A0A077ZDJ3_TRITR Loading...

LIM domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZDJ3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 179 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	26.6	Very low	26.9	Very low	238 Å²	238	143.9 Å²	143.9	100%	1.172	82%	0.82	S	S	*	*				0	110.5	0	-70.2	178.3	-85.8	0	0	107.4
2	A	30.5	Very low	27	Very low	95 Å²	95	146.9 Å²	146.9	79%	0.785	82%	0.822	S	S	*	*			trans	-91.2	111.4	166.1	0	0	0	0	0	105.3	T4	A2-T4 PolarHBondContact O-N 3.36Å; A2-T4 PolarHBondContact O-OG1 2.95Å
3	E	24.8	Very low	27.1	Very low	182 Å²	182	149.9 Å²	149.9	85%	0.85	83%	0.826	S	S	*	*			trans	-70.4	103.5	-176.3	-66.6	-178.2	148.1	0	0	108.5	F5	E3-F5 PolarHBondContact O-N 2.71Å
4	T	25.3	Very low	27.7	Very low	126 Å²	126	148.1 Å²	148.1	77%	0.773	83%	0.829	S	S	*	*			trans	-82.7	105.4	173.9	-55.3	0	0	0	0	105.6	A2 S6	A2-T4 PolarHBondContact O-N 3.36Å; A2-T4 PolarHBondContact O-OG1 2.95Å; T4-S6 PolarHBondContact O-N 3.19Å
5	F	25.7	Very low	28.2	Very low	204 Å²	204	145.6 Å²	145.6	90%	0.895	82%	0.819	S	S	*	*			trans	-67.2	117.2	175.1	-121.5	-95.3	0	0	0	108.6	E3	E3-F5 PolarHBondContact O-N 2.71Å
6	S	26.2	Very low	29.4	Very low	85 Å²	85	142 Å²	142	59%	0.594	81%	0.813	S	S	*	*			trans	-95.8	140.7	-172.7	-149.4	0	0	0	0	110.1	T4	T4-S6 PolarHBondContact O-N 3.19Å
7	Q	29.3	Very low	30.4	Very low	174 Å²	174	141.6 Å²	141.6	81%	0.813	80%	0.802	S	S	*	*			trans	75.8	104.4	153.2	-61.9	168.1	1	0	0	118.3
8	N	27.7	Very low	31.5	Very low	166 Å²	166	136.8 Å²	136.8	89%	0.888	78%	0.777	S	S	*	*				-137.7	114.4	125.1	-107	-16.3	0	0	0	109.1
9	S	27.6	Very low	32.4	Very low	113 Å²	113	134.4 Å²	134.4	79%	0.79	76%	0.757	S	S	*	*			trans	-75.3	113.8	172.7	50.4	0	0	0	0	109.5
10	V	28.9	Very low	33.1	Very low	141 Å²	141	133.4 Å²	133.4	86%	0.855	75%	0.745	S	S	*	*			trans	-136.1	122.5	155.3	-177	0	0	0	0	106.6
11	G	23.2	Very low	33.6	Very low	59 Å²	59	128.9 Å²	128.9	61%	0.608	72%	0.722	S	S	*	*			trans	-65.8	154.6	-175.6	0	0	0	0	0	113.4
12	E	28.3	Very low	34.6	Very low	180 Å²	180	121.7 Å²	121.7	84%	0.841	70%	0.701	S	S	*	*			trans	43.3	97	137.8	-66.7	169.4	146.5	0	0	116.5
13	Q	28.8	Very low	35	Very low	186 Å²	186	121.3 Å²	121.3	87%	0.869	70%	0.697	S	S	*	*				-175.2	127.8	105.7	-93.2	159.5	39.8	0	0	109.6	T15	Q13-T15 PolarHBondContact O-N 3.01Å
14	S	35.2	Very low	35.9	Very low	124 Å²	124	116.2 Å²	116.2	87%	0.867	68%	0.681	S	S	*	*			trans	-67.2	86.7	-174.2	52.6	0	0	0	0	112.4
15	T	35.7	Very low	37	Very low	111 Å²	111	114.4 Å²	114.4	68%	0.681	67%	0.674	S	S	*	*			trans	-112.8	102.6	147.9	50.8	0	0	0	0	105.3	Q13 E17	Q13-T15 PolarHBondContact O-N 3.01Å; T15-E17 PolarHBondContact O-N 3.23Å
16	A	46.8	Very low	37.9	Very low	88 Å²	88	111 Å²	111	73%	0.727	66%	0.661	S	S	*	*			trans	-66.7	80.2	169.3	0	0	0	0	0	106.9	V18	A16-V18 WeakPolarHBondContact O-CG2 3.5Å; A16-V18 PolarHBondContact O-N 2.92Å
17	E	46.8	Very low	38.8	Very low	135 Å²	135	114.4 Å²	114.4	63%	0.631	66%	0.66	S	S	*	*			trans	-56.7	108.6	176.6	-83.9	-172.2	159.3	0	0	107.2	T15 F19	T15-E17 PolarHBondContact O-N 3.23Å; E17-F19 HydrophobicContact CB-CE2 3.88Å; E17-F19 HydrophobicContact CB-CZ 3.97Å; E17-F19 WeakPolarHBondContact O-CD2 3.35Å; E17-F19 WeakPolarHBondContact O-CE2 3.46Å; E17-F19 PolarHBondContact O-N 2.98Å; E17-F19 WeakPolarHBondContact OE2-CZ 3.49Å
18	V	49.2	Very low	39.8	Very low	56 Å²	56	109.6 Å²	109.6	34%	0.339	64%	0.64	S	S	.	*			trans	-77.2	96.6	-179.2	-177.9	0	0	0	0	107	A16 H20 R27	A16-V18 WeakPolarHBondContact O-CG2 3.5Å; A16-V18 PolarHBondContact O-N 2.92Å; V18-H20 WeakPolarHBondContact CG1-CE1 3.38Å; V18-H20 PolarHBondContact O-CE1 3.33Å; V18-H20 PolarHBondContact O-N 3.14Å; V18-H20 PolarHBondContact O-ND1 2.9Å; V18-R27 HydrophobicContact CG1-CB 4.44Å; V18-R27 VanDerWaalsContact CG1-CD 3.44Å; V18-R27 HydrophobicContact CG1-CG 3.39Å
19	F	48.5	Very low	41	Very low	91 Å²	91	108.4 Å²	108.4	40%	0.399	64%	0.638	S	S	.	*	P	Polyproline II helix	trans	-70.7	122.1	174.2	-66.3	-79.1	0	0	0	109.4	E17 I28 L33	E17-F19 HydrophobicContact CB-CE2 3.88Å; E17-F19 HydrophobicContact CB-CZ 3.97Å; E17-F19 WeakPolarHBondContact O-CD2 3.35Å; E17-F19 WeakPolarHBondContact O-CE2 3.46Å; E17-F19 PolarHBondContact O-N 2.98Å; E17-F19 WeakPolarHBondContact OE2-CZ 3.49Å; F19-I28 HydrophobicContact CB-CB 4.42Å; F19-I28 HydrophobicContact CB-CD1 4.3Å; F19-I28 WeakPolarHBondContact O-CB 3.2Å; F19-I28 PolarHBondContact O-N 3.19Å; F19-L33 HydrophobicContact CB-CD1 4.25Å; F19-L33 HydrophobicContact CD1-CD1 4.5Å; F19-L33 HydrophobicContact CD1-CD2 4.42Å; F19-L33 HydrophobicContact CD2-CD1 3.52Å; F19-L33 HydrophobicContact CE1-CD2 4.39Å; F19-L33 HydrophobicContact CE2-CD1 3.98Å; F19-L33 HydrophobicContact CG-CD1 3.82Å; F19-L33 HydrophobicContact CZ-CD2 4.45Å
20	H	47.2	Very low	42	Very low	113 Å²	113	107.6 Å²	107.6	52%	0.523	63%	0.625	S	S	.	*	B	Isolated β-bridge	trans	-100.3	137.7	174.5	-65	81.3	0	0	0	108.6	V18 A22 S25 Q26	V18-H20 WeakPolarHBondContact CG1-CE1 3.38Å; V18-H20 PolarHBondContact O-CE1 3.33Å; V18-H20 PolarHBondContact O-N 3.14Å; V18-H20 PolarHBondContact O-ND1 2.9Å; H20-A22 PolarHBondContact O-N 2.84Å; H20-S25 PolarHBondContact CD2-O 2.85Å; H20-S25 VanDerWaalsContact CD2-O 3.3Å; H20-Q26 WeakPolarHBondContact CA-O 3.44Å
21	C	42.6	Very low	43.1	Very low	39 Å²	39	110.7 Å²	110.7	26%	0.264	62%	0.621	S	S	.	*	P	Polyproline II helix	trans	-60.6	119.3	172.6	176.5	0	0	0	0	109	A23 C24 S25 Q26 I28	C21-A23 PolarHBondContact O-N 3.03Å; C21-A23 PolarHBondContact SG-N 3.19Å; C21-C24 PolarHBondContact O-N 3.43Å; C21-S25 WeakPolarHBondContact O-CA 3.46Å; C21-S25 PolarHBondContact O-N 2.91Å; C21-Q26 PolarHBondContact N-O 3.42Å; C21-I28 HydrophobicContact CB-CD1 4.42Å; C21-I28 HydrophobicContact CB-CG1 4.22Å
22	A	47.8	Very low	44.3	Very low	87 Å²	87	115.8 Å²	115.8	72%	0.719	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.3	-21.5	179.2	0	0	0	0	0	113.2	H20 L40	H20-A22 PolarHBondContact O-N 2.84Å; A22-L40 HydrophobicContact CB-CD2 4.48Å
23	A	40.6	Very low	45.1	Very low	87 Å²	87	111.4 Å²	111.4	72%	0.719	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-30	-178.1	0	0	0	0	0	114.3	C21	C21-A23 PolarHBondContact O-N 3.03Å; C21-A23 PolarHBondContact SG-N 3.19Å
24	C	42.5	Very low	46	Very low	75 Å²	75	107.4 Å²	107.4	51%	0.507	59%	0.589	S	S	.	*	T	Hydrogen-bonded Turn	trans	-133.2	3.1	-177.2	65.8	0	0	0	0	114.3	C21 Q26	C21-C24 PolarHBondContact O-N 3.43Å; C24-Q26 HydrophobicContact CB-CG 4.48Å; C24-Q26 PolarHBondContact O-N 3.3Å
25	S	48.7	Very low	46.2	Very low	89 Å²	89	109.9 Å²	109.9	62%	0.622	58%	0.584	S	S	*	*			trans	54.7	17.3	-177.2	-53.7	0	0	0	0	114.4	H20 C21	H20-S25 PolarHBondContact CD2-O 2.85Å; H20-S25 VanDerWaalsContact CD2-O 3.3Å; C21-S25 WeakPolarHBondContact O-CA 3.46Å; C21-S25 PolarHBondContact O-N 2.91Å
26	Q	44.6	Very low	46.6	Very low	133 Å²	133	108.1 Å²	108.1	62%	0.621	58%	0.581	S	S	*	*			trans	-84.5	148	176.6	-68.8	-63.1	-23.4	0	0	111.2	H20 C21 C24 I28	H20-Q26 WeakPolarHBondContact CA-O 3.44Å; C21-Q26 PolarHBondContact N-O 3.42Å; C24-Q26 HydrophobicContact CB-CG 4.48Å; C24-Q26 PolarHBondContact O-N 3.3Å; Q26-I28 PolarHBondContact O-N 3.5Å
27	R	45.2	Very low	46.2	Very low	155 Å²	155	108.7 Å²	108.7	59%	0.585	58%	0.575	S	S	*	*	B	Isolated β-bridge	trans	-64	122.1	-178.8	-164.5	165.7	178.6	-171	2.9	110.4	V18 V29	V18-R27 HydrophobicContact CG1-CB 4.44Å; V18-R27 VanDerWaalsContact CG1-CD 3.44Å; V18-R27 HydrophobicContact CG1-CG 3.39Å; R27-V29 PolarHBondContact O-N 2.84Å
28	I	51	Low	46	Very low	74 Å²	74	109 Å²	109	38%	0.379	58%	0.581	S	S	.	*			trans	-78.2	102.6	174.1	-58	175.5	0	0	0	106.9	F19 C21 Q26 D30	F19-I28 HydrophobicContact CB-CB 4.42Å; F19-I28 HydrophobicContact CB-CD1 4.3Å; F19-I28 WeakPolarHBondContact O-CB 3.2Å; F19-I28 PolarHBondContact O-N 3.19Å; C21-I28 HydrophobicContact CB-CD1 4.42Å; C21-I28 HydrophobicContact CB-CG1 4.22Å; Q26-I28 PolarHBondContact O-N 3.5Å; I28-D30 VanDerWaalsContact C-N 3.3Å
29	V	52.7	Low	45.6	Very low	140 Å²	140	111.4 Å²	111.4	85%	0.848	59%	0.593	S	S	*	*			trans	-85.1	-9.7	179.8	-163.5	0	0	0	0	111.4	R27	R27-V29 PolarHBondContact O-N 2.84Å
30	D	48.2	Very low	45.3	Very low	97 Å²	97	114.6 Å²	114.6	52%	0.519	61%	0.613	S	S	.	*	S	Bend	trans	-94.1	144.8	-169.3	-136	-26.1	0	0	0	113.5	I28 Y32	I28-D30 VanDerWaalsContact C-N 3.3Å; D30-Y32 PolarHBondContact O-N 3.05Å
31	R	51.6	Low	45.1	Very low	206 Å²	206	116.7 Å²	116.7	78%	0.777	62%	0.623	S	S	*	*	S	Bend	trans	-75.2	1.8	-173.4	59.6	-175.2	167.5	166.1	-0.3	114.8
32	Y	48.5	Very low	45.3	Very low	165 Å²	165	117.8 Å²	117.8	65%	0.647	63%	0.626	S	S	*	*			trans	-114.3	84.5	-179.8	-58.9	-71.1	0	0	0	109.6	D30 L34	D30-Y32 PolarHBondContact O-N 3.05Å; Y32-L34 PolarHBondContact O-N 3.17Å
33	L	44.3	Very low	45.2	Very low	88 Å²	88	118.6 Å²	118.6	46%	0.461	63%	0.626	S	S	.	*			trans	-71	102.1	177.2	-138.6	104.8	0	0	0	109.5	F19 K35	F19-L33 HydrophobicContact CB-CD1 4.25Å; F19-L33 HydrophobicContact CD1-CD1 4.5Å; F19-L33 HydrophobicContact CD1-CD2 4.42Å; F19-L33 HydrophobicContact CD2-CD1 3.52Å; F19-L33 HydrophobicContact CE1-CD2 4.39Å; F19-L33 HydrophobicContact CE2-CD1 3.98Å; F19-L33 HydrophobicContact CG-CD1 3.82Å; F19-L33 HydrophobicContact CZ-CD2 4.45Å; L33-K35 PolarHBondContact O-N 3.09Å; L33-K35 VanDerWaalsContact O-N 3.14Å
34	L	47.8	Very low	45.5	Very low	103 Å²	103	121.2 Å²	121.2	54%	0.539	62%	0.618	S	S	.	*			trans	-80.2	92.5	163.7	-76.7	162.2	0	0	0	107.7	Y32 A36 L62 F69	Y32-L34 PolarHBondContact O-N 3.17Å; L34-A36 PolarHBondContact O-N 3.5Å; L34-L62 HydrophobicContact CD1-CD2 4.27Å; L34-F69 HydrophobicContact CD1-CE1 3.76Å; L34-F69 HydrophobicContact CD1-CZ 4.38Å
35	K	39.1	Very low	46	Very low	175 Å²	175	123.1 Å²	123.1	76%	0.761	62%	0.618	S	S	*	*			trans	-69	79.2	171.3	-158.2	176.6	-172.8	178	0	108.5	L33 V37	L33-K35 PolarHBondContact O-N 3.09Å; L33-K35 VanDerWaalsContact O-N 3.14Å; K35-V37 VanDerWaalsContact C-N 3.27Å; K35-V37 HydrophobicContact CG-CG2 4.2Å; K35-V37 PolarHBondContact O-N 3.06Å
36	A	45.1	Very low	46.8	Very low	75 Å²	75	122.3 Å²	122.3	62%	0.62	60%	0.603	S	S	*	*			trans	-76.2	85.9	170.4	0	0	0	0	0	108.1	L34 D38	L34-A36 PolarHBondContact O-N 3.5Å; A36-D38 PolarHBondContact O-N 3.32Å
37	V	38.8	Very low	48.3	Very low	99 Å²	99	119.1 Å²	119.1	60%	0.6	59%	0.588	S	S	*	*			trans	-57.9	117.9	170.7	176.7	0	0	0	0	108.5	K35 N39	K35-V37 VanDerWaalsContact C-N 3.27Å; K35-V37 HydrophobicContact CG-CG2 4.2Å; K35-V37 PolarHBondContact O-N 3.06Å; V37-N39 PolarHBondContact O-N 3.18Å
38	D	42.3	Very low	50	Low	142 Å²	142	111.7 Å²	111.7	76%	0.759	56%	0.561	S	S	*	*	S	Bend	trans	56.3	41.9	152.5	-57.9	-28.9	0	0	0	120.6	A36	A36-D38 PolarHBondContact O-N 3.32Å
39	N	40.8	Very low	51.6	Low	107 Å²	107	110.8 Å²	110.8	57%	0.572	56%	0.559	S	S	*	*			trans	-146.1	90.2	157.5	-79.4	-60.9	0	0	0	112.1	V37 Q41 L42	V37-N39 PolarHBondContact O-N 3.18Å; N39-Q41 PolarHBondContact O-N 2.84Å; N39-L42 HydrophobicContact CB-CD1 3.41Å; N39-L42 VanDerWaalsContact CB-CD1 3.41Å; N39-L42 PolarHBondContact O-N 2.73Å; N39-L42 VanDerWaalsContact O-N 3.09Å
