A0A5K4FE55_SCHMA Loading...

Acid-sensing ion channel 1

AlphaFold DB , UniProt , Accession A0A5K4FE55, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 611 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	33.8	Very low	34.1	Very low	241 Å²	241	162.8 Å²	162.8	100%	1.187	87%	0.87	S	S	*	*				0	104.6	0	-72.7	170.9	169.1	0	0	106.4
2	L	30.6	Very low	33.9	Very low	171 Å²	171	168.7 Å²	168.7	90%	0.895	87%	0.87	S	S	*	*	P	Polyproline II helix	trans	-77.1	125.5	-178	-80.2	144.8	0	0	0	109.2
3	P	37.5	Very low	33.8	Very low	126 Å²	126	167.1 Å²	167.1	82%	0.818	87%	0.873	S	S	*	*	P	Polyproline II helix	trans	-84	134.7	175.1	-2.8	21.5	0	0	0	111.2
4	N	38.8	Very low	33.3	Very low	152 Å²	152	168.4 Å²	168.4	81%	0.813	87%	0.873	S	S	*	*	P	Polyproline II helix	trans	-81.7	167.3	177.7	-81.5	-28.9	0	0	0	112.8
5	S	39.9	Very low	33	Very low	99 Å²	99	168.9 Å²	168.9	69%	0.692	87%	0.873	S	S	*	*			trans	70.7	97.8	154.2	59.4	0	0	0	0	117.9	D7	S5-D7 VanDerWaalsContact C-N 3.26Å; S5-D7 PolarHBondContact O-N 3.43Å; S5-D7 VanDerWaalsContact O-N 3.14Å
6	L	31	Very low	32.9	Very low	180 Å²	180	167.8 Å²	167.8	94%	0.942	87%	0.869	S	S	*	*			trans	-69.9	73.4	157	-168.4	85.2	0	0	0	109.6
7	D	35.2	Very low	32.5	Very low	136 Å²	136	162.4 Å²	162.4	73%	0.727	86%	0.863	S	S	*	*			trans	-137.1	78.7	168.5	-79.7	-38.3	0	0	0	107.2	S5	S5-D7 VanDerWaalsContact C-N 3.26Å; S5-D7 PolarHBondContact O-N 3.43Å; S5-D7 VanDerWaalsContact O-N 3.14Å
8	D	33.9	Very low	32.4	Very low	162 Å²	162	162.8 Å²	162.8	87%	0.866	86%	0.864	S	S	*	*			trans	178.8	59.2	165.6	-99.6	-14.1	0	0	0	114.4
9	I	32.8	Very low	32.3	Very low	167 Å²	167	162 Å²	162	86%	0.856	86%	0.86	S	S	*	*			trans	-144.8	46.6	158.5	-42.2	176.2	0	0	0	112.5
10	L	32.4	Very low	31.9	Very low	178 Å²	178	160.4 Å²	160.4	93%	0.932	86%	0.856	S	S	*	*			trans	-139.5	47.3	165.4	-119	125.9	0	0	0	113.6
11	E	28.9	Very low	31.9	Very low	179 Å²	179	159.3 Å²	159.3	84%	0.836	86%	0.856	S	S	*	*			trans	-101	95.3	151	-82.9	-166.9	154.5	0	0	109.5
12	R	31.6	Very low	31.5	Very low	233 Å²	233	154.8 Å²	154.8	88%	0.879	84%	0.836	S	S	*	*			trans	-175.2	83	147.7	-105.9	177.6	-148.1	-129.1	5.3	110.1
13	T	32.4	Very low	31.5	Very low	148 Å²	148	153.5 Å²	153.5	91%	0.908	83%	0.83	S	S	*	*			trans	-178.1	62.3	138.9	39.8	0	0	0	0	109.6
14	Q	27.3	Very low	31.2	Very low	186 Å²	186	154.2 Å²	154.2	87%	0.869	83%	0.827	S	S	*	*			trans	-86.8	119.6	151.9	-73.6	-175.8	-13.9	0	0	107.4
15	M	28.9	Very low	30.7	Very low	176 Å²	176	154.2 Å²	154.2	87%	0.867	83%	0.828	S	S	*	*			trans	-163	135.9	139.4	-99.7	-157.6	-171.5	0	0	110.6
16	N	32.1	Very low	30.4	Very low	151 Å²	151	157.2 Å²	157.2	81%	0.807	83%	0.83	S	S	*	*			trans	92.4	86.5	163.7	-55.2	-13.8	0	0	0	116.1
17	G	25.9	Very low	30.5	Very low	75 Å²	75	154.9 Å²	154.9	77%	0.773	82%	0.819	S	S	*	*			trans	-68.6	154.3	158.2	0	0	0	0	0	112.5
18	I	31.1	Very low	30.5	Very low	171 Å²	171	155 Å²	155	88%	0.877	82%	0.819	S	S	*	*			trans	-135.8	139.1	154.9	-65.5	-176.8	0	0	0	107.9
19	N	30	Very low	30.3	Very low	147 Å²	147	154.7 Å²	154.7	79%	0.786	82%	0.818	S	S	*	*			trans	-49.7	143.3	-166.6	-69.8	-37.3	0	0	0	118
20	T	24.5	Very low	30.4	Very low	129 Å²	129	153.3 Å²	153.3	79%	0.791	81%	0.812	S	S	*	*			trans	-45.7	124.7	149.8	46.9	0	0	0	0	113.5
21	T	30.9	Very low	30.4	Very low	138 Å²	138	149.9 Å²	149.9	85%	0.847	80%	0.795	S	S	*	*			trans	-137.4	118.2	144.8	41.6	0	0	0	0	109.7
22	N	26	Very low	30.7	Very low	146 Å²	146	147.8 Å²	147.8	78%	0.781	79%	0.788	S	S	*	*			trans	-46.2	135.8	164.9	-69	-30.5	0	0	0	111.7
23	N	29.9	Very low	30.8	Very low	144 Å²	144	143.7 Å²	143.7	77%	0.77	78%	0.783	S	S	*	*				168.3	150	107.3	-96.2	-20.5	0	0	0	112
24	N	32.7	Very low	30.9	Very low	141 Å²	141	144.4 Å²	144.4	75%	0.754	78%	0.776	S	S	*	*			trans	90.1	85	158.4	-57.4	-17.4	0	0	0	117.7	H26	N24-H26 PolarHBondContact O-N 3.38Å
25	N	28.4	Very low	31.3	Very low	153 Å²	153	144.2 Å²	144.2	82%	0.818	77%	0.773	S	S	*	*				-3.8	110.1	117.3	-67.5	-18.8	0	0	0	114.7
26	H	32.9	Very low	31.7	Very low	161 Å²	161	142.4 Å²	142.4	75%	0.745	77%	0.767	S	S	*	*				-176.4	125.8	116.1	-104.8	-65.2	0	0	0	110.3	N24	N24-H26 PolarHBondContact O-N 3.38Å
27	N	32.9	Very low	32.1	Very low	131 Å²	131	142.1 Å²	142.1	70%	0.701	77%	0.765	S	S	*	*			trans	39.6	99.2	144.9	-62.8	-14.6	0	0	0	117.7
28	D	34.1	Very low	32.8	Very low	139 Å²	139	144.3 Å²	144.3	74%	0.743	76%	0.756	S	S	*	*			trans	-157.9	71.8	137.7	-91.2	-29.1	0	0	0	110	N30	D28-N30 PolarHBondContact O-N 3.29Å
29	N	31.6	Very low	33.9	Very low	155 Å²	155	142.9 Å²	142.9	83%	0.829	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	20	172.5	-98.3	-13	0	0	0	113.7
30	N	34	Very low	35.3	Very low	139 Å²	139	140.5 Å²	140.5	74%	0.743	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.5	-1	-171.8	-78.6	-13.4	0	0	0	116.3	D28	D28-N30 PolarHBondContact O-N 3.29Å
31	N	32.6	Very low	36.9	Very low	106 Å²	106	139.7 Å²	139.7	57%	0.567	72%	0.723	S	S	*	*	S	Bend	trans	-108.9	6.1	-178.2	-75.6	-14.7	0	0	0	115.9	N33	N31-N33 VanDerWaalsContact C-N 3.32Å
32	I	34.7	Very low	38.3	Very low	135 Å²	135	138.3 Å²	138.3	69%	0.692	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-14.8	176.6	-63.2	176.1	0	0	0	112.3
33	N	34.1	Very low	40.2	Very low	146 Å²	146	135.3 Å²	135.3	78%	0.781	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	3.1	-173.9	-70	-16.4	0	0	0	115.7	N31	N31-N33 VanDerWaalsContact C-N 3.32Å
34	Q	34.6	Very low	41.8	Very low	163 Å²	163	129.7 Å²	129.7	76%	0.762	67%	0.666	S	S	*	*	S	Bend	trans	-102.3	-8	-175.8	-114.5	-178.6	-9.2	0	0	116
35	F	36.1	Very low	43.4	Very low	182 Å²	182	125.6 Å²	125.6	80%	0.798	64%	0.644	S	S	*	*	S	Bend	trans	-92.3	-0.4	-179.7	-78.2	-73.1	0	0	0	115.5
36	N	36.7	Very low	45.2	Very low	138 Å²	138	120.8 Å²	120.8	74%	0.738	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	9.5	-172.4	-81	-13.3	0	0	0	116.2
37	N	40.9	Very low	46.8	Very low	145 Å²	145	121.9 Å²	121.9	78%	0.775	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.3	5.8	178.8	-78.9	-4.8	0	0	0	114.5	H39	N37-H39 PolarHBondContact O-N 3.18Å
38	E	40.5	Very low	48.3	Very low	122 Å²	122	118 Å²	118	57%	0.57	60%	0.596	S	S	*	*	S	Bend	trans	-67	98	157.6	-74.3	-157.5	169.2	0	0	107	I43	E38-I43 HydrophobicContact CB-CD1 3.8Å; E38-I43 HydrophobicContact CB-CG1 4.07Å; E38-I43 WeakPolarHBondContact OE2-CG1 3.32Å
39	H	54.6	Low	49.8	Very low	140 Å²	140	113.6 Å²	113.6	65%	0.648	57%	0.573	S	S	*	*			trans	-46.7	129.7	177.2	-78.2	-75.8	0	0	0	107.8	N37 F41 H42	N37-H39 PolarHBondContact O-N 3.18Å; H39-F41 HydrophobicContact CB-CB 4.36Å; H39-F41 CarbonylContact O-C 3.6Å; H39-F41 PolarHBondContact O-N 3.34Å; H39-H42 PolarHBondContact O-N 3.33Å
40	P	58.5	Low	51.5	Low	97 Å²	97	110.5 Å²	110.5	63%	0.63	56%	0.556	S	S	*	*	H	α-helix	trans	-51.5	-23.2	-178.9	14.7	-28.5	0	0	0	112.7	G44	P40-G44 PolarHBondContact O-N 2.9Å
41	F	58.4	Low	53.1	Low	113 Å²	113	110.4 Å²	110.4	50%	0.496	55%	0.551	S	S	.	*	H	α-helix	trans	-59.4	-47.9	169.8	-171.3	-107.2	0	0	0	115.1	H39 G44 I45 I596	H39-F41 HydrophobicContact CB-CB 4.36Å; H39-F41 CarbonylContact O-C 3.6Å; H39-F41 PolarHBondContact O-N 3.34Å; F41-G44 PolarHBondContact O-N 3.12Å; F41-I45 HydrophobicContact CD1-CD1 3.72Å; F41-I45 HydrophobicContact CE1-CD1 3.22Å; F41-I45 HydrophobicContact CE1-CG1 4.43Å; F41-I45 HydrophobicContact CE2-CD1 4.1Å; F41-I45 HydrophobicContact CG-CD1 4.35Å; F41-I45 HydrophobicContact CZ-CD1 3.45Å; F41-I45 VanDerWaalsContact CZ-CD1 3.45Å; F41-I45 HydrophobicContact CZ-CG1 4.44Å; F41-I45 WeakPolarHBondContact O-CG1 3.37Å; F41-I45 PolarHBondContact O-N 3.48Å; F41-I596 HydrophobicContact CD2-CG1 4.29Å; F41-I596 HydrophobicContact CE2-CD1 4.01Å; F41-I596 HydrophobicContact CE2-CG1 3.99Å
42	H	60.6	Low	54.7	Low	109 Å²	109	106 Å²	106	51%	0.505	53%	0.528	S	S	.	.	H	α-helix	trans	-68	-42.2	-177.2	-171.4	-84.6	0	0	0	111.4	H39 G44 I45 T46	H39-H42 PolarHBondContact O-N 3.33Å; H42-G44 VanDerWaalsContact C-N 3.32Å; H42-G44 PolarHBondContact O-N 3.45Å; H42-I45 PolarHBondContact O-N 3.32Å; H42-T46 WeakPolarHBondContact O-CG2 3.46Å; H42-T46 PolarHBondContact O-N 2.85Å; H42-T46 PolarHBondContact O-OG1 3.22Å
43	I	65.2	Low	56.3	Low	82 Å²	82	101.9 Å²	101.9	42%	0.421	51%	0.509	S	S	.	.	H	α-helix	trans	-62.5	-40.9	174.1	-63.6	167.7	0	0	0	110.6	E38 T46 R47	E38-I43 HydrophobicContact CB-CD1 3.8Å; E38-I43 HydrophobicContact CB-CG1 4.07Å; E38-I43 WeakPolarHBondContact OE2-CG1 3.32Å; I43-T46 PolarHBondContact O-OG1 3.16Å; I43-T46 VanDerWaalsContact O-OG1 3.09Å; I43-R47 WeakPolarHBondContact O-CB 3.45Å; I43-R47 PolarHBondContact O-N 3.1Å; I43-R47 VanDerWaalsContact O-N 3.08Å
44	G	64.6	Low	58	Low	26 Å²	26	97 Å²	97	27%	0.268	48%	0.482	S	S	.	.	H	α-helix	trans	-60.3	-45.4	175.1	0	0	0	0	0	112.4	P40 F41 H42 L48	P40-G44 PolarHBondContact O-N 2.9Å; F41-G44 PolarHBondContact O-N 3.12Å; H42-G44 VanDerWaalsContact C-N 3.32Å; H42-G44 PolarHBondContact O-N 3.45Å; G44-L48 PolarHBondContact O-N 3.41Å
45	I	65.7	Low	59.5	Low	56 Å²	56	95.5 Å²	95.5	29%	0.287	48%	0.476	S	S	.	.	H	α-helix	trans	-65.8	-47	178.7	-72.5	172.7	0	0	0	111.8	F41 H42 R47 L48 L49	F41-I45 HydrophobicContact CD1-CD1 3.72Å; F41-I45 HydrophobicContact CE1-CD1 3.22Å; F41-I45 HydrophobicContact CE1-CG1 4.43Å; F41-I45 HydrophobicContact CE2-CD1 4.1Å; F41-I45 HydrophobicContact CG-CD1 4.35Å; F41-I45 HydrophobicContact CZ-CD1 3.45Å; F41-I45 VanDerWaalsContact CZ-CD1 3.45Å; F41-I45 HydrophobicContact CZ-CG1 4.44Å; F41-I45 WeakPolarHBondContact O-CG1 3.37Å; F41-I45 PolarHBondContact O-N 3.48Å; H42-I45 PolarHBondContact O-N 3.32Å; I45-R47 VanDerWaalsContact C-N 3.3Å; I45-R47 PolarHBondContact O-N 2.87Å; I45-L48 WeakPolarHBondContact O-CB 3.13Å; I45-L48 PolarHBondContact O-N 3.31Å; I45-L49 HydrophobicContact CG2-CD1 3.78Å; I45-L49 HydrophobicContact CG2-CG 4.17Å; I45-L49 WeakPolarHBondContact O-CG 3.24Å; I45-L49 PolarHBondContact O-N 3.44Å
46	T	66	Low	61	Low	51 Å²	51	87.2 Å²	87.2	31%	0.313	44%	0.441	S	S	.	.	H	α-helix	trans	-64.1	-38.5	-179	51.8	0	0	0	0	111.6	H42 I43 L49 N50	H42-T46 WeakPolarHBondContact O-CG2 3.46Å; H42-T46 PolarHBondContact O-N 2.85Å; H42-T46 PolarHBondContact O-OG1 3.22Å; I43-T46 PolarHBondContact O-OG1 3.16Å; I43-T46 VanDerWaalsContact O-OG1 3.09Å; T46-L49 PolarHBondContact O-N 3.49Å; T46-N50 WeakPolarHBondContact O-CB 3.35Å; T46-N50 VanDerWaalsContact O-CG 3.24Å; T46-N50 PolarHBondContact O-N 3.44Å; T46-N50 PolarHBondContact O-ND2 3.05Å
47	R	66.5	Low	62.7	Low	185 Å²	185	82.6 Å²	82.6	70%	0.698	42%	0.417	S	S	*	.	H	α-helix	trans	-61.8	-43.4	173.4	-169.7	175.5	-177.3	164.3	-0.8	111.6	I43 I45 H51	I43-R47 WeakPolarHBondContact O-CB 3.45Å; I43-R47 PolarHBondContact O-N 3.1Å; I43-R47 VanDerWaalsContact O-N 3.08Å; I45-R47 VanDerWaalsContact C-N 3.3Å; I45-R47 PolarHBondContact O-N 2.87Å; R47-H51 PolarHBondContact O-CD2 3.24Å; R47-H51 PolarHBondContact O-N 3.14Å; R47-H51 VanDerWaalsContact O-N 3.1Å
48	L	64.5	Low	64.2	Low	49 Å²	49	77.2 Å²	77.2	26%	0.257	39%	0.39	S	S	.	.	H	α-helix	trans	-61.4	-51	175	-170	95.7	0	0	0	111.1	G44 I45 N50 H51 S52 L592	G44-L48 PolarHBondContact O-N 3.41Å; I45-L48 WeakPolarHBondContact O-CB 3.13Å; I45-L48 PolarHBondContact O-N 3.31Å; L48-N50 VanDerWaalsContact C-N 3.29Å; L48-N50 PolarHBondContact O-N 3.41Å; L48-H51 CarbonylContact O-C 3.56Å; L48-H51 PolarHBondContact O-N 2.91Å; L48-S52 VanDerWaalsContact O-CA 3.27Å; L48-S52 WeakPolarHBondContact O-CA 3.46Å; L48-S52 WeakPolarHBondContact O-CB 3.23Å; L48-S52 PolarHBondContact O-N 3.35Å; L48-L592 HydrophobicContact CD1-CB 4.37Å; L48-L592 HydrophobicContact CD1-CD1 4.45Å; L48-L592 HydrophobicContact CD1-CD2 4.1Å; L48-L592 HydrophobicContact CD2-CD2 3.77Å; L48-L592 HydrophobicContact CG-CD2 4.47Å
49	L	66.4	Low	65.8	Low	47 Å²	47	75.5 Å²	75.5	25%	0.246	38%	0.382	C	S	.	.	H	α-helix	trans	-59.9	-38.8	-178.6	-67.5	171.9	0	0	0	112.6	I45 T46 S52 L57	I45-L49 HydrophobicContact CG2-CD1 3.78Å; I45-L49 HydrophobicContact CG2-CG 4.17Å; I45-L49 WeakPolarHBondContact O-CG 3.24Å; I45-L49 PolarHBondContact O-N 3.44Å; T46-L49 PolarHBondContact O-N 3.49Å; L49-S52 PolarHBondContact O-OG 2.88Å; L49-S52 VanDerWaalsContact O-OG 3.11Å; L49-L57 HydrophobicContact CD2-CD1 3.96Å; L49-L57 HydrophobicContact CD2-CD2 3.29Å; L49-L57 HydrophobicContact CD2-CG 3.48Å; L49-L57 VanDerWaalsContact CD2-CG 3.48Å
50	N	67.4	Low	66.9	Low	89 Å²	89	69.8 Å²	69.8	48%	0.476	36%	0.356	S	S	.	.	H	α-helix	trans	-72.1	-35.2	-179.6	-72.5	-14.8	0	0	0	112.8	T46 L48 S61	T46-N50 WeakPolarHBondContact O-CB 3.35Å; T46-N50 VanDerWaalsContact O-CG 3.24Å; T46-N50 PolarHBondContact O-N 3.44Å; T46-N50 PolarHBondContact O-ND2 3.05Å; L48-N50 VanDerWaalsContact C-N 3.29Å; L48-N50 PolarHBondContact O-N 3.41Å; N50-S61 PolarHBondContact OD1-OG 3.39Å
51	H	66.5	Low	67.6	Low	138 Å²	138	68 Å²	68	64%	0.639	35%	0.346	S	S	*	.	H	α-helix	trans	-98.8	-5.4	179.3	-73.6	-72.1	0	0	0	114.3	R47 L48 T53	R47-H51 PolarHBondContact O-CD2 3.24Å; R47-H51 PolarHBondContact O-N 3.14Å; R47-H51 VanDerWaalsContact O-N 3.1Å; L48-H51 CarbonylContact O-C 3.56Å; L48-H51 PolarHBondContact O-N 2.91Å; H51-T53 PolarHBondContact O-N 2.94Å
52	S	65.6	Low	68.4	Low	13 Å²	13	66.7 Å²	66.7	9%	0.091	35%	0.347	C	S	.	.			trans	-60.2	134.5	-173	62.1	0	0	0	0	110.9	L48 L49 I54	L48-S52 VanDerWaalsContact O-CA 3.27Å; L48-S52 WeakPolarHBondContact O-CA 3.46Å; L48-S52 WeakPolarHBondContact O-CB 3.23Å; L48-S52 PolarHBondContact O-N 3.35Å; L49-S52 PolarHBondContact O-OG 2.88Å; L49-S52 VanDerWaalsContact O-OG 3.11Å; S52-I54 PolarHBondContact O-N 3.14Å
53	T	68	Low	69.3	Low	48 Å²	48	62.8 Å²	62.8	29%	0.294	33%	0.333	S	S	.	.			trans	-73.4	-5.8	172.3	74.6	0	0	0	0	112.5	H51 H55 G580	H51-T53 PolarHBondContact O-N 2.94Å; T53-H55 PolarHBondContact O-N 3.25Å; T53-G580 CarbonylContact C-O 3.56Å; T53-G580 CarbonylContact O-C 3.52Å; T53-G580 PolarHBondContact OG1-O 2.88Å
54	I	70.4	Confident	69.9	Low	43 Å²	43	65.2 Å²	65.2	22%	0.221	35%	0.352	C	S	.	.			trans	-65.5	107.6	-178.9	-63.4	172.8	0	0	0	109.3	S52 G56 L57 I579 I581	S52-I54 PolarHBondContact O-N 3.14Å; I54-G56 PolarHBondContact O-N 3.4Å; I54-L57 HydrophobicContact CB-CB 4.25Å; I54-L57 HydrophobicContact CD1-CD2 4.45Å; I54-L57 HydrophobicContact CG2-CB 3.91Å; I54-L57 PolarHBondContact O-N 3.32Å; I54-I579 CarbonylContact C-O 3.59Å; I54-I579 VanDerWaalsContact CA-O 3.29Å; I54-I579 WeakPolarHBondContact CA-O 3.46Å; I54-I579 HydrophobicContact CG1-CG2 4.35Å; I54-I579 HydrophobicContact CG2-CG2 3.81Å; I54-I581 HydrophobicContact CD1-CG1 4.48Å; I54-I581 HydrophobicContact CG1-CD1 4.46Å; I54-I581 HydrophobicContact CG1-CG1 3.87Å
55	H	66.6	Low	70.9	Confident	133 Å²	133	68.9 Å²	68.9	62%	0.616	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	127.1	178	-73.4	-56.1	0	0	0	109.6	T53 I579 G580	T53-H55 PolarHBondContact O-N 3.25Å; H55-I579 PolarHBondContact N-O 3.06Å; H55-G580 WeakPolarHBondContact CD2-CA 3.49Å
56	G	68.1	Low	71.7	Confident	8 Å²	8	73.4 Å²	73.4	8%	0.082	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	102.2	-42.4	-177	0	0	0	0	0	113.9	I54 H59 I60	I54-G56 PolarHBondContact O-N 3.4Å; G56-H59 PolarHBondContact O-N 3.49Å; G56-I60 WeakPolarHBondContact O-CD1 3.42Å; G56-I60 WeakPolarHBondContact O-CG1 3.08Å; G56-I60 PolarHBondContact O-N 3.3Å
57	L	71.5	Confident	72.5	Confident	41 Å²	41	77 Å²	77	22%	0.215	40%	0.401	C	S	.	.	H	α-helix	trans	-70.1	-42.2	-174.8	-166.5	61.1	0	0	0	112.6	L49 I54 H59 I60 S61	L49-L57 HydrophobicContact CD2-CD1 3.96Å; L49-L57 HydrophobicContact CD2-CD2 3.29Å; L49-L57 HydrophobicContact CD2-CG 3.48Å; L49-L57 VanDerWaalsContact CD2-CG 3.48Å; I54-L57 HydrophobicContact CB-CB 4.25Å; I54-L57 HydrophobicContact CD1-CD2 4.45Å; I54-L57 HydrophobicContact CG2-CB 3.91Å; I54-L57 PolarHBondContact O-N 3.32Å; L57-H59 VanDerWaalsContact C-N 3.32Å; L57-H59 PolarHBondContact O-N 3.45Å; L57-I60 PolarHBondContact O-N 3.38Å; L57-S61 PolarHBondContact O-N 3.38Å
58	S	71.9	Confident	73.3	Confident	32 Å²	32	70.5 Å²	70.5	22%	0.224	38%	0.383	C	S	.	.	H	α-helix	trans	-59.5	-41.5	170.8	179.4	0	0	0	0	111.8	S61 T62	S58-S61 PolarHBondContact O-N 3.39Å; S58-T62 WeakPolarHBondContact O-CB 2.99Å; S58-T62 WeakPolarHBondContact O-CG2 3.26Å; S58-T62 PolarHBondContact O-N 2.8Å; S58-T62 PolarHBondContact O-OG1 3.43Å
59	H	75	Confident	74.3	Confident	86 Å²	86	74.9 Å²	74.9	40%	0.398	40%	0.396	S	S	.	.	H	α-helix	trans	-69	-34.4	176.6	-70.5	-56.9	0	0	0	113.5	G56 L57 T62 A63 W72	G56-H59 PolarHBondContact O-N 3.49Å; L57-H59 VanDerWaalsContact C-N 3.32Å; L57-H59 PolarHBondContact O-N 3.45Å; H59-T62 WeakPolarHBondContact CA-OG1 3.32Å; H59-T62 PolarHBondContact O-OG1 3.13Å; H59-A63 WeakPolarHBondContact O-CB 3.44Å; H59-A63 PolarHBondContact O-N 2.98Å; H59-W72 HydrophobicContact CB-CD2 3.84Å; H59-W72 HydrophobicContact CB-CE3 4.22Å; H59-W72 HydrophobicContact CB-CG 3.99Å
60	I	76.9	Confident	75.3	Confident	20 Å²	20	77.5 Å²	77.5	10%	0.103	41%	0.409	C	S	.	.	H	α-helix	trans	-64.6	-40.9	173	-68.8	161.3	0	0	0	110.7	G56 L57 R69 W72 F73 W76	G56-I60 WeakPolarHBondContact O-CD1 3.42Å; G56-I60 WeakPolarHBondContact O-CG1 3.08Å; G56-I60 PolarHBondContact O-N 3.3Å; L57-I60 PolarHBondContact O-N 3.38Å; I60-R69 HydrophobicContact CG2-CG 4.07Å; I60-W72 HydrophobicContact CG1-CB 3.68Å; I60-F73 HydrophobicContact CD1-CB 4.3Å; I60-F73 HydrophobicContact CD1-CD2 4.4Å; I60-W76 HydrophobicContact CD1-CB 4.08Å; I60-W76 HydrophobicContact CD1-CG 4.27Å
61	S	74	Confident	76.2	Confident	59 Å²	59	77.4 Å²	77.4	41%	0.413	41%	0.408	S	S	.	.	H	α-helix	trans	-68.3	-41.6	178.5	-173.8	0	0	0	0	112.4	N50 L57 S58	N50-S61 PolarHBondContact OD1-OG 3.39Å; L57-S61 PolarHBondContact O-N 3.38Å; S58-S61 PolarHBondContact O-N 3.39Å
62	T	75.4	Confident	77.1	Confident	86 Å²	86	75.4 Å²	75.4	53%	0.528	40%	0.395	S	S	.	.	H	α-helix	trans	-83.1	-12.6	-177.7	54.9	0	0	0	0	114.7	S58 H59 T64	S58-T62 WeakPolarHBondContact O-CB 2.99Å; S58-T62 WeakPolarHBondContact O-CG2 3.26Å; S58-T62 PolarHBondContact O-N 2.8Å; S58-T62 PolarHBondContact O-OG1 3.43Å; H59-T62 WeakPolarHBondContact CA-OG1 3.32Å; H59-T62 PolarHBondContact O-OG1 3.13Å; T62-T64 PolarHBondContact O-N 3.16Å
63	A	79	Confident	78.1	Confident	26 Å²	26	79.4 Å²	79.4	22%	0.215	41%	0.411	C	S	.	.			trans	-69.7	122.3	-176.7	0	0	0	0	0	112.6	H59 R69	H59-A63 WeakPolarHBondContact O-CB 3.44Å; H59-A63 PolarHBondContact O-N 2.98Å; A63-R69 HydrophobicContact CB-CB 4.24Å
64	T	78.9	Confident	79.1	Confident	133 Å²	133	80.3 Å²	80.3	82%	0.816	42%	0.416	S	S	*	.			trans	-77.8	-29.9	-179.1	51.5	0	0	0	0	114.2	T62	T62-T64 PolarHBondContact O-N 3.16Å
65	N	84.5	Confident	80	Confident	103 Å²	103	82.4 Å²	82.4	55%	0.551	43%	0.427	S	S	*	.	S	Bend	trans	-104.2	143.9	-174.9	-70	-15.1	0	0	0	112.3	I67 T68 R69	N65-I67 VanDerWaalsContact C-N 3.33Å; N65-I67 PolarHBondContact O-N 3.42Å; N65-T68 HydrophobicContact CB-CG2 4.34Å; N65-T68 PolarHBondContact O-N 3.46Å; N65-T68 PolarHBondContact O-OG1 3.47Å; N65-R69 WeakPolarHBondContact O-CB 3.28Å; N65-R69 PolarHBondContact O-N 3.08Å
66	H	82	Confident	80.9	Confident	151 Å²	151	79.1 Å²	79.1	70%	0.699	41%	0.41	S	S	*	.	H	α-helix	trans	-63.8	-35.3	-179.8	-166.2	-79.9	0	0	0	113.2	L70	H66-L70 PolarHBondContact O-N 3.05Å
67	I	84.5	Confident	81.9	Confident	126 Å²	126	83.7 Å²	83.7	65%	0.646	43%	0.428	S	S	*	.	H	α-helix	trans	-68.4	-45.1	178.2	-62	171.9	0	0	0	110.9	N65 R69 L70 I71	N65-I67 VanDerWaalsContact C-N 3.33Å; N65-I67 PolarHBondContact O-N 3.42Å; I67-R69 VanDerWaalsContact C-N 3.32Å; I67-R69 PolarHBondContact O-N 2.82Å; I67-L70 WeakPolarHBondContact O-CB 3.2Å; I67-L70 PolarHBondContact O-N 3.44Å; I67-I71 HydrophobicContact CG2-CD1 4.16Å; I67-I71 WeakPolarHBondContact O-CG1 3.47Å; I67-I71 PolarHBondContact O-N 2.82Å
68	T	82	Confident	82.8	Confident	50 Å²	50	86.7 Å²	86.7	31%	0.307	44%	0.443	S	S	.	.	H	α-helix	trans	-66.1	-38.4	178.8	54.7	0	0	0	0	110.9	N65 L70 I71 W72	N65-T68 HydrophobicContact CB-CG2 4.34Å; N65-T68 PolarHBondContact O-N 3.46Å; N65-T68 PolarHBondContact O-OG1 3.47Å; T68-L70 VanDerWaalsContact C-N 3.31Å; T68-L70 PolarHBondContact O-N 3.05Å; T68-I71 PolarHBondContact O-N 3.43Å; T68-W72 PolarHBondContact O-N 2.95Å
69	R	85.9	Confident	83.6	Confident	140 Å²	140	86.9 Å²	86.9	53%	0.528	45%	0.445	S	S	.	.	H	α-helix	trans	-58.4	-41.7	172.1	-170.8	178.9	174.5	-175.7	-1.1	112.3	I60 A63 N65 I67 W72 F73	I60-R69 HydrophobicContact CG2-CG 4.07Å; A63-R69 HydrophobicContact CB-CB 4.24Å; N65-R69 WeakPolarHBondContact O-CB 3.28Å; N65-R69 PolarHBondContact O-N 3.08Å; I67-R69 VanDerWaalsContact C-N 3.32Å; I67-R69 PolarHBondContact O-N 2.82Å; R69-W72 PolarHBondContact O-N 3.2Å; R69-F73 VanDerWaalsContact O-CB 3.29Å; R69-F73 WeakPolarHBondContact O-CB 2.9Å; R69-F73 PolarHBondContact O-N 3.21Å
70	L	86.4	Confident	84.3	Confident	102 Å²	102	84.9 Å²	84.9	53%	0.534	44%	0.436	S	S	.	.	H	α-helix	trans	-64.2	-44	176.8	-169.4	77.4	0	0	0	111.7	H66 I67 T68 F73 T74	H66-L70 PolarHBondContact O-N 3.05Å; I67-L70 WeakPolarHBondContact O-CB 3.2Å; I67-L70 PolarHBondContact O-N 3.44Å; T68-L70 VanDerWaalsContact C-N 3.31Å; T68-L70 PolarHBondContact O-N 3.05Å; L70-F73 PolarHBondContact O-N 2.76Å; L70-T74 WeakPolarHBondContact O-CG2 3.32Å; L70-T74 PolarHBondContact O-N 3.31Å; L70-T74 PolarHBondContact O-OG1 2.89Å
71	I	87.5	Confident	85.1	Confident	87 Å²	87	87.1 Å²	87.1	45%	0.446	45%	0.448	S	S	.	.	H	α-helix	trans	-61.3	-45.7	177.7	-66.7	166.1	0	0	0	111	I67 T68 F73 T74 L75	I67-I71 HydrophobicContact CG2-CD1 4.16Å; I67-I71 WeakPolarHBondContact O-CG1 3.47Å; I67-I71 PolarHBondContact O-N 2.82Å; T68-I71 PolarHBondContact O-N 3.43Å; I71-F73 VanDerWaalsContact C-N 3.32Å; I71-F73 PolarHBondContact O-N 3.5Å; I71-T74 PolarHBondContact O-N 3.31Å; I71-T74 PolarHBondContact O-OG1 2.96Å; I71-L75 HydrophobicContact CG2-CD1 4.22Å; I71-L75 WeakPolarHBondContact O-CG 3.41Å; I71-L75 PolarHBondContact O-N 2.84Å
72	W	86.1	Confident	86	Confident	96 Å²	96	84.8 Å²	84.8	36%	0.364	43%	0.433	S	S	.	.	H	α-helix	trans	-66.9	-36.2	177.8	-70.6	120.7	0	0	0	112.3	H59 I60 T68 R69 L75 W76	H59-W72 HydrophobicContact CB-CD2 3.84Å; H59-W72 HydrophobicContact CB-CE3 4.22Å; H59-W72 HydrophobicContact CB-CG 3.99Å; I60-W72 HydrophobicContact CG1-CB 3.68Å; T68-W72 PolarHBondContact O-N 2.95Å; R69-W72 PolarHBondContact O-N 3.2Å; W72-L75 HydrophobicContact CE3-CD1 4.01Å; W72-L75 HydrophobicContact CZ3-CD1 4.1Å; W72-W76 WeakPolarHBondContact O-CB 3.18Å; W72-W76 PolarHBondContact O-N 3.27Å
73	F	86.3	Confident	86.8	Confident	98 Å²	98	81.4 Å²	81.4	43%	0.43	41%	0.411	S	S	.	.	H	α-helix	trans	-64.5	-43.7	174.7	-179.4	-97.3	0	0	0	112.4	I60 R69 L70 I71 W76 F77	I60-F73 HydrophobicContact CD1-CB 4.3Å; I60-F73 HydrophobicContact CD1-CD2 4.4Å; R69-F73 VanDerWaalsContact O-CB 3.29Å; R69-F73 WeakPolarHBondContact O-CB 2.9Å; R69-F73 PolarHBondContact O-N 3.21Å; L70-F73 PolarHBondContact O-N 2.76Å; I71-F73 VanDerWaalsContact C-N 3.32Å; I71-F73 PolarHBondContact O-N 3.5Å; F73-W76 HydrophobicContact CD2-CE3 4.15Å; F73-W76 HydrophobicContact CD2-CZ3 4.39Å; F73-W76 HydrophobicContact CE2-CE3 4.05Å; F73-W76 AromaticContact CE2-CZ3 3.86Å; F73-W76 HydrophobicContact CE2-CZ3 3.86Å; F73-W76 PolarHBondContact O-N 3.28Å; F73-F77 VanDerWaalsContact O-CB 3.28Å; F73-F77 WeakPolarHBondContact O-CB 3.24Å; F73-F77 PolarHBondContact O-N 2.95Å
