A0A077ZDA7_TRITR Loading...

Serine protease

AlphaFold DB , UniProt , Accession A0A077ZDA7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 295 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	44.7	Very low	44.2	Very low	241 Å²	241	159.4 Å²	159.4	100%	1.187	85%	0.85	S	S	*	*				0	117.7	0	-78.3	-175.4	-170.8	0	0	108.9
2	L	40.3	Very low	44.3	Very low	147 Å²	147	159.3 Å²	159.3	77%	0.77	85%	0.848	S	S	*	*			trans	49.3	106	147.1	-91.8	67.6	0	0	0	120.7
3	K	42.1	Very low	44.7	Very low	183 Å²	183	154.4 Å²	154.4	80%	0.796	83%	0.834	S	S	*	*				76	88.2	101.1	-74.1	-173.9	-176.9	-176.7	0	112.9
4	L	42.3	Very low	45	Very low	171 Å²	171	152.1 Å²	152.1	90%	0.895	83%	0.829	S	S	*	*				69.4	101.7	93.4	-81	162.2	0	0	0	114
5	L	42.5	Very low	45	Very low	163 Å²	163	151.3 Å²	151.3	85%	0.853	82%	0.822	S	S	*	*			trans	-56.5	139	157.3	-67.3	147.4	0	0	0	110.7
6	S	45.7	Very low	44.9	Very low	123 Å²	123	151.3 Å²	151.3	86%	0.86	82%	0.82	S	S	*	*			trans	-156	105.8	145.5	-162.1	0	0	0	0	108.9
7	Q	47.3	Very low	44.5	Very low	165 Å²	165	154.9 Å²	154.9	77%	0.771	82%	0.819	S	S	*	*			trans	-69.7	141.1	173.8	-75.2	168.9	-18	0	0	109.7	V9	Q7-V9 PolarHBondContact O-N 3.03Å
8	C	41.3	Very low	44	Very low	132 Å²	132	155.6 Å²	155.6	89%	0.892	82%	0.817	S	S	*	*			trans	-54.5	105.7	167.2	-70.4	0	0	0	0	110.6
9	V	47.9	Very low	43.6	Very low	121 Å²	121	154 Å²	154	73%	0.733	81%	0.814	S	S	*	*			trans	-98.3	108.5	160.6	177.3	0	0	0	0	106.8	Q7 L11	Q7-V9 PolarHBondContact O-N 3.03Å; V9-L11 PolarHBondContact O-N 3.1Å; V9-L11 VanDerWaalsContact O-N 3.09Å
10	I	47.9	Very low	43.3	Very low	151 Å²	151	152 Å²	152	77%	0.774	81%	0.808	S	S	*	*			trans	-66.4	103.5	169.7	-63.8	170.9	0	0	0	106.6	L12	I10-L12 PolarHBondContact O-N 3.09Å; I10-L12 VanDerWaalsContact O-N 3.1Å
11	L	43.8	Very low	42.8	Very low	156 Å²	156	150.2 Å²	150.2	82%	0.817	80%	0.803	S	S	*	*			trans	-70.8	96.5	169.3	-90.1	152.8	0	0	0	108.5	V9 S13	V9-L11 PolarHBondContact O-N 3.1Å; V9-L11 VanDerWaalsContact O-N 3.09Å; L11-S13 VanDerWaalsContact C-N 3.32Å; L11-S13 PolarHBondContact O-N 3.19Å; L11-S13 VanDerWaalsContact O-N 3.07Å
12	L	46.1	Very low	42.3	Very low	159 Å²	159	144.2 Å²	144.2	83%	0.832	78%	0.782	S	S	*	*			trans	-67.5	95.3	157.1	-88	154.2	0	0	0	107.4	I10 T14	I10-L12 PolarHBondContact O-N 3.09Å; I10-L12 VanDerWaalsContact O-N 3.1Å; L12-T14 PolarHBondContact O-N 3.07Å
13	S	49.5	Very low	42.4	Very low	95 Å²	95	146 Å²	146	66%	0.664	78%	0.784	S	S	*	*			trans	-62.9	114.6	170.2	55.7	0	0	0	0	109.1	L11 L15	L11-S13 VanDerWaalsContact C-N 3.32Å; L11-S13 PolarHBondContact O-N 3.19Å; L11-S13 VanDerWaalsContact O-N 3.07Å; S13-L15 PolarHBondContact O-N 2.96Å; S13-L15 VanDerWaalsContact O-N 3.14Å
14	T	49.2	Very low	42.7	Very low	123 Å²	123	145.8 Å²	145.8	76%	0.755	78%	0.778	S	S	*	*			trans	-61.1	108.4	167.5	39	0	0	0	0	109.4	L12 L16	L12-T14 PolarHBondContact O-N 3.07Å; T14-L16 PolarHBondContact O-N 3.14Å
15	L	45.1	Very low	43.1	Very low	139 Å²	139	141.3 Å²	141.3	73%	0.728	76%	0.758	S	S	*	*			trans	-69	87.3	159.5	-103.6	86.7	0	0	0	107.8	S13 W17	S13-L15 PolarHBondContact O-N 2.96Å; S13-L15 VanDerWaalsContact O-N 3.14Å; L15-W17 VanDerWaalsContact C-N 3.34Å; L15-W17 PolarHBondContact O-N 2.92Å; L15-W17 VanDerWaalsContact O-N 3.12Å
16	L	43.5	Very low	43.9	Very low	151 Å²	151	136.3 Å²	136.3	79%	0.791	73%	0.728	S	S	*	*			trans	-72.6	95.2	159.8	-81.7	160.8	0	0	0	107.3	T14 Q18	T14-L16 PolarHBondContact O-N 3.14Å; L16-Q18 PolarHBondContact O-N 3.12Å
17	W	37.4	Very low	45.2	Very low	213 Å²	213	130.9 Å²	130.9	81%	0.807	69%	0.689	S	S	*	*			trans	-63.3	95.1	157.3	-83.2	68	0	0	0	107.1	L15 V19	L15-W17 VanDerWaalsContact C-N 3.34Å; L15-W17 PolarHBondContact O-N 2.92Å; L15-W17 VanDerWaalsContact O-N 3.12Å; W17-V19 VanDerWaalsContact C-N 3.28Å; W17-V19 PolarHBondContact O-N 2.81Å
18	Q	35.5	Very low	46.1	Very low	168 Å²	168	123 Å²	123	79%	0.785	65%	0.652	S	S	*	*			trans	-60.7	101.4	157.1	-83.5	-178.7	-23.5	0	0	106.4	L16 T20	L16-Q18 PolarHBondContact O-N 3.12Å; Q18-T20 PolarHBondContact O-N 2.94Å
19	V	36.7	Very low	47.8	Very low	125 Å²	125	121.4 Å²	121.4	76%	0.758	63%	0.63	S	S	*	*			trans	-64.2	86.4	161.7	179.8	0	0	0	0	105.9	W17 T21	W17-V19 VanDerWaalsContact C-N 3.28Å; W17-V19 PolarHBondContact O-N 2.81Å; V19-T21 PolarHBondContact O-N 3.05Å
20	T	37.6	Very low	48.5	Very low	114 Å²	114	117.2 Å²	117.2	70%	0.699	61%	0.605	S	S	*	*			trans	-67.3	103	165.3	51.6	0	0	0	0	106.2	Q18	Q18-T20 PolarHBondContact O-N 2.94Å
21	T	33.6	Very low	48.8	Very low	114 Å²	114	114.4 Å²	114.4	70%	0.699	59%	0.587	S	S	*	*			trans	-53.9	126.8	164.4	39.9	0	0	0	0	107.3	V19 K23	V19-T21 PolarHBondContact O-N 3.05Å; T21-K23 PolarHBondContact O-N 3.03Å
22	P	33.5	Very low	49.3	Very low	115 Å²	115	111.3 Å²	111.3	75%	0.747	57%	0.568	S	S	*	*			trans	-58.8	120.6	-179.5	20.9	-29.2	0	0	0	107.6	R24	P22-R24 VanDerWaalsContact C-N 3.32Å; P22-R24 PolarHBondContact O-N 2.91Å
23	K	42	Very low	49	Very low	185 Å²	185	113.6 Å²	113.6	80%	0.804	57%	0.567	S	S	*	*			trans	-55	98.9	171.6	-73.9	-174.7	178.4	-176.3	0	107	T21 T25	T21-K23 PolarHBondContact O-N 3.03Å; K23-T25 PolarHBondContact O-N 3.49Å
24	R	47.9	Very low	49	Very low	179 Å²	179	111 Å²	111	68%	0.675	54%	0.544	S	S	*	.			trans	-63.4	101.6	173.1	-91.5	-176.8	174.5	-175.3	-1.7	106.6	P22 Y26	P22-R24 VanDerWaalsContact C-N 3.32Å; P22-R24 PolarHBondContact O-N 2.91Å; R24-Y26 HydrophobicContact CB-CD2 4.23Å; R24-Y26 HydrophobicContact CB-CE1 4.14Å; R24-Y26 HydrophobicContact CB-CE2 3.62Å; R24-Y26 WeakPolarHBondContact CD-OH 3.33Å; R24-Y26 WeakPolarHBondContact O-CD2 3.43Å; R24-Y26 VanDerWaalsContact O-CE2 3.29Å; R24-Y26 WeakPolarHBondContact O-CE2 3.31Å; R24-Y26 PolarHBondContact O-N 2.78Å; R24-Y26 VanDerWaalsContact O-N 3.07Å
25	T	50.9	Low	48.6	Very low	76 Å²	76	111.2 Å²	111.2	47%	0.466	54%	0.541	S	S	.	.			trans	-69.1	102.7	167.1	34.1	0	0	0	0	108	K23 H27	K23-T25 PolarHBondContact O-N 3.49Å; T25-H27 VanDerWaalsContact C-N 3.3Å
26	Y	60.1	Low	48.3	Very low	58 Å²	58	112.1 Å²	112.1	23%	0.227	55%	0.546	C	S	.	.			trans	-78.7	-14.2	177.5	-67.1	-75.3	0	0	0	113.5	R24 G28 K29 F31 H158	R24-Y26 HydrophobicContact CB-CD2 4.23Å; R24-Y26 HydrophobicContact CB-CE1 4.14Å; R24-Y26 HydrophobicContact CB-CE2 3.62Å; R24-Y26 WeakPolarHBondContact CD-OH 3.33Å; R24-Y26 WeakPolarHBondContact O-CD2 3.43Å; R24-Y26 VanDerWaalsContact O-CE2 3.29Å; R24-Y26 WeakPolarHBondContact O-CE2 3.31Å; R24-Y26 PolarHBondContact O-N 2.78Å; R24-Y26 VanDerWaalsContact O-N 3.07Å; Y26-G28 PolarHBondContact O-N 3.45Å; Y26-K29 PolarHBondContact O-N 3.42Å; Y26-F31 HydrophobicContact CD1-CE1 4.16Å; Y26-F31 HydrophobicContact CD1-CE2 4.44Å; Y26-F31 AromaticContact CD1-CZ 3.5Å; Y26-F31 HydrophobicContact CD1-CZ 3.5Å; Y26-F31 VanDerWaalsContact CD1-CZ 3.5Å; Y26-F31 AromaticContact CE1-CE1 3.99Å; Y26-F31 HydrophobicContact CE1-CE1 3.99Å; Y26-F31 AromaticContact CE1-CZ 3.58Å; Y26-F31 HydrophobicContact CE1-CZ 3.58Å; Y26-H158 HydrophobicContact CD2-CB 4.12Å
27	H	72.4	Confident	48.2	Very low	9 Å²	9	107.6 Å²	107.6	4%	0.042	53%	0.526	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	116.9	-168.5	-161.1	84.7	0	0	0	113.3	T25 K29 Q76 P164 V165 C166	T25-H27 VanDerWaalsContact C-N 3.3Å; H27-K29 PolarHBondContact O-N 3.04Å; H27-Q76 PolarHBondContact CE1-O 3.05Å; H27-P164 WeakPolarHBondContact ND1-CG 3.44Å; H27-V165 PolarHBondContact CE1-O 3.34Å; H27-C166 PolarHBondContact CD2-SG 3.05Å; H27-C166 VanDerWaalsContact NE2-CA 3.31Å; H27-C166 WeakPolarHBondContact NE2-CA 3.47Å
28	G	67.3	Low	48.3	Very low	0 Å²	0	102.7 Å²	102.7	0%	0	52%	0.524	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	14.3	178.6	0	0	0	0	0	115.3	Y26 P164 R247 Y248	Y26-G28 PolarHBondContact O-N 3.45Å; G28-P164 PolarHBondContact N-O 3.47Å; G28-R247 CarbonylContact O-C 3.51Å; G28-R247 VanDerWaalsContact O-CA 3.29Å; G28-R247 WeakPolarHBondContact O-CA 3.26Å; G28-Y248 PolarHBondContact O-N 2.04Å
29	K	75.7	Confident	48.7	Very low	99 Å²	99	98 Å²	98	43%	0.43	50%	0.501	S	S	.	.			trans	-103.1	127.4	177.3	-69	-167.9	174.3	-168.9	0	110.8	Y26 H27	Y26-K29 PolarHBondContact O-N 3.42Å; H27-K29 PolarHBondContact O-N 3.04Å
30	T	62.7	Low	48.6	Very low	33 Å²	33	103 Å²	103	20%	0.202	51%	0.507	C	S	.	.			trans	-79	146.6	165.2	58.3	0	0	0	0	108.8	H32 F34 A53 F54 W56 Y248	T30-H32 WeakPolarHBondContact CB-O 3.23Å; T30-H32 PolarHBondContact OG1-O 2.81Å; T30-F34 HydrophobicContact CG2-CE2 4.02Å; T30-A53 WeakPolarHBondContact CB-O 3.4Å; T30-A53 WeakPolarHBondContact CG2-O 3.31Å; T30-F54 HydrophobicContact CG2-CD1 4.46Å; T30-W56 HydrophobicContact CG2-CH2 3.5Å; T30-W56 HydrophobicContact CG2-CZ2 3.9Å; T30-Y248 HydrophobicContact CG2-CD2 3.63Å; T30-Y248 HydrophobicContact CG2-CE2 3.49Å; T30-Y248 VanDerWaalsContact CG2-CE2 3.49Å
31	F	55.7	Low	48.2	Very low	91 Å²	91	99 Å²	99	40%	0.399	49%	0.488	S	S	.	.	S	Bend	trans	-79.8	-9.7	171.7	-67.3	-82.8	0	0	0	112.6	Y26 P55 P160	Y26-F31 HydrophobicContact CD1-CE1 4.16Å; Y26-F31 HydrophobicContact CD1-CE2 4.44Å; Y26-F31 AromaticContact CD1-CZ 3.5Å; Y26-F31 HydrophobicContact CD1-CZ 3.5Å; Y26-F31 VanDerWaalsContact CD1-CZ 3.5Å; Y26-F31 AromaticContact CE1-CE1 3.99Å; Y26-F31 HydrophobicContact CE1-CE1 3.99Å; Y26-F31 AromaticContact CE1-CZ 3.58Å; Y26-F31 HydrophobicContact CE1-CZ 3.58Å; F31-P55 HydrophobicContact CE2-CG 4.37Å; F31-P160 WeakPolarHBondContact CD2-O 3.49Å; F31-P160 VanDerWaalsContact CE2-CA 3.49Å; F31-P160 HydrophobicContact CE2-CB 4.36Å; F31-P160 WeakPolarHBondContact CE2-O 3.19Å; F31-P160 HydrophobicContact CZ-CB 4.28Å
32	H	53.6	Low	48	Very low	91 Å²	91	99.3 Å²	99.3	42%	0.421	48%	0.476	S	S	.	.	S	Bend	trans	-112.4	128.6	176.4	-66.8	-73.3	0	0	0	110.2	T30 A53	T30-H32 WeakPolarHBondContact CB-O 3.23Å; T30-H32 PolarHBondContact OG1-O 2.81Å; H32-A53 HydrophobicContact CB-CB 4.4Å
33	Y	40.2	Very low	48.7	Very low	208 Å²	208	93.9 Å²	93.9	82%	0.816	44%	0.441	S	S	*	.			trans	-78.8	116.2	170.9	-141.4	-89.2	0	0	0	108	N35	Y33-N35 WeakPolarHBondContact CD1-OD1 3Å; Y33-N35 PolarHBondContact O-N 3.07Å
34	F	49.6	Very low	49.1	Very low	41 Å²	41	85.8 Å²	85.8	18%	0.18	41%	0.407	C	S	.	.			trans	-87.9	86.8	175.6	-63.6	-78.5	0	0	0	108.8	T30 N36 F39 P50 A53 F54 M199	T30-F34 HydrophobicContact CG2-CE2 4.02Å; F34-N36 PolarHBondContact O-N 3.48Å; F34-F39 HydrophobicContact CD1-CZ 4.17Å; F34-P50 HydrophobicContact CE1-CG 3.94Å; F34-A53 HydrophobicContact CE2-CB 4.47Å; F34-A53 HydrophobicContact CZ-CB 3.72Å; F34-F54 HydrophobicContact CE1-CZ 4.34Å; F34-F54 AromaticContact CE2-CE1 3.97Å; F34-F54 HydrophobicContact CE2-CE1 3.97Å; F34-F54 AromaticContact CE2-CZ 3.83Å; F34-F54 HydrophobicContact CE2-CZ 3.83Å; F34-F54 HydrophobicContact CZ-CE1 4.06Å; F34-F54 AromaticContact CZ-CE2 3.96Å; F34-F54 HydrophobicContact CZ-CE2 3.96Å; F34-F54 AromaticContact CZ-CZ 3.47Å; F34-F54 HydrophobicContact CZ-CZ 3.47Å; F34-F54 VanDerWaalsContact CZ-CZ 3.47Å; F34-M199 HydrophobicContact CD1-CE 4.36Å; F34-M199 HydrophobicContact CE1-CE 4.12Å; F34-M199 HydrophobicContact CE1-SD 3.96Å; F34-M199 HydrophobicContact CZ-CE 4.49Å; F34-M199 HydrophobicContact CZ-SD 4.38Å
35	N	40.3	Very low	49.5	Very low	127 Å²	127	77.9 Å²	77.9	68%	0.679	38%	0.381	S	S	*	.			trans	-72.1	99.5	169.5	-85.7	-15.4	0	0	0	108.7	Y33 P37	Y33-N35 WeakPolarHBondContact CD1-OD1 3Å; Y33-N35 PolarHBondContact O-N 3.07Å; N35-P37 WeakPolarHBondContact O-CD 3.39Å; N35-P37 WeakPolarHBondContact O-CG 3.29Å; N35-P37 VanDerWaalsContact O-N 3.12Å
36	N	38.3	Very low	50.2	Low	157 Å²	157	74.3 Å²	74.3	84%	0.84	36%	0.359	S	S	*	.			trans	-2.6	94.4	167.7	-168.6	13.5	0	0	0	115.2	F34	F34-N36 PolarHBondContact O-N 3.48Å
37	P	40.7	Very low	51.3	Low	57 Å²	57	72.9 Å²	72.9	37%	0.37	36%	0.356	S	S	.	.			trans	-110.8	141.6	155.2	10.5	13.3	0	0	0	107.4	N35 F39	N35-P37 WeakPolarHBondContact O-CD 3.39Å; N35-P37 WeakPolarHBondContact O-CG 3.29Å; N35-P37 VanDerWaalsContact O-N 3.12Å; P37-F39 HydrophobicContact CB-CE1 4.44Å; P37-F39 HydrophobicContact CG-CD1 4.03Å; P37-F39 HydrophobicContact CG-CE1 3.5Å; P37-F39 HydrophobicContact CG-CE2 4.23Å; P37-F39 HydrophobicContact CG-CZ 3.62Å; P37-F39 WeakPolarHBondContact O-CD2 3.41Å; P37-F39 WeakPolarHBondContact O-CG 3.36Å; P37-F39 PolarHBondContact O-N 2.74Å
38	S	40.2	Very low	52.1	Low	110 Å²	110	77 Å²	77	77%	0.769	38%	0.376	S	S	*	.			trans	-46.8	92.2	154.8	41.5	0	0	0	0	110.3	R40	S38-R40 PolarHBondContact O-N 2.89Å
39	F	43.9	Very low	53.2	Low	69 Å²	69	77 Å²	77	30%	0.303	38%	0.376	S	S	.	.			trans	-80.2	102.6	-176.9	-68.6	-69.4	0	0	0	108.7	F34 P37 V47 M199	F34-F39 HydrophobicContact CD1-CZ 4.17Å; P37-F39 HydrophobicContact CB-CE1 4.44Å; P37-F39 HydrophobicContact CG-CD1 4.03Å; P37-F39 HydrophobicContact CG-CE1 3.5Å; P37-F39 HydrophobicContact CG-CE2 4.23Å; P37-F39 HydrophobicContact CG-CZ 3.62Å; P37-F39 WeakPolarHBondContact O-CD2 3.41Å; P37-F39 WeakPolarHBondContact O-CG 3.36Å; P37-F39 PolarHBondContact O-N 2.74Å; F39-V47 HydrophobicContact CB-CG1 4.19Å; F39-V47 HydrophobicContact CB-CG2 4.2Å; F39-V47 HydrophobicContact CD1-CG2 3.8Å; F39-V47 HydrophobicContact CG-CG2 4.27Å; F39-M199 HydrophobicContact CE2-CE 4.35Å; F39-M199 HydrophobicContact CZ-CE 4.43Å
40	R	33.9	Very low	53.9	Low	230 Å²	230	74.6 Å²	74.6	87%	0.868	37%	0.37	S	S	*	.			trans	-102.9	113.1	177	-72.7	-174.2	173.9	-172	-1.2	111.7	S38 V47	S38-R40 PolarHBondContact O-N 2.89Å; R40-V47 WeakPolarHBondContact O-CG1 3.37Å
41	G	31.2	Very low	55.3	Low	29 Å²	29	76.2 Å²	76.2	30%	0.299	38%	0.381	S	S	.	.	S	Bend	trans	99.7	143.9	145.8	0	0	0	0	0	119.5	G45 G46 V47 R198	G41-G45 WeakPolarHBondContact CA-O 3.42Å; G41-G45 PolarHBondContact N-O 3.44Å; G41-G46 CarbonylContact C-O 3.52Å; G41-G46 CarbonylContact O-C 3.57Å; G41-V47 WeakPolarHBondContact O-CA 3.31Å; G41-V47 PolarHBondContact O-N 2.71Å; G41-R198 PolarHBondContact O-NH2 3.5Å
42	R	27.8	Very low	57	Low	121 Å²	121	74.7 Å²	74.7	46%	0.457	38%	0.375	S	S	.	.				-120.1	110.3	-52.9	-62.6	-160.9	-177.3	156.1	6.8	117.5	G45 G46 T188 D189 R198	R42-G45 VanDerWaalsContact CA-C 3.49Å; R42-G46 CarbonylContact C-O 3.6Å; R42-G46 WeakPolarHBondContact CA-O 3.3Å; R42-G46 PolarHBondContact N-O 3.06Å; R42-T188 WeakPolarHBondContact O-CG2 3.35Å; R42-D189 WeakPolarHBondContact CD-OD2 3.13Å; R42-D189 IonicContact CZ-OD2 3.49Å; R42-D189 IonicContact NE-OD2 3.63Å; R42-D189 VanDerWaalsContact NH1-CB 3.29Å; R42-D189 IonicContact NH1-OD2 2.73Å; R42-D189 PolarHBondContact NH1-OD2 2.89Å; R42-R198 VanDerWaalsContact C-NE 3.29Å; R42-R198 PolarHBondContact O-NE 3.1Å; R42-R198 PolarHBondContact O-NH2 3.48Å
43	I	47.9	Very low	58.8	Low	2 Å²	2	70.4 Å²	70.4	1%	0.01	36%	0.355	C	S	.	.	S	Bend		-82.1	100.4	122.4	-73.1	-168.9	0	0	0	100.2	G45 G46 R198 V200 G230	I43-G45 CarbonylContact O-C 3.6Å; I43-G45 PolarHBondContact O-N 3.34Å; I43-G45 VanDerWaalsContact O-N 3.09Å; I43-G46 VanDerWaalsContact N-CA 3.28Å; I43-G46 PolarHBondContact N-O 2.85Å; I43-G46 PolarHBondContact O-N 3Å; I43-R198 HydrophobicContact CD1-CB 3.82Å; I43-R198 WeakPolarHBondContact CD1-O 3.01Å; I43-R198 HydrophobicContact CG1-CB 3.31Å; I43-R198 HydrophobicContact CG1-CG 4.43Å; I43-V200 HydrophobicContact CB-CB 4.18Å; I43-V200 HydrophobicContact CB-CG1 4.08Å; I43-V200 HydrophobicContact CG2-CG1 3.94Å; I43-G230 WeakPolarHBondContact CG2-O 3.49Å
44	V	50.9	Low	61.5	Low	15 Å²	15	60.8 Å²	60.8	9%	0.091	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	3.8	87.1	-148.6	-168.9	0	0	0	0	110	G228 G229 G230 C260	V44-G228 CarbonylContact C-O 3.39Å; V44-G228 VanDerWaalsContact C-O 3.23Å; V44-G228 WeakPolarHBondContact CG1-O 3.27Å; V44-G228 CarbonylContact O-C 3.46Å; V44-G229 WeakPolarHBondContact O-CA 3.41Å; V44-G230 PolarHBondContact O-N 3.42Å; V44-C260 HydrophobicContact CG2-CB 3.87Å
45	G	55.9	Low	63.7	Low	12 Å²	12	59 Å²	59	12%	0.124	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	101.9	-24.1	-167.9	0	0	0	0	0	119.8	G41 R42 I43	G41-G45 WeakPolarHBondContact CA-O 3.42Å; G41-G45 PolarHBondContact N-O 3.44Å; R42-G45 VanDerWaalsContact CA-C 3.49Å; I43-G45 CarbonylContact O-C 3.6Å; I43-G45 PolarHBondContact O-N 3.34Å; I43-G45 VanDerWaalsContact O-N 3.09Å
46	G	67	Low	66.4	Low	1 Å²	1	53 Å²	53	1%	0.01	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-91.5	147.4	176.5	0	0	0	0	0	122.7	G41 R42 I43 R198 M199	G41-G46 CarbonylContact C-O 3.52Å; G41-G46 CarbonylContact O-C 3.57Å; R42-G46 CarbonylContact C-O 3.6Å; R42-G46 WeakPolarHBondContact CA-O 3.3Å; R42-G46 PolarHBondContact N-O 3.06Å; I43-G46 VanDerWaalsContact N-CA 3.28Å; I43-G46 PolarHBondContact N-O 2.85Å; I43-G46 PolarHBondContact O-N 3Å; G46-R198 PolarHBondContact O-NE 2.78Å; G46-R198 PolarHBondContact O-NH2 2.58Å; G46-M199 CarbonylContact C-O 3.52Å; G46-M199 WeakPolarHBondContact CA-O 3.29Å
47	V	82.7	Confident	69.2	Low	29 Å²	29	45.8 Å²	45.8	18%	0.176	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	162.6	-177.4	-60.3	0	0	0	0	115.7	F39 R40 G41 A49 R198 M199	F39-V47 HydrophobicContact CB-CG1 4.19Å; F39-V47 HydrophobicContact CB-CG2 4.2Å; F39-V47 HydrophobicContact CD1-CG2 3.8Å; F39-V47 HydrophobicContact CG-CG2 4.27Å; R40-V47 WeakPolarHBondContact O-CG1 3.37Å; G41-V47 WeakPolarHBondContact O-CA 3.31Å; G41-V47 PolarHBondContact O-N 2.71Å; V47-A49 PolarHBondContact O-N 2.78Å; V47-R198 CarbonylContact O-C 2.74Å; V47-R198 VanDerWaalsContact O-CA 3.29Å; V47-R198 WeakPolarHBondContact O-CA 3.37Å; V47-M199 HydrophobicContact CG2-CG 3.76Å; V47-M199 HydrophobicContact CG2-SD 4.35Å; V47-M199 PolarHBondContact N-O 2.96Å; V47-M199 PolarHBondContact O-N 3.34Å
48	Q	88	Confident	72	Confident	96 Å²	96	43.1 Å²	43.1	45%	0.449	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	128.9	165.4	-178.7	-179.1	-47.4	0	0	108.5	A196	Q48-A196 HydrophobicContact CG-CB 4.01Å
49	A	90.7	Very high	74.7	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-66.9	146	175.9	0	0	0	0	0	110.1	V47 F54 H115 L197 M199	V47-A49 PolarHBondContact O-N 2.78Å; A49-F54 HydrophobicContact CB-CD2 4.05Å; A49-F54 HydrophobicContact CB-CE2 3.78Å; A49-H115 PolarHBondContact O-CE1 3.42Å; A49-L197 HydrophobicContact CB-CB 4.36Å; A49-L197 HydrophobicContact CB-CD2 4.24Å; A49-L197 HydrophobicContact CB-CG 4.16Å; A49-L197 WeakPolarHBondContact CB-O 3.41Å; A49-L197 PolarHBondContact N-O 3.49Å; A49-M199 HydrophobicContact CB-CB 4.41Å; A49-M199 HydrophobicContact CB-CG 4.32Å; A49-M199 HydrophobicContact CB-SD 4.37Å
50	P	91.1	Very high	77.3	Confident	47 Å²	47	34.8 Å²	34.8	31%	0.305	17%	0.172	S	C	.	.	P	Polyproline II helix	trans	-59.2	137.6	166	-19.8	31.6	0	0	0	109.7	F34 H52 A53	F34-P50 HydrophobicContact CE1-CG 3.94Å; P50-H52 PolarHBondContact O-N 2.83Å; P50-A53 HydrophobicContact CB-CB 4.1Å; P50-A53 HydrophobicContact CG-CB 4.43Å; P50-A53 WeakPolarHBondContact O-CB 3.44Å; P50-A53 PolarHBondContact O-N 2.81Å; P50-A53 VanDerWaalsContact O-N 3.14Å
51	P	91.3	Very high	80.2	Confident	68 Å²	68	26.1 Å²	26.1	44%	0.442	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	129.2	-179.6	-29.1	35	0	0	0	113	A53 H115	P51-A53 PolarHBondContact O-N 3.23Å; P51-A53 VanDerWaalsContact O-N 3.11Å; P51-H115 HydrophobicContact CB-CB 4.41Å
52	H	91.6	Very high	83.2	Confident	59 Å²	59	25.4 Å²	25.4	27%	0.273	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	16	177.3	-37.4	-67.3	0	0	0	116.1	P50 F54 G113 E122 S124 T161	P50-H52 PolarHBondContact O-N 2.83Å; H52-F54 PolarHBondContact O-N 3.3Å; H52-G113 PolarHBondContact ND1-O 3.2Å; H52-E122 IonicContact CE1-OE1 2.78Å; H52-E122 PolarHBondContact CE1-OE1 3.09Å; H52-E122 IonicContact ND1-OE1 2.63Å; H52-S124 PolarHBondContact CE1-OG 2.63Å; H52-T161 HydrophobicContact CB-CG2 3.76Å
53	A	92.8	Very high	86.3	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	-66	-18.9	178	0	0	0	0	0	114.1	T30 H32 F34 P50 P51 P55	T30-A53 WeakPolarHBondContact CB-O 3.4Å; T30-A53 WeakPolarHBondContact CG2-O 3.31Å; H32-A53 HydrophobicContact CB-CB 4.4Å; F34-A53 HydrophobicContact CE2-CB 4.47Å; F34-A53 HydrophobicContact CZ-CB 3.72Å; P50-A53 HydrophobicContact CB-CB 4.1Å; P50-A53 HydrophobicContact CG-CB 4.43Å; P50-A53 WeakPolarHBondContact O-CB 3.44Å; P50-A53 PolarHBondContact O-N 2.81Å; P50-A53 VanDerWaalsContact O-N 3.14Å; P51-A53 PolarHBondContact O-N 3.23Å; P51-A53 VanDerWaalsContact O-N 3.11Å; A53-P55 WeakPolarHBondContact O-CD 3.28Å
54	F	95.4	Very high	88.2	Confident	7 Å²	7	29.4 Å²	29.4	3%	0.031	16%	0.161	C	C	.	.			trans	-122	76.9	-178.3	-56.3	-75.8	0	0	0	110.7	T30 F34 A49 H52 W56 Q57 L181 I183 L197 M199 L241	T30-F54 HydrophobicContact CG2-CD1 4.46Å; F34-F54 HydrophobicContact CE1-CZ 4.34Å; F34-F54 AromaticContact CE2-CE1 3.97Å; F34-F54 HydrophobicContact CE2-CE1 3.97Å; F34-F54 AromaticContact CE2-CZ 3.83Å; F34-F54 HydrophobicContact CE2-CZ 3.83Å; F34-F54 HydrophobicContact CZ-CE1 4.06Å; F34-F54 AromaticContact CZ-CE2 3.96Å; F34-F54 HydrophobicContact CZ-CE2 3.96Å; F34-F54 AromaticContact CZ-CZ 3.47Å; F34-F54 HydrophobicContact CZ-CZ 3.47Å; F34-F54 VanDerWaalsContact CZ-CZ 3.47Å; A49-F54 HydrophobicContact CB-CD2 4.05Å; A49-F54 HydrophobicContact CB-CE2 3.78Å; H52-F54 PolarHBondContact O-N 3.3Å; F54-W56 AromaticContact CD1-CZ2 3.97Å; F54-W56 HydrophobicContact CD1-CZ2 3.97Å; F54-W56 PolarHBondContact O-N 3.5Å; F54-Q57 HydrophobicContact CB-CB 4.47Å; F54-Q57 WeakPolarHBondContact O-CB 3.48Å; F54-Q57 PolarHBondContact O-N 3.41Å; F54-Q57 VanDerWaalsContact O-N 3.07Å; F54-L181 HydrophobicContact CE1-CD1 4.46Å; F54-I183 HydrophobicContact CB-CD1 3.35Å; F54-I183 HydrophobicContact CD1-CD1 3.93Å; F54-I183 HydrophobicContact CD1-CG2 4.21Å; F54-I183 HydrophobicContact CD2-CD1 4.09Å; F54-I183 HydrophobicContact CD2-CG2 3.89Å; F54-I183 HydrophobicContact CE1-CG2 4.09Å; F54-I183 HydrophobicContact CE2-CG2 3.77Å; F54-I183 HydrophobicContact CG-CD1 3.53Å; F54-I183 HydrophobicContact CG-CG2 4.11Å; F54-I183 HydrophobicContact CZ-CG2 3.87Å; F54-L197 HydrophobicContact CB-CD2 4.48Å; F54-L197 HydrophobicContact CD2-CD2 4.17Å; F54-M199 HydrophobicContact CE2-CB 4.23Å; F54-M199 HydrophobicContact CE2-SD 3.81Å; F54-M199 HydrophobicContact CZ-CB 4.41Å; F54-M199 HydrophobicContact CZ-CE 3.91Å; F54-M199 HydrophobicContact CZ-SD 3.79Å; F54-L241 HydrophobicContact CD1-CD1 3.98Å; F54-L241 HydrophobicContact CE1-CD1 4.23Å