40	L	41.6	Very low	53.2	Low	157 Å²	157	107 Å²	107	82%	0.822	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-3.4	166.8	-75.7	159.9	0	0	0	113.6	A22	A22-L40 HydrophobicContact CB-CD2 4.48Å
41	Q	42.9	Very low	55	Low	157 Å²	157	105.5 Å²	105.5	73%	0.734	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	9.5	172.3	-66.2	-174.8	-4.3	0	0	114.5	N39 Y44	N39-Q41 PolarHBondContact O-N 2.84Å; Q41-Y44 VanDerWaalsContact O-CD1 3.3Å; Q41-Y44 WeakPolarHBondContact O-CD1 3.46Å; Q41-Y44 WeakPolarHBondContact O-CE1 3.2Å
42	L	46.7	Very low	56.6	Low	62 Å²	62	101.6 Å²	101.6	33%	0.325	52%	0.52	S	S	.	.			trans	-91.9	15	173.3	-88	103.6	0	0	0	114.8	N39 Y44 K45	N39-L42 HydrophobicContact CB-CD1 3.41Å; N39-L42 VanDerWaalsContact CB-CD1 3.41Å; N39-L42 PolarHBondContact O-N 2.73Å; N39-L42 VanDerWaalsContact O-N 3.09Å; L42-Y44 PolarHBondContact O-N 3.3Å; L42-K45 HydrophobicContact CB-CB 4.31Å; L42-K45 HydrophobicContact CB-CG 4.43Å; L42-K45 HydrophobicContact CD2-CB 3.85Å; L42-K45 HydrophobicContact CD2-CD 3.65Å; L42-K45 HydrophobicContact CD2-CG 3.69Å; L42-K45 HydrophobicContact CG-CB 4.38Å; L42-K45 HydrophobicContact CG-CD 4.45Å; L42-K45 HydrophobicContact CG-CG 4.08Å; L42-K45 WeakPolarHBondContact O-CB 3.3Å; L42-K45 PolarHBondContact O-N 2.98Å
43	S	45.2	Very low	58.1	Low	104 Å²	104	95.4 Å²	95.4	73%	0.727	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-24.4	177.1	59	0	0	0	0	113.7
44	Y	47	Very low	59.4	Low	143 Å²	143	96.3 Å²	96.3	56%	0.561	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-12.4	173.8	75.1	-87	0	0	0	114.5	Q41 L42	Q41-Y44 VanDerWaalsContact O-CD1 3.3Å; Q41-Y44 WeakPolarHBondContact O-CD1 3.46Å; Q41-Y44 WeakPolarHBondContact O-CE1 3.2Å; L42-Y44 PolarHBondContact O-N 3.3Å
45	K	53.3	Low	60.3	Low	114 Å²	114	92.3 Å²	92.3	50%	0.496	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-12	-174.1	-70.1	-128.9	-171.4	179.8	0	115.4	L42 Q47	L42-K45 HydrophobicContact CB-CB 4.31Å; L42-K45 HydrophobicContact CB-CG 4.43Å; L42-K45 HydrophobicContact CD2-CB 3.85Å; L42-K45 HydrophobicContact CD2-CD 3.65Å; L42-K45 HydrophobicContact CD2-CG 3.69Å; L42-K45 HydrophobicContact CG-CB 4.38Å; L42-K45 HydrophobicContact CG-CD 4.45Å; L42-K45 HydrophobicContact CG-CG 4.08Å; L42-K45 WeakPolarHBondContact O-CB 3.3Å; L42-K45 PolarHBondContact O-N 2.98Å; K45-Q47 PolarHBondContact O-N 3.14Å
46	F	65.8	Low	61.5	Low	72 Å²	72	88.8 Å²	88.8	32%	0.316	47%	0.473	S	S	.	.			trans	-86.5	54.9	173.4	-63.8	-77.4	0	0	0	110.9	L55 L62	F46-L55 VanDerWaalsContact O-CB 3.29Å; F46-L55 WeakPolarHBondContact O-CB 3.17Å; F46-L55 WeakPolarHBondContact O-CG 3.49Å; F46-L55 PolarHBondContact O-N 3.37Å; F46-L62 HydrophobicContact CD1-CD1 3.86Å
47	Q	76.8	Confident	62.1	Low	66 Å²	66	91.7 Å²	91.7	31%	0.308	47%	0.474	S	S	.	.	B	Isolated β-bridge	trans	-110.1	147.3	173.7	-69.3	-179.4	-2.4	0	0	109.6	K45 T49 C53	K45-Q47 PolarHBondContact O-N 3.14Å; Q47-T49 PolarHBondContact O-N 2.88Å; Q47-C53 VanDerWaalsContact CA-O 3.23Å; Q47-C53 WeakPolarHBondContact CA-O 3.41Å
48	C	80.1	Confident	62.8	Low	0 Å²	0	90.9 Å²	90.9	0%	0	47%	0.469	C	S	.	.			trans	-58.7	128	169.3	-177.9	0	0	0	0	109.6	V50 C51 K52 C53 L55 F69 C71 D74	C48-V50 PolarHBondContact O-N 3.47Å; C48-V50 VanDerWaalsContact O-N 3.14Å; C48-V50 PolarHBondContact SG-N 3.14Å; C48-C51 WeakPolarHBondContact CB-SG 3.38Å; C48-K52 WeakPolarHBondContact O-CA 3.29Å; C48-K52 WeakPolarHBondContact O-CD 3.4Å; C48-K52 PolarHBondContact O-N 3.06Å; C48-C53 PolarHBondContact N-O 3.11Å; C48-L55 HydrophobicContact CB-CD2 4.48Å; C48-F69 CarbonylContact C-O 3.47Å; C48-F69 WeakPolarHBondContact CA-O 3.48Å; C48-C71 HydrophobicContact CB-CB 4.09Å; C48-C71 PolarHBondContact SG-N 3.02Å; C48-C71 VanDerWaalsContact SG-N 3.4Å; C48-D74 PolarHBondContact SG-OD2 3.05Å
49	T	85.1	Confident	63.4	Low	55 Å²	55	86.2 Å²	86.2	34%	0.337	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-32	177.9	-57.1	0	0	0	0	111.5	Q47 K52 M68 F69	Q47-T49 PolarHBondContact O-N 2.88Å; T49-K52 WeakPolarHBondContact O-CE 3.41Å; T49-K52 PolarHBondContact O-NZ 3.16Å; T49-M68 HydrophobicContact CG2-CB 4.34Å; T49-M68 HydrophobicContact CG2-CG 4.08Å; T49-M68 HydrophobicContact CG2-SD 4.34Å; T49-F69 PolarHBondContact N-O 3.27Å; T49-F69 PolarHBondContact OG1-N 3.46Å; T49-F69 VanDerWaalsContact OG1-N 3.16Å; T49-F69 PolarHBondContact OG1-O 2.81Å
50	V	86.1	Confident	64	Low	61 Å²	61	87.1 Å²	87.1	37%	0.37	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-66.9	-177.3	178.2	0	0	0	0	111.8	C48 L70 D74 M78	C48-V50 PolarHBondContact O-N 3.47Å; C48-V50 VanDerWaalsContact O-N 3.14Å; C48-V50 PolarHBondContact SG-N 3.14Å; V50-L70 HydrophobicContact CB-CD2 4.48Å; V50-L70 HydrophobicContact CG2-CD2 3.69Å; V50-D74 HydrophobicContact CB-CB 4.33Å; V50-D74 WeakPolarHBondContact CB-OD2 3.47Å; V50-M78 HydrophobicContact CG2-SD 3.89Å
51	C	86.6	Confident	65.1	Low	64 Å²	64	82 Å²	82	43%	0.432	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-5	-175.1	71.2	0	0	0	0	115.4	C48 C53 D74	C48-C51 WeakPolarHBondContact CB-SG 3.38Å; C51-C53 PolarHBondContact O-N 2.81Å; C51-C53 PolarHBondContact SG-SG 3.19Å; C51-D74 VanDerWaalsContact CB-OD2 3.27Å; C51-D74 WeakPolarHBondContact CB-OD2 3.22Å; C51-D74 PolarHBondContact N-OD2 3.41Å; C51-D74 PolarHBondContact SG-OD2 2.88Å
52	K	84.2	Confident	66.2	Low	124 Å²	124	77.1 Å²	77.1	54%	0.539	43%	0.425	S	S	.	.			trans	59.2	11.5	-177.2	-50.1	-55.7	-172.9	-166.9	0	115.5	C48 T49	C48-K52 WeakPolarHBondContact O-CA 3.29Å; C48-K52 WeakPolarHBondContact O-CD 3.4Å; C48-K52 PolarHBondContact O-N 3.06Å; T49-K52 WeakPolarHBondContact O-CE 3.41Å; T49-K52 PolarHBondContact O-NZ 3.16Å
53	C	80.2	Confident	67.6	Low	36 Å²	36	76.7 Å²	76.7	24%	0.243	42%	0.421	C	S	.	.			trans	-63.7	145	176	75.2	0	0	0	0	110.7	Q47 C48 C51 L55 V58	Q47-C53 VanDerWaalsContact CA-O 3.23Å; Q47-C53 WeakPolarHBondContact CA-O 3.41Å; C48-C53 PolarHBondContact N-O 3.11Å; C51-C53 PolarHBondContact O-N 2.81Å; C51-C53 PolarHBondContact SG-SG 3.19Å; C53-L55 PolarHBondContact O-N 3.4Å; C53-V58 HydrophobicContact CB-CG2 4.39Å
54	K	72.1	Confident	69.1	Low	107 Å²	107	77.2 Å²	77.2	47%	0.465	41%	0.41	S	S	.	.	B	Isolated β-bridge	trans	-70.5	118.1	174.6	-65.5	174.5	-175.2	173.4	0	109.7	T56 E57 V58	K54-T56 PolarHBondContact O-N 2.73Å; K54-E57 HydrophobicContact CB-CG 4.42Å; K54-E57 WeakPolarHBondContact CD-OE1 3.13Å; K54-E57 IonicContact NZ-OE1 3.24Å; K54-E57 PolarHBondContact NZ-OE1 2.93Å; K54-E57 PolarHBondContact O-N 3.26Å; K54-V58 WeakPolarHBondContact O-CG2 3.33Å
55	L	67.1	Low	70.6	Confident	18 Å²	18	74 Å²	74	9%	0.094	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-15	-178.7	-63.7	167.2	0	0	0	112.4	F46 C48 C53 E57 L62 F69 C71	F46-L55 VanDerWaalsContact O-CB 3.29Å; F46-L55 WeakPolarHBondContact O-CB 3.17Å; F46-L55 WeakPolarHBondContact O-CG 3.49Å; F46-L55 PolarHBondContact O-N 3.37Å; C48-L55 HydrophobicContact CB-CD2 4.48Å; C53-L55 PolarHBondContact O-N 3.4Å; L55-E57 VanDerWaalsContact C-N 3.3Å; L55-E57 PolarHBondContact O-N 2.86Å; L55-L62 HydrophobicContact CD1-CB 4.43Å; L55-L62 HydrophobicContact CD1-CD1 3.56Å; L55-L62 HydrophobicContact CD1-CG 3.92Å; L55-F69 HydrophobicContact CD1-CB 4.38Å; L55-C71 HydrophobicContact CD2-CB 3.6Å
56	T	64	Low	71.8	Confident	101 Å²	101	76.1 Å²	76.1	62%	0.62	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-27.1	173.2	51.6	0	0	0	0	113.2	K54	K54-T56 PolarHBondContact O-N 2.73Å
57	E	58.2	Low	72.3	Confident	137 Å²	137	79.5 Å²	79.5	64%	0.64	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-21.9	-172.8	-67.6	173.1	-164.7	0	0	112.8	K54 L55 G59	K54-E57 HydrophobicContact CB-CG 4.42Å; K54-E57 WeakPolarHBondContact CD-OE1 3.13Å; K54-E57 IonicContact NZ-OE1 3.24Å; K54-E57 PolarHBondContact NZ-OE1 2.93Å; K54-E57 PolarHBondContact O-N 3.26Å; L55-E57 VanDerWaalsContact C-N 3.3Å; L55-E57 PolarHBondContact O-N 2.86Å; E57-G59 PolarHBondContact O-N 3.05Å
58	V	53	Low	72.5	Confident	82 Å²	82	79.9 Å²	79.9	50%	0.497	43%	0.433	S	S	.	.	S	Bend	trans	-93.6	12	-167.4	-172.1	0	0	0	0	113.4	C53 K54	C53-V58 HydrophobicContact CB-CG2 4.39Å; K54-V58 WeakPolarHBondContact O-CG2 3.33Å
59	G	53.8	Low	72.5	Confident	44 Å²	44	82.5 Å²	82.5	45%	0.454	44%	0.444	S	S	.	.			trans	82.6	143.9	-174.1	0	0	0	0	0	111.5	E57 S61	E57-G59 PolarHBondContact O-N 3.05Å; G59-S61 PolarHBondContact O-N 3.29Å
60	S	54.4	Low	72.2	Confident	126 Å²	126	79.9 Å²	79.9	88%	0.881	43%	0.428	S	S	*	.	S	Bend	trans	-64.1	13.6	-152.1	-32.9	0	0	0	0	118	L62	S60-L62 PolarHBondContact O-N 3.19Å
61	S	65.1	Low	71.9	Confident	50 Å²	50	77.2 Å²	77.2	35%	0.35	41%	0.412	S	S	.	.			trans	-96.7	91.1	-176	-48.9	0	0	0	0	111.3	G59	G59-S61 PolarHBondContact O-N 3.29Å
62	L	65.6	Low	71.7	Confident	53 Å²	53	81 Å²	81	28%	0.277	42%	0.417	S	S	.	.			trans	-91.5	126.3	167.8	175.5	155.3	0	0	0	108.9	L34 F46 L55 S60 F69	L34-L62 HydrophobicContact CD1-CD2 4.27Å; F46-L62 HydrophobicContact CD1-CD1 3.86Å; L55-L62 HydrophobicContact CD1-CB 4.43Å; L55-L62 HydrophobicContact CD1-CD1 3.56Å; L55-L62 HydrophobicContact CD1-CG 3.92Å; S60-L62 PolarHBondContact O-N 3.19Å; L62-F69 HydrophobicContact CD1-CD1 3.93Å; L62-F69 HydrophobicContact CD1-CE1 4.47Å; L62-F69 HydrophobicContact CD2-CD1 3.7Å; L62-F69 HydrophobicContact CD2-CE1 4.07Å; L62-F69 HydrophobicContact CG-CD1 4.08Å
63	F	76.4	Confident	71.6	Confident	54 Å²	54	78.4 Å²	78.4	24%	0.237	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	128	176.5	-62	-91	0	0	0	109.5	L70 R72 Y75	F63-L70 PolarHBondContact N-O 3.22Å; F63-L70 PolarHBondContact O-N 2.86Å; F63-R72 HydrophobicContact CE2-CB 3.9Å; F63-R72 HydrophobicContact CE2-CG 4.17Å; F63-Y75 HydrophobicContact CB-CD2 3.43Å; F63-Y75 VanDerWaalsContact CB-CD2 3.43Å; F63-Y75 HydrophobicContact CB-CE2 4.08Å; F63-Y75 HydrophobicContact CB-CG 3.69Å; F63-Y75 AromaticContact CD1-CD1 3.79Å; F63-Y75 HydrophobicContact CD1-CD1 3.79Å; F63-Y75 AromaticContact CD1-CD2 3.95Å; F63-Y75 HydrophobicContact CD1-CD2 3.95Å; F63-Y75 AromaticContact CD1-CE1 3.93Å; F63-Y75 HydrophobicContact CD1-CE1 3.93Å; F63-Y75 HydrophobicContact CD1-CE2 4.07Å; F63-Y75 AromaticContact CD1-CG 3.8Å; F63-Y75 HydrophobicContact CD1-CG 3.8Å; F63-Y75 HydrophobicContact CD2-CD1 4.33Å; F63-Y75 AromaticContact CD2-CG 4Å; F63-Y75 HydrophobicContact CD2-CG 4Å; F63-Y75 HydrophobicContact CE1-CD1 4.03Å; F63-Y75 HydrophobicContact CE1-CE1 4.12Å; F63-Y75 HydrophobicContact CE1-CG 4.45Å; F63-Y75 AromaticContact CG-CD1 3.96Å; F63-Y75 HydrophobicContact CG-CD1 3.96Å; F63-Y75 AromaticContact CG-CD2 3.75Å; F63-Y75 HydrophobicContact CG-CD2 3.75Å; F63-Y75 HydrophobicContact CG-CE2 4.31Å; F63-Y75 AromaticContact CG-CG 3.54Å; F63-Y75 HydrophobicContact CG-CG 3.54Å; F63-Y75 HydrophobicContact CZ-CD1 4.41Å
