A0A3Q0KJ01_SCHMA Loading...

Putative molybdopterin cofactor synthesis protein A

AlphaFold DB , UniProt , Accession A0A3Q0KJ01, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 244 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	38.9	Very low	47.5	Very low	244 Å²	244	109.4 Å²	109.4	100%	1.202	56%	0.555	S	S	*	*				0	109.6	0	-79.6	162	87.4	0	0	108.8	M3	M1-M3 PolarHBondContact O-N 3.04Å
2	K	38.7	Very low	47.4	Very low	217 Å²	217	108.4 Å²	108.4	94%	0.943	55%	0.545	S	S	*	.			trans	-81.8	108.6	173.2	-76.5	-178.9	176.9	178.8	0	108.1
3	M	44.1	Very low	47.3	Very low	118 Å²	118	109.9 Å²	109.9	58%	0.581	55%	0.546	S	S	*	.			trans	-67.4	133.9	164.9	-81.4	174.1	67.8	0	0	108.3	M1 T7	M1-M3 PolarHBondContact O-N 3.04Å; M3-T7 HydrophobicContact CE-CG2 3.44Å; M3-T7 VanDerWaalsContact CE-CG2 3.44Å
4	S	55.7	Low	47.2	Very low	66 Å²	66	115.4 Å²	115.4	46%	0.462	56%	0.557	S	S	.	*			trans	-69.6	151.8	178.1	81.7	0	0	0	0	110.2	H6 T7 L8	S4-H6 PolarHBondContact O-N 2.89Å; S4-T7 WeakPolarHBondContact O-CB 3.47Å; S4-T7 PolarHBondContact O-N 3.43Å; S4-T7 PolarHBondContact OG-OG1 2.93Å; S4-L8 PolarHBondContact O-N 3.22Å
5	H	44.3	Very low	47	Very low	118 Å²	118	113.2 Å²	113.2	55%	0.546	57%	0.565	S	S	.	*	H	α-helix	trans	-51.8	-30.1	176.5	-145.5	-88.9	0	0	0	112.1	I9	H5-I9 WeakPolarHBondContact O-CG1 3.43Å; H5-I9 PolarHBondContact O-N 3.05Å
6	H	48.7	Very low	47.2	Very low	122 Å²	122	111.6 Å²	111.6	57%	0.565	56%	0.558	S	S	*	*	H	α-helix	trans	-68.9	-32.5	177.2	-154.2	-33.6	0	0	0	113.1	S4 N10	S4-H6 PolarHBondContact O-N 2.89Å; H6-N10 PolarHBondContact CE1-ND2 3.25Å; H6-N10 PolarHBondContact ND1-ND2 2.93Å; H6-N10 VanDerWaalsContact ND1-ND2 3.14Å; H6-N10 WeakPolarHBondContact O-CB 3.27Å; H6-N10 VanDerWaalsContact O-CG 3.23Å; H6-N10 PolarHBondContact O-N 2.81Å; H6-N10 VanDerWaalsContact O-N 3.09Å; H6-N10 PolarHBondContact O-ND2 3.26Å
7	T	54.7	Low	46.7	Very low	53 Å²	53	112.8 Å²	112.8	33%	0.325	56%	0.562	S	S	.	*	H	α-helix	trans	-72.9	-38.1	178.3	-41.8	0	0	0	0	111.6	M3 S4 N10 C11	M3-T7 HydrophobicContact CE-CG2 3.44Å; M3-T7 VanDerWaalsContact CE-CG2 3.44Å; S4-T7 WeakPolarHBondContact O-CB 3.47Å; S4-T7 PolarHBondContact O-N 3.43Å; S4-T7 PolarHBondContact OG-OG1 2.93Å; T7-N10 PolarHBondContact O-N 3.44Å; T7-C11 WeakPolarHBondContact O-CB 3.1Å; T7-C11 PolarHBondContact O-N 3.33Å
8	L	47.1	Very low	46.2	Very low	62 Å²	62	111.9 Å²	111.9	33%	0.325	57%	0.565	S	S	.	*	H	α-helix	trans	-64	-46.4	174.8	-93.9	159.1	0	0	0	111.8	S4 N10 C11 F12 K133	S4-L8 PolarHBondContact O-N 3.22Å; L8-N10 VanDerWaalsContact C-N 3.32Å; L8-N10 PolarHBondContact O-N 3.13Å; L8-C11 PolarHBondContact O-N 2.77Å; L8-F12 PolarHBondContact O-N 2.78Å; L8-K133 HydrophobicContact CD1-CG 4.39Å
9	I	54.3	Low	45.9	Very low	81 Å²	81	113.9 Å²	113.9	42%	0.415	58%	0.578	S	S	.	*	H	α-helix	trans	-61.7	-40.1	176.4	-67.4	168.1	0	0	0	111.3	H5 F12 K13	H5-I9 WeakPolarHBondContact O-CG1 3.43Å; H5-I9 PolarHBondContact O-N 3.05Å; I9-F12 PolarHBondContact O-N 3.38Å; I9-K13 PolarHBondContact O-N 3.41Å
10	N	46.1	Very low	45.4	Very low	56 Å²	56	118 Å²	118	30%	0.299	59%	0.591	S	S	.	*	H	α-helix	trans	-74.7	-26.1	179.2	-74.9	-10.9	0	0	0	113.8	H6 T7 L8 R14	H6-N10 PolarHBondContact CE1-ND2 3.25Å; H6-N10 PolarHBondContact ND1-ND2 2.93Å; H6-N10 VanDerWaalsContact ND1-ND2 3.14Å; H6-N10 WeakPolarHBondContact O-CB 3.27Å; H6-N10 VanDerWaalsContact O-CG 3.23Å; H6-N10 PolarHBondContact O-N 2.81Å; H6-N10 VanDerWaalsContact O-N 3.09Å; H6-N10 PolarHBondContact O-ND2 3.26Å; T7-N10 PolarHBondContact O-N 3.44Å; L8-N10 VanDerWaalsContact C-N 3.32Å; L8-N10 PolarHBondContact O-N 3.13Å; N10-R14 WeakPolarHBondContact O-CB 3.36Å; N10-R14 PolarHBondContact O-N 3.19Å; N10-R14 PolarHBondContact O-NE 2.85Å
11	C	50.4	Low	44.7	Very low	66 Å²	66	116.8 Å²	116.8	45%	0.446	59%	0.594	S	S	.	*	H	α-helix	trans	-71.2	-41	169.3	-83	0	0	0	0	110.7	T7 L8 R14 A15	T7-C11 WeakPolarHBondContact O-CB 3.1Å; T7-C11 PolarHBondContact O-N 3.33Å; L8-C11 PolarHBondContact O-N 2.77Å; C11-R14 PolarHBondContact O-N 3.23Å; C11-A15 PolarHBondContact O-N 3.36Å
12	F	46.1	Very low	44.4	Very low	98 Å²	98	113.3 Å²	113.3	43%	0.43	58%	0.581	S	S	.	*	H	α-helix	trans	-67.4	-42.1	178.4	-143	-100	0	0	0	112.2	L8 I9 R14 A15 I16	L8-F12 PolarHBondContact O-N 2.78Å; I9-F12 PolarHBondContact O-N 3.38Å; F12-R14 PolarHBondContact O-N 3.26Å; F12-A15 PolarHBondContact O-N 3.11Å; F12-I16 HydrophobicContact CD1-CD1 3.56Å; F12-I16 HydrophobicContact CE1-CD1 3.52Å; F12-I16 WeakPolarHBondContact O-CG1 3.16Å; F12-I16 PolarHBondContact O-N 3.45Å
13	K	45.4	Very low	44.1	Very low	128 Å²	128	108.3 Å²	108.3	56%	0.557	57%	0.573	S	S	*	*	H	α-helix	trans	-60.5	-41	173.3	-79.9	-173	173.9	-173.4	0	112.9	I9 A15 I16 E17	I9-K13 PolarHBondContact O-N 3.41Å; K13-A15 VanDerWaalsContact C-N 3.32Å; K13-A15 PolarHBondContact O-N 3.04Å; K13-I16 PolarHBondContact O-N 3.03Å; K13-E17 PolarHBondContact O-N 3.4Å
14	R	46.4	Very low	43.5	Very low	187 Å²	187	110.8 Å²	110.8	71%	0.706	59%	0.588	S	S	*	*	H	α-helix	trans	-69.8	-25.6	179.3	-86.5	-175.7	-86.7	-167.8	-6.4	114.1	N10 C11 F12	N10-R14 WeakPolarHBondContact O-CB 3.36Å; N10-R14 PolarHBondContact O-N 3.19Å; N10-R14 PolarHBondContact O-NE 2.85Å; C11-R14 PolarHBondContact O-N 3.23Å; F12-R14 PolarHBondContact O-N 3.26Å
15	A	44.9	Very low	42.4	Very low	82 Å²	82	116.9 Å²	116.9	68%	0.678	61%	0.606	S	S	*	*	H	α-helix	trans	-79	-24.5	175.8	0	0	0	0	0	113	C11 F12 K13	C11-A15 PolarHBondContact O-N 3.36Å; F12-A15 PolarHBondContact O-N 3.11Å; K13-A15 VanDerWaalsContact C-N 3.32Å; K13-A15 PolarHBondContact O-N 3.04Å
16	I	49	Very low	41.8	Very low	87 Å²	87	121.3 Å²	121.3	45%	0.446	62%	0.624	S	S	.	*	H	α-helix	trans	-96.7	-23.8	-174.3	-64.4	177.1	0	0	0	112.6	F12 K13 P18	F12-I16 HydrophobicContact CD1-CD1 3.56Å; F12-I16 HydrophobicContact CE1-CD1 3.52Å; F12-I16 WeakPolarHBondContact O-CG1 3.16Å; F12-I16 PolarHBondContact O-N 3.45Å; K13-I16 PolarHBondContact O-N 3.03Å; I16-P18 WeakPolarHBondContact O-CD 3.3Å
17	E	39	Very low	41.1	Very low	133 Å²	133	121.1 Å²	121.1	62%	0.621	64%	0.636	S	S	*	*			trans	-118.3	73.2	-175.3	-66.4	179.1	176.7	0	0	114.1	K13 N19	K13-E17 PolarHBondContact O-N 3.4Å; E17-N19 PolarHBondContact O-N 3.39Å
18	P	38.1	Very low	39.8	Very low	97 Å²	97	123.9 Å²	123.9	63%	0.63	66%	0.658	S	S	*	*	S	Bend	trans	-83.8	104.2	153.2	31.9	-22.4	0	0	0	107.6	I16	I16-P18 WeakPolarHBondContact O-CD 3.3Å
19	N	40	Very low	39.2	Very low	149 Å²	149	127.1 Å²	127.1	80%	0.797	68%	0.68	S	S	*	*	S	Bend	trans	100	19.4	160.5	-47.9	-49.4	0	0	0	120.9	E17 S21	E17-N19 PolarHBondContact O-N 3.39Å; N19-S21 VanDerWaalsContact C-N 3.26Å; N19-S21 PolarHBondContact O-N 3.18Å; N19-S21 VanDerWaalsContact O-N 3.16Å
20	F	35.6	Very low	38.1	Very low	195 Å²	195	132 Å²	132	86%	0.855	70%	0.701	S	S	*	*			trans	-88.8	46.9	172.2	-128.9	-91.7	0	0	0	113.6
21	S	31	Very low	37.5	Very low	93 Å²	93	134.2 Å²	134.2	65%	0.65	72%	0.721	S	S	*	*			trans	-142	83.8	172.7	65.6	0	0	0	0	109.5	N19	N19-S21 VanDerWaalsContact C-N 3.26Å; N19-S21 PolarHBondContact O-N 3.18Å; N19-S21 VanDerWaalsContact O-N 3.16Å
22	N	32.9	Very low	36.5	Very low	171 Å²	171	136 Å²	136	91%	0.914	73%	0.734	S	S	*	*	S	Bend	trans	166.6	67	156.9	-84.9	-21.2	0	0	0	111.4
23	S	32.4	Very low	35.8	Very low	113 Å²	113	139.2 Å²	139.2	79%	0.79	75%	0.753	S	S	*	*			trans	-153.6	-16.2	167.4	-162.8	0	0	0	0	116	K25	S23-K25 PolarHBondContact O-N 3.37Å
24	L	32.2	Very low	35.1	Very low	170 Å²	170	138.9 Å²	138.9	89%	0.89	76%	0.761	S	S	*	*			trans	-97.1	66.3	-178.3	-65.2	168.3	0	0	0	112.1
25	K	31.2	Very low	34.4	Very low	194 Å²	194	135.4 Å²	135.4	84%	0.843	76%	0.761	S	S	*	*			trans	-144.1	132.1	161	-85.4	-170.2	179	179.7	0	109	S23	S23-K25 PolarHBondContact O-N 3.37Å
26	K	33.2	Very low	33.7	Very low	211 Å²	211	140.4 Å²	140.4	92%	0.917	77%	0.77	S	S	*	*			trans	83.3	122.2	-173.8	-51.8	173.5	-179.7	-177.6	0	111.3
27	S	32.2	Very low	32.7	Very low	118 Å²	118	144.5 Å²	144.5	83%	0.825	79%	0.788	S	S	*	*			cis	-159.5	134.2	31	46.6	0	0	0	0	110.9
28	S	28.3	Very low	32.5	Very low	111 Å²	111	147.3 Å²	147.3	78%	0.776	80%	0.801	S	S	*	*			trans	-89.6	125	165.1	50.1	0	0	0	0	110.7
29	T	34.5	Very low	32.3	Very low	129 Å²	129	149.5 Å²	149.5	79%	0.791	81%	0.807	S	S	*	*			trans	-177.2	121.5	137.2	16.7	0	0	0	0	111.2
30	Q	31.9	Very low	32.2	Very low	183 Å²	183	148.5 Å²	148.5	86%	0.855	81%	0.809	S	S	*	*			trans	24.6	138.3	136.2	-71.2	171.8	-9.9	0	0	118.4
31	S	32.1	Very low	32.4	Very low	104 Å²	104	145.9 Å²	145.9	73%	0.727	80%	0.802	S	S	*	*			cis	-175	148.6	29.8	41.7	0	0	0	0	111.8
32	S	29.9	Very low	32.4	Very low	103 Å²	103	149.8 Å²	149.8	72%	0.72	81%	0.811	S	S	*	*			trans	67.8	130.2	138	68.6	0	0	0	0	123.4
33	M	31.7	Very low	32.5	Very low	166 Å²	166	148.8 Å²	148.8	82%	0.818	80%	0.803	S	S	*	*			trans	113.4	102.1	144.1	-63.6	-155.1	143.1	0	0	117.2
34	T	29.9	Very low	32.7	Very low	120 Å²	120	148.9 Å²	148.9	74%	0.736	80%	0.803	S	S	*	*			trans	48.2	128.5	130.6	61.7	0	0	0	0	117.3
35	T	31.7	Very low	32.9	Very low	115 Å²	115	147.7 Å²	147.7	71%	0.706	80%	0.797	S	S	*	*			cis	-173.2	140.5	30.6	-17	0	0	0	0	107.1
36	E	30.8	Very low	33.3	Very low	186 Å²	186	145 Å²	145	87%	0.869	80%	0.797	S	S	*	*			trans	51.3	131	145.8	-72.9	175.5	165.6	0	0	124
37	Q	28.9	Very low	33.5	Very low	173 Å²	173	139.1 Å²	139.1	81%	0.808	78%	0.775	S	S	*	*			trans	-66.4	147.8	171.9	-61	156.2	-61.4	0	0	111.7
38	Q	33.3	Very low	34.1	Very low	192 Å²	192	138.1 Å²	138.1	90%	0.897	76%	0.764	S	S	*	*				179.5	142.6	118.5	-96.8	146	-8.2	0	0	113.6
39	N	34.7	Very low	35	Very low	143 Å²	143	145.1 Å²	145.1	77%	0.765	77%	0.773	S	S	*	*			trans	-53.2	155.4	-179.3	-75.2	-33.1	0	0	0	114.5	I41	N39-I41 PolarHBondContact O-N 3.48Å
40	P	37.9	Very low	35.5	Very low	128 Å²	128	141 Å²	141	83%	0.831	75%	0.75	S	S	*	*			trans	-70.5	105.3	170	29.6	-29.9	0	0	0	109.6
41	I	39.1	Very low	36.6	Very low	140 Å²	140	137.8 Å²	137.8	72%	0.718	75%	0.745	S	S	*	*			trans	-65.2	144.8	165.2	-67.1	160.9	0	0	0	108.5	N39 I43	N39-I41 PolarHBondContact O-N 3.48Å; I41-I43 WeakPolarHBondContact O-CG1 3.48Å; I41-I43 PolarHBondContact O-N 3.32Å
42	E	32.1	Very low	37.8	Very low	176 Å²	176	141.2 Å²	141.2	82%	0.822	75%	0.746	S	S	*	*			trans	-52.4	101.4	169.8	-70.7	-177	136.1	0	0	111.6	C44	E42-C44 VanDerWaalsContact C-N 3.29Å; E42-C44 PolarHBondContact O-N 2.6Å
43	I	34.5	Very low	38.8	Very low	149 Å²	149	139.8 Å²	139.8	76%	0.764	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	64.5	175.4	-59.6	162	0	0	0	109.2	I41	I41-I43 WeakPolarHBondContact O-CG1 3.48Å; I41-I43 PolarHBondContact O-N 3.32Å
44	C	36.4	Very low	40	Very low	116 Å²	116	136 Å²	136	78%	0.784	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.9	-22.1	169.5	-78.5	0	0	0	0	114.5	E42	E42-C44 VanDerWaalsContact C-N 3.29Å; E42-C44 PolarHBondContact O-N 2.6Å
45	D	36.1	Very low	41.1	Very low	144 Å²	144	134 Å²	134	77%	0.77	70%	0.696	S	S	*	*	S	Bend	trans	-112.2	9.3	-164.7	-72.6	-15	0	0	0	117.5
46	V	40.6	Very low	42.3	Very low	139 Å²	139	132.7 Å²	132.7	84%	0.842	68%	0.684	S	S	*	*	S	Bend	trans	-119.8	2.5	-172.7	-176	0	0	0	0	115.3
47	I	38	Very low	43.5	Very low	86 Å²	86	126.6 Å²	126.6	44%	0.441	66%	0.66	S	S	.	*			trans	-128.5	74.3	-170.5	-50	-179	0	0	0	112.9	M53	I47-M53 HydrophobicContact CG2-CE 3.18Å
48	T	43.4	Very low	44.6	Very low	98 Å²	98	120.4 Å²	120.4	60%	0.601	64%	0.635	S	S	*	*			trans	-153.2	72.6	167.2	39.1	0	0	0	0	112.1	I54	T48-I54 HydrophobicContact CG2-CG1 3.84Å
49	R	47.6	Very low	45.7	Very low	257 Å²	257	117.4 Å²	117.4	97%	0.97	62%	0.62	S	S	*	*	S	Bend	trans	-127.7	10.7	165.8	-76.1	-169.5	175.5	-178	-0	114.8
50	S	44.8	Very low	46.7	Very low	44 Å²	44	115.3 Å²	115.3	31%	0.308	61%	0.607	S	S	.	*			trans	-133.2	135.2	170.2	87	0	0	0	0	112	K52 M53 I54	S50-K52 PolarHBondContact O-N 2.98Å; S50-M53 PolarHBondContact O-N 3.24Å; S50-M53 VanDerWaalsContact O-N 3.08Å; S50-M53 VanDerWaalsContact OG-CB 3.3Å; S50-M53 WeakPolarHBondContact OG-CB 3.43Å; S50-M53 WeakPolarHBondContact OG-CG 3.15Å; S50-M53 PolarHBondContact OG-N 3.32Å; S50-I54 PolarHBondContact O-N 2.99Å
51	P	54.4	Low	47.4	Very low	114 Å²	114	113.6 Å²	113.6	74%	0.74	59%	0.594	S	S	*	*	H	α-helix	trans	-56.6	-32.1	177.7	-25.6	33.5	0	0	0	113.5	D55	P51-D55 PolarHBondContact O-N 3.06Å
52	K	58.5	Low	47.8	Very low	176 Å²	176	112.4 Å²	112.4	77%	0.765	59%	0.589	S	S	*	*	H	α-helix	trans	-72.7	-32.1	177.7	-71.9	-178.1	177.7	176	0	113.1	S50 I56	S50-K52 PolarHBondContact O-N 2.98Å; K52-I56 WeakPolarHBondContact O-CG1 3.32Å; K52-I56 PolarHBondContact O-N 2.9Å
53	M	50.3	Low	48.5	Very low	74 Å²	74	106.9 Å²	106.9	37%	0.365	58%	0.58	S	S	.	*	H	α-helix	trans	-73.9	-35.3	175.7	-75.2	-72.4	-72.9	0	0	111.5	I47 S50 D55 I56 T57	I47-M53 HydrophobicContact CG2-CE 3.18Å; S50-M53 PolarHBondContact O-N 3.24Å; S50-M53 VanDerWaalsContact O-N 3.08Å; S50-M53 VanDerWaalsContact OG-CB 3.3Å; S50-M53 WeakPolarHBondContact OG-CB 3.43Å; S50-M53 WeakPolarHBondContact OG-CG 3.15Å; S50-M53 PolarHBondContact OG-N 3.32Å; M53-D55 VanDerWaalsContact C-N 3.29Å; M53-D55 PolarHBondContact O-N 2.84Å; M53-I56 PolarHBondContact O-N 3.41Å; M53-T57 PolarHBondContact O-N 2.86Å; M53-T57 PolarHBondContact O-OG1 3.45Å
54	I	56.5	Low	48.9	Very low	86 Å²	86	104.8 Å²	104.8	44%	0.441	57%	0.57	S	S	.	*	H	α-helix	trans	-59.6	-41.4	175.8	-68.5	156.7	0	0	0	111.1	T48 S50 T57 S58	T48-I54 HydrophobicContact CG2-CG1 3.84Å; S50-I54 PolarHBondContact O-N 2.99Å; I54-T57 PolarHBondContact O-N 2.97Å; I54-S58 VanDerWaalsContact O-CB 3.29Å; I54-S58 WeakPolarHBondContact O-CB 3.41Å; I54-S58 PolarHBondContact O-N 3.09Å; I54-S58 PolarHBondContact O-OG 3.22Å
55	D	53.3	Low	49.1	Very low	78 Å²	78	103.5 Å²	103.5	42%	0.417	56%	0.563	S	S	.	*	H	α-helix	trans	-68.3	-37	178.9	-162.3	35.1	0	0	0	111.8	P51 M53 S58 K59	P51-D55 PolarHBondContact O-N 3.06Å; M53-D55 VanDerWaalsContact C-N 3.29Å; M53-D55 PolarHBondContact O-N 2.84Å; D55-S58 PolarHBondContact O-OG 2.91Å; D55-K59 WeakPolarHBondContact O-CB 3.34Å; D55-K59 VanDerWaalsContact O-CG 3.27Å; D55-K59 WeakPolarHBondContact O-CG 3.46Å; D55-K59 PolarHBondContact O-N 3.33Å; D55-K59 IonicContact OD1-NZ 2.74Å; D55-K59 IonicContact OD2-NZ 2.62Å; D55-K59 PolarHBondContact OD2-NZ 3.21Å