55	P	96.1	Very high	89.9	Confident	4 Å²	4	30.4 Å²	30.4	3%	0.026	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-7.9	-170.2	29.7	-37.7	0	0	0	114.3	F31 A53 T161 I162 G163	F31-P55 HydrophobicContact CE2-CG 4.37Å; A53-P55 WeakPolarHBondContact O-CD 3.28Å; P55-T161 WeakPolarHBondContact CA-O 3.06Å; P55-I162 WeakPolarHBondContact O-CA 3.19Å; P55-G163 CarbonylContact C-O 3.58Å; P55-G163 VanDerWaalsContact C-O 3.23Å; P55-G163 PolarHBondContact O-N 2.99Å
56	W	97.2	Very high	91.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-12.9	175	41.8	83	0	0	0	113.8	T30 F54 A58 S73 L74 G163 V165 L241 Y248	T30-W56 HydrophobicContact CG2-CH2 3.5Å; T30-W56 HydrophobicContact CG2-CZ2 3.9Å; F54-W56 AromaticContact CD1-CZ2 3.97Å; F54-W56 HydrophobicContact CD1-CZ2 3.97Å; F54-W56 PolarHBondContact O-N 3.5Å; W56-A58 PolarHBondContact O-N 2.89Å; W56-S73 CarbonylContact O-C 3.53Å; W56-S73 WeakPolarHBondContact O-CA 3.47Å; W56-L74 HydrophobicContact CB-CB 4.43Å; W56-L74 PolarHBondContact O-N 2.95Å; W56-G163 WeakPolarHBondContact CA-O 3.16Å; W56-G163 WeakPolarHBondContact CB-O 3.41Å; W56-G163 PolarHBondContact N-O 3.08Å; W56-V165 HydrophobicContact CB-CB 3.86Å; W56-V165 HydrophobicContact CB-CG1 4.24Å; W56-V165 HydrophobicContact CD2-CB 3.74Å; W56-V165 HydrophobicContact CD2-CG2 4.19Å; W56-V165 HydrophobicContact CE3-CB 4.13Å; W56-V165 HydrophobicContact CG-CB 3.63Å; W56-V165 HydrophobicContact CG-CG1 4.3Å; W56-V165 HydrophobicContact CG-CG2 4.39Å; W56-L241 HydrophobicContact CZ2-CD1 4.2Å; W56-Y248 HydrophobicContact CH2-CD2 4.06Å; W56-Y248 HydrophobicContact CH2-CG 4.34Å; W56-Y248 HydrophobicContact CZ2-CD2 4.21Å; W56-Y248 HydrophobicContact CZ2-CG 4.18Å
57	Q	97.7	Very high	92.3	Very high	6 Å²	6	38.5 Å²	38.5	3%	0.028	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	127.2	-174.9	-175.8	64.9	2.7	0	0	110.7	F54 I183 W185 L197 P239	F54-Q57 HydrophobicContact CB-CB 4.47Å; F54-Q57 WeakPolarHBondContact O-CB 3.48Å; F54-Q57 PolarHBondContact O-N 3.41Å; F54-Q57 VanDerWaalsContact O-N 3.07Å; Q57-I183 HydrophobicContact CB-CD1 3.86Å; Q57-I183 HydrophobicContact CG-CD1 4.11Å; Q57-I183 HydrophobicContact CG-CG1 4.49Å; Q57-I183 PolarHBondContact NE2-O 2.88Å; Q57-I183 VanDerWaalsContact OE1-CD1 3.26Å; Q57-I183 VanDerWaalsContact OE1-CG1 3.28Å; Q57-W185 HydrophobicContact CB-CH2 4.5Å; Q57-W185 HydrophobicContact CG-CH2 3.46Å; Q57-W185 VanDerWaalsContact CG-CH2 3.46Å; Q57-W185 HydrophobicContact CG-CZ2 4.26Å; Q57-W185 HydrophobicContact CG-CZ3 3.64Å; Q57-L197 HydrophobicContact CB-CD2 4.38Å; Q57-L197 HydrophobicContact CG-CD1 3.86Å; Q57-L197 HydrophobicContact CG-CD2 4.21Å; Q57-P239 VanDerWaalsContact OE1-CD 3.25Å
58	A	98.3	Very high	92.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	135	178.3	0	0	0	0	0	110.6	W56 G71 G72 I87 V110 L112	W56-A58 PolarHBondContact O-N 2.89Å; A58-G71 CarbonylContact O-C 3.54Å; A58-G71 WeakPolarHBondContact O-CA 3.42Å; A58-G72 WeakPolarHBondContact CB-O 3.27Å; A58-G72 PolarHBondContact N-O 3.24Å; A58-G72 PolarHBondContact O-N 3.27Å; A58-I87 HydrophobicContact CB-CD1 4.17Å; A58-I87 HydrophobicContact CB-CG2 4.15Å; A58-V110 HydrophobicContact CB-CG1 3.92Å; A58-L112 HydrophobicContact CB-CD2 3.71Å
59	L	97.6	Very high	92.9	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.021	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	115.6	165.4	171.7	66	0	0	0	108.4	Q61 T69 V110 I111 R117 W185	L59-Q61 HydrophobicContact CD2-CG 4.29Å; L59-Q61 HydrophobicContact CG-CG 4.04Å; L59-T69 HydrophobicContact CD1-CG2 4.13Å; L59-V110 CarbonylContact O-C 3.57Å; L59-V110 WeakPolarHBondContact O-CA 3.36Å; L59-I111 HydrophobicContact CB-CB 4.17Å; L59-I111 HydrophobicContact CD2-CD1 3.95Å; L59-I111 HydrophobicContact CG-CD1 4.5Å; L59-I111 PolarHBondContact N-O 2.77Å; L59-I111 PolarHBondContact O-N 3.05Å; L59-R117 HydrophobicContact CD2-CB 3.79Å; L59-W185 HydrophobicContact CB-CE3 4.19Å; L59-W185 HydrophobicContact CB-CH2 3.9Å; L59-W185 HydrophobicContact CB-CZ3 3.58Å; L59-W185 HydrophobicContact CD1-CE3 4.14Å; L59-W185 HydrophobicContact CD1-CZ3 4.35Å
60	I	97.8	Very high	93.2	Very high	1 Å²	1	37 Å²	37	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	124	176	-55.4	179.2	0	0	0	107.8	T69 C70 G71 I87 T89 V108 V110 L150	I60-T69 VanDerWaalsContact O-CA 3.29Å; I60-T69 WeakPolarHBondContact O-CA 3.38Å; I60-C70 HydrophobicContact CB-CB 4.24Å; I60-C70 PolarHBondContact N-O 3.33Å; I60-C70 PolarHBondContact O-N 3.33Å; I60-G71 WeakPolarHBondContact CD1-O 3.32Å; I60-I87 HydrophobicContact CD1-CG2 4.1Å; I60-T89 HydrophobicContact CD1-CG2 3.71Å; I60-T89 WeakPolarHBondContact CD1-OG1 3.04Å; I60-V108 HydrophobicContact CG2-CG1 3.72Å; I60-V110 HydrophobicContact CG1-CG2 4.4Å; I60-L150 HydrophobicContact CD1-CD2 4.06Å
61	Q	96.1	Very high	93.5	Very high	48 Å²	48	34.8 Å²	34.8	22%	0.224	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	122.4	176.2	-54.8	-167.5	-69.6	0	0	110.3	L59 T69 V108 T109 I111	L59-Q61 HydrophobicContact CD2-CG 4.29Å; L59-Q61 HydrophobicContact CG-CG 4.04Å; Q61-T69 HydrophobicContact CG-CG2 4.33Å; Q61-V108 WeakPolarHBondContact O-CA 3.39Å; Q61-T109 PolarHBondContact N-O 3.07Å; Q61-T109 PolarHBondContact O-N 2.85Å; Q61-I111 HydrophobicContact CG-CD1 4.13Å
62	R	94.2	Very high	93.9	Very high	13 Å²	13	31.6 Å²	31.6	5%	0.049	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	123	169.1	-70.7	169.9	35.6	173.9	2.4	108.6	S66 L67 V68 C93 Y95 I103 N107 V108	R62-S66 VanDerWaalsContact O-O 3.14Å; R62-L67 VanDerWaalsContact O-CA 3.26Å; R62-L67 WeakPolarHBondContact O-CA 3.36Å; R62-L67 WeakPolarHBondContact O-CD1 3.37Å; R62-V68 HydrophobicContact CB-CB 4.33Å; R62-V68 PolarHBondContact N-O 2.78Å; R62-V68 PolarHBondContact O-N 3Å; R62-V68 VanDerWaalsContact O-N 3.14Å; R62-C93 WeakPolarHBondContact CD-O 3.47Å; R62-C93 PolarHBondContact NH1-O 3.36Å; R62-Y95 PolarHBondContact NH1-O 2.95Å; R62-I103 HydrophobicContact CG-CG2 4.31Å; R62-I103 VanDerWaalsContact CZ-CG1 3.42Å; R62-N107 CarbonylContact C-O 3.6Å; R62-N107 WeakPolarHBondContact CA-O 3.24Å; R62-V108 HydrophobicContact CG-CG2 4.33Å
63	S	91.9	Very high	94.2	Very high	79 Å²	79	28.9 Å²	28.9	55%	0.552	16%	0.161	S	C	*	.			trans	-91.8	-20.6	-179.3	55.8	0	0	0	0	113.7	N107	S63-N107 PolarHBondContact N-O 3.27Å; S63-N107 PolarHBondContact OG-O 2.86Å
64	F	88.5	Confident	94.5	Very high	129 Å²	129	28.9 Å²	28.9	57%	0.566	16%	0.161	S	C	*	.	S	Bend	trans	-144.4	143	-176.3	-173.9	-90.8	0	0	0	110.2	N107	F64-N107 HydrophobicContact CB-CB 4.04Å
65	P	85.6	Confident	94.6	Very high	35 Å²	35	28.6 Å²	28.6	23%	0.227	16%	0.16	C	C	.	.	S	Bend	cis	-78.7	-9.2	1.8	32.7	-37.2	0	0	0	114.9	D96	P65-D96 WeakPolarHBondContact CG-OD2 3.34Å
66	S	84.3	Confident	94.3	Very high	51 Å²	51	29.1 Å²	29.1	36%	0.357	16%	0.162	S	C	.	.	S	Bend	trans	-142.6	155.1	173.2	54.2	0	0	0	0	109.6	R62 V68	R62-S66 VanDerWaalsContact O-O 3.14Å; S66-V68 PolarHBondContact O-N 2.88Å; S66-V68 VanDerWaalsContact O-N 3.16Å
67	L	88.6	Confident	94	Very high	132 Å²	132	31.2 Å²	31.2	69%	0.691	17%	0.173	S	C	*	.			trans	-70.3	108.8	173.5	-175.2	63.7	0	0	0	109.4	R62	R62-L67 VanDerWaalsContact O-CA 3.26Å; R62-L67 WeakPolarHBondContact O-CA 3.36Å; R62-L67 WeakPolarHBondContact O-CD1 3.37Å
68	V	91	Very high	93.4	Very high	50 Å²	50	34.9 Å²	34.9	30%	0.303	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	137.6	176.4	178.8	0	0	0	0	108.8	R62 S66	R62-V68 HydrophobicContact CB-CB 4.33Å; R62-V68 PolarHBondContact N-O 2.78Å; R62-V68 PolarHBondContact O-N 3Å; R62-V68 VanDerWaalsContact O-N 3.14Å; S66-V68 PolarHBondContact O-N 2.88Å; S66-V68 VanDerWaalsContact O-N 3.16Å
69	T	93.8	Very high	92.5	Very high	36 Å²	36	41 Å²	41	22%	0.221	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	136.5	175.2	56.6	0	0	0	0	110.9	L59 I60 Q61	L59-T69 HydrophobicContact CD1-CG2 4.13Å; I60-T69 VanDerWaalsContact O-CA 3.29Å; I60-T69 WeakPolarHBondContact O-CA 3.38Å; Q61-T69 HydrophobicContact CG-CG2 4.33Å
70	C	96.6	Very high	91.8	Very high	8 Å²	8	45.5 Å²	45.5	5%	0.054	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	163.5	169.4	-83.2	0	0	0	0	110.2	I60 C93 S236	I60-C70 HydrophobicContact CB-CB 4.24Å; I60-C70 PolarHBondContact N-O 3.33Å; I60-C70 PolarHBondContact O-N 3.33Å; C70-C93 HydrophobicContact CB-CB 3.68Å; C70-C93 WeakPolarHBondContact CB-SG 3.38Å; C70-C93 WeakPolarHBondContact SG-CB 3.4Å; C70-C93 CovalentContact SG-SG 2.04Å; C70-C93 PolarHBondContact SG-SG 3.49Å; C70-S236 CarbonylContact C-O 3.6Å; C70-S236 WeakPolarHBondContact CA-O 3.46Å; C70-S236 VanDerWaalsContact CB-O 3.25Å; C70-S236 WeakPolarHBondContact CB-O 3.39Å
71	G	97.3	Very high	91.2	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.01	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	173.6	162.4	0	0	0	0	0	112.9	A58 I60 T89 S236 G237 S238	A58-G71 CarbonylContact O-C 3.54Å; A58-G71 WeakPolarHBondContact O-CA 3.42Å; I60-G71 WeakPolarHBondContact CD1-O 3.32Å; G71-T89 PolarHBondContact O-OG1 2.92Å; G71-S236 PolarHBondContact N-O 3.22Å; G71-G237 CarbonylContact C-O 3.56Å; G71-G237 CarbonylContact O-C 3.57Å; G71-G237 WeakPolarHBondContact O-CA 3.42Å; G71-S238 WeakPolarHBondContact CA-OG 3.4Å
72	G	98.4	Very high	91	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171	174.6	173	0	0	0	0	0	110.1	A58 L88 G237	A58-G72 WeakPolarHBondContact CB-O 3.27Å; A58-G72 PolarHBondContact N-O 3.24Å; A58-G72 PolarHBondContact O-N 3.27Å; G72-L88 CarbonylContact C-O 3.52Å; G72-L88 VanDerWaalsContact CA-O 3.23Å; G72-L88 WeakPolarHBondContact CA-O 3.21Å; G72-G237 WeakPolarHBondContact CA-O 3.22Å
73	S	98.5	Very high	91.1	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.014	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	127.8	177.3	-60.9	0	0	0	0	111.2	W56 I75 I87 L88 P239	W56-S73 CarbonylContact O-C 3.53Å; W56-S73 WeakPolarHBondContact O-CA 3.47Å; S73-I75 PolarHBondContact O-N 2.8Å; S73-I87 CarbonylContact O-C 3.5Å; S73-I87 VanDerWaalsContact O-CA 3.31Å; S73-I87 WeakPolarHBondContact O-CA 3.29Å; S73-L88 PolarHBondContact N-O 2.93Å; S73-L88 PolarHBondContact O-N 3.47Å; S73-P239 VanDerWaalsContact OG-CB 3.22Å; S73-P239 WeakPolarHBondContact OG-CB 3.27Å; S73-P239 VanDerWaalsContact OG-CG 3.3Å; S73-P239 WeakPolarHBondContact OG-CG 3.41Å
74	L	98.4	Very high	91.2	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	119	164.2	-171.6	67.2	0	0	0	108.5	W56 I87 L112 I162 P164 V165	W56-L74 HydrophobicContact CB-CB 4.43Å; W56-L74 PolarHBondContact O-N 2.95Å; L74-I87 HydrophobicContact CB-CD1 4.17Å; L74-I87 HydrophobicContact CD1-CD1 3.68Å; L74-L112 HydrophobicContact CB-CD2 4.17Å; L74-L112 HydrophobicContact CD1-CD1 4.09Å; L74-L112 HydrophobicContact CD2-CD1 4.19Å; L74-I162 HydrophobicContact CD2-CG2 3.81Å; L74-P164 HydrophobicContact CG-CB 4.42Å; L74-P164 CarbonylContact O-C 3.58Å; L74-P164 WeakPolarHBondContact O-CA 3.49Å; L74-V165 PolarHBondContact O-N 3.36Å
75	I	97.6	Very high	91.6	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	162.6	178.5	60.1	162.4	0	0	0	110.1	S73 L86 L88 V165 V167 V250 I276	S73-I75 PolarHBondContact O-N 2.8Å; I75-L86 HydrophobicContact CD1-CB 4.17Å; I75-L86 HydrophobicContact CG1-CB 3.66Å; I75-L86 WeakPolarHBondContact CG1-O 3.47Å; I75-L86 PolarHBondContact N-O 3.46Å; I75-L88 HydrophobicContact CD1-CB 4.12Å; I75-L88 HydrophobicContact CG1-CB 4.36Å; I75-L88 HydrophobicContact CG2-CB 3.88Å; I75-L88 HydrophobicContact CG2-CD2 4.4Å; I75-V165 HydrophobicContact CG2-CG1 3.98Å; I75-V167 HydrophobicContact CB-CG2 3.76Å; I75-V167 HydrophobicContact CD1-CG2 4.03Å; I75-V167 HydrophobicContact CG2-CG2 3.7Å; I75-V250 HydrophobicContact CG2-CG1 4.26Å; I75-I276 HydrophobicContact CD1-CG2 3.9Å
76	Q	91	Very high	92.2	Very high	16 Å²	16	47 Å²	47	8%	0.075	25%	0.252	C	S	.	.			trans	-147.5	116.2	175.6	-165	-173.6	36.4	0	0	110.6	H27 N78 K81 E83 S84 H158 P164	H27-Q76 PolarHBondContact CE1-O 3.05Å; Q76-N78 VanDerWaalsContact CG-O 3.31Å; Q76-N78 WeakPolarHBondContact CG-O 3.39Å; Q76-N78 PolarHBondContact NE2-O 3.07Å; Q76-K81 PolarHBondContact NE2-O 3.01Å; Q76-E83 PolarHBondContact NE2-O 3.49Å; Q76-S84 WeakPolarHBondContact CB-OG 3.48Å; Q76-S84 WeakPolarHBondContact CG-OG 3.48Å; Q76-H158 PolarHBondContact NE2-CE1 3.05Å; Q76-H158 VanDerWaalsContact NE2-CE1 3.33Å; Q76-H158 PolarHBondContact OE1-CE1 3.4Å; Q76-P164 HydrophobicContact CB-CB 3.57Å; Q76-P164 HydrophobicContact CB-CG 3.63Å; Q76-P164 HydrophobicContact CG-CG 4.45Å
77	L	91.2	Very high	92.9	Very high	44 Å²	44	44.5 Å²	44.5	23%	0.23	24%	0.235	C	C	.	.	S	Bend	trans	-86	-28.8	179	-58	178.1	0	0	0	112	L86 V167 I276 R277 A280	L77-L86 HydrophobicContact CD1-CD1 4.29Å; L77-L86 HydrophobicContact CG-CD1 4.39Å; L77-V167 HydrophobicContact CD2-CB 4.37Å; L77-V167 HydrophobicContact CD2-CG2 4.16Å; L77-I276 HydrophobicContact CD1-CG2 4.48Å; L77-I276 HydrophobicContact CD2-CG2 4.41Å; L77-R277 HydrophobicContact CD1-CB 4.4Å; L77-R277 HydrophobicContact CD1-CG 4.1Å; L77-R277 HydrophobicContact CD2-CG 4.39Å; L77-A280 HydrophobicContact CD1-CB 3.41Å; L77-A280 VanDerWaalsContact CD1-CB 3.41Å
78	N	85.1	Confident	93.4	Very high	83 Å²	83	38.3 Å²	38.3	44%	0.444	20%	0.203	S	C	.	.			trans	-98.9	100.1	173.9	-173.3	-19.7	0	0	0	111	Q76 S80 K81	Q76-N78 VanDerWaalsContact CG-O 3.31Å; Q76-N78 WeakPolarHBondContact CG-O 3.39Å; Q76-N78 PolarHBondContact NE2-O 3.07Å; N78-S80 PolarHBondContact O-N 3.16Å; N78-S80 WeakPolarHBondContact OD1-CB 3.32Å; N78-S80 PolarHBondContact OD1-N 2.84Å; N78-S80 PolarHBondContact OD1-OG 3.4Å; N78-K81 PolarHBondContact O-N 3.12Å
79	K	79.5	Confident	93.7	Very high	128 Å²	128	35.9 Å²	35.9	56%	0.557	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-5.2	-176.5	-62.8	173.7	-178.3	170.6	0	114.6
80	S	81.6	Confident	93.9	Very high	98 Å²	98	34.2 Å²	34.2	69%	0.685	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-13.5	-177	-56	0	0	0	0	113.9	N78	N78-S80 PolarHBondContact O-N 3.16Å; N78-S80 WeakPolarHBondContact OD1-CB 3.32Å; N78-S80 PolarHBondContact OD1-N 2.84Å; N78-S80 PolarHBondContact OD1-OG 3.4Å
81	K	86.9	Confident	94	Very high	99 Å²	99	33.8 Å²	33.8	43%	0.43	18%	0.175	S	C	.	.			trans	-88.8	147	-178.1	-64.1	-173.8	176.8	-172.8	0	111.2	Q76 N78 E83 H158	Q76-K81 PolarHBondContact NE2-O 3.01Å; N78-K81 PolarHBondContact O-N 3.12Å; K81-E83 VanDerWaalsContact C-N 3.29Å; K81-H158 PolarHBondContact O-CE1 2.89Å
82	N	91.8	Very high	93.9	Very high	123 Å²	123	35.9 Å²	35.9	66%	0.658	18%	0.184	S	C	*	.	S	Bend	trans	-95	18.1	171.7	62.4	-26.7	0	0	0	112.4	H158	N82-H158 VanDerWaalsContact C-CG 3.47Å; N82-H158 WeakPolarHBondContact O-CB 3.43Å; N82-H158 PolarHBondContact O-CD2 2.97Å; N82-H158 PolarHBondContact O-N 3.2Å
83	E	94.5	Very high	93.8	Very high	75 Å²	75	35.9 Å²	35.9	35%	0.35	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	154	177.2	62.1	-177	-167.7	0	0	109.6	Q76 K81 P155 A156 H158	Q76-E83 PolarHBondContact NE2-O 3.49Å; K81-E83 VanDerWaalsContact C-N 3.29Å; E83-P155 HydrophobicContact CB-CB 3.82Å; E83-P155 VanDerWaalsContact CD-CB 3.49Å; E83-P155 HydrophobicContact CG-CB 3.76Å; E83-A156 VanDerWaalsContact CA-O 3.23Å; E83-A156 WeakPolarHBondContact CA-O 3.37Å; E83-H158 VanDerWaalsContact C-NE2 3.27Å; E83-H158 WeakPolarHBondContact CA-NE2 3.27Å; E83-H158 PolarHBondContact N-NE2 3.47Å
84	S	95.8	Very high	93.8	Very high	4 Å²	4	35.8 Å²	35.8	3%	0.028	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	145.6	179.8	-64.3	0	0	0	0	110.7	Q76 A156 H158	Q76-S84 WeakPolarHBondContact CB-OG 3.48Å; Q76-S84 WeakPolarHBondContact CG-OG 3.48Å; S84-A156 PolarHBondContact N-O 3.31Å; S84-A156 WeakPolarHBondContact O-CB 3.47Å; S84-A156 PolarHBondContact O-N 2.83Å; S84-H158 PolarHBondContact OG-NE2 3.02Å
85	D	96.4	Very high	93.7	Very high	26 Å²	26	37.2 Å²	37.2	14%	0.139	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	12.7	-174.6	53.5	17.7	0	0	0	113.3	K151 L152 P155	D85-K151 VanDerWaalsContact CG-CE 3.5Å; D85-K151 WeakPolarHBondContact O-CA 3.27Å; D85-K151 IonicContact OD1-NZ 2.78Å; D85-K151 PolarHBondContact OD1-NZ 2.81Å; D85-K151 VanDerWaalsContact OD2-CE 3.3Å; D85-K151 WeakPolarHBondContact OD2-CE 3.17Å; D85-K151 IonicContact OD2-NZ 3.95Å; D85-K151 PolarHBondContact OD2-NZ 3.07Å; D85-L152 HydrophobicContact CB-CB 4.23Å; D85-L152 PolarHBondContact O-N 2.91Å; D85-P155 HydrophobicContact CB-CB 4.16Å; D85-P155 HydrophobicContact CB-CG 4.22Å
86	L	97.7	Very high	93.5	Very high	9 Å²	9	37.7 Å²	37.7	5%	0.047	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	127.4	-179.5	-64.4	173.9	0	0	0	110	I75 L77 V149 L150 K151 A280	I75-L86 HydrophobicContact CD1-CB 4.17Å; I75-L86 HydrophobicContact CG1-CB 3.66Å; I75-L86 WeakPolarHBondContact CG1-O 3.47Å; I75-L86 PolarHBondContact N-O 3.46Å; L77-L86 HydrophobicContact CD1-CD1 4.29Å; L77-L86 HydrophobicContact CG-CD1 4.39Å; L86-V149 HydrophobicContact CD2-CG1 3.98Å; L86-L150 WeakPolarHBondContact CA-O 3.45Å; L86-K151 HydrophobicContact CD2-CD 3.77Å; L86-A280 HydrophobicContact CD1-CB 3.55Å; L86-A280 HydrophobicContact CD2-CB 4.3Å
87	I	98.6	Very high	93.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	126.8	172.2	-52.2	-63.8	0	0	0	108.9	A58 I60 S73 L74 V110 L112 V149 L150 L152	A58-I87 HydrophobicContact CB-CD1 4.17Å; A58-I87 HydrophobicContact CB-CG2 4.15Å; I60-I87 HydrophobicContact CD1-CG2 4.1Å; S73-I87 CarbonylContact O-C 3.5Å; S73-I87 VanDerWaalsContact O-CA 3.31Å; S73-I87 WeakPolarHBondContact O-CA 3.29Å; L74-I87 HydrophobicContact CB-CD1 4.17Å; L74-I87 HydrophobicContact CD1-CD1 3.68Å; I87-V110 HydrophobicContact CD1-CG1 3.92Å; I87-V110 HydrophobicContact CG1-CG1 3.94Å; I87-V110 HydrophobicContact CG1-CG2 4.22Å; I87-L112 HydrophobicContact CD1-CD2 4.2Å; I87-V149 WeakPolarHBondContact O-CA 2.98Å; I87-L150 HydrophobicContact CB-CB 4.18Å; I87-L150 PolarHBondContact N-O 3.34Å; I87-L150 PolarHBondContact O-N 3.3Å; I87-L152 HydrophobicContact CD1-CD1 4.4Å; I87-L152 HydrophobicContact CD1-CD2 4.45Å; I87-L152 HydrophobicContact CG1-CD2 3.81Å; I87-L152 HydrophobicContact CG1-CG 4.22Å
88	L	98.7	Very high	93.3	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	131.3	170.4	-168.4	65.2	0	0	0	109.5	G72 S73 I75 I147 V149 V250 I253 V269 I276	G72-L88 CarbonylContact C-O 3.52Å; G72-L88 VanDerWaalsContact CA-O 3.23Å; G72-L88 WeakPolarHBondContact CA-O 3.21Å; S73-L88 PolarHBondContact N-O 2.93Å; S73-L88 PolarHBondContact O-N 3.47Å; I75-L88 HydrophobicContact CD1-CB 4.12Å; I75-L88 HydrophobicContact CG1-CB 4.36Å; I75-L88 HydrophobicContact CG2-CB 3.88Å; I75-L88 HydrophobicContact CG2-CD2 4.4Å; L88-I147 HydrophobicContact CD1-CD1 4.09Å; L88-I147 HydrophobicContact CD1-CG1 4.08Å; L88-V149 HydrophobicContact CD1-CG2 4Å; L88-V250 HydrophobicContact CD2-CG1 3.84Å; L88-V250 HydrophobicContact CD2-CG2 4.35Å; L88-I253 HydrophobicContact CD1-CD1 4.03Å; L88-I253 HydrophobicContact CD2-CD1 3.89Å; L88-I253 HydrophobicContact CD2-CG1 4.23Å; L88-I253 HydrophobicContact CG-CD1 3.64Å; L88-I253 HydrophobicContact CG-CG1 4.25Å; L88-V269 HydrophobicContact CD2-CG1 4Å; L88-V269 HydrophobicContact CD2-CG2 4.19Å; L88-I276 HydrophobicContact CD1-CD1 4Å; L88-I276 HydrophobicContact CD1-CG1 4.15Å; L88-I276 HydrophobicContact CD2-CD1 4.24Å
89	T	98.7	Very high	93.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	-178.3	-179.6	-168	0	0	0	0	111	I60 G71 A148 L150 G237	I60-T89 HydrophobicContact CD1-CG2 3.71Å; I60-T89 WeakPolarHBondContact CD1-OG1 3.04Å; G71-T89 PolarHBondContact O-OG1 2.92Å; T89-A148 HydrophobicContact CG2-CB 4.17Å; T89-A148 PolarHBondContact N-O 2.89Å; T89-A148 PolarHBondContact O-N 3.17Å; T89-L150 HydrophobicContact CG2-CD1 3.43Å; T89-L150 VanDerWaalsContact CG2-CD1 3.43Å; T89-L150 HydrophobicContact CG2-CD2 4.49Å; T89-G237 WeakPolarHBondContact OG1-CA 3.33Å
90	A	98.2	Very high	94.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.244	C	C	.	.			trans	-79.3	144.6	176.6	0	0	0	0	0	111.6	H92 C93 D146 I253	A90-H92 VanDerWaalsContact C-N 3.32Å; A90-H92 WeakPolarHBondContact CB-ND1 3.39Å; A90-H92 PolarHBondContact O-N 3.25Å; A90-C93 VanDerWaalsContact O-CB 3.3Å; A90-C93 WeakPolarHBondContact O-CB 3.5Å; A90-C93 PolarHBondContact O-N 3.43Å; A90-D146 VanDerWaalsContact CA-O 3.24Å; A90-D146 WeakPolarHBondContact CA-O 3.48Å; A90-I253 HydrophobicContact CB-CG2 4.02Å
91	A	98.1	Very high	94.9	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-66.1	-36.2	178	0	0	0	0	0	112.1	C93 M94 Y95 A135 Y138 D146 A148	A91-C93 PolarHBondContact O-N 3.5Å; A91-M94 WeakPolarHBondContact O-CA 3.42Å; A91-M94 PolarHBondContact O-N 2.78Å; A91-Y95 PolarHBondContact O-N 2.65Å; A91-A135 HydrophobicContact CB-CB 4Å; A91-Y138 HydrophobicContact CB-CD1 3.98Å; A91-Y138 HydrophobicContact CB-CD2 3.68Å; A91-Y138 HydrophobicContact CB-CE2 4.33Å; A91-Y138 HydrophobicContact CB-CG 3.5Å; A91-Y138 VanDerWaalsContact CB-CG 3.5Å; A91-D146 VanDerWaalsContact N-C 3.3Å; A91-D146 PolarHBondContact N-O 2.9Å; A91-D146 PolarHBondContact N-OD1 2.85Å; A91-A148 HydrophobicContact CB-CB 4.49Å