74	T	89.1	Confident	87.6	Confident	66 Å²	66	84.8 Å²	84.8	41%	0.405	43%	0.425	S	S	.	.	H	α-helix	trans	-66.4	-40.9	178	54.6	0	0	0	0	111.8	L70 I71 F77 L78	L70-T74 WeakPolarHBondContact O-CG2 3.32Å; L70-T74 PolarHBondContact O-N 3.31Å; L70-T74 PolarHBondContact O-OG1 2.89Å; I71-T74 PolarHBondContact O-N 3.31Å; I71-T74 PolarHBondContact O-OG1 2.96Å; T74-F77 PolarHBondContact O-N 2.96Å; T74-L78 WeakPolarHBondContact O-CB 3.46Å; T74-L78 VanDerWaalsContact O-CG 3.24Å; T74-L78 WeakPolarHBondContact O-CG 2.9Å; T74-L78 PolarHBondContact O-N 2.81Å
75	L	87.8	Confident	88.3	Confident	87 Å²	87	83.3 Å²	83.3	46%	0.455	41%	0.411	S	S	.	.	H	α-helix	trans	-61.3	-47.1	174.5	-72.4	173.5	0	0	0	111.8	I71 W72 F77 L78 S79	I71-L75 HydrophobicContact CG2-CD1 4.22Å; I71-L75 WeakPolarHBondContact O-CG 3.41Å; I71-L75 PolarHBondContact O-N 2.84Å; W72-L75 HydrophobicContact CE3-CD1 4.01Å; W72-L75 HydrophobicContact CZ3-CD1 4.1Å; L75-F77 PolarHBondContact O-N 3.24Å; L75-L78 PolarHBondContact O-N 2.98Å; L75-S79 WeakPolarHBondContact O-CB 3.5Å; L75-S79 PolarHBondContact O-N 2.84Å; L75-S79 PolarHBondContact O-OG 2.77Å
76	W	86	Confident	88.8	Confident	65 Å²	65	81.2 Å²	81.2	25%	0.246	40%	0.4	C	S	.	.	H	α-helix	trans	-60.8	-43.5	176.4	173.4	79.6	0	0	0	112.3	I60 W72 F73 S79 I80	I60-W76 HydrophobicContact CD1-CB 4.08Å; I60-W76 HydrophobicContact CD1-CG 4.27Å; W72-W76 WeakPolarHBondContact O-CB 3.18Å; W72-W76 PolarHBondContact O-N 3.27Å; F73-W76 HydrophobicContact CD2-CE3 4.15Å; F73-W76 HydrophobicContact CD2-CZ3 4.39Å; F73-W76 HydrophobicContact CE2-CE3 4.05Å; F73-W76 AromaticContact CE2-CZ3 3.86Å; F73-W76 HydrophobicContact CE2-CZ3 3.86Å; F73-W76 PolarHBondContact O-N 3.28Å; W76-S79 WeakPolarHBondContact O-CB 3.17Å; W76-S79 PolarHBondContact O-N 3.16Å; W76-I80 HydrophobicContact CD2-CD1 3.81Å; W76-I80 HydrophobicContact CE3-CD1 4.15Å; W76-I80 HydrophobicContact CH2-CD1 3.55Å; W76-I80 HydrophobicContact CZ2-CD1 3.15Å; W76-I80 HydrophobicContact CZ3-CD1 4.03Å; W76-I80 PolarHBondContact O-N 2.89Å
77	F	89.1	Confident	89.4	Confident	104 Å²	104	75.6 Å²	75.6	46%	0.456	38%	0.375	S	S	.	.	H	α-helix	trans	-65.2	-43	178.3	-174.1	-106.3	0	0	0	112.1	F73 T74 L75 S79 I80 I81	F73-F77 VanDerWaalsContact O-CB 3.28Å; F73-F77 WeakPolarHBondContact O-CB 3.24Å; F73-F77 PolarHBondContact O-N 2.95Å; T74-F77 PolarHBondContact O-N 2.96Å; L75-F77 PolarHBondContact O-N 3.24Å; F77-S79 VanDerWaalsContact C-N 3.31Å; F77-S79 PolarHBondContact O-N 3.3Å; F77-I80 PolarHBondContact O-N 3.36Å; F77-I81 HydrophobicContact CD1-CD1 3.66Å; F77-I81 HydrophobicContact CE1-CD1 3.25Å; F77-I81 HydrophobicContact CE1-CG1 4.27Å; F77-I81 HydrophobicContact CG-CD1 4.47Å; F77-I81 HydrophobicContact CZ-CD1 3.74Å; F77-I81 HydrophobicContact CZ-CG1 4.42Å; F77-I81 WeakPolarHBondContact O-CG1 3.44Å; F77-I81 PolarHBondContact O-N 3.29Å
78	L	91	Very high	90	Very high	104 Å²	104	72.9 Å²	72.9	55%	0.545	37%	0.367	S	S	.	.	H	α-helix	trans	-62.4	-39	173.6	-72.8	172.8	0	0	0	111.7	T74 L75 I81 G82	T74-L78 WeakPolarHBondContact O-CB 3.46Å; T74-L78 VanDerWaalsContact O-CG 3.24Å; T74-L78 WeakPolarHBondContact O-CG 2.9Å; T74-L78 PolarHBondContact O-N 2.81Å; L75-L78 PolarHBondContact O-N 2.98Å; L78-I81 PolarHBondContact O-N 2.96Å; L78-G82 PolarHBondContact O-N 3.43Å
79	S	88.8	Confident	90.6	Very high	36 Å²	36	77.8 Å²	77.8	25%	0.252	38%	0.381	S	S	.	.	H	α-helix	trans	-61.9	-42.7	174.7	-80	0	0	0	0	112.9	L75 W76 F77 G82 F83 W578	L75-S79 WeakPolarHBondContact O-CB 3.5Å; L75-S79 PolarHBondContact O-N 2.84Å; L75-S79 PolarHBondContact O-OG 2.77Å; W76-S79 WeakPolarHBondContact O-CB 3.17Å; W76-S79 PolarHBondContact O-N 3.16Å; F77-S79 VanDerWaalsContact C-N 3.31Å; F77-S79 PolarHBondContact O-N 3.3Å; S79-G82 PolarHBondContact O-N 2.78Å; S79-F83 WeakPolarHBondContact O-CB 3.41Å; S79-F83 PolarHBondContact O-N 2.93Å; S79-W578 WeakPolarHBondContact CB-O 3.48Å; S79-W578 PolarHBondContact OG-O 3.49Å
80	I	89.9	Confident	91	Very high	43 Å²	43	72 Å²	72	22%	0.221	36%	0.361	C	S	.	.	H	α-helix	trans	-64.4	-44.1	175.9	-73.8	174.5	0	0	0	111.1	W76 F77 G82 F83 L84	W76-I80 HydrophobicContact CD2-CD1 3.81Å; W76-I80 HydrophobicContact CE3-CD1 4.15Å; W76-I80 HydrophobicContact CH2-CD1 3.55Å; W76-I80 HydrophobicContact CZ2-CD1 3.15Å; W76-I80 HydrophobicContact CZ3-CD1 4.03Å; W76-I80 PolarHBondContact O-N 2.89Å; F77-I80 PolarHBondContact O-N 3.36Å; I80-G82 PolarHBondContact O-N 2.86Å; I80-F83 PolarHBondContact O-N 3.1Å; I80-L84 HydrophobicContact CG2-CD1 3.93Å; I80-L84 HydrophobicContact CG2-CG 4.35Å; I80-L84 WeakPolarHBondContact O-CG 3.28Å; I80-L84 PolarHBondContact O-N 3.23Å
81	I	93	Very high	91.3	Very high	67 Å²	67	70.7 Å²	70.7	34%	0.344	35%	0.353	S	S	.	.	H	α-helix	trans	-60.3	-47.4	176.5	-70.5	171.8	0	0	0	110.3	F77 L78 F83 L84 I85	F77-I81 HydrophobicContact CD1-CD1 3.66Å; F77-I81 HydrophobicContact CE1-CD1 3.25Å; F77-I81 HydrophobicContact CE1-CG1 4.27Å; F77-I81 HydrophobicContact CG-CD1 4.47Å; F77-I81 HydrophobicContact CZ-CD1 3.74Å; F77-I81 HydrophobicContact CZ-CG1 4.42Å; F77-I81 WeakPolarHBondContact O-CG1 3.44Å; F77-I81 PolarHBondContact O-N 3.29Å; L78-I81 PolarHBondContact O-N 2.96Å; I81-F83 VanDerWaalsContact C-N 3.32Å; I81-F83 PolarHBondContact O-N 3.4Å; I81-L84 PolarHBondContact O-N 2.77Å; I81-I85 HydrophobicContact CG2-CD1 3.73Å; I81-I85 HydrophobicContact CG2-CG1 4.43Å; I81-I85 WeakPolarHBondContact O-CG1 3.18Å; I81-I85 PolarHBondContact O-N 2.88Å
82	G	92.9	Very high	91.5	Very high	11 Å²	11	73 Å²	73	11%	0.113	36%	0.362	C	S	.	.	H	α-helix	trans	-60.2	-40.3	177.5	0	0	0	0	0	113	L78 S79 I80 N86	L78-G82 PolarHBondContact O-N 3.43Å; S79-G82 PolarHBondContact O-N 2.78Å; I80-G82 PolarHBondContact O-N 2.86Å; G82-N86 PolarHBondContact O-N 2.98Å; G82-N86 VanDerWaalsContact O-N 3.09Å; G82-N86 PolarHBondContact O-ND2 2.96Å
83	F	92.9	Very high	91.7	Very high	15 Å²	15	71 Å²	71	7%	0.066	36%	0.357	C	S	.	.	H	α-helix	trans	-61.7	-50.6	173.1	172.5	-105	0	0	0	112.1	S79 I80 I81 I85 N86 L87 N574 M575 W578 I579	S79-F83 WeakPolarHBondContact O-CB 3.41Å; S79-F83 PolarHBondContact O-N 2.93Å; I80-F83 PolarHBondContact O-N 3.1Å; I81-F83 VanDerWaalsContact C-N 3.32Å; I81-F83 PolarHBondContact O-N 3.4Å; F83-I85 VanDerWaalsContact C-N 3.31Å; F83-I85 PolarHBondContact O-N 3.03Å; F83-N86 PolarHBondContact O-N 3.19Å; F83-L87 HydrophobicContact CE1-CD2 3.87Å; F83-L87 HydrophobicContact CZ-CB 4.43Å; F83-L87 HydrophobicContact CZ-CD2 3.93Å; F83-L87 VanDerWaalsContact O-CB 3.25Å; F83-L87 WeakPolarHBondContact O-CB 3.43Å; F83-L87 PolarHBondContact O-N 3.26Å; F83-N574 HydrophobicContact CD2-CB 4.16Å; F83-N574 HydrophobicContact CE2-CB 4.18Å; F83-M575 HydrophobicContact CE2-CB 4.33Å; F83-M575 HydrophobicContact CE2-CG 3.52Å; F83-M575 HydrophobicContact CZ-CE 3.95Å; F83-M575 HydrophobicContact CZ-CG 3.64Å; F83-W578 HydrophobicContact CB-CB 3.72Å; F83-W578 HydrophobicContact CB-CG 3.91Å; F83-W578 HydrophobicContact CD2-CB 4.43Å; F83-W578 HydrophobicContact CG-CB 4.5Å; F83-I579 HydrophobicContact CB-CD1 4.2Å; F83-I579 HydrophobicContact CB-CG1 4.29Å; F83-I579 HydrophobicContact CD1-CD1 3.67Å; F83-I579 HydrophobicContact CD2-CD1 4.23Å; F83-I579 HydrophobicContact CE1-CD1 4.06Å; F83-I579 HydrophobicContact CG-CD1 3.75Å; F83-I579 HydrophobicContact CG-CG1 4.25Å
84	L	94.4	Very high	91.9	Very high	97 Å²	97	67.1 Å²	67.1	51%	0.508	34%	0.339	S	S	.	.	H	α-helix	trans	-62.5	-38.5	-177.6	-70.9	173.7	0	0	0	112	I80 I81 S88	I80-L84 HydrophobicContact CG2-CD1 3.93Å; I80-L84 HydrophobicContact CG2-CG 4.35Å; I80-L84 WeakPolarHBondContact O-CG 3.28Å; I80-L84 PolarHBondContact O-N 3.23Å; I81-L84 PolarHBondContact O-N 2.77Å; L84-S88 WeakPolarHBondContact O-CB 3.27Å; L84-S88 PolarHBondContact O-N 3Å
85	I	95	Very high	91.8	Very high	102 Å²	102	69.1 Å²	69.1	52%	0.523	35%	0.347	S	S	.	.	H	α-helix	trans	-63.7	-50.7	175	-67.6	169.1	0	0	0	110.4	I81 F83 L87 S88 Y89	I81-I85 HydrophobicContact CG2-CD1 3.73Å; I81-I85 HydrophobicContact CG2-CG1 4.43Å; I81-I85 WeakPolarHBondContact O-CG1 3.18Å; I81-I85 PolarHBondContact O-N 2.88Å; F83-I85 VanDerWaalsContact C-N 3.31Å; F83-I85 PolarHBondContact O-N 3.03Å; I85-L87 VanDerWaalsContact C-N 3.32Å; I85-L87 PolarHBondContact O-N 3.22Å; I85-S88 PolarHBondContact O-N 2.93Å; I85-S88 PolarHBondContact O-OG 3.4Å; I85-Y89 PolarHBondContact O-N 3.01Å; I85-Y89 VanDerWaalsContact O-N 3.1Å
86	N	94.9	Very high	91.8	Very high	58 Å²	58	68.6 Å²	68.6	31%	0.31	35%	0.351	S	S	.	.	H	α-helix	trans	-63.5	-38.6	178.8	-77.7	-50.3	0	0	0	112.6	G82 F83 S88 Y89 I90 W578	G82-N86 PolarHBondContact O-N 2.98Å; G82-N86 VanDerWaalsContact O-N 3.09Å; G82-N86 PolarHBondContact O-ND2 2.96Å; F83-N86 PolarHBondContact O-N 3.19Å; N86-S88 VanDerWaalsContact C-N 3.32Å; N86-S88 PolarHBondContact O-N 3.25Å; N86-Y89 PolarHBondContact O-N 3Å; N86-I90 WeakPolarHBondContact O-CG1 2.93Å; N86-I90 PolarHBondContact O-N 2.85Å; N86-W578 VanDerWaalsContact ND2-CZ2 3.32Å; N86-W578 WeakPolarHBondContact ND2-CZ2 3.5Å; N86-W578 PolarHBondContact ND2-NE1 3.06Å
87	L	94.8	Very high	91.8	Very high	34 Å²	34	67.4 Å²	67.4	18%	0.178	35%	0.348	C	S	.	.	H	α-helix	trans	-61.4	-42.9	175.1	-178.2	64.5	0	0	0	110.7	F83 I85 Y89 I90 I91 I571	F83-L87 HydrophobicContact CE1-CD2 3.87Å; F83-L87 HydrophobicContact CZ-CB 4.43Å; F83-L87 HydrophobicContact CZ-CD2 3.93Å; F83-L87 VanDerWaalsContact O-CB 3.25Å; F83-L87 WeakPolarHBondContact O-CB 3.43Å; F83-L87 PolarHBondContact O-N 3.26Å; I85-L87 VanDerWaalsContact C-N 3.32Å; I85-L87 PolarHBondContact O-N 3.22Å; L87-Y89 VanDerWaalsContact C-N 3.35Å; L87-Y89 PolarHBondContact O-N 3.43Å; L87-I90 PolarHBondContact O-N 2.79Å; L87-I91 HydrophobicContact CD1-CD1 3.95Å; L87-I91 HydrophobicContact CD1-CG1 4.23Å; L87-I91 HydrophobicContact CD2-CD1 4.42Å; L87-I91 HydrophobicContact CG-CD1 3.77Å; L87-I91 HydrophobicContact CG-CG1 4.42Å; L87-I91 WeakPolarHBondContact O-CB 3.31Å; L87-I91 VanDerWaalsContact O-CG1 3.26Å; L87-I91 WeakPolarHBondContact O-CG1 3.3Å; L87-I91 PolarHBondContact O-N 2.97Å; L87-I571 HydrophobicContact CD1-CD1 4.28Å; L87-I571 HydrophobicContact CD1-CG1 3.89Å
88	S	95.6	Very high	91.6	Very high	69 Å²	69	63.4 Å²	63.4	48%	0.483	33%	0.332	S	S	.	.	H	α-helix	trans	-61.6	-42.3	177.6	72.9	0	0	0	0	112.2	L84 I85 N86 I91 E92	L84-S88 WeakPolarHBondContact O-CB 3.27Å; L84-S88 PolarHBondContact O-N 3Å; I85-S88 PolarHBondContact O-N 2.93Å; I85-S88 PolarHBondContact O-OG 3.4Å; N86-S88 VanDerWaalsContact C-N 3.32Å; N86-S88 PolarHBondContact O-N 3.25Å; S88-I91 PolarHBondContact O-N 2.91Å; S88-E92 WeakPolarHBondContact O-CB 3.19Å; S88-E92 PolarHBondContact O-N 3.48Å
89	Y	95.2	Very high	91.5	Very high	153 Å²	153	61.9 Å²	61.9	60%	0.6	32%	0.324	S	S	*	.	H	α-helix	trans	-64.6	-42.7	176.4	-178.8	-101.5	0	0	0	112.6	I85 N86 L87 E92 H93	I85-Y89 PolarHBondContact O-N 3.01Å; I85-Y89 VanDerWaalsContact O-N 3.1Å; N86-Y89 PolarHBondContact O-N 3Å; L87-Y89 VanDerWaalsContact C-N 3.35Å; L87-Y89 PolarHBondContact O-N 3.43Å; Y89-E92 PolarHBondContact O-N 3.47Å; Y89-H93 WeakPolarHBondContact O-CB 3.24Å; Y89-H93 PolarHBondContact O-N 2.88Å
90	I	93.9	Very high	91.6	Very high	19 Å²	19	63.9 Å²	63.9	10%	0.097	33%	0.331	C	S	.	.	H	α-helix	trans	-65.3	-42.7	177.8	-74.7	166.5	0	0	0	111.4	N86 L87 E92 H93 Y94 Y562 L567 D570 N574	N86-I90 WeakPolarHBondContact O-CG1 2.93Å; N86-I90 PolarHBondContact O-N 2.85Å; L87-I90 PolarHBondContact O-N 2.79Å; I90-E92 VanDerWaalsContact C-N 3.35Å; I90-H93 PolarHBondContact O-N 3.23Å; I90-Y94 WeakPolarHBondContact O-CB 2.66Å; I90-Y94 PolarHBondContact O-N 3.46Å; I90-Y562 HydrophobicContact CG2-CE1 4.34Å; I90-Y562 WeakPolarHBondContact CG2-OH 3.47Å; I90-L567 HydrophobicContact CG2-CD1 3.41Å; I90-L567 VanDerWaalsContact CG2-CD1 3.41Å; I90-D570 HydrophobicContact CD1-CB 4.04Å; I90-N574 WeakPolarHBondContact CD1-ND2 3.29Å
91	I	92.4	Very high	91.8	Very high	74 Å²	74	64.5 Å²	64.5	38%	0.379	34%	0.337	S	S	.	.	H	α-helix	trans	-64.2	-44.1	177.1	-69.8	170.4	0	0	0	109.9	L87 S88 H93 Y94 L95	L87-I91 HydrophobicContact CD1-CD1 3.95Å; L87-I91 HydrophobicContact CD1-CG1 4.23Å; L87-I91 HydrophobicContact CD2-CD1 4.42Å; L87-I91 HydrophobicContact CG-CD1 3.77Å; L87-I91 HydrophobicContact CG-CG1 4.42Å; L87-I91 WeakPolarHBondContact O-CB 3.31Å; L87-I91 VanDerWaalsContact O-CG1 3.26Å; L87-I91 WeakPolarHBondContact O-CG1 3.3Å; L87-I91 PolarHBondContact O-N 2.97Å; S88-I91 PolarHBondContact O-N 2.91Å; I91-H93 PolarHBondContact O-N 3.24Å; I91-Y94 PolarHBondContact O-N 3.22Å; I91-L95 HydrophobicContact CG2-CD1 3.7Å; I91-L95 HydrophobicContact CG2-CG 4.17Å; I91-L95 WeakPolarHBondContact O-CB 3.44Å; I91-L95 VanDerWaalsContact O-CG 3.23Å; I91-L95 WeakPolarHBondContact O-CG 3.24Å; I91-L95 PolarHBondContact O-N 3.17Å
92	E	92.3	Very high	91.9	Very high	134 Å²	134	63.3 Å²	63.3	63%	0.626	33%	0.333	S	S	*	.	H	α-helix	trans	-59.5	-46.5	175.6	-174.6	-179.1	175.2	0	0	111.7	S88 Y89 I90 Y94 L95 S96	S88-E92 WeakPolarHBondContact O-CB 3.19Å; S88-E92 PolarHBondContact O-N 3.48Å; Y89-E92 PolarHBondContact O-N 3.47Å; I90-E92 VanDerWaalsContact C-N 3.35Å; E92-Y94 VanDerWaalsContact C-N 3.31Å; E92-Y94 PolarHBondContact O-N 2.65Å; E92-L95 PolarHBondContact O-N 3Å; E92-S96 PolarHBondContact O-N 3.39Å
93	H	91.4	Very high	92	Very high	54 Å²	54	69.9 Å²	69.9	25%	0.25	36%	0.356	C	S	.	.	H	α-helix	trans	-63.3	-35.2	176.8	-174.7	68.3	0	0	0	112.7	Y89 I90 I91 S96 P98 Y562	Y89-H93 WeakPolarHBondContact O-CB 3.24Å; Y89-H93 PolarHBondContact O-N 2.88Å; I90-H93 PolarHBondContact O-N 3.23Å; I91-H93 PolarHBondContact O-N 3.24Å; H93-S96 PolarHBondContact O-OG 2.87Å; H93-P98 WeakPolarHBondContact O-CD 3.29Å; H93-Y562 AromaticContact CD2-CD2 3.88Å; H93-Y562 AromaticContact CD2-CG 3.73Å
94	Y	89.5	Confident	92.1	Very high	17 Å²	17	72.4 Å²	72.4	7%	0.067	37%	0.369	C	S	.	.	H	α-helix	trans	-69.6	-41.7	173.9	-179.3	-97.4	0	0	0	112.5	I90 I91 E92 S96 H97 H319 Y562 L567	I90-Y94 WeakPolarHBondContact O-CB 2.66Å; I90-Y94 PolarHBondContact O-N 3.46Å; I91-Y94 PolarHBondContact O-N 3.22Å; E92-Y94 VanDerWaalsContact C-N 3.31Å; E92-Y94 PolarHBondContact O-N 2.65Å; Y94-S96 VanDerWaalsContact C-N 3.33Å; Y94-H97 PolarHBondContact O-N 2.94Å; Y94-H97 PolarHBondContact O-ND1 3.38Å; Y94-H319 AromaticContact CZ-CD2 3.8Å; Y94-H319 PolarHBondContact OH-CD2 2.92Å; Y94-H319 PolarHBondContact OH-NE2 3.13Å; Y94-Y562 AromaticContact CD2-CD1 3.66Å; Y94-Y562 HydrophobicContact CD2-CD1 3.66Å; Y94-Y562 AromaticContact CD2-CE1 3.99Å; Y94-Y562 HydrophobicContact CD2-CE1 3.99Å; Y94-Y562 HydrophobicContact CG-CD1 4.3Å; Y94-L567 HydrophobicContact CD1-CD2 3.95Å; Y94-L567 HydrophobicContact CD2-CB 3.87Å; Y94-L567 HydrophobicContact CD2-CD1 4.35Å; Y94-L567 HydrophobicContact CD2-CD2 3.75Å; Y94-L567 HydrophobicContact CD2-CG 4.19Å; Y94-L567 HydrophobicContact CE1-CD2 3.98Å; Y94-L567 HydrophobicContact CE2-CB 4.08Å; Y94-L567 HydrophobicContact CE2-CD2 3.82Å; Y94-L567 HydrophobicContact CG-CD1 4.25Å; Y94-L567 HydrophobicContact CG-CD2 3.81Å; Y94-L567 HydrophobicContact CG-CG 4.43Å
95	L	87.7	Confident	92	Very high	109 Å²	109	72.4 Å²	72.4	57%	0.571	37%	0.369	S	S	*	.	H	α-helix	trans	-73.6	-21.9	-179.7	-70.1	177.2	0	0	0	113.2	I91 E92 H97	I91-L95 HydrophobicContact CG2-CD1 3.7Å; I91-L95 HydrophobicContact CG2-CG 4.17Å; I91-L95 WeakPolarHBondContact O-CB 3.44Å; I91-L95 VanDerWaalsContact O-CG 3.23Å; I91-L95 WeakPolarHBondContact O-CG 3.24Å; I91-L95 PolarHBondContact O-N 3.17Å; E92-L95 PolarHBondContact O-N 3Å; L95-H97 PolarHBondContact O-N 3.22Å
96	S	86.7	Confident	91.9	Very high	76 Å²	76	72.4 Å²	72.4	53%	0.531	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-7.3	173	70	0	0	0	0	113.3	E92 H93 Y94	E92-S96 PolarHBondContact O-N 3.39Å; H93-S96 PolarHBondContact O-OG 2.87Å; Y94-S96 VanDerWaalsContact C-N 3.33Å
97	H	85.6	Confident	91.7	Very high	40 Å²	40	74.1 Å²	74.1	19%	0.185	37%	0.373	C	S	.	.			trans	48	58.6	178.6	-62.8	-41.5	0	0	0	113.8	Y94 L95 H317	Y94-H97 PolarHBondContact O-N 2.94Å; Y94-H97 PolarHBondContact O-ND1 3.38Å; L95-H97 PolarHBondContact O-N 3.22Å; H97-H317 VanDerWaalsContact CB-CE1 3.48Å; H97-H317 WeakPolarHBondContact CB-CE1 3.39Å; H97-H317 WeakPolarHBondContact CB-ND1 3.38Å; H97-H317 AromaticContact CD2-CE1 3.95Å; H97-H317 AromaticContact CD2-CG 3.63Å; H97-H317 AromaticContact CD2-ND1 3.54Å; H97-H317 AromaticContact CG-CE1 3.95Å; H97-H317 AromaticContact CG-ND1 3.49Å
98	P	86.5	Confident	91.7	Very high	20 Å²	20	74.1 Å²	74.1	13%	0.13	37%	0.373	C	S	.	.			trans	-64	140.7	-178.3	28.3	-35.7	0	0	0	111.5	H93 E561	H93-P98 WeakPolarHBondContact O-CD 3.29Å; P98-E561 HydrophobicContact CB-CB 4.01Å; P98-E561 WeakPolarHBondContact CB-OE2 3.39Å; P98-E561 HydrophobicContact CG-CB 4.1Å; P98-E561 PolarHBondContact O-N 3.42Å
99	I	88.6	Confident	91.6	Very high	71 Å²	71	74.1 Å²	74.1	36%	0.364	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	125.4	-177.7	-59.4	173.3	0	0	0	108.8	I314 E558 E559	I99-I314 HydrophobicContact CD1-CD1 4.03Å; I99-I314 HydrophobicContact CG1-CD1 4.05Å; I99-E558 HydrophobicContact CG2-CB 3.76Å; I99-E558 HydrophobicContact CG2-CG 4.08Å; I99-E559 CarbonylContact C-O 3.52Å; I99-E559 WeakPolarHBondContact CA-O 3.44Å
100	L	91.4	Very high	91.5	Very high	78 Å²	78	67.2 Å²	67.2	41%	0.408	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	121.2	171.5	179.2	65.8	0	0	0	109.7	T102 E558 E559 E561	L100-T102 HydrophobicContact CD2-CG2 4.12Å; L100-T102 HydrophobicContact CG-CG2 4.08Å; L100-E558 CarbonylContact O-C 3.56Å; L100-E558 WeakPolarHBondContact O-CA 3.49Å; L100-E559 PolarHBondContact N-O 2.79Å; L100-E559 PolarHBondContact O-N 3.5Å; L100-E561 HydrophobicContact CB-CB 3.89Å; L100-E561 HydrophobicContact CB-CG 4.33Å
101	T	93.9	Very high	91.5	Very high	57 Å²	57	70 Å²	70	35%	0.35	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	117.1	174.3	-57.5	0	0	0	0	110.3	Y103 I556	T101-Y103 HydrophobicContact CG2-CE2 4.12Å; T101-I556 HydrophobicContact CG2-CG2 3.47Å; T101-I556 VanDerWaalsContact CG2-CG2 3.47Å
102	T	94.6	Very high	91.6	Very high	41 Å²	41	66.8 Å²	66.8	25%	0.252	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	141.7	178.2	61	0	0	0	0	111.1	L100 I556 R557	L100-T102 HydrophobicContact CD2-CG2 4.12Å; L100-T102 HydrophobicContact CG-CG2 4.08Å; T102-I556 WeakPolarHBondContact O-CA 3.27Å; T102-R557 PolarHBondContact N-O 3.4Å; T102-R557 PolarHBondContact O-N 3.26Å; T102-R557 PolarHBondContact OG1-O 3.47Å
103	Y	94.8	Very high	91.7	Very high	150 Å²	150	60.6 Å²	60.6	59%	0.588	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.9	114.7	178.7	-62.7	-89.1	0	0	0	109.7	T101 L555 I556	T101-Y103 HydrophobicContact CG2-CE2 4.12Å; Y103-L555 WeakPolarHBondContact CA-O 3.46Å; Y103-I556 HydrophobicContact CD1-CD1 4.36Å; Y103-I556 HydrophobicContact CD1-CG1 3.81Å; Y103-I556 HydrophobicContact CE1-CD1 3.92Å; Y103-I556 HydrophobicContact CE1-CG1 3.81Å; Y103-I556 HydrophobicContact CE1-CG2 4.21Å
104	I	94.5	Very high	91.9	Very high	67 Å²	67	58 Å²	58	34%	0.344	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	108	177.7	-60.8	163.3	0	0	0	107.3	Y107 R554 L555	I104-Y107 HydrophobicContact CG2-CD2 4.3Å; I104-R554 WeakPolarHBondContact O-CA 3.45Å; I104-R554 WeakPolarHBondContact O-CG 3.19Å; I104-L555 HydrophobicContact CB-CB 4.19Å; I104-L555 HydrophobicContact CD1-CD2 3.85Å; I104-L555 HydrophobicContact CD1-CG 4.45Å; I104-L555 PolarHBondContact N-O 3.28Å; I104-L555 PolarHBondContact O-N 3.14Å
105	N	93.6	Very high	92.2	Very high	97 Å²	97	57.2 Å²	57.2	52%	0.519	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	158.4	172.9	-65.6	-39.2	0	0	0	110.4	Y107 R554	N105-Y107 VanDerWaalsContact C-N 3.29Å; N105-Y107 PolarHBondContact O-N 3.42Å; N105-R554 PolarHBondContact OD1-NE 2.88Å
106	D	91.1	Very high	92.6	Very high	103 Å²	103	52 Å²	52	55%	0.551	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	54.4	40.7	176.5	-56.4	-53.4	0	0	0	114.4	H552	D106-H552 HydrophobicContact CB-CB 4.17Å; D106-H552 IonicContact OD1-CG 2.8Å; D106-H552 IonicContact OD1-ND1 2.69Å
107	Y	92.2	Very high	93	Very high	93 Å²	93	48.4 Å²	48.4	37%	0.365	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	-49.4	-173.2	178.7	-110.3	0	0	0	113.1	I104 N105 K312 G553 L555	I104-Y107 HydrophobicContact CG2-CD2 4.3Å; N105-Y107 VanDerWaalsContact C-N 3.29Å; N105-Y107 PolarHBondContact O-N 3.42Å; Y107-K312 PolarHBondContact OH-NZ 3.22Å; Y107-G553 PolarHBondContact N-O 3.24Å; Y107-L555 HydrophobicContact CD1-CB 3.73Å; Y107-L555 HydrophobicContact CD1-CD2 4.17Å; Y107-L555 HydrophobicContact CD1-CG 4.42Å; Y107-L555 HydrophobicContact CD2-CB 4Å; Y107-L555 HydrophobicContact CD2-CD2 3.63Å; Y107-L555 HydrophobicContact CD2-CG 4.46Å; Y107-L555 HydrophobicContact CE1-CB 4.34Å; Y107-L555 HydrophobicContact CE1-CD2 4.02Å; Y107-L555 HydrophobicContact CE2-CD2 3.49Å; Y107-L555 VanDerWaalsContact CE2-CD2 3.49Å; Y107-L555 HydrophobicContact CG-CB 3.52Å; Y107-L555 HydrophobicContact CG-CD2 3.98Å; Y107-L555 HydrophobicContact CG-CG 4.35Å
108	E	93.5	Very high	93.3	Very high	35 Å²	35	46.5 Å²	46.5	16%	0.164	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	153.1	-176.2	70.8	-174.9	-179.2	0	0	111.1	M308 R310 H552 G553	E108-M308 HydrophobicContact CG-CE 4.06Å; E108-M308 WeakPolarHBondContact OE1-CE 3.28Å; E108-R310 VanDerWaalsContact OE1-CD 3.29Å; E108-R310 WeakPolarHBondContact OE1-CD 3.39Å; E108-R310 IonicContact OE1-NH1 2.77Å; E108-R310 IonicContact OE2-CZ 2.92Å; E108-R310 IonicContact OE2-NH1 3.04Å; E108-R310 PolarHBondContact OE2-NH1 2.63Å; E108-H552 CarbonylContact O-C 3.18Å; E108-H552 WeakPolarHBondContact O-CA 3.37Å; E108-H552 VanDerWaalsContact O-CB 3.3Å; E108-H552 WeakPolarHBondContact O-CB 3.3Å; E108-G553 PolarHBondContact O-N 2.95Å
109	P	93.4	Very high	93.6	Very high	69 Å²	69	46 Å²	46	45%	0.448	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	140.7	-177.7	26.1	-35	0	0	0	111.6	Q111	P109-Q111 PolarHBondContact O-N 3.24Å
110	F	94.2	Very high	93.5	Very high	7 Å²	7	42.8 Å²	42.8	3%	0.031	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-58.2	122	179.6	-177.5	-89.7	0	0	0	110.6	W112 L306 M308 Y457 R548 P551	F110-W112 HydrophobicContact CD1-CD2 4.37Å; F110-W112 HydrophobicContact CD1-CG 4.33Å; F110-W112 AromaticContact CE1-CD2 3.75Å; F110-W112 HydrophobicContact CE1-CD2 3.75Å; F110-W112 AromaticContact CE1-CE2 3.96Å; F110-W112 HydrophobicContact CE1-CE3 4.03Å; F110-W112 AromaticContact CE1-CG 3.99Å; F110-W112 HydrophobicContact CE1-CG 3.99Å; F110-W112 HydrophobicContact CE1-CZ2 4.41Å; F110-W112 HydrophobicContact CE1-CZ3 4.47Å; F110-L306 HydrophobicContact CZ-CB 4.37Å; F110-M308 HydrophobicContact CD2-CB 3.63Å; F110-M308 HydrophobicContact CD2-SD 4.44Å; F110-M308 HydrophobicContact CE2-CB 3.77Å; F110-Y457 HydrophobicContact CE2-CD1 4.34Å; F110-Y457 HydrophobicContact CE2-CE1 4.15Å; F110-Y457 HydrophobicContact CZ-CD1 4.37Å; F110-Y457 HydrophobicContact CZ-CE1 4.05Å; F110-R548 HydrophobicContact CD1-CB 3.97Å; F110-R548 HydrophobicContact CD2-CB 4Å; F110-R548 HydrophobicContact CE1-CB 3.79Å; F110-R548 HydrophobicContact CE2-CB 3.83Å; F110-R548 HydrophobicContact CG-CB 4.08Å; F110-R548 HydrophobicContact CZ-CB 3.72Å; F110-P551 VanDerWaalsContact CB-O 3.29Å; F110-P551 WeakPolarHBondContact CB-O 3.46Å; F110-P551 PolarHBondContact N-O 3.2Å