64	F	75.9	Confident	71.8	Confident	114 Å²	114	77 Å²	77	50%	0.5	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	120	173.7	-175.6	-107.8	0	0	0	109.9	D67 M68 F69	F64-D67 HydrophobicContact CZ-CB 4.49Å; F64-M68 WeakPolarHBondContact CA-O 3.45Å; F64-M68 WeakPolarHBondContact CD2-O 3.23Å; F64-F69 HydrophobicContact CB-CD1 4.48Å; F64-F69 HydrophobicContact CB-CE1 4.46Å; F64-F69 AromaticContact CD2-CD1 3.78Å; F64-F69 HydrophobicContact CD2-CD1 3.78Å; F64-F69 HydrophobicContact CD2-CD2 4.48Å; F64-F69 AromaticContact CD2-CE1 3.61Å; F64-F69 HydrophobicContact CD2-CE1 3.61Å; F64-F69 HydrophobicContact CD2-CE2 4.33Å; F64-F69 HydrophobicContact CD2-CG 4.22Å; F64-F69 AromaticContact CD2-CZ 3.91Å; F64-F69 HydrophobicContact CD2-CZ 3.91Å; F64-F69 HydrophobicContact CE2-CE1 4.23Å; F64-F69 HydrophobicContact CE2-CE2 4.23Å; F64-F69 HydrophobicContact CE2-CZ 4.05Å; F64-F69 HydrophobicContact CG-CE1 4.32Å
65	K	78.1	Confident	72.5	Confident	77 Å²	77	74.7 Å²	74.7	34%	0.335	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	137	-179.7	-169.3	163.3	-179.9	178.1	0	110.9	D67 M68 Y75 F79	K65-D67 VanDerWaalsContact C-N 3.27Å; K65-D67 PolarHBondContact O-N 3.5Å; K65-M68 PolarHBondContact N-O 3.24Å; K65-M68 PolarHBondContact O-N 2.73Å; K65-M68 VanDerWaalsContact O-N 3.11Å; K65-Y75 HydrophobicContact CB-CE2 4.48Å; K65-Y75 HydrophobicContact CD-CE2 3.84Å; K65-F79 HydrophobicContact CB-CE2 4.27Å; K65-F79 HydrophobicContact CD-CB 4.35Å; K65-F79 HydrophobicContact CD-CD1 3.93Å; K65-F79 HydrophobicContact CD-CD2 3.87Å; K65-F79 HydrophobicContact CD-CE1 4.15Å; K65-F79 HydrophobicContact CD-CE2 4.09Å; K65-F79 HydrophobicContact CD-CG 3.77Å; K65-F79 HydrophobicContact CD-CZ 4.23Å; K65-F79 HydrophobicContact CG-CD2 4.47Å; K65-F79 HydrophobicContact CG-CE1 4.43Å; K65-F79 HydrophobicContact CG-CE2 4.21Å; K65-F79 HydrophobicContact CG-CZ 4.18Å
66	K	79.5	Confident	73.4	Confident	157 Å²	157	76 Å²	76	68%	0.683	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	44.9	-176.5	-60.7	-173.9	178.4	-176.8	0	112.6	M68 F79	K66-M68 WeakPolarHBondContact O-CG 3.36Å; K66-M68 PolarHBondContact O-N 3.41Å; K66-M68 VanDerWaalsContact O-N 3.14Å; K66-F79 HydrophobicContact CD-CE1 4.06Å; K66-F79 HydrophobicContact CD-CZ 3.98Å; K66-F79 HydrophobicContact CG-CZ 4.35Å
67	D	77.1	Confident	74.4	Confident	144 Å²	144	78 Å²	78	77%	0.77	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	21.5	-178.9	-51.6	-46.7	0	0	0	115.3	F64 K65	F64-D67 HydrophobicContact CZ-CB 4.49Å; K65-D67 VanDerWaalsContact C-N 3.27Å; K65-D67 PolarHBondContact O-N 3.5Å
68	M	79.4	Confident	75.7	Confident	73 Å²	73	75.9 Å²	75.9	36%	0.36	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	138.7	177.7	-60.7	-178.4	-176.9	0	0	111.3	T49 F64 K65 K66 L70	T49-M68 HydrophobicContact CG2-CB 4.34Å; T49-M68 HydrophobicContact CG2-CG 4.08Å; T49-M68 HydrophobicContact CG2-SD 4.34Å; F64-M68 WeakPolarHBondContact CA-O 3.45Å; F64-M68 WeakPolarHBondContact CD2-O 3.23Å; K65-M68 PolarHBondContact N-O 3.24Å; K65-M68 PolarHBondContact O-N 2.73Å; K65-M68 VanDerWaalsContact O-N 3.11Å; K66-M68 WeakPolarHBondContact O-CG 3.36Å; K66-M68 PolarHBondContact O-N 3.41Å; K66-M68 VanDerWaalsContact O-N 3.14Å; M68-L70 HydrophobicContact CB-CD2 4.11Å; M68-L70 HydrophobicContact CB-CG 4.19Å
69	F	80.3	Confident	77.2	Confident	56 Å²	56	74 Å²	74	25%	0.246	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	123.4	168.8	-69.3	-72.3	0	0	0	108.8	L34 C48 T49 L55 L62 F64	L34-F69 HydrophobicContact CD1-CE1 3.76Å; L34-F69 HydrophobicContact CD1-CZ 4.38Å; C48-F69 CarbonylContact C-O 3.47Å; C48-F69 WeakPolarHBondContact CA-O 3.48Å; T49-F69 PolarHBondContact N-O 3.27Å; T49-F69 PolarHBondContact OG1-N 3.46Å; T49-F69 VanDerWaalsContact OG1-N 3.16Å; T49-F69 PolarHBondContact OG1-O 2.81Å; L55-F69 HydrophobicContact CD1-CB 4.38Å; L62-F69 HydrophobicContact CD1-CD1 3.93Å; L62-F69 HydrophobicContact CD1-CE1 4.47Å; L62-F69 HydrophobicContact CD2-CD1 3.7Å; L62-F69 HydrophobicContact CD2-CE1 4.07Å; L62-F69 HydrophobicContact CG-CD1 4.08Å; F64-F69 HydrophobicContact CB-CD1 4.48Å; F64-F69 HydrophobicContact CB-CE1 4.46Å; F64-F69 AromaticContact CD2-CD1 3.78Å; F64-F69 HydrophobicContact CD2-CD1 3.78Å; F64-F69 HydrophobicContact CD2-CD2 4.48Å; F64-F69 AromaticContact CD2-CE1 3.61Å; F64-F69 HydrophobicContact CD2-CE1 3.61Å; F64-F69 HydrophobicContact CD2-CE2 4.33Å; F64-F69 HydrophobicContact CD2-CG 4.22Å; F64-F69 AromaticContact CD2-CZ 3.91Å; F64-F69 HydrophobicContact CD2-CZ 3.91Å; F64-F69 HydrophobicContact CE2-CE1 4.23Å; F64-F69 HydrophobicContact CE2-CE2 4.23Å; F64-F69 HydrophobicContact CE2-CZ 4.05Å; F64-F69 HydrophobicContact CG-CE1 4.32Å
70	L	78.6	Confident	78.8	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	138.9	-172.6	-57.9	171.4	0	0	0	110.7	V50 F63 M68 D74 M78 F79	V50-L70 HydrophobicContact CB-CD2 4.48Å; V50-L70 HydrophobicContact CG2-CD2 3.69Å; F63-L70 PolarHBondContact N-O 3.22Å; F63-L70 PolarHBondContact O-N 2.86Å; M68-L70 HydrophobicContact CB-CD2 4.11Å; M68-L70 HydrophobicContact CB-CG 4.19Å; L70-D74 HydrophobicContact CB-CB 4.48Å; L70-D74 HydrophobicContact CD2-CB 4.38Å; L70-M78 HydrophobicContact CD1-SD 4.39Å; L70-M78 HydrophobicContact CD2-SD 4.39Å; L70-F79 HydrophobicContact CD1-CD2 3.99Å; L70-F79 HydrophobicContact CD1-CE2 3.49Å; L70-F79 VanDerWaalsContact CD1-CE2 3.49Å
71	C	80.5	Confident	80.3	Confident	5 Å²	5	71.2 Å²	71.2	3%	0.034	36%	0.355	C	S	.	.			trans	-70.5	162.5	166.9	71.4	0	0	0	0	109.8	C48 L55 S73 D74 Y75	C48-C71 HydrophobicContact CB-CB 4.09Å; C48-C71 PolarHBondContact SG-N 3.02Å; C48-C71 VanDerWaalsContact SG-N 3.4Å; L55-C71 HydrophobicContact CD2-CB 3.6Å; C71-S73 PolarHBondContact O-N 3.32Å; C71-D74 PolarHBondContact O-N 2.79Å; C71-D74 PolarHBondContact SG-N 3.41Å; C71-D74 VanDerWaalsContact SG-N 3.42Å; C71-Y75 WeakPolarHBondContact O-CB 3.31Å; C71-Y75 PolarHBondContact O-N 3.47Å
72	R	81.7	Confident	81.5	Confident	142 Å²	142	75.5 Å²	75.5	54%	0.536	37%	0.368	S	S	.	.	H	α-helix	trans	-49.6	-45.8	177.4	-176.4	-179.6	174.2	87.1	2.3	112.6	F63 Y75 L76	F63-R72 HydrophobicContact CE2-CB 3.9Å; F63-R72 HydrophobicContact CE2-CG 4.17Å; R72-Y75 PolarHBondContact O-N 2.84Å; R72-L76 HydrophobicContact CG-CD1 3.99Å; R72-L76 HydrophobicContact CG-CG 4.44Å; R72-L76 WeakPolarHBondContact O-CB 3.44Å; R72-L76 VanDerWaalsContact O-CG 3.29Å; R72-L76 WeakPolarHBondContact O-CG 3.39Å; R72-L76 PolarHBondContact O-N 3.15Å
73	S	82.9	Confident	82.8	Confident	71 Å²	71	74.4 Å²	74.4	50%	0.497	37%	0.369	S	S	.	.	H	α-helix	trans	-62.5	-46.5	-178.7	-52.8	0	0	0	0	112.2	C71 L76 R77	C71-S73 PolarHBondContact O-N 3.32Å; S73-L76 PolarHBondContact O-N 3.23Å; S73-R77 VanDerWaalsContact O-CB 3.22Å; S73-R77 WeakPolarHBondContact O-CB 3.34Å; S73-R77 PolarHBondContact O-N 2.65Å
74	D	84.1	Confident	83.7	Confident	7 Å²	7	78 Å²	78	4%	0.037	39%	0.387	C	S	.	.	H	α-helix	trans	-72.3	-36.2	179.8	-74.6	-29.8	0	0	0	112.5	C48 V50 C51 L70 C71 R77 M78	C48-D74 PolarHBondContact SG-OD2 3.05Å; V50-D74 HydrophobicContact CB-CB 4.33Å; V50-D74 WeakPolarHBondContact CB-OD2 3.47Å; C51-D74 VanDerWaalsContact CB-OD2 3.27Å; C51-D74 WeakPolarHBondContact CB-OD2 3.22Å; C51-D74 PolarHBondContact N-OD2 3.41Å; C51-D74 PolarHBondContact SG-OD2 2.88Å; L70-D74 HydrophobicContact CB-CB 4.48Å; L70-D74 HydrophobicContact CD2-CB 4.38Å; C71-D74 PolarHBondContact O-N 2.79Å; C71-D74 PolarHBondContact SG-N 3.41Å; C71-D74 VanDerWaalsContact SG-N 3.42Å; D74-R77 PolarHBondContact O-N 3.3Å; D74-R77 IonicContact OD1-CZ 2.79Å; D74-R77 IonicContact OD1-NE 2.67Å; D74-R77 PolarHBondContact OD1-NE 2.93Å; D74-R77 IonicContact OD1-NH2 2.77Å; D74-R77 PolarHBondContact OD1-NH2 3.44Å; D74-M78 WeakPolarHBondContact O-CB 3.27Å; D74-M78 VanDerWaalsContact O-CG 3.31Å; D74-M78 WeakPolarHBondContact O-CG 3.15Å; D74-M78 PolarHBondContact O-N 3.33Å
75	Y	86.7	Confident	84.7	Confident	58 Å²	58	72.6 Å²	72.6	23%	0.227	36%	0.363	C	S	.	.	H	α-helix	trans	-60.3	-49	172	179.4	-94.7	0	0	0	111.4	F63 K65 C71 R72 M78 F79 G80	F63-Y75 HydrophobicContact CB-CD2 3.43Å; F63-Y75 VanDerWaalsContact CB-CD2 3.43Å; F63-Y75 HydrophobicContact CB-CE2 4.08Å; F63-Y75 HydrophobicContact CB-CG 3.69Å; F63-Y75 AromaticContact CD1-CD1 3.79Å; F63-Y75 HydrophobicContact CD1-CD1 3.79Å; F63-Y75 AromaticContact CD1-CD2 3.95Å; F63-Y75 HydrophobicContact CD1-CD2 3.95Å; F63-Y75 AromaticContact CD1-CE1 3.93Å; F63-Y75 HydrophobicContact CD1-CE1 3.93Å; F63-Y75 HydrophobicContact CD1-CE2 4.07Å; F63-Y75 AromaticContact CD1-CG 3.8Å; F63-Y75 HydrophobicContact CD1-CG 3.8Å; F63-Y75 HydrophobicContact CD2-CD1 4.33Å; F63-Y75 AromaticContact CD2-CG 4Å; F63-Y75 HydrophobicContact CD2-CG 4Å; F63-Y75 HydrophobicContact CE1-CD1 4.03Å; F63-Y75 HydrophobicContact CE1-CE1 4.12Å; F63-Y75 HydrophobicContact CE1-CG 4.45Å; F63-Y75 AromaticContact CG-CD1 3.96Å; F63-Y75 HydrophobicContact CG-CD1 3.96Å; F63-Y75 AromaticContact CG-CD2 3.75Å; F63-Y75 HydrophobicContact CG-CD2 3.75Å; F63-Y75 HydrophobicContact CG-CE2 4.31Å; F63-Y75 AromaticContact CG-CG 3.54Å; F63-Y75 HydrophobicContact CG-CG 3.54Å; F63-Y75 HydrophobicContact CZ-CD1 4.41Å; K65-Y75 HydrophobicContact CB-CE2 4.48Å; K65-Y75 HydrophobicContact CD-CE2 3.84Å; C71-Y75 WeakPolarHBondContact O-CB 3.31Å; C71-Y75 PolarHBondContact O-N 3.47Å; R72-Y75 PolarHBondContact O-N 2.84Å; Y75-M78 PolarHBondContact O-N 3.06Å; Y75-F79 HydrophobicContact CD2-CB 4.39Å; Y75-F79 AromaticContact CD2-CD2 3.91Å; Y75-F79 HydrophobicContact CD2-CD2 3.91Å; Y75-F79 HydrophobicContact CE2-CB 4.1Å; Y75-F79 HydrophobicContact CE2-CD2 4.13Å; Y75-F79 HydrophobicContact CE2-CG 4.44Å; Y75-F79 WeakPolarHBondContact O-CA 3.29Å; Y75-F79 WeakPolarHBondContact O-CB 3.41Å; Y75-F79 PolarHBondContact O-N 3.45Å; Y75-G80 PolarHBondContact O-N 3.42Å
76	L	86.1	Confident	85.5	Confident	44 Å²	44	70.8 Å²	70.8	23%	0.23	36%	0.362	C	S	.	.	H	α-helix	trans	-64.6	-40.8	177.6	-71.8	175.4	0	0	0	111.7	R72 S73 M78 G80 A94 C95	R72-L76 HydrophobicContact CG-CD1 3.99Å; R72-L76 HydrophobicContact CG-CG 4.44Å; R72-L76 WeakPolarHBondContact O-CB 3.44Å; R72-L76 VanDerWaalsContact O-CG 3.29Å; R72-L76 WeakPolarHBondContact O-CG 3.39Å; R72-L76 PolarHBondContact O-N 3.15Å; S73-L76 PolarHBondContact O-N 3.23Å; L76-M78 VanDerWaalsContact C-N 3.35Å; L76-M78 PolarHBondContact O-N 2.91Å; L76-G80 WeakPolarHBondContact O-CA 3.38Å; L76-G80 PolarHBondContact O-N 3.17Å; L76-A94 HydrophobicContact CB-CB 4.36Å; L76-C95 HydrophobicContact CB-CB 4.1Å
77	R	86	Confident	86.1	Confident	143 Å²	143	65.2 Å²	65.2	54%	0.54	35%	0.346	S	S	.	.	H	α-helix	trans	-62.6	-39.8	177.8	-176.2	166.4	62.7	140.1	-1.3	112.8	S73 D74	S73-R77 VanDerWaalsContact O-CB 3.22Å; S73-R77 WeakPolarHBondContact O-CB 3.34Å; S73-R77 PolarHBondContact O-N 2.65Å; D74-R77 PolarHBondContact O-N 3.3Å; D74-R77 IonicContact OD1-CZ 2.79Å; D74-R77 IonicContact OD1-NE 2.67Å; D74-R77 PolarHBondContact OD1-NE 2.93Å; D74-R77 IonicContact OD1-NH2 2.77Å; D74-R77 PolarHBondContact OD1-NH2 3.44Å