56	I	57.9	Low	49.2	Very low	88 Å²	88	105.7 Å²	105.7	45%	0.451	57%	0.568	S	S	.	*	H	α-helix	trans	-69	-45.6	174.4	-65.2	166.7	0	0	0	111	K52 M53 S58 K59 I60	K52-I56 WeakPolarHBondContact O-CG1 3.32Å; K52-I56 PolarHBondContact O-N 2.9Å; M53-I56 PolarHBondContact O-N 3.41Å; I56-S58 VanDerWaalsContact C-N 3.3Å; I56-S58 PolarHBondContact O-N 3.43Å; I56-K59 PolarHBondContact O-N 3.48Å; I56-I60 HydrophobicContact CG2-CD1 3.65Å; I56-I60 HydrophobicContact CG2-CG1 4.3Å; I56-I60 WeakPolarHBondContact O-CB 3.36Å; I56-I60 VanDerWaalsContact O-CG1 3.26Å; I56-I60 WeakPolarHBondContact O-CG1 3.19Å; I56-I60 PolarHBondContact O-N 2.92Å
57	T	54.8	Low	49	Very low	57 Å²	57	107.3 Å²	107.3	35%	0.35	56%	0.564	S	S	.	*	H	α-helix	trans	-60.7	-42.6	175.7	-48.7	0	0	0	0	110.3	M53 I54 K59 I60 V61	M53-T57 PolarHBondContact O-N 2.86Å; M53-T57 PolarHBondContact O-OG1 3.45Å; I54-T57 PolarHBondContact O-N 2.97Å; T57-K59 PolarHBondContact O-N 2.9Å; T57-I60 PolarHBondContact O-N 2.86Å; T57-V61 HydrophobicContact CG2-CG2 4.37Å; T57-V61 WeakPolarHBondContact O-CB 3.49Å; T57-V61 WeakPolarHBondContact O-CG2 3.5Å; T57-V61 PolarHBondContact O-N 3.05Å
58	S	52.4	Low	48.9	Very low	43 Å²	43	111.1 Å²	111.1	30%	0.301	58%	0.58	S	S	.	*	H	α-helix	trans	-65	-35.9	176.1	81.4	0	0	0	0	112.8	I54 D55 I56 N62	I54-S58 VanDerWaalsContact O-CB 3.29Å; I54-S58 WeakPolarHBondContact O-CB 3.41Å; I54-S58 PolarHBondContact O-N 3.09Å; I54-S58 PolarHBondContact O-OG 3.22Å; D55-S58 PolarHBondContact O-OG 2.91Å; I56-S58 VanDerWaalsContact C-N 3.3Å; I56-S58 PolarHBondContact O-N 3.43Å; S58-N62 WeakPolarHBondContact O-CB 3.4Å; S58-N62 VanDerWaalsContact O-CG 3.23Å; S58-N62 PolarHBondContact O-N 2.94Å; S58-N62 PolarHBondContact O-ND2 2.77Å
59	K	57.1	Low	48.7	Very low	130 Å²	130	114.3 Å²	114.3	57%	0.565	59%	0.593	S	S	*	*	H	α-helix	trans	-73.1	-32.1	174.6	-76.9	167	178.2	159.6	0	112.9	D55 I56 T57 G63	D55-K59 WeakPolarHBondContact O-CB 3.34Å; D55-K59 VanDerWaalsContact O-CG 3.27Å; D55-K59 WeakPolarHBondContact O-CG 3.46Å; D55-K59 PolarHBondContact O-N 3.33Å; D55-K59 IonicContact OD1-NZ 2.74Å; D55-K59 IonicContact OD2-NZ 2.62Å; D55-K59 PolarHBondContact OD2-NZ 3.21Å; I56-K59 PolarHBondContact O-N 3.48Å; T57-K59 PolarHBondContact O-N 2.9Å; K59-G63 WeakPolarHBondContact O-CA 3.32Å; K59-G63 PolarHBondContact O-N 3.13Å
60	I	55.6	Low	48.7	Very low	99 Å²	99	108.1 Å²	108.1	51%	0.508	58%	0.578	S	S	.	*	H	α-helix	trans	-73.5	-38.3	174.1	-68.5	168.7	0	0	0	110.7	I56 T57 N64	I56-I60 HydrophobicContact CG2-CD1 3.65Å; I56-I60 HydrophobicContact CG2-CG1 4.3Å; I56-I60 WeakPolarHBondContact O-CB 3.36Å; I56-I60 VanDerWaalsContact O-CG1 3.26Å; I56-I60 WeakPolarHBondContact O-CG1 3.19Å; I56-I60 PolarHBondContact O-N 2.92Å; T57-I60 PolarHBondContact O-N 2.86Å; I60-N64 WeakPolarHBondContact O-CB 3.2Å; I60-N64 PolarHBondContact O-N 2.83Å; I60-N64 PolarHBondContact O-ND2 3.12Å
61	V	51.1	Low	49.4	Very low	91 Å²	91	114.4 Å²	114.4	55%	0.552	61%	0.605	S	S	*	*	H	α-helix	trans	-70.4	-46.2	176.2	171.8	0	0	0	0	110.9	T57 S65	T57-V61 HydrophobicContact CG2-CG2 4.37Å; T57-V61 WeakPolarHBondContact O-CB 3.49Å; T57-V61 WeakPolarHBondContact O-CG2 3.5Å; T57-V61 PolarHBondContact O-N 3.05Å; V61-S65 PolarHBondContact O-OG 2.74Å
62	N	48.4	Very low	50.2	Low	115 Å²	115	112.7 Å²	112.7	62%	0.615	59%	0.592	S	S	*	*	H	α-helix	trans	-81.5	-28.3	-178.8	-66.4	-25.8	0	0	0	113.1	S58 S65	S58-N62 WeakPolarHBondContact O-CB 3.4Å; S58-N62 VanDerWaalsContact O-CG 3.23Å; S58-N62 PolarHBondContact O-N 2.94Å; S58-N62 PolarHBondContact O-ND2 2.77Å; N62-S65 WeakPolarHBondContact O-CB 3.49Å; N62-S65 PolarHBondContact O-N 3.33Å
63	G	46	Very low	51.3	Low	61 Å²	61	107.2 Å²	107.2	63%	0.629	57%	0.574	S	S	*	*	H	α-helix	trans	-78.6	-15.8	179.2	0	0	0	0	0	114.9	K59	K59-G63 WeakPolarHBondContact O-CA 3.32Å; K59-G63 PolarHBondContact O-N 3.13Å
64	N	44.2	Very low	53.2	Low	104 Å²	104	108.8 Å²	108.8	56%	0.556	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	9.1	171.6	-83.5	-31.9	0	0	0	113.5	I60 Q66 K67	I60-N64 WeakPolarHBondContact O-CB 3.2Å; I60-N64 PolarHBondContact O-N 2.83Å; I60-N64 PolarHBondContact O-ND2 3.12Å; N64-Q66 PolarHBondContact O-N 3.07Å; N64-Q66 VanDerWaalsContact O-N 3.12Å; N64-K67 PolarHBondContact O-N 3.05Å; N64-K67 VanDerWaalsContact O-N 3.12Å
65	S	40	Very low	54.9	Low	90 Å²	90	105.9 Å²	105.9	63%	0.629	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	19.9	-178.9	-67.2	0	0	0	0	114.6	V61 N62	V61-S65 PolarHBondContact O-OG 2.74Å; N62-S65 WeakPolarHBondContact O-CB 3.49Å; N62-S65 PolarHBondContact O-N 3.33Å
66	Q	37.7	Very low	56.9	Low	190 Å²	190	102.5 Å²	102.5	89%	0.888	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	28.1	155.4	-74.4	-156.8	-2.2	0	0	112.7	N64 Q68	N64-Q66 PolarHBondContact O-N 3.07Å; N64-Q66 VanDerWaalsContact O-N 3.12Å; Q66-Q68 PolarHBondContact O-N 2.63Å; Q66-Q68 VanDerWaalsContact O-N 3.14Å
67	K	37.9	Very low	58.7	Low	172 Å²	172	98.3 Å²	98.3	75%	0.748	53%	0.527	S	S	*	.	S	Bend	trans	-68.7	106	151.7	-83.9	-178.1	177.1	177.7	0	106.9	N64 N69	N64-K67 PolarHBondContact O-N 3.05Å; N64-K67 VanDerWaalsContact O-N 3.12Å; K67-N69 PolarHBondContact O-N 3.43Å
68	Q	34.7	Very low	60.7	Low	166 Å²	166	97.7 Å²	97.7	78%	0.776	52%	0.519	S	S	*	.			trans	-41.8	115.2	157.8	-75.6	168.7	-7.5	0	0	106.5	Q66 I70	Q66-Q68 PolarHBondContact O-N 2.63Å; Q66-Q68 VanDerWaalsContact O-N 3.14Å; Q68-I70 HydrophobicContact CB-CG1 3.98Å; Q68-I70 PolarHBondContact O-N 3.09Å
69	N	38.5	Very low	62.9	Low	166 Å²	166	95.6 Å²	95.6	89%	0.888	51%	0.505	S	S	*	.			trans	-63.5	79.7	161.1	-95.8	-24	0	0	0	105.3	K67 M71	K67-N69 PolarHBondContact O-N 3.43Å; N69-M71 PolarHBondContact O-N 2.94Å
70	I	49.2	Very low	64.8	Low	126 Å²	126	90.4 Å²	90.4	65%	0.646	48%	0.483	S	S	*	.			trans	-63.8	96.1	165.3	-62	171.1	0	0	0	102.5	Q68 T72	Q68-I70 HydrophobicContact CB-CG1 3.98Å; Q68-I70 PolarHBondContact O-N 3.09Å; I70-T72 PolarHBondContact O-N 3.45Å; I70-T72 PolarHBondContact O-OG1 3.07Å
71	M	58.2	Low	66.9	Low	176 Å²	176	85.7 Å²	85.7	87%	0.867	46%	0.458	S	S	*	.			trans	-64.6	89.3	-179.9	-164.9	-177.4	-165.7	0	0	106.6	N69 T73	N69-M71 PolarHBondContact O-N 2.94Å; M71-T73 PolarHBondContact O-N 3.06Å
72	T	71.5	Confident	69	Low	78 Å²	78	82.2 Å²	82.2	48%	0.479	44%	0.436	S	S	.	.			trans	-61.3	114.7	-176	-52.1	0	0	0	0	107.6	I70 I74 V186	I70-T72 PolarHBondContact O-N 3.45Å; I70-T72 PolarHBondContact O-OG1 3.07Å; T72-I74 PolarHBondContact O-N 3.48Å; T72-I74 VanDerWaalsContact O-N 3.08Å; T72-V186 HydrophobicContact CG2-CG1 3.27Å
73	T	82.2	Confident	71.3	Confident	62 Å²	62	76.8 Å²	76.8	38%	0.38	41%	0.407	S	S	.	.			trans	-67.6	114	-174.5	-58.6	0	0	0	0	109.3	M71 R75 G187	M71-T73 PolarHBondContact O-N 3.06Å; T73-R75 HydrophobicContact CG2-CG 4.36Å; T73-G187 PolarHBondContact O-N 3.26Å
74	I	89.1	Confident	73.7	Confident	107 Å²	107	75 Å²	75	55%	0.549	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	127.9	170.6	-59.1	176	0	0	0	107.8	T72	T72-I74 PolarHBondContact O-N 3.48Å; T72-I74 VanDerWaalsContact O-N 3.08Å
75	R	92.6	Very high	76	Confident	25 Å²	25	70.5 Å²	70.5	9%	0.094	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	132.2	171.2	-58.5	-64.8	-179.1	90.8	4.7	107.8	T73 K184 A185 Q188 S189 T190 V192 L230 G232	T73-R75 HydrophobicContact CG2-CG 4.36Å; R75-K184 CarbonylContact O-C 3.58Å; R75-K184 VanDerWaalsContact O-CA 3.23Å; R75-K184 WeakPolarHBondContact O-CA 3.44Å; R75-A185 PolarHBondContact N-O 3.2Å; R75-A185 PolarHBondContact O-N 2.81Å; R75-Q188 VanDerWaalsContact CZ-O 3.31Å; R75-Q188 PolarHBondContact NE-O 2.78Å; R75-Q188 PolarHBondContact NH2-O 3.44Å; R75-S189 PolarHBondContact NH1-O 3.34Å; R75-S189 PolarHBondContact NH2-O 2.64Å; R75-T190 WeakPolarHBondContact CG-O 3.5Å; R75-T190 PolarHBondContact NH1-O 3.35Å; R75-T190 VanDerWaalsContact NH1-O 3.1Å; R75-V192 HydrophobicContact CB-CG2 4.38Å; R75-L230 WeakPolarHBondContact CA-O 3.47Å; R75-G232 VanDerWaalsContact CZ-CA 3.44Å
76	S	94.8	Very high	78.5	Confident	6 Å²	6	67 Å²	67	4%	0.042	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	143.1	-179.9	-167.6	0	0	0	0	109.3	Q182 V183 K229 L230	S76-Q182 PolarHBondContact OG-NE2 3.24Å; S76-V183 CarbonylContact C-O 3.54Å; S76-V183 VanDerWaalsContact CA-O 3.31Å; S76-V183 WeakPolarHBondContact CA-O 3.31Å; S76-K229 CarbonylContact O-C 3.46Å; S76-K229 VanDerWaalsContact O-CA 3.26Å; S76-K229 WeakPolarHBondContact O-CA 3.37Å; S76-L230 PolarHBondContact N-O 2.98Å; S76-L230 PolarHBondContact O-N 3.21Å
77	A	97	Very high	81	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	142.8	171.8	0	0	0	0	0	110.7	Q182 V183 V192 E193 A196 L226 E228	A77-Q182 WeakPolarHBondContact O-CA 3.44Å; A77-Q182 PolarHBondContact O-NE2 3.28Å; A77-V183 PolarHBondContact N-O 3.01Å; A77-V183 PolarHBondContact O-N 2.67Å; A77-V192 HydrophobicContact CB-CG2 3.86Å; A77-V192 WeakPolarHBondContact CB-O 3.23Å; A77-E193 HydrophobicContact CB-CG 4.45Å; A77-A196 HydrophobicContact CB-CB 3.91Å; A77-L226 HydrophobicContact CB-CD1 4.13Å; A77-E228 VanDerWaalsContact CA-O 3.32Å; A77-E228 WeakPolarHBondContact CA-O 3.48Å
78	K	97.5	Very high	83.5	Confident	44 Å²	44	60.1 Å²	60.1	19%	0.191	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	131.9	176.6	-166.7	177.3	179.3	-179	0	108.9	Q180 S181 Q182 L226 L227 E228	K78-Q180 HydrophobicContact CG-CG 4.15Å; K78-S181 VanDerWaalsContact CA-O 3.26Å; K78-S181 WeakPolarHBondContact CA-O 3.49Å; K78-Q182 VanDerWaalsContact CB-OE1 3.26Å; K78-Q182 VanDerWaalsContact CG-OE1 3.22Å; K78-L226 WeakPolarHBondContact O-CD1 3.45Å; K78-L227 HydrophobicContact CB-CB 4.2Å; K78-L227 HydrophobicContact CD-CB 4.4Å; K78-L227 HydrophobicContact CD-CD1 4.21Å; K78-L227 HydrophobicContact CG-CB 4.22Å; K78-L227 HydrophobicContact CG-CD1 4.17Å; K78-L227 PolarHBondContact O-N 2.85Å; K78-E228 HydrophobicContact CB-CB 4.11Å; K78-E228 HydrophobicContact CB-CG 3.4Å; K78-E228 VanDerWaalsContact CB-CG 3.4Å; K78-E228 HydrophobicContact CD-CG 4.46Å; K78-E228 PolarHBondContact N-O 2.84Å; K78-E228 PolarHBondContact O-N 3.28Å
79	A	98.1	Very high	86.2	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	158.2	178.6	0	0	0	0	0	110.3	Q180 S181 A196 L197 V200 E225	A79-Q180 CarbonylContact O-C 3.46Å; A79-Q180 VanDerWaalsContact O-CA 3.32Å; A79-Q180 WeakPolarHBondContact O-CA 3.34Å; A79-Q180 WeakPolarHBondContact O-CG 3.32Å; A79-S181 PolarHBondContact N-O 2.6Å; A79-S181 PolarHBondContact O-N 3.3Å; A79-A196 HydrophobicContact CB-CB 3.83Å; A79-L197 HydrophobicContact CB-CD2 4.03Å; A79-L197 HydrophobicContact CB-CG 4.31Å; A79-V200 HydrophobicContact CB-CG1 4.15Å; A79-V200 HydrophobicContact CB-CG2 3.97Å; A79-E225 CarbonylContact C-O 3.58Å; A79-E225 WeakPolarHBondContact CA-O 3.48Å; A79-E225 WeakPolarHBondContact CB-O 3.5Å
80	Q	97.5	Very high	88.6	Confident	21 Å²	21	47.8 Å²	47.8	10%	0.098	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	164.4	174.9	72.3	177.7	17.2	0	0	112.4	F82 H178 I179 I224 E225 L227	Q80-F82 HydrophobicContact CG-CE2 4.49Å; Q80-H178 PolarHBondContact OE1-NE2 3.34Å; Q80-I179 CarbonylContact C-O 3.5Å; Q80-I179 WeakPolarHBondContact CA-O 3.48Å; Q80-I224 WeakPolarHBondContact O-CA 3.44Å; Q80-E225 HydrophobicContact CG-CG 3.68Å; Q80-E225 PolarHBondContact N-O 3.44Å; Q80-E225 PolarHBondContact NE2-OE1 3.18Å; Q80-E225 PolarHBondContact O-N 2.94Å; Q80-L227 HydrophobicContact CB-CD1 3.95Å; Q80-L227 HydrophobicContact CB-CG 4.16Å; Q80-L227 VanDerWaalsContact CD-CD2 3.47Å; Q80-L227 HydrophobicContact CG-CD1 4.08Å; Q80-L227 HydrophobicContact CG-CD2 3.79Å; Q80-L227 HydrophobicContact CG-CG 3.88Å
81	V	97.9	Very high	90.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	147.9	169.5	61.5	0	0	0	0	109.3	I179 V200 A204 I221 E222 I224	V81-I179 HydrophobicContact CG1-CB 3.67Å; V81-I179 HydrophobicContact CG1-CD1 4.2Å; V81-I179 HydrophobicContact CG1-CG1 4.29Å; V81-I179 HydrophobicContact CG1-CG2 4.38Å; V81-I179 PolarHBondContact N-O 2.96Å; V81-I179 PolarHBondContact O-N 2.86Å; V81-V200 HydrophobicContact CB-CB 4.3Å; V81-V200 HydrophobicContact CG1-CB 3.78Å; V81-V200 HydrophobicContact CG1-CG2 4.5Å; V81-A204 HydrophobicContact CG1-CB 3.94Å; V81-A204 HydrophobicContact CG2-CB 4.13Å; V81-I221 HydrophobicContact CG2-CG2 3.55Å; V81-E222 WeakPolarHBondContact CG2-O 3.14Å; V81-I224 HydrophobicContact CB-CG1 3.92Å; V81-I224 HydrophobicContact CG2-CD1 4.37Å; V81-I224 HydrophobicContact CG2-CG1 3.43Å; V81-I224 VanDerWaalsContact CG2-CG1 3.43Å
82	F	96.7	Very high	91.8	Very high	18 Å²	18	40.7 Å²	40.7	8%	0.079	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	145.5	171.5	-68.8	-88.9	0	0	0	110.4	Q80 K176 I177 H178 E222 K223	Q80-F82 HydrophobicContact CG-CE2 4.49Å; F82-K176 HydrophobicContact CB-CD 4.17Å; F82-K176 HydrophobicContact CD1-CB 4.18Å; F82-K176 HydrophobicContact CD1-CD 4.35Å; F82-I177 CarbonylContact C-O 3.54Å; F82-I177 WeakPolarHBondContact CA-O 3.42Å; F82-H178 HydrophobicContact CD1-CB 4.1Å; F82-H178 AromaticContact CD1-CD2 4Å; F82-H178 HydrophobicContact CE1-CB 3.92Å; F82-H178 AromaticContact CE1-CD2 3.52Å; F82-H178 AromaticContact CE1-CG 3.82Å; F82-H178 AromaticContact CZ-CD2 3.55Å; F82-H178 AromaticContact CZ-NE2 3.99Å; F82-E222 HydrophobicContact CB-CG 4.06Å; F82-E222 PolarHBondContact N-O 2.83Å; F82-E222 PolarHBondContact O-N 3.25Å; F82-E222 VanDerWaalsContact O-O 3.04Å; F82-K223 HydrophobicContact CD2-CB 4.11Å; F82-K223 HydrophobicContact CD2-CD 4.17Å
83	I	97	Very high	92.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	111	174.1	-48.6	172.8	0	0	0	107.6	I85 K176 I177 I179 A204 V207 I219 I220 I221	I83-I85 HydrophobicContact CG2-CG2 4.24Å; I83-K176 WeakPolarHBondContact O-CA 3.45Å; I83-K176 WeakPolarHBondContact O-CB 3.34Å; I83-I177 HydrophobicContact CB-CB 4.16Å; I83-I177 HydrophobicContact CD1-CB 4.49Å; I83-I177 HydrophobicContact CD1-CG2 4.37Å; I83-I177 PolarHBondContact N-O 2.83Å; I83-I177 PolarHBondContact O-N 2.95Å; I83-I179 HydrophobicContact CD1-CD1 3.88Å; I83-A204 HydrophobicContact CD1-CB 3.89Å; I83-A204 HydrophobicContact CG1-CB 4.24Å; I83-V207 HydrophobicContact CD1-CB 3.63Å; I83-V207 HydrophobicContact CD1-CG1 3.59Å; I83-V207 HydrophobicContact CD1-CG2 4.16Å; I83-I219 HydrophobicContact CG2-CG2 3.56Å; I83-I220 CarbonylContact C-O 3.53Å; I83-I220 WeakPolarHBondContact CA-O 3.3Å; I83-I221 HydrophobicContact CG1-CG1 4.48Å
84	C	95.4	Very high	92.4	Very high	25 Å²	25	39.1 Å²	39.1	17%	0.169	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	129.9	168.8	-56.9	0	0	0	0	108.5	K176 I219 I220	C84-K176 WeakPolarHBondContact SG-CE 3.14Å; C84-K176 PolarHBondContact SG-NZ 3.11Å; C84-K176 VanDerWaalsContact SG-NZ 3.43Å; C84-I219 WeakPolarHBondContact O-CA 3.47Å; C84-I220 HydrophobicContact CB-CB 4.14Å; C84-I220 PolarHBondContact N-O 3.42Å; C84-I220 PolarHBondContact O-N 3.23Å