92	H	95.7	Very high	95.3	Very high	44 Å²	44	51.7 Å²	51.7	20%	0.204	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-63.6	-23.2	177.7	81.8	-101.5	0	0	0	112.4	A90 M94 Y95 Y138 D146 S236 S255	A90-H92 VanDerWaalsContact C-N 3.32Å; A90-H92 WeakPolarHBondContact CB-ND1 3.39Å; A90-H92 PolarHBondContact O-N 3.25Å; H92-M94 PolarHBondContact O-N 2.66Å; H92-Y95 PolarHBondContact O-N 3.13Å; H92-Y138 HydrophobicContact CB-CE1 4.16Å; H92-Y138 HydrophobicContact CB-CE2 4.38Å; H92-Y138 WeakPolarHBondContact CB-OH 3.29Å; H92-D146 WeakPolarHBondContact CB-OD1 3.4Å; H92-D146 IonicContact CE1-OD2 3.52Å; H92-D146 PolarHBondContact CE1-OD2 2.81Å; H92-D146 IonicContact CG-OD1 3.84Å; H92-D146 IonicContact CG-OD2 3.47Å; H92-D146 PolarHBondContact N-OD1 2.87Å; H92-D146 VanDerWaalsContact ND1-CG 3.3Å; H92-D146 IonicContact ND1-OD1 3.65Å; H92-D146 PolarHBondContact ND1-OD1 2.94Å; H92-D146 VanDerWaalsContact ND1-OD1 3.12Å; H92-D146 IonicContact ND1-OD2 3.84Å; H92-D146 PolarHBondContact ND1-OD2 2.85Å; H92-S236 PolarHBondContact CE1-OG 3.36Å; H92-S236 WeakPolarHBondContact NE2-CB 3.5Å; H92-S236 PolarHBondContact NE2-OG 3.29Å; H92-S255 PolarHBondContact CE1-O 2.83Å
93	C	96.5	Very high	95.6	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.007	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-64.9	-23.1	170.8	-71.3	0	0	0	0	112.3	R62 C70 A90 A91	R62-C93 WeakPolarHBondContact CD-O 3.47Å; R62-C93 PolarHBondContact NH1-O 3.36Å; C70-C93 HydrophobicContact CB-CB 3.68Å; C70-C93 WeakPolarHBondContact CB-SG 3.38Å; C70-C93 WeakPolarHBondContact SG-CB 3.4Å; C70-C93 CovalentContact SG-SG 2.04Å; C70-C93 PolarHBondContact SG-SG 3.49Å; A90-C93 VanDerWaalsContact O-CB 3.3Å; A90-C93 WeakPolarHBondContact O-CB 3.5Å; A90-C93 PolarHBondContact O-N 3.43Å; A91-C93 PolarHBondContact O-N 3.5Å
94	M	97	Very high	95.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-105.1	7.2	179.4	-54.9	-53.5	-63.2	0	0	113.3	A91 H92 W102 I103 V108 Y133 A148 L150	A91-M94 WeakPolarHBondContact O-CA 3.42Å; A91-M94 PolarHBondContact O-N 2.78Å; H92-M94 PolarHBondContact O-N 2.66Å; M94-W102 HydrophobicContact CB-CE3 4.35Å; M94-W102 HydrophobicContact CB-CZ3 4.22Å; M94-I103 WeakPolarHBondContact O-CG1 3.47Å; M94-I103 PolarHBondContact O-N 2.95Å; M94-V108 HydrophobicContact CE-CB 4.38Å; M94-V108 HydrophobicContact CE-CG1 4.12Å; M94-V108 HydrophobicContact CE-CG2 3.7Å; M94-V108 HydrophobicContact SD-CG1 4.46Å; M94-Y133 HydrophobicContact CB-CD2 4.19Å; M94-Y133 HydrophobicContact CB-CE2 3.81Å; M94-Y133 HydrophobicContact CE-CD1 3.5Å; M94-Y133 VanDerWaalsContact CE-CD1 3.5Å; M94-Y133 HydrophobicContact CE-CD2 4.39Å; M94-Y133 HydrophobicContact CE-CE1 3.48Å; M94-Y133 VanDerWaalsContact CE-CE1 3.48Å; M94-Y133 HydrophobicContact CE-CE2 4.39Å; M94-Y133 HydrophobicContact CE-CG 3.97Å; M94-Y133 HydrophobicContact CG-CD2 4.31Å; M94-Y133 HydrophobicContact CG-CE2 4.41Å; M94-A148 HydrophobicContact CG-CB 4.3Å; M94-L150 HydrophobicContact CE-CD2 4.31Å; M94-L150 HydrophobicContact CE-CG 4.41Å; M94-L150 HydrophobicContact CG-CD1 4.07Å; M94-L150 HydrophobicContact SD-CD1 4.2Å; M94-L150 HydrophobicContact SD-CD2 3.98Å; M94-L150 HydrophobicContact SD-CG 4.36Å
95	Y	96.1	Very high	95.7	Very high	29 Å²	29	47.1 Å²	47.1	11%	0.114	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	139	-178.4	-171.2	-99	0	0	0	110.6	R62 A91 H92 K97 H100 W102 Y138 P140	R62-Y95 PolarHBondContact NH1-O 2.95Å; A91-Y95 PolarHBondContact O-N 2.65Å; H92-Y95 PolarHBondContact O-N 3.13Å; Y95-K97 HydrophobicContact CD1-CB 4.41Å; Y95-K97 HydrophobicContact CE1-CB 4.45Å; Y95-H100 WeakPolarHBondContact OH-CA 3.32Å; Y95-W102 AromaticContact CD2-CD2 3.81Å; Y95-W102 HydrophobicContact CD2-CD2 3.81Å; Y95-W102 AromaticContact CD2-CE2 3.79Å; Y95-W102 HydrophobicContact CD2-CE3 4.17Å; Y95-W102 HydrophobicContact CD2-CG 4.15Å; Y95-W102 HydrophobicContact CD2-CH2 4.46Å; Y95-W102 HydrophobicContact CD2-CZ2 4.14Å; Y95-W102 HydrophobicContact CD2-CZ3 4.48Å; Y95-Y138 HydrophobicContact CD1-CE1 4.09Å; Y95-Y138 HydrophobicContact CG-CD1 4.4Å; Y95-Y138 HydrophobicContact CG-CE1 4.12Å; Y95-P140 HydrophobicContact CD1-CB 4.06Å; Y95-P140 HydrophobicContact CD1-CG 3.85Å; Y95-P140 HydrophobicContact CE1-CB 3.56Å; Y95-P140 HydrophobicContact CE1-CG 3.3Å; Y95-P140 HydrophobicContact CE2-CG 4.18Å; Y95-P140 HydrophobicContact CG-CG 4.46Å; Y95-P140 VanDerWaalsContact CZ-CG 3.49Å
96	D	93.3	Very high	95.6	Very high	11 Å²	11	53.9 Å²	53.9	6%	0.059	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	104.1	168.5	-173.5	-27.6	0	0	0	109	P65 Q98 R99 H100 L101 I103	P65-D96 WeakPolarHBondContact CG-OD2 3.34Å; D96-Q98 VanDerWaalsContact C-N 3.3Å; D96-Q98 PolarHBondContact O-N 2.69Å; D96-Q98 WeakPolarHBondContact OD1-CB 3.34Å; D96-Q98 PolarHBondContact OD1-N 3.44Å; D96-R99 HydrophobicContact CB-CB 4.28Å; D96-R99 PolarHBondContact O-N 2.83Å; D96-R99 PolarHBondContact OD1-N 3.41Å; D96-R99 WeakPolarHBondContact OD2-CD 3.5Å; D96-R99 IonicContact OD2-CZ 3.7Å; D96-R99 IonicContact OD2-NE 3.94Å; D96-R99 IonicContact OD2-NH1 2.71Å; D96-R99 PolarHBondContact OD2-NH1 2.99Å; D96-H100 WeakPolarHBondContact O-CA 3.18Å; D96-H100 PolarHBondContact O-N 3.29Å; D96-L101 PolarHBondContact N-O 2.84Å; D96-L101 PolarHBondContact O-N 3.17Å; D96-I103 HydrophobicContact CB-CD1 4.12Å
97	K	90.1	Very high	95.6	Very high	115 Å²	115	55.8 Å²	55.8	50%	0.5	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-30.3	-179.7	-172.4	167.6	176.9	161.2	0	113.2	Y95 P140	Y95-K97 HydrophobicContact CD1-CB 4.41Å; Y95-K97 HydrophobicContact CE1-CB 4.45Å; K97-P140 WeakPolarHBondContact CE-O 3.31Å; K97-P140 PolarHBondContact NZ-O 3.37Å
98	Q	89.4	Confident	95.6	Very high	169 Å²	169	55.8 Å²	55.8	79%	0.79	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-37.6	-179.8	-65.4	-179.6	-9.4	0	0	111.4	D96	D96-Q98 VanDerWaalsContact C-N 3.3Å; D96-Q98 PolarHBondContact O-N 2.69Å; D96-Q98 WeakPolarHBondContact OD1-CB 3.34Å; D96-Q98 PolarHBondContact OD1-N 3.44Å
99	R	92.2	Very high	95.5	Very high	123 Å²	123	57.2 Å²	57.2	46%	0.464	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-9.7	-178.3	-63	-177.8	178.1	78.7	1.1	114.1	D96 L101	D96-R99 HydrophobicContact CB-CB 4.28Å; D96-R99 PolarHBondContact O-N 2.83Å; D96-R99 PolarHBondContact OD1-N 3.41Å; D96-R99 WeakPolarHBondContact OD2-CD 3.5Å; D96-R99 IonicContact OD2-CZ 3.7Å; D96-R99 IonicContact OD2-NE 3.94Å; D96-R99 IonicContact OD2-NH1 2.71Å; D96-R99 PolarHBondContact OD2-NH1 2.99Å; R99-L101 VanDerWaalsContact C-N 3.33Å; R99-L101 HydrophobicContact CB-CB 4.38Å; R99-L101 HydrophobicContact CB-CD1 4.01Å; R99-L101 HydrophobicContact CB-CG 4.22Å; R99-L101 WeakPolarHBondContact O-CG 3.09Å
100	H	93	Very high	95.5	Very high	137 Å²	137	57.2 Å²	57.2	63%	0.634	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	43.3	-171.9	-60.9	-90.2	0	0	0	113.4	Y95 D96	Y95-H100 WeakPolarHBondContact OH-CA 3.32Å; D96-H100 WeakPolarHBondContact O-CA 3.18Å; D96-H100 PolarHBondContact O-N 3.29Å
101	L	94.5	Very high	95.5	Very high	103 Å²	103	57.2 Å²	57.2	54%	0.539	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	141.7	-174.1	-69.5	172.6	0	0	0	112.1	D96 R99	D96-L101 PolarHBondContact N-O 2.84Å; D96-L101 PolarHBondContact O-N 3.17Å; R99-L101 VanDerWaalsContact C-N 3.33Å; R99-L101 HydrophobicContact CB-CB 4.38Å; R99-L101 HydrophobicContact CB-CD1 4.01Å; R99-L101 HydrophobicContact CB-CG 4.22Å; R99-L101 WeakPolarHBondContact O-CG 3.09Å
102	W	95.7	Very high	95.5	Very high	116 Å²	116	57.2 Å²	57.2	44%	0.439	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	142.8	166.8	-71.6	99.8	0	0	0	110.6	M94 Y95 Y133 A135 Y138	M94-W102 HydrophobicContact CB-CE3 4.35Å; M94-W102 HydrophobicContact CB-CZ3 4.22Å; Y95-W102 AromaticContact CD2-CD2 3.81Å; Y95-W102 HydrophobicContact CD2-CD2 3.81Å; Y95-W102 AromaticContact CD2-CE2 3.79Å; Y95-W102 HydrophobicContact CD2-CE3 4.17Å; Y95-W102 HydrophobicContact CD2-CG 4.15Å; Y95-W102 HydrophobicContact CD2-CH2 4.46Å; Y95-W102 HydrophobicContact CD2-CZ2 4.14Å; Y95-W102 HydrophobicContact CD2-CZ3 4.48Å; W102-Y133 AromaticContact CE3-CE2 3.78Å; W102-Y133 HydrophobicContact CE3-CE2 3.78Å; W102-Y133 HydrophobicContact CZ3-CE2 4.18Å; W102-A135 HydrophobicContact CH2-CB 3.31Å; W102-A135 HydrophobicContact CZ2-CB 4.28Å; W102-A135 HydrophobicContact CZ3-CB 3.58Å; W102-Y138 HydrophobicContact CH2-CD1 4.01Å; W102-Y138 HydrophobicContact CH2-CG 4.43Å; W102-Y138 HydrophobicContact CZ2-CD1 4.43Å
103	I	96.4	Very high	95.6	Very high	7 Å²	7	55.4 Å²	55.4	4%	0.036	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-81.7	127.5	-178.5	-57.5	-60.4	0	0	0	110	R62 M94 D96 S105 N107 V108 Y133	R62-I103 HydrophobicContact CG-CG2 4.31Å; R62-I103 VanDerWaalsContact CZ-CG1 3.42Å; M94-I103 WeakPolarHBondContact O-CG1 3.47Å; M94-I103 PolarHBondContact O-N 2.95Å; D96-I103 HydrophobicContact CB-CD1 4.12Å; I103-S105 PolarHBondContact O-N 3.33Å; I103-N107 HydrophobicContact CG2-CB 4.42Å; I103-V108 HydrophobicContact CG2-CG2 3.72Å; I103-Y133 PolarHBondContact N-OH 3.37Å; I103-Y133 WeakPolarHBondContact O-CE1 3.32Å; I103-Y133 VanDerWaalsContact O-CZ 3.27Å; I103-Y133 PolarHBondContact O-OH 3.32Å
104	D	96.2	Very high	95.5	Very high	77 Å²	77	55.8 Å²	55.8	41%	0.412	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-60.9	127.1	172.6	-171.7	-27.7	0	0	0	109.7	K106 N107	D104-K106 PolarHBondContact O-N 2.88Å; D104-K106 WeakPolarHBondContact OD1-CB 3.28Å; D104-K106 WeakPolarHBondContact OD1-CG 3.45Å; D104-K106 PolarHBondContact OD1-N 2.89Å; D104-N107 WeakPolarHBondContact O-CB 3.47Å; D104-N107 PolarHBondContact O-N 3.42Å
105	S	96.2	Very high	95.4	Very high	22 Å²	22	56.5 Å²	56.5	15%	0.154	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-49.4	-29.6	175.6	56.3	0	0	0	0	114.3	I103 N107 V108	I103-S105 PolarHBondContact O-N 3.33Å; S105-N107 PolarHBondContact O-N 2.92Å; S105-V108 WeakPolarHBondContact O-CB 3.45Å; S105-V108 PolarHBondContact O-N 3.39Å
106	K	96	Very high	95.3	Very high	168 Å²	168	57.3 Å²	57.3	73%	0.73	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-62.4	-23.7	175.9	-65.7	173	-175.8	171.6	0	113.4	D104 V108	D104-K106 PolarHBondContact O-N 2.88Å; D104-K106 WeakPolarHBondContact OD1-CB 3.28Å; D104-K106 WeakPolarHBondContact OD1-CG 3.45Å; D104-K106 PolarHBondContact OD1-N 2.89Å; K106-V108 VanDerWaalsContact C-N 3.31Å
107	N	96.7	Very high	95.3	Very high	48 Å²	48	60.9 Å²	60.9	26%	0.257	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-94.4	13.3	178.1	-61.5	-42.2	0	0	0	112.5	R62 S63 F64 I103 D104 S105	R62-N107 CarbonylContact C-O 3.6Å; R62-N107 WeakPolarHBondContact CA-O 3.24Å; S63-N107 PolarHBondContact N-O 3.27Å; S63-N107 PolarHBondContact OG-O 2.86Å; F64-N107 HydrophobicContact CB-CB 4.04Å; I103-N107 HydrophobicContact CG2-CB 4.42Å; D104-N107 WeakPolarHBondContact O-CB 3.47Å; D104-N107 PolarHBondContact O-N 3.42Å; S105-N107 PolarHBondContact O-N 2.92Å
108	V	97.9	Very high	95.4	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127.1	-175	-170.7	0	0	0	0	109.7	I60 Q61 R62 M94 I103 S105 K106 V130 L150	I60-V108 HydrophobicContact CG2-CG1 3.72Å; Q61-V108 WeakPolarHBondContact O-CA 3.39Å; R62-V108 HydrophobicContact CG-CG2 4.33Å; M94-V108 HydrophobicContact CE-CB 4.38Å; M94-V108 HydrophobicContact CE-CG1 4.12Å; M94-V108 HydrophobicContact CE-CG2 3.7Å; M94-V108 HydrophobicContact SD-CG1 4.46Å; I103-V108 HydrophobicContact CG2-CG2 3.72Å; S105-V108 WeakPolarHBondContact O-CB 3.45Å; S105-V108 PolarHBondContact O-N 3.39Å; K106-V108 VanDerWaalsContact C-N 3.31Å; V108-V130 HydrophobicContact CB-CB 4.26Å; V108-V130 HydrophobicContact CB-CG2 4.02Å; V108-V130 HydrophobicContact CG1-CB 4.48Å; V108-V130 HydrophobicContact CG1-CG2 3.75Å; V108-V130 PolarHBondContact O-N 2.77Å; V108-L150 HydrophobicContact CG1-CD2 4.43Å
109	T	97.8	Very high	95.6	Very high	31 Å²	31	55 Å²	55	19%	0.19	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	148	170.8	56	0	0	0	0	109.7	Q61 V127 H128 F129	Q61-T109 PolarHBondContact N-O 3.07Å; Q61-T109 PolarHBondContact O-N 2.85Å; T109-V127 HydrophobicContact CG2-CG1 4.39Å; T109-H128 CarbonylContact C-O 3.57Å; T109-H128 WeakPolarHBondContact CA-O 3.08Å; T109-F129 HydrophobicContact CG2-CD1 3.96Å; T109-F129 HydrophobicContact CG2-CE1 4.07Å
110	V	98.5	Very high	95.6	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127.6	175.8	178.4	0	0	0	0	108	A58 L59 I60 I87 L112 H128 V130 L150 L152	A58-V110 HydrophobicContact CB-CG1 3.92Å; L59-V110 CarbonylContact O-C 3.57Å; L59-V110 WeakPolarHBondContact O-CA 3.36Å; I60-V110 HydrophobicContact CG1-CG2 4.4Å; I87-V110 HydrophobicContact CD1-CG1 3.92Å; I87-V110 HydrophobicContact CG1-CG1 3.94Å; I87-V110 HydrophobicContact CG1-CG2 4.22Å; V110-L112 HydrophobicContact CG1-CD2 4.36Å; V110-L112 HydrophobicContact CG1-CG 4.22Å; V110-H128 HydrophobicContact CB-CB 4.5Å; V110-H128 PolarHBondContact N-O 3.22Å; V110-H128 PolarHBondContact O-N 3.35Å; V110-V130 HydrophobicContact CG2-CG2 3.73Å; V110-L150 HydrophobicContact CG2-CD2 4.4Å; V110-L152 HydrophobicContact CB-CD2 3.81Å; V110-L152 HydrophobicContact CG1-CD2 4.23Å; V110-L152 HydrophobicContact CG2-CD2 3.8Å
111	I	98.2	Very high	95.7	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	123.9	175	-59.8	166.1	0	0	0	108.5	L59 Q61 A114 R125 K126 V127	L59-I111 HydrophobicContact CB-CB 4.17Å; L59-I111 HydrophobicContact CD2-CD1 3.95Å; L59-I111 HydrophobicContact CG-CD1 4.5Å; L59-I111 PolarHBondContact N-O 2.77Å; L59-I111 PolarHBondContact O-N 3.05Å; Q61-I111 HydrophobicContact CG-CD1 4.13Å; I111-A114 HydrophobicContact CG2-CB 3.89Å; I111-R125 VanDerWaalsContact CD1-NH2 3.28Å; I111-R125 HydrophobicContact CG2-CG 3.64Å; I111-K126 WeakPolarHBondContact CA-O 3.39Å; I111-V127 HydrophobicContact CG1-CG2 4.26Å
112	L	98.2	Very high	95.7	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	157.6	174.8	-64.9	170.3	0	0	0	110.1	A58 L74 I87 V110 A114 R125 K126 L152 A156 I162	A58-L112 HydrophobicContact CB-CD2 3.71Å; L74-L112 HydrophobicContact CB-CD2 4.17Å; L74-L112 HydrophobicContact CD1-CD1 4.09Å; L74-L112 HydrophobicContact CD2-CD1 4.19Å; I87-L112 HydrophobicContact CD1-CD2 4.2Å; V110-L112 HydrophobicContact CG1-CD2 4.36Å; V110-L112 HydrophobicContact CG1-CG 4.22Å; L112-A114 PolarHBondContact O-N 2.74Å; L112-R125 WeakPolarHBondContact O-CA 3.32Å; L112-K126 PolarHBondContact N-O 2.74Å; L112-K126 PolarHBondContact O-N 3.28Å; L112-L152 HydrophobicContact CD1-CD1 4.18Å; L112-A156 HydrophobicContact CD1-CB 3.56Å; L112-I162 HydrophobicContact CB-CD1 3.97Å; L112-I162 HydrophobicContact CB-CG1 4.13Å; L112-I162 HydrophobicContact CB-CG2 4.37Å; L112-I162 HydrophobicContact CD1-CG2 4.22Å
113	G	97	Very high	95.8	Very high	6 Å²	6	55.2 Å²	55.2	6%	0.062	27%	0.269	C	S	.	.	S	Bend	trans	73	2.9	174.9	0	0	0	0	0	115.7	H52 E122 S124 T161	H52-G113 PolarHBondContact ND1-O 3.2Å; G113-E122 VanDerWaalsContact O-OE1 3.1Å; G113-S124 CarbonylContact O-C 3.54Å; G113-S124 WeakPolarHBondContact O-CB 3.18Å; G113-S124 PolarHBondContact O-OG 2.93Å; G113-T161 WeakPolarHBondContact CA-O 3.45Å
114	A	96.1	Very high	95.7	Very high	8 Å²	8	55.7 Å²	55.7	7%	0.066	27%	0.273	C	S	.	.			trans	-80.4	135.2	175.6	0	0	0	0	0	111.5	I111 L112 E122 W185	I111-A114 HydrophobicContact CG2-CB 3.89Å; L112-A114 PolarHBondContact O-N 2.74Å; A114-E122 VanDerWaalsContact CA-OE1 3.22Å; A114-E122 WeakPolarHBondContact CA-OE1 3.44Å; A114-W185 WeakPolarHBondContact O-CZ2 3.49Å
115	H	94.6	Very high	95.8	Very high	15 Å²	15	54.4 Å²	54.4	7%	0.069	26%	0.262	C	S	.	.	S	Bend	trans	-98.5	-47	166.2	-178.8	58.3	0	0	0	110.5	A49 P51 E122 W185 A196 L197	A49-H115 PolarHBondContact O-CE1 3.42Å; P51-H115 HydrophobicContact CB-CB 4.41Å; H115-E122 VanDerWaalsContact N-CD 3.32Å; H115-E122 PolarHBondContact N-OE1 3.03Å; H115-E122 PolarHBondContact N-OE2 2.9Å; H115-E122 VanDerWaalsContact N-OE2 3.13Å; H115-W185 PolarHBondContact O-NE1 2.83Å; H115-W185 VanDerWaalsContact O-NE1 3.12Å; H115-A196 CarbonylContact O-C 2.87Å; H115-L197 WeakPolarHBondContact O-CB 3.14Å; H115-L197 PolarHBondContact O-N 2.8Å
116	N	93.7	Very high	95.9	Very high	47 Å²	47	58 Å²	58	25%	0.251	28%	0.275	S	S	.	.	B	Isolated β-bridge	trans	-102.8	109.1	174.6	-170.6	-32.4	0	0	0	110.7	L118 N119 E122 G195	N116-L118 PolarHBondContact O-N 3.11Å; N116-L118 VanDerWaalsContact O-N 3.12Å; N116-L118 WeakPolarHBondContact OD1-CA 3.1Å; N116-L118 WeakPolarHBondContact OD1-CB 3.33Å; N116-L118 PolarHBondContact OD1-N 3.14Å; N116-N119 HydrophobicContact CB-CB 4.06Å; N116-N119 PolarHBondContact O-N 3.27Å; N116-E122 PolarHBondContact N-OE2 3.2Å; N116-G195 CarbonylContact C-O 3.52Å; N116-G195 VanDerWaalsContact CA-O 3.3Å; N116-G195 WeakPolarHBondContact CA-O 3.39Å; N116-G195 WeakPolarHBondContact OD1-CA 3.38Å; N116-G195 PolarHBondContact OD1-O 3.19Å
117	R	92.5	Very high	95.9	Very high	86 Å²	86	53.8 Å²	53.8	33%	0.325	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-24	-179.1	65.6	164.5	178	137.1	0.2	114.1	L59 W185 G195	L59-R117 HydrophobicContact CD2-CB 3.79Å; R117-W185 HydrophobicContact CB-CD2 4.33Å; R117-W185 HydrophobicContact CB-CG 4.16Å; R117-W185 HydrophobicContact CG-CB 4.25Å; R117-W185 HydrophobicContact CG-CG 4.02Å; R117-G195 WeakPolarHBondContact CG-O 3.34Å; R117-G195 PolarHBondContact N-O 2.91Å
118	L	92	Very high	96	Very high	99 Å²	99	52.3 Å²	52.3	52%	0.518	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-7.7	-179.7	-58.2	-177.9	0	0	0	112.8	N116 P120 L194	N116-L118 PolarHBondContact O-N 3.11Å; N116-L118 VanDerWaalsContact O-N 3.12Å; N116-L118 WeakPolarHBondContact OD1-CA 3.1Å; N116-L118 WeakPolarHBondContact OD1-CB 3.33Å; N116-L118 PolarHBondContact OD1-N 3.14Å; L118-P120 WeakPolarHBondContact O-CD 3.43Å; L118-L194 HydrophobicContact CD1-CB 4.02Å
119	N	93.7	Very high	96	Very high	61 Å²	61	58.7 Å²	58.7	33%	0.326	28%	0.283	S	S	.	.			trans	-92.8	103.1	174.7	-173.4	4.1	0	0	0	110.5	N116 Y121 E122 R125	N116-N119 HydrophobicContact CB-CB 4.06Å; N116-N119 PolarHBondContact O-N 3.27Å; N119-Y121 PolarHBondContact O-N 3.27Å; N119-Y121 PolarHBondContact OD1-N 2.75Å; N119-E122 HydrophobicContact CB-CB 4.38Å; N119-E122 PolarHBondContact OD1-N 3.18Å; N119-R125 PolarHBondContact O-NH1 3.42Å
120	P	93.2	Very high	96	Very high	75 Å²	75	57.6 Å²	57.6	49%	0.487	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-14.8	175.7	32	-36.1	0	0	0	113.4	L118	L118-P120 WeakPolarHBondContact O-CD 3.43Å
121	Y	94.9	Very high	95.8	Very high	203 Å²	203	61.3 Å²	61.3	80%	0.796	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	9.4	-174.7	-52.6	-66.5	0	0	0	113.6	N119 E123	N119-Y121 PolarHBondContact O-N 3.27Å; N119-Y121 PolarHBondContact OD1-N 2.75Å; Y121-E123 PolarHBondContact O-N 3.5Å
122	E	95.1	Very high	95.7	Very high	25 Å²	25	61.6 Å²	61.6	12%	0.117	29%	0.293	C	S	.	.			trans	-63.4	120.1	176.2	-164.9	-176.5	122.5	0	0	110.2	H52 G113 A114 H115 N116 N119 S124 R125	H52-E122 IonicContact CE1-OE1 2.78Å; H52-E122 PolarHBondContact CE1-OE1 3.09Å; H52-E122 IonicContact ND1-OE1 2.63Å; G113-E122 VanDerWaalsContact O-OE1 3.1Å; A114-E122 VanDerWaalsContact CA-OE1 3.22Å; A114-E122 WeakPolarHBondContact CA-OE1 3.44Å; H115-E122 VanDerWaalsContact N-CD 3.32Å; H115-E122 PolarHBondContact N-OE1 3.03Å; H115-E122 PolarHBondContact N-OE2 2.9Å; H115-E122 VanDerWaalsContact N-OE2 3.13Å; N116-E122 PolarHBondContact N-OE2 3.2Å; N119-E122 HydrophobicContact CB-CB 4.38Å; N119-E122 PolarHBondContact OD1-N 3.18Å; E122-S124 PolarHBondContact O-N 2.93Å; E122-S124 VanDerWaalsContact O-N 3.15Å; E122-S124 PolarHBondContact OE1-OG 2.89Å; E122-R125 HydrophobicContact CB-CB 4.19Å; E122-R125 WeakPolarHBondContact O-CB 3.2Å; E122-R125 PolarHBondContact O-N 3.15Å
123	E	96.1	Very high	95.7	Very high	181 Å²	181	63.6 Å²	63.6	85%	0.846	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-33.7	-170.7	-66.2	-174.3	165.2	0	0	113.8	Y121 R125 K126	Y121-E123 PolarHBondContact O-N 3.5Å; E123-R125 VanDerWaalsContact C-N 3.3Å; E123-R125 PolarHBondContact O-N 3.26Å; E123-K126 PolarHBondContact O-NZ 3.01Å
124	S	96	Very high	95.7	Very high	17 Å²	17	65.4 Å²	65.4	12%	0.119	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-16.6	177.8	51.7	0	0	0	0	113.7	H52 G113 E122 K126	H52-S124 PolarHBondContact CE1-OG 2.63Å; G113-S124 CarbonylContact O-C 3.54Å; G113-S124 WeakPolarHBondContact O-CB 3.18Å; G113-S124 PolarHBondContact O-OG 2.93Å; E122-S124 PolarHBondContact O-N 2.93Å; E122-S124 VanDerWaalsContact O-N 3.15Å; E122-S124 PolarHBondContact OE1-OG 2.89Å; S124-K126 PolarHBondContact O-N 3.25Å
125	R	97.2	Very high	95.8	Very high	49 Å²	49	66.5 Å²	66.5	19%	0.185	32%	0.318	C	S	.	.			trans	-63.8	128.2	178.9	-176.9	-176.3	169.9	130.3	-2.2	110	I111 L112 N119 E122 E123	I111-R125 VanDerWaalsContact CD1-NH2 3.28Å; I111-R125 HydrophobicContact CG2-CG 3.64Å; L112-R125 WeakPolarHBondContact O-CA 3.32Å; N119-R125 PolarHBondContact O-NH1 3.42Å; E122-R125 HydrophobicContact CB-CB 4.19Å; E122-R125 WeakPolarHBondContact O-CB 3.2Å; E122-R125 PolarHBondContact O-N 3.15Å; E123-R125 VanDerWaalsContact C-N 3.3Å; E123-R125 PolarHBondContact O-N 3.26Å
126	K	97.9	Very high	95.9	Very high	98 Å²	98	67.5 Å²	67.5	43%	0.426	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	127.8	172.1	-55.9	-63.1	161	-134.3	0	109.6	I111 L112 E123 S124 I162	I111-K126 WeakPolarHBondContact CA-O 3.39Å; L112-K126 PolarHBondContact N-O 2.74Å; L112-K126 PolarHBondContact O-N 3.28Å; E123-K126 PolarHBondContact O-NZ 3.01Å; S124-K126 PolarHBondContact O-N 3.25Å; K126-I162 HydrophobicContact CB-CD1 3.95Å; K126-I162 HydrophobicContact CG-CD1 3.51Å
127	V	97.7	Very high	95.9	Very high	79 Å²	79	73 Å²	73	48%	0.479	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	127.6	178.3	-174.2	0	0	0	0	108.4	T109 I111	T109-V127 HydrophobicContact CG2-CG1 4.39Å; I111-V127 HydrophobicContact CG1-CG2 4.26Å
