolarHBondContact N-O 2.74Å; D137-D141 PolarHBondContact OD1-N 3.02Å; D137-I143 HydrophobicContact CB-CG1 4.2Å
138	S	79.7	Confident	73.9	Confident	129 Å²	129	64.1 Å²	64.1	90%	0.902	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-19.7	-179.9	-50.4	0	0	0	0	114.3
139	N	73.3	Confident	74.8	Confident	133 Å²	133	68 Å²	68	71%	0.711	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-8.6	179.8	-59.4	-28.8	0	0	0	111.9	D137	D137-N139 PolarHBondContact O-N 3.42Å; D137-N139 WeakPolarHBondContact OD1-CA 2.96Å; D137-N139 WeakPolarHBondContact OD1-CB 3.23Å; D137-N139 PolarHBondContact OD1-N 2.88Å
140	G	70.9	Confident	75.4	Confident	42 Å²	42	71.9 Å²	71.9	43%	0.433	42%	0.419	S	S	.	.	S	Bend	trans	93.9	6.8	-176.5	0	0	0	0	0	113.8	I136 D137	I136-G140 WeakPolarHBondContact CG2-O 3.3Å; D137-G140 PolarHBondContact O-N 3.46Å; D137-G140 VanDerWaalsContact O-N 3.14Å; D137-G140 PolarHBondContact OD1-N 3.44Å; D137-G140 VanDerWaalsContact OD1-N 3.09Å
141	D	74.7	Confident	76.2	Confident	93 Å²	93	70.1 Å²	70.1	50%	0.497	41%	0.407	S	S	.	.			trans	-89.5	144.3	-177	-64.9	-47.9	0	0	0	111.4	I136 D137 I143	I136-D141 CarbonylContact C-O 3.53Å; I136-D141 WeakPolarHBondContact CA-O 3.35Å; D137-D141 PolarHBondContact N-O 2.74Å; D137-D141 PolarHBondContact OD1-N 3.02Å; D141-I143 PolarHBondContact O-N 3.49Å
142	P	76.5	Confident	77	Confident	44 Å²	44	73 Å²	73	29%	0.286	43%	0.427	S	S	.	.	B	Isolated β-bridge	trans	-56.8	129.5	176.9	-24.4	33.6	0	0	0	112.6	V134 K135 L144 I168	V134-P142 HydrophobicContact CG1-CB 3.79Å; V134-P142 HydrophobicContact CG1-CG 4.22Å; K135-P142 WeakPolarHBondContact O-CA 3.24Å; P142-L144 PolarHBondContact O-N 3.25Å; P142-L144 VanDerWaalsContact O-N 3.08Å; P142-I168 HydrophobicContact CB-CG2 4.07Å
143	I	84.4	Confident	77.1	Confident	68 Å²	68	71.7 Å²	71.7	35%	0.349	42%	0.42	S	S	.	.			trans	-70.6	109.5	175.6	-58.1	-175.4	0	0	0	108.6	K135 D137 D141 I168 C169	K135-I143 HydrophobicContact CB-CB 4.27Å; K135-I143 HydrophobicContact CB-CD1 3.94Å; K135-I143 HydrophobicContact CB-CG1 4.18Å; K135-I143 PolarHBondContact O-N 2.6Å; D137-I143 HydrophobicContact CB-CG1 4.2Å; D141-I143 PolarHBondContact O-N 3.49Å; I143-I168 WeakPolarHBondContact O-CA 3.34Å; I143-I168 WeakPolarHBondContact O-CG2 3.45Å; I143-C169 HydrophobicContact CB-CB 4.06Å; I143-C169 HydrophobicContact CG2-CB 4.12Å; I143-C169 PolarHBondContact O-N 3.39Å
144	L	84.5	Confident	76.8	Confident	114 Å²	114	76.4 Å²	76.4	60%	0.597	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	146.4	176	-57.2	175.5	0	0	0	111.1	F125 P142 G167	F125-L144 HydrophobicContact CD1-CD2 3.63Å; F125-L144 HydrophobicContact CE1-CD2 3.17Å; F125-L144 HydrophobicContact CZ-CD2 4.06Å; P142-L144 PolarHBondContact O-N 3.25Å; P142-L144 VanDerWaalsContact O-N 3.08Å; L144-G167 WeakPolarHBondContact CA-O 3.07Å
145	C	82.6	Confident	76.6	Confident	2 Å²	2	75.6 Å²	75.6	1%	0.014	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	155	173.9	61.4	0	0	0	0	112.4	N149 C151 C157 N166 G167 I168	C145-N149 VanDerWaalsContact CA-O 3.22Å; C145-N149 WeakPolarHBondContact CA-O 3.01Å; C145-N149 WeakPolarHBondContact CB-O 3.39Å; C145-C151 WeakPolarHBondContact CB-SG 3.48Å; C145-C157 HydrophobicContact CB-CB 3.8Å; C145-C157 WeakPolarHBondContact CB-SG 3.22Å; C145-C157 WeakPolarHBondContact SG-CA 3.19Å; C145-C157 WeakPolarHBondContact SG-CB 3.38Å; C145-C157 CovalentContact SG-SG 2.01Å; C145-C157 PolarHBondContact SG-SG 2.94Å; C145-N166 CarbonylContact O-C 3.59Å; C145-G167 PolarHBondContact N-O 3.03Å; C145-G167 CarbonylContact O-C 3.42Å; C145-G167 PolarHBondContact O-N 3.03Å; C145-I168 VanDerWaalsContact SG-CA 3.51Å; C145-I168 PolarHBondContact SG-N 2.04Å; C145-I168 PolarHBondContact SG-O 2.83Å; C145-I168 VanDerWaalsContact SG-O 3.4Å
146	N	81	Confident	76.4	Confident	45 Å²	45	74.8 Å²	74.8	24%	0.241	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	-171.3	171.2	62	28.9	0	0	0	109.3	T148 N149 R165 N166	N146-T148 PolarHBondContact O-N 2.81Å; N146-T148 WeakPolarHBondContact OD1-CA 2.88Å; N146-T148 PolarHBondContact OD1-N 3.05Å; N146-T148 PolarHBondContact OD1-OG1 3.12Å; N146-N149 PolarHBondContact N-O 3.37Å; N146-N149 CarbonylContact O-C 3.51Å; N146-N149 VanDerWaalsContact O-C 3.24Å; N146-N149 PolarHBondContact O-N 2.84Å; N146-N149 PolarHBondContact OD1-N 2.91Å; N146-R165 WeakPolarHBondContact CA-O 2.95Å; N146-R165 WeakPolarHBondContact CB-O 3.29Å; N146-N166 VanDerWaalsContact CB-OD1 3.26Å; N146-N166 WeakPolarHBondContact CB-OD1 3.38Å; N146-N166 PolarHBondContact ND2-OD1 2.97Å
147	V	72.3	Confident	76.4	Confident	36 Å²	36	72.1 Å²	72.1	22%	0.218	43%	0.433	C	S	.	.	S	Bend	trans	-61.2	-26.1	180	-173.8	0	0	0	0	113	R165 K247	V147-R165 HydrophobicContact CG2-CB 3.87Å; V147-R165 VanDerWaalsContact CG2-CD 3.45Å; V147-R165 HydrophobicContact CG2-CG 4.34Å; V147-K247 HydrophobicContact CG1-CB 3.74Å; V147-K247 HydrophobicContact CG1-CD 4.1Å; V147-K247 HydrophobicContact CG1-CG 4.46Å; V147-K247 WeakPolarHBondContact O-CB 3.13Å
148	T	77.7	Confident	76.5	Confident	93 Å²	93	72 Å²	72	57%	0.571	43%	0.431	S	S	*	.	S	Bend	trans	-93.6	-28.1	178.8	42.3	0	0	0	0	113.6	N146 P150	N146-T148 PolarHBondContact O-N 2.81Å; N146-T148 WeakPolarHBondContact OD1-CA 2.88Å; N146-T148 PolarHBondContact OD1-N 3.05Å; N146-T148 PolarHBondContact OD1-OG1 3.12Å; T148-P150 WeakPolarHBondContact O-CD 3.36Å
149	N	80	Confident	76.1	Confident	109 Å²	109	69.8 Å²	69.8	58%	0.583	41%	0.408	S	S	*	.	S	Bend	trans	-122.8	81.5	179.2	-77	14.4	0	0	0	109	C145 N146	C145-N149 VanDerWaalsContact CA-O 3.22Å; C145-N149 WeakPolarHBondContact CA-O 3.01Å; C145-N149 WeakPolarHBondContact CB-O 3.39Å; N146-N149 PolarHBondContact N-O 3.37Å; N146-N149 CarbonylContact O-C 3.51Å; N146-N149 VanDerWaalsContact O-C 3.24Å; N146-N149 PolarHBondContact O-N 2.84Å; N146-N149 PolarHBondContact OD1-N 2.91Å
150	P	76.9	Confident	75.6	Confident	87 Å²	87	64.9 Å²	64.9	57%	0.565	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-71.5	156.2	176.9	29.1	-33.6	0	0	0	111.3	T148	T148-P150 WeakPolarHBondContact O-CD 3.36Å
151	C	81	Confident	75.1	Confident	14 Å²	14	66 Å²	66	10%	0.095	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-66.7	143	174.7	-60.6	0	0	0	0	111.8	C145 P153 A155 C169	C145-C151 WeakPolarHBondContact CB-SG 3.48Å; C151-P153 VanDerWaalsContact O-CD 3.31Å; C151-P153 WeakPolarHBondContact O-CD 3.17Å; C151-A155 HydrophobicContact CB-CB 4Å; C151-A155 WeakPolarHBondContact CB-O 3.43Å; C151-C169 WeakPolarHBondContact CA-SG 3.4Å; C151-C169 HydrophobicContact CB-CB 3.8Å; C151-C169 WeakPolarHBondContact CB-SG 3.33Å; C151-C169 WeakPolarHBondContact SG-CA 3.42Å; C151-C169 WeakPolarHBondContact SG-CB 3.26Å; C151-C169 CovalentContact SG-SG 2.04Å; C151-C169 PolarHBondContact SG-SG 2.83Å
152	V	77.4	Confident	74	Confident	121 Å²	121	65.9 Å²	65.9	73%	0.733	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-68.4	121.2	172.6	-177.8	0	0	0	0	108.7	A155	V152-A155 WeakPolarHBondContact O-CB 3.3Å; V152-A155 PolarHBondContact O-N 2.74Å; V152-A155 VanDerWaalsContact O-N 3.08Å
153	P	62.3	Low	73	Confident	81 Å²	81	67.7 Å²	67.7	53%	0.526	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	142.9	176.4	-27.2	36.2	0	0	0	111.9	C151 L232	C151-P153 VanDerWaalsContact O-CD 3.31Å; C151-P153 WeakPolarHBondContact O-CD 3.17Å; P153-L232 HydrophobicContact CB-CD1 3.83Å; P153-L232 HydrophobicContact CG-CD1 3.65Å
154	P	64.5	Low	71.7	Confident	109 Å²	109	69.7 Å²	69.7	71%	0.708	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	cis	-88.6	12.6	11.1	36.8	-37.5	0	0	0	114.8
155	A	73.9	Confident	70.8	Confident	12 Å²	12	71 Å²	71	10%	0.099	42%	0.421	C	S	.	.			trans	-72.5	147.8	176.5	0	0	0	0	0	111.3	K135 C151 V152 C169 C170	K135-A155 HydrophobicContact CG-CB 4.03Å; C151-A155 HydrophobicContact CB-CB 4Å; C151-A155 WeakPolarHBondContact CB-O 3.43Å; V152-A155 WeakPolarHBondContact O-CB 3.3Å; V152-A155 PolarHBondContact O-N 2.74Å; V152-A155 VanDerWaalsContact O-N 3.08Å; A155-C169 HydrophobicContact CB-CB 4.33Å; A155-C170 VanDerWaalsContact CA-O 3.27Å; A155-C170 WeakPolarHBondContact CA-O 3.13Å; A155-C170 WeakPolarHBondContact CB-O 2.97Å
156	F	76	Confident	70.4	Confident	70 Å²	70	74.7 Å²	74.7	31%	0.307	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	155	175.5	66.3	-88.8	0	0	0	110.6	Q158 C169 C170 E172	F156-Q158 HydrophobicContact CE2-CB 4.35Å; F156-C169 WeakPolarHBondContact O-CA 3.46Å; F156-C170 HydrophobicContact CD1-CB 4.38Å; F156-C170 HydrophobicContact CD2-CB 4.3Å; F156-C170 HydrophobicContact CE1-CB 3.87Å; F156-C170 HydrophobicContact CE2-CB 3.8Å; F156-C170 HydrophobicContact CZ-CB 3.56Å; F156-C170 PolarHBondContact N-O 2.75Å; F156-C170 PolarHBondContact O-N 3.27Å; F156-E172 HydrophobicContact CD1-CG 4.09Å; F156-E172 HydrophobicContact CE1-CG 4.05Å
157	C	78.3	Confident	70.3	Confident	45 Å²	45	72.6 Å²	72.6	30%	0.304	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	113	-179.6	-172.3	0	0	0	0	110.6	C145 I168	C145-C157 HydrophobicContact CB-CB 3.8Å; C145-C157 WeakPolarHBondContact CB-SG 3.22Å; C145-C157 WeakPolarHBondContact SG-CA 3.19Å; C145-C157 WeakPolarHBondContact SG-CB 3.38Å; C145-C157 CovalentContact SG-SG 2.01Å; C145-C157 PolarHBondContact SG-SG 2.94Å; C157-I168 WeakPolarHBondContact CA-O 3.05Å
158	Q	77.8	Confident	70.9	Confident	65 Å²	65	70.9 Å²	70.9	30%	0.304	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	113.9	169.5	-171.3	88.3	-15.4	0	0	109.6	L128 F156 G167 I168 C170	L128-Q158 HydrophobicContact CB-CB 4.23Å; L128-Q158 HydrophobicContact CB-CG 3.86Å; L128-Q158 HydrophobicContact CD2-CG 3.61Å; L128-Q158 HydrophobicContact CG-CG 4.35Å; L128-Q158 VanDerWaalsContact O-CG 3.23Å; L128-Q158 WeakPolarHBondContact O-CG 3.49Å; L128-Q158 PolarHBondContact O-NE2 3.38Å; F156-Q158 HydrophobicContact CE2-CB 4.35Å; Q158-G167 CarbonylContact O-C 3.51Å; Q158-G167 WeakPolarHBondContact O-CA 3.23Å; Q158-I168 PolarHBondContact N-O 2.77Å; Q158-I168 PolarHBondContact O-N 3.41Å; Q158-C170 WeakPolarHBondContact CB-SG 3.03Å