85	I	93.3	Very high	92	Very high	8 Å²	8	37.6 Å²	37.6	4%	0.041	18%	0.178	C	C	.	.			trans	-120.3	149	179.6	53.1	166.5	0	0	0	109.1	I83 I89 K90 I93 Y172 I177 L211	I83-I85 HydrophobicContact CG2-CG2 4.24Å; I85-I89 HydrophobicContact CB-CB 4.06Å; I85-I89 HydrophobicContact CB-CD1 4.42Å; I85-I89 HydrophobicContact CB-CG2 3.99Å; I85-I89 HydrophobicContact CD1-CB 4.26Å; I85-I89 HydrophobicContact CD1-CG2 3.76Å; I85-I89 HydrophobicContact CG1-CG2 4.47Å; I85-I89 HydrophobicContact CG2-CD1 4.5Å; I85-I89 HydrophobicContact CG2-CG2 4.12Å; I85-K90 HydrophobicContact CD1-CB 4.47Å; I85-K90 HydrophobicContact CD1-CG 3.72Å; I85-K90 HydrophobicContact CG1-CG 3.78Å; I85-K90 VanDerWaalsContact O-CE 3.3Å; I85-K90 WeakPolarHBondContact O-CE 3.21Å; I85-I93 HydrophobicContact CD1-CD1 3.46Å; I85-I93 VanDerWaalsContact CD1-CD1 3.46Å; I85-Y172 HydrophobicContact CD1-CE2 3.94Å; I85-I177 HydrophobicContact CG2-CD1 4.05Å; I85-L211 HydrophobicContact CG2-CD1 4.4Å
86	D	91.6	Very high	91.2	Very high	18 Å²	18	37.7 Å²	37.7	10%	0.096	18%	0.18	C	C	.	.			trans	-69.1	162.2	175.9	73.9	64.6	0	0	0	111.9	Y88 I89 K90 K216 G217	D86-Y88 PolarHBondContact O-N 2.97Å; D86-Y88 WeakPolarHBondContact OD1-CA 3.37Å; D86-Y88 WeakPolarHBondContact OD1-CB 3.33Å; D86-Y88 PolarHBondContact OD1-N 2.84Å; D86-I89 PolarHBondContact O-N 2.68Å; D86-I89 VanDerWaalsContact O-N 3.09Å; D86-I89 PolarHBondContact OD1-N 2.92Å; D86-K90 WeakPolarHBondContact O-CG 3.4Å; D86-K90 PolarHBondContact O-N 3.23Å; D86-K216 PolarHBondContact OD2-N 3.28Å; D86-G217 PolarHBondContact OD2-N 2.94Å
87	D	90.4	Very high	89.9	Confident	116 Å²	116	38.8 Å²	38.8	62%	0.62	19%	0.187	S	C	*	.	H	α-helix	trans	-64.3	-25.3	-174.7	-62.7	-32.2	0	0	0	113.4	K90 Q91	D87-K90 PolarHBondContact O-N 2.99Å; D87-K90 IonicContact OD1-NZ 3.92Å; D87-K90 PolarHBondContact OD1-NZ 2.82Å; D87-Q91 WeakPolarHBondContact O-CB 3.3Å; D87-Q91 PolarHBondContact O-N 2.92Å
88	Y	91	Very high	88	Confident	101 Å²	101	42.2 Å²	42.2	40%	0.396	21%	0.205	S	C	.	.	H	α-helix	trans	-68.9	-41.9	174.1	178.6	-95.6	0	0	0	111.1	D86 Q91 F92 L214 K216	D86-Y88 PolarHBondContact O-N 2.97Å; D86-Y88 WeakPolarHBondContact OD1-CA 3.37Å; D86-Y88 WeakPolarHBondContact OD1-CB 3.33Å; D86-Y88 PolarHBondContact OD1-N 2.84Å; Y88-Q91 PolarHBondContact O-N 2.86Å; Y88-F92 WeakPolarHBondContact O-CB 3.36Å; Y88-F92 PolarHBondContact O-N 2.98Å; Y88-L214 VanDerWaalsContact CD1-O 3.23Å; Y88-L214 WeakPolarHBondContact CD1-O 3.34Å; Y88-L214 VanDerWaalsContact CE1-O 3.31Å; Y88-L214 WeakPolarHBondContact CE1-O 3.16Å; Y88-K216 HydrophobicContact CD1-CD 3.98Å; Y88-K216 HydrophobicContact CD1-CG 3.97Å; Y88-K216 HydrophobicContact CD2-CD 3.73Å; Y88-K216 VanDerWaalsContact CD2-NZ 3.32Å; Y88-K216 HydrophobicContact CE1-CD 4.38Å; Y88-K216 HydrophobicContact CE1-CG 4.46Å; Y88-K216 HydrophobicContact CE2-CD 4.15Å; Y88-K216 VanDerWaalsContact CE2-CE 3.46Å; Y88-K216 HydrophobicContact CG-CD 3.63Å; Y88-K216 HydrophobicContact CG-CG 4.03Å
89	I	90.5	Very high	86	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-67.1	-39.5	173.2	-59.3	175.1	0	0	0	110.4	I85 D86 Q91 F92 I93 L211 Q215 I219	I85-I89 HydrophobicContact CB-CB 4.06Å; I85-I89 HydrophobicContact CB-CD1 4.42Å; I85-I89 HydrophobicContact CB-CG2 3.99Å; I85-I89 HydrophobicContact CD1-CB 4.26Å; I85-I89 HydrophobicContact CD1-CG2 3.76Å; I85-I89 HydrophobicContact CG1-CG2 4.47Å; I85-I89 HydrophobicContact CG2-CD1 4.5Å; I85-I89 HydrophobicContact CG2-CG2 4.12Å; D86-I89 PolarHBondContact O-N 2.68Å; D86-I89 VanDerWaalsContact O-N 3.09Å; D86-I89 PolarHBondContact OD1-N 2.92Å; I89-Q91 VanDerWaalsContact C-N 3.34Å; I89-Q91 PolarHBondContact O-N 3.39Å; I89-F92 WeakPolarHBondContact O-CB 3.42Å; I89-F92 PolarHBondContact O-N 3.24Å; I89-I93 HydrophobicContact CG2-CD1 4.02Å; I89-I93 HydrophobicContact CG2-CG1 4.36Å; I89-I93 WeakPolarHBondContact O-CG1 3.36Å; I89-I93 PolarHBondContact O-N 3.44Å; I89-L211 HydrophobicContact CD1-CB 4.38Å; I89-L211 HydrophobicContact CG2-CD1 4.14Å; I89-L211 HydrophobicContact CG2-CD2 4.5Å; I89-Q215 HydrophobicContact CD1-CB 4.18Å; I89-I219 HydrophobicContact CD1-CD1 3.73Å; I89-I219 HydrophobicContact CD1-CG1 3.85Å
90	K	88.5	Confident	83.7	Confident	73 Å²	73	48.4 Å²	48.4	32%	0.317	24%	0.238	S	C	.	.	H	α-helix	trans	-57.9	-47.1	174.6	-65.3	-178.1	-166.5	153.6	0	111.4	I85 D86 D87 F92 I93 H94	I85-K90 HydrophobicContact CD1-CB 4.47Å; I85-K90 HydrophobicContact CD1-CG 3.72Å; I85-K90 HydrophobicContact CG1-CG 3.78Å; I85-K90 VanDerWaalsContact O-CE 3.3Å; I85-K90 WeakPolarHBondContact O-CE 3.21Å; D86-K90 WeakPolarHBondContact O-CG 3.4Å; D86-K90 PolarHBondContact O-N 3.23Å; D87-K90 PolarHBondContact O-N 2.99Å; D87-K90 IonicContact OD1-NZ 3.92Å; D87-K90 PolarHBondContact OD1-NZ 2.82Å; K90-F92 VanDerWaalsContact C-N 3.34Å; K90-F92 PolarHBondContact O-N 2.93Å; K90-I93 PolarHBondContact O-N 2.86Å; K90-H94 WeakPolarHBondContact O-CB 3.46Å; K90-H94 PolarHBondContact O-N 3.05Å
91	Q	86.8	Confident	81.4	Confident	103 Å²	103	51.8 Å²	51.8	48%	0.481	26%	0.257	S	S	.	.	H	α-helix	trans	-63.6	-40	176.8	-171	64.7	52.4	0	0	111.9	D87 Y88 I89 H94 N95	D87-Q91 WeakPolarHBondContact O-CB 3.3Å; D87-Q91 PolarHBondContact O-N 2.92Å; Y88-Q91 PolarHBondContact O-N 2.86Å; I89-Q91 VanDerWaalsContact C-N 3.34Å; I89-Q91 PolarHBondContact O-N 3.39Å; Q91-H94 PolarHBondContact O-N 2.89Å; Q91-N95 PolarHBondContact NE2-OD1 3.23Å; Q91-N95 WeakPolarHBondContact O-CB 3.48Å; Q91-N95 PolarHBondContact O-N 2.84Å; Q91-N95 PolarHBondContact O-OD1 3.19Å
92	F	87.6	Confident	78.9	Confident	50 Å²	50	58.1 Å²	58.1	22%	0.219	29%	0.291	C	S	.	.	H	α-helix	trans	-61.3	-43.3	176.6	177.4	-99.8	0	0	0	112.2	Y88 I89 K90 Q96 L129 L130 T131 L214	Y88-F92 WeakPolarHBondContact O-CB 3.36Å; Y88-F92 PolarHBondContact O-N 2.98Å; I89-F92 WeakPolarHBondContact O-CB 3.42Å; I89-F92 PolarHBondContact O-N 3.24Å; K90-F92 VanDerWaalsContact C-N 3.34Å; K90-F92 PolarHBondContact O-N 2.93Å; F92-Q96 PolarHBondContact O-N 3.18Å; F92-L129 HydrophobicContact CD1-CD1 4.13Å; F92-L129 HydrophobicContact CE1-CD1 3.9Å; F92-L130 VanDerWaalsContact CZ-O 3.3Å; F92-L130 WeakPolarHBondContact CZ-O 3.43Å; F92-T131 HydrophobicContact CE1-CG2 4.11Å; F92-T131 HydrophobicContact CZ-CG2 4.42Å; F92-L214 HydrophobicContact CD1-CD1 3.79Å; F92-L214 HydrophobicContact CE1-CD1 3.43Å; F92-L214 VanDerWaalsContact CE1-CD1 3.43Å; F92-L214 HydrophobicContact CE2-CD1 4.29Å; F92-L214 HydrophobicContact CG-CD1 4.33Å; F92-L214 HydrophobicContact CZ-CD1 3.71Å
93	I	85.1	Confident	76.5	Confident	5 Å²	5	63.8 Å²	63.8	3%	0.026	32%	0.322	C	S	.	.	H	α-helix	trans	-63.6	-51.7	174.6	-68.1	171.5	0	0	0	109.8	I85 I89 K90 N95 Q96 C97 L126 L129 I177	I85-I93 HydrophobicContact CD1-CD1 3.46Å; I85-I93 VanDerWaalsContact CD1-CD1 3.46Å; I89-I93 HydrophobicContact CG2-CD1 4.02Å; I89-I93 HydrophobicContact CG2-CG1 4.36Å; I89-I93 WeakPolarHBondContact O-CG1 3.36Å; I89-I93 PolarHBondContact O-N 3.44Å; K90-I93 PolarHBondContact O-N 2.86Å; I93-N95 VanDerWaalsContact C-N 3.28Å; I93-N95 PolarHBondContact O-N 2.79Å; I93-Q96 WeakPolarHBondContact O-CA 3.5Å; I93-Q96 WeakPolarHBondContact O-CB 3.35Å; I93-Q96 PolarHBondContact O-N 3.02Å; I93-C97 PolarHBondContact O-N 2.55Å; I93-C97 PolarHBondContact O-SG 2.98Å; I93-L126 HydrophobicContact CG2-CD1 3.39Å; I93-L129 HydrophobicContact CD1-CD2 4.09Å; I93-L129 HydrophobicContact CG1-CD1 3.77Å; I93-L129 HydrophobicContact CG1-CD2 3.93Å; I93-I177 HydrophobicContact CD1-CD1 4.37Å; I93-I177 HydrophobicContact CD1-CG1 4.47Å
94	H	81.2	Confident	74.1	Confident	101 Å²	101	66.2 Å²	66.2	47%	0.468	34%	0.339	S	S	.	.	H	α-helix	trans	-53.5	-44.4	179.8	-177.1	-89.1	0	0	0	112.5	K90 Q91 Q96 C97 L98	K90-H94 WeakPolarHBondContact O-CB 3.46Å; K90-H94 PolarHBondContact O-N 3.05Å; Q91-H94 PolarHBondContact O-N 2.89Å; H94-Q96 VanDerWaalsContact C-N 3.26Å; H94-Q96 PolarHBondContact O-N 3.41Å; H94-C97 WeakPolarHBondContact O-CB 3.42Å; H94-C97 PolarHBondContact O-N 2.98Å; H94-L98 PolarHBondContact O-N 2.86Å
95	N	80.9	Confident	71.2	Confident	75 Å²	75	73.1 Å²	73.1	40%	0.401	37%	0.374	S	S	.	.	H	α-helix	trans	-64.5	-29.8	178	-69.6	-5.8	0	0	0	112.9	Q91 I93 I99	Q91-N95 PolarHBondContact NE2-OD1 3.23Å; Q91-N95 WeakPolarHBondContact O-CB 3.48Å; Q91-N95 PolarHBondContact O-N 2.84Å; Q91-N95 PolarHBondContact O-OD1 3.19Å; I93-N95 VanDerWaalsContact C-N 3.28Å; I93-N95 PolarHBondContact O-N 2.79Å; N95-I99 WeakPolarHBondContact O-CD1 3.4Å; N95-I99 VanDerWaalsContact O-CG1 3.27Å; N95-I99 WeakPolarHBondContact O-CG1 3.39Å; N95-I99 PolarHBondContact O-N 2.92Å
96	Q	76.7	Confident	68.5	Low	28 Å²	28	80.8 Å²	80.8	13%	0.131	41%	0.407	C	S	.	.	H	α-helix	trans	-77.1	-36.1	174.9	-74.3	-168.4	56.7	0	0	112.8	F92 I93 H94 L98 I99 I100 L130	F92-Q96 PolarHBondContact O-N 3.18Å; I93-Q96 WeakPolarHBondContact O-CA 3.5Å; I93-Q96 WeakPolarHBondContact O-CB 3.35Å; I93-Q96 PolarHBondContact O-N 3.02Å; H94-Q96 VanDerWaalsContact C-N 3.26Å; H94-Q96 PolarHBondContact O-N 3.41Å; Q96-L98 VanDerWaalsContact C-N 3.29Å; Q96-L98 PolarHBondContact O-N 3.37Å; Q96-I99 PolarHBondContact O-N 3.27Å; Q96-I99 VanDerWaalsContact O-N 3.11Å; Q96-I100 WeakPolarHBondContact O-CG1 3.43Å; Q96-I100 PolarHBondContact O-N 2.75Å; Q96-I100 VanDerWaalsContact O-N 3.13Å; Q96-L130 PolarHBondContact NE2-O 2.94Å; Q96-L130 PolarHBondContact OE1-O 3.38Å
97	C	66.6	Low	65.5	Low	29 Å²	29	86.9 Å²	86.9	20%	0.196	44%	0.439	C	S	.	.	H	α-helix	trans	-55.7	-48.3	174	-50.3	0	0	0	0	110.7	I93 H94 I99 I100 D101 L126	I93-C97 PolarHBondContact O-N 2.55Å; I93-C97 PolarHBondContact O-SG 2.98Å; H94-C97 WeakPolarHBondContact O-CB 3.42Å; H94-C97 PolarHBondContact O-N 2.98Å; C97-I99 VanDerWaalsContact C-N 3.25Å; C97-I99 PolarHBondContact O-N 3.34Å; C97-I100 PolarHBondContact O-N 2.9Å; C97-D101 PolarHBondContact O-N 2.99Å; C97-L126 HydrophobicContact CB-CD2 4.21Å; C97-L126 WeakPolarHBondContact SG-CD2 3.41Å
98	L	57.9	Low	63	Low	72 Å²	72	88.8 Å²	88.8	38%	0.377	45%	0.447	S	S	.	.	H	α-helix	trans	-60.4	-33.7	178.1	-68.2	174.4	0	0	0	112.9	H94 Q96 I100 N102	H94-L98 PolarHBondContact O-N 2.86Å; Q96-L98 VanDerWaalsContact C-N 3.29Å; Q96-L98 PolarHBondContact O-N 3.37Å; L98-I100 VanDerWaalsContact C-N 3.34Å; L98-N102 PolarHBondContact O-N 3.45Å; L98-N102 PolarHBondContact O-ND2 3.17Å
99	I	54.6	Low	60.4	Low	102 Å²	102	91.3 Å²	91.3	52%	0.523	46%	0.462	S	S	.	.	H	α-helix	trans	-71.4	-33.3	177.8	-67	164.8	0	0	0	110.9	N95 Q96 C97 N103	N95-I99 WeakPolarHBondContact O-CD1 3.4Å; N95-I99 VanDerWaalsContact O-CG1 3.27Å; N95-I99 WeakPolarHBondContact O-CG1 3.39Å; N95-I99 PolarHBondContact O-N 2.92Å; Q96-I99 PolarHBondContact O-N 3.27Å; Q96-I99 VanDerWaalsContact O-N 3.11Å; C97-I99 VanDerWaalsContact C-N 3.25Å; C97-I99 PolarHBondContact O-N 3.34Å; I99-N103 PolarHBondContact O-N 3.26Å; I99-N103 PolarHBondContact O-ND2 2.85Å
100	I	50.9	Low	57.7	Low	72 Å²	72	98.5 Å²	98.5	37%	0.369	50%	0.501	S	S	.	.	H	α-helix	trans	-72.8	-42.8	178.9	-62.8	164.5	0	0	0	110.2	Q96 C97 L98 N102 N103 S104	Q96-I100 WeakPolarHBondContact O-CG1 3.43Å; Q96-I100 PolarHBondContact O-N 2.75Å; Q96-I100 VanDerWaalsContact O-N 3.13Å; C97-I100 PolarHBondContact O-N 2.9Å; L98-I100 VanDerWaalsContact C-N 3.34Å; I100-N102 VanDerWaalsContact C-N 3.28Å; I100-N102 PolarHBondContact O-N 2.93Å; I100-N103 CarbonylContact O-C 3.58Å; I100-N103 PolarHBondContact O-N 3.25Å; I100-S104 PolarHBondContact O-N 3.02Å; I100-S104 PolarHBondContact O-OG 3.45Å
101	D	48	Very low	55.2	Low	92 Å²	92	101.3 Å²	101.3	49%	0.492	52%	0.519	S	S	.	.	H	α-helix	trans	-66.1	-30.2	178	-65.7	-24.3	0	0	0	112.1	C97 N103 S104	C97-D101 PolarHBondContact O-N 2.99Å; D101-N103 VanDerWaalsContact C-N 3.28Å; D101-N103 PolarHBondContact O-N 2.9Å; D101-S104 CarbonylContact O-C 3.55Å; D101-S104 PolarHBondContact O-N 2.91Å
102	N	45.5	Very low	52.7	Low	132 Å²	132	102.6 Å²	102.6	71%	0.706	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-17.6	173.2	-75.7	-51.6	0	0	0	114.1	L98 I100	L98-N102 PolarHBondContact O-N 3.45Å; L98-N102 PolarHBondContact O-ND2 3.17Å; I100-N102 VanDerWaalsContact C-N 3.28Å; I100-N102 PolarHBondContact O-N 2.93Å
103	N	47.6	Very low	50	Low	138 Å²	138	106.9 Å²	106.9	74%	0.738	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.3	-4.5	175.3	-75.2	-38.2	0	0	0	113.1	I99 I100 D101	I99-N103 PolarHBondContact O-N 3.26Å; I99-N103 PolarHBondContact O-ND2 2.85Å; I100-N103 CarbonylContact O-C 3.58Å; I100-N103 PolarHBondContact O-N 3.25Å; D101-N103 VanDerWaalsContact C-N 3.28Å; D101-N103 PolarHBondContact O-N 2.9Å
104	S	45.8	Very low	47.6	Very low	51 Å²	51	113.7 Å²	113.7	36%	0.357	59%	0.591	S	S	.	*	T	Hydrogen-bonded Turn	trans	-123.2	106.6	176.5	45.7	0	0	0	0	107.6	I100 D101 K106	I100-S104 PolarHBondContact O-N 3.02Å; I100-S104 PolarHBondContact O-OG 3.45Å; D101-S104 CarbonylContact O-C 3.55Å; D101-S104 PolarHBondContact O-N 2.91Å; S104-K106 PolarHBondContact O-N 3.45Å
105	D	34.1	Very low	45.1	Very low	169 Å²	169	118.8 Å²	118.8	90%	0.904	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.7	67.3	-175.2	-70.4	-45.9	0	0	0	114.9
106	K	36.6	Very low	42.8	Very low	169 Å²	169	119.9 Å²	119.9	74%	0.735	63%	0.628	S	S	*	*			trans	-131.6	80.8	171	-79.3	-171.8	177.7	-179.1	0	107.6	S104 I108	S104-K106 PolarHBondContact O-N 3.45Å; K106-I108 PolarHBondContact O-N 3Å; K106-I108 VanDerWaalsContact O-N 3.13Å
107	I	29.2	Very low	40.6	Very low	147 Å²	147	127.6 Å²	127.6	75%	0.754	66%	0.664	S	S	*	*			trans	-53.5	113.2	166.5	-58.5	167.9	0	0	0	108.1
108	I	38.9	Very low	39.2	Very low	156 Å²	156	133.2 Å²	133.2	80%	0.8	69%	0.691	S	S	*	*			trans	-119.7	118.9	155.7	-59.8	-178.3	0	0	0	106.8	K106 D110	K106-I108 PolarHBondContact O-N 3Å; K106-I108 VanDerWaalsContact O-N 3.13Å; I108-D110 PolarHBondContact O-N 2.92Å
109	H	35.4	Very low	38.1	Very low	154 Å²	154	135.6 Å²	135.6	71%	0.713	70%	0.704	S	S	*	*			trans	-60.7	121.8	179.8	-75.8	-92	0	0	0	111.6	N111	H109-N111 PolarHBondContact O-N 3.22Å
110	D	33	Very low	37.6	Very low	151 Å²	151	135 Å²	135	81%	0.807	70%	0.702	S	S	*	*			trans	-73.3	111.4	155.9	-75.8	-31.8	0	0	0	108.4	I108	I108-D110 PolarHBondContact O-N 2.92Å
111	N	36.5	Very low	37	Very low	132 Å²	132	137.5 Å²	137.5	71%	0.706	72%	0.716	S	S	*	*			trans	-128.1	109.4	161.7	-94.8	-10.1	0	0	0	108.6	H109	H109-N111 PolarHBondContact O-N 3.22Å
112	D	34.4	Very low	36.5	Very low	130 Å²	130	139.5 Å²	139.5	70%	0.695	73%	0.727	S	S	*	*			trans	48.1	113.9	132.9	-64.8	-28	0	0	0	119.9