128	H	98.2	Very high	96.1	Very high	17 Å²	17	70 Å²	70	8%	0.079	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	137.6	177.6	-65.5	-98.7	0	0	0	109.9	T109 V110 L152 S154	T109-H128 CarbonylContact C-O 3.57Å; T109-H128 WeakPolarHBondContact CA-O 3.08Å; V110-H128 HydrophobicContact CB-CB 4.5Å; V110-H128 PolarHBondContact N-O 3.22Å; V110-H128 PolarHBondContact O-N 3.35Å; H128-L152 HydrophobicContact CB-CB 4.5Å; H128-L152 HydrophobicContact CB-CD1 4.03Å; H128-L152 HydrophobicContact CB-CD2 3.9Å; H128-L152 HydrophobicContact CB-CG 4.36Å; H128-S154 PolarHBondContact ND1-O 2.79Å
129	F	97.8	Very high	96.1	Very high	135 Å²	135	69.9 Å²	69.9	59%	0.592	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	154.4	168	-64.2	-72.4	0	0	0	110.5	T109 L152 S153	T109-F129 HydrophobicContact CG2-CD1 3.96Å; T109-F129 HydrophobicContact CG2-CE1 4.07Å; F129-L152 WeakPolarHBondContact O-CA 3.31Å; F129-S153 PolarHBondContact O-N 3.29Å; F129-S153 PolarHBondContact O-OG 2.92Å
130	V	97.4	Very high	96	Very high	7 Å²	7	68.2 Å²	68.2	4%	0.042	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	125	174.9	179.2	0	0	0	0	109.2	V108 V110 G132 L150 K151	V108-V130 HydrophobicContact CB-CB 4.26Å; V108-V130 HydrophobicContact CB-CG2 4.02Å; V108-V130 HydrophobicContact CG1-CB 4.48Å; V108-V130 HydrophobicContact CG1-CG2 3.75Å; V108-V130 PolarHBondContact O-N 2.77Å; V110-V130 HydrophobicContact CG2-CG2 3.73Å; V130-G132 WeakPolarHBondContact CG1-O 3.28Å; V130-L150 HydrophobicContact CG1-CB 4.22Å; V130-L150 HydrophobicContact CG1-CG 4.32Å; V130-L150 HydrophobicContact CG2-CD2 4.17Å; V130-K151 CarbonylContact C-O 3.23Å
131	R	95.4	Very high	95.7	Very high	78 Å²	78	69.7 Å²	69.7	29%	0.294	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	-35.4	176.7	-170.5	176.4	179.3	120.7	-1	111.9	K151 S153 L287 E291	R131-K151 PolarHBondContact N-O 3.48Å; R131-S153 PolarHBondContact N-OG 3.49Å; R131-L287 HydrophobicContact CB-CD1 4.29Å; R131-L287 HydrophobicContact CG-CB 4.32Å; R131-L287 HydrophobicContact CG-CD1 4.04Å; R131-L287 PolarHBondContact NE-O 3.02Å; R131-L287 PolarHBondContact NH2-O 3.04Å; R131-E291 IonicContact CZ-OE1 3.18Å; R131-E291 IonicContact NH1-OE1 3.12Å; R131-E291 PolarHBondContact NH1-OE1 2.73Å; R131-E291 IonicContact NH2-OE1 3.85Å; R131-E291 PolarHBondContact NH2-OE1 3.09Å
132	G	96.2	Very high	95.3	Very high	8 Å²	8	62 Å²	62	8%	0.082	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.8	174.5	-178.1	0	0	0	0	0	110.8	V130 K151	V130-G132 WeakPolarHBondContact CG1-O 3.28Å; G132-K151 PolarHBondContact O-N 2.85Å
133	Y	97.2	Very high	95	Very high	42 Å²	42	62.1 Å²	62.1	17%	0.165	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	162.8	178.4	63.1	-91.5	0	0	0	111.3	M94 W102 I103 V149	M94-Y133 HydrophobicContact CB-CD2 4.19Å; M94-Y133 HydrophobicContact CB-CE2 3.81Å; M94-Y133 HydrophobicContact CE-CD1 3.5Å; M94-Y133 VanDerWaalsContact CE-CD1 3.5Å; M94-Y133 HydrophobicContact CE-CD2 4.39Å; M94-Y133 HydrophobicContact CE-CE1 3.48Å; M94-Y133 VanDerWaalsContact CE-CE1 3.48Å; M94-Y133 HydrophobicContact CE-CE2 4.39Å; M94-Y133 HydrophobicContact CE-CG 3.97Å; M94-Y133 HydrophobicContact CG-CD2 4.31Å; M94-Y133 HydrophobicContact CG-CE2 4.41Å; W102-Y133 AromaticContact CE3-CE2 3.78Å; W102-Y133 HydrophobicContact CE3-CE2 3.78Å; W102-Y133 HydrophobicContact CZ3-CE2 4.18Å; I103-Y133 PolarHBondContact N-OH 3.37Å; I103-Y133 WeakPolarHBondContact O-CE1 3.32Å; I103-Y133 VanDerWaalsContact O-CZ 3.27Å; I103-Y133 PolarHBondContact O-OH 3.32Å; Y133-V149 CarbonylContact C-O 3.55Å; Y133-V149 WeakPolarHBondContact CA-O 3.35Å; Y133-V149 WeakPolarHBondContact CB-O 3.22Å
134	L	97.3	Very high	94.8	Very high	44 Å²	44	55.1 Å²	55.1	23%	0.23	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	138.6	171.4	-71.4	178.3	0	0	0	109.6	A148 V149 W275 A279 W282 L283	L134-A148 CarbonylContact O-C 3.47Å; L134-A148 WeakPolarHBondContact O-CA 3.22Å; L134-A148 WeakPolarHBondContact O-CB 3.3Å; L134-V149 PolarHBondContact N-O 2.83Å; L134-V149 PolarHBondContact O-N 2.7Å; L134-W275 HydrophobicContact CB-CZ2 4.48Å; L134-A279 HydrophobicContact CB-CB 4.34Å; L134-A279 HydrophobicContact CD1-CB 3.88Å; L134-W282 HydrophobicContact CD1-CB 4.05Å; L134-W282 HydrophobicContact CD1-CD2 3.9Å; L134-W282 HydrophobicContact CD1-CE3 3.54Å; L134-W282 HydrophobicContact CD1-CG 4.13Å; L134-W282 HydrophobicContact CD1-CZ3 4.3Å; L134-W282 HydrophobicContact CD2-CD2 4.48Å; L134-W282 HydrophobicContact CD2-CE3 3.91Å; L134-W282 HydrophobicContact CD2-CH2 4.34Å; L134-W282 HydrophobicContact CD2-CZ3 3.83Å; L134-W282 HydrophobicContact CG-CE3 3.92Å; L134-W282 HydrophobicContact CG-CZ3 4.18Å; L134-L283 HydrophobicContact CD1-CG 4.1Å; L134-L283 HydrophobicContact CG-CD1 4.47Å; L134-L283 HydrophobicContact CG-CD2 4.09Å; L134-L283 HydrophobicContact CG-CG 4.12Å
135	A	97.8	Very high	94.7	Very high	30 Å²	30	55 Å²	55	25%	0.248	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	143	171.2	0	0	0	0	0	110.1	A91 W102 F137 I147 A148	A91-A135 HydrophobicContact CB-CB 4Å; W102-A135 HydrophobicContact CH2-CB 3.31Å; W102-A135 HydrophobicContact CZ2-CB 4.28Å; W102-A135 HydrophobicContact CZ3-CB 3.58Å; A135-F137 PolarHBondContact O-N 3.13Å; A135-I147 WeakPolarHBondContact CA-O 3.46Å; A135-A148 HydrophobicContact CB-CB 4.24Å
136	H	96.9	Very high	94.7	Very high	37 Å²	37	52.8 Å²	52.8	17%	0.171	27%	0.274	C	S	.	.			trans	-85.8	101.7	-176.9	-170	68.7	0	0	0	111.2	Y138 N145 I147 Y272 W275	H136-Y138 WeakPolarHBondContact O-CA 3.31Å; H136-Y138 PolarHBondContact O-N 3.04Å; H136-N145 WeakPolarHBondContact O-CB 3.49Å; H136-I147 HydrophobicContact CB-CG2 3.58Å; H136-I147 PolarHBondContact N-O 3.01Å; H136-I147 VanDerWaalsContact N-O 3.12Å; H136-Y272 AromaticContact CD2-CD1 3.96Å; H136-Y272 AromaticContact CD2-CE1 3.51Å; H136-W275 HydrophobicContact CB-CD2 3.82Å; H136-W275 VanDerWaalsContact CB-CE2 3.46Å; H136-W275 HydrophobicContact CB-CE3 4.28Å; H136-W275 HydrophobicContact CB-CG 4.4Å; H136-W275 HydrophobicContact CB-CH2 4.07Å; H136-W275 HydrophobicContact CB-CZ2 3.59Å; H136-W275 HydrophobicContact CB-CZ3 4.41Å; H136-W275 AromaticContact CE1-CD1 3.68Å; H136-W275 AromaticContact CG-CD1 3.96Å; H136-W275 AromaticContact CG-CD2 3.99Å; H136-W275 AromaticContact CG-CE2 3.88Å; H136-W275 AromaticContact CG-NE1 3.81Å; H136-W275 AromaticContact ND1-CD1 2.99Å; H136-W275 AromaticContact ND1-CD2 3.75Å; H136-W275 AromaticContact ND1-CE2 3.6Å; H136-W275 AromaticContact ND1-CG 3.39Å; H136-W275 AromaticContact ND1-NE1 3.08Å; H136-W275 PolarHBondContact ND1-NE1 2.96Å
137	F	94.4	Very high	94.7	Very high	162 Å²	162	48.1 Å²	48.1	71%	0.711	25%	0.254	S	S	*	.	S	Bend	trans	36.3	41.5	171.3	-59.4	-62.4	0	0	0	115.2	A135 Q139	A135-F137 PolarHBondContact O-N 3.13Å; F137-Q139 PolarHBondContact O-N 3.16Å
138	Y	95.1	Very high	94.7	Very high	23 Å²	23	44.4 Å²	44.4	9%	0.09	23%	0.231	C	C	.	.			trans	-64.8	132.1	-168.2	173.9	-122.2	0	0	0	110.5	A91 H92 Y95 W102 H136 P140 T143 D144 D146	A91-Y138 HydrophobicContact CB-CD1 3.98Å; A91-Y138 HydrophobicContact CB-CD2 3.68Å; A91-Y138 HydrophobicContact CB-CE2 4.33Å; A91-Y138 HydrophobicContact CB-CG 3.5Å; A91-Y138 VanDerWaalsContact CB-CG 3.5Å; H92-Y138 HydrophobicContact CB-CE1 4.16Å; H92-Y138 HydrophobicContact CB-CE2 4.38Å; H92-Y138 WeakPolarHBondContact CB-OH 3.29Å; Y95-Y138 HydrophobicContact CD1-CE1 4.09Å; Y95-Y138 HydrophobicContact CG-CD1 4.4Å; Y95-Y138 HydrophobicContact CG-CE1 4.12Å; W102-Y138 HydrophobicContact CH2-CD1 4.01Å; W102-Y138 HydrophobicContact CH2-CG 4.43Å; W102-Y138 HydrophobicContact CZ2-CD1 4.43Å; H136-Y138 WeakPolarHBondContact O-CA 3.31Å; H136-Y138 PolarHBondContact O-N 3.04Å; Y138-P140 HydrophobicContact CD1-CG 3.95Å; Y138-P140 HydrophobicContact CE1-CB 3.95Å; Y138-P140 HydrophobicContact CE1-CG 3.69Å; Y138-P140 WeakPolarHBondContact O-CD 3.43Å; Y138-T143 HydrophobicContact CE2-CG2 4.39Å; Y138-D144 WeakPolarHBondContact CD2-O 3.5Å; Y138-D146 HydrophobicContact CD2-CB 4.25Å; Y138-D146 HydrophobicContact CE2-CB 3.96Å
139	Q	92.8	Very high	94.8	Very high	96 Å²	96	43.6 Å²	43.6	45%	0.449	23%	0.227	S	C	.	.	B	Isolated β-bridge	trans	-112	98.7	178.5	-60	-174.2	31.8	0	0	110.6	F137 S141 A142 T143 D144	F137-Q139 PolarHBondContact O-N 3.16Å; Q139-S141 VanDerWaalsContact C-N 3.26Å; Q139-S141 PolarHBondContact O-N 3.3Å; Q139-S141 VanDerWaalsContact O-N 3.14Å; Q139-A142 PolarHBondContact O-N 3.48Å; Q139-T143 WeakPolarHBondContact O-CA 3.38Å; Q139-T143 PolarHBondContact O-N 3.11Å; Q139-D144 HydrophobicContact CB-CB 4.24Å; Q139-D144 PolarHBondContact N-O 3.3Å; Q139-D144 PolarHBondContact O-N 2.95Å
140	P	91	Very high	94.8	Very high	26 Å²	26	37.1 Å²	37.1	17%	0.169	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-22.9	-171.3	-22.2	30.9	0	0	0	116	Y95 K97 Y138	Y95-P140 HydrophobicContact CD1-CB 4.06Å; Y95-P140 HydrophobicContact CD1-CG 3.85Å; Y95-P140 HydrophobicContact CE1-CB 3.56Å; Y95-P140 HydrophobicContact CE1-CG 3.3Å; Y95-P140 HydrophobicContact CE2-CG 4.18Å; Y95-P140 HydrophobicContact CG-CG 4.46Å; Y95-P140 VanDerWaalsContact CZ-CG 3.49Å; K97-P140 WeakPolarHBondContact CE-O 3.31Å; K97-P140 PolarHBondContact NZ-O 3.37Å; Y138-P140 HydrophobicContact CD1-CG 3.95Å; Y138-P140 HydrophobicContact CE1-CB 3.95Å; Y138-P140 HydrophobicContact CE1-CG 3.69Å; Y138-P140 WeakPolarHBondContact O-CD 3.43Å
141	S	87.7	Confident	94.8	Very high	107 Å²	107	37.4 Å²	37.4	75%	0.748	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-41.3	178.8	48.9	0	0	0	0	111.8	Q139	Q139-S141 VanDerWaalsContact C-N 3.26Å; Q139-S141 PolarHBondContact O-N 3.3Å; Q139-S141 VanDerWaalsContact O-N 3.14Å
142	A	86.8	Confident	94.9	Very high	42 Å²	42	33.9 Å²	33.9	35%	0.347	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-14.5	179.6	0	0	0	0	0	113.5	Q139 D144	Q139-A142 PolarHBondContact O-N 3.48Å; A142-D144 HydrophobicContact CB-CB 4.07Å; A142-D144 PolarHBondContact O-N 3.29Å
143	T	88.2	Confident	94.9	Very high	26 Å²	26	36.3 Å²	36.3	16%	0.16	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	34.9	-165.4	-43.7	0	0	0	0	111	Y138 Q139 D146	Y138-T143 HydrophobicContact CE2-CG2 4.39Å; Q139-T143 WeakPolarHBondContact O-CA 3.38Å; Q139-T143 PolarHBondContact O-N 3.11Å; T143-D146 HydrophobicContact CG2-CB 4.08Å
144	D	90.9	Very high	94.7	Very high	34 Å²	34	37.3 Å²	37.3	18%	0.182	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-87.5	147	178.7	-176.5	29.2	0	0	0	110.7	Y138 Q139 A142 D146 Q219	Y138-D144 WeakPolarHBondContact CD2-O 3.5Å; Q139-D144 HydrophobicContact CB-CB 4.24Å; Q139-D144 PolarHBondContact N-O 3.3Å; Q139-D144 PolarHBondContact O-N 2.95Å; A142-D144 HydrophobicContact CB-CB 4.07Å; A142-D144 PolarHBondContact O-N 3.29Å; D144-D146 VanDerWaalsContact C-N 3.32Å; D144-D146 PolarHBondContact O-N 2.83Å; D144-Q219 PolarHBondContact OD1-NE2 2.98Å
145	N	94.7	Very high	94.6	Very high	16 Å²	16	37.5 Å²	37.5	9%	0.086	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	47.4	-174.1	-52.6	-61.9	0	0	0	113.1	H136 I147 Q219 Y272	H136-N145 WeakPolarHBondContact O-CB 3.49Å; N145-I147 PolarHBondContact O-N 3.27Å; N145-Q219 PolarHBondContact OD1-NE2 3.01Å; N145-Q219 VanDerWaalsContact OD1-NE2 3.08Å; N145-Y272 PolarHBondContact OD1-OH 3.37Å
146	D	96.8	Very high	94.6	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.011	21%	0.208	C	C	.	.			trans	-76.4	54.7	-173.7	-172	24.6	0	0	0	113.9	A90 A91 H92 Y138 T143 D144 S255 V267	A90-D146 VanDerWaalsContact CA-O 3.24Å; A90-D146 WeakPolarHBondContact CA-O 3.48Å; A91-D146 VanDerWaalsContact N-C 3.3Å; A91-D146 PolarHBondContact N-O 2.9Å; A91-D146 PolarHBondContact N-OD1 2.85Å; H92-D146 WeakPolarHBondContact CB-OD1 3.4Å; H92-D146 IonicContact CE1-OD2 3.52Å; H92-D146 PolarHBondContact CE1-OD2 2.81Å; H92-D146 IonicContact CG-OD1 3.84Å; H92-D146 IonicContact CG-OD2 3.47Å; H92-D146 PolarHBondContact N-OD1 2.87Å; H92-D146 VanDerWaalsContact ND1-CG 3.3Å; H92-D146 IonicContact ND1-OD1 3.65Å; H92-D146 PolarHBondContact ND1-OD1 2.94Å; H92-D146 VanDerWaalsContact ND1-OD1 3.12Å; H92-D146 IonicContact ND1-OD2 3.84Å; H92-D146 PolarHBondContact ND1-OD2 2.85Å; Y138-D146 HydrophobicContact CD2-CB 4.25Å; Y138-D146 HydrophobicContact CE2-CB 3.96Å; T143-D146 HydrophobicContact CG2-CB 4.08Å; D144-D146 VanDerWaalsContact C-N 3.32Å; D144-D146 PolarHBondContact O-N 2.83Å; D146-S255 WeakPolarHBondContact OD2-CB 3.44Å; D146-S255 PolarHBondContact OD2-OG 3.31Å; D146-V267 HydrophobicContact CB-CG2 3.89Å; D146-V267 VanDerWaalsContact O-CG2 3.28Å; D146-V267 WeakPolarHBondContact O-CG2 3.34Å
147	I	98.4	Very high	94.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	23%	0.227	C	C	.	.			trans	-132.4	136.6	-174.8	-170	173.9	0	0	0	112.6	L88 A135 H136 N145 I253 V267 Y272 W275 I276	L88-I147 HydrophobicContact CD1-CD1 4.09Å; L88-I147 HydrophobicContact CD1-CG1 4.08Å; A135-I147 WeakPolarHBondContact CA-O 3.46Å; H136-I147 HydrophobicContact CB-CG2 3.58Å; H136-I147 PolarHBondContact N-O 3.01Å; H136-I147 VanDerWaalsContact N-O 3.12Å; N145-I147 PolarHBondContact O-N 3.27Å; I147-I253 HydrophobicContact CB-CD1 4.39Å; I147-I253 HydrophobicContact CD1-CD1 3.81Å; I147-I253 HydrophobicContact CG1-CD1 3.6Å; I147-V267 HydrophobicContact CB-CG1 4.24Å; I147-V267 HydrophobicContact CD1-CG1 4.49Å; I147-Y272 HydrophobicContact CD1-CD2 4.19Å; I147-Y272 HydrophobicContact CD1-CG 3.96Å; I147-Y272 HydrophobicContact CG2-CD1 4.02Å; I147-Y272 HydrophobicContact CG2-CE1 4.19Å; I147-Y272 HydrophobicContact CG2-CG 4.18Å; I147-W275 HydrophobicContact CB-CZ3 4.25Å; I147-W275 HydrophobicContact CD1-CE3 4.05Å; I147-W275 HydrophobicContact CD1-CZ3 3.68Å; I147-W275 HydrophobicContact CG1-CE3 4.43Å; I147-W275 HydrophobicContact CG1-CH2 4.29Å; I147-W275 HydrophobicContact CG1-CZ3 3.63Å; I147-W275 HydrophobicContact CG2-CE3 4.15Å; I147-W275 HydrophobicContact CG2-CH2 4.13Å; I147-W275 HydrophobicContact CG2-CZ3 3.77Å; I147-I276 HydrophobicContact CD1-CD1 4.02Å; I147-I276 HydrophobicContact CD1-CG1 4.07Å
148	A	98.5	Very high	94.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	146.7	174.2	0	0	0	0	0	112.6	T89 A91 M94 L134 A135 L150	T89-A148 HydrophobicContact CG2-CB 4.17Å; T89-A148 PolarHBondContact N-O 2.89Å; T89-A148 PolarHBondContact O-N 3.17Å; A91-A148 HydrophobicContact CB-CB 4.49Å; M94-A148 HydrophobicContact CG-CB 4.3Å; L134-A148 CarbonylContact O-C 3.47Å; L134-A148 WeakPolarHBondContact O-CA 3.22Å; L134-A148 WeakPolarHBondContact O-CB 3.3Å; A135-A148 HydrophobicContact CB-CB 4.24Å; A148-L150 HydrophobicContact CB-CD1 4.12Å
149	V	98.5	Very high	94.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	122.1	169.8	179.2	0	0	0	0	108.3	L86 I87 L88 Y133 L134 W275 I276 A279 L283	L86-V149 HydrophobicContact CD2-CG1 3.98Å; I87-V149 WeakPolarHBondContact O-CA 2.98Å; L88-V149 HydrophobicContact CD1-CG2 4Å; Y133-V149 CarbonylContact C-O 3.55Å; Y133-V149 WeakPolarHBondContact CA-O 3.35Å; Y133-V149 WeakPolarHBondContact CB-O 3.22Å; L134-V149 PolarHBondContact N-O 2.83Å; L134-V149 PolarHBondContact O-N 2.7Å; V149-W275 HydrophobicContact CG2-CH2 3.95Å; V149-W275 HydrophobicContact CG2-CZ3 3.85Å; V149-I276 HydrophobicContact CG2-CG2 4.3Å; V149-A279 HydrophobicContact CB-CB 4.34Å; V149-A279 HydrophobicContact CG2-CB 4.22Å; V149-L283 HydrophobicContact CB-CD1 4.19Å; V149-L283 HydrophobicContact CG1-CD1 3.75Å
150	L	98.1	Very high	94.5	Very high	0 Å²	0	31 Å²	31	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	142.7	175.8	-71.5	55	0	0	0	109.2	I60 L86 I87 T89 M94 V108 V110 V130 A148	I60-L150 HydrophobicContact CD1-CD2 4.06Å; L86-L150 WeakPolarHBondContact CA-O 3.45Å; I87-L150 HydrophobicContact CB-CB 4.18Å; I87-L150 PolarHBondContact N-O 3.34Å; I87-L150 PolarHBondContact O-N 3.3Å; T89-L150 HydrophobicContact CG2-CD1 3.43Å; T89-L150 VanDerWaalsContact CG2-CD1 3.43Å; T89-L150 HydrophobicContact CG2-CD2 4.49Å; M94-L150 HydrophobicContact CE-CD2 4.31Å; M94-L150 HydrophobicContact CE-CG 4.41Å; M94-L150 HydrophobicContact CG-CD1 4.07Å; M94-L150 HydrophobicContact SD-CD1 4.2Å; M94-L150 HydrophobicContact SD-CD2 3.98Å; M94-L150 HydrophobicContact SD-CG 4.36Å; V108-L150 HydrophobicContact CG1-CD2 4.43Å; V110-L150 HydrophobicContact CG2-CD2 4.4Å; V130-L150 HydrophobicContact CG1-CB 4.22Å; V130-L150 HydrophobicContact CG1-CG 4.32Å; V130-L150 HydrophobicContact CG2-CD2 4.17Å; A148-L150 HydrophobicContact CB-CD1 4.12Å
151	K	97.6	Very high	94.7	Very high	13 Å²	13	31.1 Å²	31.1	6%	0.057	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	121.4	172.6	-172.5	70.6	-179.2	-177.5	0	109.8	D85 L86 V130 R131 G132 L283 D284 L287	D85-K151 VanDerWaalsContact CG-CE 3.5Å; D85-K151 WeakPolarHBondContact O-CA 3.27Å; D85-K151 IonicContact OD1-NZ 2.78Å; D85-K151 PolarHBondContact OD1-NZ 2.81Å; D85-K151 VanDerWaalsContact OD2-CE 3.3Å; D85-K151 WeakPolarHBondContact OD2-CE 3.17Å; D85-K151 IonicContact OD2-NZ 3.95Å; D85-K151 PolarHBondContact OD2-NZ 3.07Å; L86-K151 HydrophobicContact CD2-CD 3.77Å; V130-K151 CarbonylContact C-O 3.23Å; R131-K151 PolarHBondContact N-O 3.48Å; G132-K151 PolarHBondContact O-N 2.85Å; K151-L283 HydrophobicContact CB-CB 4.24Å; K151-L283 HydrophobicContact CB-CD1 4.29Å; K151-L283 HydrophobicContact CB-CD2 4.23Å; K151-L283 HydrophobicContact CB-CG 4.5Å; K151-L283 HydrophobicContact CD-CB 4.42Å; K151-L283 HydrophobicContact CG-CB 4.49Å; K151-D284 WeakPolarHBondContact CE-OD1 3.37Å; K151-D284 IonicContact NZ-OD1 3.88Å; K151-D284 PolarHBondContact NZ-OD1 3.22Å; K151-L287 HydrophobicContact CB-CD1 3.98Å; K151-L287 HydrophobicContact CG-CD1 4.11Å
152	L	97.6	Very high	95.1	Very high	3 Å²	3	26.3 Å²	26.3	2%	0.016	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	145.1	171.8	-56.5	-175	0	0	0	110.2	D85 I87 V110 L112 H128 F129 S154 A156	D85-L152 HydrophobicContact CB-CB 4.23Å; D85-L152 PolarHBondContact O-N 2.91Å; I87-L152 HydrophobicContact CD1-CD1 4.4Å; I87-L152 HydrophobicContact CD1-CD2 4.45Å; I87-L152 HydrophobicContact CG1-CD2 3.81Å; I87-L152 HydrophobicContact CG1-CG 4.22Å; V110-L152 HydrophobicContact CB-CD2 3.81Å; V110-L152 HydrophobicContact CG1-CD2 4.23Å; V110-L152 HydrophobicContact CG2-CD2 3.8Å; L112-L152 HydrophobicContact CD1-CD1 4.18Å; H128-L152 HydrophobicContact CB-CB 4.5Å; H128-L152 HydrophobicContact CB-CD1 4.03Å; H128-L152 HydrophobicContact CB-CD2 3.9Å; H128-L152 HydrophobicContact CB-CG 4.36Å; F129-L152 WeakPolarHBondContact O-CA 3.31Å; L152-S154 WeakPolarHBondContact CB-O 3.33Å; L152-S154 PolarHBondContact O-N 2.91Å; L152-A156 HydrophobicContact CD1-CB 4.36Å
153	S	95.5	Very high	95.5	Very high	60 Å²	60	24.4 Å²	24.4	42%	0.42	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	-26.4	176.2	-58.4	0	0	0	0	113.1	F129 R131	F129-S153 PolarHBondContact O-N 3.29Å; F129-S153 PolarHBondContact O-OG 2.92Å; R131-S153 PolarHBondContact N-OG 3.49Å
154	S	94.7	Very high	95.9	Very high	62 Å²	62	23.1 Å²	23.1	43%	0.434	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	138.3	172.1	56.2	0	0	0	0	110	H128 L152	H128-S154 PolarHBondContact ND1-O 2.79Å; L152-S154 WeakPolarHBondContact CB-O 3.33Å; L152-S154 PolarHBondContact O-N 2.91Å
155	P	95.5	Very high	96.2	Very high	49 Å²	49	21.5 Å²	21.5	32%	0.318	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	141.1	174.9	-22.9	33.2	0	0	0	113.1	E83 D85	E83-P155 HydrophobicContact CB-CB 3.82Å; E83-P155 VanDerWaalsContact CD-CB 3.49Å; E83-P155 HydrophobicContact CG-CB 3.76Å; D85-P155 HydrophobicContact CB-CB 4.16Å; D85-P155 HydrophobicContact CB-CG 4.22Å
156	A	96.9	Very high	96.2	Very high	1 Å²	1	21 Å²	21	1%	0.008	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	114.2	172.3	0	0	0	0	0	109.3	E83 S84 L112 L152 I162	E83-A156 VanDerWaalsContact CA-O 3.23Å; E83-A156 WeakPolarHBondContact CA-O 3.37Å; S84-A156 PolarHBondContact N-O 3.31Å; S84-A156 WeakPolarHBondContact O-CB 3.47Å; S84-A156 PolarHBondContact O-N 2.83Å; L112-A156 HydrophobicContact CD1-CB 3.56Å; L152-A156 HydrophobicContact CD1-CB 4.36Å; A156-I162 HydrophobicContact CB-CG2 4.01Å
157	A	95.7	Very high	96.2	Very high	68 Å²	68	21.4 Å²	21.4	56%	0.562	14%	0.143	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-62.5	135.3	174.8	0	0	0	0	0	110.6
158	H	94.8	Very high	96.1	Very high	32 Å²	32	21.4 Å²	21.4	15%	0.148	14%	0.143	C	C	.	.			trans	-69.6	138.7	178.6	-62.5	176.6	0	0	0	110.9	Y26 Q76 K81 N82 E83 S84 I162 P164	Y26-H158 HydrophobicContact CD2-CB 4.12Å; Q76-H158 PolarHBondContact NE2-CE1 3.05Å; Q76-H158 VanDerWaalsContact NE2-CE1 3.33Å; Q76-H158 PolarHBondContact OE1-CE1 3.4Å; K81-H158 PolarHBondContact O-CE1 2.89Å; N82-H158 VanDerWaalsContact C-CG 3.47Å; N82-H158 WeakPolarHBondContact O-CB 3.43Å; N82-H158 PolarHBondContact O-CD2 2.97Å; N82-H158 PolarHBondContact O-N 3.2Å; E83-H158 VanDerWaalsContact C-NE2 3.27Å; E83-H158 WeakPolarHBondContact CA-NE2 3.27Å; E83-H158 PolarHBondContact N-NE2 3.47Å; S84-H158 PolarHBondContact OG-NE2 3.02Å; H158-I162 CarbonylContact C-O 3.43Å; H158-I162 VanDerWaalsContact CA-O 3.28Å; H158-I162 WeakPolarHBondContact CA-O 3.22Å; H158-P164 WeakPolarHBondContact NE2-CD 3.38Å
159	S	93.6	Very high	95.9	Very high	33 Å²	33	25.5 Å²	25.5	23%	0.231	16%	0.163	C	C	.	.			trans	-148.3	176.4	-180	81.6	0	0	0	0	109.7	T161 I162	S159-T161 PolarHBondContact O-N 2.89Å; S159-T161 VanDerWaalsContact O-N 3.12Å; S159-T161 PolarHBondContact OG-N 3.13Å; S159-T161 VanDerWaalsContact OG-N 3.07Å; S159-T161 PolarHBondContact OG-OG1 2.72Å; S159-I162 PolarHBondContact N-O 3.46Å; S159-I162 PolarHBondContact O-N 3.33Å; S159-I162 PolarHBondContact OG-N 3.43Å
160	P	92.9	Very high	95.5	Very high	78 Å²	78	28.7 Å²	28.7	51%	0.506	18%	0.179	S	C	.	.	S	Bend	trans	-57.6	-19.8	170.3	-26.6	37	0	0	0	115	F31	F31-P160 WeakPolarHBondContact CD2-O 3.49Å; F31-P160 VanDerWaalsContact CE2-CA 3.49Å; F31-P160 HydrophobicContact CE2-CB 4.36Å; F31-P160 WeakPolarHBondContact CE2-O 3.19Å; F31-P160 HydrophobicContact CZ-CB 4.28Å