159	L	73	Confident	71.1	Confident	83 Å²	83	66.6 Å²	66.6	44%	0.435	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	125.5	-178.3	-63.1	177	0	0	0	111.3	L128 R165	L128-L159 WeakPolarHBondContact CD2-O 3.34Å; L159-R165 WeakPolarHBondContact CD2-O 3.39Å
160	A	62.8	Low	71.2	Confident	29 Å²	29	61.4 Å²	61.4	24%	0.24	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	-40.6	175.3	0	0	0	0	0	111.5	F125 L128 N166	F125-A160 HydrophobicContact CE2-CB 4.26Å; F125-A160 HydrophobicContact CZ-CB 4.27Å; L128-A160 HydrophobicContact CD1-CB 3.36Å; L128-A160 HydrophobicContact CD2-CB 4.44Å; A160-N166 PolarHBondContact N-O 2.83Å
161	D	59	Low	71	Confident	65 Å²	65	58.6 Å²	58.6	35%	0.348	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	112.8	-174.6	-177.4	-2.2	0	0	0	109.6	A163 N164 R165	D161-A163 PolarHBondContact O-N 2.74Å; D161-A163 WeakPolarHBondContact OD1-CB 3.13Å; D161-A163 PolarHBondContact OD1-N 3.19Å; D161-N164 HydrophobicContact CB-CB 4.38Å; D161-N164 PolarHBondContact O-N 2.02Å; D161-N164 PolarHBondContact OD2-ND2 2.76Å; D161-R165 PolarHBondContact O-N 3.46Å
162	A	53.2	Low	70.1	Confident	92 Å²	92	61.4 Å²	61.4	76%	0.76	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-23.1	178.6	0	0	0	0	0	112.8
163	A	53.7	Low	68.7	Low	82 Å²	82	60.3 Å²	60.3	68%	0.678	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-42.4	178.7	0	0	0	0	0	112	D161	D161-A163 PolarHBondContact O-N 2.74Å; D161-A163 WeakPolarHBondContact OD1-CB 3.13Å; D161-A163 PolarHBondContact OD1-N 3.19Å
164	N	58.3	Low	68	Low	110 Å²	110	62.9 Å²	62.9	59%	0.588	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-7.3	-175.7	-72.1	-39.9	0	0	0	114.5	D161 N166	D161-N164 HydrophobicContact CB-CB 4.38Å; D161-N164 PolarHBondContact O-N 2.02Å; D161-N164 PolarHBondContact OD2-ND2 2.76Å; N164-N166 PolarHBondContact O-N 2.92Å
165	R	65	Low	66.7	Low	140 Å²	140	61.3 Å²	61.3	53%	0.528	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	28.9	178.1	-55.2	-172.3	179.7	-169.2	-1.6	114.4	N146 V147 L159 D161	N146-R165 WeakPolarHBondContact CA-O 2.95Å; N146-R165 WeakPolarHBondContact CB-O 3.29Å; V147-R165 HydrophobicContact CG2-CB 3.87Å; V147-R165 VanDerWaalsContact CG2-CD 3.45Å; V147-R165 HydrophobicContact CG2-CG 4.34Å; L159-R165 WeakPolarHBondContact CD2-O 3.39Å; D161-R165 PolarHBondContact O-N 3.46Å
166	N	74.3	Confident	64.9	Low	80 Å²	80	66.4 Å²	66.4	43%	0.428	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	143.6	169.4	-67.8	-30.2	0	0	0	109.1	C145 N146 A160 N164	C145-N166 CarbonylContact O-C 3.59Å; N146-N166 VanDerWaalsContact CB-OD1 3.26Å; N146-N166 WeakPolarHBondContact CB-OD1 3.38Å; N146-N166 PolarHBondContact ND2-OD1 2.97Å; A160-N166 PolarHBondContact N-O 2.83Å; N164-N166 PolarHBondContact O-N 2.92Å
167	G	79.7	Confident	63	Low	1 Å²	1	65.5 Å²	65.5	1%	0.01	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	-163.9	-173.5	0	0	0	0	0	111.9	L144 C145 Q158	L144-G167 WeakPolarHBondContact CA-O 3.07Å; C145-G167 PolarHBondContact N-O 3.03Å; C145-G167 CarbonylContact O-C 3.42Å; C145-G167 PolarHBondContact O-N 3.03Å; Q158-G167 CarbonylContact O-C 3.51Å; Q158-G167 WeakPolarHBondContact O-CA 3.23Å
168	I	84.2	Confident	61.2	Low	0 Å²	0	68.1 Å²	68.1	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	145.4	-175.1	-51.2	165.1	0	0	0	110.1	F125 L128 V134 P142 I143 C145 C157 Q158 C170	F125-I168 VanDerWaalsContact C-CD1 3.41Å; F125-I168 HydrophobicContact CB-CD1 3.28Å; F125-I168 HydrophobicContact CB-CG1 4.33Å; F125-I168 HydrophobicContact CD1-CB 4.43Å; F125-I168 HydrophobicContact CD1-CD1 2.94Å; F125-I168 HydrophobicContact CD1-CG1 3.02Å; F125-I168 HydrophobicContact CD2-CD1 4.33Å; F125-I168 HydrophobicContact CE1-CD1 3.58Å; F125-I168 HydrophobicContact CE1-CG1 3.17Å; F125-I168 HydrophobicContact CG-CD1 3.29Å; F125-I168 HydrophobicContact CG-CG1 3.9Å; F125-I168 HydrophobicContact CZ-CG1 4.28Å; F125-I168 WeakPolarHBondContact O-CD1 3.27Å; L128-I168 HydrophobicContact CB-CD1 4.1Å; L128-I168 HydrophobicContact CD1-CD1 3.67Å; L128-I168 HydrophobicContact CD1-CG1 4.31Å; V134-I168 HydrophobicContact CG1-CG2 4.01Å; P142-I168 HydrophobicContact CB-CG2 4.07Å; I143-I168 WeakPolarHBondContact O-CA 3.34Å; I143-I168 WeakPolarHBondContact O-CG2 3.45Å; C145-I168 VanDerWaalsContact SG-CA 3.51Å; C145-I168 PolarHBondContact SG-N 2.04Å; C145-I168 PolarHBondContact SG-O 2.83Å; C145-I168 VanDerWaalsContact SG-O 3.4Å; C157-I168 WeakPolarHBondContact CA-O 3.05Å; Q158-I168 PolarHBondContact N-O 2.77Å; Q158-I168 PolarHBondContact O-N 3.41Å; I168-C170 PolarHBondContact O-N 3.43Å
169	C	83	Confident	59.8	Low	3 Å²	3	73.3 Å²	73.3	2%	0.02	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	112.2	170.4	-62	0	0	0	0	111.1	K135 I143 C151 A155 F156	K135-C169 HydrophobicContact CB-CB 3.95Å; K135-C169 WeakPolarHBondContact CB-O 3.17Å; K135-C169 HydrophobicContact CG-CB 4.26Å; K135-C169 PolarHBondContact N-O 2.72Å; I143-C169 HydrophobicContact CB-CB 4.06Å; I143-C169 HydrophobicContact CG2-CB 4.12Å; I143-C169 PolarHBondContact O-N 3.39Å; C151-C169 WeakPolarHBondContact CA-SG 3.4Å; C151-C169 HydrophobicContact CB-CB 3.8Å; C151-C169 WeakPolarHBondContact CB-SG 3.33Å; C151-C169 WeakPolarHBondContact SG-CA 3.42Å; C151-C169 WeakPolarHBondContact SG-CB 3.26Å; C151-C169 CovalentContact SG-SG 2.04Å; C151-C169 PolarHBondContact SG-SG 2.83Å; A155-C169 HydrophobicContact CB-CB 4.33Å; F156-C169 WeakPolarHBondContact O-CA 3.46Å
170	C	81.8	Confident	58.8	Low	0 Å²	0	71.4 Å²	71.4	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	129.4	171.2	-53.7	0	0	0	0	108.8	C129 A155 F156 Q158 I168	C129-C170 WeakPolarHBondContact CA-SG 3.36Å; C129-C170 HydrophobicContact CB-CB 3.57Å; C129-C170 WeakPolarHBondContact CB-SG 3.44Å; C129-C170 WeakPolarHBondContact SG-CA 3.37Å; C129-C170 WeakPolarHBondContact SG-CB 2.86Å; C129-C170 CovalentContact SG-SG 2.01Å; C129-C170 PolarHBondContact SG-SG 3.17Å; A155-C170 VanDerWaalsContact CA-O 3.27Å; A155-C170 WeakPolarHBondContact CA-O 3.13Å; A155-C170 WeakPolarHBondContact CB-O 2.97Å; F156-C170 HydrophobicContact CD1-CB 4.38Å; F156-C170 HydrophobicContact CD2-CB 4.3Å; F156-C170 HydrophobicContact CE1-CB 3.87Å; F156-C170 HydrophobicContact CE2-CB 3.8Å; F156-C170 HydrophobicContact CZ-CB 3.56Å; F156-C170 PolarHBondContact N-O 2.75Å; F156-C170 PolarHBondContact O-N 3.27Å; Q158-C170 WeakPolarHBondContact CB-SG 3.03Å; I168-C170 PolarHBondContact O-N 3.43Å
171	S	72.2	Confident	58.9	Low	29 Å²	29	75.2 Å²	75.2	20%	0.203	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-67.1	146.9	160.5	-48.9	0	0	0	0	107.9	S133 K135 K173	S133-S171 WeakPolarHBondContact CB-O 2.94Å; S133-S171 WeakPolarHBondContact O-CA 3.27Å; S133-S171 WeakPolarHBondContact O-CB 3.37Å; S133-S171 PolarHBondContact O-N 2.65Å; S133-S171 PolarHBondContact O-OG 3.21Å; S133-S171 PolarHBondContact OG-O 2.62Å; K135-S171 WeakPolarHBondContact CD-OG 3.17Å; K135-S171 WeakPolarHBondContact CE-OG 3.48Å; K135-S171 WeakPolarHBondContact CG-OG 3.47Å; S171-K173 PolarHBondContact O-N 3.12Å
172	E	61.7	Low	59.6	Low	73 Å²	73	75.2 Å²	75.2	34%	0.341	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-65.3	120.3	162.4	-67.1	-165.4	122.7	0	0	108.4	F156 I174 F229	F156-E172 HydrophobicContact CD1-CG 4.09Å; F156-E172 HydrophobicContact CE1-CG 4.05Å; E172-I174 PolarHBondContact O-N 3.29Å; E172-F229 WeakPolarHBondContact OE1-CE2 3.42Å; E172-F229 WeakPolarHBondContact OE1-CZ 3.43Å
173	K	48.9	Very low	60.7	Low	97 Å²	97	71 Å²	71	42%	0.422	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-67.3	116.2	148.3	-84.1	-126.8	174.1	140.2	0	105.1	D131 S171 S175	D131-K173 HydrophobicContact CB-CD 3.41Å; D131-K173 VanDerWaalsContact CB-CD 3.41Å; D131-K173 HydrophobicContact CB-CG 3.84Å; D131-K173 VanDerWaalsContact CB-NZ 3.28Å; D131-K173 WeakPolarHBondContact O-CE 3.31Å; D131-K173 PolarHBondContact O-NZ 3.15Å; S171-K173 PolarHBondContact O-N 3.12Å; K173-S175 PolarHBondContact O-N 3.24Å; K173-S175 PolarHBondContact O-OG 2.86Å
174	I	46.1	Very low	61.6	Low	135 Å²	135	70.3 Å²	70.3	69%	0.692	36%	0.36	S	S	*	.			trans	-63.3	75.6	160.8	-59.6	164.4	0	0	0	105.8	E172 V176	E172-I174 PolarHBondContact O-N 3.29Å; I174-V176 PolarHBondContact O-N 3.4Å
175	S	37.4	Very low	62.1	Low	77 Å²	77	71.8 Å²	71.8	54%	0.538	36%	0.361	S	S	.	.			trans	-77.4	78.1	165.9	37.7	0	0	0	0	105.8	K173	K173-S175 PolarHBondContact O-N 3.24Å; K173-S175 PolarHBondContact O-OG 2.86Å
176	V	35.7	Very low	62	Low	119 Å²	119	69.1 Å²	69.1	72%	0.721	36%	0.357	S	S	*	.			trans	53.1	96.6	175.1	-173.3	0	0	0	0	111.3	I174 L178	I174-V176 PolarHBondContact O-N 3.4Å; V176-L178 PolarHBondContact O-N 3.23Å
177	S	36.1	Very low	61.8	Low	51 Å²	51	67.1 Å²	67.1	36%	0.357	35%	0.346	S	S	.	.			trans	-47.7	91.4	146.9	-55.7	0	0	0	0	108.3	R179	S177-R179 PolarHBondContact O-N 2.85Å
178	L	42	Very low	61.5	Low	100 Å²	100	69.4 Å²	69.4	52%	0.524	36%	0.361	S	S	.	.			trans	-58.7	93.9	141.5	-84.6	160.2	0	0	0	102.3	V176 Q180	V176-L178 PolarHBondContact O-N 3.23Å; L178-Q180 HydrophobicContact CB-CG 4.15Å; L178-Q180 PolarHBondContact O-N 2.01Å
179	R	47.8	Very low	61.1	Low	173 Å²	173	69.8 Å²	69.8	65%	0.653	36%	0.364	S	S	*	.			trans	-55.7	92.7	160.7	-74	-172.6	-168.2	-162.5	5.2	104.5	S177 N186	S177-R179 PolarHBondContact O-N 2.85Å; R179-N186 HydrophobicContact CG-CB 4.2Å