113	N	31.6	Very low	36.4	Very low	140 Å²	140	137.9 Å²	137.9	75%	0.749	72%	0.722	S	S	*	*			trans	49.5	84.2	133.3	-55.4	-47.2	0	0	0	116.4
114	N	33.9	Very low	36.5	Very low	147 Å²	147	135.8 Å²	135.8	79%	0.786	71%	0.71	S	S	*	*			trans	-168.4	131.9	142.7	-90	-40.6	0	0	0	109.6	S116	N114-S116 PolarHBondContact O-N 2.91Å; N114-S116 PolarHBondContact O-OG 2.62Å; N114-S116 VanDerWaalsContact O-OG 3.04Å
115	E	30.2	Very low	37	Very low	208 Å²	208	139 Å²	139	97%	0.972	72%	0.72	S	S	*	*			trans	-46.8	106.1	163	-75.2	177.9	144	0	0	108.6
116	S	30.6	Very low	38.3	Very low	98 Å²	98	132 Å²	132	69%	0.685	68%	0.682	S	S	*	*			trans	-136.7	120.9	179.7	45.3	0	0	0	0	108	N114 I118	N114-S116 PolarHBondContact O-N 2.91Å; N114-S116 PolarHBondContact O-OG 2.62Å; N114-S116 VanDerWaalsContact O-OG 3.04Å; S116-I118 PolarHBondContact O-N 2.6Å
117	H	31	Very low	39.7	Very low	190 Å²	190	131.1 Å²	131.1	88%	0.88	68%	0.675	S	S	*	*			trans	-13.7	111.7	160.6	-104.8	-88.9	0	0	0	113.1	D119	H117-D119 VanDerWaalsContact C-N 3.31Å; H117-D119 PolarHBondContact O-N 2.79Å
118	I	38.2	Very low	42.3	Very low	148 Å²	148	128.7 Å²	128.7	76%	0.759	66%	0.66	S	S	*	*			trans	-64.7	102.4	161.9	-63.2	172.6	0	0	0	105.2	S116 D120	S116-I118 PolarHBondContact O-N 2.6Å; I118-D120 PolarHBondContact O-N 2.9Å
119	D	34.2	Very low	44.7	Very low	122 Å²	122	121.3 Å²	121.3	65%	0.652	62%	0.623	S	S	*	*			trans	-68.3	109.5	172.8	-147.6	-13.5	0	0	0	106.9	H117 N121	H117-D119 VanDerWaalsContact C-N 3.31Å; H117-D119 PolarHBondContact O-N 2.79Å; D119-N121 PolarHBondContact O-N 3.32Å; D119-N121 PolarHBondContact OD1-ND2 3.46Å
120	D	43.9	Very low	47.4	Very low	90 Å²	90	118.2 Å²	118.2	48%	0.481	61%	0.611	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.7	14.9	-174	-79.5	-29.2	0	0	0	114.4	I118 L174	I118-D120 PolarHBondContact O-N 2.9Å; D120-L174 WeakPolarHBondContact OD1-CD2 3.23Å
121	N	38.5	Very low	50.1	Low	124 Å²	124	112 Å²	112	66%	0.663	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.4	-0.6	-168.1	-67.2	-47.9	0	0	0	114.7	D119	D119-N121 PolarHBondContact O-N 3.32Å; D119-N121 PolarHBondContact OD1-ND2 3.46Å
122	N	37.7	Very low	52.7	Low	134 Å²	134	111.3 Å²	111.3	72%	0.717	58%	0.581	S	S	*	*			trans	-103.1	94.4	168.1	-121.3	1.7	0	0	0	109.1	N124	N122-N124 VanDerWaalsContact C-N 3.25Å; N122-N124 PolarHBondContact O-N 2.79Å
123	T	42.8	Very low	55.5	Low	98 Å²	98	107 Å²	107	60%	0.601	56%	0.556	S	S	*	*			trans	-61	96.1	161.5	44.4	0	0	0	0	107	E125	T123-E125 PolarHBondContact O-N 3.2Å
124	N	51	Low	58.4	Low	93 Å²	93	101.5 Å²	101.5	50%	0.497	53%	0.532	S	S	.	.	B	Isolated β-bridge	trans	-64.9	90.4	170	-71.3	-13.6	0	0	0	106.6	N122 L126	N122-N124 VanDerWaalsContact C-N 3.25Å; N122-N124 PolarHBondContact O-N 2.79Å; N124-L126 PolarHBondContact O-N 2.97Å
125	E	54.5	Low	61.3	Low	120 Å²	120	95.6 Å²	95.6	56%	0.561	50%	0.501	S	S	*	.			trans	-63	88.9	171.3	-73.7	-170.4	171.7	0	0	107.5	T123 Y127	T123-E125 PolarHBondContact O-N 3.2Å; E125-Y127 HydrophobicContact CB-CE1 4.37Å; E125-Y127 HydrophobicContact CB-CE2 4.34Å; E125-Y127 PolarHBondContact O-N 2.79Å; E125-Y127 PolarHBondContact OE2-OH 2.88Å
126	L	61.4	Low	64.4	Low	20 Å²	20	85.7 Å²	85.7	11%	0.105	46%	0.455	C	S	.	.			trans	-75.3	106.5	165.3	-62.8	-177.9	0	0	0	107.6	I93 C97 N124 E128 F137	I93-L126 HydrophobicContact CG2-CD1 3.39Å; C97-L126 HydrophobicContact CB-CD2 4.21Å; C97-L126 WeakPolarHBondContact SG-CD2 3.41Å; N124-L126 PolarHBondContact O-N 2.97Å; L126-E128 VanDerWaalsContact C-N 3.31Å; L126-F137 HydrophobicContact CB-CD2 4.27Å; L126-F137 HydrophobicContact CB-CE2 3.59Å; L126-F137 HydrophobicContact CD1-CE2 4.24Å; L126-F137 WeakPolarHBondContact O-CD2 3.45Å
127	Y	67.5	Low	67.4	Low	151 Å²	151	81.1 Å²	81.1	59%	0.592	42%	0.422	S	S	*	.			trans	-66.7	-37.1	179.8	-67.3	-72	0	0	0	111.7	E125 R141	E125-Y127 HydrophobicContact CB-CE1 4.37Å; E125-Y127 HydrophobicContact CB-CE2 4.34Å; E125-Y127 PolarHBondContact O-N 2.79Å; E125-Y127 PolarHBondContact OE2-OH 2.88Å; Y127-R141 PolarHBondContact O-NH2 3.17Å
128	E	82.3	Confident	70.5	Confident	96 Å²	96	74.7 Å²	74.7	45%	0.449	40%	0.396	S	S	.	.			trans	-142.3	149.5	-172.7	-57.9	-173.7	175.5	0	0	111.7	L126 L130	L126-E128 VanDerWaalsContact C-N 3.31Å; E128-L130 HydrophobicContact CB-CD2 4.49Å
129	L	89.7	Confident	73.3	Confident	2 Å²	2	69.8 Å²	69.8	1%	0.01	37%	0.373	C	S	.	.			trans	-134.2	101.4	170.2	173.2	56.7	0	0	0	108.4	F92 I93 D135 V136 F137 L211	F92-L129 HydrophobicContact CD1-CD1 4.13Å; F92-L129 HydrophobicContact CE1-CD1 3.9Å; I93-L129 HydrophobicContact CD1-CD2 4.09Å; I93-L129 HydrophobicContact CG1-CD1 3.77Å; I93-L129 HydrophobicContact CG1-CD2 3.93Å; L129-D135 PolarHBondContact N-OD1 3.43Å; L129-D135 WeakPolarHBondContact O-CA 3.38Å; L129-V136 HydrophobicContact CB-CB 4.14Å; L129-V136 HydrophobicContact CB-CG2 4.44Å; L129-V136 HydrophobicContact CD2-CB 4.17Å; L129-V136 HydrophobicContact CD2-CG1 4.48Å; L129-V136 HydrophobicContact CD2-CG2 4.22Å; L129-V136 HydrophobicContact CG-CB 4.17Å; L129-V136 HydrophobicContact CG-CG2 4.04Å; L129-V136 WeakPolarHBondContact O-CG2 3.37Å; L129-V136 PolarHBondContact O-N 3.42Å; L129-F137 HydrophobicContact CB-CD1 4.32Å; L129-F137 HydrophobicContact CB-CD2 3.95Å; L129-F137 HydrophobicContact CB-CE1 4.18Å; L129-F137 HydrophobicContact CB-CE2 3.76Å; L129-F137 HydrophobicContact CB-CG 4.22Å; L129-F137 HydrophobicContact CB-CZ 3.9Å; L129-F137 HydrophobicContact CD2-CE1 3.89Å; L129-F137 HydrophobicContact CD2-CZ 3.84Å; L129-L211 HydrophobicContact CD2-CD2 3.92Å
130	L	91.6	Very high	76.3	Confident	89 Å²	89	64 Å²	64	47%	0.466	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	130.2	-171.3	-57.6	-179.7	0	0	0	111.3	F92 Q96 E128 D135	F92-L130 VanDerWaalsContact CZ-O 3.3Å; F92-L130 WeakPolarHBondContact CZ-O 3.43Å; Q96-L130 PolarHBondContact NE2-O 2.94Å; Q96-L130 PolarHBondContact OE1-O 3.38Å; E128-L130 HydrophobicContact CB-CD2 4.49Å; L130-D135 HydrophobicContact CD2-CB 3.82Å
131	T	91.6	Very high	78.9	Confident	19 Å²	19	62.8 Å²	62.8	12%	0.117	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	168.8	174.5	68.5	0	0	0	0	109.6	F92 K133 G134 V136 L211 L214	F92-T131 HydrophobicContact CE1-CG2 4.11Å; F92-T131 HydrophobicContact CZ-CG2 4.42Å; T131-K133 PolarHBondContact O-N 3.11Å; T131-K133 PolarHBondContact OG1-N 3.38Å; T131-G134 PolarHBondContact N-O 2.96Å; T131-G134 PolarHBondContact O-N 2.82Å; T131-G134 PolarHBondContact OG1-O 2.95Å; T131-V136 HydrophobicContact CG2-CG2 3.47Å; T131-V136 VanDerWaalsContact CG2-CG2 3.47Å; T131-L211 HydrophobicContact CG2-CD2 4.26Å; T131-L214 HydrophobicContact CG2-CD1 3.78Å
132	P	90.7	Very high	81.7	Confident	118 Å²	118	61 Å²	61	77%	0.766	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-14.8	170.5	-26.5	36	0	0	0	114.7
133	K	92.2	Very high	84.6	Confident	41 Å²	41	55.1 Å²	55.1	18%	0.178	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-8.7	173.5	-70.6	-175.7	70.5	-152.1	0	113.6	L8 T131 D209 M210 P213	L8-K133 HydrophobicContact CD1-CG 4.39Å; T131-K133 PolarHBondContact O-N 3.11Å; T131-K133 PolarHBondContact OG1-N 3.38Å; K133-D209 PolarHBondContact NZ-O 3.32Å; K133-D209 IonicContact NZ-OD2 2.62Å; K133-D209 PolarHBondContact NZ-OD2 2.74Å; K133-M210 HydrophobicContact CB-CE 3.72Å; K133-M210 HydrophobicContact CB-SD 3.89Å; K133-M210 HydrophobicContact CD-SD 4.22Å; K133-M210 PolarHBondContact NZ-SD 3.28Å; K133-P213 HydrophobicContact CD-CG 4.03Å
134	G	93.2	Very high	87.3	Confident	23 Å²	23	50.5 Å²	50.5	24%	0.237	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	114.1	-170.6	-173.4	0	0	0	0	0	113.3	T131 V136	T131-G134 PolarHBondContact N-O 2.96Å; T131-G134 PolarHBondContact O-N 2.82Å; T131-G134 PolarHBondContact OG1-O 2.95Å; G134-V136 PolarHBondContact O-N 2.66Å
135	D	94	Very high	89.6	Confident	24 Å²	24	48.6 Å²	48.6	13%	0.128	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	114.9	176.9	178.7	9	0	0	0	111.4	L129 L130 F137 T138 V139	L129-D135 PolarHBondContact N-OD1 3.43Å; L129-D135 WeakPolarHBondContact O-CA 3.38Å; L130-D135 HydrophobicContact CD2-CB 3.82Å; D135-F137 PolarHBondContact OD1-N 3.09Å; D135-T138 WeakPolarHBondContact OD2-CB 3.03Å; D135-T138 PolarHBondContact OD2-N 3.34Å; D135-T138 PolarHBondContact OD2-OG1 3.38Å; D135-V139 WeakPolarHBondContact O-CG2 3.22Å; D135-V139 PolarHBondContact O-N 3.29Å
136	V	95.1	Very high	91.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64	-44.9	-178.2	-179.3	0	0	0	0	111.9	L129 T131 G134 A140 V207 M210 L211	L129-V136 HydrophobicContact CB-CB 4.14Å; L129-V136 HydrophobicContact CB-CG2 4.44Å; L129-V136 HydrophobicContact CD2-CB 4.17Å; L129-V136 HydrophobicContact CD2-CG1 4.48Å; L129-V136 HydrophobicContact CD2-CG2 4.22Å; L129-V136 HydrophobicContact CG-CB 4.17Å; L129-V136 HydrophobicContact CG-CG2 4.04Å; L129-V136 WeakPolarHBondContact O-CG2 3.37Å; L129-V136 PolarHBondContact O-N 3.42Å; T131-V136 HydrophobicContact CG2-CG2 3.47Å; T131-V136 VanDerWaalsContact CG2-CG2 3.47Å; G134-V136 PolarHBondContact O-N 2.66Å; V136-A140 VanDerWaalsContact O-CB 3.23Å; V136-A140 WeakPolarHBondContact O-CB 3.22Å; V136-A140 PolarHBondContact O-N 2.91Å; V136-V207 HydrophobicContact CG1-CB 4.3Å; V136-V207 HydrophobicContact CG1-CG1 4.16Å; V136-V207 HydrophobicContact CG1-CG2 4.09Å; V136-M210 HydrophobicContact CB-CB 4.15Å; V136-M210 HydrophobicContact CG1-CB 3.74Å; V136-M210 HydrophobicContact CG1-CG 4.33Å; V136-M210 HydrophobicContact CG2-CB 3.7Å; V136-M210 HydrophobicContact CG2-CE 4.37Å; V136-M210 HydrophobicContact CG2-CG 4.5Å; V136-L211 HydrophobicContact CG1-CG 4.36Å; V136-L211 HydrophobicContact CG2-CD2 4.01Å
137	F	95	Very high	93.4	Very high	1 Å²	1	45.8 Å²	45.8	0%	0.004	24%	0.239	C	C	.	.	H	α-helix	trans	-74.9	-39.4	-171.6	-65.3	-21.7	0	0	0	111.7	L126 L129 D135 A140 R141 I170 I177	L126-F137 HydrophobicContact CB-CD2 4.27Å; L126-F137 HydrophobicContact CB-CE2 3.59Å; L126-F137 HydrophobicContact CD1-CE2 4.24Å; L126-F137 WeakPolarHBondContact O-CD2 3.45Å; L129-F137 HydrophobicContact CB-CD1 4.32Å; L129-F137 HydrophobicContact CB-CD2 3.95Å; L129-F137 HydrophobicContact CB-CE1 4.18Å; L129-F137 HydrophobicContact CB-CE2 3.76Å; L129-F137 HydrophobicContact CB-CG 4.22Å; L129-F137 HydrophobicContact CB-CZ 3.9Å; L129-F137 HydrophobicContact CD2-CE1 3.89Å; L129-F137 HydrophobicContact CD2-CZ 3.84Å; D135-F137 PolarHBondContact OD1-N 3.09Å; F137-A140 PolarHBondContact O-N 3.45Å; F137-R141 WeakPolarHBondContact O-CB 3.49Å; F137-R141 WeakPolarHBondContact O-CG 3.23Å; F137-R141 PolarHBondContact O-N 2.9Å; F137-I170 HydrophobicContact CB-CG2 4.5Å; F137-I170 HydrophobicContact CD1-CB 4.4Å; F137-I170 HydrophobicContact CD1-CG2 3.48Å; F137-I170 VanDerWaalsContact CD1-CG2 3.48Å; F137-I170 HydrophobicContact CE1-CG2 3.72Å; F137-I170 HydrophobicContact CG-CB 4.45Å; F137-I170 HydrophobicContact CG-CG2 3.94Å; F137-I170 HydrophobicContact CZ-CG2 4.35Å; F137-I177 HydrophobicContact CE1-CD1 4.28Å; F137-I177 HydrophobicContact CE1-CG2 4.12Å
138	T	95.3	Very high	94.9	Very high	55 Å²	55	38.7 Å²	38.7	34%	0.337	21%	0.212	S	C	.	.	H	α-helix	trans	-63	-44.5	174.4	-67.9	0	0	0	0	112.1	D135 R141 L142	D135-T138 WeakPolarHBondContact OD2-CB 3.03Å; D135-T138 PolarHBondContact OD2-N 3.34Å; D135-T138 PolarHBondContact OD2-OG1 3.38Å; T138-R141 PolarHBondContact O-N 2.9Å; T138-R141 PolarHBondContact OG1-NH2 3.23Å; T138-L142 HydrophobicContact CG2-CD1 4.17Å; T138-L142 PolarHBondContact O-N 2.83Å; T138-L142 VanDerWaalsContact O-N 3.11Å
139	V	97.2	Very high	95.7	Very high	45 Å²	45	39.7 Å²	39.7	27%	0.273	22%	0.215	S	C	.	.	H	α-helix	trans	-65.8	-40.7	177.8	178.3	0	0	0	0	111.1	D135 L142 A143 T206 M210	D135-V139 WeakPolarHBondContact O-CG2 3.22Å; D135-V139 PolarHBondContact O-N 3.29Å; V139-L142 PolarHBondContact O-N 2.81Å; V139-A143 WeakPolarHBondContact O-CB 3.47Å; V139-A143 PolarHBondContact O-N 2.98Å; V139-T206 HydrophobicContact CB-CG2 4.49Å; V139-T206 HydrophobicContact CG1-CG2 3.75Å; V139-M210 HydrophobicContact CG2-CE 4.35Å
140	A	97.9	Very high	96.1	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66	-39.8	177.2	0	0	0	0	0	113.2	V136 F137 A143 G144 I170 A203 T206 V207	V136-A140 VanDerWaalsContact O-CB 3.23Å; V136-A140 WeakPolarHBondContact O-CB 3.22Å; V136-A140 PolarHBondContact O-N 2.91Å; F137-A140 PolarHBondContact O-N 3.45Å; A140-A143 PolarHBondContact O-N 2.88Å; A140-G144 PolarHBondContact O-N 3.26Å; A140-I170 HydrophobicContact CB-CD1 3.47Å; A140-I170 VanDerWaalsContact CB-CD1 3.47Å; A140-A203 WeakPolarHBondContact O-CB 3.39Å; A140-T206 HydrophobicContact CB-CG2 4.16Å; A140-V207 HydrophobicContact CB-CG2 3.59Å
141	R	97.9	Very high	96.4	Very high	65 Å²	65	39.9 Å²	39.9	25%	0.245	21%	0.213	C	C	.	.	H	α-helix	trans	-59.1	-49.3	173.1	-79.6	-171.9	-75	-103.7	-3.4	111.4	Y127 F137 T138 A143 G144 I145 V168 I170	Y127-R141 PolarHBondContact O-NH2 3.17Å; F137-R141 WeakPolarHBondContact O-CB 3.49Å; F137-R141 WeakPolarHBondContact O-CG 3.23Å; F137-R141 PolarHBondContact O-N 2.9Å; T138-R141 PolarHBondContact O-N 2.9Å; T138-R141 PolarHBondContact OG1-NH2 3.23Å; R141-A143 VanDerWaalsContact C-N 3.35Å; R141-A143 PolarHBondContact O-N 2.99Å; R141-G144 PolarHBondContact O-N 2.77Å; R141-I145 WeakPolarHBondContact O-CG1 3.25Å; R141-I145 PolarHBondContact O-N 3.33Å; R141-V168 WeakPolarHBondContact CD-O 3.28Å; R141-V168 HydrophobicContact CG-CB 4.48Å; R141-V168 HydrophobicContact CG-CG1 4.38Å; R141-V168 VanDerWaalsContact CG-O 3.3Å; R141-V168 WeakPolarHBondContact CG-O 3.47Å; R141-I170 HydrophobicContact CG-CD1 3.81Å; R141-I170 HydrophobicContact CG-CG1 3.98Å
142	L	97.9	Very high	96.7	Very high	88 Å²	88	40 Å²	40	46%	0.461	22%	0.215	S	C	.	.	H	α-helix	trans	-59	-46.1	177.5	-80.6	160.8	0	0	0	111.6	T138 V139 G144 I145 Q146	T138-L142 HydrophobicContact CG2-CD1 4.17Å; T138-L142 PolarHBondContact O-N 2.83Å; T138-L142 VanDerWaalsContact O-N 3.11Å; V139-L142 PolarHBondContact O-N 2.81Å; L142-G144 PolarHBondContact O-N 2.85Å; L142-I145 PolarHBondContact O-N 3.49Å; L142-Q146 WeakPolarHBondContact O-CG 3.35Å; L142-Q146 PolarHBondContact O-N 3.23Å