111	Q	93.4	Very high	93.2	Very high	79 Å²	79	40.4 Å²	40.4	37%	0.369	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-93.5	124.9	172.2	-178.2	172.6	-6.4	0	0	108.8	P109 M308 Y457	P109-Q111 PolarHBondContact O-N 3.24Å; Q111-M308 HydrophobicContact CB-CE 4.21Å; Q111-M308 HydrophobicContact CB-SD 4.16Å; Q111-M308 PolarHBondContact N-SD 3.16Å; Q111-M308 VanDerWaalsContact N-SD 3.37Å; Q111-Y457 VanDerWaalsContact O-CE1 3.25Å; Q111-Y457 WeakPolarHBondContact O-CE1 3.17Å; Q111-Y457 PolarHBondContact O-OH 3.27Å
112	W	94.5	Very high	92.8	Very high	6 Å²	6	37.8 Å²	37.8	2%	0.023	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-67.8	131.6	175.8	-80.6	93.5	0	0	0	111.3	F110 I240 Y249 I252 L255 I546 R548	F110-W112 HydrophobicContact CD1-CD2 4.37Å; F110-W112 HydrophobicContact CD1-CG 4.33Å; F110-W112 AromaticContact CE1-CD2 3.75Å; F110-W112 HydrophobicContact CE1-CD2 3.75Å; F110-W112 AromaticContact CE1-CE2 3.96Å; F110-W112 HydrophobicContact CE1-CE3 4.03Å; F110-W112 AromaticContact CE1-CG 3.99Å; F110-W112 HydrophobicContact CE1-CG 3.99Å; F110-W112 HydrophobicContact CE1-CZ2 4.41Å; F110-W112 HydrophobicContact CE1-CZ3 4.47Å; W112-I240 HydrophobicContact CB-CG2 3.53Å; W112-I240 HydrophobicContact CG-CG2 3.95Å; W112-Y249 AromaticContact CD1-CD2 3.98Å; W112-Y249 PolarHBondContact NE1-O 3.32Å; W112-Y249 VanDerWaalsContact NE1-O 3.11Å; W112-I252 HydrophobicContact CH2-CG2 4.31Å; W112-I252 HydrophobicContact CZ2-CB 4.03Å; W112-I252 HydrophobicContact CZ2-CG2 3.6Å; W112-I252 WeakPolarHBondContact CZ2-O 3.41Å; W112-L255 HydrophobicContact CD2-CD1 4.17Å; W112-L255 HydrophobicContact CE3-CD1 3.56Å; W112-L255 HydrophobicContact CE3-CG 4.31Å; W112-L255 HydrophobicContact CH2-CD1 4.2Å; W112-L255 HydrophobicContact CH2-CG 4.07Å; W112-L255 HydrophobicContact CZ3-CB 4.47Å; W112-L255 HydrophobicContact CZ3-CD1 3.58Å; W112-L255 HydrophobicContact CZ3-CG 3.93Å; W112-I546 HydrophobicContact CZ3-CG2 4.01Å; W112-R548 HydrophobicContact CZ2-CG 4.34Å
113	P	95.4	Very high	92.4	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.019	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-70	164.9	174.9	25.2	-31.7	0	0	0	112.5	I115 I282 T283 L306 Y457	P113-I115 HydrophobicContact CB-CD1 4.33Å; P113-I115 HydrophobicContact CG-CD1 3.78Å; P113-I282 HydrophobicContact CB-CG2 3.64Å; P113-I282 HydrophobicContact CG-CG2 3.61Å; P113-T283 CarbonylContact C-O 3.58Å; P113-T283 VanDerWaalsContact CA-O 3.31Å; P113-T283 WeakPolarHBondContact CA-O 3.48Å; P113-T283 WeakPolarHBondContact CB-O 3.47Å; P113-L306 HydrophobicContact CG-CD1 3.79Å; P113-Y457 HydrophobicContact CB-CD2 3.9Å; P113-Y457 HydrophobicContact CB-CE1 4.22Å; P113-Y457 HydrophobicContact CB-CE2 3.52Å; P113-Y457 HydrophobicContact CB-CG 4.39Å; P113-Y457 HydrophobicContact CG-CD1 4.37Å; P113-Y457 HydrophobicContact CG-CD2 4.49Å; P113-Y457 HydrophobicContact CG-CE1 4.16Å; P113-Y457 HydrophobicContact CG-CE2 4.31Å
114	D	95	Very high	92	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	127.4	161.2	-73.7	-0.4	0	0	0	108.7	Y223 F238 Q239 T283 P285 N286	D114-Y223 PolarHBondContact OD2-OH 3.05Å; D114-F238 WeakPolarHBondContact CA-O 3.29Å; D114-Q239 WeakPolarHBondContact OD1-CB 3.28Å; D114-Q239 VanDerWaalsContact OD1-CG 3.24Å; D114-Q239 WeakPolarHBondContact OD1-CG 3.45Å; D114-Q239 PolarHBondContact OD1-NE2 3.46Å; D114-Q239 PolarHBondContact OD2-NE2 3.04Å; D114-T283 PolarHBondContact N-O 3.47Å; D114-T283 PolarHBondContact O-N 2.82Å; D114-T283 VanDerWaalsContact O-N 3.07Å; D114-P285 VanDerWaalsContact OD2-CA 3.29Å; D114-P285 WeakPolarHBondContact OD2-CA 3.43Å; D114-N286 PolarHBondContact OD2-N 3.07Å
115	I	96.2	Very high	91.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	109.7	178.6	-54.2	-53.3	0	0	0	107.6	P113 L117 F238 F257 L280 I282 L544 I546	P113-I115 HydrophobicContact CB-CD1 4.33Å; P113-I115 HydrophobicContact CG-CD1 3.78Å; I115-L117 HydrophobicContact CG2-CD1 3.76Å; I115-F238 HydrophobicContact CB-CB 4.19Å; I115-F238 HydrophobicContact CB-CD1 4.41Å; I115-F238 HydrophobicContact CG1-CD1 4.41Å; I115-F238 PolarHBondContact N-O 2.91Å; I115-F238 WeakPolarHBondContact O-CB 3.49Å; I115-F238 PolarHBondContact O-N 2.96Å; I115-F257 HydrophobicContact CG1-CZ 4.49Å; I115-F257 HydrophobicContact CG2-CZ 4.39Å; I115-L280 HydrophobicContact CG2-CD1 3.6Å; I115-I282 HydrophobicContact CD1-CG1 4.14Å; I115-I282 HydrophobicContact CD1-CG2 4.16Å; I115-L544 HydrophobicContact CG2-CD2 4.44Å; I115-I546 HydrophobicContact CB-CD1 4.37Å; I115-I546 HydrophobicContact CD1-CD1 3.38Å; I115-I546 HydrophobicContact CG1-CD1 3.71Å; I115-I546 HydrophobicContact CG2-CD1 3.72Å
116	I	95.7	Very high	91.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	122.5	-173.2	-44.7	-178.4	0	0	0	108.4	C235 F236 N237 L280 Y281 T283 P289	I116-C235 HydrophobicContact CG2-CB 3.84Å; I116-F236 WeakPolarHBondContact CA-O 3.24Å; I116-N237 WeakPolarHBondContact CD1-OD1 3.33Å; I116-N237 WeakPolarHBondContact CG1-OD1 3.26Å; I116-N237 WeakPolarHBondContact CG2-OD1 3.47Å; I116-L280 CarbonylContact O-C 3.51Å; I116-L280 WeakPolarHBondContact O-CA 3.33Å; I116-Y281 HydrophobicContact CB-CD2 4.44Å; I116-Y281 HydrophobicContact CG2-CD2 4.44Å; I116-Y281 PolarHBondContact N-O 3.32Å; I116-Y281 PolarHBondContact O-N 3.42Å; I116-T283 HydrophobicContact CD1-CG2 3.97Å; I116-T283 WeakPolarHBondContact CD1-OG1 3.31Å; I116-P289 HydrophobicContact CD1-CB 4.09Å; I116-P289 HydrophobicContact CD1-CG 4.02Å
117	L	95.6	Very high	91.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	127.1	176.5	-70.7	110.5	0	0	0	110.3	I115 M188 F189 C235 F236 I259 I278 D279 L280 L296 L544	I115-L117 HydrophobicContact CG2-CD1 3.76Å; L117-M188 HydrophobicContact CB-CE 3.38Å; L117-M188 HydrophobicContact CB-SD 4.11Å; L117-M188 HydrophobicContact CG-CE 4.42Å; L117-F189 HydrophobicContact CD1-CE1 3.94Å; L117-F189 HydrophobicContact CD1-CZ 3.77Å; L117-C235 CarbonylContact O-C 3.48Å; L117-C235 WeakPolarHBondContact O-CA 3.36Å; L117-F236 PolarHBondContact N-O 3.49Å; L117-F236 PolarHBondContact O-N 3.26Å; L117-I259 HydrophobicContact CD2-CD1 3.55Å; L117-I259 HydrophobicContact CD2-CG1 4.3Å; L117-I278 HydrophobicContact CB-CG2 4.16Å; L117-I278 HydrophobicContact CD2-CG2 3.82Å; L117-I278 HydrophobicContact CG-CG2 4.49Å; L117-D279 WeakPolarHBondContact CA-O 3.25Å; L117-L280 HydrophobicContact CD1-CD1 4.49Å; L117-L280 HydrophobicContact CG-CD1 4.17Å; L117-L296 HydrophobicContact CD2-CD1 3.78Å; L117-L544 HydrophobicContact CD2-CD2 4.24Å
118	C	92.4	Very high	90.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	130.2	178.2	-52.5	0	0	0	0	109.3	P120 L227 I233 C235 I278 D279	C118-P120 WeakPolarHBondContact O-CD 3.38Å; C118-L227 WeakPolarHBondContact SG-CD1 3.3Å; C118-I233 HydrophobicContact CB-CG2 4.28Å; C118-C235 HydrophobicContact CB-CB 4.07Å; C118-C235 WeakPolarHBondContact CB-SG 3.23Å; C118-C235 WeakPolarHBondContact SG-CB 3.41Å; C118-C235 CovalentContact SG-SG 2.02Å; C118-C235 PolarHBondContact SG-SG 3.42Å; C118-I278 WeakPolarHBondContact O-CG2 3.48Å; C118-D279 HydrophobicContact CB-CB 4.21Å; C118-D279 PolarHBondContact N-O 3.5Å; C118-D279 PolarHBondContact O-N 3.04Å
119	N	91.1	Very high	90.5	Very high	8 Å²	8	24.7 Å²	24.7	4%	0.043	12%	0.122	C	C	.	.			trans	-103.7	86.7	169.5	-168.1	-22	0	0	0	108.4	M121 A122 P123 F261 I278	N119-M121 PolarHBondContact O-N 2.99Å; N119-M121 PolarHBondContact OD1-N 3.18Å; N119-A122 CarbonylContact O-C 3.55Å; N119-A122 PolarHBondContact OD1-N 2.77Å; N119-P123 VanDerWaalsContact O-CA 3.24Å; N119-P123 WeakPolarHBondContact O-CA 3.45Å; N119-P123 WeakPolarHBondContact O-CB 3.44Å; N119-P123 WeakPolarHBondContact O-CD 3.4Å; N119-P123 VanDerWaalsContact O-N 3.16Å; N119-F261 PolarHBondContact ND2-O 2.9Å; N119-I278 HydrophobicContact CB-CG1 4.13Å
120	P	87	Confident	90.2	Very high	5 Å²	5	28 Å²	28	3%	0.032	14%	0.136	C	C	.	.	S	Bend	trans	-64.4	-26	-176.2	29.5	-37.6	0	0	0	112.1	C118 K229 Y231 I233	C118-P120 WeakPolarHBondContact O-CD 3.38Å; P120-K229 HydrophobicContact CB-CD 4.08Å; P120-Y231 PolarHBondContact O-OH 3.5Å; P120-I233 HydrophobicContact CB-CD1 3.62Å; P120-I233 HydrophobicContact CB-CG1 4.45Å
121	M	84.4	Confident	90.1	Very high	27 Å²	27	28.8 Å²	28.8	13%	0.133	14%	0.139	C	C	.	.	S	Bend	trans	-93.3	-29.7	-172	-62.9	-58.1	107.1	0	0	113.6	N119 P123 Y266 S271 T274	N119-M121 PolarHBondContact O-N 2.99Å; N119-M121 PolarHBondContact OD1-N 3.18Å; M121-P123 VanDerWaalsContact C-CD 3.46Å; M121-Y266 HydrophobicContact CB-CD2 3.8Å; M121-Y266 HydrophobicContact CB-CE2 4.2Å; M121-Y266 HydrophobicContact CG-CE2 4.49Å; M121-S271 WeakPolarHBondContact SD-CB 3.39Å; M121-S271 PolarHBondContact SD-OG 2.85Å; M121-S271 VanDerWaalsContact SD-OG 3.39Å; M121-T274 PolarHBondContact SD-OG1 3.29Å
122	A	86.5	Confident	90	Very high	3 Å²	3	29.8 Å²	29.8	3%	0.025	14%	0.141	C	C	.	.	S	Bend	trans	-132.5	65.2	172.8	0	0	0	0	0	111	N119 Y124 N265	N119-A122 CarbonylContact O-C 3.55Å; N119-A122 PolarHBondContact OD1-N 2.77Å; A122-Y124 PolarHBondContact O-N 2.88Å; A122-N265 HydrophobicContact CB-CB 3.79Å
123	P	85.9	Confident	90	Very high	17 Å²	17	34.4 Å²	34.4	11%	0.11	16%	0.162	C	C	.	.			trans	-67.7	-16.9	-175.3	23.3	-30.9	0	0	0	113.6	N119 M121 I233 P234	N119-P123 VanDerWaalsContact O-CA 3.24Å; N119-P123 WeakPolarHBondContact O-CA 3.45Å; N119-P123 WeakPolarHBondContact O-CB 3.44Å; N119-P123 WeakPolarHBondContact O-CD 3.4Å; N119-P123 VanDerWaalsContact O-N 3.16Å; M121-P123 VanDerWaalsContact C-CD 3.46Å; P123-I233 HydrophobicContact CB-CG2 4.5Å; P123-P234 HydrophobicContact CB-CG 4.01Å
124	Y	87.4	Confident	89.9	Confident	13 Å²	13	36.3 Å²	36.3	5%	0.051	17%	0.172	C	C	.	.	S	Bend	trans	-130.2	150.4	-177.4	-46.9	-59.7	0	0	0	111.7	A122 V126 W135 H172 I175 F180 I182 P234 N265	A122-Y124 PolarHBondContact O-N 2.88Å; Y124-V126 PolarHBondContact O-N 3.23Å; Y124-W135 HydrophobicContact CD2-CZ3 4.14Å; Y124-H172 AromaticContact CE2-CE1 3.25Å; Y124-H172 WeakPolarHBondContact CE2-CE1 3.48Å; Y124-H172 AromaticContact CE2-ND1 3.31Å; Y124-H172 VanDerWaalsContact CE2-ND1 3.31Å; Y124-H172 WeakPolarHBondContact CE2-ND1 3.25Å; Y124-H172 AromaticContact CZ-CE1 3.92Å; Y124-H172 AromaticContact CZ-ND1 3.62Å; Y124-H172 PolarHBondContact OH-ND1 2.77Å; Y124-I175 HydrophobicContact CD1-CD1 4.35Å; Y124-I175 HydrophobicContact CD2-CD1 3.73Å; Y124-I175 HydrophobicContact CE1-CD1 3.84Å; Y124-I175 HydrophobicContact CE2-CD1 3.09Å; Y124-I175 HydrophobicContact CG-CD1 4.32Å; Y124-I175 WeakPolarHBondContact OH-CD1 3.13Å; Y124-F180 HydrophobicContact CD1-CB 4.47Å; Y124-I182 HydrophobicContact CD1-CD1 4.03Å; Y124-I182 HydrophobicContact CD1-CG1 3.8Å; Y124-I182 HydrophobicContact CE1-CD1 3.48Å; Y124-I182 VanDerWaalsContact CE1-CD1 3.48Å; Y124-I182 HydrophobicContact CE1-CG1 3.73Å; Y124-P234 HydrophobicContact CD1-CG 4.42Å; Y124-P234 HydrophobicContact CE1-CG 3.75Å; Y124-N265 PolarHBondContact O-ND2 3.39Å
125	N	86.8	Confident	89.8	Confident	9 Å²	9	36.4 Å²	36.4	5%	0.048	17%	0.173	C	C	.	.			trans	-80.6	108.3	169.7	-176.7	-7.6	0	0	0	109.9	Y127 K131 D187 N265	N125-Y127 VanDerWaalsContact CG-CE1 3.48Å; N125-Y127 WeakPolarHBondContact ND2-CE1 3.4Å; N125-Y127 WeakPolarHBondContact OD1-CD1 3.4Å; N125-Y127 WeakPolarHBondContact OD1-CE1 3.32Å; N125-K131 WeakPolarHBondContact O-CD 3.24Å; N125-D187 PolarHBondContact ND2-OD1 3.21Å; N125-N265 WeakPolarHBondContact CA-ND2 3.05Å
126	V	89	Confident	89.7	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.183	C	C	.	.			trans	-121.6	-5	-176	-61.6	0	0	0	0	113.7	Y124 T128 Y132 W135 F180 N265 I268 I269	Y124-V126 PolarHBondContact O-N 3.23Å; V126-T128 VanDerWaalsContact C-N 3.33Å; V126-T128 PolarHBondContact O-N 2.91Å; V126-Y132 WeakPolarHBondContact O-CA 3.47Å; V126-Y132 VanDerWaalsContact O-CB 3.28Å; V126-Y132 WeakPolarHBondContact O-CB 3.41Å; V126-Y132 PolarHBondContact O-N 2.91Å; V126-W135 HydrophobicContact CB-CB 4.4Å; V126-W135 HydrophobicContact CB-CG 4.41Å; V126-W135 HydrophobicContact CG1-CB 4.24Å; V126-W135 HydrophobicContact CG1-CD2 4.01Å; V126-W135 HydrophobicContact CG1-CE3 3.92Å; V126-W135 HydrophobicContact CG1-CG 4.15Å; V126-F180 HydrophobicContact CG1-CD1 4.16Å; V126-F180 HydrophobicContact CG1-CE1 4.05Å; V126-N265 HydrophobicContact CG2-CB 4.01Å; V126-N265 WeakPolarHBondContact CG2-OD1 3.5Å; V126-N265 PolarHBondContact N-OD1 3.14Å; V126-I268 HydrophobicContact CB-CG2 4.39Å; V126-I268 HydrophobicContact CG2-CB 3.93Å; V126-I268 HydrophobicContact CG2-CD1 4.25Å; V126-I268 HydrophobicContact CG2-CG2 3.6Å; V126-I269 HydrophobicContact CG2-CD1 4.12Å; V126-I269 HydrophobicContact CG2-CG1 3.97Å
127	Y	85.5	Confident	89.7	Confident	71 Å²	71	42.5 Å²	42.5	28%	0.278	21%	0.205	S	C	.	.			trans	-71.8	-25.4	-176.1	73.6	-97.7	0	0	0	113.6	N125 N265	N125-Y127 VanDerWaalsContact CG-CE1 3.48Å; N125-Y127 WeakPolarHBondContact ND2-CE1 3.4Å; N125-Y127 WeakPolarHBondContact OD1-CD1 3.4Å; N125-Y127 WeakPolarHBondContact OD1-CE1 3.32Å; Y127-N265 WeakPolarHBondContact CB-OD1 3.46Å; Y127-N265 VanDerWaalsContact CD1-OD1 3.32Å; Y127-N265 WeakPolarHBondContact CD1-OD1 3.49Å; Y127-N265 PolarHBondContact N-OD1 2.79Å
128	T	86.1	Confident	89.6	Confident	44 Å²	44	43.7 Å²	43.7	27%	0.27	21%	0.21	S	C	.	.	S	Bend	trans	-65.2	138.8	178.4	59.8	0	0	0	0	110.2	V126 D130 K131 Y132	V126-T128 VanDerWaalsContact C-N 3.33Å; V126-T128 PolarHBondContact O-N 2.91Å; T128-D130 VanDerWaalsContact C-N 3.32Å; T128-D130 PolarHBondContact O-N 2.87Å; T128-D130 VanDerWaalsContact O-N 3.12Å; T128-K131 PolarHBondContact O-N 3.36Å; T128-K131 WeakPolarHBondContact OG1-CB 3.3Å; T128-K131 WeakPolarHBondContact OG1-CD 3.2Å; T128-K131 VanDerWaalsContact OG1-CG 3.26Å; T128-K131 WeakPolarHBondContact OG1-CG 3.26Å; T128-Y132 WeakPolarHBondContact O-CB 3.36Å; T128-Y132 PolarHBondContact O-N 2.8Å
129	K	84.3	Confident	89.7	Confident	157 Å²	157	44.4 Å²	44.4	68%	0.683	21%	0.214	S	C	*	.	H	α-helix	trans	-46.3	-48.5	-173.5	-171.7	178.9	179.8	179.9	0	114.4	Y132 Q133	K129-Y132 PolarHBondContact O-N 2.78Å; K129-Q133 PolarHBondContact O-N 2.92Å; K129-Q133 VanDerWaalsContact O-N 3.13Å
130	D	88.5	Confident	90	Very high	137 Å²	137	48.6 Å²	48.6	73%	0.733	23%	0.233	S	C	*	.	H	α-helix	trans	-67.6	-43.4	-177.4	-59.6	-24.1	0	0	0	112.1	T128 L134	T128-D130 VanDerWaalsContact C-N 3.32Å; T128-D130 PolarHBondContact O-N 2.87Å; T128-D130 VanDerWaalsContact O-N 3.12Å; D130-L134 WeakPolarHBondContact O-CB 3.38Å; D130-L134 PolarHBondContact O-N 3.08Å; D130-L134 VanDerWaalsContact O-N 3.1Å
131	K	91	Very high	90.4	Very high	24 Å²	24	51.9 Å²	51.9	10%	0.104	25%	0.25	C	S	.	.	H	α-helix	trans	-71.9	-32.2	177.9	-60.2	-175.4	-176	178.1	0	112.4	N125 T128 L134 W135 Q179 F180 N181	N125-K131 WeakPolarHBondContact O-CD 3.24Å; T128-K131 PolarHBondContact O-N 3.36Å; T128-K131 WeakPolarHBondContact OG1-CB 3.3Å; T128-K131 WeakPolarHBondContact OG1-CD 3.2Å; T128-K131 VanDerWaalsContact OG1-CG 3.26Å; T128-K131 WeakPolarHBondContact OG1-CG 3.26Å; K131-L134 PolarHBondContact O-N 3.14Å; K131-W135 VanDerWaalsContact O-CB 3.23Å; K131-W135 WeakPolarHBondContact O-CB 3.41Å; K131-W135 PolarHBondContact O-N 2.97Å; K131-Q179 WeakPolarHBondContact CE-O 3.32Å; K131-F180 HydrophobicContact CB-CE1 4.5Å; K131-F180 PolarHBondContact NZ-O 3.21Å; K131-N181 PolarHBondContact NZ-ND2 3.09Å
132	Y	91.9	Very high	91	Very high	101 Å²	101	50.6 Å²	50.6	40%	0.396	24%	0.244	S	C	.	.	H	α-helix	trans	-62.7	-47.5	175.5	179.3	-107.5	0	0	0	111	V126 T128 K129 W135 N136 I268	V126-Y132 WeakPolarHBondContact O-CA 3.47Å; V126-Y132 VanDerWaalsContact O-CB 3.28Å; V126-Y132 WeakPolarHBondContact O-CB 3.41Å; V126-Y132 PolarHBondContact O-N 2.91Å; T128-Y132 WeakPolarHBondContact O-CB 3.36Å; T128-Y132 PolarHBondContact O-N 2.8Å; K129-Y132 PolarHBondContact O-N 2.78Å; Y132-W135 PolarHBondContact O-N 3.3Å; Y132-N136 WeakPolarHBondContact CE1-ND2 3.27Å; Y132-N136 PolarHBondContact O-N 2.84Å; Y132-N136 PolarHBondContact O-ND2 3.46Å; Y132-N136 PolarHBondContact OH-ND2 2.98Å; Y132-I268 HydrophobicContact CD2-CD1 3.85Å; Y132-I268 HydrophobicContact CD2-CG1 4.11Å; Y132-I268 HydrophobicContact CD2-CG2 3.75Å; Y132-I268 HydrophobicContact CE2-CB 4.43Å; Y132-I268 HydrophobicContact CE2-CD1 4.15Å; Y132-I268 HydrophobicContact CE2-CG1 3.93Å; Y132-I268 HydrophobicContact CE2-CG2 3.7Å
133	Q	93.5	Very high	91.5	Very high	102 Å²	102	55.4 Å²	55.4	48%	0.477	26%	0.262	S	S	.	.	H	α-helix	trans	-61.3	-48.5	175.8	-175.6	59.4	42.9	0	0	110.9	K129 W135 N136 D137	K129-Q133 PolarHBondContact O-N 2.92Å; K129-Q133 VanDerWaalsContact O-N 3.13Å; Q133-W135 VanDerWaalsContact C-N 3.32Å; Q133-W135 PolarHBondContact O-N 3Å; Q133-N136 PolarHBondContact O-N 2.88Å; Q133-N136 VanDerWaalsContact O-N 3.16Å; Q133-D137 PolarHBondContact NE2-OD1 3.26Å; Q133-D137 VanDerWaalsContact O-CG 3.24Å; Q133-D137 PolarHBondContact O-N 3.08Å
134	L	93.5	Very high	91.9	Very high	43 Å²	43	58.9 Å²	58.9	23%	0.225	28%	0.279	C	S	.	.	H	α-helix	trans	-59.3	-42.5	178.7	-177.9	62.5	0	0	0	112.3	D130 K131 D137 Y138 Q179 F180	D130-L134 WeakPolarHBondContact O-CB 3.38Å; D130-L134 PolarHBondContact O-N 3.08Å; D130-L134 VanDerWaalsContact O-N 3.1Å; K131-L134 PolarHBondContact O-N 3.14Å; L134-D137 PolarHBondContact O-N 2.85Å; L134-Y138 HydrophobicContact CD1-CD2 4.18Å; L134-Y138 HydrophobicContact CD1-CE2 3.59Å; L134-Y138 HydrophobicContact CD2-CE2 4.21Å; L134-Y138 HydrophobicContact CG-CD2 4.06Å; L134-Y138 HydrophobicContact CG-CE2 3.64Å; L134-Y138 WeakPolarHBondContact O-CD2 3.33Å; L134-Y138 PolarHBondContact O-N 3.43Å; L134-Y138 VanDerWaalsContact O-N 3.14Å; L134-Q179 HydrophobicContact CD2-CB 3.98Å; L134-Q179 HydrophobicContact CD2-CG 4.47Å; L134-F180 HydrophobicContact CD2-CE2 3.92Å; L134-F180 HydrophobicContact CD2-CZ 3.88Å; L134-F180 HydrophobicContact CG-CE2 4.35Å; L134-F180 HydrophobicContact CG-CZ 3.98Å
135	W	93.3	Very high	92.4	Very high	4 Å²	4	59 Å²	59	2%	0.015	28%	0.281	C	S	.	.	H	α-helix	trans	-59.6	-47.9	174.9	177.4	-99.6	0	0	0	111.3	Y124 V126 K131 Y132 Q133 D137 Y138 V139 I171 F180 I269	Y124-W135 HydrophobicContact CD2-CZ3 4.14Å; V126-W135 HydrophobicContact CB-CB 4.4Å; V126-W135 HydrophobicContact CB-CG 4.41Å; V126-W135 HydrophobicContact CG1-CB 4.24Å; V126-W135 HydrophobicContact CG1-CD2 4.01Å; V126-W135 HydrophobicContact CG1-CE3 3.92Å; V126-W135 HydrophobicContact CG1-CG 4.15Å; K131-W135 VanDerWaalsContact O-CB 3.23Å; K131-W135 WeakPolarHBondContact O-CB 3.41Å; K131-W135 PolarHBondContact O-N 2.97Å; Y132-W135 PolarHBondContact O-N 3.3Å; Q133-W135 VanDerWaalsContact C-N 3.32Å; Q133-W135 PolarHBondContact O-N 3Å; W135-D137 VanDerWaalsContact C-N 3.31Å; W135-D137 PolarHBondContact O-N 3.35Å; W135-Y138 PolarHBondContact O-N 3.03Å; W135-V139 HydrophobicContact CD2-CG2 4.38Å; W135-V139 HydrophobicContact CG-CG2 4.42Å; W135-V139 HydrophobicContact CZ2-CG2 4.29Å; W135-V139 VanDerWaalsContact O-CG2 3.3Å; W135-V139 WeakPolarHBondContact O-CG2 3.49Å; W135-V139 PolarHBondContact O-N 2.97Å; W135-I171 HydrophobicContact CE3-CG2 4.1Å; W135-I171 HydrophobicContact CH2-CG2 3.69Å; W135-I171 HydrophobicContact CZ2-CG2 4.48Å; W135-I171 HydrophobicContact CZ3-CG2 3.46Å; W135-I171 VanDerWaalsContact CZ3-CG2 3.46Å; W135-F180 HydrophobicContact CB-CE1 4.37Å; W135-F180 HydrophobicContact CE3-CE1 4.2Å; W135-F180 HydrophobicContact CE3-CZ 4.39Å; W135-I269 HydrophobicContact CH2-CG1 4.29Å; W135-I269 HydrophobicContact CZ2-CB 4.29Å; W135-I269 HydrophobicContact CZ2-CG1 3.78Å; W135-I269 HydrophobicContact CZ2-CG2 4.07Å
136	N	94	Very high	92.8	Very high	41 Å²	41	59 Å²	59	22%	0.219	28%	0.281	C	S	.	.	H	α-helix	trans	-61	-39.8	178	-74.7	-23.7	0	0	0	112.3	Y132 Q133 Y138 V139 Q140	Y132-N136 WeakPolarHBondContact CE1-ND2 3.27Å; Y132-N136 PolarHBondContact O-N 2.84Å; Y132-N136 PolarHBondContact O-ND2 3.46Å; Y132-N136 PolarHBondContact OH-ND2 2.98Å; Q133-N136 PolarHBondContact O-N 2.88Å; Q133-N136 VanDerWaalsContact O-N 3.16Å; N136-Y138 VanDerWaalsContact C-N 3.34Å; N136-Y138 PolarHBondContact O-N 3.24Å; N136-V139 PolarHBondContact O-N 3.01Å; N136-Q140 VanDerWaalsContact O-CG 3.31Å; N136-Q140 WeakPolarHBondContact O-CG 3.31Å; N136-Q140 PolarHBondContact O-N 3.48Å
137	D	95.3	Very high	93	Very high	87 Å²	87	65.3 Å²	65.3	47%	0.465	31%	0.314	S	S	.	.	H	α-helix	trans	-61.2	-44	177.1	-64	-20	0	0	0	111	Q133 L134 W135 Q140 L141	Q133-D137 PolarHBondContact NE2-OD1 3.26Å; Q133-D137 VanDerWaalsContact O-CG 3.24Å; Q133-D137 PolarHBondContact O-N 3.08Å; L134-D137 PolarHBondContact O-N 2.85Å; W135-D137 VanDerWaalsContact C-N 3.31Å; W135-D137 PolarHBondContact O-N 3.35Å; D137-Q140 PolarHBondContact O-N 3.07Å; D137-L141 WeakPolarHBondContact O-CB 3.46Å; D137-L141 PolarHBondContact O-N 3.45Å
138	Y	95.2	Very high	93.5	Very high	25 Å²	25	68 Å²	68	10%	0.098	32%	0.323	C	S	.	.	H	α-helix	trans	-63.8	-41.8	173.8	-75.3	-60.6	0	0	0	112.7	L134 W135 N136 L141 A142 T174 I175 F180 M406	L134-Y138 HydrophobicContact CD1-CD2 4.18Å; L134-Y138 HydrophobicContact CD1-CE2 3.59Å; L134-Y138 HydrophobicContact CD2-CE2 4.21Å; L134-Y138 HydrophobicContact CG-CD2 4.06Å; L134-Y138 HydrophobicContact CG-CE2 3.64Å; L134-Y138 WeakPolarHBondContact O-CD2 3.33Å; L134-Y138 PolarHBondContact O-N 3.43Å; L134-Y138 VanDerWaalsContact O-N 3.14Å; W135-Y138 PolarHBondContact O-N 3.03Å; N136-Y138 VanDerWaalsContact C-N 3.34Å; N136-Y138 PolarHBondContact O-N 3.24Å; Y138-L141 PolarHBondContact O-N 3.35Å; Y138-A142 WeakPolarHBondContact O-CB 3.37Å; Y138-A142 PolarHBondContact O-N 3.19Å; Y138-T174 HydrophobicContact CD1-CG2 4.05Å; Y138-T174 HydrophobicContact CE1-CG2 3.62Å; Y138-I175 HydrophobicContact CD2-CG2 4Å; Y138-I175 HydrophobicContact CE2-CG2 4.12Å; Y138-I175 HydrophobicContact CG-CG2 4.44Å; Y138-F180 HydrophobicContact CD2-CE2 4.27Å; Y138-F180 HydrophobicContact CD2-CZ 4.13Å; Y138-F180 AromaticContact CE2-CE2 3.91Å; Y138-F180 HydrophobicContact CE2-CE2 3.91Å; Y138-F180 HydrophobicContact CE2-CZ 4.15Å; Y138-M406 HydrophobicContact CD1-CE 4.44Å
139	V	94.3	Very high	94	Very high	15 Å²	15	66.3 Å²	66.3	9%	0.091	31%	0.312	C	S	.	.	H	α-helix	trans	-62.1	-44.7	177.7	170	0	0	0	0	111.1	W135 N136 A142 R143 I171	W135-V139 HydrophobicContact CD2-CG2 4.38Å; W135-V139 HydrophobicContact CG-CG2 4.42Å; W135-V139 HydrophobicContact CZ2-CG2 4.29Å; W135-V139 VanDerWaalsContact O-CG2 3.3Å; W135-V139 WeakPolarHBondContact O-CG2 3.49Å; W135-V139 PolarHBondContact O-N 2.97Å; N136-V139 PolarHBondContact O-N 3.01Å; V139-A142 PolarHBondContact O-N 3.24Å; V139-R143 HydrophobicContact CG1-CG 4.45Å; V139-R143 WeakPolarHBondContact O-CB 3.49Å; V139-R143 VanDerWaalsContact O-CG 3.31Å; V139-R143 WeakPolarHBondContact O-CG 3.36Å; V139-R143 PolarHBondContact O-N 2.79Å; V139-I171 HydrophobicContact CB-CD1 4.34Å; V139-I171 HydrophobicContact CG2-CD1 3.64Å
140	Q	95.8	Very high	94.5	Very high	95 Å²	95	60.1 Å²	60.1	44%	0.444	29%	0.289	S	S	.	.	H	α-helix	trans	-66	-41.9	178.3	-67.4	-57.2	-30.1	0	0	111.6	N136 D137 R143 N144	N136-Q140 VanDerWaalsContact O-CG 3.31Å; N136-Q140 WeakPolarHBondContact O-CG 3.31Å; N136-Q140 PolarHBondContact O-N 3.48Å; D137-Q140 PolarHBondContact O-N 3.07Å; Q140-R143 PolarHBondContact O-N 3.4Å; Q140-N144 WeakPolarHBondContact O-CB 3.41Å; Q140-N144 PolarHBondContact O-N 2.93Å; Q140-N144 PolarHBondContact O-ND2 3.31Å