78	M	84.2	Confident	87	Confident	93 Å²	93	60.8 Å²	60.8	46%	0.458	33%	0.325	S	S	.	.	H	α-helix	trans	-90.4	-33.9	-176.5	-67.4	-176	70.8	0	0	114.2	V50 L70 D74 Y75 L76	V50-M78 HydrophobicContact CG2-SD 3.89Å; L70-M78 HydrophobicContact CD1-SD 4.39Å; L70-M78 HydrophobicContact CD2-SD 4.39Å; D74-M78 WeakPolarHBondContact O-CB 3.27Å; D74-M78 VanDerWaalsContact O-CG 3.31Å; D74-M78 WeakPolarHBondContact O-CG 3.15Å; D74-M78 PolarHBondContact O-N 3.33Å; Y75-M78 PolarHBondContact O-N 3.06Å; L76-M78 VanDerWaalsContact C-N 3.35Å; L76-M78 PolarHBondContact O-N 2.91Å
79	F	86	Confident	87.7	Confident	44 Å²	44	59.4 Å²	59.4	19%	0.193	33%	0.329	C	S	.	.	H	α-helix	trans	-132.9	-2	-168.6	-56.7	-67.5	0	0	0	114	K65 K66 L70 Y75	K65-F79 HydrophobicContact CB-CE2 4.27Å; K65-F79 HydrophobicContact CD-CB 4.35Å; K65-F79 HydrophobicContact CD-CD1 3.93Å; K65-F79 HydrophobicContact CD-CD2 3.87Å; K65-F79 HydrophobicContact CD-CE1 4.15Å; K65-F79 HydrophobicContact CD-CE2 4.09Å; K65-F79 HydrophobicContact CD-CG 3.77Å; K65-F79 HydrophobicContact CD-CZ 4.23Å; K65-F79 HydrophobicContact CG-CD2 4.47Å; K65-F79 HydrophobicContact CG-CE1 4.43Å; K65-F79 HydrophobicContact CG-CE2 4.21Å; K65-F79 HydrophobicContact CG-CZ 4.18Å; K66-F79 HydrophobicContact CD-CE1 4.06Å; K66-F79 HydrophobicContact CD-CZ 3.98Å; K66-F79 HydrophobicContact CG-CZ 4.35Å; L70-F79 HydrophobicContact CD1-CD2 3.99Å; L70-F79 HydrophobicContact CD1-CE2 3.49Å; L70-F79 VanDerWaalsContact CD1-CE2 3.49Å; Y75-F79 HydrophobicContact CD2-CB 4.39Å; Y75-F79 AromaticContact CD2-CD2 3.91Å; Y75-F79 HydrophobicContact CD2-CD2 3.91Å; Y75-F79 HydrophobicContact CE2-CB 4.1Å; Y75-F79 HydrophobicContact CE2-CD2 4.13Å; Y75-F79 HydrophobicContact CE2-CG 4.44Å; Y75-F79 WeakPolarHBondContact O-CA 3.29Å; Y75-F79 WeakPolarHBondContact O-CB 3.41Å; Y75-F79 PolarHBondContact O-N 3.45Å
80	G	86	Confident	88.5	Confident	18 Å²	18	63.6 Å²	63.6	19%	0.186	35%	0.348	C	S	.	.	S	Bend	trans	-68.2	149	172.5	0	0	0	0	0	110.9	Y75 L76 K82	Y75-G80 PolarHBondContact O-N 3.42Å; L76-G80 WeakPolarHBondContact O-CA 3.38Å; L76-G80 PolarHBondContact O-N 3.17Å; G80-K82 PolarHBondContact O-N 3.21Å
81	A	86.9	Confident	89.2	Confident	93 Å²	93	68 Å²	68	77%	0.769	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-65.8	121.6	174.1	0	0	0	0	0	109.1	A94	A81-A94 VanDerWaalsContact O-CB 3.27Å; A81-A94 WeakPolarHBondContact O-CB 3.17Å
82	K	89.3	Confident	89.9	Confident	140 Å²	140	68 Å²	68	61%	0.609	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-72	145.1	173.8	-62.7	-179.4	172	-173.6	0	110	G80 D91 I92	G80-K82 PolarHBondContact O-N 3.21Å; K82-D91 HydrophobicContact CD-CB 4.35Å; K82-D91 VanDerWaalsContact CD-OD2 3.32Å; K82-D91 WeakPolarHBondContact CD-OD2 3.38Å; K82-D91 IonicContact NZ-OD2 3.35Å; K82-D91 PolarHBondContact NZ-OD2 2.84Å; K82-I92 WeakPolarHBondContact CA-O 3.22Å
83	G	92.5	Very high	90.4	Very high	30 Å²	30	63.7 Å²	63.7	31%	0.309	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	176.3	164.4	0	0	0	0	0	111	D91 I92	G83-D91 CarbonylContact O-C 3.58Å; G83-D91 WeakPolarHBondContact O-CA 3.27Å; G83-I92 PolarHBondContact N-O 2.95Å; G83-I92 PolarHBondContact O-N 3.08Å
84	E	96	Very high	90.7	Very high	130 Å²	130	62 Å²	62	61%	0.607	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.7	133.8	169.8	-173.8	-175.7	155	0	0	108.2	A86	E84-A86 PolarHBondContact O-N 2.78Å
85	C	96.6	Very high	90.8	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-78.8	118.1	178	175.9	0	0	0	0	110.7	A87 C88 G89 K90 I92 V105 H107	C85-A87 PolarHBondContact O-N 3.34Å; C85-A87 VanDerWaalsContact O-N 3.1Å; C85-C88 VanDerWaalsContact CB-SG 3.56Å; C85-C88 PolarHBondContact O-N 3.45Å; C85-C88 VanDerWaalsContact SG-SG 3.65Å; C85-G89 WeakPolarHBondContact O-CA 3.45Å; C85-G89 PolarHBondContact O-N 2.94Å; C85-K90 PolarHBondContact N-O 3.47Å; C85-I92 HydrophobicContact CB-CD1 3.89Å; C85-I92 HydrophobicContact CB-CG1 3.97Å; C85-V105 WeakPolarHBondContact CA-O 3.27Å; C85-H107 WeakPolarHBondContact CB-CE1 3.39Å; C85-H107 WeakPolarHBondContact CB-ND1 3.32Å; C85-H107 PolarHBondContact SG-N 3Å; C85-H107 PolarHBondContact SG-ND1 2.95Å; C85-H107 VanDerWaalsContact SG-ND1 3.4Å
86	A	94.4	Very high	90.9	Very high	38 Å²	38	65.7 Å²	65.7	31%	0.314	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-19.5	-178	0	0	0	0	0	114.4	E84 N104 V105 Y106 N133	E84-A86 PolarHBondContact O-N 2.78Å; A86-N104 HydrophobicContact CB-CB 3.85Å; A86-V105 PolarHBondContact N-O 3.18Å; A86-Y106 HydrophobicContact CB-CD1 4.22Å; A86-Y106 HydrophobicContact CB-CE1 3.6Å; A86-N133 HydrophobicContact CB-CB 4.41Å
87	A	93.8	Very high	91.2	Very high	41 Å²	41	69.9 Å²	69.9	34%	0.339	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-33.5	177.7	0	0	0	0	0	114.5	C85 Y106 C110	C85-A87 PolarHBondContact O-N 3.34Å; C85-A87 VanDerWaalsContact O-N 3.1Å; A87-Y106 HydrophobicContact CB-CD1 3.75Å; A87-Y106 HydrophobicContact CB-CE1 4.08Å; A87-C110 HydrophobicContact CB-CB 4.02Å
88	C	94.4	Very high	91.6	Very high	51 Å²	51	65.2 Å²	65.2	35%	0.345	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-7.6	-173.2	74.8	0	0	0	0	114	C85 K90 H107	C85-C88 VanDerWaalsContact CB-SG 3.56Å; C85-C88 PolarHBondContact O-N 3.45Å; C85-C88 VanDerWaalsContact SG-SG 3.65Å; C88-K90 PolarHBondContact O-N 3.4Å; C88-H107 VanDerWaalsContact SG-CE1 3.56Å; C88-H107 PolarHBondContact SG-ND1 2.8Å; C88-H107 VanDerWaalsContact SG-ND1 3.39Å
89	G	94.6	Very high	92	Very high	43 Å²	43	62.7 Å²	62.7	44%	0.443	37%	0.373	S	S	.	.			trans	67.6	7	-178.6	0	0	0	0	0	114.8	C85	C85-G89 WeakPolarHBondContact O-CA 3.45Å; C85-G89 PolarHBondContact O-N 2.94Å
90	K	96.4	Very high	92.4	Very high	145 Å²	145	69.2 Å²	69.2	63%	0.63	40%	0.397	S	S	*	.			trans	-87.9	149.3	-179.5	-60.8	177.7	-176.8	174.8	0	111.1	C85 C88	C85-K90 PolarHBondContact N-O 3.47Å; C88-K90 PolarHBondContact O-N 3.4Å
91	D	95	Very high	92.5	Very high	92 Å²	92	68.4 Å²	68.4	49%	0.492	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.9	137.9	171.5	-79.4	2.7	0	0	0	111.5	K82 G83 H107	K82-D91 HydrophobicContact CD-CB 4.35Å; K82-D91 VanDerWaalsContact CD-OD2 3.32Å; K82-D91 WeakPolarHBondContact CD-OD2 3.38Å; K82-D91 IonicContact NZ-OD2 3.35Å; K82-D91 PolarHBondContact NZ-OD2 2.84Å; G83-D91 CarbonylContact O-C 3.58Å; G83-D91 WeakPolarHBondContact O-CA 3.27Å; D91-H107 PolarHBondContact O-NE2 3.28Å
92	I	95.1	Very high	92.5	Very high	4 Å²	4	67.4 Å²	67.4	2%	0.021	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	116.3	168.7	-53	177.6	0	0	0	108.3	K82 G83 C85 E96 V98 V105	K82-I92 WeakPolarHBondContact CA-O 3.22Å; G83-I92 PolarHBondContact N-O 2.95Å; G83-I92 PolarHBondContact O-N 3.08Å; C85-I92 HydrophobicContact CB-CD1 3.89Å; C85-I92 HydrophobicContact CB-CG1 3.97Å; I92-E96 HydrophobicContact CG2-CB 4.21Å; I92-V98 HydrophobicContact CD1-CG1 4.03Å; I92-V98 HydrophobicContact CG2-CG1 3.4Å; I92-V105 HydrophobicContact CD1-CB 4.15Å; I92-V105 HydrophobicContact CD1-CG1 3.57Å
93	P	91.5	Very high	92.5	Very high	53 Å²	53	70.7 Å²	70.7	34%	0.344	40%	0.402	S	S	.	.			trans	-55.6	140.1	170.7	-22.1	32	0	0	0	112.4	C95 E96	P93-C95 PolarHBondContact O-N 3.39Å; P93-C95 VanDerWaalsContact O-N 3.08Å; P93-E96 HydrophobicContact CB-CB 4.36Å; P93-E96 VanDerWaalsContact CD-OE2 3.27Å; P93-E96 WeakPolarHBondContact CD-OE2 3.38Å; P93-E96 WeakPolarHBondContact O-CB 3.36Å; P93-E96 PolarHBondContact O-N 3.1Å
94	A	89.1	Confident	92.4	Very high	35 Å²	35	70.8 Å²	70.8	29%	0.289	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-16	-177.8	0	0	0	0	0	114.7	L76 A81	L76-A94 HydrophobicContact CB-CB 4.36Å; A81-A94 VanDerWaalsContact O-CB 3.27Å; A81-A94 WeakPolarHBondContact O-CB 3.17Å
95	C	85.5	Confident	92.3	Very high	62 Å²	62	65.6 Å²	65.6	42%	0.419	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-6.9	176.5	61.3	0	0	0	0	113.3	L76 P93	L76-C95 HydrophobicContact CB-CB 4.1Å; P93-C95 PolarHBondContact O-N 3.39Å; P93-C95 VanDerWaalsContact O-N 3.08Å
96	E	90.2	Very high	92.2	Very high	81 Å²	81	65.6 Å²	65.6	38%	0.379	37%	0.372	S	S	.	.	S	Bend	trans	-83.2	146.1	-178.3	-159.2	-179.3	137.9	0	0	110.9	I92 P93 H107	I92-E96 HydrophobicContact CG2-CB 4.21Å; P93-E96 HydrophobicContact CB-CB 4.36Å; P93-E96 VanDerWaalsContact CD-OE2 3.27Å; P93-E96 WeakPolarHBondContact CD-OE2 3.38Å; P93-E96 WeakPolarHBondContact O-CB 3.36Å; P93-E96 PolarHBondContact O-N 3.1Å; E96-H107 IonicContact OE1-CD2 2.65Å; E96-H107 PolarHBondContact OE1-CD2 3.28Å
97	L	91.9	Very high	92.3	Very high	132 Å²	132	65 Å²	65	69%	0.691	36%	0.363	S	S	*	.			trans	-71.9	144.7	168.2	-68	177.6	0	0	0	109.7	L108	L97-L108 HydrophobicContact CB-CD1 3.9Å; L97-L108 HydrophobicContact CB-CD2 4.35Å; L97-L108 HydrophobicContact CB-CG 4.31Å
98	V	93.7	Very high	92.2	Very high	44 Å²	44	67 Å²	67	27%	0.267	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	151.8	-175.3	-64.4	0	0	0	0	111.1	I92 R100 V105 Y106	I92-V98 HydrophobicContact CD1-CG1 4.03Å; I92-V98 HydrophobicContact CG2-CG1 3.4Å; V98-R100 HydrophobicContact CG2-CG 4.37Å; V98-V105 HydrophobicContact CB-CG1 3.53Å; V98-V105 HydrophobicContact CG1-CG1 3.75Å; V98-V105 HydrophobicContact CG2-CG1 3.7Å; V98-Y106 WeakPolarHBondContact CA-O 3.41Å
99	M	94	Very high	92.2	Very high	40 Å²	40	72 Å²	72	20%	0.197	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	140.1	164.3	-65.3	-59.1	-77.3	0	0	109.5	V105 Y106 L108 F111	M99-V105 CarbonylContact O-C 3.53Å; M99-V105 WeakPolarHBondContact O-CA 3.45Å; M99-Y106 PolarHBondContact N-O 2.95Å; M99-Y106 PolarHBondContact O-N 3.07Å; M99-L108 HydrophobicContact CG-CD2 3.73Å; M99-L108 HydrophobicContact SD-CD2 4.04Å; M99-F111 HydrophobicContact CB-CB 3.77Å; M99-F111 HydrophobicContact CB-CD1 4.18Å; M99-F111 HydrophobicContact CB-CD2 3.4Å; M99-F111 HydrophobicContact CB-CE2 4.01Å; M99-F111 HydrophobicContact CB-CG 3.5Å; M99-F111 HydrophobicContact CE-CD1 3.65Å; M99-F111 HydrophobicContact CE-CE1 3.55Å; M99-F111 HydrophobicContact CE-CG 4.2Å; M99-F111 HydrophobicContact CE-CZ 4.04Å; M99-F111 HydrophobicContact CG-CB 3.59Å; M99-F111 HydrophobicContact CG-CD1 3.87Å; M99-F111 HydrophobicContact CG-CD2 4Å; M99-F111 HydrophobicContact CG-CG 3.53Å
100	R	92.5	Very high	92.2	Very high	181 Å²	181	71.8 Å²	71.8	68%	0.683	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.4	129.3	175.7	-68.6	-177.9	176.8	-92.6	-1.4	109.5	V98 N104 V105	V98-R100 HydrophobicContact CG2-CG 4.37Å; R100-N104 WeakPolarHBondContact CA-O 3.31Å; R100-V105 HydrophobicContact CG-CG2 4.38Å
101	A	89.5	Confident	92.1	Very high	2 Å²	2	65.5 Å²	65.5	2%	0.017	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	114.3	171.6	0	0	0	0	0	109.4	K103 N104 Y106 F111 F126 L128	A101-K103 PolarHBondContact O-N 2.8Å; A101-N104 PolarHBondContact N-O 3.06Å; A101-N104 VanDerWaalsContact N-O 3.07Å; A101-N104 PolarHBondContact O-N 3.24Å; A101-Y106 HydrophobicContact CB-CE2 3.96Å; A101-F111 HydrophobicContact CB-CE2 4.18Å; A101-F126 HydrophobicContact CB-CE2 3.81Å; A101-F126 HydrophobicContact CB-CZ 4.08Å; A101-L128 HydrophobicContact CB-CD2 4.37Å
102	G	86.4	Confident	92	Very high	72 Å²	72	61.6 Å²	61.6	74%	0.742	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	-122.6	-171	0	0	0	0	0	111.7