143	A	98.6	Very high	97	Very high	10 Å²	10	39.8 Å²	39.8	8%	0.083	21%	0.207	C	C	.	.	H	α-helix	trans	-61.3	-43.3	178.3	0	0	0	0	0	112	V139 A140 R141 Q146 A147 V202 T206	V139-A143 WeakPolarHBondContact O-CB 3.47Å; V139-A143 PolarHBondContact O-N 2.98Å; A140-A143 PolarHBondContact O-N 2.88Å; R141-A143 VanDerWaalsContact C-N 3.35Å; R141-A143 PolarHBondContact O-N 2.99Å; A143-Q146 PolarHBondContact O-N 3Å; A143-A147 VanDerWaalsContact O-CB 3.23Å; A143-A147 WeakPolarHBondContact O-CB 3.32Å; A143-A147 PolarHBondContact O-N 2.76Å; A143-V202 HydrophobicContact CB-CG1 4.23Å; A143-T206 HydrophobicContact CB-CG2 4Å; A143-T206 WeakPolarHBondContact CB-OG1 3.48Å
144	G	98.7	Very high	97.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.8	-42.8	175.9	0	0	0	0	0	113.1	A140 R141 L142 Q146 A147 A148 A199	A140-G144 PolarHBondContact O-N 3.26Å; R141-G144 PolarHBondContact O-N 2.77Å; L142-G144 PolarHBondContact O-N 2.85Å; G144-Q146 PolarHBondContact O-N 3.33Å; G144-A147 PolarHBondContact O-N 3.01Å; G144-A148 PolarHBondContact O-N 3.01Å; G144-A199 WeakPolarHBondContact CA-O 3.4Å; G144-A199 WeakPolarHBondContact O-CB 3.35Å
145	I	98.5	Very high	97.5	Very high	53 Å²	53	43.7 Å²	43.7	27%	0.272	22%	0.223	S	C	.	.	H	α-helix	trans	-63.6	-42.5	176.8	-67.9	166.6	0	0	0	111.3	R141 L142 I166 V168	R141-I145 WeakPolarHBondContact O-CG1 3.25Å; R141-I145 PolarHBondContact O-N 3.33Å; L142-I145 PolarHBondContact O-N 3.49Å; I145-I166 HydrophobicContact CB-CG2 4.38Å; I145-I166 HydrophobicContact CG1-CG2 4.09Å; I145-I166 HydrophobicContact CG2-CD1 4.49Å; I145-I166 HydrophobicContact CG2-CG2 4.38Å; I145-V168 HydrophobicContact CG1-CG2 4.04Å
146	Q	98.6	Very high	97.6	Very high	74 Å²	74	48.4 Å²	48.4	35%	0.346	26%	0.255	S	S	.	.	H	α-helix	trans	-65.2	-44.1	176.5	-71.8	179.4	11.2	0	0	111.1	L142 A143 G144 A148 K149 Q150	L142-Q146 WeakPolarHBondContact O-CG 3.35Å; L142-Q146 PolarHBondContact O-N 3.23Å; A143-Q146 PolarHBondContact O-N 3Å; G144-Q146 PolarHBondContact O-N 3.33Å; Q146-A148 PolarHBondContact O-N 3.46Å; Q146-K149 PolarHBondContact O-N 2.97Å; Q146-K149 VanDerWaalsContact O-N 3.16Å; Q146-Q150 WeakPolarHBondContact O-CG 3.26Å; Q146-Q150 PolarHBondContact O-N 3.48Å
147	A	98.6	Very high	97.7	Very high	7 Å²	7	56 Å²	56	6%	0.058	30%	0.295	C	S	.	.	H	α-helix	trans	-60.2	-43.3	179.9	0	0	0	0	0	112.3	A143 G144 K149 Q150 T151 T198 V202	A143-A147 VanDerWaalsContact O-CB 3.23Å; A143-A147 WeakPolarHBondContact O-CB 3.32Å; A143-A147 PolarHBondContact O-N 2.76Å; G144-A147 PolarHBondContact O-N 3.01Å; A147-K149 VanDerWaalsContact C-N 3.26Å; A147-K149 PolarHBondContact O-N 3.3Å; A147-Q150 CarbonylContact O-C 3.57Å; A147-Q150 WeakPolarHBondContact O-CA 3.43Å; A147-Q150 PolarHBondContact O-N 2.87Å; A147-T151 PolarHBondContact O-N 3.38Å; A147-T151 VanDerWaalsContact O-N 3.11Å; A147-T151 PolarHBondContact O-OG1 3.41Å; A147-T198 HydrophobicContact CB-CG2 4Å; A147-V202 HydrophobicContact CB-CB 3.46Å; A147-V202 VanDerWaalsContact CB-CB 3.46Å; A147-V202 HydrophobicContact CB-CG1 3.79Å; A147-V202 HydrophobicContact CB-CG2 3.55Å
148	A	98.5	Very high	97.8	Very high	2 Å²	2	57.4 Å²	57.4	2%	0.017	30%	0.304	C	S	.	.	H	α-helix	trans	-53.5	-43.6	175.4	0	0	0	0	0	112.1	G144 Q146 Q150 T151 L163 I166 V183 E195 A199	G144-A148 PolarHBondContact O-N 3.01Å; Q146-A148 PolarHBondContact O-N 3.46Å; A148-Q150 VanDerWaalsContact C-N 3.27Å; A148-Q150 PolarHBondContact O-N 2.95Å; A148-T151 PolarHBondContact O-N 3.42Å; A148-T151 PolarHBondContact O-OG1 3Å; A148-L163 HydrophobicContact CB-CD1 4.27Å; A148-I166 HydrophobicContact CB-CD1 4Å; A148-I166 HydrophobicContact CB-CG1 4.41Å; A148-I166 HydrophobicContact CB-CG2 3.84Å; A148-V183 HydrophobicContact CB-CG2 4.47Å; A148-E195 WeakPolarHBondContact O-CG 3.39Å; A148-A199 HydrophobicContact CB-CB 4.12Å
149	K	98.1	Very high	97.6	Very high	118 Å²	118	61 Å²	61	51%	0.513	32%	0.317	S	S	.	.	H	α-helix	trans	-71.1	-21.4	178.6	-62.8	176.6	-177.5	179.9	0	113.6	Q146 A147 I166	Q146-K149 PolarHBondContact O-N 2.97Å; Q146-K149 VanDerWaalsContact O-N 3.16Å; A147-K149 VanDerWaalsContact C-N 3.26Å; A147-K149 PolarHBondContact O-N 3.3Å; K149-I166 HydrophobicContact CD-CD1 4.25Å; K149-I166 HydrophobicContact CG-CD1 3.56Å
150	Q	98.2	Very high	97.5	Very high	93 Å²	93	64.9 Å²	64.9	44%	0.435	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	7.1	-177.9	-62.7	-62.5	-52.3	0	0	112.8	Q146 A147 A148 S152 N153 I154	Q146-Q150 WeakPolarHBondContact O-CG 3.26Å; Q146-Q150 PolarHBondContact O-N 3.48Å; A147-Q150 CarbonylContact O-C 3.57Å; A147-Q150 WeakPolarHBondContact O-CA 3.43Å; A147-Q150 PolarHBondContact O-N 2.87Å; A148-Q150 VanDerWaalsContact C-N 3.27Å; A148-Q150 PolarHBondContact O-N 2.95Å; Q150-S152 VanDerWaalsContact C-N 3.34Å; Q150-S152 PolarHBondContact O-N 3.46Å; Q150-N153 WeakPolarHBondContact O-CA 3.4Å; Q150-N153 WeakPolarHBondContact O-CB 3.48Å; Q150-N153 PolarHBondContact O-N 3.26Å; Q150-N153 PolarHBondContact OE1-ND2 3.23Å; Q150-I154 HydrophobicContact CB-CD1 4.29Å; Q150-I154 WeakPolarHBondContact O-CG1 3.22Å; Q150-I154 PolarHBondContact O-N 2.86Å
151	T	98.4	Very high	97.3	Very high	1 Å²	1	65.2 Å²	65.2	1%	0.006	33%	0.334	C	S	.	.	H	α-helix	trans	-54.6	-45.2	-174.4	-59.5	0	0	0	0	113.4	A147 A148 N153 I154 I155 M194 E195	A147-T151 PolarHBondContact O-N 3.38Å; A147-T151 VanDerWaalsContact O-N 3.11Å; A147-T151 PolarHBondContact O-OG1 3.41Å; A148-T151 PolarHBondContact O-N 3.42Å; A148-T151 PolarHBondContact O-OG1 3Å; T151-N153 PolarHBondContact O-N 3.27Å; T151-I154 PolarHBondContact O-N 3.03Å; T151-I154 VanDerWaalsContact O-N 3.08Å; T151-I155 HydrophobicContact CG2-CG1 4.31Å; T151-I155 PolarHBondContact O-N 3.41Å; T151-M194 HydrophobicContact CG2-CB 3.77Å; T151-E195 HydrophobicContact CG2-CG 4.13Å; T151-E195 WeakPolarHBondContact OG1-CA 3.36Å
152	S	97.4	Very high	97.2	Very high	21 Å²	21	65.9 Å²	65.9	15%	0.147	35%	0.347	C	S	.	.	H	α-helix	trans	-61.6	-25.7	176.1	46.9	0	0	0	0	114	Q150 Q160	Q150-S152 VanDerWaalsContact C-N 3.34Å; Q150-S152 PolarHBondContact O-N 3.46Å; S152-Q160 PolarHBondContact OG-OE1 2.62Å
153	N	98.1	Very high	97.2	Very high	115 Å²	115	63.7 Å²	63.7	62%	0.615	34%	0.335	S	S	*	.	H	α-helix	trans	-83.1	-23.2	175.8	-65.2	-21.1	0	0	0	112.3	Q150 T151	Q150-N153 WeakPolarHBondContact O-CA 3.4Å; Q150-N153 WeakPolarHBondContact O-CB 3.48Å; Q150-N153 PolarHBondContact O-N 3.26Å; Q150-N153 PolarHBondContact OE1-ND2 3.23Å; T151-N153 PolarHBondContact O-N 3.27Å
154	I	97.6	Very high	97.1	Very high	91 Å²	91	66.5 Å²	66.5	47%	0.467	36%	0.355	S	S	.	.	H	α-helix	trans	-93.3	-41.1	-177.5	-62.7	166.3	0	0	0	110.9	Q150 T151 T198	Q150-I154 HydrophobicContact CB-CD1 4.29Å; Q150-I154 WeakPolarHBondContact O-CG1 3.22Å; Q150-I154 PolarHBondContact O-N 2.86Å; T151-I154 PolarHBondContact O-N 3.03Å; T151-I154 VanDerWaalsContact O-N 3.08Å; I154-T198 HydrophobicContact CD1-CG2 3.96Å
155	I	97.5	Very high	97	Very high	55 Å²	55	70.6 Å²	70.6	28%	0.282	37%	0.374	S	S	.	.	S	Bend	trans	-104.6	109.1	-175.6	-52	-62.4	0	0	0	109.5	T151 L157 C158 M194	T151-I155 HydrophobicContact CG2-CG1 4.31Å; T151-I155 PolarHBondContact O-N 3.41Å; I155-L157 VanDerWaalsContact C-N 3.26Å; I155-L157 PolarHBondContact O-N 3.31Å; I155-C158 HydrophobicContact CB-CB 4.08Å; I155-C158 VanDerWaalsContact CB-SG 3.57Å; I155-C158 HydrophobicContact CG2-CB 4.34Å; I155-C158 WeakPolarHBondContact CG2-SG 3.2Å; I155-C158 WeakPolarHBondContact O-CB 3.46Å; I155-C158 PolarHBondContact O-N 3.26Å; I155-M194 HydrophobicContact CD1-CE 4.16Å; I155-M194 HydrophobicContact CG1-CE 3.98Å; I155-M194 HydrophobicContact CG2-CE 4.25Å
156	P	97.5	Very high	97	Very high	122 Å²	122	69.5 Å²	69.5	79%	0.792	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-27.5	-165.5	-30.4	35.6	0	0	0	117.3
157	L	96.8	Very high	97	Very high	160 Å²	160	67.1 Å²	67.1	84%	0.838	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.6	7.4	-177	-57.8	-179.1	0	0	0	113.2	I155	I155-L157 VanDerWaalsContact C-N 3.26Å; I155-L157 PolarHBondContact O-N 3.31Å
158	C	95.9	Very high	96.9	Very high	31 Å²	31	67.1 Å²	67.1	21%	0.209	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-76.2	137.3	173.4	-78.8	0	0	0	0	110.6	I155	I155-C158 HydrophobicContact CB-CB 4.08Å; I155-C158 VanDerWaalsContact CB-SG 3.57Å; I155-C158 HydrophobicContact CG2-CB 4.34Å; I155-C158 WeakPolarHBondContact CG2-SG 3.2Å; I155-C158 WeakPolarHBondContact O-CB 3.46Å; I155-C158 PolarHBondContact O-N 3.26Å
159	H	92.8	Very high	96.8	Very high	130 Å²	130	71 Å²	71	60%	0.602	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-76.3	149.9	171.4	-59.8	84.6	0	0	0	109.4	V161 T190	H159-V161 PolarHBondContact O-N 3.49Å; H159-T190 HydrophobicContact CB-CG2 4.26Å
160	Q	94.7	Very high	96.7	Very high	126 Å²	126	66 Å²	66	59%	0.589	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-67.5	121.9	167.6	-174.8	69.8	40.2	0	0	109.4	S152	S152-Q160 PolarHBondContact OG-OE1 2.62Å
161	V	94.2	Very high	96.3	Very high	7 Å²	7	62.4 Å²	62.4	4%	0.042	35%	0.345	C	S	.	.			trans	-114.3	125.9	178.3	-168.5	0	0	0	0	110.4	H159 L163 A185 Q188 T190 V192 E195	H159-V161 PolarHBondContact O-N 3.49Å; V161-L163 HydrophobicContact CB-CD2 3.99Å; V161-L163 HydrophobicContact CG1-CD2 3.96Å; V161-L163 PolarHBondContact O-N 2.67Å; V161-L163 VanDerWaalsContact O-N 3.12Å; V161-A185 HydrophobicContact CG1-CB 3.7Å; V161-Q188 HydrophobicContact CG1-CB 4.23Å; V161-Q188 HydrophobicContact CG1-CG 3.76Å; V161-T190 HydrophobicContact CG2-CG2 3.31Å; V161-V192 HydrophobicContact CG1-CG1 4.01Å; V161-E195 WeakPolarHBondContact CG2-OE1 3.42Å
162	P	95.2	Very high	95.8	Very high	80 Å²	80	64.9 Å²	64.9	52%	0.519	36%	0.355	S	S	.	.			trans	-72.3	103.1	169.3	29.6	-32.9	0	0	0	109.6	Q188	P162-Q188 HydrophobicContact CG-CG 4.36Å; P162-Q188 VanDerWaalsContact CG-NE2 3.33Å
163	L	97.2	Very high	95.2	Very high	41 Å²	41	68.2 Å²	68.2	22%	0.215	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	132.4	-178.2	-52.7	-179.2	0	0	0	110.8	A148 V161 I166 V183 A185 V192 E195	A148-L163 HydrophobicContact CB-CD1 4.27Å; V161-L163 HydrophobicContact CB-CD2 3.99Å; V161-L163 HydrophobicContact CG1-CD2 3.96Å; V161-L163 PolarHBondContact O-N 2.67Å; V161-L163 VanDerWaalsContact O-N 3.12Å; L163-I166 HydrophobicContact CB-CD1 4.22Å; L163-I166 HydrophobicContact CB-CG1 4.19Å; L163-I166 HydrophobicContact CD1-CD1 3.62Å; L163-I166 HydrophobicContact CD1-CG1 3.94Å; L163-V183 HydrophobicContact CD1-CG1 4.04Å; L163-V183 HydrophobicContact CD2-CG1 3.76Å; L163-V183 HydrophobicContact CG-CG1 4.35Å; L163-A185 HydrophobicContact CD2-CB 4.47Å; L163-V192 HydrophobicContact CD2-CG1 3.95Å; L163-E195 HydrophobicContact CD1-CB 4.36Å; L163-E195 HydrophobicContact CD1-CG 4.04Å; L163-E195 HydrophobicContact CD2-CG 4Å
164	S	96.5	Very high	94.5	Very high	70 Å²	70	67.8 Å²	67.8	49%	0.49	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-24.1	177.2	61.5	0	0	0	0	112.9	K184	S164-K184 PolarHBondContact N-O 3.16Å; S164-K184 PolarHBondContact OG-O 3.39Å
165	H	97.6	Very high	93.9	Very high	86 Å²	86	64.8 Å²	64.8	40%	0.398	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	142.3	178.5	-178.8	79.3	0	0	0	111.1	V183 K184	H165-V183 WeakPolarHBondContact O-CA 3.26Å; H165-K184 HydrophobicContact CB-CB 4.02Å; H165-K184 HydrophobicContact CB-CD 4.34Å; H165-K184 HydrophobicContact CB-CG 4.28Å; H165-K184 PolarHBondContact N-O 3.43Å; H165-K184 PolarHBondContact O-N 2.91Å
166	I	98.3	Very high	93.7	Very high	30 Å²	30	64.7 Å²	64.7	15%	0.154	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	121.9	174.3	-50.9	167.7	0	0	0	106.9	I145 A148 K149 L163 Q182 V183	I145-I166 HydrophobicContact CB-CG2 4.38Å; I145-I166 HydrophobicContact CG1-CG2 4.09Å; I145-I166 HydrophobicContact CG2-CD1 4.49Å; I145-I166 HydrophobicContact CG2-CG2 4.38Å; A148-I166 HydrophobicContact CB-CD1 4Å; A148-I166 HydrophobicContact CB-CG1 4.41Å; A148-I166 HydrophobicContact CB-CG2 3.84Å; K149-I166 HydrophobicContact CD-CD1 4.25Å; K149-I166 HydrophobicContact CG-CD1 3.56Å; L163-I166 HydrophobicContact CB-CD1 4.22Å; L163-I166 HydrophobicContact CB-CG1 4.19Å; L163-I166 HydrophobicContact CD1-CD1 3.62Å; L163-I166 HydrophobicContact CD1-CG1 3.94Å; I166-Q182 CarbonylContact C-O 3.5Å; I166-Q182 WeakPolarHBondContact CA-O 3.38Å; I166-V183 HydrophobicContact CG2-CG2 4.36Å
167	S	97.7	Very high	93.5	Very high	24 Å²	24	58.9 Å²	58.9	17%	0.168	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	148.3	166.8	78.3	0	0	0	0	110.1	S181 Q182	S167-S181 CarbonylContact O-C 3.55Å; S167-S181 WeakPolarHBondContact O-CA 3.38Å; S167-Q182 PolarHBondContact N-O 2.87Å; S167-Q182 PolarHBondContact O-N 3.16Å; S167-Q182 VanDerWaalsContact OG-CB 3.28Å; S167-Q182 WeakPolarHBondContact OG-CB 3.38Å
168	V	97.7	Very high	93.5	Very high	6 Å²	6	52.4 Å²	52.4	4%	0.036	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	113.9	172	-180	0	0	0	0	106.7	R141 I145 I170 I179 Q180 A199 A203	R141-V168 WeakPolarHBondContact CD-O 3.28Å; R141-V168 HydrophobicContact CG-CB 4.48Å; R141-V168 HydrophobicContact CG-CG1 4.38Å; R141-V168 VanDerWaalsContact CG-O 3.3Å; R141-V168 WeakPolarHBondContact CG-O 3.47Å; I145-V168 HydrophobicContact CG1-CG2 4.04Å; V168-I170 HydrophobicContact CG1-CD1 4.49Å; V168-I170 HydrophobicContact CG1-CG1 4.25Å; V168-I179 HydrophobicContact CG1-CG2 3.89Å; V168-Q180 CarbonylContact C-O 3.53Å; V168-Q180 WeakPolarHBondContact CA-O 3.46Å; V168-A199 HydrophobicContact CG2-CB 4.3Å; V168-A203 HydrophobicContact CG1-CB 4.26Å
169	D	95.7	Very high	93.5	Very high	84 Å²	84	50.9 Å²	50.9	45%	0.449	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	133.4	-179.3	-54.5	-56	0	0	0	108.2	I179 Q180	D169-I179 CarbonylContact O-C 3.45Å; D169-I179 WeakPolarHBondContact O-CA 3.4Å; D169-Q180 PolarHBondContact N-O 2.88Å; D169-Q180 PolarHBondContact O-N 2.86Å
170	I	95	Very high	93.7	Very high	14 Å²	14	46.7 Å²	46.7	7%	0.072	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	131.1	-178	-52.5	-176.1	0	0	0	107.5	F137 A140 R141 V168 I177 H178 I179	F137-I170 HydrophobicContact CB-CG2 4.5Å; F137-I170 HydrophobicContact CD1-CB 4.4Å; F137-I170 HydrophobicContact CD1-CG2 3.48Å; F137-I170 VanDerWaalsContact CD1-CG2 3.48Å; F137-I170 HydrophobicContact CE1-CG2 3.72Å; F137-I170 HydrophobicContact CG-CB 4.45Å; F137-I170 HydrophobicContact CG-CG2 3.94Å; F137-I170 HydrophobicContact CZ-CG2 4.35Å; A140-I170 HydrophobicContact CB-CD1 3.47Å; A140-I170 VanDerWaalsContact CB-CD1 3.47Å; R141-I170 HydrophobicContact CG-CD1 3.81Å; R141-I170 HydrophobicContact CG-CG1 3.98Å; V168-I170 HydrophobicContact CG1-CD1 4.49Å; V168-I170 HydrophobicContact CG1-CG1 4.25Å; I170-I177 HydrophobicContact CG2-CG2 3.85Å; I170-H178 WeakPolarHBondContact CA-O 3.18Å; I170-I179 HydrophobicContact CB-CG1 4.47Å; I170-I179 HydrophobicContact CD1-CD1 4.47Å; I170-I179 HydrophobicContact CD1-CG1 4.36Å; I170-I179 HydrophobicContact CG1-CB 4.46Å; I170-I179 HydrophobicContact CG1-CG1 4.03Å; I170-I179 HydrophobicContact CG1-CG2 4.08Å; I170-I179 HydrophobicContact CG2-CG1 4.01Å