141	L	96.8	Very high	94.8	Very high	75 Å²	75	57.3 Å²	57.3	39%	0.393	27%	0.27	S	S	.	.	H	α-helix	trans	-59.3	-49	174.3	179.8	61.6	0	0	0	111.5	D137 Y138 R143 N144 L145 M406	D137-L141 WeakPolarHBondContact O-CB 3.46Å; D137-L141 PolarHBondContact O-N 3.45Å; Y138-L141 PolarHBondContact O-N 3.35Å; L141-R143 PolarHBondContact O-N 2.95Å; L141-N144 PolarHBondContact O-N 3.04Å; L141-L145 HydrophobicContact CD1-CD1 4.09Å; L141-L145 HydrophobicContact CG-CD1 4.13Å; L141-L145 WeakPolarHBondContact O-CG 3.29Å; L141-L145 PolarHBondContact O-N 3.44Å; L141-M406 HydrophobicContact CD2-CB 4.26Å; L141-M406 HydrophobicContact CD2-CE 4.31Å; L141-M406 HydrophobicContact CD2-SD 4.2Å; L141-M406 HydrophobicContact CG-SD 4.05Å
142	A	96.6	Very high	95	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62	-43.1	179.3	0	0	0	0	0	112	Y138 V139 N144 L145 S146 I167 L170 I171 M406	Y138-A142 WeakPolarHBondContact O-CB 3.37Å; Y138-A142 PolarHBondContact O-N 3.19Å; V139-A142 PolarHBondContact O-N 3.24Å; A142-N144 PolarHBondContact O-N 2.85Å; A142-L145 PolarHBondContact O-N 2.65Å; A142-S146 VanDerWaalsContact O-CB 3.25Å; A142-S146 WeakPolarHBondContact O-CB 3.41Å; A142-S146 PolarHBondContact O-N 3.06Å; A142-I167 HydrophobicContact CB-CG2 4.05Å; A142-L170 HydrophobicContact CB-CB 4.09Å; A142-L170 HydrophobicContact CB-CD1 4.31Å; A142-I171 HydrophobicContact CB-CD1 4.3Å; A142-I171 HydrophobicContact CB-CG1 3.81Å; A142-M406 HydrophobicContact CB-CE 4.06Å; A142-M406 HydrophobicContact CB-SD 4.06Å
143	R	96.1	Very high	95.1	Very high	104 Å²	104	55.7 Å²	55.7	39%	0.392	27%	0.269	S	S	.	.	H	α-helix	trans	-62.6	-39.8	176	-77.7	175.3	174.8	171.4	0	113	V139 Q140 L141 L145 S146 I167	V139-R143 HydrophobicContact CG1-CG 4.45Å; V139-R143 WeakPolarHBondContact O-CB 3.49Å; V139-R143 VanDerWaalsContact O-CG 3.31Å; V139-R143 WeakPolarHBondContact O-CG 3.36Å; V139-R143 PolarHBondContact O-N 2.79Å; Q140-R143 PolarHBondContact O-N 3.4Å; L141-R143 PolarHBondContact O-N 2.95Å; R143-L145 VanDerWaalsContact C-N 3.32Å; R143-L145 PolarHBondContact O-N 2.92Å; R143-S146 PolarHBondContact O-OG 3.02Å; R143-I167 HydrophobicContact CG-CD1 3.78Å; R143-I167 HydrophobicContact CG-CG1 4.35Å
144	N	96.1	Very high	95	Very high	90 Å²	90	50.9 Å²	50.9	48%	0.481	25%	0.246	S	C	.	.	H	α-helix	trans	-70.1	-31.3	178.2	-71.5	-22.6	0	0	0	112.4	Q140 L141 A142 R148	Q140-N144 WeakPolarHBondContact O-CB 3.41Å; Q140-N144 PolarHBondContact O-N 2.93Å; Q140-N144 PolarHBondContact O-ND2 3.31Å; L141-N144 PolarHBondContact O-N 3.04Å; A142-N144 PolarHBondContact O-N 2.85Å; N144-R148 PolarHBondContact O-NE 3.05Å; N144-R148 VanDerWaalsContact O-NE 3.08Å; N144-R148 PolarHBondContact O-NH2 3.05Å
145	L	96.5	Very high	94.9	Very high	15 Å²	15	52 Å²	52	8%	0.079	25%	0.252	C	S	.	.	H	α-helix	trans	-78.3	-40.5	174.8	-72.7	168.9	0	0	0	111.7	L141 A142 R143 I147 R148 L149 M406 E411 L414	L141-L145 HydrophobicContact CD1-CD1 4.09Å; L141-L145 HydrophobicContact CG-CD1 4.13Å; L141-L145 WeakPolarHBondContact O-CG 3.29Å; L141-L145 PolarHBondContact O-N 3.44Å; A142-L145 PolarHBondContact O-N 2.65Å; R143-L145 VanDerWaalsContact C-N 3.32Å; R143-L145 PolarHBondContact O-N 2.92Å; L145-I147 PolarHBondContact O-N 3.08Å; L145-R148 PolarHBondContact O-N 3.24Å; L145-L149 HydrophobicContact CB-CD1 4.16Å; L145-L149 WeakPolarHBondContact O-CG 3.35Å; L145-L149 PolarHBondContact O-N 3.21Å; L145-L149 VanDerWaalsContact O-N 3.15Å; L145-M406 HydrophobicContact CD1-CG 4.04Å; L145-M406 HydrophobicContact CD1-SD 3.66Å; L145-E411 HydrophobicContact CD2-CB 4.01Å; L145-E411 HydrophobicContact CD2-CG 3.97Å; L145-L414 HydrophobicContact CD1-CD1 4.18Å
146	S	94.9	Very high	94.6	Very high	9 Å²	9	56.6 Å²	56.6	6%	0.063	27%	0.274	C	S	.	.	H	α-helix	trans	-58.3	-26.3	-174.4	75.7	0	0	0	0	114.3	A142 R143 R148 M166	A142-S146 VanDerWaalsContact O-CB 3.25Å; A142-S146 WeakPolarHBondContact O-CB 3.41Å; A142-S146 PolarHBondContact O-N 3.06Å; R143-S146 PolarHBondContact O-OG 3.02Å; S146-R148 VanDerWaalsContact C-N 3.28Å; S146-R148 PolarHBondContact O-N 2.96Å; S146-M166 VanDerWaalsContact O-CE 3.25Å; S146-M166 WeakPolarHBondContact O-CE 3.46Å
147	I	95	Very high	94.3	Very high	133 Å²	133	58 Å²	58	68%	0.682	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-29.8	175.5	-62.8	166.5	0	0	0	111.9	L145	L145-I147 PolarHBondContact O-N 3.08Å
148	R	94.7	Very high	93.8	Very high	128 Å²	128	55.8 Å²	55.8	48%	0.483	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-12	-170.2	-67.2	173.8	-75.1	155.7	2	113.6	N144 L145 S146 E411	N144-R148 PolarHBondContact O-NE 3.05Å; N144-R148 VanDerWaalsContact O-NE 3.08Å; N144-R148 PolarHBondContact O-NH2 3.05Å; L145-R148 PolarHBondContact O-N 3.24Å; S146-R148 VanDerWaalsContact C-N 3.28Å; S146-R148 PolarHBondContact O-N 2.96Å; R148-E411 WeakPolarHBondContact CD-OE1 3.36Å; R148-E411 IonicContact CZ-OE1 3.53Å; R148-E411 IonicContact CZ-OE2 3.9Å; R148-E411 VanDerWaalsContact CZ-OE2 3.29Å; R148-E411 IonicContact NE-OE1 2.72Å; R148-E411 IonicContact NH1-OE1 2.75Å; R148-E411 PolarHBondContact NH1-OE1 3.36Å; R148-E411 IonicContact NH1-OE2 3.19Å; R148-E411 PolarHBondContact NH1-OE2 3.36Å; R148-E411 IonicContact NH2-OE2 3.41Å
149	L	96.1	Very high	93.4	Very high	7 Å²	7	62 Å²	62	4%	0.037	30%	0.298	C	S	.	.	S	Bend	trans	-83.9	145.9	177.6	-66	176.4	0	0	0	111.4	L145 M166 L170 L414 I415 I418	L145-L149 HydrophobicContact CB-CD1 4.16Å; L145-L149 WeakPolarHBondContact O-CG 3.35Å; L145-L149 PolarHBondContact O-N 3.21Å; L145-L149 VanDerWaalsContact O-N 3.15Å; L149-M166 HydrophobicContact CB-SD 3.89Å; L149-M166 HydrophobicContact CD1-SD 4.44Å; L149-L170 HydrophobicContact CD1-CD1 3.88Å; L149-L170 HydrophobicContact CD1-CD2 4.04Å; L149-L414 HydrophobicContact CD2-CB 3.96Å; L149-I415 HydrophobicContact CD2-CD1 4.49Å; L149-I415 HydrophobicContact CD2-CG1 3.55Å; L149-I418 HydrophobicContact CB-CD1 3.98Å; L149-I418 HydrophobicContact CD1-CD1 3.96Å; L149-I418 HydrophobicContact CD2-CD1 4.04Å; L149-I418 HydrophobicContact CG-CD1 4.19Å
150	P	96.3	Very high	93.1	Very high	28 Å²	28	69 Å²	69	18%	0.182	33%	0.334	C	S	.	.			trans	-63.7	141	175.7	25.4	-32.3	0	0	0	110.9	I415 I418 D419	P150-I415 HydrophobicContact CG-CG2 4.34Å; P150-I418 HydrophobicContact CG-CB 4.05Å; P150-I418 HydrophobicContact CG-CG2 3.74Å; P150-D419 WeakPolarHBondContact CG-OD1 3.44Å
151	K	94.6	Very high	92.7	Very high	78 Å²	78	65.1 Å²	65.1	34%	0.339	32%	0.317	S	S	.	.			trans	-101.8	-12.6	-172.8	-61.7	-169.7	-175.6	-171.6	0	113.9	L153 F154 I155 T162 N163 M166	K151-L153 VanDerWaalsContact C-N 3.31Å; K151-L153 PolarHBondContact O-N 2.63Å; K151-F154 PolarHBondContact O-N 2.81Å; K151-I155 HydrophobicContact CB-CD1 4.15Å; K151-I155 HydrophobicContact CB-CG1 4.4Å; K151-I155 WeakPolarHBondContact O-CG1 2.96Å; K151-I155 PolarHBondContact O-N 3.49Å; K151-I155 VanDerWaalsContact O-N 3.07Å; K151-T162 HydrophobicContact CB-CG2 4.17Å; K151-T162 HydrophobicContact CD-CG2 4.46Å; K151-N163 WeakPolarHBondContact CE-OD1 3.35Å; K151-N163 PolarHBondContact NZ-OD1 3.12Å; K151-M166 HydrophobicContact CD-CE 4.38Å; K151-M166 HydrophobicContact CG-CE 3.95Å
152	D	94.7	Very high	92.3	Very high	81 Å²	81	62.1 Å²	62.1	43%	0.433	30%	0.302	S	S	.	.	H	α-helix	trans	-53.7	-46.2	-169.4	-58.2	-73.3	0	0	0	112.4	F154 I155 H156 Y422	D152-F154 VanDerWaalsContact C-N 3.29Å; D152-F154 PolarHBondContact O-N 3.3Å; D152-I155 PolarHBondContact O-N 2.88Å; D152-H156 PolarHBondContact O-CD2 2.86Å; D152-Y422 HydrophobicContact CB-CD1 4Å; D152-Y422 HydrophobicContact CB-CD2 4.34Å; D152-Y422 HydrophobicContact CB-CE1 3.71Å; D152-Y422 HydrophobicContact CB-CE2 4.12Å; D152-Y422 HydrophobicContact CB-CG 4.3Å
153	L	93	Very high	92	Very high	10 Å²	10	65.8 Å²	65.8	5%	0.052	32%	0.321	C	S	.	.	H	α-helix	trans	-55.4	-42.6	177.1	179.8	65.1	0	0	0	113	K151 F381 I418 M421 Y422	K151-L153 VanDerWaalsContact C-N 3.31Å; K151-L153 PolarHBondContact O-N 2.63Å; L153-F381 HydrophobicContact CD2-CE2 4.42Å; L153-I418 HydrophobicContact CB-CG2 4.12Å; L153-I418 HydrophobicContact CD2-CG2 4.22Å; L153-M421 HydrophobicContact CD2-CB 3.88Å; L153-M421 HydrophobicContact CD2-CE 3.84Å; L153-M421 HydrophobicContact CD2-SD 4.26Å; L153-Y422 HydrophobicContact CB-CD2 4.28Å; L153-Y422 HydrophobicContact CD1-CD2 4.39Å
154	F	91.8	Very high	91.7	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-81.1	-28.2	-172.8	-57	-84.1	0	0	0	112.4	K151 D152 H156 I157 D158 T162 I165 M166 F381 L404 I418	K151-F154 PolarHBondContact O-N 2.81Å; D152-F154 VanDerWaalsContact C-N 3.29Å; D152-F154 PolarHBondContact O-N 3.3Å; F154-H156 PolarHBondContact O-N 3.41Å; F154-I157 HydrophobicContact CD1-CD1 4.37Å; F154-I157 WeakPolarHBondContact O-CB 3.48Å; F154-I157 PolarHBondContact O-N 3.06Å; F154-D158 PolarHBondContact O-N 3.48Å; F154-T162 HydrophobicContact CB-CG2 3.8Å; F154-I165 HydrophobicContact CD1-CG2 4.1Å; F154-M166 HydrophobicContact CD1-CB 3.88Å; F154-M166 HydrophobicContact CD2-CB 4.02Å; F154-M166 HydrophobicContact CD2-CG 4.12Å; F154-M166 HydrophobicContact CD2-SD 3.93Å; F154-M166 HydrophobicContact CE1-CB 3.9Å; F154-M166 HydrophobicContact CE1-CG 4.13Å; F154-M166 HydrophobicContact CE2-CB 4.07Å; F154-M166 HydrophobicContact CE2-CG 3.73Å; F154-M166 HydrophobicContact CE2-SD 3.64Å; F154-M166 HydrophobicContact CG-CB 3.93Å; F154-M166 HydrophobicContact CZ-CB 4.01Å; F154-M166 HydrophobicContact CZ-CG 3.73Å; F154-M166 HydrophobicContact CZ-SD 4.24Å; F154-F381 HydrophobicContact CD1-CZ 4.18Å; F154-F381 HydrophobicContact CE1-CE2 4.42Å; F154-F381 AromaticContact CE1-CZ 3.83Å; F154-F381 HydrophobicContact CE1-CZ 3.83Å; F154-L404 HydrophobicContact CE1-CD1 4.1Å; F154-L404 HydrophobicContact CZ-CD1 3.93Å; F154-I418 HydrophobicContact CE2-CD1 4.27Å; F154-I418 HydrophobicContact CE2-CG1 4.49Å; F154-I418 HydrophobicContact CE2-CG2 4.22Å
155	I	91.2	Very high	91.4	Very high	68 Å²	68	59.8 Å²	59.8	35%	0.349	30%	0.295	S	S	.	.	H	α-helix	trans	-59.7	-38.5	173.5	-67.5	168.3	0	0	0	110.5	K151 D152 I157 E159 T162	K151-I155 HydrophobicContact CB-CD1 4.15Å; K151-I155 HydrophobicContact CB-CG1 4.4Å; K151-I155 WeakPolarHBondContact O-CG1 2.96Å; K151-I155 PolarHBondContact O-N 3.49Å; K151-I155 VanDerWaalsContact O-N 3.07Å; D152-I155 PolarHBondContact O-N 2.88Å; I155-I157 PolarHBondContact O-N 3.3Å; I155-E159 HydrophobicContact CG2-CG 4.38Å; I155-E159 PolarHBondContact O-N 3.04Å; I155-T162 HydrophobicContact CG1-CG2 3.76Å
156	H	88.7	Confident	91.2	Very high	100 Å²	100	59.1 Å²	59.1	46%	0.463	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-14.1	177	-73.9	-73.8	0	0	0	113.9	D152 F154 Y422 Y425	D152-H156 PolarHBondContact O-CD2 2.86Å; F154-H156 PolarHBondContact O-N 3.41Å; H156-Y422 AromaticContact CD2-CE2 3.52Å; H156-Y422 AromaticContact NE2-CE2 3.87Å; H156-Y422 PolarHBondContact NE2-OH 3.11Å; H156-Y425 HydrophobicContact CB-CE1 4Å; H156-Y425 AromaticContact CG-CE1 3.79Å
157	I	86.7	Confident	91.1	Very high	71 Å²	71	59.1 Å²	59.1	36%	0.364	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-56.1	174.3	-57.7	174.9	0	0	0	109.5	F154 I155 I165 F381	F154-I157 HydrophobicContact CD1-CD1 4.37Å; F154-I157 WeakPolarHBondContact O-CB 3.48Å; F154-I157 PolarHBondContact O-N 3.06Å; I155-I157 PolarHBondContact O-N 3.3Å; I157-I165 HydrophobicContact CB-CD1 4.4Å; I157-I165 HydrophobicContact CD1-CG2 4.22Å; I157-I165 HydrophobicContact CG2-CD1 3.85Å; I157-I165 HydrophobicContact CG2-CG2 4.41Å; I157-F381 HydrophobicContact CD1-CD1 4.28Å; I157-F381 HydrophobicContact CD1-CD2 4.15Å; I157-F381 HydrophobicContact CD1-CE1 3.9Å; I157-F381 HydrophobicContact CD1-CE2 3.78Å; I157-F381 HydrophobicContact CD1-CG 4.4Å; I157-F381 HydrophobicContact CD1-CZ 3.64Å
158	D	85.7	Confident	90.9	Very high	39 Å²	39	53.8 Å²	53.8	21%	0.209	26%	0.263	C	S	.	.			trans	-157	113.3	176.4	-163.6	-37.9	0	0	0	109	F154 L160 D161 T162 I165 R230	F154-D158 PolarHBondContact O-N 3.48Å; D158-L160 VanDerWaalsContact C-N 3.28Å; D158-L160 PolarHBondContact O-N 3.5Å; D158-L160 PolarHBondContact OD1-N 2.91Å; D158-D161 HydrophobicContact CB-CB 4.39Å; D158-D161 PolarHBondContact OD1-N 2.9Å; D158-T162 WeakPolarHBondContact O-CA 3.41Å; D158-T162 PolarHBondContact O-N 2.95Å; D158-T162 VanDerWaalsContact O-N 3.09Å; D158-T162 PolarHBondContact O-OG1 3.03Å; D158-I165 HydrophobicContact CB-CD1 3.4Å; D158-I165 VanDerWaalsContact CB-CD1 3.4Å; D158-R230 IonicContact OD2-CZ 3.11Å; D158-R230 IonicContact OD2-NH2 3.02Å; D158-R230 PolarHBondContact OD2-NH2 3.26Å
159	E	86.7	Confident	90.8	Very high	156 Å²	156	47.8 Å²	47.8	73%	0.729	24%	0.24	S	C	*	.	S	Bend	trans	-64.5	-33.8	-178.8	-173.3	177.5	-176	0	0	111.9	I155 T162	I155-E159 HydrophobicContact CG2-CG 4.38Å; I155-E159 PolarHBondContact O-N 3.04Å; E159-T162 PolarHBondContact O-OG1 2.86Å
160	L	87.2	Confident	90.7	Very high	161 Å²	161	47.4 Å²	47.4	84%	0.843	24%	0.238	S	C	*	.	S	Bend	trans	-76.3	-36.9	-176.2	-62.8	175.8	0	0	0	111.8	D158	D158-L160 VanDerWaalsContact C-N 3.28Å; D158-L160 PolarHBondContact O-N 3.5Å; D158-L160 PolarHBondContact OD1-N 2.91Å
161	D	86.5	Confident	90.6	Very high	15 Å²	15	46.1 Å²	46.1	8%	0.08	23%	0.23	C	C	.	.	S	Bend	trans	-106.9	15.8	-173.9	-69.1	-27.8	0	0	0	113.3	D158 N163 E164 I165 R230 Y273	D158-D161 HydrophobicContact CB-CB 4.39Å; D158-D161 PolarHBondContact OD1-N 2.9Å; D161-N163 VanDerWaalsContact C-N 3.33Å; D161-N163 PolarHBondContact O-N 3.19Å; D161-N163 VanDerWaalsContact O-N 3.14Å; D161-E164 PolarHBondContact O-N 3.42Å; D161-I165 HydrophobicContact CB-CD1 4.19Å; D161-I165 HydrophobicContact CB-CG1 4.18Å; D161-I165 WeakPolarHBondContact O-CG1 3.48Å; D161-I165 PolarHBondContact O-N 3.03Å; D161-R230 IonicContact OD2-CZ 3.97Å; D161-R230 IonicContact OD2-NH1 2.7Å; D161-R230 PolarHBondContact OD2-NH1 2.81Å; D161-R230 IonicContact OD2-NH2 3.1Å; D161-R230 PolarHBondContact OD2-NH2 3.14Å; D161-Y273 WeakPolarHBondContact OD1-CE1 3.22Å; D161-Y273 VanDerWaalsContact OD1-CZ 3.22Å; D161-Y273 PolarHBondContact OD1-OH 3.3Å
162	T	90.1	Very high	90.4	Very high	12 Å²	12	42.8 Å²	42.8	7%	0.074	22%	0.216	C	C	.	.	H	α-helix	trans	-47.1	-49	-172.9	-65	0	0	0	0	113.6	K151 F154 I155 D158 E159 M166	K151-T162 HydrophobicContact CB-CG2 4.17Å; K151-T162 HydrophobicContact CD-CG2 4.46Å; F154-T162 HydrophobicContact CB-CG2 3.8Å; I155-T162 HydrophobicContact CG1-CG2 3.76Å; D158-T162 WeakPolarHBondContact O-CA 3.41Å; D158-T162 PolarHBondContact O-N 2.95Å; D158-T162 VanDerWaalsContact O-N 3.09Å; D158-T162 PolarHBondContact O-OG1 3.03Å; E159-T162 PolarHBondContact O-OG1 2.86Å; T162-M166 WeakPolarHBondContact O-CB 3.48Å; T162-M166 PolarHBondContact O-N 3.05Å
163	N	90.2	Very high	90.3	Very high	77 Å²	77	39.1 Å²	39.1	41%	0.412	20%	0.196	S	C	.	.	H	α-helix	trans	-66.8	-41.9	-178	-70.5	-31.7	0	0	0	112.1	K151 D161 M166 I167	K151-N163 WeakPolarHBondContact CE-OD1 3.35Å; K151-N163 PolarHBondContact NZ-OD1 3.12Å; D161-N163 VanDerWaalsContact C-N 3.33Å; D161-N163 PolarHBondContact O-N 3.19Å; D161-N163 VanDerWaalsContact O-N 3.14Å; N163-M166 PolarHBondContact O-N 3.03Å; N163-I167 WeakPolarHBondContact O-CD1 3.47Å; N163-I167 VanDerWaalsContact O-CG1 3.27Å; N163-I167 WeakPolarHBondContact O-CG1 3.49Å; N163-I167 PolarHBondContact O-N 3.32Å
164	E	88.8	Confident	90.4	Very high	62 Å²	62	38.9 Å²	38.9	29%	0.29	20%	0.195	S	C	.	.	H	α-helix	trans	-69.9	-42.5	-179.7	-73.1	-56.7	138.7	0	0	110.8	D161 M166 I167 Q168	D161-E164 PolarHBondContact O-N 3.42Å; E164-M166 VanDerWaalsContact C-N 3.29Å; E164-M166 PolarHBondContact O-N 3.32Å; E164-I167 PolarHBondContact O-N 2.83Å; E164-Q168 WeakPolarHBondContact O-CB 3.47Å; E164-Q168 VanDerWaalsContact O-CG 3.26Å; E164-Q168 WeakPolarHBondContact O-CG 3.46Å; E164-Q168 PolarHBondContact O-N 2.74Å
165	I	89.5	Confident	90.4	Very high	6 Å²	6	39.4 Å²	39.4	3%	0.031	20%	0.198	C	C	.	.	H	α-helix	trans	-58.2	-45	174.2	-65.8	178	0	0	0	110.2	F154 I157 D158 D161 S169 F381	F154-I165 HydrophobicContact CD1-CG2 4.1Å; I157-I165 HydrophobicContact CB-CD1 4.4Å; I157-I165 HydrophobicContact CD1-CG2 4.22Å; I157-I165 HydrophobicContact CG2-CD1 3.85Å; I157-I165 HydrophobicContact CG2-CG2 4.41Å; D158-I165 HydrophobicContact CB-CD1 3.4Å; D158-I165 VanDerWaalsContact CB-CD1 3.4Å; D161-I165 HydrophobicContact CB-CD1 4.19Å; D161-I165 HydrophobicContact CB-CG1 4.18Å; D161-I165 WeakPolarHBondContact O-CG1 3.48Å; D161-I165 PolarHBondContact O-N 3.03Å; I165-S169 WeakPolarHBondContact O-CB 3.36Å; I165-S169 PolarHBondContact O-N 3.42Å; I165-S169 PolarHBondContact O-OG 3.49Å; I165-F381 HydrophobicContact CG2-CE1 4.41Å
166	M	92.6	Very high	90.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.6	-48.4	177.4	177.3	166.2	45.3	0	0	112.1	S146 L149 K151 F154 T162 N163 E164 S169 L170	S146-M166 VanDerWaalsContact O-CE 3.25Å; S146-M166 WeakPolarHBondContact O-CE 3.46Å; L149-M166 HydrophobicContact CB-SD 3.89Å; L149-M166 HydrophobicContact CD1-SD 4.44Å; K151-M166 HydrophobicContact CD-CE 4.38Å; K151-M166 HydrophobicContact CG-CE 3.95Å; F154-M166 HydrophobicContact CD1-CB 3.88Å; F154-M166 HydrophobicContact CD2-CB 4.02Å; F154-M166 HydrophobicContact CD2-CG 4.12Å; F154-M166 HydrophobicContact CD2-SD 3.93Å; F154-M166 HydrophobicContact CE1-CB 3.9Å; F154-M166 HydrophobicContact CE1-CG 4.13Å; F154-M166 HydrophobicContact CE2-CB 4.07Å; F154-M166 HydrophobicContact CE2-CG 3.73Å; F154-M166 HydrophobicContact CE2-SD 3.64Å; F154-M166 HydrophobicContact CG-CB 3.93Å; F154-M166 HydrophobicContact CZ-CB 4.01Å; F154-M166 HydrophobicContact CZ-CG 3.73Å; F154-M166 HydrophobicContact CZ-SD 4.24Å; T162-M166 WeakPolarHBondContact O-CB 3.48Å; T162-M166 PolarHBondContact O-N 3.05Å; N163-M166 PolarHBondContact O-N 3.03Å; E164-M166 VanDerWaalsContact C-N 3.29Å; E164-M166 PolarHBondContact O-N 3.32Å; M166-S169 PolarHBondContact O-N 2.99Å; M166-L170 HydrophobicContact CG-CD1 4.04Å; M166-L170 VanDerWaalsContact O-CG 3.3Å; M166-L170 WeakPolarHBondContact O-CG 3.49Å; M166-L170 PolarHBondContact O-N 2.89Å
167	I	92.9	Very high	90	Very high	10 Å²	10	36 Å²	36	5%	0.051	18%	0.18	C	C	.	.	H	α-helix	trans	-59.8	-49.9	179.4	-71.7	163.4	0	0	0	110.7	A142 R143 N163 E164 S169 L170 I171	A142-I167 HydrophobicContact CB-CG2 4.05Å; R143-I167 HydrophobicContact CG-CD1 3.78Å; R143-I167 HydrophobicContact CG-CG1 4.35Å; N163-I167 WeakPolarHBondContact O-CD1 3.47Å; N163-I167 VanDerWaalsContact O-CG1 3.27Å; N163-I167 WeakPolarHBondContact O-CG1 3.49Å; N163-I167 PolarHBondContact O-N 3.32Å; E164-I167 PolarHBondContact O-N 2.83Å; I167-S169 PolarHBondContact O-N 3.19Å; I167-L170 PolarHBondContact O-N 3.35Å; I167-I171 HydrophobicContact CG2-CD1 3.69Å; I167-I171 WeakPolarHBondContact O-CD1 3.46Å; I167-I171 VanDerWaalsContact O-CG1 3.28Å; I167-I171 WeakPolarHBondContact O-CG1 3.47Å; I167-I171 PolarHBondContact O-N 3.17Å
168	Q	90.5	Very high	90.1	Very high	21 Å²	21	39.4 Å²	39.4	10%	0.098	19%	0.189	C	C	.	.	H	α-helix	trans	-62.7	-43.5	178.6	-64.1	-61.6	-21.7	0	0	110.7	E164 L170 I171 H172 Y231	E164-Q168 WeakPolarHBondContact O-CB 3.47Å; E164-Q168 VanDerWaalsContact O-CG 3.26Å; E164-Q168 WeakPolarHBondContact O-CG 3.46Å; E164-Q168 PolarHBondContact O-N 2.74Å; Q168-L170 VanDerWaalsContact C-N 3.29Å; Q168-L170 PolarHBondContact O-N 3.08Å; Q168-I171 PolarHBondContact O-N 2.9Å; Q168-I171 VanDerWaalsContact O-N 3.14Å; Q168-H172 WeakPolarHBondContact O-CB 3.3Å; Q168-H172 PolarHBondContact O-CD2 2.99Å; Q168-H172 PolarHBondContact O-N 2.86Å; Q168-H172 PolarHBondContact OE1-NE2 3.31Å; Q168-Y231 HydrophobicContact CB-CD1 4Å; Q168-Y231 HydrophobicContact CB-CE1 4.15Å; Q168-Y231 HydrophobicContact CG-CE1 4.43Å
169	S	92.5	Very high	90.3	Very high	1 Å²	1	41 Å²	41	1%	0.007	20%	0.195	C	C	.	.	H	α-helix	trans	-60.2	-39.5	179	-57.2	0	0	0	0	112.5	I165 M166 I167 S173 F381	I165-S169 WeakPolarHBondContact O-CB 3.36Å; I165-S169 PolarHBondContact O-N 3.42Å; I165-S169 PolarHBondContact O-OG 3.49Å; M166-S169 PolarHBondContact O-N 2.99Å; I167-S169 PolarHBondContact O-N 3.19Å; S169-S173 WeakPolarHBondContact O-CB 3.35Å; S169-S173 PolarHBondContact O-N 2.9Å; S169-S173 PolarHBondContact O-OG 3.31Å; S169-F381 WeakPolarHBondContact OG-CE1 3.29Å; S169-F381 WeakPolarHBondContact OG-CZ 3.34Å
170	L	95.3	Very high	90.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63.8	-49.2	174	-72.4	164.4	0	0	0	111.3	A142 L149 M166 I167 Q168 S173 T174 L404 M406	A142-L170 HydrophobicContact CB-CB 4.09Å; A142-L170 HydrophobicContact CB-CD1 4.31Å; L149-L170 HydrophobicContact CD1-CD1 3.88Å; L149-L170 HydrophobicContact CD1-CD2 4.04Å; M166-L170 HydrophobicContact CG-CD1 4.04Å; M166-L170 VanDerWaalsContact O-CG 3.3Å; M166-L170 WeakPolarHBondContact O-CG 3.49Å; M166-L170 PolarHBondContact O-N 2.89Å; I167-L170 PolarHBondContact O-N 3.35Å; Q168-L170 VanDerWaalsContact C-N 3.29Å; Q168-L170 PolarHBondContact O-N 3.08Å; L170-S173 PolarHBondContact O-N 2.95Å; L170-T174 WeakPolarHBondContact O-CB 3.37Å; L170-T174 PolarHBondContact O-N 3.16Å; L170-T174 PolarHBondContact O-OG1 3.46Å; L170-L404 HydrophobicContact CD2-CB 4.18Å; L170-M406 HydrophobicContact CB-CE 4.07Å; L170-M406 HydrophobicContact CB-CG 4.21Å; L170-M406 HydrophobicContact CB-SD 3.78Å; L170-M406 HydrophobicContact CD2-CG 3.86Å; L170-M406 HydrophobicContact CD2-SD 4.21Å; L170-M406 HydrophobicContact CG-SD 4.39Å
171	I	93.4	Very high	90.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.1	-56.3	-179.8	-63.7	161.7	0	0	0	110.2	W135 V139 A142 I167 Q168 S173 T174 I175	W135-I171 HydrophobicContact CE3-CG2 4.1Å; W135-I171 HydrophobicContact CH2-CG2 3.69Å; W135-I171 HydrophobicContact CZ2-CG2 4.48Å; W135-I171 HydrophobicContact CZ3-CG2 3.46Å; W135-I171 VanDerWaalsContact CZ3-CG2 3.46Å; V139-I171 HydrophobicContact CB-CD1 4.34Å; V139-I171 HydrophobicContact CG2-CD1 3.64Å; A142-I171 HydrophobicContact CB-CD1 4.3Å; A142-I171 HydrophobicContact CB-CG1 3.81Å; I167-I171 HydrophobicContact CG2-CD1 3.69Å; I167-I171 WeakPolarHBondContact O-CD1 3.46Å; I167-I171 VanDerWaalsContact O-CG1 3.28Å; I167-I171 WeakPolarHBondContact O-CG1 3.47Å; I167-I171 PolarHBondContact O-N 3.17Å; Q168-I171 PolarHBondContact O-N 2.9Å; Q168-I171 VanDerWaalsContact O-N 3.14Å; I171-S173 PolarHBondContact O-N 3.45Å; I171-T174 PolarHBondContact O-N 3.2Å; I171-I175 HydrophobicContact CG2-CG2 3.89Å; I171-I175 WeakPolarHBondContact O-CG2 3.49Å; I171-I175 PolarHBondContact O-N 2.99Å
172	H	91.2	Very high	90.2	Very high	9 Å²	9	30.1 Å²	30.1	4%	0.042	14%	0.142	C	C	.	.	H	α-helix	trans	-63	-25.2	-177.3	-75.7	-98.8	0	0	0	113.2	Y124 Q168 T174 Y231	Y124-H172 AromaticContact CE2-CE1 3.25Å; Y124-H172 WeakPolarHBondContact CE2-CE1 3.48Å; Y124-H172 AromaticContact CE2-ND1 3.31Å; Y124-H172 VanDerWaalsContact CE2-ND1 3.31Å; Y124-H172 WeakPolarHBondContact CE2-ND1 3.25Å; Y124-H172 AromaticContact CZ-CE1 3.92Å; Y124-H172 AromaticContact CZ-ND1 3.62Å; Y124-H172 PolarHBondContact OH-ND1 2.77Å; Q168-H172 WeakPolarHBondContact O-CB 3.3Å; Q168-H172 PolarHBondContact O-CD2 2.99Å; Q168-H172 PolarHBondContact O-N 2.86Å; Q168-H172 PolarHBondContact OE1-NE2 3.31Å; H172-T174 VanDerWaalsContact C-N 3.33Å; H172-Y231 AromaticContact CE1-CD2 3.67Å; H172-Y231 AromaticContact CE1-CE2 3.59Å; H172-Y231 AromaticContact ND1-CD2 3.76Å; H172-Y231 AromaticContact NE2-CD2 3.94Å; H172-Y231 AromaticContact NE2-CE2 3.81Å
173	S	92.8	Very high	89.9	Confident	4 Å²	4	30.7 Å²	30.7	3%	0.028	15%	0.151	C	C	.	.	H	α-helix	trans	-79.9	-16.1	173.5	-61.5	0	0	0	0	114	S169 L170 I171 P380 L404 N405	S169-S173 WeakPolarHBondContact O-CB 3.35Å; S169-S173 PolarHBondContact O-N 2.9Å; S169-S173 PolarHBondContact O-OG 3.31Å; L170-S173 PolarHBondContact O-N 2.95Å; I171-S173 PolarHBondContact O-N 3.45Å; S173-P380 VanDerWaalsContact OG-CB 3.27Å; S173-P380 WeakPolarHBondContact OG-CB 3.31Å; S173-L404 WeakPolarHBondContact CB-O 3.48Å; S173-N405 WeakPolarHBondContact O-CB 3.14Å; S173-N405 PolarHBondContact O-ND2 3.23Å