103	K	88.9	Confident	92.1	Very high	208 Å²	208	61.5 Å²	61.5	90%	0.904	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-4.7	177.1	-64.1	-179.2	-178.6	178	0	113.2	A101	A101-K103 PolarHBondContact O-N 2.8Å
104	N	91.6	Very high	92.1	Very high	32 Å²	32	61.3 Å²	61.3	17%	0.171	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	150.1	-171.8	-61.9	-19.1	0	0	0	111.1	A86 R100 A101 Y106 N133	A86-N104 HydrophobicContact CB-CB 3.85Å; R100-N104 WeakPolarHBondContact CA-O 3.31Å; A101-N104 PolarHBondContact N-O 3.06Å; A101-N104 VanDerWaalsContact N-O 3.07Å; A101-N104 PolarHBondContact O-N 3.24Å; N104-Y106 HydrophobicContact CB-CD2 4.48Å; N104-Y106 HydrophobicContact CB-CE2 3.49Å; N104-Y106 VanDerWaalsContact CB-CE2 3.49Å; N104-Y106 VanDerWaalsContact CB-OH 3.31Å; N104-Y106 WeakPolarHBondContact CB-OH 3.36Å; N104-Y106 PolarHBondContact ND2-OH 2.85Å; N104-N133 PolarHBondContact ND2-OD1 3.3Å
105	V	93.6	Very high	92.3	Very high	22 Å²	22	62.6 Å²	62.6	13%	0.133	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	143	176.3	-169.3	0	0	0	0	108.2	C85 A86 I92 V98 M99 R100	C85-V105 WeakPolarHBondContact CA-O 3.27Å; A86-V105 PolarHBondContact N-O 3.18Å; I92-V105 HydrophobicContact CD1-CB 4.15Å; I92-V105 HydrophobicContact CD1-CG1 3.57Å; V98-V105 HydrophobicContact CB-CG1 3.53Å; V98-V105 HydrophobicContact CG1-CG1 3.75Å; V98-V105 HydrophobicContact CG2-CG1 3.7Å; M99-V105 CarbonylContact O-C 3.53Å; M99-V105 WeakPolarHBondContact O-CA 3.45Å; R100-V105 HydrophobicContact CG-CG2 4.38Å
106	Y	94.5	Very high	92.8	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	145	-178.2	-54.5	-93.9	0	0	0	109.8	A86 A87 V98 M99 A101 N104 F111 L128 I135	A86-Y106 HydrophobicContact CB-CD1 4.22Å; A86-Y106 HydrophobicContact CB-CE1 3.6Å; A87-Y106 HydrophobicContact CB-CD1 3.75Å; A87-Y106 HydrophobicContact CB-CE1 4.08Å; V98-Y106 WeakPolarHBondContact CA-O 3.41Å; M99-Y106 PolarHBondContact N-O 2.95Å; M99-Y106 PolarHBondContact O-N 3.07Å; A101-Y106 HydrophobicContact CB-CE2 3.96Å; N104-Y106 HydrophobicContact CB-CD2 4.48Å; N104-Y106 HydrophobicContact CB-CE2 3.49Å; N104-Y106 VanDerWaalsContact CB-CE2 3.49Å; N104-Y106 VanDerWaalsContact CB-OH 3.31Å; N104-Y106 WeakPolarHBondContact CB-OH 3.36Å; N104-Y106 PolarHBondContact ND2-OH 2.85Å; Y106-F111 HydrophobicContact CD2-CD2 4.06Å; Y106-F111 HydrophobicContact CD2-CE2 4.42Å; Y106-F111 HydrophobicContact CG-CD2 4.18Å; Y106-L128 VanDerWaalsContact OH-CD1 3.26Å; Y106-L128 WeakPolarHBondContact OH-CD1 3.49Å; Y106-I135 HydrophobicContact CD1-CD1 3.8Å; Y106-I135 HydrophobicContact CD2-CD1 4.1Å; Y106-I135 HydrophobicContact CE1-CD1 3.64Å; Y106-I135 HydrophobicContact CE1-CG1 4.21Å; Y106-I135 HydrophobicContact CE2-CD1 3.97Å; Y106-I135 HydrophobicContact CG-CD1 4.03Å
107	H	95.5	Very high	92.9	Very high	26 Å²	26	65.6 Å²	65.6	12%	0.12	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	148.8	162.1	-61.2	105.5	0	0	0	109.2	C85 C88 D91 E96 E109 C110 F111	C85-H107 WeakPolarHBondContact CB-CE1 3.39Å; C85-H107 WeakPolarHBondContact CB-ND1 3.32Å; C85-H107 PolarHBondContact SG-N 3Å; C85-H107 PolarHBondContact SG-ND1 2.95Å; C85-H107 VanDerWaalsContact SG-ND1 3.4Å; C88-H107 VanDerWaalsContact SG-CE1 3.56Å; C88-H107 PolarHBondContact SG-ND1 2.8Å; C88-H107 VanDerWaalsContact SG-ND1 3.39Å; D91-H107 PolarHBondContact O-NE2 3.28Å; E96-H107 IonicContact OE1-CD2 2.65Å; E96-H107 PolarHBondContact OE1-CD2 3.28Å; H107-E109 PolarHBondContact O-N 3.39Å; H107-C110 HydrophobicContact CB-CB 4.03Å; H107-C110 PolarHBondContact O-N 3.26Å; H107-F111 PolarHBondContact O-N 3.22Å; H107-F111 VanDerWaalsContact O-N 3.11Å
108	L	93.4	Very high	93	Very high	83 Å²	83	61.9 Å²	61.9	44%	0.435	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-55.6	-38.6	176.4	-60.6	-172.7	0	0	0	111.6	L97 M99 F111	L97-L108 HydrophobicContact CB-CD1 3.9Å; L97-L108 HydrophobicContact CB-CD2 4.35Å; L97-L108 HydrophobicContact CB-CG 4.31Å; M99-L108 HydrophobicContact CG-CD2 3.73Å; M99-L108 HydrophobicContact SD-CD2 4.04Å; L108-F111 PolarHBondContact O-N 3Å
109	E	93.3	Very high	93	Very high	154 Å²	154	67.9 Å²	67.9	72%	0.72	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-74.5	-25.4	179.6	-60.7	-177.5	171.8	0	0	113.7	H107	H107-E109 PolarHBondContact O-N 3.39Å
110	C	94	Very high	92.9	Very high	40 Å²	40	67.5 Å²	67.5	27%	0.27	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-87.1	-8.2	177.6	-64.8	0	0	0	0	112.8	A87 H107 G112	A87-C110 HydrophobicContact CB-CB 4.02Å; H107-C110 HydrophobicContact CB-CB 4.03Å; H107-C110 PolarHBondContact O-N 3.26Å; C110-G112 PolarHBondContact O-N 3.04Å; C110-G112 VanDerWaalsContact O-N 3.09Å
111	F	94.6	Very high	92.7	Very high	13 Å²	13	62.6 Å²	62.6	6%	0.057	33%	0.333	C	S	.	.			trans	-82.9	83.8	178.2	-166	-98.2	0	0	0	110.8	M99 A101 Y106 H107 L108 F120 F126 I135 A178	M99-F111 HydrophobicContact CB-CB 3.77Å; M99-F111 HydrophobicContact CB-CD1 4.18Å; M99-F111 HydrophobicContact CB-CD2 3.4Å; M99-F111 HydrophobicContact CB-CE2 4.01Å; M99-F111 HydrophobicContact CB-CG 3.5Å; M99-F111 HydrophobicContact CE-CD1 3.65Å; M99-F111 HydrophobicContact CE-CE1 3.55Å; M99-F111 HydrophobicContact CE-CG 4.2Å; M99-F111 HydrophobicContact CE-CZ 4.04Å; M99-F111 HydrophobicContact CG-CB 3.59Å; M99-F111 HydrophobicContact CG-CD1 3.87Å; M99-F111 HydrophobicContact CG-CD2 4Å; M99-F111 HydrophobicContact CG-CG 3.53Å; A101-F111 HydrophobicContact CB-CE2 4.18Å; Y106-F111 HydrophobicContact CD2-CD2 4.06Å; Y106-F111 HydrophobicContact CD2-CE2 4.42Å; Y106-F111 HydrophobicContact CG-CD2 4.18Å; H107-F111 PolarHBondContact O-N 3.22Å; H107-F111 VanDerWaalsContact O-N 3.11Å; L108-F111 PolarHBondContact O-N 3Å; F111-F120 AromaticContact CD1-CD2 3.98Å; F111-F120 HydrophobicContact CD1-CD2 3.98Å; F111-F120 AromaticContact CE1-CD2 3.76Å; F111-F120 HydrophobicContact CE1-CD2 3.76Å; F111-F120 HydrophobicContact CE1-CE2 4.33Å; F111-F126 HydrophobicContact CE1-CD1 4.27Å; F111-F126 HydrophobicContact CE1-CE1 4.26Å; F111-F126 HydrophobicContact CE2-CE2 4.33Å; F111-F126 HydrophobicContact CE2-CZ 4.3Å; F111-F126 AromaticContact CZ-CD1 3.9Å; F111-F126 HydrophobicContact CZ-CD1 3.9Å; F111-F126 HydrophobicContact CZ-CD2 4.16Å; F111-F126 AromaticContact CZ-CE1 3.62Å; F111-F126 HydrophobicContact CZ-CE1 3.62Å; F111-F126 AromaticContact CZ-CE2 3.91Å; F111-F126 HydrophobicContact CZ-CE2 3.91Å; F111-F126 HydrophobicContact CZ-CG 4.15Å; F111-F126 AromaticContact CZ-CZ 3.63Å; F111-F126 HydrophobicContact CZ-CZ 3.63Å; F111-I135 HydrophobicContact CD2-CD1 3.43Å; F111-I135 VanDerWaalsContact CD2-CD1 3.43Å; F111-I135 HydrophobicContact CE2-CD1 3.59Å; F111-I135 HydrophobicContact CG-CD1 4.3Å; F111-A178 HydrophobicContact CE1-CB 4.49Å
112	G	94.4	Very high	92.7	Very high	10 Å²	10	68.3 Å²	68.3	10%	0.103	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-157.3	169.8	178.2	0	0	0	0	0	109.9	C110 Q114 C118 I135	C110-G112 PolarHBondContact O-N 3.04Å; C110-G112 VanDerWaalsContact O-N 3.09Å; G112-Q114 PolarHBondContact O-N 3.23Å; G112-C118 WeakPolarHBondContact CA-O 3.24Å; G112-I135 WeakPolarHBondContact O-CB 3.28Å
113	C	95.4	Very high	92.9	Very high	1 Å²	1	67.3 Å²	67.3	1%	0.007	36%	0.356	C	S	.	.			trans	-63.8	134.8	174.3	177.3	0	0	0	0	110.5	D115 C116 H117 C118 F120 I135 L136 C137 D140	C113-D115 VanDerWaalsContact C-N 3.31Å; C113-D115 PolarHBondContact O-N 3.45Å; C113-D115 PolarHBondContact SG-N 3.11Å; C113-D115 VanDerWaalsContact SG-N 3.42Å; C113-C116 WeakPolarHBondContact CB-SG 3.12Å; C113-C116 PolarHBondContact SG-SG 3.19Å; C113-H117 WeakPolarHBondContact O-CA 3.26Å; C113-H117 PolarHBondContact O-N 3.21Å; C113-C118 PolarHBondContact N-O 2.9Å; C113-F120 HydrophobicContact CB-CZ 4.15Å; C113-I135 CarbonylContact C-O 3.6Å; C113-I135 VanDerWaalsContact CA-O 3.29Å; C113-I135 WeakPolarHBondContact CA-O 3.48Å; C113-L136 VanDerWaalsContact SG-CA 3.59Å; C113-C137 HydrophobicContact CB-CB 3.97Å; C113-C137 PolarHBondContact SG-N 3.29Å; C113-C137 VanDerWaalsContact SG-N 3.35Å; C113-D140 PolarHBondContact SG-OD2 2.92Å
114	Q	93.3	Very high	92.9	Very high	50 Å²	50	61.6 Å²	61.6	23%	0.234	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-10.3	-177.8	-66.7	-176	3.9	0	0	114	G112 H117 R134 I135	G112-Q114 PolarHBondContact O-N 3.23Å; Q114-H117 PolarHBondContact O-CE1 3.09Å; Q114-H117 VanDerWaalsContact O-CE1 3.25Å; Q114-R134 VanDerWaalsContact OE1-CB 3.25Å; Q114-R134 VanDerWaalsContact OE1-CD 3.25Å; Q114-I135 PolarHBondContact N-O 2.79Å
115	D	93	Very high	92.9	Very high	62 Å²	62	64.1 Å²	64.1	33%	0.332	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-59.4	178	-67.8	-18.9	0	0	0	111.7	C113 L136 D140 R144	C113-D115 VanDerWaalsContact C-N 3.31Å; C113-D115 PolarHBondContact O-N 3.45Å; C113-D115 PolarHBondContact SG-N 3.11Å; C113-D115 VanDerWaalsContact SG-N 3.42Å; D115-L136 HydrophobicContact CB-CD2 4.41Å; D115-L136 VanDerWaalsContact OD2-CD2 3.25Å; D115-L136 WeakPolarHBondContact OD2-CD2 3.46Å; D115-D140 HydrophobicContact CB-CB 4.27Å; D115-D140 WeakPolarHBondContact CB-OD2 3.06Å; D115-R144 IonicContact OD1-CZ 2.84Å; D115-R144 IonicContact OD1-NH2 3.14Å; D115-R144 PolarHBondContact OD1-NH2 3.37Å; D115-R144 IonicContact OD2-CZ 3.3Å; D115-R144 IonicContact OD2-NE 3.81Å; D115-R144 PolarHBondContact OD2-NE 3.26Å; D115-R144 IonicContact OD2-NH2 3.39Å; D115-R144 PolarHBondContact OD2-NH2 3.33Å
116	C	94.9	Very high	92.9	Very high	54 Å²	54	63.4 Å²	63.4	37%	0.365	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-15.8	175.4	63	0	0	0	0	114.3	C113 C118 D140	C113-C116 WeakPolarHBondContact CB-SG 3.12Å; C113-C116 PolarHBondContact SG-SG 3.19Å; C116-C118 HydrophobicContact CB-CB 4.14Å; C116-C118 WeakPolarHBondContact CB-SG 3.21Å; C116-C118 PolarHBondContact O-N 3.26Å; C116-C118 VanDerWaalsContact O-N 3.1Å; C116-C118 WeakPolarHBondContact SG-CB 3.48Å; C116-C118 PolarHBondContact SG-N 3.47Å; C116-C118 CovalentContact SG-SG 2.07Å; C116-C118 PolarHBondContact SG-SG 3.34Å; C116-D140 VanDerWaalsContact CB-OD2 3.25Å; C116-D140 WeakPolarHBondContact CB-OD2 3.33Å; C116-D140 PolarHBondContact N-OD2 3.35Å; C116-D140 PolarHBondContact SG-OD2 3Å
117	H	93.6	Very high	92.9	Very high	151 Å²	151	64.2 Å²	64.2	70%	0.699	34%	0.341	S	S	*	.			trans	58.4	15.2	-168.1	-56.6	-51.1	0	0	0	115.2	C113 Q114	C113-H117 WeakPolarHBondContact O-CA 3.26Å; C113-H117 PolarHBondContact O-N 3.21Å; Q114-H117 PolarHBondContact O-CE1 3.09Å; Q114-H117 VanDerWaalsContact O-CE1 3.25Å
118	C	94.1	Very high	92.7	Very high	54 Å²	54	65.3 Å²	65.3	37%	0.365	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-73.4	137.3	177.8	54.1	0	0	0	0	111.3	G112 C113 C116	G112-C118 WeakPolarHBondContact CA-O 3.24Å; C113-C118 PolarHBondContact N-O 2.9Å; C116-C118 HydrophobicContact CB-CB 4.14Å; C116-C118 WeakPolarHBondContact CB-SG 3.21Å; C116-C118 PolarHBondContact O-N 3.26Å; C116-C118 VanDerWaalsContact O-N 3.1Å; C116-C118 WeakPolarHBondContact SG-CB 3.48Å; C116-C118 PolarHBondContact SG-N 3.47Å; C116-C118 CovalentContact SG-SG 2.07Å; C116-C118 PolarHBondContact SG-SG 3.34Å