161	T	95.1	Very high	94.8	Very high	27 Å²	27	36.9 Å²	36.9	17%	0.166	22%	0.215	C	C	.	.	S	Bend	trans	-113.1	-9.1	-177.3	65.2	0	0	0	0	113.5	H52 P55 G113 S159	H52-T161 HydrophobicContact CB-CG2 3.76Å; P55-T161 WeakPolarHBondContact CA-O 3.06Å; G113-T161 WeakPolarHBondContact CA-O 3.45Å; S159-T161 PolarHBondContact O-N 2.89Å; S159-T161 VanDerWaalsContact O-N 3.12Å; S159-T161 PolarHBondContact OG-N 3.13Å; S159-T161 VanDerWaalsContact OG-N 3.07Å; S159-T161 PolarHBondContact OG-OG1 2.72Å
162	I	96.5	Very high	94.5	Very high	7 Å²	7	38.7 Å²	38.7	4%	0.036	23%	0.225	C	C	.	.			trans	-134.1	118.2	-179	-61	179.3	0	0	0	108.9	P55 L74 L112 K126 A156 H158 S159	P55-I162 WeakPolarHBondContact O-CA 3.19Å; L74-I162 HydrophobicContact CD2-CG2 3.81Å; L112-I162 HydrophobicContact CB-CD1 3.97Å; L112-I162 HydrophobicContact CB-CG1 4.13Å; L112-I162 HydrophobicContact CB-CG2 4.37Å; L112-I162 HydrophobicContact CD1-CG2 4.22Å; K126-I162 HydrophobicContact CB-CD1 3.95Å; K126-I162 HydrophobicContact CG-CD1 3.51Å; A156-I162 HydrophobicContact CB-CG2 4.01Å; H158-I162 CarbonylContact C-O 3.43Å; H158-I162 VanDerWaalsContact CA-O 3.28Å; H158-I162 WeakPolarHBondContact CA-O 3.22Å; S159-I162 PolarHBondContact N-O 3.46Å; S159-I162 PolarHBondContact O-N 3.33Å; S159-I162 PolarHBondContact OG-N 3.43Å
163	G	95	Very high	94	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.01	26%	0.256	C	S	.	.			trans	-172.3	146.1	-177.1	0	0	0	0	0	111.5	P55 W56	P55-G163 CarbonylContact C-O 3.58Å; P55-G163 VanDerWaalsContact C-O 3.23Å; P55-G163 PolarHBondContact O-N 2.99Å; W56-G163 WeakPolarHBondContact CA-O 3.16Å; W56-G163 WeakPolarHBondContact CB-O 3.41Å; W56-G163 PolarHBondContact N-O 3.08Å
164	P	96.7	Very high	93.8	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-77.7	150.3	-171.3	30	-36.6	0	0	0	113.7	H27 G28 L74 Q76 H158	H27-P164 WeakPolarHBondContact ND1-CG 3.44Å; G28-P164 PolarHBondContact N-O 3.47Å; L74-P164 HydrophobicContact CG-CB 4.42Å; L74-P164 CarbonylContact O-C 3.58Å; L74-P164 WeakPolarHBondContact O-CA 3.49Å; Q76-P164 HydrophobicContact CB-CB 3.57Å; Q76-P164 HydrophobicContact CB-CG 3.63Å; Q76-P164 HydrophobicContact CG-CG 4.45Å; H158-P164 WeakPolarHBondContact NE2-CD 3.38Å
165	V	96.6	Very high	93.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-87.2	153.9	165.6	69.5	0	0	0	0	110.7	H27 W56 L74 I75 L241 Y248 V250	H27-V165 PolarHBondContact CE1-O 3.34Å; W56-V165 HydrophobicContact CB-CB 3.86Å; W56-V165 HydrophobicContact CB-CG1 4.24Å; W56-V165 HydrophobicContact CD2-CB 3.74Å; W56-V165 HydrophobicContact CD2-CG2 4.19Å; W56-V165 HydrophobicContact CE3-CB 4.13Å; W56-V165 HydrophobicContact CG-CB 3.63Å; W56-V165 HydrophobicContact CG-CG1 4.3Å; W56-V165 HydrophobicContact CG-CG2 4.39Å; L74-V165 PolarHBondContact O-N 3.36Å; I75-V165 HydrophobicContact CG2-CG1 3.98Å; V165-L241 HydrophobicContact CG2-CD2 3.69Å; V165-Y248 WeakPolarHBondContact CG2-O 3.22Å; V165-V250 HydrophobicContact CG1-CB 3.94Å; V165-V250 HydrophobicContact CG1-CG1 3.85Å; V165-V250 HydrophobicContact CG2-CB 4.48Å
166	C	95.8	Very high	93.4	Very high	4 Å²	4	47.4 Å²	47.4	3%	0.027	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-69.2	141	173.5	-53.8	0	0	0	0	111.6	H27 Y248 F249 V250	H27-C166 PolarHBondContact CD2-SG 3.05Å; H27-C166 VanDerWaalsContact NE2-CA 3.31Å; H27-C166 WeakPolarHBondContact NE2-CA 3.47Å; C166-Y248 WeakPolarHBondContact CB-O 3.24Å; C166-Y248 PolarHBondContact N-O 2.79Å; C166-Y248 PolarHBondContact SG-O 2.84Å; C166-Y248 VanDerWaalsContact SG-O 3.42Å; C166-F249 HydrophobicContact CB-CB 4.25Å; C166-F249 HydrophobicContact CB-CD1 3.23Å; C166-F249 HydrophobicContact CB-CD2 3.96Å; C166-F249 HydrophobicContact CB-CE1 3.39Å; C166-F249 HydrophobicContact CB-CE2 4.09Å; C166-F249 HydrophobicContact CB-CG 3.53Å; C166-F249 HydrophobicContact CB-CZ 3.82Å; C166-F249 CarbonylContact O-C 3.52Å; C166-F249 VanDerWaalsContact O-CA 3.27Å; C166-F249 WeakPolarHBondContact O-CA 3.49Å; C166-V250 WeakPolarHBondContact O-CG1 3.43Å; C166-V250 PolarHBondContact O-N 3.43Å
167	V	96.5	Very high	93.2	Very high	12 Å²	12	50.2 Å²	50.2	7%	0.073	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-95	132	166.3	-177.4	0	0	0	0	107.8	I75 L77 V250 V269 I276	I75-V167 HydrophobicContact CB-CG2 3.76Å; I75-V167 HydrophobicContact CD1-CG2 4.03Å; I75-V167 HydrophobicContact CG2-CG2 3.7Å; L77-V167 HydrophobicContact CD2-CB 4.37Å; L77-V167 HydrophobicContact CD2-CG2 4.16Å; V167-V250 HydrophobicContact CG2-CG1 4.41Å; V167-V269 HydrophobicContact CG1-CG1 4.03Å; V167-I276 HydrophobicContact CG1-CD1 4.1Å
168	P	96	Very high	93.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-63.2	152.3	175.6	26.9	-35.1	0	0	0	111.5	D172 V250 F251 V269 S273	P168-D172 HydrophobicContact CB-CB 4Å; P168-V250 WeakPolarHBondContact CD-O 3.12Å; P168-F251 HydrophobicContact CB-CD1 4.08Å; P168-F251 HydrophobicContact CB-CE1 3.61Å; P168-F251 HydrophobicContact CB-CE2 4.39Å; P168-F251 HydrophobicContact CB-CZ 3.79Å; P168-F251 HydrophobicContact CG-CD1 4.14Å; P168-F251 HydrophobicContact CG-CE1 4.19Å; P168-V269 HydrophobicContact CG-CB 4.05Å; P168-V269 HydrophobicContact CG-CG1 3.83Å; P168-S273 WeakPolarHBondContact O-CB 3.28Å; P168-S273 PolarHBondContact O-OG 2.93Å
169	E	94.4	Very high	93.1	Very high	86 Å²	86	50.7 Å²	50.7	40%	0.402	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-76.4	160.7	171.4	-63.5	-62.8	161.2	0	0	111.1	K171 D172 S270 R277	E169-K171 PolarHBondContact O-N 3.21Å; E169-D172 PolarHBondContact N-OD2 3.1Å; E169-D172 WeakPolarHBondContact O-CB 3.45Å; E169-D172 PolarHBondContact O-N 2.87Å; E169-S270 PolarHBondContact O-OG 3.44Å; E169-R277 IonicContact OE1-CZ 3.61Å; E169-R277 IonicContact OE1-NH2 2.66Å; E169-R277 PolarHBondContact OE1-NH2 3.03Å; E169-R277 IonicContact OE2-CZ 2.58Å; E169-R277 IonicContact OE2-NE 2.71Å; E169-R277 IonicContact OE2-NH2 3.21Å; E169-R277 PolarHBondContact OE2-NH2 3.28Å
170	N	90.3	Very high	93.1	Very high	66 Å²	66	49.2 Å²	49.2	35%	0.353	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	127.9	176.3	-173.5	-15.8	0	0	0	109.3	D172 D274	N170-D172 VanDerWaalsContact C-N 3.31Å; N170-D274 PolarHBondContact ND2-OD2 3.06Å
171	K	82.7	Confident	93.2	Very high	172 Å²	172	46.2 Å²	46.2	75%	0.748	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	10.5	-177.3	-42.9	179.6	-177.3	170.4	0	115.2	E169 V173 S270	E169-K171 PolarHBondContact O-N 3.21Å; K171-V173 WeakPolarHBondContact O-CG2 3.1Å; K171-V173 PolarHBondContact O-N 2.97Å; K171-S270 PolarHBondContact N-OG 3.12Å
172	D	91.5	Very high	93.1	Very high	52 Å²	52	44.9 Å²	44.9	28%	0.278	26%	0.255	S	S	.	.			trans	-62	127.9	162.8	-78	-13.4	0	0	0	108.5	P168 E169 N170 F251 S270	P168-D172 HydrophobicContact CB-CB 4Å; E169-D172 PolarHBondContact N-OD2 3.1Å; E169-D172 WeakPolarHBondContact O-CB 3.45Å; E169-D172 PolarHBondContact O-N 2.87Å; N170-D172 VanDerWaalsContact C-N 3.31Å; D172-F251 HydrophobicContact CB-CE1 3.9Å; D172-F251 HydrophobicContact CB-CZ 4.05Å; D172-S270 PolarHBondContact N-OG 3.24Å; D172-S270 VanDerWaalsContact N-OG 3.13Å; D172-S270 VanDerWaalsContact O-CB 3.24Å; D172-S270 WeakPolarHBondContact O-CB 3.26Å; D172-S270 PolarHBondContact O-OG 3.01Å
173	V	88	Confident	93	Very high	108 Å²	108	44.6 Å²	44.6	66%	0.655	25%	0.254	S	S	*	.			trans	-113.5	132	-176.2	179.8	0	0	0	0	109.9	K171	K171-V173 WeakPolarHBondContact O-CG2 3.1Å; K171-V173 PolarHBondContact O-N 2.97Å
174	V	89.8	Confident	92.9	Very high	24 Å²	24	44.5 Å²	44.5	15%	0.145	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-99.2	122.3	161.9	-175.6	0	0	0	0	108.1	T178 I204 C242 F251	V174-T178 VanDerWaalsContact CG1-CB 3.4Å; V174-T178 HydrophobicContact CG1-CG2 3.63Å; V174-T178 WeakPolarHBondContact CG1-OG1 3.35Å; V174-I204 HydrophobicContact CB-CG1 4.39Å; V174-I204 HydrophobicContact CG1-CB 4.42Å; V174-I204 HydrophobicContact CG1-CG1 3.59Å; V174-C242 HydrophobicContact CG1-CB 4.5Å; V174-C242 HydrophobicContact CG2-CB 4.08Å; V174-F251 HydrophobicContact CB-CD1 4.44Å; V174-F251 HydrophobicContact CG2-CB 4.14Å; V174-F251 HydrophobicContact CG2-CD1 3.31Å; V174-F251 HydrophobicContact CG2-CD2 3.54Å; V174-F251 HydrophobicContact CG2-CE1 3.43Å; V174-F251 VanDerWaalsContact CG2-CE1 3.43Å; V174-F251 HydrophobicContact CG2-CE2 3.62Å; V174-F251 HydrophobicContact CG2-CG 3.36Å; V174-F251 HydrophobicContact CG2-CZ 3.58Å
175	K	91.7	Very high	92.6	Very high	154 Å²	154	45.4 Å²	45.4	67%	0.67	26%	0.256	S	S	*	.	P	Polyproline II helix	trans	-75.9	145.7	-176	-64.1	-178.5	-178	179.4	0	110.6	G177 T178	K175-G177 PolarHBondContact O-N 3.24Å; K175-T178 VanDerWaalsContact O-CB 3.28Å; K175-T178 WeakPolarHBondContact O-CB 3.35Å; K175-T178 PolarHBondContact O-N 2.91Å; K175-T178 VanDerWaalsContact O-N 3.07Å; K175-T178 PolarHBondContact O-OG1 3.26Å
176	P	91.8	Very high	91.9	Very high	71 Å²	71	45.8 Å²	45.8	46%	0.461	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.5	140.3	164.3	-27.1	35.6	0	0	0	111.4	I204 T206	P176-I204 CarbonylContact C-O 3.57Å; P176-I204 WeakPolarHBondContact CA-O 3.41Å; P176-T206 HydrophobicContact CB-CG2 3.78Å; P176-T206 HydrophobicContact CG-CG2 3.88Å
177	G	92.7	Very high	90.7	Very high	59 Å²	59	47.9 Å²	47.9	61%	0.608	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.2	-8.4	-172.3	0	0	0	0	0	114.8	K175 A179 I204	K175-G177 PolarHBondContact O-N 3.24Å; G177-A179 PolarHBondContact O-N 2.88Å; G177-I204 PolarHBondContact N-O 3.02Å
178	T	93.9	Very high	89.2	Confident	48 Å²	48	49.3 Å²	49.3	29%	0.294	29%	0.287	S	S	.	.			trans	-73.2	128.5	175.5	-53.2	0	0	0	0	110.5	V174 K175 T203 I204	V174-T178 VanDerWaalsContact CG1-CB 3.4Å; V174-T178 HydrophobicContact CG1-CG2 3.63Å; V174-T178 WeakPolarHBondContact CG1-OG1 3.35Å; K175-T178 VanDerWaalsContact O-CB 3.28Å; K175-T178 WeakPolarHBondContact O-CB 3.35Å; K175-T178 PolarHBondContact O-N 2.91Å; K175-T178 VanDerWaalsContact O-N 3.07Å; K175-T178 PolarHBondContact O-OG1 3.26Å; T178-T203 WeakPolarHBondContact O-CA 3.43Å; T178-I204 PolarHBondContact O-N 3.06Å
179	A	93	Very high	87.4	Confident	62 Å²	62	53.7 Å²	53.7	51%	0.512	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	127	170.3	0	0	0	0	0	110.5	G177	G177-A179 PolarHBondContact O-N 2.88Å
180	C	94.9	Very high	85.6	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.014	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	166.3	175.3	-57.9	0	0	0	0	109.2	S201 L202 L240 L241 C242	C180-S201 CarbonylContact O-C 3.59Å; C180-S201 WeakPolarHBondContact O-CA 3.23Å; C180-L202 PolarHBondContact N-O 2.89Å; C180-L202 PolarHBondContact O-N 3.07Å; C180-L202 VanDerWaalsContact O-O 3.07Å; C180-L240 HydrophobicContact CB-CD1 3.89Å; C180-L240 HydrophobicContact CB-CG 3.99Å; C180-L241 CarbonylContact C-O 3.59Å; C180-L241 VanDerWaalsContact CA-O 3.31Å; C180-L241 WeakPolarHBondContact CA-O 2.94Å; C180-L241 VanDerWaalsContact CB-O 3.29Å; C180-L241 WeakPolarHBondContact CB-O 2.88Å; C180-C242 HydrophobicContact CB-CB 4.09Å; C180-C242 WeakPolarHBondContact CB-SG 3.34Å; C180-C242 WeakPolarHBondContact SG-CB 2.99Å; C180-C242 CovalentContact SG-SG 2.04Å; C180-C242 PolarHBondContact SG-SG 2.97Å
181	L	93.8	Very high	84.1	Confident	15 Å²	15	58 Å²	58	8%	0.079	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	136.5	179.4	-62.8	173.8	0	0	0	109.4	F54 M199 V200 L241 Y248	F54-L181 HydrophobicContact CE1-CD1 4.46Å; L181-M199 HydrophobicContact CD1-CE 3.85Å; L181-M199 HydrophobicContact CD2-CE 3.84Å; L181-M199 HydrophobicContact CG-CE 4.43Å; L181-V200 WeakPolarHBondContact CA-O 3.47Å; L181-L241 HydrophobicContact CB-CB 4.45Å; L181-L241 PolarHBondContact N-O 2.96Å; L181-L241 WeakPolarHBondContact O-CA 3.25Å; L181-L241 WeakPolarHBondContact O-CB 3.12Å; L181-L241 PolarHBondContact O-N 2.94Å; L181-Y248 HydrophobicContact CD1-CE1 3.89Å
182	T	94.2	Very high	82.6	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	150	160.9	-174.6	0	0	0	0	109.5	M199 V200 L202 I231 P239	T182-M199 CarbonylContact O-C 3.05Å; T182-M199 VanDerWaalsContact O-CA 3.3Å; T182-M199 WeakPolarHBondContact O-CA 3.48Å; T182-V200 HydrophobicContact CG2-CG1 3.31Å; T182-V200 PolarHBondContact N-O 3.49Å; T182-V200 PolarHBondContact O-N 2.69Å; T182-L202 HydrophobicContact CG2-CD1 3.57Å; T182-L202 HydrophobicContact CG2-CG 4.11Å; T182-I231 HydrophobicContact CG2-CG2 4.07Å; T182-P239 WeakPolarHBondContact CA-O 3.42Å; T182-P239 PolarHBondContact OG1-O 3.39Å; T182-P239 VanDerWaalsContact OG1-O 3.1Å
183	I	93.5	Very high	81.1	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	145.8	-175	60.8	176.6	0	0	0	110	F54 Q57 L197 R198 M199 S238 P239 L241	F54-I183 HydrophobicContact CB-CD1 3.35Å; F54-I183 HydrophobicContact CD1-CD1 3.93Å; F54-I183 HydrophobicContact CD1-CG2 4.21Å; F54-I183 HydrophobicContact CD2-CD1 4.09Å; F54-I183 HydrophobicContact CD2-CG2 3.89Å; F54-I183 HydrophobicContact CE1-CG2 4.09Å; F54-I183 HydrophobicContact CE2-CG2 3.77Å; F54-I183 HydrophobicContact CG-CD1 3.53Å; F54-I183 HydrophobicContact CG-CG2 4.11Å; F54-I183 HydrophobicContact CZ-CG2 3.87Å; Q57-I183 HydrophobicContact CB-CD1 3.86Å; Q57-I183 HydrophobicContact CG-CD1 4.11Å; Q57-I183 HydrophobicContact CG-CG1 4.49Å; Q57-I183 PolarHBondContact NE2-O 2.88Å; Q57-I183 VanDerWaalsContact OE1-CD1 3.26Å; Q57-I183 VanDerWaalsContact OE1-CG1 3.28Å; I183-L197 HydrophobicContact CB-CD1 4.49Å; I183-R198 CarbonylContact C-O 3.5Å; I183-R198 WeakPolarHBondContact CA-O 3.34Å; I183-M199 HydrophobicContact CG2-CB 3.68Å; I183-S238 WeakPolarHBondContact O-CB 3.43Å; I183-S238 PolarHBondContact O-OG 3.47Å; I183-P239 HydrophobicContact CD1-CG 4.24Å; I183-P239 HydrophobicContact CG1-CG 3.97Å; I183-L241 HydrophobicContact CD1-CD1 3.99Å; I183-L241 HydrophobicContact CG1-CD1 4.32Å; I183-L241 HydrophobicContact CG2-CD1 4.49Å
184	G	93.2	Very high	80.3	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.8	178.6	-176.4	0	0	0	0	0	114.7	R198 D235	G184-R198 PolarHBondContact N-O 2.72Å; G184-R198 PolarHBondContact O-N 2.04Å; G184-D235 WeakPolarHBondContact CA-OD1 3.36Å
185	W	90.9	Very high	80.2	Confident	18 Å²	18	55 Å²	55	7%	0.068	31%	0.314	C	S	.	.			trans	-119.7	17.9	177.7	-60.4	-80.8	0	0	0	112.1	Q57 L59 A114 H115 R117 G195 L197 D235	Q57-W185 HydrophobicContact CB-CH2 4.5Å; Q57-W185 HydrophobicContact CG-CH2 3.46Å; Q57-W185 VanDerWaalsContact CG-CH2 3.46Å; Q57-W185 HydrophobicContact CG-CZ2 4.26Å; Q57-W185 HydrophobicContact CG-CZ3 3.64Å; L59-W185 HydrophobicContact CB-CE3 4.19Å; L59-W185 HydrophobicContact CB-CH2 3.9Å; L59-W185 HydrophobicContact CB-CZ3 3.58Å; L59-W185 HydrophobicContact CD1-CE3 4.14Å; L59-W185 HydrophobicContact CD1-CZ3 4.35Å; A114-W185 WeakPolarHBondContact O-CZ2 3.49Å; H115-W185 PolarHBondContact O-NE1 2.83Å; H115-W185 VanDerWaalsContact O-NE1 3.12Å; R117-W185 HydrophobicContact CB-CD2 4.33Å; R117-W185 HydrophobicContact CB-CG 4.16Å; R117-W185 HydrophobicContact CG-CB 4.25Å; R117-W185 HydrophobicContact CG-CG 4.02Å; W185-G195 PolarHBondContact NE1-O 3.21Å; W185-L197 HydrophobicContact CD2-CD1 3.82Å; W185-L197 HydrophobicContact CE3-CD1 4.2Å; W185-L197 HydrophobicContact CG-CD1 4.33Å; W185-L197 HydrophobicContact CH2-CD1 4.17Å; W185-L197 HydrophobicContact CZ2-CB 4.31Å; W185-L197 HydrophobicContact CZ2-CD1 3.76Å; W185-L197 HydrophobicContact CZ2-CG 4.48Å; W185-L197 HydrophobicContact CZ3-CD1 4.35Å; W185-D235 PolarHBondContact N-OD1 3.12Å
186	G	80.5	Confident	80.2	Confident	8 Å²	8	48.1 Å²	48.1	8%	0.082	29%	0.286	C	S	.	.			trans	-60.6	172.2	178.8	0	0	0	0	0	113	N233 D235	G186-N233 CarbonylContact C-O 3.52Å; G186-N233 WeakPolarHBondContact CA-O 3.24Å; G186-D235 VanDerWaalsContact CA-OD1 3.24Å; G186-D235 WeakPolarHBondContact CA-OD1 3.3Å; G186-D235 PolarHBondContact N-OD1 3.45Å
187	A	71.6	Confident	80.2	Confident	48 Å²	48	44.9 Å²	44.9	40%	0.397	27%	0.265	S	S	.	.			trans	-59.4	139	-178.5	0	0	0	0	0	110.8	C232 N233	A187-C232 WeakPolarHBondContact O-CB 3.16Å; A187-N233 HydrophobicContact CB-CB 4.43Å; A187-N233 PolarHBondContact N-O 2.78Å
188	T	65.1	Low	80.1	Confident	42 Å²	42	43.1 Å²	43.1	26%	0.258	24%	0.24	S	C	.	.			trans	-124.4	153	177.7	51.4	0	0	0	0	109.2	R42 S190	R42-T188 WeakPolarHBondContact O-CG2 3.35Å; T188-S190 PolarHBondContact O-N 3.23Å; T188-S190 VanDerWaalsContact O-N 3.09Å; T188-S190 PolarHBondContact OG1-O 2.81Å
189	D	58.3	Low	80	Confident	92 Å²	92	41 Å²	41	49%	0.492	23%	0.226	S	C	.	.	S	Bend	trans	-64.6	-14.1	176.2	-48.3	-30.8	0	0	0	113.3	R42	R42-D189 WeakPolarHBondContact CD-OD2 3.13Å; R42-D189 IonicContact CZ-OD2 3.49Å; R42-D189 IonicContact NE-OD2 3.63Å; R42-D189 VanDerWaalsContact NH1-CB 3.29Å; R42-D189 IonicContact NH1-OD2 2.73Å; R42-D189 PolarHBondContact NH1-OD2 2.89Å
190	S	57.2	Low	79.8	Confident	33 Å²	33	38.2 Å²	38.2	23%	0.231	20%	0.203	C	C	.	.			trans	-121.1	145.5	-177	59.7	0	0	0	0	111.5	T188 D192	T188-S190 PolarHBondContact O-N 3.23Å; T188-S190 VanDerWaalsContact O-N 3.09Å; T188-S190 PolarHBondContact OG1-O 2.81Å; S190-D192 VanDerWaalsContact C-N 3.31Å
191	W	57.2	Low	79.6	Confident	209 Å²	209	40.3 Å²	40.3	79%	0.792	22%	0.217	S	C	*	.			trans	-81.4	-9.2	173.2	-60.8	95.5	0	0	0	113.2	S193 L194	W191-S193 PolarHBondContact O-N 3.43Å; W191-L194 HydrophobicContact CE3-CD2 3.76Å; W191-L194 HydrophobicContact CZ3-CD2 4.4Å; W191-L194 WeakPolarHBondContact O-CG 3.43Å; W191-L194 PolarHBondContact O-N 2.79Å
192	D	52.7	Low	79.5	Confident	154 Å²	154	39.6 Å²	39.6	82%	0.824	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-0.5	-158.2	-63.2	-15.9	0	0	0	116.9	S190	S190-D192 VanDerWaalsContact C-N 3.31Å
193	S	58.2	Low	79.5	Confident	21 Å²	21	41.7 Å²	41.7	15%	0.147	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-141	48.1	174.2	74.5	0	0	0	0	112.2	W191 G195 A196 R198	W191-S193 PolarHBondContact O-N 3.43Å; S193-G195 PolarHBondContact O-N 3.04Å; S193-A196 PolarHBondContact O-N 2.81Å; S193-R198 PolarHBondContact OG-NH1 2.93Å
194	L	71.5	Confident	79.5	Confident	110 Å²	110	42 Å²	42	58%	0.576	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-40.4	101.8	-178.8	-75	177.6	0	0	0	111.8	L118 W191	L118-L194 HydrophobicContact CD1-CB 4.02Å; W191-L194 HydrophobicContact CE3-CD2 3.76Å; W191-L194 HydrophobicContact CZ3-CD2 4.4Å; W191-L194 WeakPolarHBondContact O-CG 3.43Å; W191-L194 PolarHBondContact O-N 2.79Å
195	G	87.5	Confident	79.3	Confident	8 Å²	8	43.3 Å²	43.3	8%	0.082	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.3	-13.1	173.8	0	0	0	0	0	117.9	N116 R117 W185 S193	N116-G195 CarbonylContact C-O 3.52Å; N116-G195 VanDerWaalsContact CA-O 3.3Å; N116-G195 WeakPolarHBondContact CA-O 3.39Å; N116-G195 WeakPolarHBondContact OD1-CA 3.38Å; N116-G195 PolarHBondContact OD1-O 3.19Å; R117-G195 WeakPolarHBondContact CG-O 3.34Å; R117-G195 PolarHBondContact N-O 2.91Å; W185-G195 PolarHBondContact NE1-O 3.21Å; S193-G195 PolarHBondContact O-N 3.04Å
196	A	91.8	Very high	79.1	Confident	10 Å²	10	45 Å²	45	8%	0.083	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-69.4	143.2	179.3	0	0	0	0	0	111.8	Q48 H115 S193 R198	Q48-A196 HydrophobicContact CG-CB 4.01Å; H115-A196 CarbonylContact O-C 2.87Å; S193-A196 PolarHBondContact O-N 2.81Å; A196-R198 WeakPolarHBondContact O-CG 3.38Å
197	L	92.7	Very high	79.2	Confident	4 Å²	4	46.7 Å²	46.7	2%	0.021	26%	0.258	C	S	.	.			trans	-63.9	138.2	174.2	-175.2	68.9	0	0	0	109.6	A49 F54 Q57 H115 I183 W185	A49-L197 HydrophobicContact CB-CB 4.36Å; A49-L197 HydrophobicContact CB-CD2 4.24Å; A49-L197 HydrophobicContact CB-CG 4.16Å; A49-L197 WeakPolarHBondContact CB-O 3.41Å; A49-L197 PolarHBondContact N-O 3.49Å; F54-L197 HydrophobicContact CB-CD2 4.48Å; F54-L197 HydrophobicContact CD2-CD2 4.17Å; Q57-L197 HydrophobicContact CB-CD2 4.38Å; Q57-L197 HydrophobicContact CG-CD1 3.86Å; Q57-L197 HydrophobicContact CG-CD2 4.21Å; H115-L197 WeakPolarHBondContact O-CB 3.14Å; H115-L197 PolarHBondContact O-N 2.8Å; I183-L197 HydrophobicContact CB-CD1 4.49Å; W185-L197 HydrophobicContact CD2-CD1 3.82Å; W185-L197 HydrophobicContact CE3-CD1 4.2Å; W185-L197 HydrophobicContact CG-CD1 4.33Å; W185-L197 HydrophobicContact CH2-CD1 4.17Å; W185-L197 HydrophobicContact CZ2-CB 4.31Å; W185-L197 HydrophobicContact CZ2-CD1 3.76Å; W185-L197 HydrophobicContact CZ2-CG 4.48Å; W185-L197 HydrophobicContact CZ3-CD1 4.35Å
198	R	91.2	Very high	79.6	Confident	22 Å²	22	51.5 Å²	51.5	8%	0.083	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	162	-179.7	-54.1	-171	66.7	95.1	6	110.5	G41 R42 I43 G46 V47 I183 G184 S193 A196	G41-R198 PolarHBondContact O-NH2 3.5Å; R42-R198 VanDerWaalsContact C-NE 3.29Å; R42-R198 PolarHBondContact O-NE 3.1Å; R42-R198 PolarHBondContact O-NH2 3.48Å; I43-R198 HydrophobicContact CD1-CB 3.82Å; I43-R198 WeakPolarHBondContact CD1-O 3.01Å; I43-R198 HydrophobicContact CG1-CB 3.31Å; I43-R198 HydrophobicContact CG1-CG 4.43Å; G46-R198 PolarHBondContact O-NE 2.78Å; G46-R198 PolarHBondContact O-NH2 2.58Å; V47-R198 CarbonylContact O-C 2.74Å; V47-R198 VanDerWaalsContact O-CA 3.29Å; V47-R198 WeakPolarHBondContact O-CA 3.37Å; I183-R198 CarbonylContact C-O 3.5Å; I183-R198 WeakPolarHBondContact CA-O 3.34Å; G184-R198 PolarHBondContact N-O 2.72Å; G184-R198 PolarHBondContact O-N 2.04Å; S193-R198 PolarHBondContact OG-NH1 2.93Å; A196-R198 WeakPolarHBondContact O-CG 3.38Å