174	T	94	Very high	89.9	Confident	4 Å²	4	29.6 Å²	29.6	3%	0.025	15%	0.145	C	C	.	.	H	α-helix	trans	-106.6	-38.1	-170.6	-56	0	0	0	0	112.8	Y138 L170 I171 H172 M406 S407	Y138-T174 HydrophobicContact CD1-CG2 4.05Å; Y138-T174 HydrophobicContact CE1-CG2 3.62Å; L170-T174 WeakPolarHBondContact O-CB 3.37Å; L170-T174 PolarHBondContact O-N 3.16Å; L170-T174 PolarHBondContact O-OG1 3.46Å; I171-T174 PolarHBondContact O-N 3.2Å; H172-T174 VanDerWaalsContact C-N 3.33Å; T174-M406 HydrophobicContact CG2-CB 3.97Å; T174-M406 HydrophobicContact CG2-CE 4.2Å; T174-M406 WeakPolarHBondContact OG1-CB 3.44Å; T174-M406 WeakPolarHBondContact OG1-CE 3.44Å; T174-M406 WeakPolarHBondContact OG1-CG 3.17Å; T174-M406 PolarHBondContact OG1-N 2.96Å; T174-S407 WeakPolarHBondContact CG2-OG 3.42Å
175	I	91.5	Very high	90	Very high	12 Å²	12	26.9 Å²	26.9	6%	0.062	13%	0.133	C	C	.	.			trans	-56.5	140.9	-176.4	56.5	175.5	0	0	0	112.5	Y124 Y138 I171 F180	Y124-I175 HydrophobicContact CD1-CD1 4.35Å; Y124-I175 HydrophobicContact CD2-CD1 3.73Å; Y124-I175 HydrophobicContact CE1-CD1 3.84Å; Y124-I175 HydrophobicContact CE2-CD1 3.09Å; Y124-I175 HydrophobicContact CG-CD1 4.32Å; Y124-I175 WeakPolarHBondContact OH-CD1 3.13Å; Y138-I175 HydrophobicContact CD2-CG2 4Å; Y138-I175 HydrophobicContact CE2-CG2 4.12Å; Y138-I175 HydrophobicContact CG-CG2 4.44Å; I171-I175 HydrophobicContact CG2-CG2 3.89Å; I171-I175 WeakPolarHBondContact O-CG2 3.49Å; I171-I175 PolarHBondContact O-N 2.99Å; I175-F180 HydrophobicContact CB-CD2 3.8Å; I175-F180 HydrophobicContact CB-CE2 3.7Å; I175-F180 HydrophobicContact CG2-CD2 4.05Å; I175-F180 HydrophobicContact CG2-CE2 3.47Å; I175-F180 VanDerWaalsContact CG2-CE2 3.47Å; I175-F180 HydrophobicContact CG2-CZ 4.01Å
176	S	88.3	Confident	89.9	Confident	22 Å²	22	33 Å²	33	15%	0.154	16%	0.161	C	C	.	.			trans	-88.5	138.5	179	-51.3	0	0	0	0	111.5	W178 Q179 F180	S176-W178 VanDerWaalsContact C-N 3.29Å; S176-W178 PolarHBondContact O-N 3.39Å; S176-Q179 PolarHBondContact O-N 2.81Å; S176-Q179 PolarHBondContact OG-OE1 3.37Å; S176-F180 PolarHBondContact O-N 2.81Å
177	Y	84.4	Confident	89.7	Confident	74 Å²	74	34.4 Å²	34.4	29%	0.29	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-39.3	-178	77.4	-102.1	0	0	0	113.5	N181 I182 D348 I350	Y177-N181 PolarHBondContact O-N 3.21Å; Y177-I182 PolarHBondContact O-N 3.24Å; Y177-D348 HydrophobicContact CD1-CB 4.25Å; Y177-D348 WeakPolarHBondContact CD1-O 3.25Å; Y177-D348 HydrophobicContact CD2-CB 4.24Å; Y177-D348 HydrophobicContact CG-CB 4.13Å; Y177-I350 HydrophobicContact CE1-CD1 3.78Å
178	W	87	Confident	89.6	Confident	143 Å²	143	34.1 Å²	34.1	54%	0.542	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-34.2	-176.8	60.6	91.3	0	0	0	113.1	S176 F180 N181	S176-W178 VanDerWaalsContact C-N 3.29Å; S176-W178 PolarHBondContact O-N 3.39Å; W178-F180 VanDerWaalsContact C-N 3.29Å; W178-F180 PolarHBondContact O-N 3.36Å; W178-N181 PolarHBondContact O-N 2.88Å; W178-N181 PolarHBondContact O-OD1 2.82Å
179	Q	90	Very high	89.7	Confident	71 Å²	71	33.3 Å²	33.3	33%	0.332	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-33.8	-178.3	-68.6	177.5	-64.7	0	0	111.7	K131 L134 S176	K131-Q179 WeakPolarHBondContact CE-O 3.32Å; L134-Q179 HydrophobicContact CD2-CB 3.98Å; L134-Q179 HydrophobicContact CD2-CG 4.47Å; S176-Q179 PolarHBondContact O-N 2.81Å; S176-Q179 PolarHBondContact OG-OE1 3.37Å
180	F	88.8	Confident	89.5	Confident	1 Å²	1	35.9 Å²	35.9	0%	0.004	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	4.1	-179.5	-71.1	-83.2	0	0	0	114.1	Y124 V126 K131 L134 W135 Y138 I175 S176 W178 I182	Y124-F180 HydrophobicContact CD1-CB 4.47Å; V126-F180 HydrophobicContact CG1-CD1 4.16Å; V126-F180 HydrophobicContact CG1-CE1 4.05Å; K131-F180 HydrophobicContact CB-CE1 4.5Å; K131-F180 PolarHBondContact NZ-O 3.21Å; L134-F180 HydrophobicContact CD2-CE2 3.92Å; L134-F180 HydrophobicContact CD2-CZ 3.88Å; L134-F180 HydrophobicContact CG-CE2 4.35Å; L134-F180 HydrophobicContact CG-CZ 3.98Å; W135-F180 HydrophobicContact CB-CE1 4.37Å; W135-F180 HydrophobicContact CE3-CE1 4.2Å; W135-F180 HydrophobicContact CE3-CZ 4.39Å; Y138-F180 HydrophobicContact CD2-CE2 4.27Å; Y138-F180 HydrophobicContact CD2-CZ 4.13Å; Y138-F180 AromaticContact CE2-CE2 3.91Å; Y138-F180 HydrophobicContact CE2-CE2 3.91Å; Y138-F180 HydrophobicContact CE2-CZ 4.15Å; I175-F180 HydrophobicContact CB-CD2 3.8Å; I175-F180 HydrophobicContact CB-CE2 3.7Å; I175-F180 HydrophobicContact CG2-CD2 4.05Å; I175-F180 HydrophobicContact CG2-CE2 3.47Å; I175-F180 VanDerWaalsContact CG2-CE2 3.47Å; I175-F180 HydrophobicContact CG2-CZ 4.01Å; S176-F180 PolarHBondContact O-N 2.81Å; W178-F180 VanDerWaalsContact C-N 3.29Å; W178-F180 PolarHBondContact O-N 3.36Å; F180-I182 VanDerWaalsContact C-N 3.3Å; F180-I182 HydrophobicContact CB-CG1 4.22Å; F180-I182 PolarHBondContact O-N 3.47Å
181	N	86.2	Confident	89.2	Confident	70 Å²	70	37.1 Å²	37.1	37%	0.374	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	40.1	-173.2	-63.5	-14.6	0	0	0	113.4	K131 Y177 W178 G183 N184	K131-N181 PolarHBondContact NZ-ND2 3.09Å; Y177-N181 PolarHBondContact O-N 3.21Å; W178-N181 PolarHBondContact O-N 2.88Å; W178-N181 PolarHBondContact O-OD1 2.82Å; N181-G183 PolarHBondContact O-N 2.86Å; N181-G183 VanDerWaalsContact O-N 3.17Å; N181-N184 HydrophobicContact CB-CB 3.99Å; N181-N184 WeakPolarHBondContact O-CB 3.43Å; N181-N184 PolarHBondContact O-N 3.5Å
182	I	84.2	Confident	89.1	Confident	33 Å²	33	37.1 Å²	37.1	17%	0.169	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	125.1	178.2	-57.6	-174.1	0	0	0	109	Y124 Y177 F180 P234	Y124-I182 HydrophobicContact CD1-CD1 4.03Å; Y124-I182 HydrophobicContact CD1-CG1 3.8Å; Y124-I182 HydrophobicContact CE1-CD1 3.48Å; Y124-I182 VanDerWaalsContact CE1-CD1 3.48Å; Y124-I182 HydrophobicContact CE1-CG1 3.73Å; Y177-I182 PolarHBondContact O-N 3.24Å; F180-I182 VanDerWaalsContact C-N 3.3Å; F180-I182 HydrophobicContact CB-CG1 4.22Å; F180-I182 PolarHBondContact O-N 3.47Å; I182-P234 HydrophobicContact CG2-CB 3.83Å; I182-P234 HydrophobicContact CG2-CG 4.26Å
183	G	83.4	Confident	89.1	Confident	25 Å²	25	36.8 Å²	36.8	26%	0.258	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	85	6.9	-178.9	0	0	0	0	0	116.1	N181 V185	N181-G183 PolarHBondContact O-N 2.86Å; N181-G183 VanDerWaalsContact O-N 3.17Å; G183-V185 PolarHBondContact O-N 3.17Å
184	N	90.1	Very high	89	Confident	53 Å²	53	37 Å²	37	28%	0.283	18%	0.18	S	C	.	.			trans	-70.7	112	167	-172.8	-3.7	0	0	0	110.8	N181 E186 D187 F236	N181-N184 HydrophobicContact CB-CB 3.99Å; N181-N184 WeakPolarHBondContact O-CB 3.43Å; N181-N184 PolarHBondContact O-N 3.5Å; N184-E186 PolarHBondContact O-N 2.87Å; N184-E186 WeakPolarHBondContact OD1-CB 3.28Å; N184-E186 PolarHBondContact OD1-N 3.19Å; N184-D187 WeakPolarHBondContact O-CB 3.49Å; N184-D187 PolarHBondContact O-N 3.2Å; N184-D187 VanDerWaalsContact O-N 3.16Å; N184-F236 WeakPolarHBondContact O-CE1 3.42Å; N184-F236 WeakPolarHBondContact O-CZ 3.46Å
185	V	91.3	Very high	88.7	Confident	6 Å²	6	37 Å²	37	4%	0.036	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-59.8	-31.3	-179	-179.2	0	0	0	0	111.7	G183 D187 M188 F189 L218 F222 F236	G183-V185 PolarHBondContact O-N 3.17Å; V185-D187 PolarHBondContact O-N 3.44Å; V185-M188 PolarHBondContact O-N 3.29Å; V185-F189 HydrophobicContact CG1-CB 4.36Å; V185-F189 HydrophobicContact CG1-CD2 3.49Å; V185-F189 VanDerWaalsContact CG1-CD2 3.49Å; V185-F189 HydrophobicContact CG1-CE2 4.15Å; V185-F189 HydrophobicContact CG1-CG 4.3Å; V185-F189 WeakPolarHBondContact O-CD2 3.39Å; V185-F189 PolarHBondContact O-N 3.08Å; V185-L218 HydrophobicContact CG1-CB 3.98Å; V185-L218 HydrophobicContact CG1-CD1 4.47Å; V185-F222 HydrophobicContact CB-CD2 4.26Å; V185-F222 HydrophobicContact CG1-CD2 3.59Å; V185-F222 HydrophobicContact CG1-CE2 3.41Å; V185-F222 VanDerWaalsContact CG1-CE2 3.41Å; V185-F222 HydrophobicContact CG1-CG 4.31Å; V185-F222 HydrophobicContact CG1-CZ 3.99Å; V185-F222 HydrophobicContact CG2-CB 3.73Å; V185-F222 HydrophobicContact CG2-CD1 4.49Å; V185-F222 HydrophobicContact CG2-CD2 3.55Å; V185-F222 HydrophobicContact CG2-CE2 4.24Å; V185-F222 HydrophobicContact CG2-CG 3.68Å; V185-F236 HydrophobicContact CG2-CD1 4.32Å; V185-F236 HydrophobicContact CG2-CE1 4.46Å
186	E	88.4	Confident	88.2	Confident	134 Å²	134	38.4 Å²	38.4	63%	0.626	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-68.1	-21.9	-179.1	-62.2	179.6	174.3	0	0	113.2	N184 M188 K260	N184-E186 PolarHBondContact O-N 2.87Å; N184-E186 WeakPolarHBondContact OD1-CB 3.28Å; N184-E186 PolarHBondContact OD1-N 3.19Å; E186-M188 VanDerWaalsContact C-N 3.28Å; E186-M188 PolarHBondContact O-N 2.98Å; E186-K260 PolarHBondContact O-NZ 2.96Å
187	D	87.4	Confident	87.3	Confident	30 Å²	30	39.4 Å²	39.4	16%	0.16	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-73.4	-22	176.7	-76.2	-37.7	0	0	0	111.9	N125 N184 V185 N262	N125-D187 PolarHBondContact ND2-OD1 3.21Å; N184-D187 WeakPolarHBondContact O-CB 3.49Å; N184-D187 PolarHBondContact O-N 3.2Å; N184-D187 VanDerWaalsContact O-N 3.16Å; V185-D187 PolarHBondContact O-N 3.44Å; D187-N262 PolarHBondContact O-ND2 3.43Å
188	M	90.8	Very high	86.4	Confident	4 Å²	4	42.6 Å²	42.6	2%	0.02	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-26.8	179.9	-167.7	165.1	76.6	0	0	114.2	L117 V185 E186 F236 K260	L117-M188 HydrophobicContact CB-CE 3.38Å; L117-M188 HydrophobicContact CB-SD 4.11Å; L117-M188 HydrophobicContact CG-CE 4.42Å; V185-M188 PolarHBondContact O-N 3.29Å; E186-M188 VanDerWaalsContact C-N 3.28Å; E186-M188 PolarHBondContact O-N 2.98Å; M188-F236 HydrophobicContact CB-CD2 4.28Å; M188-F236 HydrophobicContact CB-CE2 3.95Å; M188-F236 HydrophobicContact CB-CZ 4.28Å; M188-F236 HydrophobicContact CE-CB 3.45Å; M188-F236 VanDerWaalsContact CE-CB 3.45Å; M188-F236 HydrophobicContact CE-CD1 4.49Å; M188-F236 HydrophobicContact CE-CD2 3.13Å; M188-F236 HydrophobicContact CE-CE2 3.96Å; M188-F236 HydrophobicContact CE-CG 3.45Å; M188-F236 VanDerWaalsContact CE-CG 3.45Å; M188-F236 HydrophobicContact SD-CD2 3.52Å; M188-F236 VanDerWaalsContact SD-CD2 3.52Å; M188-F236 HydrophobicContact SD-CE2 3.85Å; M188-F236 HydrophobicContact SD-CG 4.4Å; M188-K260 PolarHBondContact O-N 3.12Å
189	F	92.3	Very high	84.8	Confident	4 Å²	4	44.8 Å²	44.8	2%	0.018	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	128.7	-177.1	-58	-83	0	0	0	111.2	L117 V185 I192 F222 F236 F257 G258 I259	L117-F189 HydrophobicContact CD1-CE1 3.94Å; L117-F189 HydrophobicContact CD1-CZ 3.77Å; V185-F189 HydrophobicContact CG1-CB 4.36Å; V185-F189 HydrophobicContact CG1-CD2 3.49Å; V185-F189 VanDerWaalsContact CG1-CD2 3.49Å; V185-F189 HydrophobicContact CG1-CE2 4.15Å; V185-F189 HydrophobicContact CG1-CG 4.3Å; V185-F189 WeakPolarHBondContact O-CD2 3.39Å; V185-F189 PolarHBondContact O-N 3.08Å; F189-I192 HydrophobicContact CB-CG1 4.49Å; F189-I192 HydrophobicContact CD1-CD1 4.42Å; F189-I192 HydrophobicContact CD1-CG1 4.43Å; F189-I192 HydrophobicContact CG-CD1 4.4Å; F189-F222 HydrophobicContact CD2-CE1 4.22Å; F189-F222 HydrophobicContact CD2-CE2 4.42Å; F189-F222 AromaticContact CD2-CZ 3.8Å; F189-F222 HydrophobicContact CD2-CZ 3.8Å; F189-F222 HydrophobicContact CE1-CZ 4.28Å; F189-F222 HydrophobicContact CE2-CD1 4.25Å; F189-F222 AromaticContact CE2-CE1 3.28Å; F189-F222 HydrophobicContact CE2-CE1 3.28Å; F189-F222 HydrophobicContact CE2-CE2 4.23Å; F189-F222 AromaticContact CE2-CZ 3.27Å; F189-F222 HydrophobicContact CE2-CZ 3.27Å; F189-F222 HydrophobicContact CG-CZ 4.45Å; F189-F222 AromaticContact CZ-CE1 3.49Å; F189-F222 HydrophobicContact CZ-CE1 3.49Å; F189-F222 VanDerWaalsContact CZ-CE1 3.49Å; F189-F222 AromaticContact CZ-CZ 3.53Å; F189-F222 HydrophobicContact CZ-CZ 3.53Å; F189-F236 HydrophobicContact CE2-CB 4.13Å; F189-F236 HydrophobicContact CE2-CG 4.34Å; F189-F257 HydrophobicContact CD1-CB 4.34Å; F189-F257 HydrophobicContact CD1-CD1 4.14Å; F189-F257 HydrophobicContact CE1-CB 4.33Å; F189-F257 AromaticContact CE1-CD1 3.78Å; F189-F257 HydrophobicContact CE1-CD1 3.78Å; F189-F257 HydrophobicContact CE1-CG 4.43Å; F189-G258 CarbonylContact C-O 3.53Å; F189-G258 WeakPolarHBondContact CA-O 3.31Å; F189-I259 HydrophobicContact CD1-CG1 4.48Å; F189-I259 HydrophobicContact CE1-CG1 4.47Å
190	Q	88	Confident	82.9	Confident	55 Å²	55	42.5 Å²	42.5	26%	0.257	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	-42.1	168	-176.3	62.2	21.6	0	0	110.8	G258 K260 F487 F541	Q190-G258 PolarHBondContact N-O 2.79Å; Q190-K260 HydrophobicContact CB-CG 4.43Å; Q190-F487 HydrophobicContact CG-CD1 4.43Å; Q190-F487 HydrophobicContact CG-CE1 4.31Å; Q190-F541 HydrophobicContact CB-CE2 4.35Å
191	F	88.8	Confident	80.9	Confident	25 Å²	25	48.8 Å²	48.8	11%	0.11	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	161.4	176.5	64.9	-96.6	0	0	0	111.3	A193 L207 M213 V256 G258 F487 F541 L543	F191-A193 HydrophobicContact CD2-CB 4.43Å; F191-L207 HydrophobicContact CZ-CD1 4.3Å; F191-M213 HydrophobicContact CB-CE 3.54Å; F191-M213 HydrophobicContact CB-SD 4.03Å; F191-M213 HydrophobicContact CD2-SD 4.39Å; F191-V256 HydrophobicContact CE2-CG1 4.16Å; F191-G258 PolarHBondContact O-N 3.35Å; F191-F487 HydrophobicContact CE1-CE1 4.24Å; F191-F487 HydrophobicContact CE1-CZ 4.38Å; F191-F541 HydrophobicContact CE1-CE2 4.36Å; F191-F541 HydrophobicContact CE1-CZ 4.04Å; F191-L543 HydrophobicContact CE1-CD2 4.35Å; F191-L543 HydrophobicContact CE2-CD2 4.35Å; F191-L543 HydrophobicContact CZ-CD2 3.63Å
192	I	92.6	Very high	78.6	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	125.9	168.1	-50.4	-179.8	0	0	0	107.5	F189 V214 L218 F222 F238 V256 F257	F189-I192 HydrophobicContact CB-CG1 4.49Å; F189-I192 HydrophobicContact CD1-CD1 4.42Å; F189-I192 HydrophobicContact CD1-CG1 4.43Å; F189-I192 HydrophobicContact CG-CD1 4.4Å; I192-V214 HydrophobicContact CB-CB 4.4Å; I192-V214 HydrophobicContact CB-CG2 4.11Å; I192-V214 HydrophobicContact CG2-CB 4.46Å; I192-V214 HydrophobicContact CG2-CG2 3.68Å; I192-V214 PolarHBondContact O-N 2.81Å; I192-L218 HydrophobicContact CB-CD2 4.22Å; I192-L218 HydrophobicContact CD1-CD1 4.36Å; I192-L218 HydrophobicContact CD1-CD2 4.18Å; I192-L218 HydrophobicContact CG1-CD1 4.24Å; I192-L218 HydrophobicContact CG1-CD2 4.29Å; I192-F222 HydrophobicContact CD1-CE2 3.46Å; I192-F222 VanDerWaalsContact CD1-CE2 3.46Å; I192-F222 HydrophobicContact CD1-CZ 3.5Å; I192-F222 VanDerWaalsContact CD1-CZ 3.5Å; I192-F238 HydrophobicContact CD1-CD2 4.15Å; I192-F238 HydrophobicContact CD1-CE2 4Å; I192-F238 HydrophobicContact CG2-CE2 4.39Å; I192-F238 HydrophobicContact CG2-CZ 4.33Å; I192-V256 CarbonylContact C-O 3.4Å; I192-V256 WeakPolarHBondContact CA-O 3.23Å; I192-F257 HydrophobicContact CB-CD1 4.45Å; I192-F257 HydrophobicContact CD1-CD1 3.92Å; I192-F257 HydrophobicContact CD1-CE1 4.01Å; I192-F257 HydrophobicContact CG1-CD1 3.89Å; I192-F257 HydrophobicContact CG1-CE1 4.35Å; I192-F257 HydrophobicContact CG2-CD1 3.83Å; I192-F257 HydrophobicContact CG2-CE1 3.76Å; I192-F257 HydrophobicContact CG2-CZ 4.4Å
193	A	90.6	Very high	76.7	Confident	2 Å²	2	57.1 Å²	57.1	2%	0.017	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	156.6	178.1	0	0	0	0	0	110.4	F191 L211 V212 M213 V256	F191-A193 HydrophobicContact CD2-CB 4.43Å; A193-L211 HydrophobicContact CB-CB 4.22Å; A193-L211 HydrophobicContact CB-CD2 4.44Å; A193-V212 CarbonylContact C-O 3.59Å; A193-V212 VanDerWaalsContact CA-O 3.27Å; A193-V212 WeakPolarHBondContact CA-O 3.44Å; A193-M213 HydrophobicContact CB-SD 4.38Å; A193-V256 HydrophobicContact CB-CB 4.47Å; A193-V256 PolarHBondContact N-O 3.14Å; A193-V256 PolarHBondContact O-N 2.87Å
194	M	90.8	Very high	74.6	Confident	8 Å²	8	58.9 Å²	58.9	4%	0.039	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	146.2	177.1	76.2	-176.6	105.6	0	0	110.1	L211 V212 V214 P215 L244 I252 K254 L255	M194-L211 WeakPolarHBondContact O-CA 3.45Å; M194-V212 HydrophobicContact CG-CG2 3.86Å; M194-V212 PolarHBondContact N-O 2.83Å; M194-V212 WeakPolarHBondContact O-CG2 3.4Å; M194-V212 PolarHBondContact O-N 2.97Å; M194-V214 HydrophobicContact CB-CG2 4.41Å; M194-V214 HydrophobicContact CE-CB 4.1Å; M194-V214 HydrophobicContact CE-CG1 4.35Å; M194-V214 HydrophobicContact CE-CG2 3.77Å; M194-P215 VanDerWaalsContact CE-CD 3.48Å; M194-L244 HydrophobicContact CE-CD1 4.06Å; M194-L244 HydrophobicContact SD-CD1 4.34Å; M194-I252 HydrophobicContact CB-CD1 4.28Å; M194-I252 HydrophobicContact CB-CG1 4.37Å; M194-I252 HydrophobicContact CB-CG2 4.05Å; M194-I252 HydrophobicContact CG-CD1 4.44Å; M194-I252 HydrophobicContact CG-CG1 4.41Å; M194-I252 HydrophobicContact SD-CD1 3.49Å; M194-I252 WeakPolarHBondContact SD-CD1 3.22Å; M194-I252 HydrophobicContact SD-CG1 3.76Å; M194-K254 CarbonylContact C-O 3.57Å; M194-K254 VanDerWaalsContact CA-O 3.27Å; M194-K254 WeakPolarHBondContact CA-O 3.42Å; M194-L255 HydrophobicContact CB-CD2 3.83Å
195	D	88.7	Confident	72.5	Confident	4 Å²	4	59.4 Å²	59.4	2%	0.021	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	116.2	164.7	-172.9	-17.3	0	0	0	107.8	G197 N210 L211 I252 E253 K254	D195-G197 PolarHBondContact OD1-N 2.77Å; D195-N210 VanDerWaalsContact OD1-CB 3.31Å; D195-N210 WeakPolarHBondContact OD1-CB 3.25Å; D195-N210 WeakPolarHBondContact OD2-CB 3.31Å; D195-L211 HydrophobicContact CB-CD2 4.13Å; D195-I252 CarbonylContact O-C 3.51Å; D195-I252 VanDerWaalsContact O-CA 3.23Å; D195-I252 WeakPolarHBondContact O-CA 3.27Å; D195-E253 HydrophobicContact CB-CB 4.47Å; D195-E253 PolarHBondContact O-N 2.8Å; D195-K254 HydrophobicContact CB-CB 3.98Å; D195-K254 HydrophobicContact CB-CG 4.32Å; D195-K254 PolarHBondContact N-O 3.41Å
196	N	79	Confident	70.5	Confident	43 Å²	43	62.4 Å²	62.4	23%	0.23	33%	0.33	C	S	.	.			trans	-100.3	8.8	-178.9	66.5	3.6	0	0	0	113.4	Y198	N196-Y198 VanDerWaalsContact C-N 3.3Å; N196-Y198 PolarHBondContact O-N 3.06Å; N196-Y198 WeakPolarHBondContact OD1-CB 3.28Å; N196-Y198 PolarHBondContact OD1-N 2.98Å
197	G	70.5	Confident	68.9	Low	43 Å²	43	57.6 Å²	57.6	44%	0.443	31%	0.308	S	S	.	.	S	Bend	trans	79.9	1	-177.4	0	0	0	0	0	115	D195	D195-G197 PolarHBondContact OD1-N 2.77Å
198	Y	66.2	Low	67.4	Low	140 Å²	140	60 Å²	60	55%	0.549	32%	0.321	S	S	.	.	S	Bend	trans	-100.1	148.9	170.4	-66	-74.8	0	0	0	110.6	N196 G200 R251	N196-Y198 VanDerWaalsContact C-N 3.3Å; N196-Y198 PolarHBondContact O-N 3.06Å; N196-Y198 WeakPolarHBondContact OD1-CB 3.28Å; N196-Y198 PolarHBondContact OD1-N 2.98Å; Y198-G200 PolarHBondContact O-N 3.42Å; Y198-G200 VanDerWaalsContact O-N 3.07Å; Y198-R251 PolarHBondContact OH-NH1 3.37Å; Y198-R251 VanDerWaalsContact OH-NH1 3.08Å
199	E	51.9	Low	65.8	Low	189 Å²	189	64.8 Å²	64.8	88%	0.883	35%	0.347	S	S	*	.			trans	-57.4	116	171.6	-69.3	-172.9	166.4	0	0	109.7
200	G	50	Low	64.9	Low	24 Å²	24	67 Å²	67	25%	0.247	36%	0.359	C	S	.	.			trans	-97.6	-175.8	-173	0	0	0	0	0	113.3	Y198 N209	Y198-G200 PolarHBondContact O-N 3.42Å; Y198-G200 VanDerWaalsContact O-N 3.07Å; G200-N209 CarbonylContact C-O 3.59Å; G200-N209 VanDerWaalsContact C-O 3.24Å; G200-N209 WeakPolarHBondContact CA-O 3.47Å; G200-N209 PolarHBondContact N-O 3.39Å
201	I	47.6	Very low	64.6	Low	133 Å²	133	64.7 Å²	64.7	68%	0.682	35%	0.348	S	S	*	.			trans	-75.4	130.8	178.5	-61.1	171.1	0	0	0	108.7	L203	I201-L203 PolarHBondContact O-N 3.23Å
202	R	38.4	Very low	64.5	Low	212 Å²	212	65.2 Å²	65.2	80%	0.8	35%	0.353	S	S	*	.			trans	-57.7	102	177.2	-68.1	-179.3	179.7	-175.1	-0.4	111.7
203	L	44.4	Very low	64.3	Low	65 Å²	65	69.4 Å²	69.4	34%	0.34	37%	0.374	S	S	.	.			trans	-101.3	84.7	157.4	-64.3	174.5	0	0	0	107.4	I201	I201-L203 PolarHBondContact O-N 3.23Å
204	S	39.5	Very low	64.2	Low	62 Å²	62	69.4 Å²	69.4	43%	0.434	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	150.8	158.6	59.4	0	0	0	0	108	F482	S204-F482 WeakPolarHBondContact O-CE1 3.21Å; S204-F482 VanDerWaalsContact O-CE2 3.24Å; S204-F482 WeakPolarHBondContact O-CE2 3.4Å; S204-F482 WeakPolarHBondContact O-CZ 3.48Å; S204-F482 WeakPolarHBondContact OG-CE2 3.27Å
205	I	44.5	Very low	64.2	Low	64 Å²	64	71.9 Å²	71.9	33%	0.328	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	cis	-130.1	115.2	8.2	-68.6	161.4	0	0	0	105.5	R479 F482	I205-R479 HydrophobicContact CD1-CB 3.94Å; I205-R479 HydrophobicContact CD1-CG 3.71Å; I205-R479 HydrophobicContact CG2-CG 4.08Å; I205-F482 HydrophobicContact CB-CD1 4.44Å; I205-F482 HydrophobicContact CD1-CB 3.62Å; I205-F482 HydrophobicContact CD1-CD1 3.9Å; I205-F482 HydrophobicContact CD1-CG 3.78Å; I205-F482 HydrophobicContact CG1-CD1 4.19Å; I205-F482 HydrophobicContact CG1-CG 4.29Å
206	G	51.1	Low	64.3	Low	70 Å²	70	77.5 Å²	77.5	72%	0.722	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.6	3.7	179.2	0	0	0	0	0	116.2
207	L	54.3	Low	64.9	Low	33 Å²	33	77.9 Å²	77.9	17%	0.173	42%	0.423	C	S	.	.	S	Bend	trans	-100.4	128.2	167.3	-68.6	170.7	0	0	0	107.5	F191 L211 V256 L543	F191-L207 HydrophobicContact CZ-CD1 4.3Å; L207-L211 HydrophobicContact CB-CD1 3.93Å; L207-L211 HydrophobicContact CD2-CD1 4.2Å; L207-V256 HydrophobicContact CD2-CG1 4.08Å; L207-L543 HydrophobicContact CD2-CD1 3.82Å
208	D	55.4	Low	66	Low	79 Å²	79	76.5 Å²	76.5	42%	0.422	41%	0.405	S	S	.	.			trans	-51.1	141.1	-177.5	-78.8	-27.7	0	0	0	111.9	N210 L211 K254	D208-N210 PolarHBondContact O-N 2.86Å; D208-L211 HydrophobicContact CB-CD1 4.36Å; D208-L211 HydrophobicContact CB-CG 4.34Å; D208-L211 WeakPolarHBondContact O-CG 3.19Å; D208-L211 PolarHBondContact O-N 2.84Å; D208-K254 IonicContact OD2-NZ 3.39Å; D208-K254 PolarHBondContact OD2-NZ 2.86Å
209	N	57.8	Low	67.3	Low	106 Å²	106	73.5 Å²	73.5	57%	0.567	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-11.5	-176.2	-71.1	-14.6	0	0	0	114.7	G200	G200-N209 CarbonylContact C-O 3.59Å; G200-N209 VanDerWaalsContact C-O 3.24Å; G200-N209 WeakPolarHBondContact CA-O 3.47Å; G200-N209 PolarHBondContact N-O 3.39Å
210	N	73.5	Confident	69.3	Low	51 Å²	51	70.3 Å²	70.3	27%	0.273	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	0.6	-174.9	-61.6	-12	0	0	0	113.4	D195 D208 V212	D195-N210 VanDerWaalsContact OD1-CB 3.31Å; D195-N210 WeakPolarHBondContact OD1-CB 3.25Å; D195-N210 WeakPolarHBondContact OD2-CB 3.31Å; D208-N210 PolarHBondContact O-N 2.86Å; N210-V212 PolarHBondContact O-N 3.17Å
211	L	81.6	Confident	71.4	Confident	6 Å²	6	69.2 Å²	69.2	3%	0.031	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	121.8	-176.7	-68	169.5	0	0	0	111.3	A193 M194 D195 L207 D208 V256	A193-L211 HydrophobicContact CB-CB 4.22Å; A193-L211 HydrophobicContact CB-CD2 4.44Å; M194-L211 WeakPolarHBondContact O-CA 3.45Å; D195-L211 HydrophobicContact CB-CD2 4.13Å; L207-L211 HydrophobicContact CB-CD1 3.93Å; L207-L211 HydrophobicContact CD2-CD1 4.2Å; D208-L211 HydrophobicContact CB-CD1 4.36Å; D208-L211 HydrophobicContact CB-CG 4.34Å; D208-L211 WeakPolarHBondContact O-CG 3.19Å; D208-L211 PolarHBondContact O-N 2.84Å; L211-V256 HydrophobicContact CD1-CB 4.46Å; L211-V256 HydrophobicContact CD1-CG2 3.86Å; L211-V256 HydrophobicContact CD2-CB 4.34Å; L211-V256 HydrophobicContact CD2-CG2 3.63Å; L211-V256 HydrophobicContact CG-CG2 4.43Å