180	Q	52.4	Low	60.7	Low	43 Å²	43	71 Å²	71	20%	0.201	37%	0.37	C	S	.	.			trans	-80.6	121	174.4	-72.1	-85.2	-50.7	0	0	104	L178 W182 C183 A189 P198 I226	L178-Q180 HydrophobicContact CB-CG 4.15Å; L178-Q180 PolarHBondContact O-N 2.01Å; Q180-W182 PolarHBondContact O-N 3.04Å; Q180-C183 PolarHBondContact O-N 2.81Å; Q180-A189 HydrophobicContact CG-CB 4.41Å; Q180-P198 HydrophobicContact CG-CG 4.5Å; Q180-I226 HydrophobicContact CB-CD1 3.75Å; Q180-I226 HydrophobicContact CG-CD1 4.04Å
181	P	64.6	Low	60.3	Low	110 Å²	110	74.1 Å²	74.1	71%	0.714	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-9.2	-179.9	20.8	-29.9	0	0	0	112.9
182	W	74.5	Confident	59.7	Low	65 Å²	65	76.2 Å²	76.2	25%	0.246	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-23.3	179.8	-54.1	3.2	0	0	0	112.3	Q180 S216 N218 I226	Q180-W182 PolarHBondContact O-N 3.04Å; W182-S216 VanDerWaalsContact O-CB 3.25Å; W182-S216 WeakPolarHBondContact O-CB 3.42Å; W182-S216 PolarHBondContact O-OG 2.75Å; W182-N218 HydrophobicContact CD2-CB 3.6Å; W182-N218 VanDerWaalsContact CE2-CB 3.43Å; W182-N218 HydrophobicContact CE3-CB 3.99Å; W182-N218 HydrophobicContact CG-CB 3.98Å; W182-N218 HydrophobicContact CH2-CB 4.03Å; W182-N218 HydrophobicContact CZ2-CB 3.67Å; W182-N218 HydrophobicContact CZ3-CB 4.18Å; W182-N218 PolarHBondContact NE1-OD1 2.86Å; W182-I226 HydrophobicContact CB-CD1 3.92Å; W182-I226 HydrophobicContact CB-CG1 4.25Å; W182-I226 HydrophobicContact CD2-CD1 4.48Å; W182-I226 HydrophobicContact CE3-CD1 4.13Å; W182-I226 HydrophobicContact CE3-CG1 4.13Å; W182-I226 HydrophobicContact CE3-CG2 3.9Å; W182-I226 HydrophobicContact CG-CD1 4.47Å; W182-I226 HydrophobicContact CZ3-CG2 4.08Å
183	C	75.7	Confident	59.2	Low	4 Å²	4	78.9 Å²	78.9	3%	0.027	42%	0.419	C	S	.	.	S	Bend	trans	-88.3	131.5	177.3	-64.2	0	0	0	0	111.2	Q180 K185 N186 L187 C228	Q180-C183 PolarHBondContact O-N 2.81Å; C183-K185 PolarHBondContact O-N 3.3Å; C183-N186 PolarHBondContact O-N 2.01Å; C183-L187 HydrophobicContact CB-CB 4.2Å; C183-L187 WeakPolarHBondContact CB-O 3.01Å; C183-C228 WeakPolarHBondContact CA-SG 3.05Å; C183-C228 HydrophobicContact CB-CB 3.79Å; C183-C228 WeakPolarHBondContact CB-SG 3.17Å; C183-C228 WeakPolarHBondContact SG-CB 3Å; C183-C228 CovalentContact SG-SG 2.03Å; C183-C228 PolarHBondContact SG-SG 2.9Å
184	L	72.4	Confident	59.2	Low	66 Å²	66	78.2 Å²	78.2	35%	0.346	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-53.1	134.8	179.4	-156.3	83.7	0	0	0	110.5	N186 L187 F214 N274	L184-N186 PolarHBondContact O-N 3.29Å; L184-N186 VanDerWaalsContact O-N 3.1Å; L184-L187 HydrophobicContact CB-CD1 4.46Å; L184-L187 VanDerWaalsContact O-CB 3.31Å; L184-L187 WeakPolarHBondContact O-CB 3.32Å; L184-L187 VanDerWaalsContact O-CD1 3.29Å; L184-L187 WeakPolarHBondContact O-CD1 3.47Å; L184-L187 WeakPolarHBondContact O-CG 3.36Å; L184-L187 PolarHBondContact O-N 3.2Å; L184-F214 HydrophobicContact CB-CZ 4.2Å; L184-N274 HydrophobicContact CD2-CB 3.96Å
185	K	68.4	Low	59.6	Low	141 Å²	141	79.9 Å²	79.9	61%	0.613	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	53.9	27.2	178	-61.8	176.7	175.4	168.4	0	115.5	C183 L187 E234	C183-K185 PolarHBondContact O-N 3.3Å; K185-L187 PolarHBondContact O-N 3.03Å; K185-E234 IonicContact NZ-OE1 2.64Å; K185-E234 PolarHBondContact NZ-OE1 2.99Å; K185-E234 IonicContact NZ-OE2 2.79Å; K185-E234 PolarHBondContact NZ-OE2 3.09Å
186	N	62.8	Low	60.7	Low	84 Å²	84	78.4 Å²	78.4	45%	0.449	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	62	27.9	-173.7	-56.8	-45.7	0	0	0	114	R179 C183 L184	R179-N186 HydrophobicContact CG-CB 4.2Å; C183-N186 PolarHBondContact O-N 2.01Å; L184-N186 PolarHBondContact O-N 3.29Å; L184-N186 VanDerWaalsContact O-N 3.1Å
187	L	69.9	Low	62.2	Low	38 Å²	38	78.1 Å²	78.1	20%	0.199	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-56.9	153.4	168.5	-72.8	164.1	0	0	0	110.5	C183 L184 K185 F214 Y275	C183-L187 HydrophobicContact CB-CB 4.2Å; C183-L187 WeakPolarHBondContact CB-O 3.01Å; L184-L187 HydrophobicContact CB-CD1 4.46Å; L184-L187 VanDerWaalsContact O-CB 3.31Å; L184-L187 WeakPolarHBondContact O-CB 3.32Å; L184-L187 VanDerWaalsContact O-CD1 3.29Å; L184-L187 WeakPolarHBondContact O-CD1 3.47Å; L184-L187 WeakPolarHBondContact O-CG 3.36Å; L184-L187 PolarHBondContact O-N 3.2Å; K185-L187 PolarHBondContact O-N 3.03Å; L187-F214 HydrophobicContact CD1-CE1 4.35Å; L187-Y275 HydrophobicContact CD1-CE1 3.9Å
188	T	73.8	Confident	64	Low	50 Å²	50	77 Å²	77	31%	0.307	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-75.7	136.7	-176	-44	0	0	0	0	110.5	F229	T188-F229 WeakPolarHBondContact O-CD2 3.05Å; T188-F229 PolarHBondContact O-N 2.81Å
189	A	76.3	Confident	65.9	Low	8 Å²	8	77 Å²	77	7%	0.066	41%	0.414	C	S	.	.	B	Isolated β-bridge	trans	-78.8	135.1	169.7	0	0	0	0	0	109.8	Q180 V191 P198 I226 C227	Q180-A189 HydrophobicContact CG-CB 4.41Å; A189-V191 PolarHBondContact O-N 2.81Å; A189-P198 HydrophobicContact CB-CB 4.31Å; A189-I226 HydrophobicContact CB-CD1 3.8Å; A189-C227 CarbonylContact C-O 3.45Å; A189-C227 WeakPolarHBondContact CA-O 3.31Å
190	L	74.3	Confident	67.6	Low	28 Å²	28	77 Å²	77	15%	0.147	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-65.1	128.4	170.2	-162.1	102	0	0	0	108.2	P198 R199 P210 C227 F229	L190-P198 CarbonylContact O-C 3.24Å; L190-P198 WeakPolarHBondContact O-CA 3.46Å; L190-R199 HydrophobicContact CB-CB 4.44Å; L190-R199 HydrophobicContact CD2-CB 3.91Å; L190-R199 HydrophobicContact CD2-CG 4.25Å; L190-R199 PolarHBondContact O-N 2.79Å; L190-P210 HydrophobicContact CD1-CG 4.14Å; L190-P210 HydrophobicContact CD2-CG 3.78Å; L190-C227 HydrophobicContact CB-CB 4Å; L190-C227 WeakPolarHBondContact CB-O 3.49Å; L190-C227 PolarHBondContact N-O 2.84Å; L190-F229 HydrophobicContact CD1-CE1 3.75Å; L190-F229 HydrophobicContact CD1-CE2 3.99Å; L190-F229 HydrophobicContact CD1-CZ 3.4Å
191	V	72.9	Confident	69.1	Low	65 Å²	65	75 Å²	75	39%	0.394	41%	0.405	S	S	.	.	B	Isolated β-bridge	trans	-110.3	143.4	-179.8	-85.8	0	0	0	0	110.7	A189 G196 E197	A189-V191 PolarHBondContact O-N 2.81Å; V191-G196 WeakPolarHBondContact CG1-O 3.39Å; V191-E197 CarbonylContact C-O 3.51Å; V191-E197 WeakPolarHBondContact CA-O 3.22Å
192	N	60.8	Low	69.9	Low	73 Å²	73	71.4 Å²	71.4	39%	0.39	38%	0.382	S	S	.	.			trans	-71.3	134.7	175.1	-73.6	-34.7	0	0	0	110.3	G194 E197	N192-G194 PolarHBondContact O-N 3.35Å; N192-E197 PolarHBondContact N-O 2.87Å
193	T	49.9	Very low	69.9	Low	129 Å²	129	73.2 Å²	73.2	79%	0.791	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	122.5	176.8	33.1	0	0	0	0	110.4
194	G	49.6	Very low	69.4	Low	84 Å²	84	76.5 Å²	76.5	87%	0.866	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	107.8	-15.1	173.6	0	0	0	0	0	116.8	N192	N192-G194 PolarHBondContact O-N 3.35Å
195	K	54.8	Low	69.1	Low	170 Å²	170	81.2 Å²	81.2	74%	0.739	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.7	-13.3	178.8	-68.2	-172	179	-177.1	0	115.8	E197	K195-E197 HydrophobicContact CB-CG 4.18Å; K195-E197 PolarHBondContact O-N 2.7Å
196	G	59.6	Low	68.4	Low	46 Å²	46	80.1 Å²	80.1	47%	0.474	44%	0.441	S	S	.	.			trans	67.4	13.5	-174.3	0	0	0	0	0	113.7	V191	V191-G196 WeakPolarHBondContact CG1-O 3.39Å
197	E	67.9	Low	68.4	Low	112 Å²	112	80.8 Å²	80.8	52%	0.523	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-85.6	136.4	176.8	-70.3	-173.1	155.1	0	0	110.9	V191 N192 K195 R199	V191-E197 CarbonylContact C-O 3.51Å; V191-E197 WeakPolarHBondContact CA-O 3.22Å; N192-E197 PolarHBondContact N-O 2.87Å; K195-E197 HydrophobicContact CB-CG 4.18Å; K195-E197 PolarHBondContact O-N 2.7Å; E197-R199 PolarHBondContact O-N 3.08Å
198	P	74.8	Confident	68.4	Low	28 Å²	28	81.2 Å²	81.2	18%	0.182	46%	0.459	C	S	.	.	B	Isolated β-bridge	trans	-58.2	133.1	177.4	-23.6	32.4	0	0	0	111.9	Q180 A189 L190 R200 I226	Q180-P198 HydrophobicContact CG-CG 4.5Å; A189-P198 HydrophobicContact CB-CB 4.31Å; L190-P198 CarbonylContact O-C 3.24Å; L190-P198 WeakPolarHBondContact O-CA 3.46Å; P198-R200 PolarHBondContact O-N 3.42Å; P198-I226 HydrophobicContact CB-CB 4.04Å; P198-I226 HydrophobicContact CB-CD1 4.39Å; P198-I226 HydrophobicContact CB-CG2 3.69Å
199	R	80.5	Confident	68.5	Low	99 Å²	99	79.3 Å²	79.3	37%	0.374	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-64.4	119	173.5	-173.8	174.5	-178.2	138.5	-4.4	108.5	L190 E197 E208 I226 C227	L190-R199 HydrophobicContact CB-CB 4.44Å; L190-R199 HydrophobicContact CD2-CB 3.91Å; L190-R199 HydrophobicContact CD2-CG 4.25Å; L190-R199 PolarHBondContact O-N 2.79Å; E197-R199 PolarHBondContact O-N 3.08Å; R199-E208 PolarHBondContact NE-O 2.83Å; R199-E208 PolarHBondContact NH2-O 2.67Å; R199-I226 CarbonylContact O-C 3.56Å; R199-I226 WeakPolarHBondContact O-CA 3.44Å; R199-C227 HydrophobicContact CB-CB 4.38Å; R199-C227 PolarHBondContact O-N 2.73Å
200	R	83.9	Confident	68.3	Low	175 Å²	175	81.1 Å²	81.1	66%	0.66	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	154.3	-178.2	-57.7	-153.8	-161.7	-106.3	4.1	111.7	P198 G225	P198-R200 PolarHBondContact O-N 3.42Å; R200-G225 VanDerWaalsContact CA-O 3.29Å; R200-G225 WeakPolarHBondContact CA-O 3.47Å
201	C	83.2	Confident	68.1	Low	0 Å²	0	82.9 Å²	82.9	0%	0	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	165	176.7	59.4	0	0	0	0	110.7	E208 C209 C215 N224 G225 I226	C201-E208 VanDerWaalsContact C-OE2 3.3Å; C201-E208 VanDerWaalsContact CA-OE2 3.23Å; C201-E208 WeakPolarHBondContact CA-OE2 3.41Å; C201-E208 HydrophobicContact CB-CB 4.18Å; C201-C209 WeakPolarHBondContact CB-SG 3.25Å; C201-C215 HydrophobicContact CB-CB 3.73Å; C201-C215 WeakPolarHBondContact CB-SG 3.02Å; C201-C215 WeakPolarHBondContact SG-CA 3.38Å; C201-C215 WeakPolarHBondContact SG-CB 3.07Å; C201-C215 CovalentContact SG-SG 2.02Å; C201-C215 PolarHBondContact SG-SG 3.26Å; C201-N224 CarbonylContact O-C 3.57Å; C201-N224 WeakPolarHBondContact O-CA 3.41Å; C201-G225 PolarHBondContact N-O 2.89Å; C201-G225 PolarHBondContact O-N 3.45Å; C201-I226 PolarHBondContact SG-N 3.22Å