119	R	92.5	Very high	92.5	Very high	170 Å²	170	63.2 Å²	63.2	64%	0.642	34%	0.336	S	S	*	.	B	Isolated β-bridge	trans	-89.1	149	176.8	-69	-171.5	176.7	-173.8	-0.8	109.9
120	F	91.3	Very high	92.1	Very high	33 Å²	33	61.2 Å²	61.2	15%	0.145	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-88.5	137.7	-179.5	-52.8	-68.7	0	0	0	111.6	F111 C113 E124 F126 I135 C137 A178	F111-F120 AromaticContact CD1-CD2 3.98Å; F111-F120 HydrophobicContact CD1-CD2 3.98Å; F111-F120 AromaticContact CE1-CD2 3.76Å; F111-F120 HydrophobicContact CE1-CD2 3.76Å; F111-F120 HydrophobicContact CE1-CE2 4.33Å; C113-F120 HydrophobicContact CB-CZ 4.15Å; F120-E124 VanDerWaalsContact CA-OE2 3.26Å; F120-E124 WeakPolarHBondContact CA-OE2 3.29Å; F120-E124 HydrophobicContact CB-CB 4.41Å; F120-F126 HydrophobicContact CD1-CB 4.17Å; F120-F126 HydrophobicContact CD2-CB 4.25Å; F120-F126 HydrophobicContact CE1-CB 3.77Å; F120-F126 HydrophobicContact CE2-CB 3.84Å; F120-F126 HydrophobicContact CG-CB 4.4Å; F120-F126 HydrophobicContact CZ-CB 3.59Å; F120-I135 HydrophobicContact CE2-CG2 3.52Å; F120-I135 HydrophobicContact CZ-CG2 3.73Å; F120-C137 HydrophobicContact CE1-CB 3.79Å; F120-C137 HydrophobicContact CZ-CB 4.41Å; F120-A178 HydrophobicContact CB-CB 3.97Å
121	C	90	Very high	91.7	Very high	78 Å²	78	66.4 Å²	66.4	53%	0.527	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-81.5	159.9	164.2	-60.6	0	0	0	0	110.6	G123 E124	C121-G123 PolarHBondContact O-N 2.91Å; C121-E124 HydrophobicContact CB-CG 3.99Å; C121-E124 PolarHBondContact N-OE2 3.25Å; C121-E124 WeakPolarHBondContact O-CB 3.39Å; C121-E124 PolarHBondContact O-N 2.84Å
122	V	89.1	Confident	91.4	Very high	122 Å²	122	70.3 Å²	70.3	74%	0.739	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	129.8	176.5	179.4	0	0	0	0	109.9	E124	V122-E124 VanDerWaalsContact C-N 3.29Å; V122-E124 PolarHBondContact O-N 2.85Å
123	G	89.1	Confident	91	Very high	50 Å²	50	73 Å²	73	52%	0.515	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	-6.3	-178.5	0	0	0	0	0	115.3	C121 A178	C121-G123 PolarHBondContact O-N 2.91Å; G123-A178 PolarHBondContact N-O 3.47Å
124	E	90.4	Very high	90.8	Very high	88 Å²	88	77.8 Å²	77.8	41%	0.411	41%	0.411	S	S	.	.			trans	-70.3	149.9	170	-70.1	-177.4	166	0	0	111.5	F120 C121 V122 A178	F120-E124 VanDerWaalsContact CA-OE2 3.26Å; F120-E124 WeakPolarHBondContact CA-OE2 3.29Å; F120-E124 HydrophobicContact CB-CB 4.41Å; C121-E124 HydrophobicContact CB-CG 3.99Å; C121-E124 PolarHBondContact N-OE2 3.25Å; C121-E124 WeakPolarHBondContact O-CB 3.39Å; C121-E124 PolarHBondContact O-N 2.84Å; V122-E124 VanDerWaalsContact C-N 3.29Å; V122-E124 PolarHBondContact O-N 2.85Å; E124-A178 PolarHBondContact O-N 3.35Å
125	K	91.7	Very high	90.8	Very high	85 Å²	85	75.4 Å²	75.4	37%	0.37	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	140.1	177.3	-65.6	176.6	-177.3	175.7	0	109.9	F175	K125-F175 HydrophobicContact CD-CD1 3.92Å; K125-F175 HydrophobicContact CD-CE1 3.92Å; K125-F175 HydrophobicContact CG-CD1 4.42Å
126	F	93.6	Very high	90.8	Very high	8 Å²	8	72.8 Å²	72.8	4%	0.035	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	161.7	167.7	69.2	-90.3	0	0	0	109.8	A101 F111 F120 I135 L136 S176 A178	A101-F126 HydrophobicContact CB-CE2 3.81Å; A101-F126 HydrophobicContact CB-CZ 4.08Å; F111-F126 HydrophobicContact CE1-CD1 4.27Å; F111-F126 HydrophobicContact CE1-CE1 4.26Å; F111-F126 HydrophobicContact CE2-CE2 4.33Å; F111-F126 HydrophobicContact CE2-CZ 4.3Å; F111-F126 AromaticContact CZ-CD1 3.9Å; F111-F126 HydrophobicContact CZ-CD1 3.9Å; F111-F126 HydrophobicContact CZ-CD2 4.16Å; F111-F126 AromaticContact CZ-CE1 3.62Å; F111-F126 HydrophobicContact CZ-CE1 3.62Å; F111-F126 AromaticContact CZ-CE2 3.91Å; F111-F126 HydrophobicContact CZ-CE2 3.91Å; F111-F126 HydrophobicContact CZ-CG 4.15Å; F111-F126 AromaticContact CZ-CZ 3.63Å; F111-F126 HydrophobicContact CZ-CZ 3.63Å; F120-F126 HydrophobicContact CD1-CB 4.17Å; F120-F126 HydrophobicContact CD2-CB 4.25Å; F120-F126 HydrophobicContact CE1-CB 3.77Å; F120-F126 HydrophobicContact CE2-CB 3.84Å; F120-F126 HydrophobicContact CG-CB 4.4Å; F120-F126 HydrophobicContact CZ-CB 3.59Å; F126-I135 HydrophobicContact CB-CG2 4.19Å; F126-I135 HydrophobicContact CD2-CG2 4.08Å; F126-I135 HydrophobicContact CG-CG2 4.44Å; F126-L136 WeakPolarHBondContact CA-O 3.25Å; F126-S176 WeakPolarHBondContact CD1-O 3.48Å; F126-S176 WeakPolarHBondContact CE1-O 3.32Å; F126-A178 HydrophobicContact CD1-CB 4.44Å
127	Y	92.8	Very high	90.8	Very high	17 Å²	17	70.8 Å²	70.8	7%	0.067	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	137	-178.8	-62.3	-96.6	0	0	0	109	I135 L136 E138 F141 N173 F175	Y127-I135 CarbonylContact O-C 3.58Å; Y127-I135 WeakPolarHBondContact O-CA 3.33Å; Y127-L136 PolarHBondContact N-O 2.79Å; Y127-L136 PolarHBondContact O-N 2.77Å; Y127-E138 HydrophobicContact CE2-CB 3.79Å; Y127-E138 HydrophobicContact CE2-CG 3.92Å; Y127-F141 HydrophobicContact CD1-CB 4.48Å; Y127-F141 AromaticContact CD1-CD1 3.65Å; Y127-F141 HydrophobicContact CD1-CD1 3.65Å; Y127-F141 AromaticContact CD1-CD2 3.78Å; Y127-F141 HydrophobicContact CD1-CD2 3.78Å; Y127-F141 AromaticContact CD1-CE1 3.68Å; Y127-F141 HydrophobicContact CD1-CE1 3.68Å; Y127-F141 AromaticContact CD1-CE2 3.8Å; Y127-F141 HydrophobicContact CD1-CE2 3.8Å; Y127-F141 AromaticContact CD1-CG 3.7Å; Y127-F141 HydrophobicContact CD1-CG 3.7Å; Y127-F141 AromaticContact CD1-CZ 3.74Å; Y127-F141 HydrophobicContact CD1-CZ 3.74Å; Y127-F141 HydrophobicContact CD2-CB 3.72Å; Y127-F141 HydrophobicContact CD2-CD1 4.11Å; Y127-F141 HydrophobicContact CD2-CD2 4.42Å; Y127-F141 AromaticContact CD2-CG 3.83Å; Y127-F141 HydrophobicContact CD2-CG 3.83Å; Y127-F141 AromaticContact CE1-CD1 3.61Å; Y127-F141 HydrophobicContact CE1-CD1 3.61Å; Y127-F141 AromaticContact CE1-CE1 3.56Å; Y127-F141 HydrophobicContact CE1-CE1 3.56Å; Y127-F141 HydrophobicContact CE1-CG 4.13Å; Y127-F141 HydrophobicContact CE1-CZ 4.03Å; Y127-F141 HydrophobicContact CE2-CB 4.28Å; Y127-F141 HydrophobicContact CE2-CD1 4.13Å; Y127-F141 HydrophobicContact CE2-CG 4.3Å; Y127-F141 HydrophobicContact CG-CB 3.85Å; Y127-F141 AromaticContact CG-CD1 3.89Å; Y127-F141 HydrophobicContact CG-CD1 3.89Å; Y127-F141 AromaticContact CG-CD2 3.68Å; Y127-F141 HydrophobicContact CG-CD2 3.68Å; Y127-F141 HydrophobicContact CG-CE1 4.36Å; Y127-F141 HydrophobicContact CG-CE2 4.16Å; Y127-F141 AromaticContact CG-CG 3.51Å; Y127-F141 HydrophobicContact CG-CG 3.51Å; Y127-F141 HydrophobicContact CG-CZ 4.47Å; Y127-F141 AromaticContact CZ-CD1 3.84Å; Y127-N173 HydrophobicContact CE1-CB 4.44Å; Y127-F175 HydrophobicContact CE1-CD1 4.31Å; Y127-F175 AromaticContact CE1-CE1 4Å; Y127-F175 HydrophobicContact CE1-CE1 4Å; Y127-F175 AromaticContact CZ-CE1 3.95Å; Y127-F175 WeakPolarHBondContact OH-CE1 3.45Å
128	L	92.2	Very high	90.8	Very high	49 Å²	49	66.6 Å²	66.6	26%	0.257	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	114.6	175.8	-176.9	68.4	0	0	0	108.7	A101 Y106 V130 R134 I135	A101-L128 HydrophobicContact CB-CD2 4.37Å; Y106-L128 VanDerWaalsContact OH-CD1 3.26Å; Y106-L128 WeakPolarHBondContact OH-CD1 3.49Å; L128-V130 PolarHBondContact O-N 3.01Å; L128-R134 CarbonylContact C-O 3.52Å; L128-R134 WeakPolarHBondContact CA-O 3.26Å; L128-I135 HydrophobicContact CD1-CG1 4.04Å
129	D	89	Confident	90.7	Very high	38 Å²	38	69.3 Å²	69.3	20%	0.203	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	107.9	162.8	-179.8	-9.3	0	0	0	107.9	D131 N132 N133 R134	D129-D131 VanDerWaalsContact C-N 3.31Å; D129-D131 PolarHBondContact OD1-N 2.79Å; D129-N132 PolarHBondContact OD1-N 2.85Å; D129-N132 WeakPolarHBondContact OD2-CB 3.46Å; D129-N132 PolarHBondContact OD2-ND2 3.03Å; D129-N133 VanDerWaalsContact O-CA 3.24Å; D129-N133 WeakPolarHBondContact O-CA 3.47Å; D129-N133 PolarHBondContact O-N 3.48Å; D129-R134 HydrophobicContact CB-CB 4.06Å; D129-R134 PolarHBondContact N-O 3.25Å; D129-R134 PolarHBondContact O-N 3.44Å
130	V	85	Confident	90.8	Very high	113 Å²	113	62.5 Å²	62.5	69%	0.685	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-28.5	-175.5	-179	0	0	0	0	111.6	L128	L128-V130 PolarHBondContact O-N 3.01Å
131	D	86.4	Confident	90.9	Very high	148 Å²	148	62.5 Å²	62.5	79%	0.791	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-36.3	-176.8	-63.1	-34.2	0	0	0	110.8	D129	D129-D131 VanDerWaalsContact C-N 3.31Å; D129-D131 PolarHBondContact OD1-N 2.79Å
132	N	87.2	Confident	90.9	Very high	96 Å²	96	63.5 Å²	63.5	51%	0.513	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112	3.1	-175.3	-59.6	-65.6	0	0	0	114.7	D129 R134	D129-N132 PolarHBondContact OD1-N 2.85Å; D129-N132 WeakPolarHBondContact OD2-CB 3.46Å; D129-N132 PolarHBondContact OD2-ND2 3.03Å; N132-R134 HydrophobicContact CB-CG 3.69Å; N132-R134 WeakPolarHBondContact O-CG 3.41Å; N132-R134 PolarHBondContact O-N 2.77Å
133	N	87.4	Confident	91	Very high	66 Å²	66	62.7 Å²	62.7	35%	0.353	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	36.2	-174.3	-60.1	-46.2	0	0	0	113.6	A86 N104 D129	A86-N133 HydrophobicContact CB-CB 4.41Å; N104-N133 PolarHBondContact ND2-OD1 3.3Å; D129-N133 VanDerWaalsContact O-CA 3.24Å; D129-N133 WeakPolarHBondContact O-CA 3.47Å; D129-N133 PolarHBondContact O-N 3.48Å
134	R	90.4	Very high	90.9	Very high	101 Å²	101	65.1 Å²	65.1	38%	0.381	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	135.6	-177.2	-54.4	-163.6	171.9	172.1	-1.3	111.5	Q114 L128 D129 N132	Q114-R134 VanDerWaalsContact OE1-CB 3.25Å; Q114-R134 VanDerWaalsContact OE1-CD 3.25Å; L128-R134 CarbonylContact C-O 3.52Å; L128-R134 WeakPolarHBondContact CA-O 3.26Å; D129-R134 HydrophobicContact CB-CB 4.06Å; D129-R134 PolarHBondContact N-O 3.25Å; D129-R134 PolarHBondContact O-N 3.44Å; N132-R134 HydrophobicContact CB-CG 3.69Å; N132-R134 WeakPolarHBondContact O-CG 3.41Å; N132-R134 PolarHBondContact O-N 2.77Å
135	I	92.9	Very high	90.6	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	136.2	173.6	-60.8	162.2	0	0	0	108.1	Y106 F111 G112 C113 Q114 F120 F126 Y127 L128	Y106-I135 HydrophobicContact CD1-CD1 3.8Å; Y106-I135 HydrophobicContact CD2-CD1 4.1Å; Y106-I135 HydrophobicContact CE1-CD1 3.64Å; Y106-I135 HydrophobicContact CE1-CG1 4.21Å; Y106-I135 HydrophobicContact CE2-CD1 3.97Å; Y106-I135 HydrophobicContact CG-CD1 4.03Å; F111-I135 HydrophobicContact CD2-CD1 3.43Å; F111-I135 VanDerWaalsContact CD2-CD1 3.43Å; F111-I135 HydrophobicContact CE2-CD1 3.59Å; F111-I135 HydrophobicContact CG-CD1 4.3Å; G112-I135 WeakPolarHBondContact O-CB 3.28Å; C113-I135 CarbonylContact C-O 3.6Å; C113-I135 VanDerWaalsContact CA-O 3.29Å; C113-I135 WeakPolarHBondContact CA-O 3.48Å; Q114-I135 PolarHBondContact N-O 2.79Å; F120-I135 HydrophobicContact CE2-CG2 3.52Å; F120-I135 HydrophobicContact CZ-CG2 3.73Å; F126-I135 HydrophobicContact CB-CG2 4.19Å; F126-I135 HydrophobicContact CD2-CG2 4.08Å; F126-I135 HydrophobicContact CG-CG2 4.44Å; Y127-I135 CarbonylContact O-C 3.58Å; Y127-I135 WeakPolarHBondContact O-CA 3.33Å; L128-I135 HydrophobicContact CD1-CG1 4.04Å