212	V	85.5	Confident	73.7	Confident	36 Å²	36	63.4 Å²	63.4	22%	0.218	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	142.5	170.9	-64.9	0	0	0	0	110.1	A193 M194 N210	A193-V212 CarbonylContact C-O 3.59Å; A193-V212 VanDerWaalsContact CA-O 3.27Å; A193-V212 WeakPolarHBondContact CA-O 3.44Å; M194-V212 HydrophobicContact CG-CG2 3.86Å; M194-V212 PolarHBondContact N-O 2.83Å; M194-V212 WeakPolarHBondContact O-CG2 3.4Å; M194-V212 PolarHBondContact O-N 2.97Å; N210-V212 PolarHBondContact O-N 3.17Å
213	M	88.2	Confident	76.3	Confident	87 Å²	87	53.8 Å²	53.8	43%	0.429	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	139.2	177.3	-69.5	-64.7	-63	0	0	111.1	F191 A193	F191-M213 HydrophobicContact CB-CE 3.54Å; F191-M213 HydrophobicContact CB-SD 4.03Å; F191-M213 HydrophobicContact CD2-SD 4.39Å; A193-M213 HydrophobicContact CB-SD 4.38Å
214	V	89.8	Confident	78.6	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.012	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-62.4	134.1	171.6	174.7	0	0	0	0	109.6	I192 M194 M216 L218 Y221	I192-V214 HydrophobicContact CB-CB 4.4Å; I192-V214 HydrophobicContact CB-CG2 4.11Å; I192-V214 HydrophobicContact CG2-CB 4.46Å; I192-V214 HydrophobicContact CG2-CG2 3.68Å; I192-V214 PolarHBondContact O-N 2.81Å; M194-V214 HydrophobicContact CB-CG2 4.41Å; M194-V214 HydrophobicContact CE-CB 4.1Å; M194-V214 HydrophobicContact CE-CG1 4.35Å; M194-V214 HydrophobicContact CE-CG2 3.77Å; V214-M216 PolarHBondContact O-N 2.91Å; V214-L218 HydrophobicContact CB-CD2 4.28Å; V214-L218 HydrophobicContact CG1-CD2 4.32Å; V214-Y221 HydrophobicContact CG1-CD1 4.28Å; V214-Y221 HydrophobicContact CG1-CD2 4.22Å; V214-Y221 HydrophobicContact CG1-CE1 3.59Å; V214-Y221 HydrophobicContact CG1-CE2 3.58Å; V214-Y221 WeakPolarHBondContact CG1-OH 3.24Å
215	P	89.8	Confident	81.1	Confident	60 Å²	60	48.7 Å²	48.7	39%	0.39	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-56.4	128.8	179.8	-26.9	33.6	0	0	0	112.4	M194 Y221 L244	M194-P215 VanDerWaalsContact CE-CD 3.48Å; P215-Y221 WeakPolarHBondContact CD-OH 3.49Å; P215-Y221 WeakPolarHBondContact O-CE2 3.34Å; P215-Y221 PolarHBondContact O-OH 3.24Å; P215-L244 HydrophobicContact CG-CD2 4.36Å
216	M	90.5	Very high	83.2	Confident	123 Å²	123	46.2 Å²	46.2	61%	0.606	26%	0.263	S	S	*	.	S	Bend	trans	-69	156.9	176	-73.6	-71.4	179.5	0	0	112.3	V214 L218	V214-M216 PolarHBondContact O-N 2.91Å; M216-L218 HydrophobicContact CE-CD1 4.08Å; M216-L218 HydrophobicContact CE-CD2 4.49Å; M216-L218 HydrophobicContact CE-CG 3.9Å; M216-L218 HydrophobicContact SD-CB 4.47Å; M216-L218 HydrophobicContact SD-CD1 4.48Å; M216-L218 HydrophobicContact SD-CD2 4.35Å; M216-L218 HydrophobicContact SD-CG 3.71Å
217	P	93.2	Very high	84.9	Confident	51 Å²	51	43.3 Å²	43.3	33%	0.331	23%	0.23	S	C	.	.	P	Polyproline II helix	cis	-82.2	140.5	-2.4	31.9	-33.9	0	0	0	112.8	S219 R220	P217-S219 PolarHBondContact O-N 3.47Å; P217-R220 HydrophobicContact CG-CG 3.98Å; P217-R220 PolarHBondContact O-N 2.9Å
218	L	92.6	Very high	86.3	Confident	14 Å²	14	42.8 Å²	42.8	7%	0.073	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-59.3	-31.6	179.9	-66.4	-179.2	0	0	0	112.8	V185 I192 V214 M216 R220 Y221 F222	V185-L218 HydrophobicContact CG1-CB 3.98Å; V185-L218 HydrophobicContact CG1-CD1 4.47Å; I192-L218 HydrophobicContact CB-CD2 4.22Å; I192-L218 HydrophobicContact CD1-CD1 4.36Å; I192-L218 HydrophobicContact CD1-CD2 4.18Å; I192-L218 HydrophobicContact CG1-CD1 4.24Å; I192-L218 HydrophobicContact CG1-CD2 4.29Å; V214-L218 HydrophobicContact CB-CD2 4.28Å; V214-L218 HydrophobicContact CG1-CD2 4.32Å; M216-L218 HydrophobicContact CE-CD1 4.08Å; M216-L218 HydrophobicContact CE-CD2 4.49Å; M216-L218 HydrophobicContact CE-CG 3.9Å; M216-L218 HydrophobicContact SD-CB 4.47Å; M216-L218 HydrophobicContact SD-CD1 4.48Å; M216-L218 HydrophobicContact SD-CD2 4.35Å; M216-L218 HydrophobicContact SD-CG 3.71Å; L218-R220 PolarHBondContact O-N 2.92Å; L218-Y221 WeakPolarHBondContact O-CD2 3.48Å; L218-Y221 PolarHBondContact O-N 2.9Å; L218-F222 VanDerWaalsContact O-CD2 3.3Å; L218-F222 WeakPolarHBondContact O-CD2 3.32Å
219	S	93	Very high	87.4	Confident	76 Å²	76	42.9 Å²	42.9	53%	0.531	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-55	-23.8	179.8	58.1	0	0	0	0	114.6	P217 Y221 F222	P217-S219 PolarHBondContact O-N 3.47Å; S219-Y221 VanDerWaalsContact C-N 3.3Å; S219-Y221 PolarHBondContact O-N 2.8Å; S219-F222 PolarHBondContact O-N 2.97Å
220	R	94	Very high	88.3	Confident	123 Å²	123	42.7 Å²	42.7	46%	0.464	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-70.3	-24.3	178.7	-73	179.8	-179	-176.6	-4.5	114	P217 L218 F222 R242 Y243	P217-R220 HydrophobicContact CG-CG 3.98Å; P217-R220 PolarHBondContact O-N 2.9Å; L218-R220 PolarHBondContact O-N 2.92Å; R220-F222 VanDerWaalsContact C-N 3.33Å; R220-R242 VanDerWaalsContact O-CD 3.25Å; R220-R242 WeakPolarHBondContact O-CD 3.39Å; R220-R242 WeakPolarHBondContact O-CG 3.28Å; R220-R242 PolarHBondContact O-NE 2.81Å; R220-Y243 HydrophobicContact CB-CD2 3.94Å; R220-Y243 HydrophobicContact CB-CE2 4.5Å; R220-Y243 HydrophobicContact CB-CG 4.02Å; R220-Y243 HydrophobicContact CG-CD2 4.34Å; R220-Y243 VanDerWaalsContact NH1-CE2 3.26Å; R220-Y243 PolarHBondContact NH1-OH 3.04Å
221	Y	95	Very high	88.6	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-87	-9.5	-179.7	-58.6	-98.2	0	0	0	112.7	V214 P215 L218 S219 F238 Q239 I240 Y243 L244	V214-Y221 HydrophobicContact CG1-CD1 4.28Å; V214-Y221 HydrophobicContact CG1-CD2 4.22Å; V214-Y221 HydrophobicContact CG1-CE1 3.59Å; V214-Y221 HydrophobicContact CG1-CE2 3.58Å; V214-Y221 WeakPolarHBondContact CG1-OH 3.24Å; P215-Y221 WeakPolarHBondContact CD-OH 3.49Å; P215-Y221 WeakPolarHBondContact O-CE2 3.34Å; P215-Y221 PolarHBondContact O-OH 3.24Å; L218-Y221 WeakPolarHBondContact O-CD2 3.48Å; L218-Y221 PolarHBondContact O-N 2.9Å; S219-Y221 VanDerWaalsContact C-N 3.3Å; S219-Y221 PolarHBondContact O-N 2.8Å; Y221-F238 HydrophobicContact CD1-CE2 4.12Å; Y221-F238 HydrophobicContact CD1-CZ 4.4Å; Y221-F238 AromaticContact CG-CE2 3.99Å; Y221-F238 HydrophobicContact CG-CE2 3.99Å; Y221-Q239 PolarHBondContact O-N 3.15Å; Y221-I240 HydrophobicContact CD1-CD1 4.37Å; Y221-I240 HydrophobicContact CE1-CD1 4.32Å; Y221-Y243 AromaticContact CE1-CD1 3.94Å; Y221-Y243 HydrophobicContact CE1-CD1 3.94Å; Y221-Y243 HydrophobicContact CE1-CG 4.46Å; Y221-Y243 AromaticContact CE2-CD1 3.76Å; Y221-Y243 HydrophobicContact CE2-CD1 3.76Å; Y221-Y243 HydrophobicContact CE2-CE1 4.38Å; Y221-Y243 HydrophobicContact CE2-CG 4.39Å; Y221-Y243 AromaticContact CZ-CD1 3.36Å; Y221-Y243 VanDerWaalsContact OH-CD1 3.24Å; Y221-Y243 WeakPolarHBondContact OH-CD1 3.42Å; Y221-L244 HydrophobicContact CE1-CD1 3.81Å; Y221-L244 HydrophobicContact CE1-CG 3.72Å
222	F	95.3	Very high	88.8	Confident	12 Å²	12	41.4 Å²	41.4	5%	0.053	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	152.9	-173.4	-72.3	-89	0	0	0	112.5	V185 F189 I192 L218 S219 R220 F236 N237 F238	V185-F222 HydrophobicContact CB-CD2 4.26Å; V185-F222 HydrophobicContact CG1-CD2 3.59Å; V185-F222 HydrophobicContact CG1-CE2 3.41Å; V185-F222 VanDerWaalsContact CG1-CE2 3.41Å; V185-F222 HydrophobicContact CG1-CG 4.31Å; V185-F222 HydrophobicContact CG1-CZ 3.99Å; V185-F222 HydrophobicContact CG2-CB 3.73Å; V185-F222 HydrophobicContact CG2-CD1 4.49Å; V185-F222 HydrophobicContact CG2-CD2 3.55Å; V185-F222 HydrophobicContact CG2-CE2 4.24Å; V185-F222 HydrophobicContact CG2-CG 3.68Å; F189-F222 HydrophobicContact CD2-CE1 4.22Å; F189-F222 HydrophobicContact CD2-CE2 4.42Å; F189-F222 AromaticContact CD2-CZ 3.8Å; F189-F222 HydrophobicContact CD2-CZ 3.8Å; F189-F222 HydrophobicContact CE1-CZ 4.28Å; F189-F222 HydrophobicContact CE2-CD1 4.25Å; F189-F222 AromaticContact CE2-CE1 3.28Å; F189-F222 HydrophobicContact CE2-CE1 3.28Å; F189-F222 HydrophobicContact CE2-CE2 4.23Å; F189-F222 AromaticContact CE2-CZ 3.27Å; F189-F222 HydrophobicContact CE2-CZ 3.27Å; F189-F222 HydrophobicContact CG-CZ 4.45Å; F189-F222 AromaticContact CZ-CE1 3.49Å; F189-F222 HydrophobicContact CZ-CE1 3.49Å; F189-F222 VanDerWaalsContact CZ-CE1 3.49Å; F189-F222 AromaticContact CZ-CZ 3.53Å; F189-F222 HydrophobicContact CZ-CZ 3.53Å; I192-F222 HydrophobicContact CD1-CE2 3.46Å; I192-F222 VanDerWaalsContact CD1-CE2 3.46Å; I192-F222 HydrophobicContact CD1-CZ 3.5Å; I192-F222 VanDerWaalsContact CD1-CZ 3.5Å; L218-F222 VanDerWaalsContact O-CD2 3.3Å; L218-F222 WeakPolarHBondContact O-CD2 3.32Å; S219-F222 PolarHBondContact O-N 2.97Å; R220-F222 VanDerWaalsContact C-N 3.33Å; F222-F236 HydrophobicContact CD1-CB 3.83Å; F222-F236 HydrophobicContact CE1-CB 4.01Å; F222-N237 VanDerWaalsContact CA-O 3.26Å; F222-N237 WeakPolarHBondContact CA-O 3.24Å; F222-N237 WeakPolarHBondContact CD1-O 3.45Å; F222-F238 HydrophobicContact CD1-CB 4.02Å; F222-F238 HydrophobicContact CD1-CD2 4.48Å; F222-F238 HydrophobicContact CD2-CD2 4.17Å; F222-F238 HydrophobicContact CE1-CB 3.47Å; F222-F238 VanDerWaalsContact CE1-CB 3.47Å; F222-F238 AromaticContact CE1-CD2 3.93Å; F222-F238 HydrophobicContact CE1-CD2 3.93Å; F222-F238 HydrophobicContact CE1-CG 4.18Å; F222-F238 AromaticContact CE2-CD2 3.55Å; F222-F238 HydrophobicContact CE2-CD2 3.55Å; F222-F238 HydrophobicContact CE2-CE2 4.21Å; F222-F238 HydrophobicContact CZ-CB 3.83Å; F222-F238 AromaticContact CZ-CD2 3.42Å; F222-F238 HydrophobicContact CZ-CD2 3.42Å; F222-F238 VanDerWaalsContact CZ-CD2 3.42Å; F222-F238 HydrophobicContact CZ-CE2 4.36Å; F222-F238 HydrophobicContact CZ-CG 4.03Å
223	Y	93.7	Very high	88.9	Confident	9 Å²	9	39.8 Å²	39.8	4%	0.035	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	162.2	153	64.7	-86.9	0	0	0	108.9	D114 Q225 N237 R353	D114-Y223 PolarHBondContact OD2-OH 3.05Å; Y223-Q225 HydrophobicContact CE2-CB 4.23Å; Y223-N237 HydrophobicContact CD1-CB 3.85Å; Y223-N237 HydrophobicContact CD2-CB 3.96Å; Y223-N237 HydrophobicContact CE1-CB 3.45Å; Y223-N237 VanDerWaalsContact CE1-CB 3.45Å; Y223-N237 HydrophobicContact CE2-CB 3.54Å; Y223-N237 VanDerWaalsContact CE2-CG 3.45Å; Y223-N237 HydrophobicContact CG-CB 4.1Å; Y223-N237 PolarHBondContact N-O 2.68Å; Y223-N237 VanDerWaalsContact N-O 3.17Å; Y223-N237 PolarHBondContact O-N 3.13Å; Y223-N237 PolarHBondContact OH-OD1 3.23Å; Y223-R353 VanDerWaalsContact CB-CZ 3.44Å
224	T	92.2	Very high	89	Confident	17 Å²	17	36 Å²	36	10%	0.104	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	130.4	176.1	53.3	0	0	0	0	110.6	C235 F236 D346 G347	T224-C235 WeakPolarHBondContact CA-O 3.46Å; T224-F236 HydrophobicContact CG2-CD1 4.38Å; T224-D346 VanDerWaalsContact O-CA 3.28Å; T224-D346 WeakPolarHBondContact O-CA 3.25Å; T224-D346 VanDerWaalsContact O-CB 3.22Å; T224-D346 WeakPolarHBondContact O-CB 3.47Å; T224-D346 VanDerWaalsContact O-CG 3.29Å; T224-G347 PolarHBondContact O-N 2.63Å; T224-G347 WeakPolarHBondContact OG1-CA 3.48Å; T224-G347 PolarHBondContact OG1-N 3.22Å
225	Q	91.5	Very high	89.2	Confident	4 Å²	4	35.9 Å²	35.9	2%	0.019	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	144.2	171.9	-176.2	178.2	-14.5	0	0	108	Y223 L227 C235 N237 F288	Y223-Q225 HydrophobicContact CE2-CB 4.23Å; Q225-L227 HydrophobicContact CG-CD2 4.35Å; Q225-C235 PolarHBondContact N-O 3.47Å; Q225-C235 WeakPolarHBondContact O-CB 3.25Å; Q225-C235 PolarHBondContact O-N 2.9Å; Q225-N237 WeakPolarHBondContact CB-ND2 3.39Å; Q225-N237 PolarHBondContact N-ND2 3.5Å; Q225-N237 PolarHBondContact OE1-OD1 3.29Å; Q225-F288 VanDerWaalsContact NE2-CE2 3.32Å
226	I	89.3	Confident	89.4	Confident	12 Å²	12	34 Å²	34	6%	0.062	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	118.3	172.9	-64.1	172.2	0	0	0	108.1	Q228 N232 I233 F349	I226-Q228 PolarHBondContact O-NE2 2.85Å; I226-N232 HydrophobicContact CG2-CB 3.48Å; I226-N232 VanDerWaalsContact CG2-CB 3.48Å; I226-N232 VanDerWaalsContact CG2-CG 3.49Å; I226-N232 WeakPolarHBondContact CG2-OD1 3.43Å; I226-I233 WeakPolarHBondContact CA-O 3.38Å; I226-F349 HydrophobicContact CD1-CD1 3.85Å; I226-F349 HydrophobicContact CD1-CE1 3.09Å; I226-F349 HydrophobicContact CD1-CZ 3.75Å
227	L	87.9	Confident	89.7	Confident	9 Å²	9	28.1 Å²	28.1	5%	0.047	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	142.7	166.1	-61.1	-173.4	0	0	0	109.9	C118 Q225 I233 C235 Y281 F288 P289	C118-L227 WeakPolarHBondContact SG-CD1 3.3Å; Q225-L227 HydrophobicContact CG-CD2 4.35Å; L227-I233 PolarHBondContact N-O 3.28Å; L227-I233 PolarHBondContact O-N 2.98Å; L227-C235 HydrophobicContact CD1-CB 4.34Å; L227-C235 WeakPolarHBondContact CD1-SG 3.32Å; L227-C235 HydrophobicContact CG-CB 4.22Å; L227-C235 WeakPolarHBondContact CG-SG 3.26Å; L227-Y281 HydrophobicContact CD1-CD2 4.21Å; L227-Y281 HydrophobicContact CD1-CE2 3.83Å; L227-F288 HydrophobicContact CD2-CE1 4.22Å; L227-F288 HydrophobicContact CD2-CE2 3.84Å; L227-F288 HydrophobicContact CD2-CZ 3.67Å; L227-P289 HydrophobicContact CD1-CB 4.4Å; L227-P289 HydrophobicContact CD1-CG 3.37Å; L227-P289 HydrophobicContact CD2-CG 3.39Å; L227-P289 HydrophobicContact CG-CG 4.01Å
228	Q	81.8	Confident	89.8	Confident	22 Å²	22	25.7 Å²	25.7	10%	0.103	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	118.4	-179.1	-59.4	61.7	39.3	0	0	107.5	I226 F381 P383	I226-Q228 PolarHBondContact O-NE2 2.85Å; Q228-F381 WeakPolarHBondContact CB-O 3.42Å; Q228-P383 VanDerWaalsContact CD-CA 3.41Å; Q228-P383 HydrophobicContact CG-CG 4.35Å; Q228-P383 VanDerWaalsContact NE2-CA 3.27Å; Q228-P383 VanDerWaalsContact OE1-CG 3.31Å
229	K	79.9	Confident	90	Very high	80 Å²	80	25.9 Å²	25.9	35%	0.348	12%	0.12	S	C	.	.	S	Bend	trans	-112.2	-124.2	160.6	-60.5	-170	175.7	-170.2	0	107.8	P120 Y231 I233 D279	P120-K229 HydrophobicContact CB-CD 4.08Å; K229-Y231 PolarHBondContact N-O 3.26Å; K229-Y231 VanDerWaalsContact N-O 3.15Å; K229-Y231 PolarHBondContact O-N 3.29Å; K229-I233 HydrophobicContact CB-CD1 3.67Å; K229-I233 HydrophobicContact CD-CD1 3.63Å; K229-I233 HydrophobicContact CG-CD1 3.64Å; K229-D279 IonicContact NZ-OD1 2.7Å; K229-D279 PolarHBondContact NZ-OD1 2.77Å; K229-D279 IonicContact NZ-OD2 3.82Å; K229-D279 PolarHBondContact NZ-OD2 3.3Å
230	R	77	Confident	90	Very high	102 Å²	102	22.4 Å²	22.4	39%	0.385	10%	0.095	S	C	.	.	S	Bend	trans	-64.2	-25.5	169	-69.3	-178.3	171.5	-170.5	-6.8	112.7	D158 D161 F381	D158-R230 IonicContact OD2-CZ 3.11Å; D158-R230 IonicContact OD2-NH2 3.02Å; D158-R230 PolarHBondContact OD2-NH2 3.26Å; D161-R230 IonicContact OD2-CZ 3.97Å; D161-R230 IonicContact OD2-NH1 2.7Å; D161-R230 PolarHBondContact OD2-NH1 2.81Å; D161-R230 IonicContact OD2-NH2 3.1Å; D161-R230 PolarHBondContact OD2-NH2 3.14Å; R230-F381 VanDerWaalsContact O-CD1 3.28Å; R230-F381 WeakPolarHBondContact O-CD1 3.25Å; R230-F381 WeakPolarHBondContact O-CE1 3.3Å
231	Y	79.9	Confident	89.9	Confident	22 Å²	22	19 Å²	19	9%	0.086	9%	0.09	C	C	.	.	S	Bend	trans	-149.9	172.6	174.7	43.5	-97.5	0	0	0	109.3	P120 Q168 H172 K229 I233	P120-Y231 PolarHBondContact O-OH 3.5Å; Q168-Y231 HydrophobicContact CB-CD1 4Å; Q168-Y231 HydrophobicContact CB-CE1 4.15Å; Q168-Y231 HydrophobicContact CG-CE1 4.43Å; H172-Y231 AromaticContact CE1-CD2 3.67Å; H172-Y231 AromaticContact CE1-CE2 3.59Å; H172-Y231 AromaticContact ND1-CD2 3.76Å; H172-Y231 AromaticContact NE2-CD2 3.94Å; H172-Y231 AromaticContact NE2-CE2 3.81Å; K229-Y231 PolarHBondContact N-O 3.26Å; K229-Y231 VanDerWaalsContact N-O 3.15Å; K229-Y231 PolarHBondContact O-N 3.29Å; Y231-I233 HydrophobicContact CD2-CD1 4.38Å; Y231-I233 HydrophobicContact CD2-CG1 3.79Å; Y231-I233 HydrophobicContact CE2-CD1 4.17Å; Y231-I233 HydrophobicContact CE2-CG1 3.7Å; Y231-I233 PolarHBondContact O-N 3.27Å
232	N	84.4	Confident	89.7	Confident	8 Å²	8	24.4 Å²	24.4	4%	0.043	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	118.7	175.7	-81.2	-24.2	0	0	0	111.5	I226 P380	I226-N232 HydrophobicContact CG2-CB 3.48Å; I226-N232 VanDerWaalsContact CG2-CB 3.48Å; I226-N232 VanDerWaalsContact CG2-CG 3.49Å; I226-N232 WeakPolarHBondContact CG2-OD1 3.43Å; N232-P380 PolarHBondContact ND2-O 3.13Å; N232-P380 PolarHBondContact OD1-O 2.72Å; N232-P380 VanDerWaalsContact OD1-O 3.13Å
233	I	87.7	Confident	89.6	Confident	2 Å²	2	28.1 Å²	28.1	1%	0.01	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	125.1	179.4	-66.7	151.4	0	0	0	109.2	C118 P120 P123 I226 L227 K229 Y231 C235	C118-I233 HydrophobicContact CB-CG2 4.28Å; P120-I233 HydrophobicContact CB-CD1 3.62Å; P120-I233 HydrophobicContact CB-CG1 4.45Å; P123-I233 HydrophobicContact CB-CG2 4.5Å; I226-I233 WeakPolarHBondContact CA-O 3.38Å; L227-I233 PolarHBondContact N-O 3.28Å; L227-I233 PolarHBondContact O-N 2.98Å; K229-I233 HydrophobicContact CB-CD1 3.67Å; K229-I233 HydrophobicContact CD-CD1 3.63Å; K229-I233 HydrophobicContact CG-CD1 3.64Å; Y231-I233 HydrophobicContact CD2-CD1 4.38Å; Y231-I233 HydrophobicContact CD2-CG1 3.79Å; Y231-I233 HydrophobicContact CE2-CD1 4.17Å; Y231-I233 HydrophobicContact CE2-CG1 3.7Å; Y231-I233 PolarHBondContact O-N 3.27Å; I233-C235 PolarHBondContact O-N 3.41Å
234	P	90.7	Very high	89.4	Confident	8 Å²	8	28.5 Å²	28.5	5%	0.052	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	127.9	171.1	32	-35.6	0	0	0	110.2	P123 Y124 I182	P123-P234 HydrophobicContact CB-CG 4.01Å; Y124-P234 HydrophobicContact CD1-CG 4.42Å; Y124-P234 HydrophobicContact CE1-CG 3.75Å; I182-P234 HydrophobicContact CG2-CB 3.83Å; I182-P234 HydrophobicContact CG2-CG 4.26Å
235	C	93.7	Very high	89.4	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	137	176.3	-61.3	0	0	0	0	109.9	I116 L117 C118 T224 Q225 L227 I233 N237	I116-C235 HydrophobicContact CG2-CB 3.84Å; L117-C235 CarbonylContact O-C 3.48Å; L117-C235 WeakPolarHBondContact O-CA 3.36Å; C118-C235 HydrophobicContact CB-CB 4.07Å; C118-C235 WeakPolarHBondContact CB-SG 3.23Å; C118-C235 WeakPolarHBondContact SG-CB 3.41Å; C118-C235 CovalentContact SG-SG 2.02Å; C118-C235 PolarHBondContact SG-SG 3.42Å; T224-C235 WeakPolarHBondContact CA-O 3.46Å; Q225-C235 PolarHBondContact N-O 3.47Å; Q225-C235 WeakPolarHBondContact O-CB 3.25Å; Q225-C235 PolarHBondContact O-N 2.9Å; L227-C235 HydrophobicContact CD1-CB 4.34Å; L227-C235 WeakPolarHBondContact CD1-SG 3.32Å; L227-C235 HydrophobicContact CG-CB 4.22Å; L227-C235 WeakPolarHBondContact CG-SG 3.26Å; I233-C235 PolarHBondContact O-N 3.41Å; C235-N237 PolarHBondContact O-ND2 2.03Å
236	F	95	Very high	89.2	Confident	19 Å²	19	38.1 Å²	38.1	8%	0.083	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	119.1	176.5	-61	-99.9	0	0	0	109	I116 L117 N184 V185 M188 F189 F222 T224	I116-F236 WeakPolarHBondContact CA-O 3.24Å; L117-F236 PolarHBondContact N-O 3.49Å; L117-F236 PolarHBondContact O-N 3.26Å; N184-F236 WeakPolarHBondContact O-CE1 3.42Å; N184-F236 WeakPolarHBondContact O-CZ 3.46Å; V185-F236 HydrophobicContact CG2-CD1 4.32Å; V185-F236 HydrophobicContact CG2-CE1 4.46Å; M188-F236 HydrophobicContact CB-CD2 4.28Å; M188-F236 HydrophobicContact CB-CE2 3.95Å; M188-F236 HydrophobicContact CB-CZ 4.28Å; M188-F236 HydrophobicContact CE-CB 3.45Å; M188-F236 VanDerWaalsContact CE-CB 3.45Å; M188-F236 HydrophobicContact CE-CD1 4.49Å; M188-F236 HydrophobicContact CE-CD2 3.13Å; M188-F236 HydrophobicContact CE-CE2 3.96Å; M188-F236 HydrophobicContact CE-CG 3.45Å; M188-F236 VanDerWaalsContact CE-CG 3.45Å; M188-F236 HydrophobicContact SD-CD2 3.52Å; M188-F236 VanDerWaalsContact SD-CD2 3.52Å; M188-F236 HydrophobicContact SD-CE2 3.85Å; M188-F236 HydrophobicContact SD-CG 4.4Å; F189-F236 HydrophobicContact CE2-CB 4.13Å; F189-F236 HydrophobicContact CE2-CG 4.34Å; F222-F236 HydrophobicContact CD1-CB 3.83Å; F222-F236 HydrophobicContact CE1-CB 4.01Å; T224-F236 HydrophobicContact CG2-CD1 4.38Å
237	N	95.7	Very high	89	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	110.5	176.5	-66.2	-97	0	0	0	108	I116 F222 Y223 Q225 C235	I116-N237 WeakPolarHBondContact CD1-OD1 3.33Å; I116-N237 WeakPolarHBondContact CG1-OD1 3.26Å; I116-N237 WeakPolarHBondContact CG2-OD1 3.47Å; F222-N237 VanDerWaalsContact CA-O 3.26Å; F222-N237 WeakPolarHBondContact CA-O 3.24Å; F222-N237 WeakPolarHBondContact CD1-O 3.45Å; Y223-N237 HydrophobicContact CD1-CB 3.85Å; Y223-N237 HydrophobicContact CD2-CB 3.96Å; Y223-N237 HydrophobicContact CE1-CB 3.45Å; Y223-N237 VanDerWaalsContact CE1-CB 3.45Å; Y223-N237 HydrophobicContact CE2-CB 3.54Å; Y223-N237 VanDerWaalsContact CE2-CG 3.45Å; Y223-N237 HydrophobicContact CG-CB 4.1Å; Y223-N237 PolarHBondContact N-O 2.68Å; Y223-N237 VanDerWaalsContact N-O 3.17Å; Y223-N237 PolarHBondContact O-N 3.13Å; Y223-N237 PolarHBondContact OH-OD1 3.23Å; Q225-N237 WeakPolarHBondContact CB-ND2 3.39Å; Q225-N237 PolarHBondContact N-ND2 3.5Å; Q225-N237 PolarHBondContact OE1-OD1 3.29Å; C235-N237 PolarHBondContact O-ND2 2.03Å
238	F	96.8	Very high	89	Confident	1 Å²	1	44.9 Å²	44.9	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	122.4	173.5	178.8	-102.1	0	0	0	110	D114 I115 I192 Y221 F222 I240 L255 F257	D114-F238 WeakPolarHBondContact CA-O 3.29Å; I115-F238 HydrophobicContact CB-CB 4.19Å; I115-F238 HydrophobicContact CB-CD1 4.41Å; I115-F238 HydrophobicContact CG1-CD1 4.41Å; I115-F238 PolarHBondContact N-O 2.91Å; I115-F238 WeakPolarHBondContact O-CB 3.49Å; I115-F238 PolarHBondContact O-N 2.96Å; I192-F238 HydrophobicContact CD1-CD2 4.15Å; I192-F238 HydrophobicContact CD1-CE2 4Å; I192-F238 HydrophobicContact CG2-CE2 4.39Å; I192-F238 HydrophobicContact CG2-CZ 4.33Å; Y221-F238 HydrophobicContact CD1-CE2 4.12Å; Y221-F238 HydrophobicContact CD1-CZ 4.4Å; Y221-F238 AromaticContact CG-CE2 3.99Å; Y221-F238 HydrophobicContact CG-CE2 3.99Å; F222-F238 HydrophobicContact CD1-CB 4.02Å; F222-F238 HydrophobicContact CD1-CD2 4.48Å; F222-F238 HydrophobicContact CD2-CD2 4.17Å; F222-F238 HydrophobicContact CE1-CB 3.47Å; F222-F238 VanDerWaalsContact CE1-CB 3.47Å; F222-F238 AromaticContact CE1-CD2 3.93Å; F222-F238 HydrophobicContact CE1-CD2 3.93Å; F222-F238 HydrophobicContact CE1-CG 4.18Å; F222-F238 AromaticContact CE2-CD2 3.55Å; F222-F238 HydrophobicContact CE2-CD2 3.55Å; F222-F238 HydrophobicContact CE2-CE2 4.21Å; F222-F238 HydrophobicContact CZ-CB 3.83Å; F222-F238 AromaticContact CZ-CD2 3.42Å; F222-F238 HydrophobicContact CZ-CD2 3.42Å; F222-F238 VanDerWaalsContact CZ-CD2 3.42Å; F222-F238 HydrophobicContact CZ-CE2 4.36Å; F222-F238 HydrophobicContact CZ-CG 4.03Å; F238-I240 HydrophobicContact CE1-CB 4.09Å; F238-I240 HydrophobicContact CE1-CD1 3.92Å; F238-I240 HydrophobicContact CZ-CB 4.4Å; F238-I240 HydrophobicContact CZ-CD1 3.56Å; F238-L255 HydrophobicContact CE1-CD1 3.82Å; F238-F257 HydrophobicContact CB-CE1 4.37Å; F238-F257 AromaticContact CD1-CE1 3.84Å; F238-F257 HydrophobicContact CD1-CE1 3.84Å; F238-F257 AromaticContact CD1-CZ 3.67Å; F238-F257 HydrophobicContact CD1-CZ 3.67Å; F238-F257 HydrophobicContact CD2-CE1 4.16Å; F238-F257 HydrophobicContact CE1-CE1 4.1Å; F238-F257 AromaticContact CE1-CZ 3.84Å; F238-F257 HydrophobicContact CE1-CZ 3.84Å; F238-F257 HydrophobicContact CE2-CE1 4.37Å; F238-F257 AromaticContact CG-CE1 3.85Å; F238-F257 HydrophobicContact CG-CE1 3.85Å; F238-F257 HydrophobicContact CG-CZ 4.16Å; F238-F257 HydrophobicContact CZ-CE1 4.32Å; F238-F257 HydrophobicContact CZ-CZ 4.43Å