202	S	82.2	Confident	67.9	Low	34 Å²	34	82.7 Å²	82.7	24%	0.238	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	149.1	-177.8	-38.2	0	0	0	0	111.3	G204 R205 E208 T223	S202-G204 PolarHBondContact O-N 2.55Å; S202-R205 PolarHBondContact O-N 3.36Å; S202-E208 WeakPolarHBondContact CB-OE2 3.44Å; S202-E208 PolarHBondContact N-OE2 2.79Å; S202-E208 PolarHBondContact OG-OE2 2.84Å; S202-E208 VanDerWaalsContact OG-OE2 3.06Å; S202-T223 CarbonylContact C-O 3.56Å; S202-T223 VanDerWaalsContact CA-O 3.22Å; S202-T223 WeakPolarHBondContact CA-O 3.1Å
203	I	73.7	Confident	68.7	Low	104 Å²	104	79.2 Å²	79.2	53%	0.533	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	134.5	174	-112.4	176.9	0	0	0	110	R205 L217 T223	I203-R205 VanDerWaalsContact C-N 3.28Å; I203-R205 PolarHBondContact O-N 3.39Å; I203-L217 HydrophobicContact CD1-CD1 3.41Å; I203-L217 VanDerWaalsContact CD1-CD1 3.41Å; I203-L217 HydrophobicContact CG1-CD1 3.8Å; I203-T223 PolarHBondContact N-O 2.84Å
204	G	65.7	Low	70.1	Confident	73 Å²	73	73.3 Å²	73.3	75%	0.753	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	1.5	179.5	0	0	0	0	0	115.6	S202	S202-G204 PolarHBondContact O-N 2.55Å
205	R	66.1	Low	71.7	Confident	164 Å²	164	71.2 Å²	71.2	62%	0.619	39%	0.386	S	S	*	.			trans	-117.8	67.6	173.3	-69.1	-171.9	175.1	-172.4	0.2	111.4	S202 I203 A207 E208	S202-R205 PolarHBondContact O-N 3.36Å; I203-R205 VanDerWaalsContact C-N 3.28Å; I203-R205 PolarHBondContact O-N 3.39Å; R205-A207 PolarHBondContact O-N 3.37Å; R205-E208 HydrophobicContact CB-CG 3.88Å; R205-E208 WeakPolarHBondContact CD-OE1 3.09Å; R205-E208 IonicContact CZ-OE1 3.98Å; R205-E208 IonicContact NE-OE1 3.9Å; R205-E208 IonicContact NH1-OE1 3.18Å; R205-E208 PolarHBondContact NH1-OE1 3.05Å; R205-E208 WeakPolarHBondContact O-CB 3.21Å; R205-E208 PolarHBondContact O-N 2.03Å
206	E	54.2	Low	73.2	Confident	119 Å²	119	63.9 Å²	63.9	56%	0.556	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-58.4	-20.6	-175.4	-67.8	156.3	177.4	0	0	114.1
207	A	62.5	Low	74.3	Confident	98 Å²	98	63.1 Å²	63.1	81%	0.81	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-80.7	-8.1	177.8	0	0	0	0	0	114.6	R205 C209	R205-A207 PolarHBondContact O-N 3.37Å; A207-C209 VanDerWaalsContact C-N 3.25Å; A207-C209 PolarHBondContact O-N 2.71Å
208	E	70.1	Confident	74.8	Confident	47 Å²	47	61.5 Å²	61.5	22%	0.22	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-70.7	-27	179.1	-71.7	178.9	171.1	0	0	112.1	R199 C201 S202 R205	R199-E208 PolarHBondContact NE-O 2.83Å; R199-E208 PolarHBondContact NH2-O 2.67Å; C201-E208 VanDerWaalsContact C-OE2 3.3Å; C201-E208 VanDerWaalsContact CA-OE2 3.23Å; C201-E208 WeakPolarHBondContact CA-OE2 3.41Å; C201-E208 HydrophobicContact CB-CB 4.18Å; S202-E208 WeakPolarHBondContact CB-OE2 3.44Å; S202-E208 PolarHBondContact N-OE2 2.79Å; S202-E208 PolarHBondContact OG-OE2 2.84Å; S202-E208 VanDerWaalsContact OG-OE2 3.06Å; R205-E208 HydrophobicContact CB-CG 3.88Å; R205-E208 WeakPolarHBondContact CD-OE1 3.09Å; R205-E208 IonicContact CZ-OE1 3.98Å; R205-E208 IonicContact NE-OE1 3.9Å; R205-E208 IonicContact NH1-OE1 3.18Å; R205-E208 PolarHBondContact NH1-OE1 3.05Å; R205-E208 WeakPolarHBondContact O-CB 3.21Å; R205-E208 PolarHBondContact O-N 2.03Å
209	C	74.7	Confident	74.8	Confident	9 Å²	9	61.6 Å²	61.6	6%	0.061	34%	0.342	C	S	.	.	S	Bend	trans	-101.6	132.9	175.3	-63.9	0	0	0	0	111.1	C201 A207 S213 C227	C201-C209 WeakPolarHBondContact CB-SG 3.25Å; A207-C209 VanDerWaalsContact C-N 3.25Å; A207-C209 PolarHBondContact O-N 2.71Å; C209-S213 WeakPolarHBondContact CB-OG 3.47Å; C209-C227 WeakPolarHBondContact CA-SG 3.48Å; C209-C227 HydrophobicContact CB-CB 3.85Å; C209-C227 WeakPolarHBondContact CB-SG 3.37Å; C209-C227 WeakPolarHBondContact SG-CA 3.07Å; C209-C227 WeakPolarHBondContact SG-CB 3.38Å; C209-C227 CovalentContact SG-SG 2.04Å; C209-C227 PolarHBondContact SG-SG 3.04Å
210	P	73.4	Confident	74.4	Confident	46 Å²	46	62.7 Å²	62.7	30%	0.299	36%	0.359	S	S	.	.			trans	-58.9	161	173.2	19	-27.1	0	0	0	112.3	L190 S212 S213	L190-P210 HydrophobicContact CD1-CG 4.14Å; L190-P210 HydrophobicContact CD2-CG 3.78Å; P210-S212 PolarHBondContact O-N 2.8Å; P210-S212 VanDerWaalsContact O-N 3.1Å; P210-S213 WeakPolarHBondContact CD-OG 3.42Å; P210-S213 WeakPolarHBondContact CG-OG 3.4Å; P210-S213 WeakPolarHBondContact O-CA 3.1Å; P210-S213 PolarHBondContact O-N 3Å; P210-S213 PolarHBondContact O-OG 3.41Å
211	I	68.8	Low	74	Confident	65 Å²	65	62.1 Å²	62.1	33%	0.333	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-33.2	-169.8	-63.5	162.8	0	0	0	112.9	S213 D248 L250	I211-S213 PolarHBondContact O-N 2.95Å; I211-D248 HydrophobicContact CD1-CB 3.65Å; I211-D248 WeakPolarHBondContact CD1-O 3.19Å; I211-L250 HydrophobicContact CG2-CB 3.97Å; I211-L250 WeakPolarHBondContact CG2-O 3Å
212	S	69.6	Low	73.7	Confident	61 Å²	61	65.4 Å²	65.4	43%	0.427	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	5.9	177.2	55.3	0	0	0	0	114.8	P210 I230	P210-S212 PolarHBondContact O-N 2.8Å; P210-S212 VanDerWaalsContact O-N 3.1Å; S212-I230 PolarHBondContact O-N 2.85Å
213	S	77.4	Confident	73.5	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	160	-176.6	64	0	0	0	0	112.4	C209 P210 I211 C228 R252	C209-S213 WeakPolarHBondContact CB-OG 3.47Å; P210-S213 WeakPolarHBondContact CD-OG 3.42Å; P210-S213 WeakPolarHBondContact CG-OG 3.4Å; P210-S213 WeakPolarHBondContact O-CA 3.1Å; P210-S213 PolarHBondContact O-N 3Å; P210-S213 PolarHBondContact O-OG 3.41Å; I211-S213 PolarHBondContact O-N 2.95Å; S213-C228 CarbonylContact C-O 3.52Å; S213-C228 WeakPolarHBondContact CA-O 2.98Å; S213-C228 WeakPolarHBondContact CB-O 3.37Å; S213-R252 PolarHBondContact O-NH2 2.96Å
214	F	79.6	Confident	73.9	Confident	5 Å²	5	67.3 Å²	67.3	2%	0.022	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	152.6	176.6	72.8	-79.4	0	0	0	110.2	L184 L187 S216 C227 C228 F229 I230 Y275 I277	L184-F214 HydrophobicContact CB-CZ 4.2Å; L187-F214 HydrophobicContact CD1-CE1 4.35Å; F214-S216 PolarHBondContact O-N 2.86Å; F214-C227 CarbonylContact O-C 3.59Å; F214-C227 WeakPolarHBondContact O-CA 3.37Å; F214-C228 HydrophobicContact CD1-CB 4.18Å; F214-C228 WeakPolarHBondContact CD1-O 2.97Å; F214-C228 HydrophobicContact CE1-CB 3.64Å; F214-C228 HydrophobicContact CZ-CB 3.83Å; F214-C228 PolarHBondContact N-O 3.07Å; F214-C228 PolarHBondContact O-N 3.34Å; F214-F229 WeakPolarHBondContact CE1-O 3.49Å; F214-I230 HydrophobicContact CB-CD1 4.39Å; F214-I230 HydrophobicContact CB-CG1 4.1Å; F214-I230 HydrophobicContact CD1-CG1 3.72Å; F214-I230 HydrophobicContact CG-CG1 4.36Å; F214-Y275 AromaticContact CD1-CD1 3.63Å; F214-Y275 HydrophobicContact CD1-CD1 3.63Å; F214-Y275 HydrophobicContact CD1-CE1 4.32Å; F214-Y275 HydrophobicContact CD1-CG 4.36Å; F214-Y275 HydrophobicContact CD2-CD1 4.43Å; F214-Y275 WeakPolarHBondContact CD2-O 3.35Å; F214-Y275 AromaticContact CE1-CD1 3.44Å; F214-Y275 HydrophobicContact CE1-CD1 3.44Å; F214-Y275 VanDerWaalsContact CE1-CD1 3.44Å; F214-Y275 AromaticContact CE1-CE1 3.84Å; F214-Y275 HydrophobicContact CE1-CE1 3.84Å; F214-Y275 HydrophobicContact CE2-CD1 4.28Å; F214-Y275 HydrophobicContact CG-CD1 4.14Å; F214-Y275 AromaticContact CZ-CD1 3.79Å; F214-Y275 HydrophobicContact CZ-CD1 3.79Å; F214-Y275 HydrophobicContact CZ-CE1 4.3Å; F214-I277 HydrophobicContact CB-CG2 3.91Å
215	C	83.2	Confident	74.8	Confident	41 Å²	41	63.9 Å²	63.9	28%	0.277	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	114.1	177.6	-172.2	0	0	0	0	110.1	C201	C201-C215 HydrophobicContact CB-CB 3.73Å; C201-C215 WeakPolarHBondContact CB-SG 3.02Å; C201-C215 WeakPolarHBondContact SG-CA 3.38Å; C201-C215 WeakPolarHBondContact SG-CB 3.07Å; C201-C215 CovalentContact SG-SG 2.02Å; C201-C215 PolarHBondContact SG-SG 3.26Å
216	S	85.8	Confident	75.7	Confident	16 Å²	16	56.1 Å²	56.1	11%	0.112	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	125.7	176.5	-152.8	0	0	0	0	110.9	W182 F214 G225 I226 C228	W182-S216 VanDerWaalsContact O-CB 3.25Å; W182-S216 WeakPolarHBondContact O-CB 3.42Å; W182-S216 PolarHBondContact O-OG 2.75Å; F214-S216 PolarHBondContact O-N 2.86Å; S216-G225 CarbonylContact O-C 3.45Å; S216-G225 WeakPolarHBondContact O-CA 3.17Å; S216-I226 PolarHBondContact N-O 2.98Å; S216-I226 PolarHBondContact O-N 3.1Å; S216-C228 WeakPolarHBondContact CB-SG 3.5Å
217	L	82.8	Confident	77.1	Confident	30 Å²	30	50.5 Å²	50.5	16%	0.157	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	147.3	-179.7	-56	173.6	0	0	0	110	I203 G219 E222 N224	I203-L217 HydrophobicContact CD1-CD1 3.41Å; I203-L217 VanDerWaalsContact CD1-CD1 3.41Å; I203-L217 HydrophobicContact CG1-CD1 3.8Å; L217-G219 PolarHBondContact O-N 3.32Å; L217-E222 WeakPolarHBondContact CD1-O 2.86Å; L217-N224 VanDerWaalsContact CD2-C 3.41Å; L217-N224 VanDerWaalsContact CD2-O 3.3Å; L217-N224 WeakPolarHBondContact CD2-O 3.27Å
218	N	77.6	Confident	78.2	Confident	77 Å²	77	45.8 Å²	45.8	41%	0.412	27%	0.267	S	S	.	.	S	Bend	trans	-72.2	-14.6	175.7	-179.6	39.5	0	0	0	113.1	W182 E222	W182-N218 HydrophobicContact CD2-CB 3.6Å; W182-N218 VanDerWaalsContact CE2-CB 3.43Å; W182-N218 HydrophobicContact CE3-CB 3.99Å; W182-N218 HydrophobicContact CG-CB 3.98Å; W182-N218 HydrophobicContact CH2-CB 4.03Å; W182-N218 HydrophobicContact CZ2-CB 3.67Å; W182-N218 HydrophobicContact CZ3-CB 4.18Å; W182-N218 PolarHBondContact NE1-OD1 2.86Å; N218-E222 WeakPolarHBondContact CB-OE2 2.97Å; N218-E222 PolarHBondContact ND2-OE1 3.24Å