136	L	93.5	Very high	90.4	Very high	7 Å²	7	63.8 Å²	63.8	4%	0.037	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	144.6	179.3	-62.9	173	0	0	0	110.5	C113 D115 F126 Y127 D140 F141	C113-L136 VanDerWaalsContact SG-CA 3.59Å; D115-L136 HydrophobicContact CB-CD2 4.41Å; D115-L136 VanDerWaalsContact OD2-CD2 3.25Å; D115-L136 WeakPolarHBondContact OD2-CD2 3.46Å; F126-L136 WeakPolarHBondContact CA-O 3.25Å; Y127-L136 PolarHBondContact N-O 2.79Å; Y127-L136 PolarHBondContact O-N 2.77Å; L136-D140 HydrophobicContact CD2-CB 4.42Å; L136-F141 HydrophobicContact CB-CB 4.29Å; L136-F141 HydrophobicContact CD1-CD2 4.49Å
137	C	94.5	Very high	89.9	Confident	12 Å²	12	69.7 Å²	69.7	8%	0.081	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	169.3	167.6	70.4	0	0	0	0	110.5	C113 F120 D139 D140 F141	C113-C137 HydrophobicContact CB-CB 3.97Å; C113-C137 PolarHBondContact SG-N 3.29Å; C113-C137 VanDerWaalsContact SG-N 3.35Å; F120-C137 HydrophobicContact CE1-CB 3.79Å; F120-C137 HydrophobicContact CZ-CB 4.41Å; C137-D139 VanDerWaalsContact C-N 3.26Å; C137-D139 PolarHBondContact O-N 2.67Å; C137-D140 VanDerWaalsContact SG-CG 3.53Å; C137-D140 PolarHBondContact SG-N 3.42Å; C137-D140 PolarHBondContact SG-OD2 3.48Å; C137-D140 VanDerWaalsContact SG-OD2 3.35Å; C137-F141 WeakPolarHBondContact O-CB 3.15Å; C137-F141 PolarHBondContact O-N 2.07Å
138	E	93.1	Very high	89.4	Confident	64 Å²	64	71.7 Å²	71.7	30%	0.299	36%	0.361	S	S	.	.	H	α-helix	trans	-61.2	-36	179.7	-173.6	168.7	172.4	0	0	113.1	Y127 K142	Y127-E138 HydrophobicContact CE2-CB 3.79Å; Y127-E138 HydrophobicContact CE2-CG 3.92Å; E138-K142 HydrophobicContact CG-CD 4.2Å; E138-K142 WeakPolarHBondContact O-CB 3.25Å; E138-K142 VanDerWaalsContact O-CG 3.25Å; E138-K142 WeakPolarHBondContact O-CG 3.2Å; E138-K142 PolarHBondContact O-N 3.49Å; E138-K142 WeakPolarHBondContact OE1-CE 3.21Å; E138-K142 IonicContact OE1-NZ 2.69Å; E138-K142 PolarHBondContact OE1-NZ 3.26Å
139	D	93.6	Very high	88.8	Confident	111 Å²	111	72.6 Å²	72.6	59%	0.594	36%	0.364	S	S	*	.	H	α-helix	trans	-70.1	-54.9	-179.4	-62.2	-33.3	0	0	0	111	C137 F141 K142 E143	C137-D139 VanDerWaalsContact C-N 3.26Å; C137-D139 PolarHBondContact O-N 2.67Å; D139-F141 VanDerWaalsContact C-N 3.25Å; D139-F141 PolarHBondContact O-N 3.17Å; D139-K142 PolarHBondContact O-N 3.05Å; D139-K142 VanDerWaalsContact O-N 3.08Å; D139-E143 WeakPolarHBondContact O-CG 3.06Å; D139-E143 PolarHBondContact O-N 3.02Å
140	D	93.8	Very high	88.3	Confident	26 Å²	26	75.5 Å²	75.5	14%	0.139	38%	0.378	C	S	.	.	H	α-helix	trans	-61.6	-34.4	178.8	-69.1	-27.6	0	0	0	112	C113 D115 C116 L136 C137 R144	C113-D140 PolarHBondContact SG-OD2 2.92Å; D115-D140 HydrophobicContact CB-CB 4.27Å; D115-D140 WeakPolarHBondContact CB-OD2 3.06Å; C116-D140 VanDerWaalsContact CB-OD2 3.25Å; C116-D140 WeakPolarHBondContact CB-OD2 3.33Å; C116-D140 PolarHBondContact N-OD2 3.35Å; C116-D140 PolarHBondContact SG-OD2 3Å; L136-D140 HydrophobicContact CD2-CB 4.42Å; C137-D140 VanDerWaalsContact SG-CG 3.53Å; C137-D140 PolarHBondContact SG-N 3.42Å; C137-D140 PolarHBondContact SG-OD2 3.48Å; C137-D140 VanDerWaalsContact SG-OD2 3.35Å; D140-R144 WeakPolarHBondContact O-CB 3.2Å; D140-R144 WeakPolarHBondContact O-CG 3.48Å; D140-R144 PolarHBondContact O-N 2.98Å
141	F	92.7	Very high	87.7	Confident	34 Å²	34	74.5 Å²	74.5	15%	0.149	38%	0.381	C	S	.	.	H	α-helix	trans	-63.2	-48.5	173.3	176.1	-99.1	0	0	0	111.9	Y127 L136 C137 D139 E143 R144 M145	Y127-F141 HydrophobicContact CD1-CB 4.48Å; Y127-F141 AromaticContact CD1-CD1 3.65Å; Y127-F141 HydrophobicContact CD1-CD1 3.65Å; Y127-F141 AromaticContact CD1-CD2 3.78Å; Y127-F141 HydrophobicContact CD1-CD2 3.78Å; Y127-F141 AromaticContact CD1-CE1 3.68Å; Y127-F141 HydrophobicContact CD1-CE1 3.68Å; Y127-F141 AromaticContact CD1-CE2 3.8Å; Y127-F141 HydrophobicContact CD1-CE2 3.8Å; Y127-F141 AromaticContact CD1-CG 3.7Å; Y127-F141 HydrophobicContact CD1-CG 3.7Å; Y127-F141 AromaticContact CD1-CZ 3.74Å; Y127-F141 HydrophobicContact CD1-CZ 3.74Å; Y127-F141 HydrophobicContact CD2-CB 3.72Å; Y127-F141 HydrophobicContact CD2-CD1 4.11Å; Y127-F141 HydrophobicContact CD2-CD2 4.42Å; Y127-F141 AromaticContact CD2-CG 3.83Å; Y127-F141 HydrophobicContact CD2-CG 3.83Å; Y127-F141 AromaticContact CE1-CD1 3.61Å; Y127-F141 HydrophobicContact CE1-CD1 3.61Å; Y127-F141 AromaticContact CE1-CE1 3.56Å; Y127-F141 HydrophobicContact CE1-CE1 3.56Å; Y127-F141 HydrophobicContact CE1-CG 4.13Å; Y127-F141 HydrophobicContact CE1-CZ 4.03Å; Y127-F141 HydrophobicContact CE2-CB 4.28Å; Y127-F141 HydrophobicContact CE2-CD1 4.13Å; Y127-F141 HydrophobicContact CE2-CG 4.3Å; Y127-F141 HydrophobicContact CG-CB 3.85Å; Y127-F141 AromaticContact CG-CD1 3.89Å; Y127-F141 HydrophobicContact CG-CD1 3.89Å; Y127-F141 AromaticContact CG-CD2 3.68Å; Y127-F141 HydrophobicContact CG-CD2 3.68Å; Y127-F141 HydrophobicContact CG-CE1 4.36Å; Y127-F141 HydrophobicContact CG-CE2 4.16Å; Y127-F141 AromaticContact CG-CG 3.51Å; Y127-F141 HydrophobicContact CG-CG 3.51Å; Y127-F141 HydrophobicContact CG-CZ 4.47Å; Y127-F141 AromaticContact CZ-CD1 3.84Å; L136-F141 HydrophobicContact CB-CB 4.29Å; L136-F141 HydrophobicContact CD1-CD2 4.49Å; C137-F141 WeakPolarHBondContact O-CB 3.15Å; C137-F141 PolarHBondContact O-N 2.07Å; D139-F141 VanDerWaalsContact C-N 3.25Å; D139-F141 PolarHBondContact O-N 3.17Å; F141-E143 VanDerWaalsContact C-N 3.35Å; F141-R144 PolarHBondContact O-N 3.35Å; F141-M145 HydrophobicContact CD1-CG 4.46Å; F141-M145 HydrophobicContact CD2-CE 4.33Å; F141-M145 HydrophobicContact CE1-CG 4.07Å; F141-M145 HydrophobicContact CE2-CE 3.43Å; F141-M145 VanDerWaalsContact CE2-CE 3.43Å; F141-M145 HydrophobicContact CE2-CG 4.27Å; F141-M145 HydrophobicContact CZ-CE 3.58Å; F141-M145 HydrophobicContact CZ-CG 3.98Å; F141-M145 WeakPolarHBondContact O-CG 3.25Å; F141-M145 PolarHBondContact O-N 3.1Å
142	K	91.2	Very high	86.7	Confident	98 Å²	98	71.7 Å²	71.7	43%	0.426	37%	0.373	S	S	.	.	H	α-helix	trans	-62.5	-43.1	177.8	-76.5	170	-175.9	165.8	0	111.3	E138 D139 M145 L146	E138-K142 HydrophobicContact CG-CD 4.2Å; E138-K142 WeakPolarHBondContact O-CB 3.25Å; E138-K142 VanDerWaalsContact O-CG 3.25Å; E138-K142 WeakPolarHBondContact O-CG 3.2Å; E138-K142 PolarHBondContact O-N 3.49Å; E138-K142 WeakPolarHBondContact OE1-CE 3.21Å; E138-K142 IonicContact OE1-NZ 2.69Å; E138-K142 PolarHBondContact OE1-NZ 3.26Å; D139-K142 PolarHBondContact O-N 3.05Å; D139-K142 VanDerWaalsContact O-N 3.08Å; K142-M145 PolarHBondContact O-N 3.07Å; K142-L146 WeakPolarHBondContact O-CG 3.46Å; K142-L146 PolarHBondContact O-N 2.69Å
143	E	90.1	Very high	85.3	Confident	105 Å²	105	71.7 Å²	71.7	49%	0.491	37%	0.367	S	S	.	.	H	α-helix	trans	-59.5	-50.6	176.8	-73	-167.6	-179.7	0	0	111.3	D139 F141 M145 L146 F147	D139-E143 WeakPolarHBondContact O-CG 3.06Å; D139-E143 PolarHBondContact O-N 3.02Å; F141-E143 VanDerWaalsContact C-N 3.35Å; E143-M145 VanDerWaalsContact C-N 3.26Å; E143-M145 PolarHBondContact O-N 3.3Å; E143-L146 PolarHBondContact O-N 3.42Å; E143-L146 VanDerWaalsContact O-N 3.13Å; E143-F147 HydrophobicContact CB-CD2 4.38Å; E143-F147 HydrophobicContact CB-CE2 4.17Å; E143-F147 WeakPolarHBondContact O-CD2 3.43Å; E143-F147 PolarHBondContact O-N 3.25Å
144	R	86.8	Confident	83.8	Confident	101 Å²	101	73 Å²	73	38%	0.381	38%	0.379	S	S	.	.	H	α-helix	trans	-56.6	-39.8	175.6	-79.3	178.3	177.3	-91.5	-3.3	112.7	D115 D140 F141 F147 A148	D115-R144 IonicContact OD1-CZ 2.84Å; D115-R144 IonicContact OD1-NH2 3.14Å; D115-R144 PolarHBondContact OD1-NH2 3.37Å; D115-R144 IonicContact OD2-CZ 3.3Å; D115-R144 IonicContact OD2-NE 3.81Å; D115-R144 PolarHBondContact OD2-NE 3.26Å; D115-R144 IonicContact OD2-NH2 3.39Å; D115-R144 PolarHBondContact OD2-NH2 3.33Å; D140-R144 WeakPolarHBondContact O-CB 3.2Å; D140-R144 WeakPolarHBondContact O-CG 3.48Å; D140-R144 PolarHBondContact O-N 2.98Å; F141-R144 PolarHBondContact O-N 3.35Å; R144-F147 PolarHBondContact O-N 3.42Å; R144-A148 WeakPolarHBondContact O-CB 3.39Å; R144-A148 PolarHBondContact O-N 3.17Å
145	M	85.2	Confident	82.4	Confident	73 Å²	73	75.2 Å²	75.2	36%	0.36	40%	0.403	S	S	.	.	H	α-helix	trans	-67.7	-40.3	177.5	-73.2	-64.5	167.2	0	0	112.6	F141 K142 E143 A148 Q149 F169	F141-M145 HydrophobicContact CD1-CG 4.46Å; F141-M145 HydrophobicContact CD2-CE 4.33Å; F141-M145 HydrophobicContact CE1-CG 4.07Å; F141-M145 HydrophobicContact CE2-CE 3.43Å; F141-M145 VanDerWaalsContact CE2-CE 3.43Å; F141-M145 HydrophobicContact CE2-CG 4.27Å; F141-M145 HydrophobicContact CZ-CE 3.58Å; F141-M145 HydrophobicContact CZ-CG 3.98Å; F141-M145 WeakPolarHBondContact O-CG 3.25Å; F141-M145 PolarHBondContact O-N 3.1Å; K142-M145 PolarHBondContact O-N 3.07Å; E143-M145 VanDerWaalsContact C-N 3.26Å; E143-M145 PolarHBondContact O-N 3.3Å; M145-A148 PolarHBondContact O-N 3.48Å; M145-Q149 WeakPolarHBondContact O-CG 3.36Å; M145-Q149 PolarHBondContact O-N 3.05Å; M145-F169 HydrophobicContact CB-CE1 4.07Å; M145-F169 HydrophobicContact CB-CZ 4.29Å; M145-F169 HydrophobicContact CG-CE1 4.5Å
146	L	86.6	Confident	80.8	Confident	73 Å²	73	78.8 Å²	78.8	38%	0.382	44%	0.44	S	S	.	.	H	α-helix	trans	-62.6	-46.9	173.8	-71.1	168.7	0	0	0	110.9	K142 E143 A148 Q149 M150 A165	K142-L146 WeakPolarHBondContact O-CG 3.46Å; K142-L146 PolarHBondContact O-N 2.69Å; E143-L146 PolarHBondContact O-N 3.42Å; E143-L146 VanDerWaalsContact O-N 3.13Å; L146-A148 PolarHBondContact O-N 3.44Å; L146-Q149 PolarHBondContact O-N 2.91Å; L146-M150 VanDerWaalsContact O-CG 3.3Å; L146-M150 WeakPolarHBondContact O-CG 3.42Å; L146-M150 PolarHBondContact O-N 3.47Å; L146-A165 HydrophobicContact CD2-CB 3.82Å
147	F	84	Confident	79	Confident	132 Å²	132	84.6 Å²	84.6	58%	0.579	47%	0.465	S	S	*	.	H	α-helix	trans	-62.4	-41.3	177.3	-72.5	-61.5	0	0	0	112.7	E143 R144 Q149 M150 A151	E143-F147 HydrophobicContact CB-CD2 4.38Å; E143-F147 HydrophobicContact CB-CE2 4.17Å; E143-F147 WeakPolarHBondContact O-CD2 3.43Å; E143-F147 PolarHBondContact O-N 3.25Å; R144-F147 PolarHBondContact O-N 3.42Å; F147-Q149 VanDerWaalsContact C-N 3.32Å; F147-Q149 PolarHBondContact O-N 3.47Å; F147-M150 HydrophobicContact CD1-SD 4.39Å; F147-M150 PolarHBondContact O-N 3.47Å; F147-A151 WeakPolarHBondContact O-CB 3.02Å; F147-A151 PolarHBondContact O-N 2.91Å
148	A	81.2	Confident	77.1	Confident	59 Å²	59	89.9 Å²	89.9	49%	0.488	49%	0.492	S	S	.	.	H	α-helix	trans	-62	-40.2	175.8	0	0	0	0	0	112	R144 M145 L146 A151 S152	R144-A148 WeakPolarHBondContact O-CB 3.39Å; R144-A148 PolarHBondContact O-N 3.17Å; M145-A148 PolarHBondContact O-N 3.48Å; L146-A148 PolarHBondContact O-N 3.44Å; A148-A151 PolarHBondContact O-N 3.24Å; A148-S152 PolarHBondContact O-N 3.25Å