199	M	90.5	Very high	80.3	Confident	3 Å²	3	51.6 Å²	51.6	2%	0.015	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	141.1	-179.2	64.5	180	-73.7	0	0	110.9	F34 F39 G46 V47 A49 F54 L181 T182 I183	F34-M199 HydrophobicContact CD1-CE 4.36Å; F34-M199 HydrophobicContact CE1-CE 4.12Å; F34-M199 HydrophobicContact CE1-SD 3.96Å; F34-M199 HydrophobicContact CZ-CE 4.49Å; F34-M199 HydrophobicContact CZ-SD 4.38Å; F39-M199 HydrophobicContact CE2-CE 4.35Å; F39-M199 HydrophobicContact CZ-CE 4.43Å; G46-M199 CarbonylContact C-O 3.52Å; G46-M199 WeakPolarHBondContact CA-O 3.29Å; V47-M199 HydrophobicContact CG2-CG 3.76Å; V47-M199 HydrophobicContact CG2-SD 4.35Å; V47-M199 PolarHBondContact N-O 2.96Å; V47-M199 PolarHBondContact O-N 3.34Å; A49-M199 HydrophobicContact CB-CB 4.41Å; A49-M199 HydrophobicContact CB-CG 4.32Å; A49-M199 HydrophobicContact CB-SD 4.37Å; F54-M199 HydrophobicContact CE2-CB 4.23Å; F54-M199 HydrophobicContact CE2-SD 3.81Å; F54-M199 HydrophobicContact CZ-CB 4.41Å; F54-M199 HydrophobicContact CZ-CE 3.91Å; F54-M199 HydrophobicContact CZ-SD 3.79Å; L181-M199 HydrophobicContact CD1-CE 3.85Å; L181-M199 HydrophobicContact CD2-CE 3.84Å; L181-M199 HydrophobicContact CG-CE 4.43Å; T182-M199 CarbonylContact O-C 3.05Å; T182-M199 VanDerWaalsContact O-CA 3.3Å; T182-M199 WeakPolarHBondContact O-CA 3.48Å; I183-M199 HydrophobicContact CG2-CB 3.68Å
200	V	88.8	Confident	81.3	Confident	4 Å²	4	48 Å²	48	2%	0.024	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	142.5	172.3	63.5	0	0	0	0	110	I43 L181 T182 L202	I43-V200 HydrophobicContact CB-CB 4.18Å; I43-V200 HydrophobicContact CB-CG1 4.08Å; I43-V200 HydrophobicContact CG2-CG1 3.94Å; L181-V200 WeakPolarHBondContact CA-O 3.47Å; T182-V200 HydrophobicContact CG2-CG1 3.31Å; T182-V200 PolarHBondContact N-O 3.49Å; T182-V200 PolarHBondContact O-N 2.69Å; V200-L202 HydrophobicContact CG1-CD1 4.5Å; V200-L202 HydrophobicContact CG1-CD2 3.97Å; V200-L202 HydrophobicContact CG1-CG 4.09Å; V200-L202 HydrophobicContact CG2-CD2 4.1Å
201	S	91.2	Very high	81.7	Confident	45 Å²	45	53.8 Å²	53.8	32%	0.315	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	123.8	171.3	-176.5	0	0	0	0	109.3	C180	C180-S201 CarbonylContact O-C 3.59Å; C180-S201 WeakPolarHBondContact O-CA 3.23Å
202	L	92.4	Very high	82.4	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	141.7	175.8	-55.7	-179.9	0	0	0	109.4	C180 T182 V200 A223 D225 G229 L240 F266	C180-L202 PolarHBondContact N-O 2.89Å; C180-L202 PolarHBondContact O-N 3.07Å; C180-L202 VanDerWaalsContact O-O 3.07Å; T182-L202 HydrophobicContact CG2-CD1 3.57Å; T182-L202 HydrophobicContact CG2-CG 4.11Å; V200-L202 HydrophobicContact CG1-CD1 4.5Å; V200-L202 HydrophobicContact CG1-CD2 3.97Å; V200-L202 HydrophobicContact CG1-CG 4.09Å; V200-L202 HydrophobicContact CG2-CD2 4.1Å; L202-A223 HydrophobicContact CB-CB 3.62Å; L202-A223 HydrophobicContact CD1-CB 4.15Å; L202-D225 HydrophobicContact CD2-CB 3.89Å; L202-G229 WeakPolarHBondContact CD2-O 3.3Å; L202-L240 HydrophobicContact CB-CD1 4.39Å; L202-L240 HydrophobicContact CD1-CD1 4.23Å; L202-F266 HydrophobicContact CD1-CE2 3.99Å; L202-F266 HydrophobicContact CD1-CZ 3.71Å
203	T	93.4	Very high	82.8	Confident	44 Å²	44	42.3 Å²	42.3	27%	0.27	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	127.8	175.3	-55.4	0	0	0	0	109.1	T178 T205 A223 H224	T178-T203 WeakPolarHBondContact O-CA 3.43Å; T203-T205 PolarHBondContact O-N 2.85Å; T203-A223 CarbonylContact O-C 3.6Å; T203-A223 WeakPolarHBondContact O-CA 3.21Å; T203-H224 PolarHBondContact N-O 2.81Å; T203-H224 PolarHBondContact O-N 2.95Å
204	I	93.5	Very high	82.7	Confident	6 Å²	6	46.3 Å²	46.3	3%	0.031	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	132.3	172.1	-60.6	-55.2	0	0	0	108.9	V174 P176 G177 T178 I221 A223 L240	V174-I204 HydrophobicContact CB-CG1 4.39Å; V174-I204 HydrophobicContact CG1-CB 4.42Å; V174-I204 HydrophobicContact CG1-CG1 3.59Å; P176-I204 CarbonylContact C-O 3.57Å; P176-I204 WeakPolarHBondContact CA-O 3.41Å; G177-I204 PolarHBondContact N-O 3.02Å; T178-I204 PolarHBondContact O-N 3.06Å; I204-I221 HydrophobicContact CD1-CD1 4.39Å; I204-A223 HydrophobicContact CD1-CB 4.01Å; I204-L240 HydrophobicContact CD1-CD2 3.52Å
205	T	89.7	Confident	82.2	Confident	29 Å²	29	48.3 Å²	48.3	18%	0.178	28%	0.279	C	S	.	.			trans	-112.6	171.2	179.9	-162.9	0	0	0	0	111.7	T203 A209 C222 V263	T203-T205 PolarHBondContact O-N 2.85Å; T205-A209 HydrophobicContact CG2-CB 4.08Å; T205-A209 WeakPolarHBondContact OG1-CB 3.12Å; T205-C222 HydrophobicContact CG2-CB 3.57Å; T205-C222 PolarHBondContact N-O 2.95Å; T205-V263 HydrophobicContact CG2-CG1 4.39Å
206	T	86	Confident	81.6	Confident	52 Å²	52	50.7 Å²	50.7	32%	0.319	29%	0.285	S	S	.	.			trans	-77.2	154.4	176.9	75.2	0	0	0	0	110.7	P176 E208 A209 C210	P176-T206 HydrophobicContact CB-CG2 3.78Å; P176-T206 HydrophobicContact CG-CG2 3.88Å; T206-E208 WeakPolarHBondContact CB-OE2 3.49Å; T206-E208 PolarHBondContact O-N 2.8Å; T206-E208 VanDerWaalsContact O-N 3.17Å; T206-E208 PolarHBondContact OG1-OE2 3.34Å; T206-A209 WeakPolarHBondContact O-CB 3.41Å; T206-A209 PolarHBondContact O-N 2.91Å; T206-A209 PolarHBondContact OG1-N 2.71Å; T206-C210 PolarHBondContact O-N 3.01Å
207	P	82	Confident	80.7	Confident	45 Å²	45	55.3 Å²	55.3	29%	0.292	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-32	175.6	-27.4	36.7	0	0	0	113.7	A209 C210 H217	P207-A209 VanDerWaalsContact C-N 3.33Å; P207-C210 WeakPolarHBondContact O-CB 3.36Å; P207-C210 PolarHBondContact O-N 2.87Å; P207-H217 HydrophobicContact CB-CB 4.47Å
208	E	80.8	Confident	80.4	Confident	148 Å²	148	57.9 Å²	57.9	69%	0.692	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-29	178.6	-55	72.6	-154.1	0	0	112.5	T206 C210	T206-E208 WeakPolarHBondContact CB-OE2 3.49Å; T206-E208 PolarHBondContact O-N 2.8Å; T206-E208 VanDerWaalsContact O-N 3.17Å; T206-E208 PolarHBondContact OG1-OE2 3.34Å; E208-C210 VanDerWaalsContact C-N 3.33Å
209	A	79	Confident	80.3	Confident	44 Å²	44	58.8 Å²	58.8	36%	0.364	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-17.3	175.2	0	0	0	0	0	112.3	T205 T206 P207 N211	T205-A209 HydrophobicContact CG2-CB 4.08Å; T205-A209 WeakPolarHBondContact OG1-CB 3.12Å; T206-A209 WeakPolarHBondContact O-CB 3.41Å; T206-A209 PolarHBondContact O-N 2.91Å; T206-A209 PolarHBondContact OG1-N 2.71Å; P207-A209 VanDerWaalsContact C-N 3.33Å; A209-N211 PolarHBondContact O-N 2.82Å
210	C	79.2	Confident	80.4	Confident	17 Å²	17	59.3 Å²	59.3	12%	0.115	33%	0.329	C	S	.	.	S	Bend	trans	-64.2	103.4	157	-45.8	0	0	0	0	105.9	T206 P207 E208 W212 C222	T206-C210 PolarHBondContact O-N 3.01Å; P207-C210 WeakPolarHBondContact O-CB 3.36Å; P207-C210 PolarHBondContact O-N 2.87Å; E208-C210 VanDerWaalsContact C-N 3.33Å; C210-W212 HydrophobicContact CB-CD2 4.36Å; C210-W212 HydrophobicContact CB-CE3 4.01Å; C210-W212 PolarHBondContact O-N 3.33Å; C210-C222 HydrophobicContact CB-CB 4.12Å; C210-C222 WeakPolarHBondContact CB-SG 3.12Å; C210-C222 WeakPolarHBondContact SG-CB 3.43Å; C210-C222 CovalentContact SG-SG 2.02Å; C210-C222 PolarHBondContact SG-SG 3.01Å
211	N	67.4	Low	80.6	Confident	154 Å²	154	60.5 Å²	60.5	82%	0.824	34%	0.335	S	S	*	.			trans	-70.9	30.6	179.5	-167	32.1	0	0	0	112.6	A209	A209-N211 PolarHBondContact O-N 2.82Å
212	W	70.5	Confident	80.6	Confident	37 Å²	37	58.6 Å²	58.6	14%	0.14	32%	0.322	C	S	.	.	S	Bend	trans	-116.7	160.8	-175.8	-48.3	-33.4	0	0	0	107.2	C210 P214 C222 W256 V263 A265	C210-W212 HydrophobicContact CB-CD2 4.36Å; C210-W212 HydrophobicContact CB-CE3 4.01Å; C210-W212 PolarHBondContact O-N 3.33Å; W212-P214 WeakPolarHBondContact O-CD 3.48Å; W212-C222 HydrophobicContact CZ3-CB 4.39Å; W212-C222 WeakPolarHBondContact CZ3-SG 3.4Å; W212-W256 HydrophobicContact CB-CH2 3.83Å; W212-W256 HydrophobicContact CB-CZ2 4.12Å; W212-W256 AromaticContact CD1-CH2 3.49Å; W212-W256 VanDerWaalsContact CD1-CH2 3.49Å; W212-W256 AromaticContact CD2-CH2 3.04Å; W212-W256 HydrophobicContact CD2-CH2 3.04Å; W212-W256 AromaticContact CD2-CZ2 3.29Å; W212-W256 HydrophobicContact CD2-CZ2 3.29Å; W212-W256 AromaticContact CD2-CZ3 3.85Å; W212-W256 HydrophobicContact CD2-CZ3 3.85Å; W212-W256 AromaticContact CE2-CH2 3.31Å; W212-W256 AromaticContact CE2-CZ2 3.88Å; W212-W256 AromaticContact CE2-CZ3 3.58Å; W212-W256 AromaticContact CE3-CE2 3.95Å; W212-W256 AromaticContact CE3-CH2 3.52Å; W212-W256 HydrophobicContact CE3-CH2 3.52Å; W212-W256 AromaticContact CE3-CZ2 3.18Å; W212-W256 HydrophobicContact CE3-CZ2 3.18Å; W212-W256 HydrophobicContact CE3-CZ3 4.41Å; W212-W256 AromaticContact CG-CH2 3.19Å; W212-W256 HydrophobicContact CG-CH2 3.19Å; W212-W256 AromaticContact CG-CZ2 3.73Å; W212-W256 HydrophobicContact CG-CZ2 3.73Å; W212-W256 HydrophobicContact CG-CZ3 4.13Å; W212-W256 HydrophobicContact CH2-CH2 4.4Å; W212-W256 HydrophobicContact CH2-CZ2 4.3Å; W212-W256 HydrophobicContact CZ2-CE3 4.4Å; W212-W256 AromaticContact CZ2-CH2 3.99Å; W212-W256 HydrophobicContact CZ2-CH2 3.99Å; W212-W256 HydrophobicContact CZ2-CZ2 4.34Å; W212-W256 AromaticContact CZ2-CZ3 3.97Å; W212-W256 HydrophobicContact CZ2-CZ3 3.97Å; W212-W256 HydrophobicContact CZ3-CH2 4.19Å; W212-W256 AromaticContact CZ3-CZ2 3.75Å; W212-W256 HydrophobicContact CZ3-CZ2 3.75Å; W212-W256 AromaticContact NE1-CH2 3.55Å; W212-W256 AromaticContact NE1-CZ3 3.71Å; W212-V263 HydrophobicContact CH2-CG1 4.04Å; W212-V263 WeakPolarHBondContact CH2-O 3.35Å; W212-V263 HydrophobicContact CZ2-CB 4.33Å; W212-V263 HydrophobicContact CZ2-CG1 4.25Å; W212-V263 WeakPolarHBondContact CZ2-O 3.49Å; W212-A265 HydrophobicContact CE3-CB 4.13Å; W212-A265 HydrophobicContact CH2-CB 3.35Å; W212-A265 VanDerWaalsContact CH2-N 3.3Å; W212-A265 HydrophobicContact CZ2-CB 4.46Å; W212-A265 HydrophobicContact CZ3-CB 3.12Å
213	T	61	Low	80.6	Confident	85 Å²	85	58.6 Å²	58.6	52%	0.521	32%	0.322	S	S	.	.			trans	-52.1	127	-177.4	44.3	0	0	0	0	111	L215 R216	T213-L215 PolarHBondContact O-N 3.12Å; T213-R216 PolarHBondContact O-N 3.12Å
214	P	56.3	Low	80.4	Confident	106 Å²	106	58 Å²	58	69%	0.688	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-56.1	-14.2	-179.7	-28.3	34.3	0	0	0	114.9	W212 R216 H217	W212-P214 WeakPolarHBondContact O-CD 3.48Å; P214-R216 PolarHBondContact O-N 3.39Å; P214-H217 PolarHBondContact O-N 2.84Å
215	L	61.3	Low	79.9	Confident	152 Å²	152	59.1 Å²	59.1	80%	0.796	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-62.1	-7.7	-179.9	-63.1	174.4	0	0	0	114.9	T213	T213-L215 PolarHBondContact O-N 3.12Å
216	R	74.9	Confident	79	Confident	58 Å²	58	65.7 Å²	65.7	22%	0.219	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-89.3	-11.7	-178.4	-65	171.3	175.9	-108.2	6.6	113.9	T213 P214 Q219 E220	T213-R216 PolarHBondContact O-N 3.12Å; P214-R216 PolarHBondContact O-N 3.39Å; R216-Q219 PolarHBondContact O-N 2.89Å; R216-Q219 VanDerWaalsContact O-N 3.13Å; R216-E220 HydrophobicContact CB-CB 4.26Å; R216-E220 HydrophobicContact CB-CG 4.18Å; R216-E220 WeakPolarHBondContact CD-OE2 3.29Å; R216-E220 IonicContact CZ-OE1 2.85Å; R216-E220 IonicContact NH1-OE1 2.72Å; R216-E220 PolarHBondContact NH1-OE1 2.69Å; R216-E220 IonicContact NH1-OE2 2.81Å; R216-E220 PolarHBondContact O-N 3.08Å
217	H	72.4	Confident	78.2	Confident	107 Å²	107	68.3 Å²	68.3	50%	0.495	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	136.4	173.9	-172	-83	0	0	0	109.8	P207 P214	P207-H217 HydrophobicContact CB-CB 4.47Å; P214-H217 PolarHBondContact O-N 2.84Å
218	P	86.1	Confident	77.6	Confident	58 Å²	58	67.8 Å²	67.8	38%	0.377	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	cis	-96.1	6.7	15.4	38.1	-37.6	0	0	0	116.2	N268	P218-N268 WeakPolarHBondContact O-CB 3.19Å; P218-N268 PolarHBondContact O-ND2 2.85Å
219	Q	90.4	Very high	77.4	Confident	40 Å²	40	60.7 Å²	60.7	19%	0.187	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-24.2	-172.3	-65.8	153.8	-64.8	0	0	113.2	D144 N145 R216 N268 Y272	D144-Q219 PolarHBondContact OD1-NE2 2.98Å; N145-Q219 PolarHBondContact OD1-NE2 3.01Å; N145-Q219 VanDerWaalsContact OD1-NE2 3.08Å; R216-Q219 PolarHBondContact O-N 2.89Å; R216-Q219 VanDerWaalsContact O-N 3.13Å; Q219-N268 WeakPolarHBondContact O-CB 3.42Å; Q219-N268 PolarHBondContact O-N 3.04Å; Q219-Y272 HydrophobicContact CB-CE2 4.39Å; Q219-Y272 WeakPolarHBondContact CB-OH 3.47Å; Q219-Y272 WeakPolarHBondContact CG-OH 3.42Å
220	E	92.1	Very high	77.7	Confident	15 Å²	15	58.6 Å²	58.6	7%	0.07	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	150.4	178.6	-63.3	-176.9	-153.7	0	0	112	R216 W256 F266	R216-E220 HydrophobicContact CB-CB 4.26Å; R216-E220 HydrophobicContact CB-CG 4.18Å; R216-E220 WeakPolarHBondContact CD-OE2 3.29Å; R216-E220 IonicContact CZ-OE1 2.85Å; R216-E220 IonicContact NH1-OE1 2.72Å; R216-E220 PolarHBondContact NH1-OE1 2.69Å; R216-E220 IonicContact NH1-OE2 2.81Å; R216-E220 PolarHBondContact O-N 3.08Å; E220-W256 PolarHBondContact OE2-NE1 2.77Å; E220-F266 CarbonylContact C-O 3.17Å; E220-F266 VanDerWaalsContact CA-O 3.27Å; E220-F266 WeakPolarHBondContact CA-O 3.3Å
221	I	92.7	Very high	78.1	Confident	29 Å²	29	58.1 Å²	58.1	15%	0.149	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	152.9	164.6	60.6	-179.4	0	0	0	109	I204 L240 F251 F266 N268	I204-I221 HydrophobicContact CD1-CD1 4.39Å; I221-L240 HydrophobicContact CD1-CD2 3.98Å; I221-F251 HydrophobicContact CD1-CB 4.44Å; I221-F251 WeakPolarHBondContact CD1-O 3.42Å; I221-F266 HydrophobicContact CG1-CB 3.88Å; I221-F266 PolarHBondContact N-O 2.77Å; I221-F266 PolarHBondContact O-N 3.41Å; I221-F266 VanDerWaalsContact O-O 3.11Å; I221-N268 HydrophobicContact CG2-CB 3.92Å
222	C	91.8	Very high	79.1	Confident	4 Å²	4	51.3 Å²	51.3	3%	0.027	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	146.4	176.7	-49.5	0	0	0	0	110.6	T205 C210 W212 V263 S264	T205-C222 HydrophobicContact CG2-CB 3.57Å; T205-C222 PolarHBondContact N-O 2.95Å; C210-C222 HydrophobicContact CB-CB 4.12Å; C210-C222 WeakPolarHBondContact CB-SG 3.12Å; C210-C222 WeakPolarHBondContact SG-CB 3.43Å; C210-C222 CovalentContact SG-SG 2.02Å; C210-C222 PolarHBondContact SG-SG 3.01Å; W212-C222 HydrophobicContact CZ3-CB 4.39Å; W212-C222 WeakPolarHBondContact CZ3-SG 3.4Å; C222-V263 HydrophobicContact CB-CG1 3.73Å; C222-S264 WeakPolarHBondContact CA-O 3.49Å
223	A	92.5	Very high	79.8	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	150.6	173.8	0	0	0	0	0	110.3	L202 T203 I204 L240 S264 F266	L202-A223 HydrophobicContact CB-CB 3.62Å; L202-A223 HydrophobicContact CD1-CB 4.15Å; T203-A223 CarbonylContact O-C 3.6Å; T203-A223 WeakPolarHBondContact O-CA 3.21Å; I204-A223 HydrophobicContact CD1-CB 4.01Å; A223-L240 HydrophobicContact CB-CD1 4.34Å; A223-L240 HydrophobicContact CB-CD2 4.05Å; A223-S264 PolarHBondContact N-O 3.23Å; A223-S264 PolarHBondContact O-N 2.85Å; A223-F266 HydrophobicContact CB-CD2 4.35Å; A223-F266 HydrophobicContact CB-CE2 3.9Å
224	H	88.8	Confident	80.9	Confident	33 Å²	33	52.6 Å²	52.6	15%	0.153	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	148.1	-176.8	-177.3	53.2	0	0	0	111.5	T203 F226 E262 V263	T203-H224 PolarHBondContact N-O 2.81Å; T203-H224 PolarHBondContact O-N 2.95Å; H224-F226 AromaticContact CD2-CD1 3.67Å; H224-F226 AromaticContact CD2-CE1 3.96Å; H224-F226 WeakPolarHBondContact NE2-CA 2.99Å; H224-E262 VanDerWaalsContact ND1-C 3.33Å; H224-E262 PolarHBondContact ND1-O 2.69Å; H224-V263 HydrophobicContact CB-CB 4.5Å; H224-V263 HydrophobicContact CB-CG2 4.06Å; H224-V263 PolarHBondContact ND1-N 2.79Å
225	D	83.7	Confident	82.6	Confident	29 Å²	29	47.6 Å²	47.6	16%	0.155	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-105.2	112.8	159.8	174.3	15.5	0	0	0	109.3	L202 S227 G228 G229	L202-D225 HydrophobicContact CD2-CB 3.89Å; D225-S227 PolarHBondContact O-N 2.82Å; D225-S227 VanDerWaalsContact OD1-CB 3.26Å; D225-S227 WeakPolarHBondContact OD1-CB 3.47Å; D225-S227 PolarHBondContact OD1-N 2.58Å; D225-S227 PolarHBondContact OD1-OG 3.32Å; D225-G228 PolarHBondContact O-N 3.13Å; D225-G229 PolarHBondContact N-O 2.83Å; D225-G229 VanDerWaalsContact N-O 3.12Å; D225-G229 PolarHBondContact O-N 3.46Å; D225-G229 VanDerWaalsContact O-N 3.1Å
226	F	70.6	Confident	84.3	Confident	167 Å²	167	41.7 Å²	41.7	73%	0.732	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-13.1	177.5	-65.6	-75.9	0	0	0	113.7	H224 G228	H224-F226 AromaticContact CD2-CD1 3.67Å; H224-F226 AromaticContact CD2-CE1 3.96Å; H224-F226 WeakPolarHBondContact NE2-CA 2.99Å; F226-G228 VanDerWaalsContact C-N 3.25Å
227	S	69.9	Low	85.3	Confident	107 Å²	107	39 Å²	39	75%	0.748	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	5.7	175.3	-41.8	0	0	0	0	113.4	D225	D225-S227 PolarHBondContact O-N 2.82Å; D225-S227 VanDerWaalsContact OD1-CB 3.26Å; D225-S227 WeakPolarHBondContact OD1-CB 3.47Å; D225-S227 PolarHBondContact OD1-N 2.58Å; D225-S227 PolarHBondContact OD1-OG 3.32Å
228	G	69.3	Low	86.5	Confident	33 Å²	33	33.9 Å²	33.9	34%	0.34	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.4	60.1	-177.3	0	0	0	0	0	111.1	V44 D225 F226 G261	V44-G228 CarbonylContact C-O 3.39Å; V44-G228 VanDerWaalsContact C-O 3.23Å; V44-G228 WeakPolarHBondContact CG1-O 3.27Å; V44-G228 CarbonylContact O-C 3.46Å; D225-G228 PolarHBondContact O-N 3.13Å; F226-G228 VanDerWaalsContact C-N 3.25Å; G228-G261 CarbonylContact C-O 3.56Å
229	G	76.2	Confident	87.1	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-147.8	156.6	169.1	0	0	0	0	0	121.8	V44 L202 D225 G261	V44-G229 WeakPolarHBondContact O-CA 3.41Å; L202-G229 WeakPolarHBondContact CD2-O 3.3Å; D225-G229 PolarHBondContact N-O 2.83Å; D225-G229 VanDerWaalsContact N-O 3.12Å; D225-G229 PolarHBondContact O-N 3.46Å; D225-G229 VanDerWaalsContact O-N 3.1Å; G229-G261 PolarHBondContact N-O 2.86Å
230	G	84.2	Confident	87.4	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.172	C	C	.	.			trans	167	174.5	-164.3	0	0	0	0	0	113.3	I43 V44 S264	I43-G230 WeakPolarHBondContact CG2-O 3.49Å; V44-G230 PolarHBondContact O-N 3.42Å; G230-S264 VanDerWaalsContact CA-OG 3.23Å; G230-S264 WeakPolarHBondContact CA-OG 3.48Å
231	I	88.7	Confident	87.6	Confident	6 Å²	6	28.5 Å²	28.5	3%	0.031	17%	0.169	C	C	.	.			trans	-66.4	157.9	179.1	67.8	-177.3	0	0	0	111.2	T182 D235 A254 V257 S264 F266	T182-I231 HydrophobicContact CG2-CG2 4.07Å; I231-D235 HydrophobicContact CB-CB 4.02Å; I231-D235 HydrophobicContact CG2-CB 4.38Å; I231-A254 HydrophobicContact CD1-CB 3.86Å; I231-A254 HydrophobicContact CG2-CB 4.04Å; I231-V257 HydrophobicContact CD1-CG1 3.94Å; I231-V257 HydrophobicContact CG1-CG1 3.36Å; I231-S264 PolarHBondContact N-OG 3.36Å; I231-F266 HydrophobicContact CG2-CE1 3.89Å; I231-F266 HydrophobicContact CG2-CZ 3.65Å
232	C	88.2	Confident	87.8	Confident	12 Å²	12	27.2 Å²	27.2	8%	0.081	16%	0.162	C	C	.	.			trans	-141	-177.5	173.5	-164.8	0	0	0	0	111.6	A187 G234 D235 C260	A187-C232 WeakPolarHBondContact O-CB 3.16Å; C232-G234 PolarHBondContact O-N 3.2Å; C232-D235 PolarHBondContact N-OD2 2.93Å; C232-D235 WeakPolarHBondContact O-CB 3.46Å; C232-D235 PolarHBondContact O-N 2.93Å; C232-C260 WeakPolarHBondContact CA-SG 3.4Å; C232-C260 HydrophobicContact CB-CB 3.59Å; C232-C260 WeakPolarHBondContact CB-SG 3.28Å; C232-C260 WeakPolarHBondContact SG-CB 3.22Å; C232-C260 CovalentContact SG-SG 2.03Å; C232-C260 PolarHBondContact SG-SG 2.67Å
233	N	84.5	Confident	87.9	Confident	125 Å²	125	32 Å²	32	67%	0.668	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.3	123.9	177.3	-71.6	-41.6	0	0	0	111.3	G186 A187	G186-N233 CarbonylContact C-O 3.52Å; G186-N233 WeakPolarHBondContact CA-O 3.24Å; A187-N233 HydrophobicContact CB-CB 4.43Å; A187-N233 PolarHBondContact N-O 2.78Å
234	G	85.5	Confident	87.7	Confident	24 Å²	24	35.3 Å²	35.3	25%	0.247	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.2	-11.7	-177.4	0	0	0	0	0	115	C232	C232-G234 PolarHBondContact O-N 3.2Å
235	D	91.7	Very high	87.7	Confident	1 Å²	1	38 Å²	38	1%	0.005	24%	0.236	C	C	.	.			trans	-84.9	-10.4	171.1	-65	-42.4	0	0	0	112.9	G184 W185 G186 I231 C232 G237 S238 A254	G184-D235 WeakPolarHBondContact CA-OD1 3.36Å; W185-D235 PolarHBondContact N-OD1 3.12Å; G186-D235 VanDerWaalsContact CA-OD1 3.24Å; G186-D235 WeakPolarHBondContact CA-OD1 3.3Å; G186-D235 PolarHBondContact N-OD1 3.45Å; I231-D235 HydrophobicContact CB-CB 4.02Å; I231-D235 HydrophobicContact CG2-CB 4.38Å; C232-D235 PolarHBondContact N-OD2 2.93Å; C232-D235 WeakPolarHBondContact O-CB 3.46Å; C232-D235 PolarHBondContact O-N 2.93Å; D235-G237 PolarHBondContact O-N 2.86Å; D235-S238 WeakPolarHBondContact O-CB 3.34Å; D235-S238 PolarHBondContact O-N 3.31Å; D235-S238 PolarHBondContact O-OG 2.8Å; D235-A254 WeakPolarHBondContact O-CB 3.09Å
236	S	95.4	Very high	87.9	Confident	28 Å²	28	39 Å²	39	20%	0.196	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-41.7	129.9	174.9	-69.6	0	0	0	0	112.7	C70 G71 H92 S238	C70-S236 CarbonylContact C-O 3.6Å; C70-S236 WeakPolarHBondContact CA-O 3.46Å; C70-S236 VanDerWaalsContact CB-O 3.25Å; C70-S236 WeakPolarHBondContact CB-O 3.39Å; G71-S236 PolarHBondContact N-O 3.22Å; H92-S236 PolarHBondContact CE1-OG 3.36Å; H92-S236 WeakPolarHBondContact NE2-CB 3.5Å; H92-S236 PolarHBondContact NE2-OG 3.29Å; S236-S238 VanDerWaalsContact C-N 3.27Å; S236-S238 PolarHBondContact O-N 3.2Å
237	G	97.9	Very high	88.9	Confident	0 Å²	0	35 Å²	35	0%	0	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.1	-10.4	-177.1	0	0	0	0	0	115.4	G71 G72 T89 D235 A254	G71-G237 CarbonylContact C-O 3.56Å; G71-G237 CarbonylContact O-C 3.57Å; G71-G237 WeakPolarHBondContact O-CA 3.42Å; G72-G237 WeakPolarHBondContact CA-O 3.22Å; T89-G237 WeakPolarHBondContact OG1-CA 3.33Å; D235-G237 PolarHBondContact O-N 2.86Å; G237-A254 PolarHBondContact N-O 3.37Å
238	S	97.3	Very high	90.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	20%	0.201	C	C	.	.			trans	-69.1	152.7	178.1	-58.6	0	0	0	0	112.6	G71 I183 D235 S236 A254	G71-S238 WeakPolarHBondContact CA-OG 3.4Å; I183-S238 WeakPolarHBondContact O-CB 3.43Å; I183-S238 PolarHBondContact O-OG 3.47Å; D235-S238 WeakPolarHBondContact O-CB 3.34Å; D235-S238 PolarHBondContact O-N 3.31Å; D235-S238 PolarHBondContact O-OG 2.8Å; S236-S238 VanDerWaalsContact C-N 3.27Å; S236-S238 PolarHBondContact O-N 3.2Å; S238-A254 WeakPolarHBondContact O-CB 3.32Å; S238-A254 PolarHBondContact O-N 2.96Å