219	G	75.1	Confident	78.6	Confident	31 Å²	31	45.5 Å²	45.5	32%	0.32	27%	0.265	S	S	.	.	S	Bend	trans	-164	169.5	-179.7	0	0	0	0	0	112.9	L217 N221 E222	L217-G219 PolarHBondContact O-N 3.32Å; G219-N221 VanDerWaalsContact C-N 3.3Å; G219-N221 PolarHBondContact O-N 2.99Å; G219-E222 PolarHBondContact O-N 3.1Å
220	V	72.4	Confident	78.7	Confident	122 Å²	122	45.7 Å²	45.7	74%	0.739	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-29.3	-175.9	-168.9	0	0	0	0	112.5
221	N	75.3	Confident	78.8	Confident	162 Å²	162	45 Å²	45	87%	0.866	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	2.5	-178	-68.3	-5.6	0	0	0	113.6	G219	G219-N221 VanDerWaalsContact C-N 3.3Å; G219-N221 PolarHBondContact O-N 2.99Å
222	E	77.3	Confident	79	Confident	70 Å²	70	44.9 Å²	44.9	33%	0.327	26%	0.261	S	S	.	.			trans	-84.2	140.8	178	-69.6	-163	-163.6	0	0	111	L217 N218 G219	L217-E222 WeakPolarHBondContact CD1-O 2.86Å; N218-E222 WeakPolarHBondContact CB-OE2 2.97Å; N218-E222 PolarHBondContact ND2-OE1 3.24Å; G219-E222 PolarHBondContact O-N 3.1Å
223	T	78.4	Confident	79.2	Confident	85 Å²	85	50.8 Å²	50.8	52%	0.521	28%	0.282	S	S	.	.	S	Bend	trans	-95.6	-12.7	174.8	57.9	0	0	0	0	112.7	S202 I203	S202-T223 CarbonylContact C-O 3.56Å; S202-T223 VanDerWaalsContact CA-O 3.22Å; S202-T223 WeakPolarHBondContact CA-O 3.1Å; I203-T223 PolarHBondContact N-O 2.84Å
224	N	81.9	Confident	79.2	Confident	93 Å²	93	53.5 Å²	53.5	50%	0.497	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	144.8	-175.4	-59.3	-22.5	0	0	0	109.5	C201 L217	C201-N224 CarbonylContact O-C 3.57Å; C201-N224 WeakPolarHBondContact O-CA 3.41Å; L217-N224 VanDerWaalsContact CD2-C 3.41Å; L217-N224 VanDerWaalsContact CD2-O 3.3Å; L217-N224 WeakPolarHBondContact CD2-O 3.27Å
225	G	85	Confident	79.4	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.01	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	-163.8	-177.3	0	0	0	0	0	112	R200 C201 S216	R200-G225 VanDerWaalsContact CA-O 3.29Å; R200-G225 WeakPolarHBondContact CA-O 3.47Å; C201-G225 PolarHBondContact N-O 2.89Å; C201-G225 PolarHBondContact O-N 3.45Å; S216-G225 CarbonylContact O-C 3.45Å; S216-G225 WeakPolarHBondContact O-CA 3.17Å
226	I	85.4	Confident	79.6	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	147.8	176.3	63.3	179.6	0	0	0	110.2	Q180 W182 A189 P198 R199 C201 S216 C228	Q180-I226 HydrophobicContact CB-CD1 3.75Å; Q180-I226 HydrophobicContact CG-CD1 4.04Å; W182-I226 HydrophobicContact CB-CD1 3.92Å; W182-I226 HydrophobicContact CB-CG1 4.25Å; W182-I226 HydrophobicContact CD2-CD1 4.48Å; W182-I226 HydrophobicContact CE3-CD1 4.13Å; W182-I226 HydrophobicContact CE3-CG1 4.13Å; W182-I226 HydrophobicContact CE3-CG2 3.9Å; W182-I226 HydrophobicContact CG-CD1 4.47Å; W182-I226 HydrophobicContact CZ3-CG2 4.08Å; A189-I226 HydrophobicContact CB-CD1 3.8Å; P198-I226 HydrophobicContact CB-CB 4.04Å; P198-I226 HydrophobicContact CB-CD1 4.39Å; P198-I226 HydrophobicContact CB-CG2 3.69Å; R199-I226 CarbonylContact O-C 3.56Å; R199-I226 WeakPolarHBondContact O-CA 3.44Å; C201-I226 PolarHBondContact SG-N 3.22Å; S216-I226 PolarHBondContact N-O 2.98Å; S216-I226 PolarHBondContact O-N 3.1Å; I226-C228 PolarHBondContact O-N 3.08Å
227	C	83.8	Confident	79.8	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	119.2	174.3	-60.7	0	0	0	0	109.2	A189 L190 R199 C209 F214	A189-C227 CarbonylContact C-O 3.45Å; A189-C227 WeakPolarHBondContact CA-O 3.31Å; L190-C227 HydrophobicContact CB-CB 4Å; L190-C227 WeakPolarHBondContact CB-O 3.49Å; L190-C227 PolarHBondContact N-O 2.84Å; R199-C227 HydrophobicContact CB-CB 4.38Å; R199-C227 PolarHBondContact O-N 2.73Å; C209-C227 WeakPolarHBondContact CA-SG 3.48Å; C209-C227 HydrophobicContact CB-CB 3.85Å; C209-C227 WeakPolarHBondContact CB-SG 3.37Å; C209-C227 WeakPolarHBondContact SG-CA 3.07Å; C209-C227 WeakPolarHBondContact SG-CB 3.38Å; C209-C227 CovalentContact SG-SG 2.04Å; C209-C227 PolarHBondContact SG-SG 3.04Å; F214-C227 CarbonylContact O-C 3.59Å; F214-C227 WeakPolarHBondContact O-CA 3.37Å
228	C	83.7	Confident	80.1	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	144.9	176.4	-58.7	0	0	0	0	109.6	C183 S213 F214 S216 I226	C183-C228 WeakPolarHBondContact CA-SG 3.05Å; C183-C228 HydrophobicContact CB-CB 3.79Å; C183-C228 WeakPolarHBondContact CB-SG 3.17Å; C183-C228 WeakPolarHBondContact SG-CB 3Å; C183-C228 CovalentContact SG-SG 2.03Å; C183-C228 PolarHBondContact SG-SG 2.9Å; S213-C228 CarbonylContact C-O 3.52Å; S213-C228 WeakPolarHBondContact CA-O 2.98Å; S213-C228 WeakPolarHBondContact CB-O 3.37Å; F214-C228 HydrophobicContact CD1-CB 4.18Å; F214-C228 WeakPolarHBondContact CD1-O 2.97Å; F214-C228 HydrophobicContact CE1-CB 3.64Å; F214-C228 HydrophobicContact CZ-CB 3.83Å; F214-C228 PolarHBondContact N-O 3.07Å; F214-C228 PolarHBondContact O-N 3.34Å; S216-C228 WeakPolarHBondContact CB-SG 3.5Å; I226-C228 PolarHBondContact O-N 3.08Å
229	F	79.8	Confident	80.5	Confident	40 Å²	40	59.5 Å²	59.5	18%	0.175	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	144.4	176.5	-76.7	-75	0	0	0	112.5	E172 T188 L190 F214	E172-F229 WeakPolarHBondContact OE1-CE2 3.42Å; E172-F229 WeakPolarHBondContact OE1-CZ 3.43Å; T188-F229 WeakPolarHBondContact O-CD2 3.05Å; T188-F229 PolarHBondContact O-N 2.81Å; L190-F229 HydrophobicContact CD1-CE1 3.75Å; L190-F229 HydrophobicContact CD1-CE2 3.99Å; L190-F229 HydrophobicContact CD1-CZ 3.4Å; F214-F229 WeakPolarHBondContact CE1-O 3.49Å
230	I	76.1	Confident	81	Confident	13 Å²	13	65.4 Å²	65.4	7%	0.067	35%	0.354	C	S	.	.			trans	-87.9	130.5	171.9	-60.6	163	0	0	0	107.9	S212 F214 L232 L235 Y275 I277	S212-I230 PolarHBondContact O-N 2.85Å; F214-I230 HydrophobicContact CB-CD1 4.39Å; F214-I230 HydrophobicContact CB-CG1 4.1Å; F214-I230 HydrophobicContact CD1-CG1 3.72Å; F214-I230 HydrophobicContact CG-CG1 4.36Å; I230-L232 PolarHBondContact O-N 3.24Å; I230-L235 HydrophobicContact CG2-CD1 4.08Å; I230-L235 HydrophobicContact CG2-CD2 3.8Å; I230-L235 HydrophobicContact CG2-CG 3.97Å; I230-Y275 HydrophobicContact CG2-CD2 3.86Å; I230-Y275 HydrophobicContact CG2-CE1 4.47Å; I230-Y275 HydrophobicContact CG2-CE2 3.75Å; I230-Y275 HydrophobicContact CG2-CG 4.28Å; I230-I277 HydrophobicContact CD1-CD1 3.62Å; I230-I277 HydrophobicContact CG1-CD1 4.4Å
231	S	76.1	Confident	81.9	Confident	31 Å²	31	61.3 Å²	61.3	22%	0.217	33%	0.327	C	S	.	.			trans	-76.8	109.9	165.3	-177.5	0	0	0	0	108.9	E233 E234 Y275	S231-E233 PolarHBondContact O-N 3.31Å; S231-E234 PolarHBondContact O-N 3.29Å; S231-Y275 VanDerWaalsContact CB-OH 3.29Å; S231-Y275 WeakPolarHBondContact CB-OH 3.46Å; S231-Y275 PolarHBondContact N-OH 3.02Å; S231-Y275 PolarHBondContact O-OH 3.34Å
232	L	73.3	Confident	82.6	Confident	63 Å²	63	57.6 Å²	57.6	33%	0.33	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-61.8	-28.7	-178.4	-63.9	176.7	0	0	0	112.3	P153 I230 E234 L235 Y245	P153-L232 HydrophobicContact CB-CD1 3.83Å; P153-L232 HydrophobicContact CG-CD1 3.65Å; I230-L232 PolarHBondContact O-N 3.24Å; L232-E234 PolarHBondContact O-N 2.04Å; L232-L235 HydrophobicContact CD2-CD1 3.76Å; L232-L235 PolarHBondContact O-N 3.14Å; L232-Y245 HydrophobicContact CD2-CE1 4.19Å
233	E	72.5	Confident	83.2	Confident	185 Å²	185	55.1 Å²	55.1	86%	0.864	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-67.1	-22.4	175.4	-62.7	177.6	-176	0	0	112.7	S231	S231-E233 PolarHBondContact O-N 3.31Å
234	E	77.8	Confident	83.6	Confident	58 Å²	58	52.3 Å²	52.3	27%	0.271	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-94	2.1	178.2	-61	-163	-175.4	0	0	113.2	K185 S231 L232 T236 Y275	K185-E234 IonicContact NZ-OE1 2.64Å; K185-E234 PolarHBondContact NZ-OE1 2.99Å; K185-E234 IonicContact NZ-OE2 2.79Å; K185-E234 PolarHBondContact NZ-OE2 3.09Å; S231-E234 PolarHBondContact O-N 3.29Å; L232-E234 PolarHBondContact O-N 2.04Å; E234-T236 PolarHBondContact O-N 2.81Å; E234-Y275 HydrophobicContact CB-CE2 4.04Å; E234-Y275 WeakPolarHBondContact CB-OH 3.41Å; E234-Y275 PolarHBondContact OE2-OH 3.29Å
235	L	84.9	Confident	83.6	Confident	13 Å²	13	53 Å²	53	7%	0.068	27%	0.27	C	S	.	.			trans	-80	113.6	173.8	-65.9	178	0	0	0	109.8	I230 L232 P243 L250 Y275 I277 Y279	I230-L235 HydrophobicContact CG2-CD1 4.08Å; I230-L235 HydrophobicContact CG2-CD2 3.8Å; I230-L235 HydrophobicContact CG2-CG 3.97Å; L232-L235 HydrophobicContact CD2-CD1 3.76Å; L232-L235 PolarHBondContact O-N 3.14Å; L235-P243 HydrophobicContact CB-CG 3.87Å; L235-L250 HydrophobicContact CD1-CD1 3.99Å; L235-L250 HydrophobicContact CD1-CD2 3.73Å; L235-L250 HydrophobicContact CD1-CG 4.46Å; L235-Y275 HydrophobicContact CD2-CD2 3.89Å; L235-Y275 HydrophobicContact CD2-CE2 4.1Å; L235-I277 HydrophobicContact CD2-CD1 4.42Å; L235-Y279 HydrophobicContact CD2-CD1 4.41Å; L235-Y279 HydrophobicContact CD2-CE1 3.65Å
236	T	87.4	Confident	83.1	Confident	78 Å²	78	54.2 Å²	54.2	48%	0.479	28%	0.282	S	S	.	.			trans	-110.3	156.5	178.1	56	0	0	0	0	111.2	E234 Y270 Y279	E234-T236 PolarHBondContact O-N 2.81Å; T236-Y270 WeakPolarHBondContact O-CD1 3.42Å; T236-Y270 WeakPolarHBondContact O-CE1 3.39Å; T236-Y279 PolarHBondContact N-OH 2.83Å; T236-Y279 PolarHBondContact O-OH 3.35Å
237	C	90.2	Very high	82.1	Confident	26 Å²	26	61 Å²	61	18%	0.176	31%	0.312	C	S	.	.			trans	-127.6	167.1	171.9	-77.4	0	0	0	0	109.5	M241 C281	C237-M241 HydrophobicContact CB-CB 3.78Å; C237-M241 WeakPolarHBondContact CB-O 3.36Å; C237-C281 HydrophobicContact CB-CB 3.74Å; C237-C281 WeakPolarHBondContact CB-SG 3.11Å; C237-C281 WeakPolarHBondContact SG-CB 3.44Å; C237-C281 CovalentContact SG-SG 2.03Å; C237-C281 PolarHBondContact SG-SG 2.93Å