171	G	89.9	Confident	93.9	Very high	16 Å²	16	40.7 Å²	40.7	17%	0.165	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	-173	177.4	0	0	0	0	0	112	I177 H178	G171-I177 WeakPolarHBondContact O-CA 3.22Å; G171-H178 PolarHBondContact N-O 3.08Å; G171-H178 PolarHBondContact O-N 2.96Å
172	Y	88.2	Confident	94.1	Very high	53 Å²	53	41.4 Å²	41.4	21%	0.208	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	128.9	176.2	-161.9	-110.6	0	0	0	110.3	I85 G175 K176 I177	I85-Y172 HydrophobicContact CD1-CE2 3.94Å; Y172-G175 VanDerWaalsContact CZ-CA 3.42Å; Y172-G175 WeakPolarHBondContact OH-CA 3.38Å; Y172-G175 PolarHBondContact OH-O 3.3Å; Y172-K176 WeakPolarHBondContact CA-O 3.21Å; Y172-K176 WeakPolarHBondContact CD2-O 3.35Å; Y172-I177 HydrophobicContact CD2-CG1 4.44Å
173	R	84.9	Confident	94.2	Very high	92 Å²	92	37.6 Å²	37.6	35%	0.347	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	133	179.8	-171.4	172.5	-172.4	-174.5	6.2	110	G175 K176 H178	R173-G175 VanDerWaalsContact C-N 3.27Å; R173-G175 PolarHBondContact O-N 3.39Å; R173-K176 PolarHBondContact N-O 3.44Å; R173-K176 WeakPolarHBondContact O-CB 3.3Å; R173-K176 PolarHBondContact O-N 2.75Å; R173-K176 VanDerWaalsContact O-O 3.08Å; R173-H178 HydrophobicContact CB-CB 3.93Å
174	L	83.1	Confident	94.2	Very high	105 Å²	105	39.7 Å²	39.7	55%	0.55	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	41.2	175.8	-62.3	168.9	0	0	0	113.6	D120 K176	D120-L174 WeakPolarHBondContact OD1-CD2 3.23Å; L174-K176 PolarHBondContact O-N 3.03Å
175	G	86.4	Confident	94.2	Very high	28 Å²	28	36.3 Å²	36.3	29%	0.289	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	10.9	-179.7	0	0	0	0	0	114.9	Y172 R173	Y172-G175 VanDerWaalsContact CZ-CA 3.42Å; Y172-G175 WeakPolarHBondContact OH-CA 3.38Å; Y172-G175 PolarHBondContact OH-O 3.3Å; R173-G175 VanDerWaalsContact C-N 3.27Å; R173-G175 PolarHBondContact O-N 3.39Å
176	K	92.2	Very high	94	Very high	54 Å²	54	35.5 Å²	35.5	24%	0.235	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	154.6	-173.6	-61.1	178.1	-174.3	-172.9	0	110.9	F82 I83 C84 Y172 R173 L174 H178 E222	F82-K176 HydrophobicContact CB-CD 4.17Å; F82-K176 HydrophobicContact CD1-CB 4.18Å; F82-K176 HydrophobicContact CD1-CD 4.35Å; I83-K176 WeakPolarHBondContact O-CA 3.45Å; I83-K176 WeakPolarHBondContact O-CB 3.34Å; C84-K176 WeakPolarHBondContact SG-CE 3.14Å; C84-K176 PolarHBondContact SG-NZ 3.11Å; C84-K176 VanDerWaalsContact SG-NZ 3.43Å; Y172-K176 WeakPolarHBondContact CA-O 3.21Å; Y172-K176 WeakPolarHBondContact CD2-O 3.35Å; R173-K176 PolarHBondContact N-O 3.44Å; R173-K176 WeakPolarHBondContact O-CB 3.3Å; R173-K176 PolarHBondContact O-N 2.75Å; R173-K176 VanDerWaalsContact O-O 3.08Å; L174-K176 PolarHBondContact O-N 3.03Å; K176-H178 PolarHBondContact O-N 3.26Å; K176-E222 IonicContact NZ-OE1 2.6Å; K176-E222 PolarHBondContact NZ-OE1 3.42Å
177	I	94.1	Very high	93.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	126.9	166.2	-59.7	168.3	0	0	0	107	F82 I83 I85 I93 F137 I170 G171 Y172 I179 V207 L211	F82-I177 CarbonylContact C-O 3.54Å; F82-I177 WeakPolarHBondContact CA-O 3.42Å; I83-I177 HydrophobicContact CB-CB 4.16Å; I83-I177 HydrophobicContact CD1-CB 4.49Å; I83-I177 HydrophobicContact CD1-CG2 4.37Å; I83-I177 PolarHBondContact N-O 2.83Å; I83-I177 PolarHBondContact O-N 2.95Å; I85-I177 HydrophobicContact CG2-CD1 4.05Å; I93-I177 HydrophobicContact CD1-CD1 4.37Å; I93-I177 HydrophobicContact CD1-CG1 4.47Å; F137-I177 HydrophobicContact CE1-CD1 4.28Å; F137-I177 HydrophobicContact CE1-CG2 4.12Å; I170-I177 HydrophobicContact CG2-CG2 3.85Å; G171-I177 WeakPolarHBondContact O-CA 3.22Å; Y172-I177 HydrophobicContact CD2-CG1 4.44Å; I177-I179 HydrophobicContact CG2-CG1 4.25Å; I177-V207 HydrophobicContact CD1-CG1 3.7Å; I177-L211 HydrophobicContact CD1-CD1 3.65Å
178	H	95.6	Very high	93	Very high	23 Å²	23	37.5 Å²	37.5	11%	0.106	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	125.1	178.7	176.5	-130	0	0	0	108.7	Q80 F82 I170 G171 R173 K176	Q80-H178 PolarHBondContact OE1-NE2 3.34Å; F82-H178 HydrophobicContact CD1-CB 4.1Å; F82-H178 AromaticContact CD1-CD2 4Å; F82-H178 HydrophobicContact CE1-CB 3.92Å; F82-H178 AromaticContact CE1-CD2 3.52Å; F82-H178 AromaticContact CE1-CG 3.82Å; F82-H178 AromaticContact CZ-CD2 3.55Å; F82-H178 AromaticContact CZ-NE2 3.99Å; I170-H178 WeakPolarHBondContact CA-O 3.18Å; G171-H178 PolarHBondContact N-O 3.08Å; G171-H178 PolarHBondContact O-N 2.96Å; R173-H178 HydrophobicContact CB-CB 3.93Å; K176-H178 PolarHBondContact O-N 3.26Å
179	I	96.9	Very high	92.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	131.6	176.6	-54.1	172.2	0	0	0	108	Q80 V81 I83 V168 D169 I170 I177 V200 A203 A204 V207	Q80-I179 CarbonylContact C-O 3.5Å; Q80-I179 WeakPolarHBondContact CA-O 3.48Å; V81-I179 HydrophobicContact CG1-CB 3.67Å; V81-I179 HydrophobicContact CG1-CD1 4.2Å; V81-I179 HydrophobicContact CG1-CG1 4.29Å; V81-I179 HydrophobicContact CG1-CG2 4.38Å; V81-I179 PolarHBondContact N-O 2.96Å; V81-I179 PolarHBondContact O-N 2.86Å; I83-I179 HydrophobicContact CD1-CD1 3.88Å; V168-I179 HydrophobicContact CG1-CG2 3.89Å; D169-I179 CarbonylContact O-C 3.45Å; D169-I179 WeakPolarHBondContact O-CA 3.4Å; I170-I179 HydrophobicContact CB-CG1 4.47Å; I170-I179 HydrophobicContact CD1-CD1 4.47Å; I170-I179 HydrophobicContact CD1-CG1 4.36Å; I170-I179 HydrophobicContact CG1-CB 4.46Å; I170-I179 HydrophobicContact CG1-CG1 4.03Å; I170-I179 HydrophobicContact CG1-CG2 4.08Å; I170-I179 HydrophobicContact CG2-CG1 4.01Å; I177-I179 HydrophobicContact CG2-CG1 4.25Å; I179-V200 HydrophobicContact CG2-CG1 4.29Å; I179-A203 HydrophobicContact CD1-CB 4.04Å; I179-A203 HydrophobicContact CG2-CB 3.94Å; I179-A204 HydrophobicContact CD1-CB 4.15Å; I179-V207 HydrophobicContact CD1-CG2 3.95Å
180	Q	97.6	Very high	92.2	Very high	41 Å²	41	40.6 Å²	40.6	19%	0.192	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	138.8	177.6	-171.6	-177.7	-99	0	0	109.4	K78 A79 V168 D169	K78-Q180 HydrophobicContact CG-CG 4.15Å; A79-Q180 CarbonylContact O-C 3.46Å; A79-Q180 VanDerWaalsContact O-CA 3.32Å; A79-Q180 WeakPolarHBondContact O-CA 3.34Å; A79-Q180 WeakPolarHBondContact O-CG 3.32Å; V168-Q180 CarbonylContact C-O 3.53Å; V168-Q180 WeakPolarHBondContact CA-O 3.46Å; D169-Q180 PolarHBondContact N-O 2.88Å; D169-Q180 PolarHBondContact O-N 2.86Å
181	S	98.1	Very high	92.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	144.9	172.2	71.6	0	0	0	0	111.2	K78 A79 S167 A196 V200	K78-S181 VanDerWaalsContact CA-O 3.26Å; K78-S181 WeakPolarHBondContact CA-O 3.49Å; A79-S181 PolarHBondContact N-O 2.6Å; A79-S181 PolarHBondContact O-N 3.3Å; S167-S181 CarbonylContact O-C 3.55Å; S167-S181 WeakPolarHBondContact O-CA 3.38Å; S181-A196 WeakPolarHBondContact OG-CA 3.46Å; S181-A196 PolarHBondContact OG-O 3.14Å; S181-V200 WeakPolarHBondContact OG-CG1 3.35Å
182	Q	97.9	Very high	92.4	Very high	23 Å²	23	39.7 Å²	39.7	11%	0.107	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.4	165.6	-168.9	73.4	40	0	0	109.9	S76 A77 K78 I166 S167 E228	S76-Q182 PolarHBondContact OG-NE2 3.24Å; A77-Q182 WeakPolarHBondContact O-CA 3.44Å; A77-Q182 PolarHBondContact O-NE2 3.28Å; K78-Q182 VanDerWaalsContact CB-OE1 3.26Å; K78-Q182 VanDerWaalsContact CG-OE1 3.22Å; I166-Q182 CarbonylContact C-O 3.5Å; I166-Q182 WeakPolarHBondContact CA-O 3.38Å; S167-Q182 PolarHBondContact N-O 2.87Å; S167-Q182 PolarHBondContact O-N 3.16Å; S167-Q182 VanDerWaalsContact OG-CB 3.28Å; S167-Q182 WeakPolarHBondContact OG-CB 3.38Å; Q182-E228 PolarHBondContact NE2-OE1 3.43Å; Q182-E228 PolarHBondContact OE1-OE1 2.83Å
183	V	98.1	Very high	92.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	139	174.3	-176.6	0	0	0	0	109.9	S76 A77 A148 L163 H165 I166 V192 E195 A196	S76-V183 CarbonylContact C-O 3.54Å; S76-V183 VanDerWaalsContact CA-O 3.31Å; S76-V183 WeakPolarHBondContact CA-O 3.31Å; A77-V183 PolarHBondContact N-O 3.01Å; A77-V183 PolarHBondContact O-N 2.67Å; A148-V183 HydrophobicContact CB-CG2 4.47Å; L163-V183 HydrophobicContact CD1-CG1 4.04Å; L163-V183 HydrophobicContact CD2-CG1 3.76Å; L163-V183 HydrophobicContact CG-CG1 4.35Å; H165-V183 WeakPolarHBondContact O-CA 3.26Å; I166-V183 HydrophobicContact CG2-CG2 4.36Å; V183-V192 HydrophobicContact CB-CB 4.4Å; V183-V192 HydrophobicContact CB-CG2 4.33Å; V183-V192 HydrophobicContact CG1-CB 3.93Å; V183-V192 HydrophobicContact CG1-CG1 4.35Å; V183-V192 HydrophobicContact CG1-CG2 4.2Å; V183-V192 WeakPolarHBondContact O-CG2 3.49Å; V183-E195 HydrophobicContact CB-CB 4.34Å; V183-E195 HydrophobicContact CG1-CB 3.86Å; V183-E195 HydrophobicContact CG2-CB 4.15Å; V183-A196 HydrophobicContact CB-CB 4.45Å; V183-A196 HydrophobicContact CG2-CB 4.1Å
184	K	97.1	Very high	93.5	Very high	84 Å²	84	38.4 Å²	38.4	37%	0.365	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	149.6	173.8	-53.4	179.9	178.8	173.8	0	111.6	R75 S164 H165	R75-K184 CarbonylContact O-C 3.58Å; R75-K184 VanDerWaalsContact O-CA 3.23Å; R75-K184 WeakPolarHBondContact O-CA 3.44Å; S164-K184 PolarHBondContact N-O 3.16Å; S164-K184 PolarHBondContact OG-O 3.39Å; H165-K184 HydrophobicContact CB-CB 4.02Å; H165-K184 HydrophobicContact CB-CD 4.34Å; H165-K184 HydrophobicContact CB-CG 4.28Å; H165-K184 PolarHBondContact N-O 3.43Å; H165-K184 PolarHBondContact O-N 2.91Å
185	A	96	Very high	94.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	151.9	168.9	0	0	0	0	0	110.7	R75 V161 L163 Q188 V192	R75-A185 PolarHBondContact N-O 3.2Å; R75-A185 PolarHBondContact O-N 2.81Å; V161-A185 HydrophobicContact CG1-CB 3.7Å; L163-A185 HydrophobicContact CD2-CB 4.47Å; A185-Q188 HydrophobicContact CB-CB 4.35Å; A185-Q188 HydrophobicContact CB-CG 3.74Å; A185-V192 HydrophobicContact CB-CG1 3.67Å
186	V	93	Very high	94.8	Very high	69 Å²	69	32.5 Å²	32.5	42%	0.418	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	132.6	-174.5	178	0	0	0	0	109.4	T72 Q188	T72-V186 HydrophobicContact CG2-CG1 3.27Å; V186-Q188 VanDerWaalsContact C-N 3.31Å; V186-Q188 PolarHBondContact O-N 3.31Å; V186-Q188 PolarHBondContact O-NE2 3.44Å
187	G	87.8	Confident	95.1	Very high	49 Å²	49	31.8 Å²	31.8	51%	0.505	19%	0.185	S	C	.	.	S	Bend	trans	73.4	18.5	177.2	0	0	0	0	0	114.7	T73	T73-G187 PolarHBondContact O-N 3.26Å
188	Q	87.2	Confident	95.3	Very high	47 Å²	47	32.2 Å²	32.2	22%	0.22	19%	0.188	C	C	.	.			trans	-99.2	142.5	-173.7	-56.6	-53.5	-52	0	0	112.7	R75 V161 P162 A185 V186	R75-Q188 VanDerWaalsContact CZ-O 3.31Å; R75-Q188 PolarHBondContact NE-O 2.78Å; R75-Q188 PolarHBondContact NH2-O 3.44Å; V161-Q188 HydrophobicContact CG1-CB 4.23Å; V161-Q188 HydrophobicContact CG1-CG 3.76Å; P162-Q188 HydrophobicContact CG-CG 4.36Å; P162-Q188 VanDerWaalsContact CG-NE2 3.33Å; A185-Q188 HydrophobicContact CB-CB 4.35Å; A185-Q188 HydrophobicContact CB-CG 3.74Å; V186-Q188 VanDerWaalsContact C-N 3.31Å; V186-Q188 PolarHBondContact O-N 3.31Å; V186-Q188 PolarHBondContact O-NE2 3.44Å
189	S	87.5	Confident	95.4	Very high	111 Å²	111	31.1 Å²	31.1	78%	0.776	18%	0.183	S	C	*	.	S	Bend	trans	-80.2	-30.1	177.6	58.8	0	0	0	0	112.6	R75	R75-S189 PolarHBondContact NH1-O 3.34Å; R75-S189 PolarHBondContact NH2-O 2.64Å
190	T	89.3	Confident	95.5	Very high	43 Å²	43	31.1 Å²	31.1	26%	0.264	18%	0.183	S	C	.	.	S	Bend	trans	-92.3	153.3	176	-174.2	0	0	0	0	111.9	R75 H159 V161	R75-T190 WeakPolarHBondContact CG-O 3.5Å; R75-T190 PolarHBondContact NH1-O 3.35Å; R75-T190 VanDerWaalsContact NH1-O 3.1Å; H159-T190 HydrophobicContact CB-CG2 4.26Å; V161-T190 HydrophobicContact CG2-CG2 3.31Å
191	G	93.2	Very high	95.6	Very high	10 Å²	10	30.8 Å²	30.8	10%	0.103	18%	0.184	C	C	.	.			trans	-78.3	177.7	172.4	0	0	0	0	0	111.9	E193	G191-E193 WeakPolarHBondContact CA-OE2 3.4Å
192	V	96.7	Very high	95.6	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.006	20%	0.196	C	C	.	.			trans	-121.1	21.7	-176.6	-66.2	0	0	0	0	113.2	R75 A77 V161 L163 V183 A185 M194 E195 A196	R75-V192 HydrophobicContact CB-CG2 4.38Å; A77-V192 HydrophobicContact CB-CG2 3.86Å; A77-V192 WeakPolarHBondContact CB-O 3.23Å; V161-V192 HydrophobicContact CG1-CG1 4.01Å; L163-V192 HydrophobicContact CD2-CG1 3.95Å; V183-V192 HydrophobicContact CB-CB 4.4Å; V183-V192 HydrophobicContact CB-CG2 4.33Å; V183-V192 HydrophobicContact CG1-CB 3.93Å; V183-V192 HydrophobicContact CG1-CG1 4.35Å; V183-V192 HydrophobicContact CG1-CG2 4.2Å; V183-V192 WeakPolarHBondContact O-CG2 3.49Å; A185-V192 HydrophobicContact CB-CG1 3.67Å; V192-M194 VanDerWaalsContact C-N 3.29Å; V192-M194 PolarHBondContact O-N 3.22Å; V192-E195 VanDerWaalsContact C-OE2 3.24Å; V192-E195 WeakPolarHBondContact CA-OE2 3.32Å; V192-E195 PolarHBondContact O-N 3.18Å; V192-A196 PolarHBondContact O-N 3.09Å
193	E	97.1	Very high	95.6	Very high	46 Å²	46	31.6 Å²	31.6	22%	0.215	19%	0.191	C	C	.	.	H	α-helix	trans	-61.7	-39.5	-178.7	-56	94.4	119.5	0	0	111.8	A77 G191 E195 A196 L197 L226 K229	A77-E193 HydrophobicContact CB-CG 4.45Å; G191-E193 WeakPolarHBondContact CA-OE2 3.4Å; E193-E195 VanDerWaalsContact C-N 3.33Å; E193-A196 PolarHBondContact O-N 3.38Å; E193-L197 WeakPolarHBondContact O-CB 3.31Å; E193-L197 WeakPolarHBondContact O-CG 3.42Å; E193-L197 PolarHBondContact O-N 2.94Å; E193-L226 HydrophobicContact CB-CD1 4.05Å; E193-L226 HydrophobicContact CB-CD2 4.25Å; E193-L226 HydrophobicContact CG-CD1 4.22Å; E193-L226 HydrophobicContact CG-CD2 3.85Å; E193-K229 VanDerWaalsContact CD-CE 3.44Å; E193-K229 HydrophobicContact CG-CB 4.3Å; E193-K229 HydrophobicContact CG-CD 3.77Å; E193-K229 HydrophobicContact CG-CG 3.96Å; E193-K229 WeakPolarHBondContact OE1-CD 3.41Å; E193-K229 WeakPolarHBondContact OE1-CE 3.15Å; E193-K229 IonicContact OE1-NZ 2.67Å; E193-K229 PolarHBondContact OE1-NZ 3.38Å; E193-K229 IonicContact OE2-NZ 2.6Å
194	M	97.7	Very high	95.7	Very high	72 Å²	72	31.6 Å²	31.6	36%	0.355	19%	0.191	S	C	.	.	H	α-helix	trans	-70.9	-33.7	-177.3	-66.8	-53.5	-55.4	0	0	111.2	T151 I155 V192 L197 T198	T151-M194 HydrophobicContact CG2-CB 3.77Å; I155-M194 HydrophobicContact CD1-CE 4.16Å; I155-M194 HydrophobicContact CG1-CE 3.98Å; I155-M194 HydrophobicContact CG2-CE 4.25Å; V192-M194 VanDerWaalsContact C-N 3.29Å; V192-M194 PolarHBondContact O-N 3.22Å; M194-L197 PolarHBondContact O-N 3.31Å; M194-L197 HydrophobicContact SD-CD1 4.33Å; M194-T198 WeakPolarHBondContact O-CB 3.44Å; M194-T198 PolarHBondContact O-N 3.44Å; M194-T198 PolarHBondContact O-OG1 3.4Å