239	Q	95.4	Very high	89.3	Confident	18 Å²	18	45.5 Å²	45.5	8%	0.084	22%	0.215	C	C	.	.			trans	-129.2	107.7	177.2	-178.8	171.4	68.4	0	0	110	D114 Y221 S241 R242	D114-Q239 WeakPolarHBondContact OD1-CB 3.28Å; D114-Q239 VanDerWaalsContact OD1-CG 3.24Å; D114-Q239 WeakPolarHBondContact OD1-CG 3.45Å; D114-Q239 PolarHBondContact OD1-NE2 3.46Å; D114-Q239 PolarHBondContact OD2-NE2 3.04Å; Y221-Q239 PolarHBondContact O-N 3.15Å; Q239-S241 VanDerWaalsContact C-N 3.32Å; Q239-S241 WeakPolarHBondContact CG-OG 3.23Å; Q239-S241 PolarHBondContact O-N 2.88Å; Q239-R242 HydrophobicContact CB-CB 4.18Å; Q239-R242 HydrophobicContact CG-CB 4.12Å; Q239-R242 VanDerWaalsContact O-CB 3.23Å; Q239-R242 WeakPolarHBondContact O-CB 3.32Å; Q239-R242 PolarHBondContact O-N 3.06Å
240	I	92.6	Very high	89.7	Confident	3 Å²	3	44.9 Å²	44.9	2%	0.015	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-63.3	-38.6	-176.1	-163	75.9	0	0	0	112.4	W112 Y221 F238 R242 Y243 L244 Y249 I252 L255	W112-I240 HydrophobicContact CB-CG2 3.53Å; W112-I240 HydrophobicContact CG-CG2 3.95Å; Y221-I240 HydrophobicContact CD1-CD1 4.37Å; Y221-I240 HydrophobicContact CE1-CD1 4.32Å; F238-I240 HydrophobicContact CE1-CB 4.09Å; F238-I240 HydrophobicContact CE1-CD1 3.92Å; F238-I240 HydrophobicContact CZ-CB 4.4Å; F238-I240 HydrophobicContact CZ-CD1 3.56Å; I240-R242 PolarHBondContact O-N 2.92Å; I240-Y243 PolarHBondContact O-N 2.9Å; I240-L244 HydrophobicContact CD1-CD1 3.6Å; I240-L244 HydrophobicContact CG1-CD1 3.89Å; I240-L244 PolarHBondContact O-N 2.95Å; I240-L244 VanDerWaalsContact O-N 3.14Å; I240-Y249 HydrophobicContact CG2-CD2 4.37Å; I240-Y249 HydrophobicContact CG2-CG 4.21Å; I240-I252 HydrophobicContact CD1-CD1 3.97Å; I240-I252 HydrophobicContact CG1-CD1 3.87Å; I240-L255 HydrophobicContact CD1-CD2 4.14Å
241	S	91.8	Very high	90.3	Very high	50 Å²	50	46.4 Å²	46.4	35%	0.35	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-70.1	-11	-178.2	55.3	0	0	0	0	113.5	Q239 Y243	Q239-S241 VanDerWaalsContact C-N 3.32Å; Q239-S241 WeakPolarHBondContact CG-OG 3.23Å; Q239-S241 PolarHBondContact O-N 2.88Å; S241-Y243 VanDerWaalsContact C-N 3.28Å; S241-Y243 PolarHBondContact O-N 2.82Å
242	R	92	Very high	90.9	Very high	114 Å²	114	45.3 Å²	45.3	43%	0.43	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-68.3	-27.9	179.5	-173.8	172.1	166.6	68.7	7.4	112.8	R220 Q239 I240	R220-R242 VanDerWaalsContact O-CD 3.25Å; R220-R242 WeakPolarHBondContact O-CD 3.39Å; R220-R242 WeakPolarHBondContact O-CG 3.28Å; R220-R242 PolarHBondContact O-NE 2.81Å; Q239-R242 HydrophobicContact CB-CB 4.18Å; Q239-R242 HydrophobicContact CG-CB 4.12Å; Q239-R242 VanDerWaalsContact O-CB 3.23Å; Q239-R242 WeakPolarHBondContact O-CB 3.32Å; Q239-R242 PolarHBondContact O-N 3.06Å; I240-R242 PolarHBondContact O-N 2.92Å
243	Y	92.3	Very high	91.2	Very high	91 Å²	91	48.7 Å²	48.7	36%	0.357	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132.5	-33.9	-176.4	-176.2	-106.6	0	0	0	113.8	R220 Y221 I240 S241	R220-Y243 HydrophobicContact CB-CD2 3.94Å; R220-Y243 HydrophobicContact CB-CE2 4.5Å; R220-Y243 HydrophobicContact CB-CG 4.02Å; R220-Y243 HydrophobicContact CG-CD2 4.34Å; R220-Y243 VanDerWaalsContact NH1-CE2 3.26Å; R220-Y243 PolarHBondContact NH1-OH 3.04Å; Y221-Y243 AromaticContact CE1-CD1 3.94Å; Y221-Y243 HydrophobicContact CE1-CD1 3.94Å; Y221-Y243 HydrophobicContact CE1-CG 4.46Å; Y221-Y243 AromaticContact CE2-CD1 3.76Å; Y221-Y243 HydrophobicContact CE2-CD1 3.76Å; Y221-Y243 HydrophobicContact CE2-CE1 4.38Å; Y221-Y243 HydrophobicContact CE2-CG 4.39Å; Y221-Y243 AromaticContact CZ-CD1 3.36Å; Y221-Y243 VanDerWaalsContact OH-CD1 3.24Å; Y221-Y243 WeakPolarHBondContact OH-CD1 3.42Å; I240-Y243 PolarHBondContact O-N 2.9Å; S241-Y243 VanDerWaalsContact C-N 3.28Å; S241-Y243 PolarHBondContact O-N 2.82Å
244	L	90.8	Very high	91.4	Very high	16 Å²	16	50.2 Å²	50.2	8%	0.084	24%	0.237	C	C	.	.	S	Bend	trans	-84.4	142.1	178.8	-73.5	170.1	0	0	0	111.8	M194 P215 Y221 I240 I248 Y249 I252	M194-L244 HydrophobicContact CE-CD1 4.06Å; M194-L244 HydrophobicContact SD-CD1 4.34Å; P215-L244 HydrophobicContact CG-CD2 4.36Å; Y221-L244 HydrophobicContact CE1-CD1 3.81Å; Y221-L244 HydrophobicContact CE1-CG 3.72Å; I240-L244 HydrophobicContact CD1-CD1 3.6Å; I240-L244 HydrophobicContact CG1-CD1 3.89Å; I240-L244 PolarHBondContact O-N 2.95Å; I240-L244 VanDerWaalsContact O-N 3.14Å; L244-I248 HydrophobicContact CD2-CG2 4.34Å; L244-Y249 WeakPolarHBondContact O-CD1 3.33Å; L244-I252 HydrophobicContact CD1-CD1 4.44Å
245	N	90.4	Very high	91.6	Very high	110 Å²	110	49.9 Å²	49.9	59%	0.588	24%	0.235	S	C	*	.			trans	-65.2	149.5	174.7	-67	-22	0	0	0	111.2	T247 I248 Y249	N245-T247 VanDerWaalsContact C-N 3.27Å; N245-T247 PolarHBondContact O-N 3.29Å; N245-I248 HydrophobicContact CB-CD1 4.45Å; N245-I248 PolarHBondContact O-N 2.99Å; N245-Y249 WeakPolarHBondContact O-CD1 3.23Å; N245-Y249 PolarHBondContact O-N 3.22Å; N245-Y249 VanDerWaalsContact O-N 3.08Å
246	Q	88.3	Confident	91.6	Very high	114 Å²	114	50 Å²	50	53%	0.533	24%	0.236	S	C	.	.	H	α-helix	trans	-52.8	-41.3	-179.8	-174	169.7	4.5	0	0	114.3	I248 Y249 Q250	Q246-I248 PolarHBondContact O-N 2.84Å; Q246-Y249 HydrophobicContact CB-CE1 3.92Å; Q246-Y249 HydrophobicContact CG-CE1 4.24Å; Q246-Q250 HydrophobicContact CG-CG 4.14Å; Q246-Q250 VanDerWaalsContact NE2-NE2 3.16Å; Q246-Q250 VanDerWaalsContact O-CB 3.32Å; Q246-Q250 WeakPolarHBondContact O-CB 3.48Å; Q246-Q250 VanDerWaalsContact O-CG 3.23Å; Q246-Q250 WeakPolarHBondContact O-CG 3.42Å; Q246-Q250 PolarHBondContact O-N 2.65Å; Q246-Q250 VanDerWaalsContact O-N 3.12Å
247	T	86	Confident	91.6	Very high	90 Å²	90	49.1 Å²	49.1	55%	0.552	23%	0.232	S	C	*	.	H	α-helix	trans	-63.7	-29.2	179.3	54.2	0	0	0	0	113.6	N245 R251	N245-T247 VanDerWaalsContact C-N 3.27Å; N245-T247 PolarHBondContact O-N 3.29Å; T247-R251 WeakPolarHBondContact O-CG 3.43Å; T247-R251 PolarHBondContact O-NE 3.32Å
248	I	86.3	Confident	91.4	Very high	73 Å²	73	49.1 Å²	49.1	37%	0.374	23%	0.232	S	C	.	.	H	α-helix	trans	-85.6	-52.1	-178.9	-59.8	174.4	0	0	0	109.1	L244 N245 Q246 Q250 R251	L244-I248 HydrophobicContact CD2-CG2 4.34Å; N245-I248 HydrophobicContact CB-CD1 4.45Å; N245-I248 PolarHBondContact O-N 2.99Å; Q246-I248 PolarHBondContact O-N 2.84Å; I248-Q250 VanDerWaalsContact C-N 3.32Å; I248-Q250 PolarHBondContact O-N 3.26Å; I248-R251 PolarHBondContact O-N 3.47Å; I248-R251 VanDerWaalsContact O-N 3.14Å
249	Y	88.8	Confident	91.3	Very high	34 Å²	34	49.1 Å²	49.1	13%	0.133	23%	0.232	C	C	.	.	H	α-helix	trans	-69.9	-28.1	-173.3	78.1	-113.6	0	0	0	113.2	W112 I240 L244 N245 Q246 R251 I252	W112-Y249 AromaticContact CD1-CD2 3.98Å; W112-Y249 PolarHBondContact NE1-O 3.32Å; W112-Y249 VanDerWaalsContact NE1-O 3.11Å; I240-Y249 HydrophobicContact CG2-CD2 4.37Å; I240-Y249 HydrophobicContact CG2-CG 4.21Å; L244-Y249 WeakPolarHBondContact O-CD1 3.33Å; N245-Y249 WeakPolarHBondContact O-CD1 3.23Å; N245-Y249 PolarHBondContact O-N 3.22Å; N245-Y249 VanDerWaalsContact O-N 3.08Å; Q246-Y249 HydrophobicContact CB-CE1 3.92Å; Q246-Y249 HydrophobicContact CG-CE1 4.24Å; Y249-R251 PolarHBondContact O-N 3.08Å; Y249-I252 WeakPolarHBondContact O-CB 3.49Å; Y249-I252 PolarHBondContact O-N 2.86Å
250	Q	89.2	Confident	91.1	Very high	68 Å²	68	50.6 Å²	50.6	32%	0.318	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-24.8	174.9	-76.2	178.7	-28.3	0	0	112.9	Q246 I248 I252	Q246-Q250 HydrophobicContact CG-CG 4.14Å; Q246-Q250 VanDerWaalsContact NE2-NE2 3.16Å; Q246-Q250 VanDerWaalsContact O-CB 3.32Å; Q246-Q250 WeakPolarHBondContact O-CB 3.48Å; Q246-Q250 VanDerWaalsContact O-CG 3.23Å; Q246-Q250 WeakPolarHBondContact O-CG 3.42Å; Q246-Q250 PolarHBondContact O-N 2.65Å; Q246-Q250 VanDerWaalsContact O-N 3.12Å; I248-Q250 VanDerWaalsContact C-N 3.32Å; I248-Q250 PolarHBondContact O-N 3.26Å; Q250-I252 VanDerWaalsContact C-N 3.34Å
251	R	89	Confident	91	Very high	133 Å²	133	50.5 Å²	50.5	50%	0.502	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-20	176.4	-65.7	179.2	-173.1	-168	0.1	112.8	Y198 T247 I248 Y249 E253	Y198-R251 PolarHBondContact OH-NH1 3.37Å; Y198-R251 VanDerWaalsContact OH-NH1 3.08Å; T247-R251 WeakPolarHBondContact O-CG 3.43Å; T247-R251 PolarHBondContact O-NE 3.32Å; I248-R251 PolarHBondContact O-N 3.47Å; I248-R251 VanDerWaalsContact O-N 3.14Å; Y249-R251 PolarHBondContact O-N 3.08Å; R251-E253 PolarHBondContact O-N 2.97Å
252	I	91.9	Very high	90.8	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.227	C	C	.	.			trans	-59.6	127.1	-178.2	-60.8	171.8	0	0	0	108.7	W112 M194 D195 I240 L244 Y249 Q250 K254 L255 R548	W112-I252 HydrophobicContact CH2-CG2 4.31Å; W112-I252 HydrophobicContact CZ2-CB 4.03Å; W112-I252 HydrophobicContact CZ2-CG2 3.6Å; W112-I252 WeakPolarHBondContact CZ2-O 3.41Å; M194-I252 HydrophobicContact CB-CD1 4.28Å; M194-I252 HydrophobicContact CB-CG1 4.37Å; M194-I252 HydrophobicContact CB-CG2 4.05Å; M194-I252 HydrophobicContact CG-CD1 4.44Å; M194-I252 HydrophobicContact CG-CG1 4.41Å; M194-I252 HydrophobicContact SD-CD1 3.49Å; M194-I252 WeakPolarHBondContact SD-CD1 3.22Å; M194-I252 HydrophobicContact SD-CG1 3.76Å; D195-I252 CarbonylContact O-C 3.51Å; D195-I252 VanDerWaalsContact O-CA 3.23Å; D195-I252 WeakPolarHBondContact O-CA 3.27Å; I240-I252 HydrophobicContact CD1-CD1 3.97Å; I240-I252 HydrophobicContact CG1-CD1 3.87Å; L244-I252 HydrophobicContact CD1-CD1 4.44Å; Y249-I252 WeakPolarHBondContact O-CB 3.49Å; Y249-I252 PolarHBondContact O-N 2.86Å; Q250-I252 VanDerWaalsContact C-N 3.34Å; I252-K254 VanDerWaalsContact CG2-O 3.28Å; I252-K254 WeakPolarHBondContact CG2-O 3.46Å; I252-L255 HydrophobicContact CD1-CD2 4.47Å; I252-L255 HydrophobicContact CG2-CD2 3.99Å; I252-L255 HydrophobicContact CG2-CG 4.12Å; I252-R548 PolarHBondContact O-NE 2.89Å
253	E	91.6	Very high	90.6	Very high	78 Å²	78	47.3 Å²	47.3	36%	0.364	22%	0.22	S	C	.	.			trans	-94.5	-39	175.6	-66.1	-170	172.9	0	0	110.9	D195 R251 R548	D195-E253 HydrophobicContact CB-CB 4.47Å; D195-E253 PolarHBondContact O-N 2.8Å; R251-E253 PolarHBondContact O-N 2.97Å; E253-R548 PolarHBondContact O-N 3.42Å
254	K	91.8	Very high	90.3	Very high	34 Å²	34	45.6 Å²	45.6	15%	0.148	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	146.3	-174.7	-50.1	-173.7	-166.9	177.8	0	111.5	M194 D195 D208 I252 I546 E547	M194-K254 CarbonylContact C-O 3.57Å; M194-K254 VanDerWaalsContact CA-O 3.27Å; M194-K254 WeakPolarHBondContact CA-O 3.42Å; D195-K254 HydrophobicContact CB-CB 3.98Å; D195-K254 HydrophobicContact CB-CG 4.32Å; D195-K254 PolarHBondContact N-O 3.41Å; D208-K254 IonicContact OD2-NZ 3.39Å; D208-K254 PolarHBondContact OD2-NZ 2.86Å; I252-K254 VanDerWaalsContact CG2-O 3.28Å; I252-K254 WeakPolarHBondContact CG2-O 3.46Å; K254-I546 CarbonylContact C-O 3.57Å; K254-I546 VanDerWaalsContact CA-O 3.31Å; K254-I546 WeakPolarHBondContact CA-O 3.38Å; K254-E547 HydrophobicContact CD-CB 4.34Å; K254-E547 HydrophobicContact CD-CG 4.24Å; K254-E547 VanDerWaalsContact CE-OE2 3.3Å; K254-E547 WeakPolarHBondContact CE-OE2 3.33Å; K254-E547 HydrophobicContact CG-CB 3.92Å; K254-E547 HydrophobicContact CG-CG 3.87Å; K254-E547 IonicContact NZ-OE2 2.68Å
255	L	94.6	Very high	90.3	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	133.6	168.3	-69.2	171.5	0	0	0	108.9	W112 M194 F238 I240 I252 F257 T545 I546	W112-L255 HydrophobicContact CD2-CD1 4.17Å; W112-L255 HydrophobicContact CE3-CD1 3.56Å; W112-L255 HydrophobicContact CE3-CG 4.31Å; W112-L255 HydrophobicContact CH2-CD1 4.2Å; W112-L255 HydrophobicContact CH2-CG 4.07Å; W112-L255 HydrophobicContact CZ3-CB 4.47Å; W112-L255 HydrophobicContact CZ3-CD1 3.58Å; W112-L255 HydrophobicContact CZ3-CG 3.93Å; M194-L255 HydrophobicContact CB-CD2 3.83Å; F238-L255 HydrophobicContact CE1-CD1 3.82Å; I240-L255 HydrophobicContact CD1-CD2 4.14Å; I252-L255 HydrophobicContact CD1-CD2 4.47Å; I252-L255 HydrophobicContact CG2-CD2 3.99Å; I252-L255 HydrophobicContact CG2-CG 4.12Å; L255-F257 HydrophobicContact CB-CE2 3.7Å; L255-F257 HydrophobicContact CB-CZ 4.11Å; L255-F257 HydrophobicContact CD1-CZ 4.31Å; L255-T545 CarbonylContact O-C 3.55Å; L255-T545 WeakPolarHBondContact O-CA 3.43Å; L255-I546 PolarHBondContact N-O 3.06Å; L255-I546 PolarHBondContact O-N 3.41Å
256	V	93.2	Very high	90.1	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.018	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	126.4	179	-179.1	0	0	0	0	109.3	F191 I192 A193 L207 L211 L543 L544 T545	F191-V256 HydrophobicContact CE2-CG1 4.16Å; I192-V256 CarbonylContact C-O 3.4Å; I192-V256 WeakPolarHBondContact CA-O 3.23Å; A193-V256 HydrophobicContact CB-CB 4.47Å; A193-V256 PolarHBondContact N-O 3.14Å; A193-V256 PolarHBondContact O-N 2.87Å; L207-V256 HydrophobicContact CD2-CG1 4.08Å; L211-V256 HydrophobicContact CD1-CB 4.46Å; L211-V256 HydrophobicContact CD1-CG2 3.86Å; L211-V256 HydrophobicContact CD2-CB 4.34Å; L211-V256 HydrophobicContact CD2-CG2 3.63Å; L211-V256 HydrophobicContact CG-CG2 4.43Å; V256-L543 HydrophobicContact CG1-CD2 4.21Å; V256-L544 CarbonylContact C-O 3.44Å; V256-L544 WeakPolarHBondContact CA-O 3.31Å; V256-T545 HydrophobicContact CG2-CG2 4.09Å
257	F	94.9	Very high	90.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	122.1	179.5	-55.3	-99.1	0	0	0	109.1	I115 F189 I192 F238 L255 I259 L543 L544 I546	I115-F257 HydrophobicContact CG1-CZ 4.49Å; I115-F257 HydrophobicContact CG2-CZ 4.39Å; F189-F257 HydrophobicContact CD1-CB 4.34Å; F189-F257 HydrophobicContact CD1-CD1 4.14Å; F189-F257 HydrophobicContact CE1-CB 4.33Å; F189-F257 AromaticContact CE1-CD1 3.78Å; F189-F257 HydrophobicContact CE1-CD1 3.78Å; F189-F257 HydrophobicContact CE1-CG 4.43Å; I192-F257 HydrophobicContact CB-CD1 4.45Å; I192-F257 HydrophobicContact CD1-CD1 3.92Å; I192-F257 HydrophobicContact CD1-CE1 4.01Å; I192-F257 HydrophobicContact CG1-CD1 3.89Å; I192-F257 HydrophobicContact CG1-CE1 4.35Å; I192-F257 HydrophobicContact CG2-CD1 3.83Å; I192-F257 HydrophobicContact CG2-CE1 3.76Å; I192-F257 HydrophobicContact CG2-CZ 4.4Å; F238-F257 HydrophobicContact CB-CE1 4.37Å; F238-F257 AromaticContact CD1-CE1 3.84Å; F238-F257 HydrophobicContact CD1-CE1 3.84Å; F238-F257 AromaticContact CD1-CZ 3.67Å; F238-F257 HydrophobicContact CD1-CZ 3.67Å; F238-F257 HydrophobicContact CD2-CE1 4.16Å; F238-F257 HydrophobicContact CE1-CE1 4.1Å; F238-F257 AromaticContact CE1-CZ 3.84Å; F238-F257 HydrophobicContact CE1-CZ 3.84Å; F238-F257 HydrophobicContact CE2-CE1 4.37Å; F238-F257 AromaticContact CG-CE1 3.85Å; F238-F257 HydrophobicContact CG-CE1 3.85Å; F238-F257 HydrophobicContact CG-CZ 4.16Å; F238-F257 HydrophobicContact CZ-CE1 4.32Å; F238-F257 HydrophobicContact CZ-CZ 4.43Å; L255-F257 HydrophobicContact CB-CE2 3.7Å; L255-F257 HydrophobicContact CB-CZ 4.11Å; L255-F257 HydrophobicContact CD1-CZ 4.31Å; F257-I259 HydrophobicContact CB-CD1 4.43Å; F257-I259 HydrophobicContact CB-CG1 4.04Å; F257-L543 WeakPolarHBondContact O-CA 3.28Å; F257-L544 HydrophobicContact CB-CB 4.26Å; F257-L544 HydrophobicContact CD2-CB 4.44Å; F257-L544 HydrophobicContact CD2-CD2 4.1Å; F257-L544 HydrophobicContact CD2-CG 4.17Å; F257-L544 PolarHBondContact N-O 3.47Å; F257-L544 PolarHBondContact O-N 3.46Å; F257-I546 HydrophobicContact CE2-CD1 4.18Å; F257-I546 HydrophobicContact CE2-CG1 4.48Å
258	G	92.6	Very high	90.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	105.9	164.3	0	0	0	0	0	109.4	F189 Q190 F191	F189-G258 CarbonylContact C-O 3.53Å; F189-G258 WeakPolarHBondContact CA-O 3.31Å; Q190-G258 PolarHBondContact N-O 2.79Å; F191-G258 PolarHBondContact O-N 3.35Å
259	I	93.7	Very high	90.1	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	134.6	-171.6	-60	168.4	0	0	0	110.1	L117 F189 F257 F261 I278 L296 F541 G542 L544	L117-I259 HydrophobicContact CD2-CD1 3.55Å; L117-I259 HydrophobicContact CD2-CG1 4.3Å; F189-I259 HydrophobicContact CD1-CG1 4.48Å; F189-I259 HydrophobicContact CE1-CG1 4.47Å; F257-I259 HydrophobicContact CB-CD1 4.43Å; F257-I259 HydrophobicContact CB-CG1 4.04Å; I259-F261 HydrophobicContact CB-CE2 4.27Å; I259-F261 HydrophobicContact CG2-CD2 4.19Å; I259-F261 HydrophobicContact CG2-CE2 4.02Å; I259-I278 HydrophobicContact CG2-CD1 3.32Å; I259-L296 HydrophobicContact CD1-CD1 3.64Å; I259-F541 WeakPolarHBondContact O-CA 3.2Å; I259-G542 PolarHBondContact N-O 2.93Å; I259-G542 PolarHBondContact O-N 2.87Å; I259-G542 VanDerWaalsContact O-N 3.09Å; I259-L544 HydrophobicContact CD1-CB 3.56Å; I259-L544 HydrophobicContact CD1-CD2 4.13Å
260	K	91.4	Very high	89.4	Confident	49 Å²	49	38.4 Å²	38.4	21%	0.213	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	119.1	169.8	-61.3	176.8	-178.1	172.4	0	108.8	E186 M188 Q190 N540	E186-K260 PolarHBondContact O-NZ 2.96Å; M188-K260 PolarHBondContact O-N 3.12Å; Q190-K260 HydrophobicContact CB-CG 4.43Å; K260-N540 CarbonylContact C-O 3.53Å; K260-N540 WeakPolarHBondContact CA-O 3.41Å
261	F	90.7	Very high	88.2	Confident	1 Å²	1	35.9 Å²	35.9	0%	0.004	17%	0.166	C	C	.	.			trans	-82.9	-28.7	178.6	-78.8	-101.7	0	0	0	112.4	N119 I259 H276 I278 L296 I297 P298 N540	N119-F261 PolarHBondContact ND2-O 2.9Å; I259-F261 HydrophobicContact CB-CE2 4.27Å; I259-F261 HydrophobicContact CG2-CD2 4.19Å; I259-F261 HydrophobicContact CG2-CE2 4.02Å; F261-H276 VanDerWaalsContact C-NE2 3.3Å; F261-H276 WeakPolarHBondContact CB-CE1 3.33Å; F261-H276 PolarHBondContact O-CE1 3.48Å; F261-H276 PolarHBondContact O-NE2 3.46Å; F261-I278 HydrophobicContact CD1-CD1 3.77Å; F261-I278 HydrophobicContact CD1-CG1 3.84Å; F261-I278 HydrophobicContact CD2-CD1 4.31Å; F261-I278 HydrophobicContact CE1-CB 4.04Å; F261-I278 HydrophobicContact CE1-CD1 3.94Å; F261-I278 HydrophobicContact CE1-CG1 3.88Å; F261-I278 HydrophobicContact CE2-CD1 4.46Å; F261-I278 HydrophobicContact CG-CD1 3.95Å; F261-I278 HydrophobicContact CZ-CD1 4.29Å; F261-L296 HydrophobicContact CE1-CB 4.36Å; F261-L296 VanDerWaalsContact CE1-O 3.27Å; F261-L296 WeakPolarHBondContact CE1-O 3.12Å; F261-L296 HydrophobicContact CZ-CB 3.96Å; F261-I297 WeakPolarHBondContact CZ-O 3.47Å; F261-P298 HydrophobicContact CB-CB 4.09Å; F261-P298 HydrophobicContact CD1-CB 4Å; F261-P298 HydrophobicContact CD1-CG 4.19Å; F261-P298 HydrophobicContact CD2-CB 3.73Å; F261-P298 HydrophobicContact CE1-CB 4.38Å; F261-P298 HydrophobicContact CE2-CB 4.14Å; F261-P298 HydrophobicContact CG-CB 3.66Å; F261-P298 HydrophobicContact CG-CG 4.28Å; F261-P298 HydrophobicContact CZ-CB 4.45Å; F261-N540 PolarHBondContact N-O 2.89Å
262	N	87.4	Confident	86.5	Confident	26 Å²	26	32.8 Å²	32.8	14%	0.139	17%	0.165	C	C	.	.			trans	65.6	56.9	177.2	-58.2	-38.4	0	0	0	114.4	D187 Q264 N265 Y266	D187-N262 PolarHBondContact O-ND2 3.43Å; N262-Q264 VanDerWaalsContact C-N 3.27Å; N262-Q264 PolarHBondContact O-N 2.86Å; N262-N265 HydrophobicContact CB-CB 4.19Å; N262-N265 WeakPolarHBondContact CB-ND2 3.45Å; N262-N265 WeakPolarHBondContact O-CB 3.06Å; N262-N265 PolarHBondContact O-N 3.26Å; N262-Y266 PolarHBondContact O-N 2.95Å; N262-Y266 VanDerWaalsContact O-N 3.16Å
263	Y	87.9	Confident	85	Confident	70 Å²	70	39.1 Å²	39.1	28%	0.275	19%	0.19	S	C	.	.	H	α-helix	trans	-58.5	-34.8	-177.1	-176	-115.2	0	0	0	113.6	Y266 L267 H276 N539 N540	Y263-Y266 AromaticContact CD2-CD1 3.9Å; Y263-Y266 HydrophobicContact CD2-CD1 3.9Å; Y263-Y266 AromaticContact CE2-CD1 3.84Å; Y263-Y266 HydrophobicContact CE2-CD1 3.84Å; Y263-Y266 HydrophobicContact CE2-CE1 4.13Å; Y263-Y266 WeakPolarHBondContact O-CB 3.28Å; Y263-Y266 PolarHBondContact O-N 2.97Å; Y263-L267 HydrophobicContact CD1-CD1 4.03Å; Y263-L267 HydrophobicContact CD1-CG 4.39Å; Y263-L267 HydrophobicContact CE1-CD1 3.57Å; Y263-L267 HydrophobicContact CE1-CD2 4.35Å; Y263-L267 HydrophobicContact CE1-CG 4.02Å; Y263-L267 HydrophobicContact CE2-CD2 4.3Å; Y263-L267 HydrophobicContact CE2-CG 4.39Å; Y263-L267 WeakPolarHBondContact O-CG 3.32Å; Y263-L267 PolarHBondContact O-N 2.99Å; Y263-H276 WeakPolarHBondContact CA-CE1 3.32Å; Y263-H276 WeakPolarHBondContact CA-NE2 3.26Å; Y263-H276 AromaticContact CD2-ND1 3.78Å; Y263-H276 PolarHBondContact N-CE1 3.11Å; Y263-H276 PolarHBondContact N-NE2 3.33Å; Y263-N539 HydrophobicContact CD1-CB 4.04Å; Y263-N539 HydrophobicContact CD2-CB 4.39Å; Y263-N539 HydrophobicContact CG-CB 3.92Å; Y263-N540 VanDerWaalsContact CB-OD1 3.26Å; Y263-N540 WeakPolarHBondContact CB-OD1 3.47Å; Y263-N540 PolarHBondContact N-OD1 2.97Å
264	Q	86.8	Confident	83.8	Confident	56 Å²	56	38.6 Å²	38.6	26%	0.262	19%	0.192	S	C	.	.	H	α-helix	trans	-64.1	-41.2	176.2	-63.5	-178.4	-8.7	0	0	112.1	N262 Y266 L267 I268 E536	N262-Q264 VanDerWaalsContact C-N 3.27Å; N262-Q264 PolarHBondContact O-N 2.86Å; Q264-Y266 VanDerWaalsContact C-N 3.33Å; Q264-L267 PolarHBondContact O-N 3.32Å; Q264-I268 WeakPolarHBondContact O-CD1 3.45Å; Q264-I268 WeakPolarHBondContact O-CG1 3.14Å; Q264-I268 PolarHBondContact O-N 2.02Å; Q264-E536 PolarHBondContact NE2-OE1 2.88Å
265	N	89.3	Confident	82.9	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64.3	-41.6	175.6	-67.1	-33.2	0	0	0	111	A122 Y124 N125 V126 Y127 N262 L267 I268 I269	A122-N265 HydrophobicContact CB-CB 3.79Å; Y124-N265 PolarHBondContact O-ND2 3.39Å; N125-N265 WeakPolarHBondContact CA-ND2 3.05Å; V126-N265 HydrophobicContact CG2-CB 4.01Å; V126-N265 WeakPolarHBondContact CG2-OD1 3.5Å; V126-N265 PolarHBondContact N-OD1 3.14Å; Y127-N265 WeakPolarHBondContact CB-OD1 3.46Å; Y127-N265 VanDerWaalsContact CD1-OD1 3.32Å; Y127-N265 WeakPolarHBondContact CD1-OD1 3.49Å; Y127-N265 PolarHBondContact N-OD1 2.79Å; N262-N265 HydrophobicContact CB-CB 4.19Å; N262-N265 WeakPolarHBondContact CB-ND2 3.45Å; N262-N265 WeakPolarHBondContact O-CB 3.06Å; N262-N265 PolarHBondContact O-N 3.26Å; N265-L267 VanDerWaalsContact C-N 3.35Å; N265-L267 PolarHBondContact O-N 2.85Å; N265-I268 PolarHBondContact O-N 3.38Å; N265-I269 WeakPolarHBondContact O-CB 3.3Å; N265-I269 WeakPolarHBondContact O-CG1 3.25Å; N265-I269 PolarHBondContact O-N 2.88Å
266	Y	87.5	Confident	82.3	Confident	39 Å²	39	40.9 Å²	40.9	15%	0.153	21%	0.211	C	C	.	.	H	α-helix	trans	-56.4	-46.4	174.1	166.5	-96.6	0	0	0	112.4	M121 N262 Y263 Q264 I268 N270 S271 T274 H276	M121-Y266 HydrophobicContact CB-CD2 3.8Å; M121-Y266 HydrophobicContact CB-CE2 4.2Å; M121-Y266 HydrophobicContact CG-CE2 4.49Å; N262-Y266 PolarHBondContact O-N 2.95Å; N262-Y266 VanDerWaalsContact O-N 3.16Å; Y263-Y266 AromaticContact CD2-CD1 3.9Å; Y263-Y266 HydrophobicContact CD2-CD1 3.9Å; Y263-Y266 AromaticContact CE2-CD1 3.84Å; Y263-Y266 HydrophobicContact CE2-CD1 3.84Å; Y263-Y266 HydrophobicContact CE2-CE1 4.13Å; Y263-Y266 WeakPolarHBondContact O-CB 3.28Å; Y263-Y266 PolarHBondContact O-N 2.97Å; Q264-Y266 VanDerWaalsContact C-N 3.33Å; Y266-I268 VanDerWaalsContact C-N 3.34Å; Y266-I268 PolarHBondContact O-N 3.07Å; Y266-N270 PolarHBondContact O-N 2.88Å; Y266-N270 VanDerWaalsContact O-N 3.08Å; Y266-S271 WeakPolarHBondContact CD2-OG 3.48Å; Y266-S271 WeakPolarHBondContact CE2-OG 3.27Å; Y266-T274 PolarHBondContact OH-O 2.91Å; Y266-T274 VanDerWaalsContact OH-O 3.07Å; Y266-H276 WeakPolarHBondContact CB-CD2 3.4Å; Y266-H276 HydrophobicContact CD1-CB 4.16Å; Y266-H276 HydrophobicContact CD2-CB 4.05Å; Y266-H276 AromaticContact CD2-CD2 3.79Å; Y266-H276 HydrophobicContact CE1-CB 4.28Å; Y266-H276 HydrophobicContact CE2-CB 4.13Å; Y266-H276 HydrophobicContact CG-CB 4.06Å; Y266-H276 AromaticContact CG-CD2 3.56Å
267	L	87	Confident	82.2	Confident	96 Å²	96	41.6 Å²	41.6	50%	0.503	21%	0.214	S	C	.	.	H	α-helix	trans	-63.5	-37.3	176.7	-69.2	179.3	0	0	0	112.8	Y263 Q264 N265	Y263-L267 HydrophobicContact CD1-CD1 4.03Å; Y263-L267 HydrophobicContact CD1-CG 4.39Å; Y263-L267 HydrophobicContact CE1-CD1 3.57Å; Y263-L267 HydrophobicContact CE1-CD2 4.35Å; Y263-L267 HydrophobicContact CE1-CG 4.02Å; Y263-L267 HydrophobicContact CE2-CD2 4.3Å; Y263-L267 HydrophobicContact CE2-CG 4.39Å; Y263-L267 WeakPolarHBondContact O-CG 3.32Å; Y263-L267 PolarHBondContact O-N 2.99Å; Q264-L267 PolarHBondContact O-N 3.32Å; N265-L267 VanDerWaalsContact C-N 3.35Å; N265-L267 PolarHBondContact O-N 2.85Å