238	P	88.6	Confident	81.1	Confident	52 Å²	52	66.4 Å²	66.4	34%	0.338	34%	0.341	S	S	.	.	S	Bend	trans	-53.6	164.4	167.8	-24.3	35.2	0	0	0	112.2	H240 M241 Y270	P238-H240 PolarHBondContact O-N 2.82Å; P238-M241 HydrophobicContact CB-SD 4.41Å; P238-M241 HydrophobicContact CG-SD 4.41Å; P238-M241 WeakPolarHBondContact O-CB 3.5Å; P238-M241 PolarHBondContact O-N 3.22Å; P238-Y270 HydrophobicContact CG-CD2 3.88Å; P238-Y270 HydrophobicContact CG-CE2 4.18Å
239	V	85.3	Confident	80.4	Confident	125 Å²	125	67.6 Å²	67.6	76%	0.758	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	137.5	-177.4	-163.8	0	0	0	0	110.5	M241	V239-M241 PolarHBondContact O-N 3.41Å
240	H	85.1	Confident	80.4	Confident	156 Å²	156	66.1 Å²	66.1	72%	0.722	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.3	18.2	-176.5	-48.9	-65.3	0	0	0	115.6	P238 V284	P238-H240 PolarHBondContact O-N 2.82Å; H240-V284 PolarHBondContact O-N 2.98Å
241	M	92.2	Very high	80.8	Confident	35 Å²	35	68.1 Å²	68.1	17%	0.172	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	156.3	172.9	-64.5	-173.3	138.9	0	0	111.6	C237 P238 V239 C281 E282 E283	C237-M241 HydrophobicContact CB-CB 3.78Å; C237-M241 WeakPolarHBondContact CB-O 3.36Å; P238-M241 HydrophobicContact CB-SD 4.41Å; P238-M241 HydrophobicContact CG-SD 4.41Å; P238-M241 WeakPolarHBondContact O-CB 3.5Å; P238-M241 PolarHBondContact O-N 3.22Å; V239-M241 PolarHBondContact O-N 3.41Å; M241-C281 HydrophobicContact CB-CB 4.09Å; M241-C281 HydrophobicContact SD-CB 4.06Å; M241-E282 CarbonylContact C-O 3.58Å; M241-E282 WeakPolarHBondContact CA-O 3.41Å; M241-E282 WeakPolarHBondContact CB-O 3.35Å; M241-E283 HydrophobicContact CE-CG 3.48Å; M241-E283 VanDerWaalsContact CE-CG 3.48Å; M241-E283 HydrophobicContact CG-CG 4.37Å
242	K	89.9	Confident	81.1	Confident	85 Å²	85	69.3 Å²	69.3	37%	0.37	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	155.5	172.7	68.5	-176.7	177.5	-173.4	0	110.8	K244 C281 E282 V284	K242-K244 PolarHBondContact O-N 3.1Å; K242-C281 CarbonylContact O-C 3.53Å; K242-C281 VanDerWaalsContact O-CA 3.3Å; K242-C281 WeakPolarHBondContact O-CA 3.27Å; K242-E282 WeakPolarHBondContact CE-OE1 3.16Å; K242-E282 HydrophobicContact CG-CG 3.82Å; K242-E282 PolarHBondContact N-O 2.88Å; K242-E282 PolarHBondContact O-N 3.35Å; K242-V284 HydrophobicContact CB-CG2 3.79Å; K242-V284 HydrophobicContact CD-CG2 3.84Å; K242-V284 HydrophobicContact CG-CG2 3.7Å
243	P	89	Confident	81.6	Confident	18 Å²	18	66.7 Å²	66.7	12%	0.117	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	131.8	173.6	-20.9	31.8	0	0	0	109.7	L235 Y245 L250 Y279	L235-P243 HydrophobicContact CB-CG 3.87Å; P243-Y245 HydrophobicContact CB-CE2 3.9Å; P243-Y245 WeakPolarHBondContact O-CD2 3.29Å; P243-Y245 VanDerWaalsContact O-CE2 3.27Å; P243-Y245 WeakPolarHBondContact O-CE2 3.18Å; P243-L250 HydrophobicContact CB-CD1 3.81Å; P243-Y279 HydrophobicContact CB-CD2 4.23Å; P243-Y279 HydrophobicContact CB-CE2 4.13Å; P243-Y279 HydrophobicContact CG-CE2 4.22Å
244	K	86.9	Confident	81.9	Confident	26 Å²	26	60.4 Å²	60.4	11%	0.113	32%	0.315	C	S	.	.			trans	-85	134.1	179.7	-175.2	179.8	-176.7	-172.7	0	110.3	K242 E251 A261 D267 C280 E282	K242-K244 PolarHBondContact O-N 3.1Å; K244-E251 HydrophobicContact CD-CG 4.46Å; K244-E251 HydrophobicContact CG-CB 4.46Å; K244-E251 HydrophobicContact CG-CG 4.29Å; K244-E251 PolarHBondContact O-N 2.82Å; K244-A261 PolarHBondContact NZ-O 2.94Å; K244-D267 WeakPolarHBondContact CD-OD2 3.39Å; K244-D267 WeakPolarHBondContact CE-OD2 3.31Å; K244-D267 IonicContact NZ-OD2 2.68Å; K244-D267 PolarHBondContact NZ-OD2 3.45Å; K244-C280 HydrophobicContact CB-CB 3.94Å; K244-C280 WeakPolarHBondContact CB-O 3.37Å; K244-C280 HydrophobicContact CD-CB 4.1Å; K244-C280 PolarHBondContact N-O 3.06Å; K244-E282 HydrophobicContact CB-CB 4.15Å; K244-E282 HydrophobicContact CB-CG 4.08Å; K244-E282 HydrophobicContact CD-CB 4.39Å; K244-E282 HydrophobicContact CG-CB 4.38Å; K244-E282 HydrophobicContact CG-CG 4.39Å
245	Y	82.9	Confident	82.1	Confident	107 Å²	107	60.5 Å²	60.5	42%	0.42	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	128.5	176.1	-63	-91.9	0	0	0	109.7	L232 P243 G249 L250	L232-Y245 HydrophobicContact CD2-CE1 4.19Å; P243-Y245 HydrophobicContact CB-CE2 3.9Å; P243-Y245 WeakPolarHBondContact O-CD2 3.29Å; P243-Y245 VanDerWaalsContact O-CE2 3.27Å; P243-Y245 WeakPolarHBondContact O-CE2 3.18Å; Y245-G249 CarbonylContact C-O 3.53Å; Y245-G249 WeakPolarHBondContact CA-O 3.31Å; Y245-L250 HydrophobicContact CD1-CB 4.16Å; Y245-L250 HydrophobicContact CD1-CD1 4.44Å; Y245-L250 HydrophobicContact CE1-CB 3.96Å; Y245-L250 HydrophobicContact CE1-CD1 3.96Å
246	G	74.5	Confident	81.9	Confident	26 Å²	26	68 Å²	68	27%	0.268	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-166.7	172.4	0	0	0	0	0	111.2	D248 G249 E251	G246-D248 PolarHBondContact O-N 3.24Å; G246-G249 PolarHBondContact N-O 3.43Å; G246-G249 PolarHBondContact O-N 3.39Å; G246-E251 WeakPolarHBondContact CA-OE1 3.41Å
247	K	65	Low	81.3	Confident	143 Å²	143	71.8 Å²	71.8	62%	0.622	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-29.3	179.7	-69	-174.7	179.5	-175.3	0	113.6	V147	V147-K247 HydrophobicContact CG1-CB 3.74Å; V147-K247 HydrophobicContact CG1-CD 4.1Å; V147-K247 HydrophobicContact CG1-CG 4.46Å; V147-K247 WeakPolarHBondContact O-CB 3.13Å
248	D	62.8	Low	80.3	Confident	114 Å²	114	76.2 Å²	76.2	61%	0.61	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	6.5	-178.1	-58.4	-46.2	0	0	0	113.2	I211 G246	I211-D248 HydrophobicContact CD1-CB 3.65Å; I211-D248 WeakPolarHBondContact CD1-O 3.19Å; G246-D248 PolarHBondContact O-N 3.24Å
249	G	69.2	Low	79.2	Confident	26 Å²	26	75 Å²	75	27%	0.268	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	111.9	-150.2	-179.1	0	0	0	0	0	113.7	Y245 G246 E251	Y245-G249 CarbonylContact C-O 3.53Å; Y245-G249 WeakPolarHBondContact CA-O 3.31Å; G246-G249 PolarHBondContact N-O 3.43Å; G246-G249 PolarHBondContact O-N 3.39Å; G249-E251 PolarHBondContact O-N 3.41Å
250	L	77.9	Confident	78.6	Confident	8 Å²	8	75.1 Å²	75.1	4%	0.042	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	121.3	-177.4	-178.7	71.6	0	0	0	111.2	I211 L235 P243 Y245 R252 I277 Y279	I211-L250 HydrophobicContact CG2-CB 3.97Å; I211-L250 WeakPolarHBondContact CG2-O 3Å; L235-L250 HydrophobicContact CD1-CD1 3.99Å; L235-L250 HydrophobicContact CD1-CD2 3.73Å; L235-L250 HydrophobicContact CD1-CG 4.46Å; P243-L250 HydrophobicContact CB-CD1 3.81Å; Y245-L250 HydrophobicContact CD1-CB 4.16Å; Y245-L250 HydrophobicContact CD1-CD1 4.44Å; Y245-L250 HydrophobicContact CE1-CB 3.96Å; Y245-L250 HydrophobicContact CE1-CD1 3.96Å; L250-R252 PolarHBondContact O-N 3.16Å; L250-R252 VanDerWaalsContact O-N 3.1Å; L250-I277 HydrophobicContact CD2-CD1 4.3Å; L250-Y279 HydrophobicContact CD1-CD2 4.17Å; L250-Y279 HydrophobicContact CD1-CG 4.15Å; L250-Y279 HydrophobicContact CD2-CD1 4.17Å; L250-Y279 HydrophobicContact CD2-CG 4.1Å; L250-Y279 HydrophobicContact CG-CG 4.35Å
251	E	85.1	Confident	77.8	Confident	55 Å²	55	68.6 Å²	68.6	26%	0.257	36%	0.36	S	S	.	.			trans	-73.3	107.5	-178.1	-76.1	-69.4	-169.8	0	0	111	K244 G246 G249 A261 Y279 C280	K244-E251 HydrophobicContact CD-CG 4.46Å; K244-E251 HydrophobicContact CG-CB 4.46Å; K244-E251 HydrophobicContact CG-CG 4.29Å; K244-E251 PolarHBondContact O-N 2.82Å; G246-E251 WeakPolarHBondContact CA-OE1 3.41Å; G249-E251 PolarHBondContact O-N 3.41Å; E251-A261 HydrophobicContact CB-CB 4.21Å; E251-A261 HydrophobicContact CG-CB 4.41Å; E251-A261 WeakPolarHBondContact OE2-CB 3.33Å; E251-Y279 CarbonylContact O-C 3.53Å; E251-Y279 VanDerWaalsContact O-CA 3.24Å; E251-Y279 WeakPolarHBondContact O-CA 3.26Å; E251-Y279 WeakPolarHBondContact O-CB 3.3Å; E251-C280 HydrophobicContact CB-CB 4.09Å; E251-C280 PolarHBondContact O-N 3.42Å
252	R	82.1	Confident	77.4	Confident	56 Å²	56	67.7 Å²	67.7	21%	0.211	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-76.7	146.1	177.7	-69.1	-83.2	-128.2	-120.6	-7.7	110.2	S213 L250 S259 Y278	S213-R252 PolarHBondContact O-NH2 2.96Å; L250-R252 PolarHBondContact O-N 3.16Å; L250-R252 VanDerWaalsContact O-N 3.1Å; R252-S259 PolarHBondContact O-OG 2.03Å; R252-Y278 WeakPolarHBondContact CD-O 3.24Å
253	C	84.6	Confident	77	Confident	8 Å²	8	68.8 Å²	68.8	5%	0.054	36%	0.364	C	S	.	.			trans	-134.6	164.6	176.2	63.9	0	0	0	0	111.3	C262 C269 Y278 Y279	C253-C262 WeakPolarHBondContact CB-SG 3.36Å; C253-C269 HydrophobicContact CB-CB 3.87Å; C253-C269 WeakPolarHBondContact CB-SG 3.21Å; C253-C269 WeakPolarHBondContact SG-CA 3.16Å; C253-C269 WeakPolarHBondContact SG-CB 3.37Å; C253-C269 CovalentContact SG-SG 2.03Å; C253-C269 PolarHBondContact SG-SG 3Å; C253-Y278 PolarHBondContact N-O 3.04Å; C253-Y278 VanDerWaalsContact N-O 3.16Å; C253-Y278 WeakPolarHBondContact O-CB 3.39Å; C253-Y279 VanDerWaalsContact SG-CA 3.57Å; C253-Y279 PolarHBondContact SG-N 3.28Å; C253-Y279 VanDerWaalsContact SG-N 3.41Å; C253-Y279 PolarHBondContact SG-O 2.03Å; C253-Y279 VanDerWaalsContact SG-O 3.42Å
254	N	78.9	Confident	76.2	Confident	53 Å²	53	75.1 Å²	75.1	28%	0.283	40%	0.396	S	S	.	.	B	Isolated β-bridge	trans	-123.8	128	171.4	-173.7	-54.6	0	0	0	107.3	H256 K257	N254-H256 PolarHBondContact O-N 3.42Å; N254-H256 WeakPolarHBondContact OD1-CA 3.31Å; N254-H256 WeakPolarHBondContact OD1-CB 3.05Å; N254-H256 PolarHBondContact OD1-N 3.41Å; N254-K257 HydrophobicContact CB-CB 4.36Å; N254-K257 PolarHBondContact O-N 2.84Å
255	P	82.3	Confident	75.4	Confident	61 Å²	61	77.8 Å²	77.8	40%	0.396	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-18.9	-177.7	30.3	-38.5	0	0	0	113.1	Y278	P255-Y278 HydrophobicContact CB-CD1 4.38Å; P255-Y278 HydrophobicContact CB-CE1 4.02Å; P255-Y278 HydrophobicContact CG-CD1 4Å; P255-Y278 HydrophobicContact CG-CD2 4.38Å; P255-Y278 HydrophobicContact CG-CE1 3.55Å; P255-Y278 HydrophobicContact CG-CE2 4.02Å; P255-Y278 HydrophobicContact CG-CG 4.39Å