195	E	98.5	Very high	95.7	Very high	9 Å²	9	32.7 Å²	32.7	4%	0.042	20%	0.2	C	C	.	.	H	α-helix	trans	-67.1	-42.2	176.1	-69.5	77.6	178.3	0	0	111.3	A148 T151 V161 L163 V183 V192 E193 A199	A148-E195 WeakPolarHBondContact O-CG 3.39Å; T151-E195 HydrophobicContact CG2-CG 4.13Å; T151-E195 WeakPolarHBondContact OG1-CA 3.36Å; V161-E195 WeakPolarHBondContact CG2-OE1 3.42Å; L163-E195 HydrophobicContact CD1-CB 4.36Å; L163-E195 HydrophobicContact CD1-CG 4.04Å; L163-E195 HydrophobicContact CD2-CG 4Å; V183-E195 HydrophobicContact CB-CB 4.34Å; V183-E195 HydrophobicContact CG1-CB 3.86Å; V183-E195 HydrophobicContact CG2-CB 4.15Å; V192-E195 VanDerWaalsContact C-OE2 3.24Å; V192-E195 WeakPolarHBondContact CA-OE2 3.32Å; V192-E195 PolarHBondContact O-N 3.18Å; E193-E195 VanDerWaalsContact C-N 3.33Å; E195-A199 WeakPolarHBondContact O-CB 3.33Å; E195-A199 PolarHBondContact O-N 2.93Å
196	A	98.4	Very high	95.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64.5	-49	174	0	0	0	0	0	111.3	A77 A79 S181 V183 V192 E193 T198 A199 V200	A77-A196 HydrophobicContact CB-CB 3.91Å; A79-A196 HydrophobicContact CB-CB 3.83Å; S181-A196 WeakPolarHBondContact OG-CA 3.46Å; S181-A196 PolarHBondContact OG-O 3.14Å; V183-A196 HydrophobicContact CB-CB 4.45Å; V183-A196 HydrophobicContact CG2-CB 4.1Å; V192-A196 PolarHBondContact O-N 3.09Å; E193-A196 PolarHBondContact O-N 3.38Å; A196-T198 VanDerWaalsContact C-N 3.32Å; A196-T198 PolarHBondContact O-N 2.85Å; A196-A199 WeakPolarHBondContact O-CB 3.15Å; A196-A199 PolarHBondContact O-N 3.41Å; A196-V200 PolarHBondContact O-N 3.44Å; A196-V200 VanDerWaalsContact O-N 3.17Å
197	L	98.7	Very high	96	Very high	39 Å²	39	30.6 Å²	30.6	20%	0.204	19%	0.188	C	C	.	.	H	α-helix	trans	-62.5	-38.4	178.9	-73.4	166.9	0	0	0	112.5	A79 E193 M194 V200 S201 I224	A79-L197 HydrophobicContact CB-CD2 4.03Å; A79-L197 HydrophobicContact CB-CG 4.31Å; E193-L197 WeakPolarHBondContact O-CB 3.31Å; E193-L197 WeakPolarHBondContact O-CG 3.42Å; E193-L197 PolarHBondContact O-N 2.94Å; M194-L197 PolarHBondContact O-N 3.31Å; M194-L197 HydrophobicContact SD-CD1 4.33Å; L197-V200 VanDerWaalsContact O-CG2 3.25Å; L197-V200 WeakPolarHBondContact O-CG2 3.37Å; L197-S201 VanDerWaalsContact O-CB 3.32Å; L197-S201 WeakPolarHBondContact O-CB 3.46Å; L197-S201 PolarHBondContact O-N 3.04Å; L197-S201 VanDerWaalsContact O-N 3.09Å; L197-S201 PolarHBondContact O-OG 3.23Å; L197-I224 HydrophobicContact CD2-CG2 3.95Å
198	T	98.7	Very high	96.5	Very high	10 Å²	10	32.2 Å²	32.2	6%	0.061	18%	0.179	C	C	.	.	H	α-helix	trans	-67.2	-41.1	176.8	-61.2	0	0	0	0	111.2	A147 I154 M194 A196 S201 V202	A147-T198 HydrophobicContact CB-CG2 4Å; I154-T198 HydrophobicContact CD1-CG2 3.96Å; M194-T198 WeakPolarHBondContact O-CB 3.44Å; M194-T198 PolarHBondContact O-N 3.44Å; M194-T198 PolarHBondContact O-OG1 3.4Å; A196-T198 VanDerWaalsContact C-N 3.32Å; A196-T198 PolarHBondContact O-N 2.85Å; T198-S201 PolarHBondContact O-N 3.45Å; T198-V202 HydrophobicContact CG2-CG2 4.43Å; T198-V202 PolarHBondContact O-N 3.46Å
199	A	98.7	Very high	97	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-58.1	-52.8	177.4	0	0	0	0	0	112	G144 A148 V168 E195 A196 S201 A203	G144-A199 WeakPolarHBondContact CA-O 3.4Å; G144-A199 WeakPolarHBondContact O-CB 3.35Å; A148-A199 HydrophobicContact CB-CB 4.12Å; V168-A199 HydrophobicContact CG2-CB 4.3Å; E195-A199 WeakPolarHBondContact O-CB 3.33Å; E195-A199 PolarHBondContact O-N 2.93Å; A196-A199 WeakPolarHBondContact O-CB 3.15Å; A196-A199 PolarHBondContact O-N 3.41Å; A199-S201 VanDerWaalsContact C-N 3.33Å; A199-S201 PolarHBondContact O-N 3.38Å; A199-A203 VanDerWaalsContact O-CB 3.22Å; A199-A203 WeakPolarHBondContact O-CB 2.98Å; A199-A203 PolarHBondContact O-N 3.18Å
200	V	98.7	Very high	97.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-65.2	-36.8	179.3	-64.1	0	0	0	0	112.2	A79 V81 I179 S181 A196 L197 A204 I224	A79-V200 HydrophobicContact CB-CG1 4.15Å; A79-V200 HydrophobicContact CB-CG2 3.97Å; V81-V200 HydrophobicContact CB-CB 4.3Å; V81-V200 HydrophobicContact CG1-CB 3.78Å; V81-V200 HydrophobicContact CG1-CG2 4.5Å; I179-V200 HydrophobicContact CG2-CG1 4.29Å; S181-V200 WeakPolarHBondContact OG-CG1 3.35Å; A196-V200 PolarHBondContact O-N 3.44Å; A196-V200 VanDerWaalsContact O-N 3.17Å; L197-V200 VanDerWaalsContact O-CG2 3.25Å; L197-V200 WeakPolarHBondContact O-CG2 3.37Å; V200-A204 WeakPolarHBondContact O-CB 3.09Å; V200-A204 PolarHBondContact O-N 3Å; V200-I224 HydrophobicContact CG2-CG2 4.12Å
201	S	98.8	Very high	97.7	Very high	33 Å²	33	26.4 Å²	26.4	23%	0.231	14%	0.139	C	C	.	.	H	α-helix	trans	-64.1	-49.9	-179.7	-60.3	0	0	0	0	111.6	L197 T198 A199 A204 L205	L197-S201 VanDerWaalsContact O-CB 3.32Å; L197-S201 WeakPolarHBondContact O-CB 3.46Å; L197-S201 PolarHBondContact O-N 3.04Å; L197-S201 VanDerWaalsContact O-N 3.09Å; L197-S201 PolarHBondContact O-OG 3.23Å; T198-S201 PolarHBondContact O-N 3.45Å; A199-S201 VanDerWaalsContact C-N 3.33Å; A199-S201 PolarHBondContact O-N 3.38Å; S201-A204 PolarHBondContact O-N 2.88Å; S201-L205 WeakPolarHBondContact O-CG 3.39Å; S201-L205 PolarHBondContact O-N 3.28Å
202	V	98.8	Very high	97.7	Very high	41 Å²	41	29.7 Å²	29.7	25%	0.248	15%	0.15	C	C	.	.	H	α-helix	trans	-72.1	-35.6	-179.1	176.7	0	0	0	0	111.5	A143 A147 T198 A204 L205 T206	A143-V202 HydrophobicContact CB-CG1 4.23Å; A147-V202 HydrophobicContact CB-CB 3.46Å; A147-V202 VanDerWaalsContact CB-CB 3.46Å; A147-V202 HydrophobicContact CB-CG1 3.79Å; A147-V202 HydrophobicContact CB-CG2 3.55Å; T198-V202 HydrophobicContact CG2-CG2 4.43Å; T198-V202 PolarHBondContact O-N 3.46Å; V202-A204 VanDerWaalsContact C-N 3.31Å; V202-A204 PolarHBondContact O-N 3Å; V202-L205 PolarHBondContact O-N 2.83Å; V202-T206 WeakPolarHBondContact O-CB 3.49Å; V202-T206 PolarHBondContact O-N 3.46Å; V202-T206 PolarHBondContact O-OG1 3.2Å
203	A	98.7	Very high	97.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-58.8	-43.9	170.9	0	0	0	0	0	111.1	A140 V168 I179 A199 T206 V207	A140-A203 WeakPolarHBondContact O-CB 3.39Å; V168-A203 HydrophobicContact CG1-CB 4.26Å; I179-A203 HydrophobicContact CD1-CB 4.04Å; I179-A203 HydrophobicContact CG2-CB 3.94Å; A199-A203 VanDerWaalsContact O-CB 3.22Å; A199-A203 WeakPolarHBondContact O-CB 2.98Å; A199-A203 PolarHBondContact O-N 3.18Å; A203-T206 WeakPolarHBondContact O-CB 3.48Å; A203-T206 PolarHBondContact O-N 3.18Å; A203-V207 WeakPolarHBondContact O-CG2 3.49Å; A203-V207 PolarHBondContact O-N 3.08Å
204	A	98.6	Very high	97.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-65.2	-42.4	177.2	0	0	0	0	0	113.2	V81 I83 I179 V200 S201 V202 T206 V207 Y208 I221	V81-A204 HydrophobicContact CG1-CB 3.94Å; V81-A204 HydrophobicContact CG2-CB 4.13Å; I83-A204 HydrophobicContact CD1-CB 3.89Å; I83-A204 HydrophobicContact CG1-CB 4.24Å; I179-A204 HydrophobicContact CD1-CB 4.15Å; V200-A204 WeakPolarHBondContact O-CB 3.09Å; V200-A204 PolarHBondContact O-N 3Å; S201-A204 PolarHBondContact O-N 2.88Å; V202-A204 VanDerWaalsContact C-N 3.31Å; V202-A204 PolarHBondContact O-N 3Å; A204-T206 PolarHBondContact O-N 2.86Å; A204-V207 PolarHBondContact O-N 3.08Å; A204-Y208 PolarHBondContact O-N 3.21Å; A204-I221 HydrophobicContact CB-CD1 3.99Å; A204-I221 HydrophobicContact CB-CG1 4.28Å; A204-I221 HydrophobicContact CB-CG2 3.89Å
205	L	98.6	Very high	96.8	Very high	106 Å²	106	32.9 Å²	32.9	56%	0.555	17%	0.173	S	C	*	.	H	α-helix	trans	-60.5	-34.6	172.9	-70	173.7	0	0	0	111.9	S201 V202 Y208 D209 I221	S201-L205 WeakPolarHBondContact O-CG 3.39Å; S201-L205 PolarHBondContact O-N 3.28Å; V202-L205 PolarHBondContact O-N 2.83Å; L205-Y208 WeakPolarHBondContact O-CB 3.23Å; L205-Y208 PolarHBondContact O-N 3.46Å; L205-D209 WeakPolarHBondContact O-CB 3.13Å; L205-D209 PolarHBondContact O-N 3.22Å; L205-I221 HydrophobicContact CD2-CD1 3.97Å
206	T	98.4	Very high	96.5	Very high	25 Å²	25	39.8 Å²	39.8	15%	0.153	20%	0.203	C	C	.	.	H	α-helix	trans	-70.7	-42.9	177.1	-56.6	0	0	0	0	111.4	V139 A140 A143 V202 A203 A204 Y208 D209 M210	V139-T206 HydrophobicContact CB-CG2 4.49Å; V139-T206 HydrophobicContact CG1-CG2 3.75Å; A140-T206 HydrophobicContact CB-CG2 4.16Å; A143-T206 HydrophobicContact CB-CG2 4Å; A143-T206 WeakPolarHBondContact CB-OG1 3.48Å; V202-T206 WeakPolarHBondContact O-CB 3.49Å; V202-T206 PolarHBondContact O-N 3.46Å; V202-T206 PolarHBondContact O-OG1 3.2Å; A203-T206 WeakPolarHBondContact O-CB 3.48Å; A203-T206 PolarHBondContact O-N 3.18Å; A204-T206 PolarHBondContact O-N 2.86Å; T206-Y208 VanDerWaalsContact C-N 3.31Å; T206-Y208 PolarHBondContact O-N 3Å; T206-D209 PolarHBondContact O-N 3.1Å; T206-M210 HydrophobicContact CG2-CG 4.48Å; T206-M210 WeakPolarHBondContact O-CB 3.48Å; T206-M210 WeakPolarHBondContact O-CG 3.15Å; T206-M210 PolarHBondContact O-N 2.81Å
207	V	97	Very high	96.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-58.2	-46.1	172	172.1	0	0	0	0	110.5	I83 V136 A140 I177 I179 A203 A204 D209 M210 L211	I83-V207 HydrophobicContact CD1-CB 3.63Å; I83-V207 HydrophobicContact CD1-CG1 3.59Å; I83-V207 HydrophobicContact CD1-CG2 4.16Å; V136-V207 HydrophobicContact CG1-CB 4.3Å; V136-V207 HydrophobicContact CG1-CG1 4.16Å; V136-V207 HydrophobicContact CG1-CG2 4.09Å; A140-V207 HydrophobicContact CB-CG2 3.59Å; I177-V207 HydrophobicContact CD1-CG1 3.7Å; I179-V207 HydrophobicContact CD1-CG2 3.95Å; A203-V207 WeakPolarHBondContact O-CG2 3.49Å; A203-V207 PolarHBondContact O-N 3.08Å; A204-V207 PolarHBondContact O-N 3.08Å; V207-D209 PolarHBondContact O-N 3.32Å; V207-M210 PolarHBondContact O-N 2.93Å; V207-L211 HydrophobicContact CG1-CD1 3.6Å; V207-L211 HydrophobicContact CG1-CG 4.22Å; V207-L211 WeakPolarHBondContact O-CB 3.38Å; V207-L211 WeakPolarHBondContact O-CG 3.44Å; V207-L211 PolarHBondContact O-N 3.28Å
208	Y	97.5	Very high	95.9	Very high	84 Å²	84	43.6 Å²	43.6	33%	0.329	23%	0.234	S	C	.	.	H	α-helix	trans	-56.5	-49.3	175.1	-174.6	-76.8	0	0	0	111.4	A204 L205 T206 M210 L211 K212 I219	A204-Y208 PolarHBondContact O-N 3.21Å; L205-Y208 WeakPolarHBondContact O-CB 3.23Å; L205-Y208 PolarHBondContact O-N 3.46Å; T206-Y208 VanDerWaalsContact C-N 3.31Å; T206-Y208 PolarHBondContact O-N 3Å; Y208-M210 PolarHBondContact O-N 2.83Å; Y208-L211 PolarHBondContact O-N 3.43Å; Y208-K212 HydrophobicContact CD1-CB 4.37Å; Y208-K212 HydrophobicContact CE1-CB 4.11Å; Y208-K212 HydrophobicContact CE1-CD 4.37Å; Y208-K212 WeakPolarHBondContact O-CB 3.47Å; Y208-K212 PolarHBondContact O-N 3.12Å; Y208-I219 HydrophobicContact CD2-CB 3.81Å; Y208-I219 HydrophobicContact CD2-CG2 3.56Å; Y208-I219 HydrophobicContact CE2-CB 3.77Å; Y208-I219 HydrophobicContact CE2-CG2 4.06Å; Y208-I219 HydrophobicContact CG-CG2 4.46Å
209	D	97.8	Very high	95.8	Very high	69 Å²	69	43.8 Å²	43.8	37%	0.369	24%	0.235	S	C	.	.	H	α-helix	trans	-60.3	-35.2	-179.2	-175.5	64.4	0	0	0	113	K133 L205 T206 V207 K212	K133-D209 PolarHBondContact NZ-O 3.32Å; K133-D209 IonicContact NZ-OD2 2.62Å; K133-D209 PolarHBondContact NZ-OD2 2.74Å; L205-D209 WeakPolarHBondContact O-CB 3.13Å; L205-D209 PolarHBondContact O-N 3.22Å; T206-D209 PolarHBondContact O-N 3.1Å; V207-D209 PolarHBondContact O-N 3.32Å; D209-K212 PolarHBondContact O-NZ 3.43Å; D209-K212 IonicContact OD1-NZ 3.77Å; D209-K212 PolarHBondContact OD1-NZ 2.83Å; D209-K212 IonicContact OD2-NZ 3.99Å
210	M	96.4	Very high	95.8	Very high	10 Å²	10	47.9 Å²	47.9	5%	0.049	26%	0.256	C	S	.	.	H	α-helix	trans	-78	-33.9	179.5	-67.2	-64.6	-78.9	0	0	113.1	K133 V136 V139 T206 V207 Y208 P213	K133-M210 HydrophobicContact CB-CE 3.72Å; K133-M210 HydrophobicContact CB-SD 3.89Å; K133-M210 HydrophobicContact CD-SD 4.22Å; K133-M210 PolarHBondContact NZ-SD 3.28Å; V136-M210 HydrophobicContact CB-CB 4.15Å; V136-M210 HydrophobicContact CG1-CB 3.74Å; V136-M210 HydrophobicContact CG1-CG 4.33Å; V136-M210 HydrophobicContact CG2-CB 3.7Å; V136-M210 HydrophobicContact CG2-CE 4.37Å; V136-M210 HydrophobicContact CG2-CG 4.5Å; V139-M210 HydrophobicContact CG2-CE 4.35Å; T206-M210 HydrophobicContact CG2-CG 4.48Å; T206-M210 WeakPolarHBondContact O-CB 3.48Å; T206-M210 WeakPolarHBondContact O-CG 3.15Å; T206-M210 PolarHBondContact O-N 2.81Å; V207-M210 PolarHBondContact O-N 2.93Å; Y208-M210 PolarHBondContact O-N 2.83Å; M210-P213 WeakPolarHBondContact O-CD 3.23Å
211	L	94.7	Very high	95.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-93.8	-21.9	-177.7	-64.9	-178.8	0	0	0	114.7	I85 I89 L129 T131 V136 I177 V207 Y208 P213 L214 Q215 I219	I85-L211 HydrophobicContact CG2-CD1 4.4Å; I89-L211 HydrophobicContact CD1-CB 4.38Å; I89-L211 HydrophobicContact CG2-CD1 4.14Å; I89-L211 HydrophobicContact CG2-CD2 4.5Å; L129-L211 HydrophobicContact CD2-CD2 3.92Å; T131-L211 HydrophobicContact CG2-CD2 4.26Å; V136-L211 HydrophobicContact CG1-CG 4.36Å; V136-L211 HydrophobicContact CG2-CD2 4.01Å; I177-L211 HydrophobicContact CD1-CD1 3.65Å; V207-L211 HydrophobicContact CG1-CD1 3.6Å; V207-L211 HydrophobicContact CG1-CG 4.22Å; V207-L211 WeakPolarHBondContact O-CB 3.38Å; V207-L211 WeakPolarHBondContact O-CG 3.44Å; V207-L211 PolarHBondContact O-N 3.28Å; Y208-L211 PolarHBondContact O-N 3.43Å; L211-P213 WeakPolarHBondContact O-CD 3.33Å; L211-L214 HydrophobicContact CD2-CD1 4.29Å; L211-L214 WeakPolarHBondContact O-CB 3.47Å; L211-L214 PolarHBondContact O-N 3.36Å; L211-Q215 PolarHBondContact O-N 2.7Å; L211-I219 HydrophobicContact CB-CD1 3.82Å
212	K	94.5	Very high	95.7	Very high	78 Å²	78	51.4 Å²	51.4	34%	0.339	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-27.5	179.7	73.5	175.4	-169.3	-65.9	0	115.6	Y208 D209 L214 Q215	Y208-K212 HydrophobicContact CD1-CB 4.37Å; Y208-K212 HydrophobicContact CE1-CB 4.11Å; Y208-K212 HydrophobicContact CE1-CD 4.37Å; Y208-K212 WeakPolarHBondContact O-CB 3.47Å; Y208-K212 PolarHBondContact O-N 3.12Å; D209-K212 PolarHBondContact O-NZ 3.43Å; D209-K212 IonicContact OD1-NZ 3.77Å; D209-K212 PolarHBondContact OD1-NZ 2.83Å; D209-K212 IonicContact OD2-NZ 3.99Å; K212-L214 VanDerWaalsContact C-N 3.31Å; K212-Q215 WeakPolarHBondContact O-CG 3.29Å
213	P	93.1	Very high	95.5	Very high	85 Å²	85	55.3 Å²	55.3	55%	0.552	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-20.8	174.6	-17.6	34.1	0	0	0	114.1	K133 M210 L211	K133-P213 HydrophobicContact CD-CG 4.03Å; M210-P213 WeakPolarHBondContact O-CD 3.23Å; L211-P213 WeakPolarHBondContact O-CD 3.33Å