149	Q	80.1	Confident	75.3	Confident	68 Å²	68	94.5 Å²	94.5	32%	0.318	52%	0.519	S	S	.	.	H	α-helix	trans	-65.2	-44.9	173.9	-73.3	-178.7	0.5	0	0	111.8	M145 L146 F147 A151 S152 Y153	M145-Q149 WeakPolarHBondContact O-CG 3.36Å; M145-Q149 PolarHBondContact O-N 3.05Å; L146-Q149 PolarHBondContact O-N 2.91Å; F147-Q149 VanDerWaalsContact C-N 3.32Å; F147-Q149 PolarHBondContact O-N 3.47Å; Q149-A151 VanDerWaalsContact C-N 3.32Å; Q149-A151 PolarHBondContact O-N 3.27Å; Q149-S152 PolarHBondContact O-N 2.96Å; Q149-S152 PolarHBondContact O-OG 2.89Å; Q149-Y153 WeakPolarHBondContact O-CD2 3.38Å; Q149-Y153 PolarHBondContact O-N 3.08Å
150	M	78.1	Confident	73.6	Confident	99 Å²	99	95.1 Å²	95.1	49%	0.488	52%	0.518	S	S	.	.	H	α-helix	trans	-59	-41.2	176.6	-70.5	-176.6	135.2	0	0	112.5	L146 F147 S152 Y153 L161	L146-M150 VanDerWaalsContact O-CG 3.3Å; L146-M150 WeakPolarHBondContact O-CG 3.42Å; L146-M150 PolarHBondContact O-N 3.47Å; F147-M150 HydrophobicContact CD1-SD 4.39Å; F147-M150 PolarHBondContact O-N 3.47Å; M150-S152 VanDerWaalsContact C-N 3.29Å; M150-S152 PolarHBondContact O-N 3.13Å; M150-Y153 WeakPolarHBondContact O-CB 3.34Å; M150-Y153 PolarHBondContact O-N 2.73Å; M150-Y153 VanDerWaalsContact O-N 3.1Å; M150-L161 HydrophobicContact CE-CD2 3.17Å; M150-L161 HydrophobicContact CG-CD2 3.98Å; M150-L161 HydrophobicContact SD-CD2 4.37Å
151	A	72.2	Confident	71.7	Confident	91 Å²	91	95.6 Å²	95.6	75%	0.752	52%	0.52	S	S	*	.	H	α-helix	trans	-66.6	-30	178.6	0	0	0	0	0	112.8	F147 A148 Q149 Y153	F147-A151 WeakPolarHBondContact O-CB 3.02Å; F147-A151 PolarHBondContact O-N 2.91Å; A148-A151 PolarHBondContact O-N 3.24Å; Q149-A151 VanDerWaalsContact C-N 3.32Å; Q149-A151 PolarHBondContact O-N 3.27Å; A151-Y153 VanDerWaalsContact C-N 3.3Å
152	S	67.1	Low	69.6	Low	90 Å²	90	103.8 Å²	103.8	63%	0.629	56%	0.556	S	S	*	*	H	α-helix	trans	-79.2	-11	173.6	73.9	0	0	0	0	113.8	A148 Q149 M150 P154	A148-S152 PolarHBondContact O-N 3.25Å; Q149-S152 PolarHBondContact O-N 2.96Å; Q149-S152 PolarHBondContact O-OG 2.89Å; M150-S152 VanDerWaalsContact C-N 3.29Å; M150-S152 PolarHBondContact O-N 3.13Å; S152-P154 WeakPolarHBondContact O-CD 3.47Å
153	Y	56.4	Low	67.7	Low	95 Å²	95	109.8 Å²	109.8	37%	0.373	58%	0.576	S	S	.	*	S	Bend	trans	-78.7	124	-176.9	-111.2	-101.1	0	0	0	110.6	Q149 M150 A151 V155 L161	Q149-Y153 WeakPolarHBondContact O-CD2 3.38Å; Q149-Y153 PolarHBondContact O-N 3.08Å; M150-Y153 WeakPolarHBondContact O-CB 3.34Å; M150-Y153 PolarHBondContact O-N 2.73Å; M150-Y153 VanDerWaalsContact O-N 3.1Å; A151-Y153 VanDerWaalsContact C-N 3.3Å; Y153-V155 PolarHBondContact O-N 2.91Å; Y153-L161 HydrophobicContact CD1-CD1 3.68Å; Y153-L161 HydrophobicContact CD2-CD1 4.17Å; Y153-L161 HydrophobicContact CE1-CD1 3.99Å; Y153-L161 HydrophobicContact CE2-CD1 4.45Å; Y153-L161 HydrophobicContact CG-CD1 3.77Å
154	P	56.5	Low	65.8	Low	95 Å²	95	110 Å²	110	62%	0.617	58%	0.581	S	S	*	*			trans	-59.7	128.5	174.7	21.7	-29.6	0	0	0	109.5	S152 G156 K157	S152-P154 WeakPolarHBondContact O-CD 3.47Å; P154-G156 PolarHBondContact O-N 3.24Å; P154-K157 PolarHBondContact O-N 3.22Å; P154-K157 VanDerWaalsContact O-N 3.14Å
155	V	60.7	Low	64.1	Low	146 Å²	146	107.1 Å²	107.1	89%	0.885	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-46.9	-23	-172.6	178.5	0	0	0	0	113.7	Y153 K157	Y153-V155 PolarHBondContact O-N 2.91Å; V155-K157 PolarHBondContact O-N 3.1Å
156	G	59.7	Low	62.2	Low	76 Å²	76	109.6 Å²	109.6	78%	0.784	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-80	-3.4	-178.6	0	0	0	0	0	118	P154	P154-G156 PolarHBondContact O-N 3.24Å
157	K	54.9	Low	60.3	Low	129 Å²	129	117.5 Å²	117.5	56%	0.561	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-126.2	27.5	-178.5	-89.4	-173	178.3	-179	0	115.8	P154 V155 N159 Q160	P154-K157 PolarHBondContact O-N 3.22Å; P154-K157 VanDerWaalsContact O-N 3.14Å; V155-K157 PolarHBondContact O-N 3.1Å; K157-N159 PolarHBondContact O-N 3.4Å; K157-Q160 PolarHBondContact O-N 2.92Å
158	L	55.9	Low	58.2	Low	122 Å²	122	120 Å²	120	64%	0.639	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-52.5	-27.7	178.5	-170.3	63.2	0	0	0	114.5	Q160 L161	L158-Q160 VanDerWaalsContact C-N 3.33Å; L158-Q160 PolarHBondContact O-N 3.26Å; L158-L161 HydrophobicContact CD1-CD2 4.21Å; L158-L161 WeakPolarHBondContact O-CB 3.35Å; L158-L161 PolarHBondContact O-N 2.91Å
159	N	55.2	Low	56.5	Low	162 Å²	162	121.2 Å²	121.2	87%	0.866	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-75	-15	-175.2	-68	-12.2	0	0	0	114.9	K157	K157-N159 PolarHBondContact O-N 3.4Å
160	Q	56.6	Low	54.6	Low	123 Å²	123	126.6 Å²	126.6	58%	0.575	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-95.8	-5.1	179.2	-71.8	178.8	0.2	0	0	113.5	K157 L158 K162 R163	K157-Q160 PolarHBondContact O-N 2.92Å; L158-Q160 VanDerWaalsContact C-N 3.33Å; L158-Q160 PolarHBondContact O-N 3.26Å; Q160-K162 PolarHBondContact O-N 3.07Å; Q160-R163 PolarHBondContact O-N 2.79Å
161	L	54.3	Low	52.7	Low	36 Å²	36	129.8 Å²	129.8	19%	0.188	68%	0.675	C	S	.	*	H	α-helix	trans	-62.7	-20.7	-168.5	-143.2	88.9	0	0	0	115.1	M150 Y153 L158 R163	M150-L161 HydrophobicContact CE-CD2 3.17Å; M150-L161 HydrophobicContact CG-CD2 3.98Å; M150-L161 HydrophobicContact SD-CD2 4.37Å; Y153-L161 HydrophobicContact CD1-CD1 3.68Å; Y153-L161 HydrophobicContact CD2-CD1 4.17Å; Y153-L161 HydrophobicContact CE1-CD1 3.99Å; Y153-L161 HydrophobicContact CE2-CD1 4.45Å; Y153-L161 HydrophobicContact CG-CD1 3.77Å; L158-L161 HydrophobicContact CD1-CD2 4.21Å; L158-L161 WeakPolarHBondContact O-CB 3.35Å; L158-L161 PolarHBondContact O-N 2.91Å; L161-R163 VanDerWaalsContact C-N 3.33Å; L161-R163 PolarHBondContact O-N 3.14Å
162	K	48.5	Very low	51.1	Low	206 Å²	206	129.9 Å²	129.9	90%	0.896	68%	0.676	S	S	*	*	H	α-helix	trans	-77.3	-13.3	-172.8	-142	178.1	-176.5	-179.7	0	114.2	Q160	Q160-K162 PolarHBondContact O-N 3.07Å
163	R	52.9	Low	49.8	Very low	225 Å²	225	127.7 Å²	127.7	85%	0.849	66%	0.657	S	S	*	*	H	α-helix	trans	-104.8	-28.6	-171.6	-86.3	-172.6	-97.8	176	-6.4	116	Q160 L161	Q160-R163 PolarHBondContact O-N 2.79Å; L161-R163 VanDerWaalsContact C-N 3.33Å; L161-R163 PolarHBondContact O-N 3.14Å
164	D	49.9	Very low	49.3	Very low	110 Å²	110	133.2 Å²	133.2	59%	0.588	68%	0.683	S	S	*	*	H	α-helix	trans	-98.1	-9	-167	-65.8	-24.5	0	0	0	115.1	C166	D164-C166 PolarHBondContact O-N 3.03Å
165	A	50.4	Low	49	Very low	40 Å²	40	133 Å²	133	33%	0.331	67%	0.672	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.5	-17.4	-176.8	0	0	0	0	0	114.4	L146 F169	L146-A165 HydrophobicContact CD2-CB 3.82Å; A165-F169 WeakPolarHBondContact O-CE2 3.39Å
166	C	44.2	Very low	48.8	Very low	125 Å²	125	128.7 Å²	128.7	85%	0.845	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	-6.5	-168.2	-139.3	0	0	0	0	115.6	D164	D164-C166 PolarHBondContact O-N 3.03Å
167	R	46.6	Very low	48.7	Very low	239 Å²	239	129.7 Å²	129.7	90%	0.902	64%	0.637	S	S	*	*	S	Bend	trans	-109.6	-4.6	-160.9	-119.3	179.8	-177.6	-176.3	0.1	119
168	K	41.8	Very low	48.8	Very low	185 Å²	185	124 Å²	124	80%	0.804	61%	0.613	S	S	*	*	S	Bend	trans	-114.3	4.1	-167	-77	-166.8	176.6	-176.6	0	118
169	F	44.4	Very low	48.6	Very low	83 Å²	83	127.3 Å²	127.3	36%	0.364	63%	0.631	S	S	.	*			trans	-100.8	-0.3	-161	-67	-73.8	0	0	0	117.8	M145 A165 N171	M145-F169 HydrophobicContact CB-CE1 4.07Å; M145-F169 HydrophobicContact CB-CZ 4.29Å; M145-F169 HydrophobicContact CG-CE1 4.5Å; A165-F169 WeakPolarHBondContact O-CE2 3.39Å; F169-N171 VanDerWaalsContact C-N 3.35Å; F169-N171 PolarHBondContact O-N 3.24Å
170	E	40.9	Very low	48.3	Very low	182 Å²	182	125.6 Å²	125.6	85%	0.85	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	-16.8	-173.4	-81.1	-178	151.3	0	0	115.7
171	N	37.5	Very low	47.9	Very low	166 Å²	166	125.7 Å²	125.7	89%	0.888	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.4	-0.7	-162.3	-78.5	-28.6	0	0	0	118.3	F169	F169-N171 VanDerWaalsContact C-N 3.35Å; F169-N171 PolarHBondContact O-N 3.24Å
172	A	37.8	Very low	47.5	Very low	92 Å²	92	130.7 Å²	130.7	76%	0.76	65%	0.645	S	S	*	*			trans	-107.3	-4.6	-174.9	0	0	0	0	0	115.7	K174	A172-K174 PolarHBondContact O-N 3.06Å
173	N	39.9	Very low	47.4	Very low	44 Å²	44	126.2 Å²	126.2	24%	0.235	63%	0.63	C	S	.	*			trans	-89.1	105.5	-163.4	-76.3	-25	0	0	0	113.1	Y127 F175	Y127-N173 HydrophobicContact CE1-CB 4.44Å; N173-F175 HydrophobicContact CB-CD1 3.86Å; N173-F175 HydrophobicContact CB-CD2 3.6Å; N173-F175 HydrophobicContact CB-CE1 3.47Å; N173-F175 VanDerWaalsContact CB-CE1 3.47Å; N173-F175 HydrophobicContact CB-CE2 3.19Å; N173-F175 HydrophobicContact CB-CG 3.93Å; N173-F175 HydrophobicContact CB-CZ 3.14Å; N173-F175 WeakPolarHBondContact ND2-CE1 3.41Å; N173-F175 VanDerWaalsContact ND2-CZ 3.28Å; N173-F175 WeakPolarHBondContact ND2-CZ 3.3Å; N173-F175 WeakPolarHBondContact O-CD2 3.5Å; N173-F175 PolarHBondContact O-N 3.48Å
174	K	46.2	Very low	47.1	Very low	212 Å²	212	120.1 Å²	120.1	92%	0.922	62%	0.617	S	S	*	*			trans	-69.4	77.7	156.5	-72.9	177.3	179.4	173.8	0	108.2	A172 S176	A172-K174 PolarHBondContact O-N 3.06Å; K174-S176 PolarHBondContact O-N 3.38Å
175	F	50	Low	46.9	Very low	89 Å²	89	120.7 Å²	120.7	39%	0.39	62%	0.619	S	S	.	*			trans	-66.5	130	176.1	-60.9	-77.4	0	0	0	109.7	K125 Y127 N173	K125-F175 HydrophobicContact CD-CD1 3.92Å; K125-F175 HydrophobicContact CD-CE1 3.92Å; K125-F175 HydrophobicContact CG-CD1 4.42Å; Y127-F175 HydrophobicContact CE1-CD1 4.31Å; Y127-F175 AromaticContact CE1-CE1 4Å; Y127-F175 HydrophobicContact CE1-CE1 4Å; Y127-F175 AromaticContact CZ-CE1 3.95Å; Y127-F175 WeakPolarHBondContact OH-CE1 3.45Å; N173-F175 HydrophobicContact CB-CD1 3.86Å; N173-F175 HydrophobicContact CB-CD2 3.6Å; N173-F175 HydrophobicContact CB-CE1 3.47Å; N173-F175 VanDerWaalsContact CB-CE1 3.47Å; N173-F175 HydrophobicContact CB-CE2 3.19Å; N173-F175 HydrophobicContact CB-CG 3.93Å; N173-F175 HydrophobicContact CB-CZ 3.14Å; N173-F175 WeakPolarHBondContact ND2-CE1 3.41Å; N173-F175 VanDerWaalsContact ND2-CZ 3.28Å; N173-F175 WeakPolarHBondContact ND2-CZ 3.3Å; N173-F175 WeakPolarHBondContact O-CD2 3.5Å; N173-F175 PolarHBondContact O-N 3.48Å
176	S	57.5	Low	46.7	Very low	56 Å²	56	126.5 Å²	126.5	39%	0.392	64%	0.639	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.6	132.6	158	-71.9	0	0	0	0	106.9	F126 K174	F126-S176 WeakPolarHBondContact CD1-O 3.48Å; F126-S176 WeakPolarHBondContact CE1-O 3.32Å; K174-S176 PolarHBondContact O-N 3.38Å
177	N	57.1	Low	46.8	Very low	98 Å²	98	126.6 Å²	126.6	52%	0.524	62%	0.623	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.2	145	175	-67.2	-21.2	0	0	0	108.9	L179	N177-L179 PolarHBondContact O-N 3.49Å
178	A	57.8	Low	46.9	Very low	8 Å²	8	117.3 Å²	117.3	7%	0.066	60%	0.6	C	S	.	*			trans	-67.1	121	168.2	0	0	0	0	0	109.1	F111 F120 G123 E124 F126	F111-A178 HydrophobicContact CE1-CB 4.49Å; F120-A178 HydrophobicContact CB-CB 3.97Å; G123-A178 PolarHBondContact N-O 3.47Å; E124-A178 PolarHBondContact O-N 3.35Å; F126-A178 HydrophobicContact CD1-CB 4.44Å
179	L	51.5	Low	47.3	Very low	192 Å²	192	111.1 Å²	111.1	100%	1.005	58%	0.582	S	S	*	*			trans	-81.1	0	174.8	-72.7	172	0	0	0	111	N177	N177-L179 PolarHBondContact O-N 3.49Å

Retrieved 179 of 179 residues in 228.1 ms (Link to these results)

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