256	H	79.1	Confident	75.4	Confident	169 Å²	169	79 Å²	79	78%	0.782	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-6.6	-177.6	-59.5	-64.2	0	0	0	113.8	N254	N254-H256 PolarHBondContact O-N 3.42Å; N254-H256 WeakPolarHBondContact OD1-CA 3.31Å; N254-H256 WeakPolarHBondContact OD1-CB 3.05Å; N254-H256 PolarHBondContact OD1-N 3.41Å
257	K	75.6	Confident	76.1	Confident	158 Å²	158	78.7 Å²	78.7	69%	0.687	43%	0.431	S	S	*	.	B	Isolated β-bridge	trans	-133.5	135.8	177.6	-71.2	-177.6	178.5	178.1	0	108.9	N254 S259	N254-K257 HydrophobicContact CB-CB 4.36Å; N254-K257 PolarHBondContact O-N 2.84Å; K257-S259 PolarHBondContact O-N 2.83Å
258	V	68.3	Low	77.3	Confident	119 Å²	119	75 Å²	75	72%	0.721	42%	0.42	S	S	*	.			trans	-57.7	109.4	173	179.6	0	0	0	0	108	P260 L264	V258-P260 WeakPolarHBondContact O-CD 3Å; V258-L264 HydrophobicContact CG1-CD1 3.69Å
259	S	67.1	Low	78.6	Confident	26 Å²	26	71.6 Å²	71.6	18%	0.182	41%	0.405	C	S	.	.			trans	-85.3	114.6	176.7	-166	0	0	0	0	107.8	R252 K257 A261 C262	R252-S259 PolarHBondContact O-OG 2.03Å; K257-S259 PolarHBondContact O-N 2.83Å; S259-A261 PolarHBondContact O-N 3.16Å; S259-A261 VanDerWaalsContact O-N 3.07Å; S259-C262 PolarHBondContact O-N 2.72Å
260	P	71.8	Confident	79.6	Confident	129 Å²	129	73.9 Å²	73.9	84%	0.838	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-18.5	177.9	23.5	-31.6	0	0	0	112.8	V258	V258-P260 WeakPolarHBondContact O-CD 3Å
261	A	69.6	Low	80.2	Confident	19 Å²	19	77.2 Å²	77.2	16%	0.157	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-36.6	172.7	0	0	0	0	0	113.8	K244 E251 S259	K244-A261 PolarHBondContact NZ-O 2.94Å; E251-A261 HydrophobicContact CB-CB 4.21Å; E251-A261 HydrophobicContact CG-CB 4.41Å; E251-A261 WeakPolarHBondContact OE2-CB 3.33Å; S259-A261 PolarHBondContact O-N 3.16Å; S259-A261 VanDerWaalsContact O-N 3.07Å
262	C	83	Confident	80.2	Confident	16 Å²	16	74.9 Å²	74.9	11%	0.108	41%	0.409	C	S	.	.	S	Bend	trans	-88.1	121.6	174	-68.3	0	0	0	0	108.6	C253 S259 L264 D267 C280	C253-C262 WeakPolarHBondContact CB-SG 3.36Å; S259-C262 PolarHBondContact O-N 2.72Å; C262-L264 PolarHBondContact O-N 3.14Å; C262-L264 VanDerWaalsContact O-N 3.16Å; C262-D267 WeakPolarHBondContact CA-OD2 3.38Å; C262-D267 HydrophobicContact CB-CB 3.98Å; C262-C280 WeakPolarHBondContact CA-SG 3.35Å; C262-C280 HydrophobicContact CB-CB 4.13Å; C262-C280 WeakPolarHBondContact CB-SG 3.24Å; C262-C280 PolarHBondContact N-SG 2.68Å; C262-C280 VanDerWaalsContact SG-CA 3.57Å; C262-C280 WeakPolarHBondContact SG-CB 3.06Å; C262-C280 CovalentContact SG-SG 2.03Å; C262-C280 PolarHBondContact SG-SG 3.17Å
263	Q	80.9	Confident	80.2	Confident	107 Å²	107	82.1 Å²	82.1	50%	0.5	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-63.6	118.3	172.1	-82.5	-176.8	4.4	0	0	109.6	G265 K266 D267	Q263-G265 PolarHBondContact O-N 3.17Å; Q263-K266 HydrophobicContact CB-CB 4.27Å; Q263-K266 PolarHBondContact O-N 2.97Å; Q263-K266 VanDerWaalsContact O-N 3.14Å; Q263-D267 PolarHBondContact N-OD2 3.46Å; Q263-D267 PolarHBondContact O-N 3.45Å
264	L	71.6	Confident	79.9	Confident	151 Å²	151	86 Å²	86	79%	0.791	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	119.9	-179.2	-143.6	81.2	0	0	0	110.1	V258 C262	V258-L264 HydrophobicContact CG1-CD1 3.69Å; C262-L264 PolarHBondContact O-N 3.14Å; C262-L264 VanDerWaalsContact O-N 3.16Å
265	G	71.3	Confident	79.9	Confident	83 Å²	83	83.6 Å²	83.6	86%	0.856	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.9	0.1	177.2	0	0	0	0	0	116.3	Q263	Q263-G265 PolarHBondContact O-N 3.17Å
266	K	82.6	Confident	79.6	Confident	131 Å²	131	88.3 Å²	88.3	57%	0.57	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.8	-35.5	172	-72.9	-173.6	175.8	-174.2	0	112.9	Q263	Q263-K266 HydrophobicContact CB-CB 4.27Å; Q263-K266 PolarHBondContact O-N 2.97Å; Q263-K266 VanDerWaalsContact O-N 3.14Å
267	D	89.9	Confident	79.5	Confident	21 Å²	21	80.9 Å²	80.9	11%	0.112	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	147.2	-178	-55.8	-16.9	0	0	0	110.7	K244 C262 Q263 C280 C281 E282	K244-D267 WeakPolarHBondContact CD-OD2 3.39Å; K244-D267 WeakPolarHBondContact CE-OD2 3.31Å; K244-D267 IonicContact NZ-OD2 2.68Å; K244-D267 PolarHBondContact NZ-OD2 3.45Å; C262-D267 WeakPolarHBondContact CA-OD2 3.38Å; C262-D267 HydrophobicContact CB-CB 3.98Å; Q263-D267 PolarHBondContact N-OD2 3.46Å; Q263-D267 PolarHBondContact O-N 3.45Å; D267-C280 HydrophobicContact CB-CB 4.43Å; D267-C281 CarbonylContact C-O 3.52Å; D267-C281 VanDerWaalsContact CA-O 3.26Å; D267-C281 WeakPolarHBondContact CA-O 3.14Å; D267-E282 WeakPolarHBondContact OD1-CB 3.47Å
268	T	89.3	Confident	80	Confident	65 Å²	65	76.8 Å²	76.8	40%	0.399	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	128.8	171.8	-67.1	0	0	0	0	110.1	Y270 C281	T268-Y270 PolarHBondContact O-N 3.43Å; T268-C281 PolarHBondContact N-O 3.24Å; T268-C281 PolarHBondContact O-N 2.79Å
269	C	90.2	Very high	80.9	Confident	42 Å²	42	71.1 Å²	71.1	28%	0.284	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	103	171.1	-175.5	0	0	0	0	109.8	C253	C253-C269 HydrophobicContact CB-CB 3.87Å; C253-C269 WeakPolarHBondContact CB-SG 3.21Å; C253-C269 WeakPolarHBondContact SG-CA 3.16Å; C253-C269 WeakPolarHBondContact SG-CB 3.37Å; C253-C269 CovalentContact SG-SG 2.03Å; C253-C269 PolarHBondContact SG-SG 3Å
270	Y	90.9	Very high	82	Confident	75 Å²	75	69.9 Å²	69.9	29%	0.294	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	141	-173.6	-177.4	-102.7	0	0	0	111.8	T236 P238 T268 Y278 Y279 C281	T236-Y270 WeakPolarHBondContact O-CD1 3.42Å; T236-Y270 WeakPolarHBondContact O-CE1 3.39Å; P238-Y270 HydrophobicContact CG-CD2 3.88Å; P238-Y270 HydrophobicContact CG-CE2 4.18Å; T268-Y270 PolarHBondContact O-N 3.43Å; Y270-Y278 VanDerWaalsContact O-CA 3.31Å; Y270-Y278 WeakPolarHBondContact O-CA 3.02Å; Y270-Y279 HydrophobicContact CD1-CE1 4.49Å; Y270-Y279 HydrophobicContact CD1-CE2 4.12Å; Y270-Y279 AromaticContact CD1-CZ 3.83Å; Y270-Y279 PolarHBondContact N-O 2.89Å; Y270-Y279 PolarHBondContact O-N 3.38Å; Y270-C281 WeakPolarHBondContact CB-SG 3.45Å
271	F	89.5	Confident	83	Confident	77 Å²	77	63.8 Å²	63.8	34%	0.338	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	118.5	176.3	-175.2	-116.8	0	0	0	111.3	R273 R276 I277 Y278	F271-R273 HydrophobicContact CE1-CB 4.4Å; F271-R276 VanDerWaalsContact CE2-C 3.49Å; F271-R276 HydrophobicContact CE2-CB 4.37Å; F271-R276 HydrophobicContact CZ-CB 4.15Å; F271-R276 HydrophobicContact CZ-CG 4.42Å; F271-I277 WeakPolarHBondContact CD2-O 3.44Å; F271-Y278 HydrophobicContact CB-CD1 3.8Å; F271-Y278 HydrophobicContact CB-CE1 3.47Å; F271-Y278 VanDerWaalsContact CB-CE1 3.47Å; F271-Y278 AromaticContact CD2-CD1 3.97Å; F271-Y278 HydrophobicContact CD2-CD1 3.97Å; F271-Y278 AromaticContact CD2-CD2 3.7Å; F271-Y278 HydrophobicContact CD2-CD2 3.7Å; F271-Y278 AromaticContact CD2-CE1 3.74Å; F271-Y278 HydrophobicContact CD2-CE1 3.74Å; F271-Y278 AromaticContact CD2-CE2 3.42Å; F271-Y278 HydrophobicContact CD2-CE2 3.42Å; F271-Y278 VanDerWaalsContact CD2-CE2 3.42Å; F271-Y278 AromaticContact CD2-CG 3.95Å; F271-Y278 HydrophobicContact CD2-CG 3.95Å; F271-Y278 AromaticContact CD2-CZ 3.43Å; F271-Y278 VanDerWaalsContact CD2-CZ 3.43Å; F271-Y278 HydrophobicContact CE2-CD2 4.2Å; F271-Y278 AromaticContact CE2-CE2 3.8Å; F271-Y278 HydrophobicContact CE2-CE2 3.8Å; F271-Y278 HydrophobicContact CG-CD1 4.34Å; F271-Y278 AromaticContact CG-CE1 3.9Å; F271-Y278 HydrophobicContact CG-CE1 3.9Å; F271-Y278 HydrophobicContact CG-CE2 4.3Å; F271-Y278 AromaticContact CG-CZ 3.84Å
272	N	85.7	Confident	84.1	Confident	6 Å²	6	65.4 Å²	65.4	3%	0.032	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	116.1	170	-175.2	-51.9	0	0	0	110	N274 Y275 R276 I277 Y279	N272-N274 VanDerWaalsContact C-N 3.35Å; N272-N274 PolarHBondContact O-N 2.61Å; N272-N274 WeakPolarHBondContact OD1-CB 3.29Å; N272-N274 PolarHBondContact OD1-N 3.25Å; N272-Y275 PolarHBondContact OD1-N 3.4Å; N272-Y275 VanDerWaalsContact OD1-N 3.17Å; N272-R276 VanDerWaalsContact O-CA 3.24Å; N272-R276 WeakPolarHBondContact O-CA 3.03Å; N272-R276 PolarHBondContact O-N 3.2Å; N272-I277 HydrophobicContact CB-CG1 4.43Å; N272-I277 PolarHBondContact N-O 2.83Å; N272-I277 PolarHBondContact O-N 2.79Å; N272-Y279 HydrophobicContact CB-CE1 3.51Å; N272-Y279 PolarHBondContact ND2-OH 2.64Å
273	R	81.7	Confident	84.3	Confident	209 Å²	209	70.7 Å²	70.7	79%	0.789	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-30.5	-176	-168.8	176.9	-179	-179.6	0.3	113.6	F271	F271-R273 HydrophobicContact CE1-CB 4.4Å
274	N	79.2	Confident	84.3	Confident	89 Å²	89	68.2 Å²	68.2	48%	0.476	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-45.6	-178.2	-66.3	-17.7	0	0	0	110.6	L184 N272	L184-N274 HydrophobicContact CD2-CB 3.96Å; N272-N274 VanDerWaalsContact C-N 3.35Å; N272-N274 PolarHBondContact O-N 2.61Å; N272-N274 WeakPolarHBondContact OD1-CB 3.29Å; N272-N274 PolarHBondContact OD1-N 3.25Å