239	P	97.8	Very high	91.4	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	145	-176.4	27.7	-31.7	0	0	0	113.8	Q57 S73 T182 I183 L241 V250 G252	Q57-P239 VanDerWaalsContact OE1-CD 3.25Å; S73-P239 VanDerWaalsContact OG-CB 3.22Å; S73-P239 WeakPolarHBondContact OG-CB 3.27Å; S73-P239 VanDerWaalsContact OG-CG 3.3Å; S73-P239 WeakPolarHBondContact OG-CG 3.41Å; T182-P239 WeakPolarHBondContact CA-O 3.42Å; T182-P239 PolarHBondContact OG1-O 3.39Å; T182-P239 VanDerWaalsContact OG1-O 3.1Å; I183-P239 HydrophobicContact CD1-CG 4.24Å; I183-P239 HydrophobicContact CG1-CG 3.97Å; P239-L241 HydrophobicContact CB-CD2 3.64Å; P239-L241 HydrophobicContact CB-CG 3.91Å; P239-L241 HydrophobicContact CG-CD1 4.32Å; P239-L241 HydrophobicContact CG-CD2 3.96Å; P239-L241 HydrophobicContact CG-CG 4.04Å; P239-V250 HydrophobicContact CB-CB 4.35Å; P239-V250 HydrophobicContact CB-CG2 3.65Å; P239-G252 CarbonylContact C-O 3.53Å; P239-G252 WeakPolarHBondContact CA-O 3.41Å
240	L	97	Very high	92.4	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	110.9	152.5	-172.1	69.5	0	0	0	108.9	C180 L202 I204 I221 A223 F251 G252 F266	C180-L240 HydrophobicContact CB-CD1 3.89Å; C180-L240 HydrophobicContact CB-CG 3.99Å; L202-L240 HydrophobicContact CB-CD1 4.39Å; L202-L240 HydrophobicContact CD1-CD1 4.23Å; I204-L240 HydrophobicContact CD1-CD2 3.52Å; I221-L240 HydrophobicContact CD1-CD2 3.98Å; A223-L240 HydrophobicContact CB-CD1 4.34Å; A223-L240 HydrophobicContact CB-CD2 4.05Å; L240-F251 PolarHBondContact O-N 2.97Å; L240-G252 PolarHBondContact N-O 2.79Å; L240-G252 PolarHBondContact O-N 3.14Å; L240-F266 HydrophobicContact CB-CD1 3.64Å; L240-F266 HydrophobicContact CB-CE1 3.76Å; L240-F266 HydrophobicContact CB-CG 4.13Å; L240-F266 HydrophobicContact CB-CZ 4.32Å; L240-F266 HydrophobicContact CD1-CE1 4.2Å; L240-F266 HydrophobicContact CD1-CE2 4.23Å; L240-F266 HydrophobicContact CD1-CZ 3.93Å; L240-F266 HydrophobicContact CD2-CD1 4.32Å; L240-F266 HydrophobicContact CD2-CD2 3.89Å; L240-F266 HydrophobicContact CD2-CE2 4.12Å; L240-F266 HydrophobicContact CD2-CG 4Å; L240-F266 HydrophobicContact CD2-CZ 4.46Å; L240-F266 HydrophobicContact CG-CD1 4.46Å; L240-F266 HydrophobicContact CG-CE1 4.4Å; L240-F266 HydrophobicContact CG-CZ 4.48Å
241	L	97.1	Very high	93.1	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	114.6	-172.9	-57.1	168.9	0	0	0	109.7	F54 W56 V165 C180 L181 I183 P239 Y248 F249	F54-L241 HydrophobicContact CD1-CD1 3.98Å; F54-L241 HydrophobicContact CE1-CD1 4.23Å; W56-L241 HydrophobicContact CZ2-CD1 4.2Å; V165-L241 HydrophobicContact CG2-CD2 3.69Å; C180-L241 CarbonylContact C-O 3.59Å; C180-L241 VanDerWaalsContact CA-O 3.31Å; C180-L241 WeakPolarHBondContact CA-O 2.94Å; C180-L241 VanDerWaalsContact CB-O 3.29Å; C180-L241 WeakPolarHBondContact CB-O 2.88Å; L181-L241 HydrophobicContact CB-CB 4.45Å; L181-L241 PolarHBondContact N-O 2.96Å; L181-L241 WeakPolarHBondContact O-CA 3.25Å; L181-L241 WeakPolarHBondContact O-CB 3.12Å; L181-L241 PolarHBondContact O-N 2.94Å; I183-L241 HydrophobicContact CD1-CD1 3.99Å; I183-L241 HydrophobicContact CG1-CD1 4.32Å; I183-L241 HydrophobicContact CG2-CD1 4.49Å; P239-L241 HydrophobicContact CB-CD2 3.64Å; P239-L241 HydrophobicContact CB-CG 3.91Å; P239-L241 HydrophobicContact CG-CD1 4.32Å; P239-L241 HydrophobicContact CG-CD2 3.96Å; P239-L241 HydrophobicContact CG-CG 4.04Å; L241-Y248 HydrophobicContact CB-CD1 3.75Å; L241-Y248 HydrophobicContact CB-CE1 4.45Å; L241-Y248 HydrophobicContact CB-CG 4.49Å; L241-F249 WeakPolarHBondContact CA-O 3.12Å
242	C	95.5	Very high	93.5	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.007	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	136.8	171.5	-50.2	0	0	0	0	109.3	V174 C180 F249 F251	V174-C242 HydrophobicContact CG1-CB 4.5Å; V174-C242 HydrophobicContact CG2-CB 4.08Å; C180-C242 HydrophobicContact CB-CB 4.09Å; C180-C242 WeakPolarHBondContact CB-SG 3.34Å; C180-C242 WeakPolarHBondContact SG-CB 2.99Å; C180-C242 CovalentContact SG-SG 2.04Å; C180-C242 PolarHBondContact SG-SG 2.97Å; C242-F249 PolarHBondContact N-O 3.12Å; C242-F249 PolarHBondContact O-N 2.7Å; C242-F251 HydrophobicContact CB-CD2 3.62Å; C242-F251 HydrophobicContact CB-CE2 4.2Å; C242-F251 HydrophobicContact CB-CG 4.37Å
243	E	93.4	Very high	94	Very high	106 Å²	106	30.3 Å²	30.3	50%	0.495	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	131	179.9	-169.5	178.4	-178.2	0	0	110.8	G246 R247 Y248	E243-G246 VanDerWaalsContact OE1-CA 3.31Å; E243-G246 WeakPolarHBondContact OE1-CA 3.39Å; E243-R247 CarbonylContact C-O 3.56Å; E243-R247 WeakPolarHBondContact CA-O 3.47Å; E243-Y248 HydrophobicContact CB-CD1 4.27Å; E243-Y248 HydrophobicContact CB-CE1 4.12Å
244	Q	90.2	Very high	94.5	Very high	69 Å²	69	24.3 Å²	24.3	32%	0.322	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	122.4	172.2	-64.1	-171.8	-13.1	0	0	109.5	G246 R247 F249 F251	Q244-G246 VanDerWaalsContact C-N 3.31Å; Q244-G246 PolarHBondContact O-N 3.34Å; Q244-R247 PolarHBondContact N-O 2.79Å; Q244-R247 PolarHBondContact O-N 2.75Å; Q244-F249 HydrophobicContact CB-CD2 4.06Å; Q244-F249 HydrophobicContact CB-CE2 4Å; Q244-F251 HydrophobicContact CG-CE2 4.29Å
245	G	87.3	Confident	95	Very high	90 Å²	90	23.4 Å²	23.4	93%	0.928	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	36.1	177	0	0	0	0	0	114.5
246	G	87.7	Confident	94.9	Very high	48 Å²	48	25.6 Å²	25.6	50%	0.495	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	17.3	-179.8	0	0	0	0	0	114.6	E243 Q244	E243-G246 VanDerWaalsContact OE1-CA 3.31Å; E243-G246 WeakPolarHBondContact OE1-CA 3.39Å; Q244-G246 VanDerWaalsContact C-N 3.31Å; Q244-G246 PolarHBondContact O-N 3.34Å
247	R	91.7	Very high	94.5	Very high	85 Å²	85	26 Å²	26	32%	0.321	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	143.3	177.3	-59.6	-174.4	-171.2	-164.6	1.5	110.7	G28 E243 Q244 F249	G28-R247 CarbonylContact O-C 3.51Å; G28-R247 VanDerWaalsContact O-CA 3.29Å; G28-R247 WeakPolarHBondContact O-CA 3.26Å; E243-R247 CarbonylContact C-O 3.56Å; E243-R247 WeakPolarHBondContact CA-O 3.47Å; Q244-R247 PolarHBondContact N-O 2.79Å; Q244-R247 PolarHBondContact O-N 2.75Å; R247-F249 HydrophobicContact CB-CE2 4.04Å; R247-F249 WeakPolarHBondContact O-CD2 2.98Å
248	Y	95.6	Very high	93.9	Very high	18 Å²	18	30 Å²	30	7%	0.071	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	137.3	172.5	-72.8	-83.4	0	0	0	111.5	G28 T30 W56 V165 C166 L181 L241 E243	G28-Y248 PolarHBondContact O-N 2.04Å; T30-Y248 HydrophobicContact CG2-CD2 3.63Å; T30-Y248 HydrophobicContact CG2-CE2 3.49Å; T30-Y248 VanDerWaalsContact CG2-CE2 3.49Å; W56-Y248 HydrophobicContact CH2-CD2 4.06Å; W56-Y248 HydrophobicContact CH2-CG 4.34Å; W56-Y248 HydrophobicContact CZ2-CD2 4.21Å; W56-Y248 HydrophobicContact CZ2-CG 4.18Å; V165-Y248 WeakPolarHBondContact CG2-O 3.22Å; C166-Y248 WeakPolarHBondContact CB-O 3.24Å; C166-Y248 PolarHBondContact N-O 2.79Å; C166-Y248 PolarHBondContact SG-O 2.84Å; C166-Y248 VanDerWaalsContact SG-O 3.42Å; L181-Y248 HydrophobicContact CD1-CE1 3.89Å; L241-Y248 HydrophobicContact CB-CD1 3.75Å; L241-Y248 HydrophobicContact CB-CE1 4.45Å; L241-Y248 HydrophobicContact CB-CG 4.49Å; E243-Y248 HydrophobicContact CB-CD1 4.27Å; E243-Y248 HydrophobicContact CB-CE1 4.12Å
249	F	97	Very high	93.3	Very high	37 Å²	37	34.1 Å²	34.1	16%	0.162	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	141.1	173	-71.1	-107.4	0	0	0	109.7	C166 L241 C242 Q244 R247 F251	C166-F249 HydrophobicContact CB-CB 4.25Å; C166-F249 HydrophobicContact CB-CD1 3.23Å; C166-F249 HydrophobicContact CB-CD2 3.96Å; C166-F249 HydrophobicContact CB-CE1 3.39Å; C166-F249 HydrophobicContact CB-CE2 4.09Å; C166-F249 HydrophobicContact CB-CG 3.53Å; C166-F249 HydrophobicContact CB-CZ 3.82Å; C166-F249 CarbonylContact O-C 3.52Å; C166-F249 VanDerWaalsContact O-CA 3.27Å; C166-F249 WeakPolarHBondContact O-CA 3.49Å; L241-F249 WeakPolarHBondContact CA-O 3.12Å; C242-F249 PolarHBondContact N-O 3.12Å; C242-F249 PolarHBondContact O-N 2.7Å; Q244-F249 HydrophobicContact CB-CD2 4.06Å; Q244-F249 HydrophobicContact CB-CE2 4Å; R247-F249 HydrophobicContact CB-CE2 4.04Å; R247-F249 WeakPolarHBondContact O-CD2 2.98Å; F249-F251 HydrophobicContact CB-CD2 3.7Å; F249-F251 HydrophobicContact CB-CE2 3.51Å; F249-F251 HydrophobicContact CB-CZ 4.49Å; F249-F251 HydrophobicContact CG-CE2 4.2Å; F249-F251 PolarHBondContact O-N 2.91Å; F249-F251 VanDerWaalsContact O-N 3.17Å
250	V	97.8	Very high	92.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	92	172.2	60.5	0	0	0	0	109.3	I75 L88 V165 C166 V167 P168 P239 G252 V269	I75-V250 HydrophobicContact CG2-CG1 4.26Å; L88-V250 HydrophobicContact CD2-CG1 3.84Å; L88-V250 HydrophobicContact CD2-CG2 4.35Å; V165-V250 HydrophobicContact CG1-CB 3.94Å; V165-V250 HydrophobicContact CG1-CG1 3.85Å; V165-V250 HydrophobicContact CG2-CB 4.48Å; C166-V250 WeakPolarHBondContact O-CG1 3.43Å; C166-V250 PolarHBondContact O-N 3.43Å; V167-V250 HydrophobicContact CG2-CG1 4.41Å; P168-V250 WeakPolarHBondContact CD-O 3.12Å; P239-V250 HydrophobicContact CB-CB 4.35Å; P239-V250 HydrophobicContact CB-CG2 3.65Å; V250-G252 VanDerWaalsContact CG2-O 3.28Å; V250-G252 WeakPolarHBondContact CG2-O 3.44Å; V250-V269 HydrophobicContact CG1-CG1 4.46Å; V250-V269 HydrophobicContact CG2-CG2 4.31Å; V250-V269 WeakPolarHBondContact O-CB 2.92Å; V250-V269 WeakPolarHBondContact O-CG1 3.4Å; V250-V269 WeakPolarHBondContact O-CG2 3.44Å
251	F	97.4	Very high	91.7	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.009	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-24.5	178.1	-89.3	-81.5	0	0	0	113	P168 D172 V174 I221 L240 C242 Q244 F249 V269	P168-F251 HydrophobicContact CB-CD1 4.08Å; P168-F251 HydrophobicContact CB-CE1 3.61Å; P168-F251 HydrophobicContact CB-CE2 4.39Å; P168-F251 HydrophobicContact CB-CZ 3.79Å; P168-F251 HydrophobicContact CG-CD1 4.14Å; P168-F251 HydrophobicContact CG-CE1 4.19Å; D172-F251 HydrophobicContact CB-CE1 3.9Å; D172-F251 HydrophobicContact CB-CZ 4.05Å; V174-F251 HydrophobicContact CB-CD1 4.44Å; V174-F251 HydrophobicContact CG2-CB 4.14Å; V174-F251 HydrophobicContact CG2-CD1 3.31Å; V174-F251 HydrophobicContact CG2-CD2 3.54Å; V174-F251 HydrophobicContact CG2-CE1 3.43Å; V174-F251 VanDerWaalsContact CG2-CE1 3.43Å; V174-F251 HydrophobicContact CG2-CE2 3.62Å; V174-F251 HydrophobicContact CG2-CG 3.36Å; V174-F251 HydrophobicContact CG2-CZ 3.58Å; I221-F251 HydrophobicContact CD1-CB 4.44Å; I221-F251 WeakPolarHBondContact CD1-O 3.42Å; L240-F251 PolarHBondContact O-N 2.97Å; C242-F251 HydrophobicContact CB-CD2 3.62Å; C242-F251 HydrophobicContact CB-CE2 4.2Å; C242-F251 HydrophobicContact CB-CG 4.37Å; Q244-F251 HydrophobicContact CG-CE2 4.29Å; F249-F251 HydrophobicContact CB-CD2 3.7Å; F249-F251 HydrophobicContact CB-CE2 3.51Å; F249-F251 HydrophobicContact CB-CZ 4.49Å; F249-F251 HydrophobicContact CG-CE2 4.2Å; F249-F251 PolarHBondContact O-N 2.91Å; F249-F251 VanDerWaalsContact O-N 3.17Å; F251-V269 PolarHBondContact O-N 3.44Å
252	G	97.4	Very high	91	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	153.8	179.5	0	0	0	0	0	113.2	P239 L240 V250 V267	P239-G252 CarbonylContact C-O 3.53Å; P239-G252 WeakPolarHBondContact CA-O 3.41Å; L240-G252 PolarHBondContact N-O 2.79Å; L240-G252 PolarHBondContact O-N 3.14Å; V250-G252 VanDerWaalsContact CG2-O 3.28Å; V250-G252 WeakPolarHBondContact CG2-O 3.44Å; G252-V267 VanDerWaalsContact CA-O 3.22Å; G252-V267 WeakPolarHBondContact CA-O 3.1Å
253	I	98.1	Very high	90.7	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	121.8	166.6	-59.1	164.7	0	0	0	107.4	L88 A90 I147 S255 F266 V267 V269	L88-I253 HydrophobicContact CD1-CD1 4.03Å; L88-I253 HydrophobicContact CD2-CD1 3.89Å; L88-I253 HydrophobicContact CD2-CG1 4.23Å; L88-I253 HydrophobicContact CG-CD1 3.64Å; L88-I253 HydrophobicContact CG-CG1 4.25Å; A90-I253 HydrophobicContact CB-CG2 4.02Å; I147-I253 HydrophobicContact CB-CD1 4.39Å; I147-I253 HydrophobicContact CD1-CD1 3.81Å; I147-I253 HydrophobicContact CG1-CD1 3.6Å; I253-S255 PolarHBondContact O-N 2.99Å; I253-S255 VanDerWaalsContact O-N 3.12Å; I253-F266 CarbonylContact O-C 3.23Å; I253-F266 WeakPolarHBondContact O-CA 3.4Å; I253-V267 HydrophobicContact CB-CB 4.15Å; I253-V267 HydrophobicContact CB-CG2 4.42Å; I253-V267 HydrophobicContact CD1-CB 4.49Å; I253-V267 PolarHBondContact N-O 2.83Å; I253-V267 PolarHBondContact O-N 3Å; I253-V269 HydrophobicContact CD1-CG2 3.93Å; I253-V269 HydrophobicContact CG1-CG2 3.68Å
254	A	96.2	Very high	90.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	117.1	-178.6	0	0	0	0	0	110	I231 D235 G237 S238 F266	I231-A254 HydrophobicContact CD1-CB 3.86Å; I231-A254 HydrophobicContact CG2-CB 4.04Å; D235-A254 WeakPolarHBondContact O-CB 3.09Å; G237-A254 PolarHBondContact N-O 3.37Å; S238-A254 WeakPolarHBondContact O-CB 3.32Å; S238-A254 PolarHBondContact O-N 2.96Å; A254-F266 VanDerWaalsContact CA-CD1 3.5Å; A254-F266 HydrophobicContact CB-CD1 4.15Å; A254-F266 HydrophobicContact CB-CE1 3.93Å
255	S	94.6	Very high	90.7	Very high	5 Å²	5	34 Å²	34	4%	0.035	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	-62.5	-172.3	-179.7	0	0	0	0	110.8	H92 D146 I253 A265	H92-S255 PolarHBondContact CE1-O 2.83Å; D146-S255 WeakPolarHBondContact OD2-CB 3.44Å; D146-S255 PolarHBondContact OD2-OG 3.31Å; I253-S255 PolarHBondContact O-N 2.99Å; I253-S255 VanDerWaalsContact O-N 3.12Å; S255-A265 PolarHBondContact N-O 2.74Å
256	W	90.8	Very high	91.1	Very high	47 Å²	47	29.8 Å²	29.8	18%	0.178	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	162	-174.3	67.6	-84.8	0	0	0	113	W212 E220 A265	W212-W256 HydrophobicContact CB-CH2 3.83Å; W212-W256 HydrophobicContact CB-CZ2 4.12Å; W212-W256 AromaticContact CD1-CH2 3.49Å; W212-W256 VanDerWaalsContact CD1-CH2 3.49Å; W212-W256 AromaticContact CD2-CH2 3.04Å; W212-W256 HydrophobicContact CD2-CH2 3.04Å; W212-W256 AromaticContact CD2-CZ2 3.29Å; W212-W256 HydrophobicContact CD2-CZ2 3.29Å; W212-W256 AromaticContact CD2-CZ3 3.85Å; W212-W256 HydrophobicContact CD2-CZ3 3.85Å; W212-W256 AromaticContact CE2-CH2 3.31Å; W212-W256 AromaticContact CE2-CZ2 3.88Å; W212-W256 AromaticContact CE2-CZ3 3.58Å; W212-W256 AromaticContact CE3-CE2 3.95Å; W212-W256 AromaticContact CE3-CH2 3.52Å; W212-W256 HydrophobicContact CE3-CH2 3.52Å; W212-W256 AromaticContact CE3-CZ2 3.18Å; W212-W256 HydrophobicContact CE3-CZ2 3.18Å; W212-W256 HydrophobicContact CE3-CZ3 4.41Å; W212-W256 AromaticContact CG-CH2 3.19Å; W212-W256 HydrophobicContact CG-CH2 3.19Å; W212-W256 AromaticContact CG-CZ2 3.73Å; W212-W256 HydrophobicContact CG-CZ2 3.73Å; W212-W256 HydrophobicContact CG-CZ3 4.13Å; W212-W256 HydrophobicContact CH2-CH2 4.4Å; W212-W256 HydrophobicContact CH2-CZ2 4.3Å; W212-W256 HydrophobicContact CZ2-CE3 4.4Å; W212-W256 AromaticContact CZ2-CH2 3.99Å; W212-W256 HydrophobicContact CZ2-CH2 3.99Å; W212-W256 HydrophobicContact CZ2-CZ2 4.34Å; W212-W256 AromaticContact CZ2-CZ3 3.97Å; W212-W256 HydrophobicContact CZ2-CZ3 3.97Å; W212-W256 HydrophobicContact CZ3-CH2 4.19Å; W212-W256 AromaticContact CZ3-CZ2 3.75Å; W212-W256 HydrophobicContact CZ3-CZ2 3.75Å; W212-W256 AromaticContact NE1-CH2 3.55Å; W212-W256 AromaticContact NE1-CZ3 3.71Å; E220-W256 PolarHBondContact OE2-NE1 2.77Å; W256-A265 HydrophobicContact CD2-CB 3.77Å; W256-A265 VanDerWaalsContact CE2-CB 3.49Å; W256-A265 HydrophobicContact CG-CB 3.7Å; W256-A265 HydrophobicContact CZ2-CB 4.26Å; W256-A265 WeakPolarHBondContact O-CB 3.02Å; W256-A265 PolarHBondContact O-N 3.05Å
257	V	87.6	Confident	91.5	Very high	35 Å²	35	27.6 Å²	27.6	21%	0.212	14%	0.143	C	C	.	.			trans	-142	152.8	173.1	-80.3	0	0	0	0	108.9	I231	I231-V257 HydrophobicContact CD1-CG1 3.94Å; I231-V257 HydrophobicContact CG1-CG1 3.36Å
258	T	84	Confident	91.6	Very high	85 Å²	85	24.8 Å²	24.8	52%	0.521	13%	0.134	S	C	.	.	S	Bend	trans	-74.8	-52.9	165.8	-55.7	0	0	0	0	110
259	N	84.2	Confident	91.7	Very high	87 Å²	87	23.9 Å²	23.9	47%	0.465	13%	0.13	S	C	.	.	S	Bend	trans	-132.2	149.1	172.2	-57.9	-58.9	0	0	0	109.7	E262	N259-E262 HydrophobicContact CB-CG 4.07Å; N259-E262 PolarHBondContact ND2-OE1 3.03Å; N259-E262 PolarHBondContact ND2-OE2 2.75Å; N259-E262 PolarHBondContact O-N 2.77Å
260	C	85.3	Confident	91.7	Very high	46 Å²	46	22.4 Å²	22.4	31%	0.311	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	139.1	175.6	-61	0	0	0	0	111.2	V44 C232 E262	V44-C260 HydrophobicContact CG2-CB 3.87Å; C232-C260 WeakPolarHBondContact CA-SG 3.4Å; C232-C260 HydrophobicContact CB-CB 3.59Å; C232-C260 WeakPolarHBondContact CB-SG 3.28Å; C232-C260 WeakPolarHBondContact SG-CB 3.22Å; C232-C260 CovalentContact SG-SG 2.03Å; C232-C260 PolarHBondContact SG-SG 2.67Å; C260-E262 VanDerWaalsContact C-N 3.28Å; C260-E262 PolarHBondContact O-N 3.43Å
261	G	76.8	Confident	91.6	Very high	7 Å²	7	26.2 Å²	26.2	7%	0.072	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	81	-0.9	-179.2	0	0	0	0	0	115.7	G228 G229	G228-G261 CarbonylContact C-O 3.56Å; G229-G261 PolarHBondContact N-O 2.86Å
262	E	83.4	Confident	91.6	Very high	90 Å²	90	26.4 Å²	26.4	42%	0.421	14%	0.143	S	C	.	.	S	Bend	trans	-89.1	-169.1	169.3	-67.5	-175.9	-176.5	0	0	111.4	H224 N259 C260 S264	H224-E262 VanDerWaalsContact ND1-C 3.33Å; H224-E262 PolarHBondContact ND1-O 2.69Å; N259-E262 HydrophobicContact CB-CG 4.07Å; N259-E262 PolarHBondContact ND2-OE1 3.03Å; N259-E262 PolarHBondContact ND2-OE2 2.75Å; N259-E262 PolarHBondContact O-N 2.77Å; C260-E262 VanDerWaalsContact C-N 3.28Å; C260-E262 PolarHBondContact O-N 3.43Å; E262-S264 PolarHBondContact O-N 2.79Å; E262-S264 PolarHBondContact O-OG 3.28Å
263	V	88.4	Confident	91.6	Very high	32 Å²	32	26.5 Å²	26.5	19%	0.194	14%	0.143	C	C	.	.			trans	-52.4	126.2	171.9	-178.2	0	0	0	0	109.1	T205 W212 C222 H224	T205-V263 HydrophobicContact CG2-CG1 4.39Å; W212-V263 HydrophobicContact CH2-CG1 4.04Å; W212-V263 WeakPolarHBondContact CH2-O 3.35Å; W212-V263 HydrophobicContact CZ2-CB 4.33Å; W212-V263 HydrophobicContact CZ2-CG1 4.25Å; W212-V263 WeakPolarHBondContact CZ2-O 3.49Å; C222-V263 HydrophobicContact CB-CG1 3.73Å; H224-V263 HydrophobicContact CB-CB 4.5Å; H224-V263 HydrophobicContact CB-CG2 4.06Å; H224-V263 PolarHBondContact ND1-N 2.79Å
264	S	90.9	Very high	91.5	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	133.7	-174.1	-64.4	0	0	0	0	111	C222 A223 G230 I231 E262 F266	C222-S264 WeakPolarHBondContact CA-O 3.49Å; A223-S264 PolarHBondContact N-O 3.23Å; A223-S264 PolarHBondContact O-N 2.85Å; G230-S264 VanDerWaalsContact CA-OG 3.23Å; G230-S264 WeakPolarHBondContact CA-OG 3.48Å; I231-S264 PolarHBondContact N-OG 3.36Å; E262-S264 PolarHBondContact O-N 2.79Å; E262-S264 PolarHBondContact O-OG 3.28Å; S264-F266 VanDerWaalsContact CB-CE2 3.47Å; S264-F266 WeakPolarHBondContact O-CD2 2.91Å; S264-F266 WeakPolarHBondContact O-CE2 3.35Å
265	A	92.7	Very high	91.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	133.8	-177	0	0	0	0	0	109.7	W212 S255 W256	W212-A265 HydrophobicContact CE3-CB 4.13Å; W212-A265 HydrophobicContact CH2-CB 3.35Å; W212-A265 VanDerWaalsContact CH2-N 3.3Å; W212-A265 HydrophobicContact CZ2-CB 4.46Å; W212-A265 HydrophobicContact CZ3-CB 3.12Å; S255-A265 PolarHBondContact N-O 2.74Å; W256-A265 HydrophobicContact CD2-CB 3.77Å; W256-A265 VanDerWaalsContact CE2-CB 3.49Å; W256-A265 HydrophobicContact CG-CB 3.7Å; W256-A265 HydrophobicContact CZ2-CB 4.26Å; W256-A265 WeakPolarHBondContact O-CB 3.02Å; W256-A265 PolarHBondContact O-N 3.05Å
266	F	94.9	Very high	91.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	143.6	175.2	-58	-97.2	0	0	0	110.1	L202 E220 I221 A223 I231 L240 I253 A254 S264 N268	L202-F266 HydrophobicContact CD1-CE2 3.99Å; L202-F266 HydrophobicContact CD1-CZ 3.71Å; E220-F266 CarbonylContact C-O 3.17Å; E220-F266 VanDerWaalsContact CA-O 3.27Å; E220-F266 WeakPolarHBondContact CA-O 3.3Å; I221-F266 HydrophobicContact CG1-CB 3.88Å; I221-F266 PolarHBondContact N-O 2.77Å; I221-F266 PolarHBondContact O-N 3.41Å; I221-F266 VanDerWaalsContact O-O 3.11Å; A223-F266 HydrophobicContact CB-CD2 4.35Å; A223-F266 HydrophobicContact CB-CE2 3.9Å; I231-F266 HydrophobicContact CG2-CE1 3.89Å; I231-F266 HydrophobicContact CG2-CZ 3.65Å; L240-F266 HydrophobicContact CB-CD1 3.64Å; L240-F266 HydrophobicContact CB-CE1 3.76Å; L240-F266 HydrophobicContact CB-CG 4.13Å; L240-F266 HydrophobicContact CB-CZ 4.32Å; L240-F266 HydrophobicContact CD1-CE1 4.2Å; L240-F266 HydrophobicContact CD1-CE2 4.23Å; L240-F266 HydrophobicContact CD1-CZ 3.93Å; L240-F266 HydrophobicContact CD2-CD1 4.32Å; L240-F266 HydrophobicContact CD2-CD2 3.89Å; L240-F266 HydrophobicContact CD2-CE2 4.12Å; L240-F266 HydrophobicContact CD2-CG 4Å; L240-F266 HydrophobicContact CD2-CZ 4.46Å; L240-F266 HydrophobicContact CG-CD1 4.46Å; L240-F266 HydrophobicContact CG-CE1 4.4Å; L240-F266 HydrophobicContact CG-CZ 4.48Å; I253-F266 CarbonylContact O-C 3.23Å; I253-F266 WeakPolarHBondContact O-CA 3.4Å; A254-F266 VanDerWaalsContact CA-CD1 3.5Å; A254-F266 HydrophobicContact CB-CD1 4.15Å; A254-F266 HydrophobicContact CB-CE1 3.93Å; S264-F266 VanDerWaalsContact CB-CE2 3.47Å; S264-F266 WeakPolarHBondContact O-CD2 2.91Å; S264-F266 WeakPolarHBondContact O-CE2 3.35Å; F266-N268 PolarHBondContact O-N 3.17Å