214	L	90.9	Very high	95.5	Very high	29 Å²	29	59 Å²	59	15%	0.152	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-18.2	178.6	-60.1	178.9	0	0	0	112.4	Y88 F92 T131 L211 K212 K216	Y88-L214 VanDerWaalsContact CD1-O 3.23Å; Y88-L214 WeakPolarHBondContact CD1-O 3.34Å; Y88-L214 VanDerWaalsContact CE1-O 3.31Å; Y88-L214 WeakPolarHBondContact CE1-O 3.16Å; F92-L214 HydrophobicContact CD1-CD1 3.79Å; F92-L214 HydrophobicContact CE1-CD1 3.43Å; F92-L214 VanDerWaalsContact CE1-CD1 3.43Å; F92-L214 HydrophobicContact CE2-CD1 4.29Å; F92-L214 HydrophobicContact CG-CD1 4.33Å; F92-L214 HydrophobicContact CZ-CD1 3.71Å; T131-L214 HydrophobicContact CG2-CD1 3.78Å; L211-L214 HydrophobicContact CD2-CD1 4.29Å; L211-L214 WeakPolarHBondContact O-CB 3.47Å; L211-L214 PolarHBondContact O-N 3.36Å; K212-L214 VanDerWaalsContact C-N 3.31Å; L214-K216 PolarHBondContact O-N 3.18Å
215	Q	88.5	Confident	95.4	Very high	73 Å²	73	61 Å²	61	34%	0.341	31%	0.312	S	S	.	.			trans	-60.5	133.6	-172.3	83.5	-167.2	-8	0	0	111.8	I89 L211 K212 I219	I89-Q215 HydrophobicContact CD1-CB 4.18Å; L211-Q215 PolarHBondContact O-N 2.7Å; K212-Q215 WeakPolarHBondContact O-CG 3.29Å; Q215-I219 HydrophobicContact CB-CD1 3.92Å; Q215-I219 HydrophobicContact CB-CG1 4.13Å
216	K	91.6	Very high	95.3	Very high	154 Å²	154	57.7 Å²	57.7	67%	0.67	29%	0.294	S	S	*	.	S	Bend	trans	-114.4	-16.3	168	-67.1	-172.5	-178.3	173.6	0	111.9	D86 Y88 L214	D86-K216 PolarHBondContact OD2-N 3.28Å; Y88-K216 HydrophobicContact CD1-CD 3.98Å; Y88-K216 HydrophobicContact CD1-CG 3.97Å; Y88-K216 HydrophobicContact CD2-CD 3.73Å; Y88-K216 VanDerWaalsContact CD2-NZ 3.32Å; Y88-K216 HydrophobicContact CE1-CD 4.38Å; Y88-K216 HydrophobicContact CE1-CG 4.46Å; Y88-K216 HydrophobicContact CE2-CD 4.15Å; Y88-K216 VanDerWaalsContact CE2-CE 3.46Å; Y88-K216 HydrophobicContact CG-CD 3.63Å; Y88-K216 HydrophobicContact CG-CG 4.03Å; L214-K216 PolarHBondContact O-N 3.18Å
217	G	92.7	Very high	95.2	Very high	27 Å²	27	56.8 Å²	56.8	28%	0.278	29%	0.288	S	S	.	.	S	Bend	trans	-129.9	-163.9	173.7	0	0	0	0	0	111.4	D86	D86-G217 PolarHBondContact OD2-N 2.94Å
218	P	92.3	Very high	95.1	Very high	91 Å²	91	58.7 Å²	58.7	59%	0.591	30%	0.298	S	S	*	.			trans	-73.8	137.4	-178.4	30.2	-34	0	0	0	111.8	I220	P218-I220 HydrophobicContact CB-CD1 4.36Å; P218-I220 HydrophobicContact CB-CG1 4.15Å
219	I	96.1	Very high	94.9	Very high	15 Å²	15	56.1 Å²	56.1	8%	0.077	29%	0.288	C	S	.	.			trans	-102.3	120.4	160.8	-57.5	178.3	0	0	0	107.2	I83 C84 I89 Y208 L211 Q215	I83-I219 HydrophobicContact CG2-CG2 3.56Å; C84-I219 WeakPolarHBondContact O-CA 3.47Å; I89-I219 HydrophobicContact CD1-CD1 3.73Å; I89-I219 HydrophobicContact CD1-CG1 3.85Å; Y208-I219 HydrophobicContact CD2-CB 3.81Å; Y208-I219 HydrophobicContact CD2-CG2 3.56Å; Y208-I219 HydrophobicContact CE2-CB 3.77Å; Y208-I219 HydrophobicContact CE2-CG2 4.06Å; Y208-I219 HydrophobicContact CG-CG2 4.46Å; L211-I219 HydrophobicContact CB-CD1 3.82Å; Q215-I219 HydrophobicContact CB-CD1 3.92Å; Q215-I219 HydrophobicContact CB-CG1 4.13Å
220	I	97.5	Very high	94.5	Very high	86 Å²	86	56.2 Å²	56.2	44%	0.441	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	118.9	-175.6	-53.8	173.3	0	0	0	109	I83 C84 P218 E222	I83-I220 CarbonylContact C-O 3.53Å; I83-I220 WeakPolarHBondContact CA-O 3.3Å; C84-I220 HydrophobicContact CB-CB 4.14Å; C84-I220 PolarHBondContact N-O 3.42Å; C84-I220 PolarHBondContact O-N 3.23Å; P218-I220 HydrophobicContact CB-CD1 4.36Å; P218-I220 HydrophobicContact CB-CG1 4.15Å; I220-E222 HydrophobicContact CG2-CB 4.48Å
221	I	98.2	Very high	93.9	Very high	54 Å²	54	56.7 Å²	56.7	28%	0.277	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	122.1	168.9	-58.2	173.9	0	0	0	107.5	V81 I83 A204 L205 I224	V81-I221 HydrophobicContact CG2-CG2 3.55Å; I83-I221 HydrophobicContact CG1-CG1 4.48Å; A204-I221 HydrophobicContact CB-CD1 3.99Å; A204-I221 HydrophobicContact CB-CG1 4.28Å; A204-I221 HydrophobicContact CB-CG2 3.89Å; L205-I221 HydrophobicContact CD2-CD1 3.97Å; I221-I224 HydrophobicContact CG2-CD1 4.13Å; I221-I224 HydrophobicContact CG2-CG1 4.32Å
222	E	97.3	Very high	93.1	Very high	52 Å²	52	57.9 Å²	57.9	24%	0.243	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	161.6	-176.7	63.4	168	-147.3	0	0	112.3	V81 F82 K176 I220 I224	V81-E222 WeakPolarHBondContact CG2-O 3.14Å; F82-E222 HydrophobicContact CB-CG 4.06Å; F82-E222 PolarHBondContact N-O 2.83Å; F82-E222 PolarHBondContact O-N 3.25Å; F82-E222 VanDerWaalsContact O-O 3.04Å; K176-E222 IonicContact NZ-OE1 2.6Å; K176-E222 PolarHBondContact NZ-OE1 3.42Å; I220-E222 HydrophobicContact CG2-CB 4.48Å; E222-I224 PolarHBondContact O-N 2.86Å
223	K	95.5	Very high	92	Very high	124 Å²	124	60.4 Å²	60.4	54%	0.539	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	54.5	46.2	172.7	-57.5	-176.9	179.5	-176.6	0	113.6	F82 E225	F82-K223 HydrophobicContact CD2-CB 4.11Å; F82-K223 HydrophobicContact CD2-CD 4.17Å; K223-E225 PolarHBondContact O-N 3.44Å
224	I	98	Very high	91.2	Very high	78 Å²	78	65.3 Å²	65.3	40%	0.4	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	113.7	164.8	-61.1	170.6	0	0	0	107.4	Q80 V81 L197 V200 I221 E222	Q80-I224 WeakPolarHBondContact O-CA 3.44Å; V81-I224 HydrophobicContact CB-CG1 3.92Å; V81-I224 HydrophobicContact CG2-CD1 4.37Å; V81-I224 HydrophobicContact CG2-CG1 3.43Å; V81-I224 VanDerWaalsContact CG2-CG1 3.43Å; L197-I224 HydrophobicContact CD2-CG2 3.95Å; V200-I224 HydrophobicContact CG2-CG2 4.12Å; I221-I224 HydrophobicContact CG2-CD1 4.13Å; I221-I224 HydrophobicContact CG2-CG1 4.32Å; E222-I224 PolarHBondContact O-N 2.86Å
225	E	97	Very high	90.6	Very high	42 Å²	42	65.8 Å²	65.8	20%	0.196	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	153.4	-173.6	64.3	-170.9	-169.6	0	0	113.8	A79 Q80 K223 K239	A79-E225 CarbonylContact C-O 3.58Å; A79-E225 WeakPolarHBondContact CA-O 3.48Å; A79-E225 WeakPolarHBondContact CB-O 3.5Å; Q80-E225 HydrophobicContact CG-CG 3.68Å; Q80-E225 PolarHBondContact N-O 3.44Å; Q80-E225 PolarHBondContact NE2-OE1 3.18Å; Q80-E225 PolarHBondContact O-N 2.94Å; K223-E225 PolarHBondContact O-N 3.44Å; E225-K239 IonicContact OE1-NZ 2.78Å; E225-K239 PolarHBondContact OE1-NZ 3.12Å; E225-K239 IonicContact OE2-NZ 2.63Å; E225-K239 PolarHBondContact OE2-NZ 2.78Å
226	L	97.2	Very high	90.2	Very high	35 Å²	35	66.1 Å²	66.1	18%	0.183	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	125.9	172.3	-168.9	73.8	0	0	0	109.2	A77 K78 E193 K229 Y237	A77-L226 HydrophobicContact CB-CD1 4.13Å; K78-L226 WeakPolarHBondContact O-CD1 3.45Å; E193-L226 HydrophobicContact CB-CD1 4.05Å; E193-L226 HydrophobicContact CB-CD2 4.25Å; E193-L226 HydrophobicContact CG-CD1 4.22Å; E193-L226 HydrophobicContact CG-CD2 3.85Å; L226-K229 HydrophobicContact CD2-CB 4.25Å; L226-Y237 HydrophobicContact CB-CE1 4.45Å; L226-Y237 HydrophobicContact CD2-CD1 3.94Å; L226-Y237 HydrophobicContact CD2-CE1 4.25Å; L226-Y237 HydrophobicContact CG-CD1 4.33Å; L226-Y237 HydrophobicContact CG-CE1 4.37Å; L226-Y237 WeakPolarHBondContact O-CE1 3.39Å
227	L	95.8	Very high	89.8	Confident	6 Å²	6	63.9 Å²	63.9	3%	0.031	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-45.4	175.7	-69.3	-174	0	0	0	111.9	K78 Q80 K239 A242	K78-L227 HydrophobicContact CB-CB 4.2Å; K78-L227 HydrophobicContact CD-CB 4.4Å; K78-L227 HydrophobicContact CD-CD1 4.21Å; K78-L227 HydrophobicContact CG-CB 4.22Å; K78-L227 HydrophobicContact CG-CD1 4.17Å; K78-L227 PolarHBondContact O-N 2.85Å; Q80-L227 HydrophobicContact CB-CD1 3.95Å; Q80-L227 HydrophobicContact CB-CG 4.16Å; Q80-L227 VanDerWaalsContact CD-CD2 3.47Å; Q80-L227 HydrophobicContact CG-CD1 4.08Å; Q80-L227 HydrophobicContact CG-CD2 3.79Å; Q80-L227 HydrophobicContact CG-CG 3.88Å; L227-K239 HydrophobicContact CD2-CD 4.24Å; L227-K239 WeakPolarHBondContact O-CB 3.36Å; L227-K239 PolarHBondContact O-N 3.12Å; L227-A242 HydrophobicContact CB-CB 4.13Å; L227-A242 HydrophobicContact CD2-CB 3.89Å; L227-A242 HydrophobicContact CG-CB 4.48Å
228	E	94.3	Very high	89.4	Confident	41 Å²	41	67.2 Å²	67.2	19%	0.192	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	153.1	-177.9	95.3	-162.2	-179.1	0	0	111.1	A77 K78 Q182 Y237 L238	A77-E228 VanDerWaalsContact CA-O 3.32Å; A77-E228 WeakPolarHBondContact CA-O 3.48Å; K78-E228 HydrophobicContact CB-CB 4.11Å; K78-E228 HydrophobicContact CB-CG 3.4Å; K78-E228 VanDerWaalsContact CB-CG 3.4Å; K78-E228 HydrophobicContact CD-CG 4.46Å; K78-E228 PolarHBondContact N-O 2.84Å; K78-E228 PolarHBondContact O-N 3.28Å; Q182-E228 PolarHBondContact NE2-OE1 3.43Å; Q182-E228 PolarHBondContact OE1-OE1 2.83Å; E228-Y237 CarbonylContact C-O 3.55Å; E228-Y237 VanDerWaalsContact CA-O 3.23Å; E228-Y237 WeakPolarHBondContact CA-O 3.26Å; E228-L238 HydrophobicContact CB-CD2 3.69Å
229	K	93.1	Very high	88.7	Confident	29 Å²	29	66 Å²	66	13%	0.126	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	133	164.5	176.5	-161.9	176.7	170.9	0	108.2	S76 E193 L226 G231 S236 Y237	S76-K229 CarbonylContact O-C 3.46Å; S76-K229 VanDerWaalsContact O-CA 3.26Å; S76-K229 WeakPolarHBondContact O-CA 3.37Å; E193-K229 VanDerWaalsContact CD-CE 3.44Å; E193-K229 HydrophobicContact CG-CB 4.3Å; E193-K229 HydrophobicContact CG-CD 3.77Å; E193-K229 HydrophobicContact CG-CG 3.96Å; E193-K229 WeakPolarHBondContact OE1-CD 3.41Å; E193-K229 WeakPolarHBondContact OE1-CE 3.15Å; E193-K229 IonicContact OE1-NZ 2.67Å; E193-K229 PolarHBondContact OE1-NZ 3.38Å; E193-K229 IonicContact OE2-NZ 2.6Å; L226-K229 HydrophobicContact CD2-CB 4.25Å; K229-G231 WeakPolarHBondContact CE-O 3.34Å; K229-S236 CarbonylContact O-C 3.55Å; K229-S236 WeakPolarHBondContact O-CA 3.27Å; K229-S236 WeakPolarHBondContact O-CB 3.38Å; K229-Y237 PolarHBondContact N-O 3.14Å; K229-Y237 PolarHBondContact O-N 3.46Å
230	L	90	Very high	87	Confident	71 Å²	71	73.4 Å²	73.4	37%	0.372	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	137.3	172.4	-55.1	174.2	0	0	0	109.9	R75 S76 S236	R75-L230 WeakPolarHBondContact CA-O 3.47Å; S76-L230 PolarHBondContact N-O 2.98Å; S76-L230 PolarHBondContact O-N 3.21Å; L230-S236 WeakPolarHBondContact CD2-OG 3.48Å
231	G	83.4	Confident	85	Confident	20 Å²	20	72.8 Å²	72.8	21%	0.206	41%	0.408	C	S	.	.			trans	90.4	164.4	174.6	0	0	0	0	0	115.5	K229	K229-G231 WeakPolarHBondContact CE-O 3.34Å
232	G	77.3	Confident	82.7	Confident	26 Å²	26	71.9 Å²	71.9	27%	0.268	41%	0.409	S	S	.	.	S	Bend	trans	97.4	168.3	-175.5	0	0	0	0	0	113.4	R75 K234 G235	R75-G232 VanDerWaalsContact CZ-CA 3.44Å; G232-K234 PolarHBondContact O-N 2.78Å; G232-G235 PolarHBondContact O-N 3.06Å
233	S	72.4	Confident	79.8	Confident	130 Å²	130	74.1 Å²	74.1	91%	0.909	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-24.8	-176	53	0	0	0	0	113.9	G235	S233-G235 PolarHBondContact O-N 2.57Å
234	K	77	Confident	76.8	Confident	189 Å²	189	80.1 Å²	80.1	82%	0.822	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	1.9	179.3	-63.1	-171.7	177.8	-177	0	113.8	G232	G232-K234 PolarHBondContact O-N 2.78Å
235	G	76.4	Confident	75.7	Confident	38 Å²	38	80.3 Å²	80.3	39%	0.392	46%	0.459	S	S	.	.			trans	75.9	-176.1	-177.2	0	0	0	0	0	113.7	G232 S233	G232-G235 PolarHBondContact O-N 3.06Å; S233-G235 PolarHBondContact O-N 2.57Å
236	S	80.3	Confident	74.6	Confident	80 Å²	80	82.3 Å²	82.3	56%	0.559	47%	0.473	S	S	*	.			trans	-82.2	143.1	178	-62	0	0	0	0	111.1	K229 L230	K229-S236 CarbonylContact O-C 3.55Å; K229-S236 WeakPolarHBondContact O-CA 3.27Å; K229-S236 WeakPolarHBondContact O-CB 3.38Å; L230-S236 WeakPolarHBondContact CD2-OG 3.48Å
237	Y	84.1	Confident	73.3	Confident	107 Å²	107	84.9 Å²	84.9	42%	0.42	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	133.5	170.5	169.3	-96.1	0	0	0	108.7	L226 E228 K229 K239	L226-Y237 HydrophobicContact CB-CE1 4.45Å; L226-Y237 HydrophobicContact CD2-CD1 3.94Å; L226-Y237 HydrophobicContact CD2-CE1 4.25Å; L226-Y237 HydrophobicContact CG-CD1 4.33Å; L226-Y237 HydrophobicContact CG-CE1 4.37Å; L226-Y237 WeakPolarHBondContact O-CE1 3.39Å; E228-Y237 CarbonylContact C-O 3.55Å; E228-Y237 VanDerWaalsContact CA-O 3.23Å; E228-Y237 WeakPolarHBondContact CA-O 3.26Å; K229-Y237 PolarHBondContact N-O 3.14Å; K229-Y237 PolarHBondContact O-N 3.46Å; Y237-K239 HydrophobicContact CE1-CB 4.13Å
238	L	83.3	Confident	72	Confident	98 Å²	98	89.5 Å²	89.5	51%	0.513	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	122.5	169.9	-73.8	166	0	0	0	106.7	E228 L240	E228-L238 HydrophobicContact CB-CD2 3.69Å; L238-L240 PolarHBondContact O-N 2.74Å
239	K	77.7	Confident	70.6	Confident	66 Å²	66	92.6 Å²	92.6	29%	0.287	54%	0.536	S	S	.	.			trans	-65.5	123.6	172.5	-176.5	178.5	175.2	-176.6	0	108.1	E225 L227 Y237 G241 A242	E225-K239 IonicContact OE1-NZ 2.78Å; E225-K239 PolarHBondContact OE1-NZ 3.12Å; E225-K239 IonicContact OE2-NZ 2.63Å; E225-K239 PolarHBondContact OE2-NZ 2.78Å; L227-K239 HydrophobicContact CD2-CD 4.24Å; L227-K239 WeakPolarHBondContact O-CB 3.36Å; L227-K239 PolarHBondContact O-N 3.12Å; Y237-K239 HydrophobicContact CE1-CB 4.13Å; K239-G241 PolarHBondContact O-N 3.16Å; K239-G241 VanDerWaalsContact O-N 3.09Å; K239-A242 HydrophobicContact CB-CB 4.15Å; K239-A242 WeakPolarHBondContact O-CB 3.21Å; K239-A242 PolarHBondContact O-N 3.24Å
240	L	61.7	Low	69.1	Low	170 Å²	170	96.8 Å²	96.8	89%	0.89	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56	119.7	170.9	-86.9	92.4	0	0	0	108.6	L238	L238-L240 PolarHBondContact O-N 2.74Å
241	G	54.8	Low	67.6	Low	73 Å²	73	98.6 Å²	98.6	75%	0.753	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	102	-5.1	-176	0	0	0	0	0	115.8	K239 S243	K239-G241 PolarHBondContact O-N 3.16Å; K239-G241 VanDerWaalsContact O-N 3.09Å; G241-S243 VanDerWaalsContact C-N 3.33Å
242	A	49.1	Very low	66.4	Low	35 Å²	35	104.7 Å²	104.7	29%	0.289	61%	0.606	S	S	.	*	S	Bend	trans	-81	-12.2	174.2	0	0	0	0	0	113.9	L227 K239	L227-A242 HydrophobicContact CB-CB 4.13Å; L227-A242 HydrophobicContact CD2-CB 3.89Å; L227-A242 HydrophobicContact CG-CB 4.48Å; K239-A242 HydrophobicContact CB-CB 4.15Å; K239-A242 WeakPolarHBondContact O-CB 3.21Å; K239-A242 PolarHBondContact O-N 3.24Å
243	S	36.4	Very low	65.5	Low	98 Å²	98	111.3 Å²	111.3	69%	0.685	63%	0.634	S	S	*	*			trans	-110.7	90.6	168	-71.1	0	0	0	0	109.4	G241	G241-S243 VanDerWaalsContact C-N 3.33Å
244	K	33	Very low	64.9	Low	251 Å²	251	109.5 Å²	109.5	100%	1.091	61%	0.609	S	S	*	*			trans	-179.5	0	147.7	-98.4	167.7	-172.7	-170.9	0	108.9

Retrieved 244 of 244 residues in 45 ms (Link to these results)

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