275	Y	77.5	Confident	84.1	Confident	2 Å²	2	67.5 Å²	67.5	1%	0.008	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-10.5	-178.3	-60.4	-53.7	0	0	0	113.8	L187 F214 I230 S231 E234 L235 N272 I277	L187-Y275 HydrophobicContact CD1-CE1 3.9Å; F214-Y275 AromaticContact CD1-CD1 3.63Å; F214-Y275 HydrophobicContact CD1-CD1 3.63Å; F214-Y275 HydrophobicContact CD1-CE1 4.32Å; F214-Y275 HydrophobicContact CD1-CG 4.36Å; F214-Y275 HydrophobicContact CD2-CD1 4.43Å; F214-Y275 WeakPolarHBondContact CD2-O 3.35Å; F214-Y275 AromaticContact CE1-CD1 3.44Å; F214-Y275 HydrophobicContact CE1-CD1 3.44Å; F214-Y275 VanDerWaalsContact CE1-CD1 3.44Å; F214-Y275 AromaticContact CE1-CE1 3.84Å; F214-Y275 HydrophobicContact CE1-CE1 3.84Å; F214-Y275 HydrophobicContact CE2-CD1 4.28Å; F214-Y275 HydrophobicContact CG-CD1 4.14Å; F214-Y275 AromaticContact CZ-CD1 3.79Å; F214-Y275 HydrophobicContact CZ-CD1 3.79Å; F214-Y275 HydrophobicContact CZ-CE1 4.3Å; I230-Y275 HydrophobicContact CG2-CD2 3.86Å; I230-Y275 HydrophobicContact CG2-CE1 4.47Å; I230-Y275 HydrophobicContact CG2-CE2 3.75Å; I230-Y275 HydrophobicContact CG2-CG 4.28Å; S231-Y275 VanDerWaalsContact CB-OH 3.29Å; S231-Y275 WeakPolarHBondContact CB-OH 3.46Å; S231-Y275 PolarHBondContact N-OH 3.02Å; S231-Y275 PolarHBondContact O-OH 3.34Å; E234-Y275 HydrophobicContact CB-CE2 4.04Å; E234-Y275 WeakPolarHBondContact CB-OH 3.41Å; E234-Y275 PolarHBondContact OE2-OH 3.29Å; L235-Y275 HydrophobicContact CD2-CD2 3.89Å; L235-Y275 HydrophobicContact CD2-CE2 4.1Å; N272-Y275 PolarHBondContact OD1-N 3.4Å; N272-Y275 VanDerWaalsContact OD1-N 3.17Å; Y275-I277 VanDerWaalsContact C-N 3.31Å; Y275-I277 PolarHBondContact O-N 2.03Å
276	R	77.1	Confident	83.3	Confident	160 Å²	160	70 Å²	70	60%	0.604	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	43.9	-176.9	-58	-172.2	-178.8	-176.6	2.5	113.6	F271 N272	F271-R276 VanDerWaalsContact CE2-C 3.49Å; F271-R276 HydrophobicContact CE2-CB 4.37Å; F271-R276 HydrophobicContact CZ-CB 4.15Å; F271-R276 HydrophobicContact CZ-CG 4.42Å; N272-R276 VanDerWaalsContact O-CA 3.24Å; N272-R276 WeakPolarHBondContact O-CA 3.03Å; N272-R276 PolarHBondContact O-N 3.2Å
277	I	77.3	Confident	81.9	Confident	14 Å²	14	67.6 Å²	67.6	7%	0.072	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	152.7	-179.4	56.1	170.9	0	0	0	110.2	F214 I230 L235 L250 F271 N272 Y275 Y279	F214-I277 HydrophobicContact CB-CG2 3.91Å; I230-I277 HydrophobicContact CD1-CD1 3.62Å; I230-I277 HydrophobicContact CG1-CD1 4.4Å; L235-I277 HydrophobicContact CD2-CD1 4.42Å; L250-I277 HydrophobicContact CD2-CD1 4.3Å; F271-I277 WeakPolarHBondContact CD2-O 3.44Å; N272-I277 HydrophobicContact CB-CG1 4.43Å; N272-I277 PolarHBondContact N-O 2.83Å; N272-I277 PolarHBondContact O-N 2.79Å; Y275-I277 VanDerWaalsContact C-N 3.31Å; Y275-I277 PolarHBondContact O-N 2.03Å; I277-Y279 HydrophobicContact CD1-CD1 4.03Å; I277-Y279 HydrophobicContact CD1-CE1 4.33Å; I277-Y279 HydrophobicContact CG1-CD1 4.11Å; I277-Y279 HydrophobicContact CG1-CE1 4.35Å
278	Y	85.7	Confident	79.6	Confident	72 Å²	72	77.6 Å²	77.6	28%	0.282	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	131.4	170.6	-73.6	-86.3	0	0	0	109.9	R252 C253 P255 Y270 F271	R252-Y278 WeakPolarHBondContact CD-O 3.24Å; C253-Y278 PolarHBondContact N-O 3.04Å; C253-Y278 VanDerWaalsContact N-O 3.16Å; C253-Y278 WeakPolarHBondContact O-CB 3.39Å; P255-Y278 HydrophobicContact CB-CD1 4.38Å; P255-Y278 HydrophobicContact CB-CE1 4.02Å; P255-Y278 HydrophobicContact CG-CD1 4Å; P255-Y278 HydrophobicContact CG-CD2 4.38Å; P255-Y278 HydrophobicContact CG-CE1 3.55Å; P255-Y278 HydrophobicContact CG-CE2 4.02Å; P255-Y278 HydrophobicContact CG-CG 4.39Å; Y270-Y278 VanDerWaalsContact O-CA 3.31Å; Y270-Y278 WeakPolarHBondContact O-CA 3.02Å; F271-Y278 HydrophobicContact CB-CD1 3.8Å; F271-Y278 HydrophobicContact CB-CE1 3.47Å; F271-Y278 VanDerWaalsContact CB-CE1 3.47Å; F271-Y278 AromaticContact CD2-CD1 3.97Å; F271-Y278 HydrophobicContact CD2-CD1 3.97Å; F271-Y278 AromaticContact CD2-CD2 3.7Å; F271-Y278 HydrophobicContact CD2-CD2 3.7Å; F271-Y278 AromaticContact CD2-CE1 3.74Å; F271-Y278 HydrophobicContact CD2-CE1 3.74Å; F271-Y278 AromaticContact CD2-CE2 3.42Å; F271-Y278 HydrophobicContact CD2-CE2 3.42Å; F271-Y278 VanDerWaalsContact CD2-CE2 3.42Å; F271-Y278 AromaticContact CD2-CG 3.95Å; F271-Y278 HydrophobicContact CD2-CG 3.95Å; F271-Y278 AromaticContact CD2-CZ 3.43Å; F271-Y278 VanDerWaalsContact CD2-CZ 3.43Å; F271-Y278 HydrophobicContact CE2-CD2 4.2Å; F271-Y278 AromaticContact CE2-CE2 3.8Å; F271-Y278 HydrophobicContact CE2-CE2 3.8Å; F271-Y278 HydrophobicContact CG-CD1 4.34Å; F271-Y278 AromaticContact CG-CE1 3.9Å; F271-Y278 HydrophobicContact CG-CE1 3.9Å; F271-Y278 HydrophobicContact CG-CE2 4.3Å; F271-Y278 AromaticContact CG-CZ 3.84Å
279	Y	86.5	Confident	79.1	Confident	0 Å²	0	78.3 Å²	78.3	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	157	174.5	55	-92.7	0	0	0	112	L235 T236 P243 L250 E251 C253 Y270 N272 I277	L235-Y279 HydrophobicContact CD2-CD1 4.41Å; L235-Y279 HydrophobicContact CD2-CE1 3.65Å; T236-Y279 PolarHBondContact N-OH 2.83Å; T236-Y279 PolarHBondContact O-OH 3.35Å; P243-Y279 HydrophobicContact CB-CD2 4.23Å; P243-Y279 HydrophobicContact CB-CE2 4.13Å; P243-Y279 HydrophobicContact CG-CE2 4.22Å; L250-Y279 HydrophobicContact CD1-CD2 4.17Å; L250-Y279 HydrophobicContact CD1-CG 4.15Å; L250-Y279 HydrophobicContact CD2-CD1 4.17Å; L250-Y279 HydrophobicContact CD2-CG 4.1Å; L250-Y279 HydrophobicContact CG-CG 4.35Å; E251-Y279 CarbonylContact O-C 3.53Å; E251-Y279 VanDerWaalsContact O-CA 3.24Å; E251-Y279 WeakPolarHBondContact O-CA 3.26Å; E251-Y279 WeakPolarHBondContact O-CB 3.3Å; C253-Y279 VanDerWaalsContact SG-CA 3.57Å; C253-Y279 PolarHBondContact SG-N 3.28Å; C253-Y279 VanDerWaalsContact SG-N 3.41Å; C253-Y279 PolarHBondContact SG-O 2.03Å; C253-Y279 VanDerWaalsContact SG-O 3.42Å; Y270-Y279 HydrophobicContact CD1-CE1 4.49Å; Y270-Y279 HydrophobicContact CD1-CE2 4.12Å; Y270-Y279 AromaticContact CD1-CZ 3.83Å; Y270-Y279 PolarHBondContact N-O 2.89Å; Y270-Y279 PolarHBondContact O-N 3.38Å; N272-Y279 HydrophobicContact CB-CE1 3.51Å; N272-Y279 PolarHBondContact ND2-OH 2.64Å; I277-Y279 HydrophobicContact CD1-CD1 4.03Å; I277-Y279 HydrophobicContact CD1-CE1 4.33Å; I277-Y279 HydrophobicContact CG1-CD1 4.11Å; I277-Y279 HydrophobicContact CG1-CE1 4.35Å
280	C	91.2	Very high	78.5	Confident	0 Å²	0	80.2 Å²	80.2	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	129.1	178	-55.6	0	0	0	0	109.8	K244 E251 C262 D267	K244-C280 HydrophobicContact CB-CB 3.94Å; K244-C280 WeakPolarHBondContact CB-O 3.37Å; K244-C280 HydrophobicContact CD-CB 4.1Å; K244-C280 PolarHBondContact N-O 3.06Å; E251-C280 HydrophobicContact CB-CB 4.09Å; E251-C280 PolarHBondContact O-N 3.42Å; C262-C280 WeakPolarHBondContact CA-SG 3.35Å; C262-C280 HydrophobicContact CB-CB 4.13Å; C262-C280 WeakPolarHBondContact CB-SG 3.24Å; C262-C280 PolarHBondContact N-SG 2.68Å; C262-C280 VanDerWaalsContact SG-CA 3.57Å; C262-C280 WeakPolarHBondContact SG-CB 3.06Å; C262-C280 CovalentContact SG-SG 2.03Å; C262-C280 PolarHBondContact SG-SG 3.17Å; D267-C280 HydrophobicContact CB-CB 4.43Å
281	C	92.5	Very high	77.8	Confident	0 Å²	0	80.4 Å²	80.4	0%	0	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	120.3	166.8	-72.7	0	0	0	0	108	C237 M241 K242 D267 T268 Y270	C237-C281 HydrophobicContact CB-CB 3.74Å; C237-C281 WeakPolarHBondContact CB-SG 3.11Å; C237-C281 WeakPolarHBondContact SG-CB 3.44Å; C237-C281 CovalentContact SG-SG 2.03Å; C237-C281 PolarHBondContact SG-SG 2.93Å; M241-C281 HydrophobicContact CB-CB 4.09Å; M241-C281 HydrophobicContact SD-CB 4.06Å; K242-C281 CarbonylContact O-C 3.53Å; K242-C281 VanDerWaalsContact O-CA 3.3Å; K242-C281 WeakPolarHBondContact O-CA 3.27Å; D267-C281 CarbonylContact C-O 3.52Å; D267-C281 VanDerWaalsContact CA-O 3.26Å; D267-C281 WeakPolarHBondContact CA-O 3.14Å; T268-C281 PolarHBondContact N-O 3.24Å; T268-C281 PolarHBondContact O-N 2.79Å; Y270-C281 WeakPolarHBondContact CB-SG 3.45Å
282	E	92.2	Very high	77.1	Confident	53 Å²	53	80.6 Å²	80.6	25%	0.248	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	148.2	177.1	64.2	-175.5	163.4	0	0	110.6	M241 K242 K244 D267	M241-E282 CarbonylContact C-O 3.58Å; M241-E282 WeakPolarHBondContact CA-O 3.41Å; M241-E282 WeakPolarHBondContact CB-O 3.35Å; K242-E282 WeakPolarHBondContact CE-OE1 3.16Å; K242-E282 HydrophobicContact CG-CG 3.82Å; K242-E282 PolarHBondContact N-O 2.88Å; K242-E282 PolarHBondContact O-N 3.35Å; K244-E282 HydrophobicContact CB-CB 4.15Å; K244-E282 HydrophobicContact CB-CG 4.08Å; K244-E282 HydrophobicContact CD-CB 4.39Å; K244-E282 HydrophobicContact CG-CB 4.38Å; K244-E282 HydrophobicContact CG-CG 4.39Å; D267-E282 WeakPolarHBondContact OD1-CB 3.47Å
283	E	87.6	Confident	76.6	Confident	127 Å²	127	85.3 Å²	85.3	59%	0.593	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.3	134.4	173	-72.5	-173.6	164.4	0	0	111.2	M241	M241-E283 HydrophobicContact CE-CG 3.48Å; M241-E283 VanDerWaalsContact CE-CG 3.48Å; M241-E283 HydrophobicContact CG-CG 4.37Å
284	V	81	Confident	76.3	Confident	56 Å²	56	77.1 Å²	77.1	34%	0.339	41%	0.408	S	S	.	.			trans	-89.1	107.5	169.3	-171.3	0	0	0	0	106.9	H240 K242	H240-V284 PolarHBondContact O-N 2.98Å; K242-V284 HydrophobicContact CB-CG2 3.79Å; K242-V284 HydrophobicContact CD-CG2 3.84Å; K242-V284 HydrophobicContact CG-CG2 3.7Å
285	L	67.2	Low	76.1	Confident	135 Å²	135	76.2 Å²	76.2	71%	0.707	40%	0.403	S	S	*	.			trans	-58.5	133.2	172.6	-73.2	168.6	0	0	0	108.6	G287	L285-G287 PolarHBondContact O-N 2.93Å
286	P	54.5	Low	75.9	Confident	136 Å²	136	81.9 Å²	81.9	88%	0.883	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	101.9	-179.6	24.7	-29	0	0	0	109.4
287	G	53.6	Low	75.9	Confident	80 Å²	80	75.4 Å²	75.4	83%	0.825	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	151.5	3.8	173.5	0	0	0	0	0	119.3	L285	L285-G287 PolarHBondContact O-N 2.93Å
288	E	41	Very low	75.7	Confident	232 Å²	232	81 Å²	81	100%	1.084	45%	0.451	S	S	*	.			trans	-98.9	0	170	-83.1	-175.5	147.9	0	0	113

Retrieved 288 of 288 residues in 165.3 ms (Link to these results)

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