267	V	95.8	Very high	92	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.018	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	131.7	165.8	-177.2	0	0	0	0	109.1	D146 I147 G252 I253 V269 Y272	D146-V267 HydrophobicContact CB-CG2 3.89Å; D146-V267 VanDerWaalsContact O-CG2 3.28Å; D146-V267 WeakPolarHBondContact O-CG2 3.34Å; I147-V267 HydrophobicContact CB-CG1 4.24Å; I147-V267 HydrophobicContact CD1-CG1 4.49Å; G252-V267 VanDerWaalsContact CA-O 3.22Å; G252-V267 WeakPolarHBondContact CA-O 3.1Å; I253-V267 HydrophobicContact CB-CB 4.15Å; I253-V267 HydrophobicContact CB-CG2 4.42Å; I253-V267 HydrophobicContact CD1-CB 4.49Å; I253-V267 PolarHBondContact N-O 2.83Å; I253-V267 PolarHBondContact O-N 3Å; V267-V269 PolarHBondContact O-N 3.33Å; V267-V269 VanDerWaalsContact O-N 3.1Å; V267-Y272 HydrophobicContact CG1-CD2 3.52Å; V267-Y272 HydrophobicContact CG1-CE2 3.31Å
268	N	95.6	Very high	92.4	Very high	25 Å²	25	34.9 Å²	34.9	13%	0.134	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	95.6	175.3	-175.1	-1.1	0	0	0	110.8	P218 Q219 I221 F266 S270 H271 Y272	P218-N268 WeakPolarHBondContact O-CB 3.19Å; P218-N268 PolarHBondContact O-ND2 2.85Å; Q219-N268 WeakPolarHBondContact O-CB 3.42Å; Q219-N268 PolarHBondContact O-N 3.04Å; I221-N268 HydrophobicContact CG2-CB 3.92Å; F266-N268 PolarHBondContact O-N 3.17Å; N268-S270 PolarHBondContact O-N 3.14Å; N268-S270 PolarHBondContact OD1-N 3.39Å; N268-H271 HydrophobicContact CB-CB 4.06Å; N268-H271 VanDerWaalsContact O-CB 3.27Å; N268-H271 WeakPolarHBondContact O-CB 2.65Å; N268-H271 PolarHBondContact O-N 2.02Å; N268-Y272 VanDerWaalsContact O-CD2 3.31Å; N268-Y272 WeakPolarHBondContact O-CD2 3.23Å
269	V	97.7	Very high	93	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-60.3	-35.7	-174.3	177.8	0	0	0	0	112.5	L88 V167 P168 V250 F251 I253 V267 H271 Y272 S273 I276	L88-V269 HydrophobicContact CD2-CG1 4Å; L88-V269 HydrophobicContact CD2-CG2 4.19Å; V167-V269 HydrophobicContact CG1-CG1 4.03Å; P168-V269 HydrophobicContact CG-CB 4.05Å; P168-V269 HydrophobicContact CG-CG1 3.83Å; V250-V269 HydrophobicContact CG1-CG1 4.46Å; V250-V269 HydrophobicContact CG2-CG2 4.31Å; V250-V269 WeakPolarHBondContact O-CB 2.92Å; V250-V269 WeakPolarHBondContact O-CG1 3.4Å; V250-V269 WeakPolarHBondContact O-CG2 3.44Å; F251-V269 PolarHBondContact O-N 3.44Å; I253-V269 HydrophobicContact CD1-CG2 3.93Å; I253-V269 HydrophobicContact CG1-CG2 3.68Å; V267-V269 PolarHBondContact O-N 3.33Å; V267-V269 VanDerWaalsContact O-N 3.1Å; V269-H271 PolarHBondContact O-N 2.88Å; V269-Y272 CarbonylContact O-C 3.51Å; V269-Y272 PolarHBondContact O-N 3.24Å; V269-S273 PolarHBondContact O-N 3.01Å; V269-S273 VanDerWaalsContact O-N 3.11Å; V269-S273 PolarHBondContact O-OG 2.72Å; V269-I276 HydrophobicContact CG1-CD1 3.61Å
270	S	96.4	Very high	93.5	Very high	5 Å²	5	27 Å²	27	4%	0.035	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-58.6	-35.1	177	175.1	0	0	0	0	112.4	E169 K171 D172 N268 Y272 S273	E169-S270 PolarHBondContact O-OG 3.44Å; K171-S270 PolarHBondContact N-OG 3.12Å; D172-S270 PolarHBondContact N-OG 3.24Å; D172-S270 VanDerWaalsContact N-OG 3.13Å; D172-S270 VanDerWaalsContact O-CB 3.24Å; D172-S270 WeakPolarHBondContact O-CB 3.26Å; D172-S270 PolarHBondContact O-OG 3.01Å; N268-S270 PolarHBondContact O-N 3.14Å; N268-S270 PolarHBondContact OD1-N 3.39Å; S270-Y272 PolarHBondContact O-N 3.25Å; S270-S273 WeakPolarHBondContact CA-OG 3.46Å; S270-S273 PolarHBondContact O-N 2.57Å; S270-S273 PolarHBondContact O-OG 3.47Å
271	H	95.3	Very high	93.9	Very high	80 Å²	80	32.2 Å²	32.2	37%	0.37	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-64.5	-30.7	175.1	-177.5	69	0	0	0	112.4	N268 V269	N268-H271 HydrophobicContact CB-CB 4.06Å; N268-H271 VanDerWaalsContact O-CB 3.27Å; N268-H271 WeakPolarHBondContact O-CB 2.65Å; N268-H271 PolarHBondContact O-N 2.02Å; V269-H271 PolarHBondContact O-N 2.88Å
272	Y	97.1	Very high	94.7	Very high	7 Å²	7	36.6 Å²	36.6	3%	0.027	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-102.2	6.4	-176.8	-64	-81.1	0	0	0	114	H136 N145 I147 Q219 V267 N268 V269 S270 D274 W275 I276	H136-Y272 AromaticContact CD2-CD1 3.96Å; H136-Y272 AromaticContact CD2-CE1 3.51Å; N145-Y272 PolarHBondContact OD1-OH 3.37Å; I147-Y272 HydrophobicContact CD1-CD2 4.19Å; I147-Y272 HydrophobicContact CD1-CG 3.96Å; I147-Y272 HydrophobicContact CG2-CD1 4.02Å; I147-Y272 HydrophobicContact CG2-CE1 4.19Å; I147-Y272 HydrophobicContact CG2-CG 4.18Å; Q219-Y272 HydrophobicContact CB-CE2 4.39Å; Q219-Y272 WeakPolarHBondContact CB-OH 3.47Å; Q219-Y272 WeakPolarHBondContact CG-OH 3.42Å; V267-Y272 HydrophobicContact CG1-CD2 3.52Å; V267-Y272 HydrophobicContact CG1-CE2 3.31Å; N268-Y272 VanDerWaalsContact O-CD2 3.31Å; N268-Y272 WeakPolarHBondContact O-CD2 3.23Å; V269-Y272 CarbonylContact O-C 3.51Å; V269-Y272 PolarHBondContact O-N 3.24Å; S270-Y272 PolarHBondContact O-N 3.25Å; Y272-D274 VanDerWaalsContact C-N 3.32Å; Y272-D274 PolarHBondContact O-N 3.02Å; Y272-W275 CarbonylContact O-C 3.58Å; Y272-W275 WeakPolarHBondContact O-CA 3.4Å; Y272-W275 WeakPolarHBondContact O-CB 3.04Å; Y272-W275 PolarHBondContact O-N 2.84Å; Y272-I276 WeakPolarHBondContact O-CG1 3.18Å; Y272-I276 PolarHBondContact O-N 3.2Å
273	S	96.9	Very high	95.2	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.007	15%	0.153	C	C	.	.	H	α-helix	trans	-55.2	-42.3	-173.1	-64.2	0	0	0	0	114	P168 V269 S270 I276 R277	P168-S273 WeakPolarHBondContact O-CB 3.28Å; P168-S273 PolarHBondContact O-OG 2.93Å; V269-S273 PolarHBondContact O-N 3.01Å; V269-S273 VanDerWaalsContact O-N 3.11Å; V269-S273 PolarHBondContact O-OG 2.72Å; S270-S273 WeakPolarHBondContact CA-OG 3.46Å; S270-S273 PolarHBondContact O-N 2.57Å; S270-S273 PolarHBondContact O-OG 3.47Å; S273-I276 PolarHBondContact O-N 2.88Å; S273-R277 WeakPolarHBondContact O-CG 3.13Å; S273-R277 PolarHBondContact O-N 3.45Å; S273-R277 VanDerWaalsContact O-N 3.13Å
274	D	96.5	Very high	95.2	Very high	96 Å²	96	34 Å²	34	51%	0.513	16%	0.16	S	C	.	.	H	α-helix	trans	-67.3	-40.5	177.6	-69.5	-16.1	0	0	0	111.5	N170 Y272 R277 G278	N170-D274 PolarHBondContact ND2-OD2 3.06Å; Y272-D274 VanDerWaalsContact C-N 3.32Å; Y272-D274 PolarHBondContact O-N 3.02Å; D274-R277 PolarHBondContact O-N 2.79Å; D274-G278 PolarHBondContact O-N 3.12Å
275	W	97.4	Very high	95	Very high	52 Å²	52	37.5 Å²	37.5	20%	0.197	18%	0.176	C	C	.	.	H	α-helix	trans	-64.2	-41.5	174.7	172.8	78.2	0	0	0	111.6	L134 H136 I147 V149 Y272 R277 G278 A279	L134-W275 HydrophobicContact CB-CZ2 4.48Å; H136-W275 HydrophobicContact CB-CD2 3.82Å; H136-W275 VanDerWaalsContact CB-CE2 3.46Å; H136-W275 HydrophobicContact CB-CE3 4.28Å; H136-W275 HydrophobicContact CB-CG 4.4Å; H136-W275 HydrophobicContact CB-CH2 4.07Å; H136-W275 HydrophobicContact CB-CZ2 3.59Å; H136-W275 HydrophobicContact CB-CZ3 4.41Å; H136-W275 AromaticContact CE1-CD1 3.68Å; H136-W275 AromaticContact CG-CD1 3.96Å; H136-W275 AromaticContact CG-CD2 3.99Å; H136-W275 AromaticContact CG-CE2 3.88Å; H136-W275 AromaticContact CG-NE1 3.81Å; H136-W275 AromaticContact ND1-CD1 2.99Å; H136-W275 AromaticContact ND1-CD2 3.75Å; H136-W275 AromaticContact ND1-CE2 3.6Å; H136-W275 AromaticContact ND1-CG 3.39Å; H136-W275 AromaticContact ND1-NE1 3.08Å; H136-W275 PolarHBondContact ND1-NE1 2.96Å; I147-W275 HydrophobicContact CB-CZ3 4.25Å; I147-W275 HydrophobicContact CD1-CE3 4.05Å; I147-W275 HydrophobicContact CD1-CZ3 3.68Å; I147-W275 HydrophobicContact CG1-CE3 4.43Å; I147-W275 HydrophobicContact CG1-CH2 4.29Å; I147-W275 HydrophobicContact CG1-CZ3 3.63Å; I147-W275 HydrophobicContact CG2-CE3 4.15Å; I147-W275 HydrophobicContact CG2-CH2 4.13Å; I147-W275 HydrophobicContact CG2-CZ3 3.77Å; V149-W275 HydrophobicContact CG2-CH2 3.95Å; V149-W275 HydrophobicContact CG2-CZ3 3.85Å; Y272-W275 CarbonylContact O-C 3.58Å; Y272-W275 WeakPolarHBondContact O-CA 3.4Å; Y272-W275 WeakPolarHBondContact O-CB 3.04Å; Y272-W275 PolarHBondContact O-N 2.84Å; W275-R277 VanDerWaalsContact C-N 3.29Å; W275-R277 PolarHBondContact O-N 3.22Å; W275-G278 PolarHBondContact O-N 3.36Å; W275-A279 HydrophobicContact CD2-CB 4.46Å; W275-A279 HydrophobicContact CH2-CB 4.4Å; W275-A279 HydrophobicContact CZ2-CB 4.03Å; W275-A279 VanDerWaalsContact O-CB 3.28Å; W275-A279 WeakPolarHBondContact O-CB 3.16Å; W275-A279 PolarHBondContact O-N 3.2Å
276	I	98	Very high	94.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-58.4	-43.7	177	-67.5	166.5	0	0	0	110.2	I75 L77 L88 I147 V149 V167 V269 Y272 S273 A279 A280	I75-I276 HydrophobicContact CD1-CG2 3.9Å; L77-I276 HydrophobicContact CD1-CG2 4.48Å; L77-I276 HydrophobicContact CD2-CG2 4.41Å; L88-I276 HydrophobicContact CD1-CD1 4Å; L88-I276 HydrophobicContact CD1-CG1 4.15Å; L88-I276 HydrophobicContact CD2-CD1 4.24Å; I147-I276 HydrophobicContact CD1-CD1 4.02Å; I147-I276 HydrophobicContact CD1-CG1 4.07Å; V149-I276 HydrophobicContact CG2-CG2 4.3Å; V167-I276 HydrophobicContact CG1-CD1 4.1Å; V269-I276 HydrophobicContact CG1-CD1 3.61Å; Y272-I276 WeakPolarHBondContact O-CG1 3.18Å; Y272-I276 PolarHBondContact O-N 3.2Å; S273-I276 PolarHBondContact O-N 2.88Å; I276-A279 PolarHBondContact O-N 2.92Å; I276-A280 VanDerWaalsContact O-CB 3.32Å; I276-A280 WeakPolarHBondContact O-CB 3.49Å; I276-A280 PolarHBondContact O-N 3.16Å
277	R	96.4	Very high	93.3	Very high	80 Å²	80	45.8 Å²	45.8	30%	0.302	21%	0.21	S	C	.	.	H	α-helix	trans	-64.3	-44.9	176.6	-66.9	175.7	-169.2	-71.1	-1.3	112.1	L77 E169 S273 D274 W275 A280 W281	L77-R277 HydrophobicContact CD1-CB 4.4Å; L77-R277 HydrophobicContact CD1-CG 4.1Å; L77-R277 HydrophobicContact CD2-CG 4.39Å; E169-R277 IonicContact OE1-CZ 3.61Å; E169-R277 IonicContact OE1-NH2 2.66Å; E169-R277 PolarHBondContact OE1-NH2 3.03Å; E169-R277 IonicContact OE2-CZ 2.58Å; E169-R277 IonicContact OE2-NE 2.71Å; E169-R277 IonicContact OE2-NH2 3.21Å; E169-R277 PolarHBondContact OE2-NH2 3.28Å; S273-R277 WeakPolarHBondContact O-CG 3.13Å; S273-R277 PolarHBondContact O-N 3.45Å; S273-R277 VanDerWaalsContact O-N 3.13Å; D274-R277 PolarHBondContact O-N 2.79Å; W275-R277 VanDerWaalsContact C-N 3.29Å; W275-R277 PolarHBondContact O-N 3.22Å; R277-A280 PolarHBondContact O-N 3.46Å; R277-W281 WeakPolarHBondContact O-CB 3.36Å; R277-W281 PolarHBondContact O-N 3.02Å
278	G	96.5	Very high	91.7	Very high	37 Å²	37	50.1 Å²	50.1	38%	0.381	24%	0.236	S	C	.	.	H	α-helix	trans	-63.2	-43	176.3	0	0	0	0	0	112.9	D274 W275 W281 W282	D274-G278 PolarHBondContact O-N 3.12Å; W275-G278 PolarHBondContact O-N 3.36Å; G278-W281 PolarHBondContact O-N 2.89Å; G278-W282 WeakPolarHBondContact O-CB 3.37Å; G278-W282 PolarHBondContact O-N 3.01Å
279	A	96.7	Very high	89.9	Confident	3 Å²	3	56 Å²	56	3%	0.025	26%	0.261	C	S	.	.	H	α-helix	trans	-63.8	-44.2	177.4	0	0	0	0	0	111.5	L134 V149 W275 I276 W282 L283	L134-A279 HydrophobicContact CB-CB 4.34Å; L134-A279 HydrophobicContact CD1-CB 3.88Å; V149-A279 HydrophobicContact CB-CB 4.34Å; V149-A279 HydrophobicContact CG2-CB 4.22Å; W275-A279 HydrophobicContact CD2-CB 4.46Å; W275-A279 HydrophobicContact CH2-CB 4.4Å; W275-A279 HydrophobicContact CZ2-CB 4.03Å; W275-A279 VanDerWaalsContact O-CB 3.28Å; W275-A279 WeakPolarHBondContact O-CB 3.16Å; W275-A279 PolarHBondContact O-N 3.2Å; I276-A279 PolarHBondContact O-N 2.92Å; A279-W282 PolarHBondContact O-N 2.94Å; A279-L283 WeakPolarHBondContact O-CB 3.22Å; A279-L283 VanDerWaalsContact O-CG 3.27Å; A279-L283 WeakPolarHBondContact O-CG 3.48Å; A279-L283 PolarHBondContact O-N 3.49Å
280	A	95	Very high	88	Confident	3 Å²	3	59.6 Å²	59.6	3%	0.025	29%	0.29	C	S	.	.	H	α-helix	trans	-60.1	-47.9	175.1	0	0	0	0	0	112.1	L77 L86 I276 R277 W282 L283 D284	L77-A280 HydrophobicContact CD1-CB 3.41Å; L77-A280 VanDerWaalsContact CD1-CB 3.41Å; L86-A280 HydrophobicContact CD1-CB 3.55Å; L86-A280 HydrophobicContact CD2-CB 4.3Å; I276-A280 VanDerWaalsContact O-CB 3.32Å; I276-A280 WeakPolarHBondContact O-CB 3.49Å; I276-A280 PolarHBondContact O-N 3.16Å; R277-A280 PolarHBondContact O-N 3.46Å; A280-W282 VanDerWaalsContact C-N 3.34Å; A280-W282 PolarHBondContact O-N 3.1Å; A280-L283 PolarHBondContact O-N 3.09Å; A280-D284 PolarHBondContact O-N 2.78Å
281	W	94.1	Very high	86.1	Confident	156 Å²	156	64.9 Å²	64.9	59%	0.591	31%	0.314	S	S	*	.	H	α-helix	trans	-59.7	-43.9	176.1	173.2	81.4	0	0	0	112	R277 G278 L283 D284 E285	R277-W281 WeakPolarHBondContact O-CB 3.36Å; R277-W281 PolarHBondContact O-N 3.02Å; G278-W281 PolarHBondContact O-N 2.89Å; W281-L283 PolarHBondContact O-N 2.8Å; W281-D284 PolarHBondContact O-N 2.98Å; W281-E285 HydrophobicContact CD2-CG 4.32Å; W281-E285 HydrophobicContact CZ2-CG 3.89Å; W281-E285 PolarHBondContact O-N 2.7Å
282	W	94	Very high	84.1	Confident	99 Å²	99	66.3 Å²	66.3	38%	0.375	33%	0.331	S	S	.	.	H	α-helix	trans	-62.9	-44.2	178.3	-172.4	99.4	0	0	0	111.5	L134 G278 A279 A280 D284 E285 W286	L134-W282 HydrophobicContact CD1-CB 4.05Å; L134-W282 HydrophobicContact CD1-CD2 3.9Å; L134-W282 HydrophobicContact CD1-CE3 3.54Å; L134-W282 HydrophobicContact CD1-CG 4.13Å; L134-W282 HydrophobicContact CD1-CZ3 4.3Å; L134-W282 HydrophobicContact CD2-CD2 4.48Å; L134-W282 HydrophobicContact CD2-CE3 3.91Å; L134-W282 HydrophobicContact CD2-CH2 4.34Å; L134-W282 HydrophobicContact CD2-CZ3 3.83Å; L134-W282 HydrophobicContact CG-CE3 3.92Å; L134-W282 HydrophobicContact CG-CZ3 4.18Å; G278-W282 WeakPolarHBondContact O-CB 3.37Å; G278-W282 PolarHBondContact O-N 3.01Å; A279-W282 PolarHBondContact O-N 2.94Å; A280-W282 VanDerWaalsContact C-N 3.34Å; A280-W282 PolarHBondContact O-N 3.1Å; W282-D284 VanDerWaalsContact C-N 3.31Å; W282-D284 PolarHBondContact O-N 3.26Å; W282-E285 PolarHBondContact O-N 2.87Å; W282-W286 AromaticContact CD1-CD1 3.29Å; W282-W286 AromaticContact CD1-NE1 3.43Å; W282-W286 HydrophobicContact CD2-CB 4.12Å; W282-W286 AromaticContact CD2-CD1 3.63Å; W282-W286 HydrophobicContact CD2-CG 4Å; W282-W286 AromaticContact CE2-CD1 3.45Å; W282-W286 VanDerWaalsContact CE2-CD1 3.45Å; W282-W286 AromaticContact CE2-CG 3.62Å; W282-W286 AromaticContact CE2-NE1 3.97Å; W282-W286 HydrophobicContact CE3-CB 4.2Å; W282-W286 AromaticContact CG-CD1 3.54Å; W282-W286 HydrophobicContact CG-CG 4.37Å; W282-W286 HydrophobicContact CH2-CB 4.09Å; W282-W286 HydrophobicContact CH2-CG 4.49Å; W282-W286 HydrophobicContact CZ2-CB 3.98Å; W282-W286 HydrophobicContact CZ2-CD2 4.36Å; W282-W286 AromaticContact CZ2-CG 3.89Å; W282-W286 HydrophobicContact CZ2-CG 3.89Å; W282-W286 HydrophobicContact CZ3-CB 4.2Å; W282-W286 AromaticContact NE1-CD1 3.22Å; W282-W286 AromaticContact NE1-CE2 3.91Å; W282-W286 AromaticContact NE1-CG 3.76Å; W282-W286 AromaticContact NE1-NE1 3.29Å; W282-W286 WeakPolarHBondContact O-CB 3.21Å; W282-W286 PolarHBondContact O-N 2.88Å
283	L	93.7	Very high	81.9	Confident	2 Å²	2	71.9 Å²	71.9	1%	0.01	37%	0.365	C	S	.	.	H	α-helix	trans	-63.1	-36.4	177.6	-74	164.8	0	0	0	112	L134 V149 K151 A279 A280 W281 L287	L134-L283 HydrophobicContact CD1-CG 4.1Å; L134-L283 HydrophobicContact CG-CD1 4.47Å; L134-L283 HydrophobicContact CG-CD2 4.09Å; L134-L283 HydrophobicContact CG-CG 4.12Å; V149-L283 HydrophobicContact CB-CD1 4.19Å; V149-L283 HydrophobicContact CG1-CD1 3.75Å; K151-L283 HydrophobicContact CB-CB 4.24Å; K151-L283 HydrophobicContact CB-CD1 4.29Å; K151-L283 HydrophobicContact CB-CD2 4.23Å; K151-L283 HydrophobicContact CB-CG 4.5Å; K151-L283 HydrophobicContact CD-CB 4.42Å; K151-L283 HydrophobicContact CG-CB 4.49Å; A279-L283 WeakPolarHBondContact O-CB 3.22Å; A279-L283 VanDerWaalsContact O-CG 3.27Å; A279-L283 WeakPolarHBondContact O-CG 3.48Å; A279-L283 PolarHBondContact O-N 3.49Å; A280-L283 PolarHBondContact O-N 3.09Å; W281-L283 PolarHBondContact O-N 2.8Å; L283-L287 HydrophobicContact CB-CD1 4.32Å; L283-L287 HydrophobicContact CD2-CD1 3.58Å; L283-L287 HydrophobicContact CD2-CG 4.32Å; L283-L287 VanDerWaalsContact O-CB 3.27Å; L283-L287 WeakPolarHBondContact O-CB 3.44Å; L283-L287 WeakPolarHBondContact O-CG 3.18Å; L283-L287 PolarHBondContact O-N 2.73Å
284	D	88.4	Confident	79.4	Confident	64 Å²	64	79.7 Å²	79.7	34%	0.342	41%	0.407	S	S	.	.	H	α-helix	trans	-65.9	-48.1	174.1	-81.2	-28.3	0	0	0	112.2	K151 A280 W281 W282 V288	K151-D284 WeakPolarHBondContact CE-OD1 3.37Å; K151-D284 IonicContact NZ-OD1 3.88Å; K151-D284 PolarHBondContact NZ-OD1 3.22Å; A280-D284 PolarHBondContact O-N 2.78Å; W281-D284 PolarHBondContact O-N 2.98Å; W282-D284 VanDerWaalsContact C-N 3.31Å; W282-D284 PolarHBondContact O-N 3.26Å; D284-V288 WeakPolarHBondContact O-CB 3.38Å; D284-V288 WeakPolarHBondContact O-CG2 3.18Å
285	E	85.6	Confident	76.5	Confident	75 Å²	75	84.3 Å²	84.3	35%	0.35	44%	0.439	S	S	.	.	H	α-helix	trans	-74.8	-45.7	-174.1	-77.1	-66.3	141.8	0	0	113.4	W281 W282 K289	W281-E285 HydrophobicContact CD2-CG 4.32Å; W281-E285 HydrophobicContact CZ2-CG 3.89Å; W281-E285 PolarHBondContact O-N 2.7Å; W282-E285 PolarHBondContact O-N 2.87Å; E285-K289 WeakPolarHBondContact O-CD 3.48Å; E285-K289 WeakPolarHBondContact O-CG 3.07Å; E285-K289 PolarHBondContact O-N 2.87Å; E285-K289 IonicContact OE2-NZ 2.74Å; E285-K289 PolarHBondContact OE2-NZ 3.41Å
286	W	79.2	Confident	75.5	Confident	142 Å²	142	86 Å²	86	54%	0.538	45%	0.452	S	S	.	.	H	α-helix	trans	-84.8	-37	-168.9	-75	90.6	0	0	0	113	W282 V288 K289 A290	W282-W286 AromaticContact CD1-CD1 3.29Å; W282-W286 AromaticContact CD1-NE1 3.43Å; W282-W286 HydrophobicContact CD2-CB 4.12Å; W282-W286 AromaticContact CD2-CD1 3.63Å; W282-W286 HydrophobicContact CD2-CG 4Å; W282-W286 AromaticContact CE2-CD1 3.45Å; W282-W286 VanDerWaalsContact CE2-CD1 3.45Å; W282-W286 AromaticContact CE2-CG 3.62Å; W282-W286 AromaticContact CE2-NE1 3.97Å; W282-W286 HydrophobicContact CE3-CB 4.2Å; W282-W286 AromaticContact CG-CD1 3.54Å; W282-W286 HydrophobicContact CG-CG 4.37Å; W282-W286 HydrophobicContact CH2-CB 4.09Å; W282-W286 HydrophobicContact CH2-CG 4.49Å; W282-W286 HydrophobicContact CZ2-CB 3.98Å; W282-W286 HydrophobicContact CZ2-CD2 4.36Å; W282-W286 AromaticContact CZ2-CG 3.89Å; W282-W286 HydrophobicContact CZ2-CG 3.89Å; W282-W286 HydrophobicContact CZ3-CB 4.2Å; W282-W286 AromaticContact NE1-CD1 3.22Å; W282-W286 AromaticContact NE1-CE2 3.91Å; W282-W286 AromaticContact NE1-CG 3.76Å; W282-W286 AromaticContact NE1-NE1 3.29Å; W282-W286 WeakPolarHBondContact O-CB 3.21Å; W282-W286 PolarHBondContact O-N 2.88Å; W286-V288 VanDerWaalsContact C-N 3.32Å; W286-V288 PolarHBondContact O-N 3.28Å; W286-K289 PolarHBondContact O-N 2.9Å; W286-A290 PolarHBondContact O-N 2.71Å
287	L	72.8	Confident	74.3	Confident	32 Å²	32	90.5 Å²	90.5	17%	0.168	48%	0.475	C	S	.	.	H	α-helix	trans	-70.8	-32.9	179.6	-65.6	175.4	0	0	0	111.3	R131 K151 L283 A290	R131-L287 HydrophobicContact CB-CD1 4.29Å; R131-L287 HydrophobicContact CG-CB 4.32Å; R131-L287 HydrophobicContact CG-CD1 4.04Å; R131-L287 PolarHBondContact NE-O 3.02Å; R131-L287 PolarHBondContact NH2-O 3.04Å; K151-L287 HydrophobicContact CB-CD1 3.98Å; K151-L287 HydrophobicContact CG-CD1 4.11Å; L283-L287 HydrophobicContact CB-CD1 4.32Å; L283-L287 HydrophobicContact CD2-CD1 3.58Å; L283-L287 HydrophobicContact CD2-CG 4.32Å; L283-L287 VanDerWaalsContact O-CB 3.27Å; L283-L287 WeakPolarHBondContact O-CB 3.44Å; L283-L287 WeakPolarHBondContact O-CG 3.18Å; L283-L287 PolarHBondContact O-N 2.73Å; L287-A290 PolarHBondContact O-N 3.46Å
288	V	61.9	Low	73	Confident	94 Å²	94	91.1 Å²	91.1	57%	0.57	49%	0.485	S	S	*	.	H	α-helix	trans	-67.5	-40.9	176	174.3	0	0	0	0	111.3	D284 W286 A290 E291	D284-V288 WeakPolarHBondContact O-CB 3.38Å; D284-V288 WeakPolarHBondContact O-CG2 3.18Å; W286-V288 VanDerWaalsContact C-N 3.32Å; W286-V288 PolarHBondContact O-N 3.28Å; V288-A290 VanDerWaalsContact C-N 3.28Å; V288-A290 PolarHBondContact O-N 3.34Å; V288-E291 PolarHBondContact O-N 3.43Å
289	K	58	Low	71.7	Confident	148 Å²	148	94.2 Å²	94.2	64%	0.643	49%	0.491	S	S	*	.	H	α-helix	trans	-71.2	-19	179.4	-73.9	169.3	177.4	150.6	0	114.2	E285 W286 E291	E285-K289 WeakPolarHBondContact O-CD 3.48Å; E285-K289 WeakPolarHBondContact O-CG 3.07Å; E285-K289 PolarHBondContact O-N 2.87Å; E285-K289 IonicContact OE2-NZ 2.74Å; E285-K289 PolarHBondContact OE2-NZ 3.41Å; W286-K289 PolarHBondContact O-N 2.9Å; K289-E291 VanDerWaalsContact C-N 3.32Å
290	A	58.9	Low	70.1	Confident	75 Å²	75	99.9 Å²	99.9	62%	0.62	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-2.1	-179.6	0	0	0	0	0	114.2	W286 L287 V288 P292	W286-A290 PolarHBondContact O-N 2.71Å; L287-A290 PolarHBondContact O-N 3.46Å; V288-A290 VanDerWaalsContact C-N 3.28Å; V288-A290 PolarHBondContact O-N 3.34Å; A290-P292 WeakPolarHBondContact O-CD 2.99Å
291	E	55.6	Low	68.4	Low	116 Å²	116	106.4 Å²	106.4	54%	0.542	55%	0.553	S	S	.	*	S	Bend	trans	-67.1	121.3	169.2	-88.2	172	-154.2	0	0	109.2	R131 V288 K289 T293	R131-E291 IonicContact CZ-OE1 3.18Å; R131-E291 IonicContact NH1-OE1 3.12Å; R131-E291 PolarHBondContact NH1-OE1 2.73Å; R131-E291 IonicContact NH2-OE1 3.85Å; R131-E291 PolarHBondContact NH2-OE1 3.09Å; V288-E291 PolarHBondContact O-N 3.43Å; K289-E291 VanDerWaalsContact C-N 3.32Å; E291-T293 PolarHBondContact O-N 2.03Å
292	P	53.1	Low	66.6	Low	111 Å²	111	102.9 Å²	102.9	72%	0.721	55%	0.55	S	S	*	*			trans	-58	120.1	166.7	-13.1	26.3	0	0	0	106.5	A290 N294	A290-P292 WeakPolarHBondContact O-CD 2.99Å; P292-N294 VanDerWaalsContact C-N 3.28Å; P292-N294 PolarHBondContact O-N 2.91Å
293	T	50	Low	64.5	Low	123 Å²	123	103.2 Å²	103.2	76%	0.755	56%	0.564	S	S	*	*			trans	-57.8	101.5	163.6	48.3	0	0	0	0	106.3	E291 T295	E291-T293 PolarHBondContact O-N 2.03Å; T293-T295 PolarHBondContact O-N 3.39Å
294	N	44.6	Very low	62.1	Low	165 Å²	165	111.6 Å²	111.6	88%	0.882	61%	0.61	S	S	*	*			trans	-66.2	88.4	164.2	-86.4	-14.2	0	0	0	106.7	P292	P292-N294 VanDerWaalsContact C-N 3.28Å; P292-N294 PolarHBondContact O-N 2.91Å
295	T	36.6	Very low	59.7	Low	194 Å²	194	115.9 Å²	115.9	100%	1.19	63%	0.634	S	S	*	*			trans	-86.2	0	151.6	46.7	0	0	0	0	109.1	T293	T293-T295 PolarHBondContact O-N 3.39Å

Retrieved 295 of 295 residues in 379.7 ms (Link to these results)

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