268	I	87.3	Confident	82.1	Confident	47 Å²	47	41.6 Å²	41.6	24%	0.241	21%	0.214	C	C	.	.	H	α-helix	trans	-71.2	-44.8	179.6	-71.1	163.4	0	0	0	111.8	V126 Y132 Q264 N265 Y266 N270	V126-I268 HydrophobicContact CB-CG2 4.39Å; V126-I268 HydrophobicContact CG2-CB 3.93Å; V126-I268 HydrophobicContact CG2-CD1 4.25Å; V126-I268 HydrophobicContact CG2-CG2 3.6Å; Y132-I268 HydrophobicContact CD2-CD1 3.85Å; Y132-I268 HydrophobicContact CD2-CG1 4.11Å; Y132-I268 HydrophobicContact CD2-CG2 3.75Å; Y132-I268 HydrophobicContact CE2-CB 4.43Å; Y132-I268 HydrophobicContact CE2-CD1 4.15Å; Y132-I268 HydrophobicContact CE2-CG1 3.93Å; Y132-I268 HydrophobicContact CE2-CG2 3.7Å; Q264-I268 WeakPolarHBondContact O-CD1 3.45Å; Q264-I268 WeakPolarHBondContact O-CG1 3.14Å; Q264-I268 PolarHBondContact O-N 2.02Å; N265-I268 PolarHBondContact O-N 3.38Å; Y266-I268 VanDerWaalsContact C-N 3.34Å; Y266-I268 PolarHBondContact O-N 3.07Å; I268-N270 PolarHBondContact O-N 2.83Å
269	I	85.5	Confident	82.2	Confident	7 Å²	7	41.9 Å²	41.9	4%	0.036	22%	0.216	C	C	.	.	H	α-helix	trans	-70.2	-21.4	-179.2	-66.3	167.6	0	0	0	110.5	V126 W135 N265 S271	V126-I269 HydrophobicContact CG2-CD1 4.12Å; V126-I269 HydrophobicContact CG2-CG1 3.97Å; W135-I269 HydrophobicContact CH2-CG1 4.29Å; W135-I269 HydrophobicContact CZ2-CB 4.29Å; W135-I269 HydrophobicContact CZ2-CG1 3.78Å; W135-I269 HydrophobicContact CZ2-CG2 4.07Å; N265-I269 WeakPolarHBondContact O-CB 3.3Å; N265-I269 WeakPolarHBondContact O-CG1 3.25Å; N265-I269 PolarHBondContact O-N 2.88Å; I269-S271 PolarHBondContact O-N 2.93Å
270	N	74.4	Confident	82.2	Confident	96 Å²	96	41.8 Å²	41.8	51%	0.513	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	50.7	177.4	-172.2	40.1	0	0	0	112.2	Y266 I268 S272	Y266-N270 PolarHBondContact O-N 2.88Å; Y266-N270 VanDerWaalsContact O-N 3.08Å; I268-N270 PolarHBondContact O-N 2.83Å; N270-S272 PolarHBondContact O-N 3.19Å
271	S	64.2	Low	82.4	Confident	15 Å²	15	40.4 Å²	40.4	11%	0.105	21%	0.209	C	C	.	.			trans	-76.7	69.6	171.4	63.2	0	0	0	0	109.7	M121 Y266 I269 Y273	M121-S271 WeakPolarHBondContact SD-CB 3.39Å; M121-S271 PolarHBondContact SD-OG 2.85Å; M121-S271 VanDerWaalsContact SD-OG 3.39Å; Y266-S271 WeakPolarHBondContact CD2-OG 3.48Å; Y266-S271 WeakPolarHBondContact CE2-OG 3.27Å; I269-S271 PolarHBondContact O-N 2.93Å; S271-Y273 PolarHBondContact O-N 3Å
272	S	53.1	Low	82.6	Confident	69 Å²	69	42.1 Å²	42.1	48%	0.483	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	2.8	-165.5	47.1	0	0	0	0	116.6	N270	N270-S272 PolarHBondContact O-N 3.19Å
273	Y	61	Low	82.8	Confident	132 Å²	132	41.7 Å²	41.7	52%	0.518	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-9.8	-166.9	-55	-79.7	0	0	0	114.9	D161 S271	D161-Y273 WeakPolarHBondContact OD1-CE1 3.22Å; D161-Y273 VanDerWaalsContact OD1-CZ 3.22Å; D161-Y273 PolarHBondContact OD1-OH 3.3Å; S271-Y273 PolarHBondContact O-N 3Å
274	T	66.2	Low	83.1	Confident	67 Å²	67	39.3 Å²	39.3	41%	0.411	21%	0.208	S	C	.	.	S	Bend	trans	-145.5	160.6	-178.1	66.8	0	0	0	0	112.8	M121 Y266	M121-T274 PolarHBondContact SD-OG1 3.29Å; Y266-T274 PolarHBondContact OH-O 2.91Å; Y266-T274 VanDerWaalsContact OH-O 3.07Å
275	S	71.7	Confident	83.3	Confident	69 Å²	69	37.6 Å²	37.6	48%	0.483	20%	0.201	S	C	.	.			trans	-58	145.7	172.3	31.2	0	0	0	0	112.3	Q277	S275-Q277 VanDerWaalsContact C-N 3.26Å; S275-Q277 PolarHBondContact O-N 2.8Å; S275-Q277 PolarHBondContact OG-OE1 2.83Å
276	H	83.1	Confident	83.5	Confident	16 Å²	16	40.2 Å²	40.2	7%	0.074	22%	0.216	C	C	.	.	S	Bend	trans	-68.5	82.9	171.2	178.8	-126.4	0	0	0	110.3	F261 Y263 Y266 P298 N539	F261-H276 VanDerWaalsContact C-NE2 3.3Å; F261-H276 WeakPolarHBondContact CB-CE1 3.33Å; F261-H276 PolarHBondContact O-CE1 3.48Å; F261-H276 PolarHBondContact O-NE2 3.46Å; Y263-H276 WeakPolarHBondContact CA-CE1 3.32Å; Y263-H276 WeakPolarHBondContact CA-NE2 3.26Å; Y263-H276 AromaticContact CD2-ND1 3.78Å; Y263-H276 PolarHBondContact N-CE1 3.11Å; Y263-H276 PolarHBondContact N-NE2 3.33Å; Y266-H276 WeakPolarHBondContact CB-CD2 3.4Å; Y266-H276 HydrophobicContact CD1-CB 4.16Å; Y266-H276 HydrophobicContact CD2-CB 4.05Å; Y266-H276 AromaticContact CD2-CD2 3.79Å; Y266-H276 HydrophobicContact CE1-CB 4.28Å; Y266-H276 HydrophobicContact CE2-CB 4.13Å; Y266-H276 HydrophobicContact CG-CB 4.06Å; Y266-H276 AromaticContact CG-CD2 3.56Å; H276-P298 VanDerWaalsContact O-CD 3.29Å; H276-P298 WeakPolarHBondContact O-CD 3.21Å; H276-N539 PolarHBondContact CE1-O 3.18Å; H276-N539 PolarHBondContact ND1-O 3.37Å
277	Q	90.5	Very high	83.7	Confident	18 Å²	18	40.4 Å²	40.4	8%	0.084	22%	0.218	C	C	.	.			trans	-125.1	157.6	-174.9	72.4	-170.7	30.1	0	0	111.3	S275 E295 L296 I297	S275-Q277 VanDerWaalsContact C-N 3.26Å; S275-Q277 PolarHBondContact O-N 2.8Å; S275-Q277 PolarHBondContact OG-OE1 2.83Å; Q277-E295 PolarHBondContact NE2-OE1 2.82Å; Q277-L296 VanDerWaalsContact CA-O 3.24Å; Q277-L296 WeakPolarHBondContact CA-O 3.42Å; Q277-L296 VanDerWaalsContact CB-O 3.25Å; Q277-L296 WeakPolarHBondContact CB-O 3.46Å; Q277-I297 HydrophobicContact CB-CG2 4.36Å
278	I	93.4	Very high	84.1	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	130.9	173.2	-71	171.7	0	0	0	107.8	L117 C118 N119 I259 F261 L296	L117-I278 HydrophobicContact CB-CG2 4.16Å; L117-I278 HydrophobicContact CD2-CG2 3.82Å; L117-I278 HydrophobicContact CG-CG2 4.49Å; C118-I278 WeakPolarHBondContact O-CG2 3.48Å; N119-I278 HydrophobicContact CB-CG1 4.13Å; I259-I278 HydrophobicContact CG2-CD1 3.32Å; F261-I278 HydrophobicContact CD1-CD1 3.77Å; F261-I278 HydrophobicContact CD1-CG1 3.84Å; F261-I278 HydrophobicContact CD2-CD1 4.31Å; F261-I278 HydrophobicContact CE1-CB 4.04Å; F261-I278 HydrophobicContact CE1-CD1 3.94Å; F261-I278 HydrophobicContact CE1-CG1 3.88Å; F261-I278 HydrophobicContact CE2-CD1 4.46Å; F261-I278 HydrophobicContact CG-CD1 3.95Å; F261-I278 HydrophobicContact CZ-CD1 4.29Å; I278-L296 HydrophobicContact CB-CB 4.35Å; I278-L296 HydrophobicContact CG2-CD1 4.38Å; I278-L296 PolarHBondContact N-O 2.76Å; I278-L296 WeakPolarHBondContact O-CB 3.27Å; I278-L296 PolarHBondContact O-N 3.34Å
279	D	93.4	Very high	84.2	Confident	5 Å²	5	34.8 Å²	34.8	3%	0.027	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	124.6	176.3	-75.9	60	0	0	0	109.6	L117 C118 K229 Y281 S293	L117-D279 WeakPolarHBondContact CA-O 3.25Å; C118-D279 HydrophobicContact CB-CB 4.21Å; C118-D279 PolarHBondContact N-O 3.5Å; C118-D279 PolarHBondContact O-N 3.04Å; K229-D279 IonicContact NZ-OD1 2.7Å; K229-D279 PolarHBondContact NZ-OD1 2.77Å; K229-D279 IonicContact NZ-OD2 3.82Å; K229-D279 PolarHBondContact NZ-OD2 3.3Å; D279-Y281 HydrophobicContact CB-CE2 3.95Å; D279-S293 WeakPolarHBondContact OD2-CB 3.34Å; D279-S293 PolarHBondContact OD2-OG 2.92Å
280	L	95.4	Very high	84	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	129.2	174.4	167.6	68.3	0	0	0	110	I115 I116 L117 I282 I294 L296 I304 L544	I115-L280 HydrophobicContact CG2-CD1 3.6Å; I116-L280 CarbonylContact O-C 3.51Å; I116-L280 WeakPolarHBondContact O-CA 3.33Å; L117-L280 HydrophobicContact CD1-CD1 4.49Å; L117-L280 HydrophobicContact CG-CD1 4.17Å; L280-I282 HydrophobicContact CD1-CG1 4.35Å; L280-I282 HydrophobicContact CD2-CD1 4.5Å; L280-I282 HydrophobicContact CG-CG1 4.34Å; L280-I294 HydrophobicContact CB-CB 4.07Å; L280-I294 WeakPolarHBondContact CB-O 3.16Å; L280-I294 HydrophobicContact CD2-CB 4.26Å; L280-I294 HydrophobicContact CD2-CD1 4.37Å; L280-I294 HydrophobicContact CD2-CG2 4.22Å; L280-I294 HydrophobicContact CG-CB 4.33Å; L280-I294 PolarHBondContact N-O 2.81Å; L280-I294 PolarHBondContact O-N 3.07Å; L280-L296 HydrophobicContact CB-CD1 3.96Å; L280-L296 HydrophobicContact CB-CD2 4.33Å; L280-L296 HydrophobicContact CB-CG 3.98Å; L280-L296 HydrophobicContact CD2-CD1 4.41Å; L280-L296 HydrophobicContact CD2-CD2 4.07Å; L280-I304 HydrophobicContact CD2-CD1 3.42Å; L280-I304 VanDerWaalsContact CD2-CD1 3.42Å; L280-L544 HydrophobicContact CD1-CD2 3.96Å; L280-L544 HydrophobicContact CD2-CD1 3.72Å; L280-L544 HydrophobicContact CD2-CD2 3.89Å; L280-L544 HydrophobicContact CD2-CG 4.47Å
281	Y	94.6	Very high	83.8	Confident	19 Å²	19	40.8 Å²	40.8	8%	0.075	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	141.7	167.5	-50	-93.6	0	0	0	109.9	I116 L227 D279 P289 N290 S293	I116-Y281 HydrophobicContact CB-CD2 4.44Å; I116-Y281 HydrophobicContact CG2-CD2 4.44Å; I116-Y281 PolarHBondContact N-O 3.32Å; I116-Y281 PolarHBondContact O-N 3.42Å; L227-Y281 HydrophobicContact CD1-CD2 4.21Å; L227-Y281 HydrophobicContact CD1-CE2 3.83Å; D279-Y281 HydrophobicContact CB-CE2 3.95Å; Y281-P289 HydrophobicContact CD1-CB 3.75Å; Y281-P289 HydrophobicContact CD2-CB 4.18Å; Y281-P289 HydrophobicContact CE1-CB 4.36Å; Y281-P289 HydrophobicContact CG-CB 3.63Å; Y281-P289 HydrophobicContact CG-CG 4.49Å; Y281-N290 VanDerWaalsContact CD1-O 3.3Å; Y281-N290 WeakPolarHBondContact CD1-O 3.38Å; Y281-N290 WeakPolarHBondContact CE1-O 3.12Å; Y281-S293 VanDerWaalsContact CE1-CB 3.45Å; Y281-S293 VanDerWaalsContact CZ-CB 3.5Å
282	I	94.5	Very high	84.7	Confident	37 Å²	37	47.2 Å²	47.2	19%	0.19	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	114.6	176.4	-57.6	-179.3	0	0	0	106.2	P113 I115 L280 I294 I304 L306 Y457	P113-I282 HydrophobicContact CB-CG2 3.64Å; P113-I282 HydrophobicContact CG-CG2 3.61Å; I115-I282 HydrophobicContact CD1-CG1 4.14Å; I115-I282 HydrophobicContact CD1-CG2 4.16Å; L280-I282 HydrophobicContact CD1-CG1 4.35Å; L280-I282 HydrophobicContact CD2-CD1 4.5Å; L280-I282 HydrophobicContact CG-CG1 4.34Å; I282-I294 HydrophobicContact CD1-CD1 4.39Å; I282-I304 HydrophobicContact CD1-CD1 4.29Å; I282-I304 HydrophobicContact CD1-CG2 4.16Å; I282-L306 HydrophobicContact CD1-CD1 4.24Å; I282-L306 HydrophobicContact CD1-CD2 3.8Å; I282-L306 HydrophobicContact CG2-CD1 3.99Å; I282-L306 HydrophobicContact CG2-CD2 4.39Å; I282-Y457 HydrophobicContact CG2-CD2 4.48Å; I282-Y457 HydrophobicContact CG2-CG 4.47Å
283	T	93.1	Very high	86.5	Confident	17 Å²	17	45.7 Å²	45.7	10%	0.104	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	163.3	-171.6	64.5	0	0	0	0	111	P113 D114 I116 P289	P113-T283 CarbonylContact C-O 3.58Å; P113-T283 VanDerWaalsContact CA-O 3.31Å; P113-T283 WeakPolarHBondContact CA-O 3.48Å; P113-T283 WeakPolarHBondContact CB-O 3.47Å; D114-T283 PolarHBondContact N-O 3.47Å; D114-T283 PolarHBondContact O-N 2.82Å; D114-T283 VanDerWaalsContact O-N 3.07Å; I116-T283 HydrophobicContact CD1-CG2 3.97Å; I116-T283 WeakPolarHBondContact CD1-OG1 3.31Å; T283-P289 HydrophobicContact CG2-CB 3.96Å
284	L	92.7	Very high	87.9	Confident	21 Å²	21	40.5 Å²	40.5	11%	0.11	22%	0.223	C	C	.	.	S	Bend	trans	-63.3	153	167.5	-74.8	173.3	0	0	0	110.7	N286 H287 I455 Y457	L284-N286 PolarHBondContact O-N 2.8Å; L284-H287 HydrophobicContact CB-CB 4.19Å; L284-H287 VanDerWaalsContact CB-ND1 3.31Å; L284-H287 WeakPolarHBondContact CB-ND1 3.48Å; L284-H287 WeakPolarHBondContact O-CB 3.29Å; L284-H287 PolarHBondContact O-N 2.77Å; L284-H287 PolarHBondContact O-ND1 3.24Å; L284-I455 HydrophobicContact CD1-CB 4.3Å; L284-I455 VanDerWaalsContact CD1-O 3.27Å; L284-I455 WeakPolarHBondContact CD1-O 3.11Å; L284-I455 HydrophobicContact CD2-CB 3.89Å; L284-I455 HydrophobicContact CD2-CG2 3.73Å; L284-Y457 HydrophobicContact CD2-CE2 3.7Å; L284-Y457 HydrophobicContact CG-CE2 4.3Å
285	P	92.1	Very high	89.2	Confident	19 Å²	19	41.4 Å²	41.4	12%	0.123	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	129.3	175.4	-35.6	43	0	0	0	114.2	D114 H287	D114-P285 VanDerWaalsContact OD2-CA 3.29Å; D114-P285 WeakPolarHBondContact OD2-CA 3.43Å; P285-H287 PolarHBondContact O-N 3.05Å; P285-H287 PolarHBondContact O-ND1 2.05Å
286	N	92.4	Very high	90.2	Very high	56 Å²	56	38.1 Å²	38.1	30%	0.299	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	26.7	-178.7	-49.7	-37.8	0	0	0	114.6	D114 L284 I355 Y356	D114-N286 PolarHBondContact OD2-N 3.07Å; L284-N286 PolarHBondContact O-N 2.8Å; N286-I355 HydrophobicContact CB-CD1 4.48Å; N286-I355 CarbonylContact O-C 3.6Å; N286-I355 WeakPolarHBondContact O-CA 3.29Å; N286-Y356 HydrophobicContact CB-CD2 4.41Å; N286-Y356 PolarHBondContact O-N 3.33Å
287	H	93.1	Very high	90.7	Very high	43 Å²	43	39.2 Å²	39.2	20%	0.199	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-100.4	144.7	173.7	-69.8	58.1	0	0	0	111.2	L284 P285 Y356	L284-H287 HydrophobicContact CB-CB 4.19Å; L284-H287 VanDerWaalsContact CB-ND1 3.31Å; L284-H287 WeakPolarHBondContact CB-ND1 3.48Å; L284-H287 WeakPolarHBondContact O-CB 3.29Å; L284-H287 PolarHBondContact O-N 2.77Å; L284-H287 PolarHBondContact O-ND1 3.24Å; P285-H287 PolarHBondContact O-N 3.05Å; P285-H287 PolarHBondContact O-ND1 2.05Å; H287-Y356 CarbonylContact C-O 3.53Å; H287-Y356 WeakPolarHBondContact CA-O 3.25Å; H287-Y356 AromaticContact CE1-CD2 3.92Å
288	F	93.6	Very high	90.8	Very high	17 Å²	17	39.3 Å²	39.3	8%	0.075	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-71.9	133.9	174.3	-163.3	-88.7	0	0	0	109.7	Q225 L227 L344 I355 Y356 L361 P383	Q225-F288 VanDerWaalsContact NE2-CE2 3.32Å; L227-F288 HydrophobicContact CD2-CE1 4.22Å; L227-F288 HydrophobicContact CD2-CE2 3.84Å; L227-F288 HydrophobicContact CD2-CZ 3.67Å; F288-L344 HydrophobicContact CD2-CD1 3.8Å; F288-L344 HydrophobicContact CE2-CD1 4.03Å; F288-I355 HydrophobicContact CB-CG2 3.79Å; F288-I355 HydrophobicContact CD2-CG2 4.28Å; F288-Y356 PolarHBondContact N-O 3.24Å; F288-L361 HydrophobicContact CB-CD2 3.69Å; F288-L361 HydrophobicContact CD1-CD1 4.09Å; F288-L361 HydrophobicContact CD2-CD1 3.71Å; F288-L361 HydrophobicContact CD2-CD2 4.06Å; F288-L361 HydrophobicContact CE1-CD1 4.2Å; F288-L361 HydrophobicContact CE2-CD1 3.83Å; F288-L361 HydrophobicContact CG-CD1 3.87Å; F288-L361 HydrophobicContact CG-CD2 3.88Å; F288-L361 HydrophobicContact CG-CG 4.38Å; F288-L361 HydrophobicContact CZ-CD1 4.08Å; F288-P383 HydrophobicContact CZ-CG 4.41Å
289	P	90.9	Very high	90.6	Very high	8 Å²	8	39.3 Å²	39.3	5%	0.052	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-69.9	142.8	-179.7	25.7	-31.7	0	0	0	112.7	I116 L227 Y281 T283	I116-P289 HydrophobicContact CD1-CB 4.09Å; I116-P289 HydrophobicContact CD1-CG 4.02Å; L227-P289 HydrophobicContact CD1-CB 4.4Å; L227-P289 HydrophobicContact CD1-CG 3.37Å; L227-P289 HydrophobicContact CD2-CG 3.39Å; L227-P289 HydrophobicContact CG-CG 4.01Å; Y281-P289 HydrophobicContact CD1-CB 3.75Å; Y281-P289 HydrophobicContact CD2-CB 4.18Å; Y281-P289 HydrophobicContact CE1-CB 4.36Å; Y281-P289 HydrophobicContact CG-CB 3.63Å; Y281-P289 HydrophobicContact CG-CG 4.49Å; T283-P289 HydrophobicContact CG2-CB 3.96Å
290	N	80.6	Confident	90.6	Very high	110 Å²	110	41.6 Å²	41.6	59%	0.588	22%	0.216	S	C	*	.	P	Polyproline II helix	trans	-75.8	167.2	171.4	-67.3	-8.8	0	0	0	111	Y281 N292	Y281-N290 VanDerWaalsContact CD1-O 3.3Å; Y281-N290 WeakPolarHBondContact CD1-O 3.38Å; Y281-N290 WeakPolarHBondContact CE1-O 3.12Å; N290-N292 VanDerWaalsContact C-N 3.29Å; N290-N292 PolarHBondContact O-N 3.32Å
291	I	70.8	Confident	90.4	Very high	119 Å²	119	43.2 Å²	43.2	61%	0.61	23%	0.225	S	C	*	.	S	Bend	trans	-64.1	-29.1	-173.8	-62.1	165.8	0	0	0	113.3	S293	I291-S293 PolarHBondContact O-N 2.9Å; I291-S293 VanDerWaalsContact O-N 3.11Å
292	N	83.6	Confident	90.4	Very high	149 Å²	149	42.4 Å²	42.4	80%	0.797	22%	0.222	S	C	*	.			trans	-78.1	98.9	-175.5	-63.1	-13.5	0	0	0	111.7	N290	N290-N292 VanDerWaalsContact C-N 3.29Å; N290-N292 PolarHBondContact O-N 3.32Å
293	S	89.3	Confident	90.4	Very high	37 Å²	37	42.7 Å²	42.7	26%	0.259	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-88.4	156.4	173.5	56.4	0	0	0	0	112.8	D279 Y281 I291	D279-S293 WeakPolarHBondContact OD2-CB 3.34Å; D279-S293 PolarHBondContact OD2-OG 2.92Å; Y281-S293 VanDerWaalsContact CE1-CB 3.45Å; Y281-S293 VanDerWaalsContact CZ-CB 3.5Å; I291-S293 PolarHBondContact O-N 2.9Å; I291-S293 VanDerWaalsContact O-N 3.11Å
294	I	91.6	Very high	90.5	Very high	23 Å²	23	41.9 Å²	41.9	12%	0.118	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	118.6	165.5	-62.9	174.7	0	0	0	107.7	L280 I282 L296 I304 I462	L280-I294 HydrophobicContact CB-CB 4.07Å; L280-I294 WeakPolarHBondContact CB-O 3.16Å; L280-I294 HydrophobicContact CD2-CB 4.26Å; L280-I294 HydrophobicContact CD2-CD1 4.37Å; L280-I294 HydrophobicContact CD2-CG2 4.22Å; L280-I294 HydrophobicContact CG-CB 4.33Å; L280-I294 PolarHBondContact N-O 2.81Å; L280-I294 PolarHBondContact O-N 3.07Å; I282-I294 HydrophobicContact CD1-CD1 4.39Å; I294-L296 HydrophobicContact CG2-CD2 4.18Å; I294-L296 PolarHBondContact O-N 3.42Å; I294-I304 HydrophobicContact CD1-CD1 3.95Å; I294-I304 HydrophobicContact CG2-CD1 4.41Å; I294-I462 HydrophobicContact CB-CD1 4.16Å; I294-I462 HydrophobicContact CD1-CD1 3.97Å; I294-I462 HydrophobicContact CD1-CG1 4.25Å; I294-I462 HydrophobicContact CG1-CD1 3.88Å; I294-I462 HydrophobicContact CG2-CD1 3.35Å; I294-I462 HydrophobicContact CG2-CG1 4.01Å
295	E	91.9	Very high	90.6	Very high	87 Å²	87	44.5 Å²	44.5	41%	0.407	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	119	178.1	-56.5	179.6	152	0	0	110.5	Q277 R464	Q277-E295 PolarHBondContact NE2-OE1 2.82Å; E295-R464 PolarHBondContact O-NH2 2.88Å
296	L	94.4	Very high	90.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	139.4	169.5	-51.7	-179.2	0	0	0	108.9	L117 I259 F261 Q277 I278 L280 I294 H302 L544	L117-L296 HydrophobicContact CD2-CD1 3.78Å; I259-L296 HydrophobicContact CD1-CD1 3.64Å; F261-L296 HydrophobicContact CE1-CB 4.36Å; F261-L296 VanDerWaalsContact CE1-O 3.27Å; F261-L296 WeakPolarHBondContact CE1-O 3.12Å; F261-L296 HydrophobicContact CZ-CB 3.96Å; Q277-L296 VanDerWaalsContact CA-O 3.24Å; Q277-L296 WeakPolarHBondContact CA-O 3.42Å; Q277-L296 VanDerWaalsContact CB-O 3.25Å; Q277-L296 WeakPolarHBondContact CB-O 3.46Å; I278-L296 HydrophobicContact CB-CB 4.35Å; I278-L296 HydrophobicContact CG2-CD1 4.38Å; I278-L296 PolarHBondContact N-O 2.76Å; I278-L296 WeakPolarHBondContact O-CB 3.27Å; I278-L296 PolarHBondContact O-N 3.34Å; L280-L296 HydrophobicContact CB-CD1 3.96Å; L280-L296 HydrophobicContact CB-CD2 4.33Å; L280-L296 HydrophobicContact CB-CG 3.98Å; L280-L296 HydrophobicContact CD2-CD1 4.41Å; L280-L296 HydrophobicContact CD2-CD2 4.07Å; I294-L296 HydrophobicContact CG2-CD2 4.18Å; I294-L296 PolarHBondContact O-N 3.42Å; L296-H302 HydrophobicContact CD2-CB 3.89Å; L296-L544 HydrophobicContact CD1-CB 4.48Å; L296-L544 HydrophobicContact CD1-CD2 4.1Å; L296-L544 HydrophobicContact CD2-CD1 4.2Å
297	I	92.7	Very high	90.8	Very high	39 Å²	39	41.9 Å²	41.9	20%	0.2	21%	0.212	C	C	.	.			trans	-123.1	148.3	179.1	52.3	170.7	0	0	0	111.4	F261 Q277 Y300 H302	F261-I297 WeakPolarHBondContact CZ-O 3.47Å; Q277-I297 HydrophobicContact CB-CG2 4.36Å; I297-Y300 HydrophobicContact CB-CD2 4.47Å; I297-Y300 HydrophobicContact CD1-CD2 3.43Å; I297-Y300 VanDerWaalsContact CD1-CD2 3.43Å; I297-Y300 HydrophobicContact CD1-CE2 3.38Å; I297-Y300 HydrophobicContact CD1-CG 4.09Å; I297-Y300 HydrophobicContact CG1-CD2 3.54Å; I297-Y300 HydrophobicContact CG1-CE2 4.01Å; I297-Y300 HydrophobicContact CG1-CG 4.13Å; I297-H302 PolarHBondContact N-CE1 3.2Å; I297-H302 PolarHBondContact N-NE2 3.02Å; I297-H302 PolarHBondContact O-CE1 3.39Å
298	P	92.3	Very high	91	Very high	20 Å²	20	40 Å²	40	13%	0.13	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	152.3	-179	32.6	-37.5	0	0	0	111.3	F261 H276 Y300 R538 N539	F261-P298 HydrophobicContact CB-CB 4.09Å; F261-P298 HydrophobicContact CD1-CB 4Å; F261-P298 HydrophobicContact CD1-CG 4.19Å; F261-P298 HydrophobicContact CD2-CB 3.73Å; F261-P298 HydrophobicContact CE1-CB 4.38Å; F261-P298 HydrophobicContact CE2-CB 4.14Å; F261-P298 HydrophobicContact CG-CB 3.66Å; F261-P298 HydrophobicContact CG-CG 4.28Å; F261-P298 HydrophobicContact CZ-CB 4.45Å; H276-P298 VanDerWaalsContact O-CD 3.29Å; H276-P298 WeakPolarHBondContact O-CD 3.21Å; P298-Y300 VanDerWaalsContact O-CD2 3.25Å; P298-Y300 WeakPolarHBondContact O-CD2 3.11Å; P298-R538 CarbonylContact C-O 3.24Å; P298-R538 VanDerWaalsContact CB-O 3.29Å; P298-R538 WeakPolarHBondContact CB-O 3.01Å; P298-N539 VanDerWaalsContact CB-O 3.28Å; P298-N539 WeakPolarHBondContact CB-O 2.97Å
299	G	90.1	Very high	91.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.8	7.2	179.8	0	0	0	0	0	115	M467 W471 R538 F541	G299-M467 WeakPolarHBondContact O-CB 3.37Å; G299-M467 PolarHBondContact O-N 2.85Å; G299-W471 PolarHBondContact O-NE1 2.97Å; G299-R538 WeakPolarHBondContact CA-O 2.94Å; G299-R538 PolarHBondContact N-O 3.19Å; G299-F541 PolarHBondContact N-O 3.34Å
300	Y	92.2	Very high	91.3	Very high	52 Å²	52	41.4 Å²	41.4	20%	0.204	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	155.3	-178.6	-66.3	-96.4	0	0	0	112.5	I297 P298 R464 I465 I466 W471 G542 L543	I297-Y300 HydrophobicContact CB-CD2 4.47Å; I297-Y300 HydrophobicContact CD1-CD2 3.43Å; I297-Y300 VanDerWaalsContact CD1-CD2 3.43Å; I297-Y300 HydrophobicContact CD1-CE2 3.38Å; I297-Y300 HydrophobicContact CD1-CG 4.09Å; I297-Y300 HydrophobicContact CG1-CD2 3.54Å; I297-Y300 HydrophobicContact CG1-CE2 4.01Å; I297-Y300 HydrophobicContact CG1-CG 4.13Å; P298-Y300 VanDerWaalsContact O-CD2 3.25Å; P298-Y300 WeakPolarHBondContact O-CD2 3.11Å; Y300-R464 HydrophobicContact CD1-CB 4.49Å; Y300-I465 WeakPolarHBondContact CA-O 3.41Å; Y300-I466 HydrophobicContact CD1-CB 4.19Å; Y300-I466 HydrophobicContact CE1-CB 3.98Å; Y300-I466 HydrophobicContact CE1-CG1 4.13Å; Y300-W471 HydrophobicContact CD2-CZ2 4.1Å; Y300-W471 AromaticContact CE2-CH2 3.95Å; Y300-W471 HydrophobicContact CE2-CH2 3.95Å; Y300-W471 AromaticContact CE2-CZ2 3.31Å; Y300-W471 HydrophobicContact CE2-CZ2 3.31Å; Y300-W471 AromaticContact CZ-CZ2 3.75Å; Y300-G542 WeakPolarHBondContact O-CA 3.25Å; Y300-L543 PolarHBondContact O-N 3.01Å
301	I	92.1	Very high	92	Very high	35 Å²	35	37 Å²	37	18%	0.179	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	120.5	165.7	-48.6	-179.6	0	0	0	107.3	I465 M467 L543	I301-I465 HydrophobicContact CB-CB 4.22Å; I301-I465 PolarHBondContact N-O 3.25Å; I301-I465 PolarHBondContact O-N 3.5Å; I301-M467 HydrophobicContact CD1-CE 4.42Å; I301-M467 HydrophobicContact CD1-CG 4.31Å; I301-M467 HydrophobicContact CG1-CE 3.68Å; I301-M467 HydrophobicContact CG1-CG 3.81Å; I301-L543 CarbonylContact C-O 3.56Å; I301-L543 WeakPolarHBondContact CA-O 3.45Å; I301-L543 HydrophobicContact CB-CB 4.24Å; I301-L543 HydrophobicContact CD1-CD1 4.1Å; I301-L543 HydrophobicContact CG1-CB 4.13Å; I301-L543 HydrophobicContact CG1-CD1 4Å; I301-L543 HydrophobicContact CG2-CB 3.95Å
302	H	94.9	Very high	93.2	Very high	2 Å²	2	34 Å²	34	1%	0.009	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	112	177.3	-59.5	75.4	0	0	0	108.2	L296 I297 L543 L544 T545	L296-H302 HydrophobicContact CD2-CB 3.89Å; I297-H302 PolarHBondContact N-CE1 3.2Å; I297-H302 PolarHBondContact N-NE2 3.02Å; I297-H302 PolarHBondContact O-CE1 3.39Å; H302-L543 PolarHBondContact N-O 3.47Å; H302-L543 PolarHBondContact ND1-O 2.9Å; H302-L544 HydrophobicContact CB-CD1 4.1Å; H302-L544 CarbonylContact O-C 3.56Å; H302-L544 WeakPolarHBondContact O-CA 3.21Å; H302-T545 PolarHBondContact O-N 3.04Å
303	H	94.2	Very high	93.6	Very high	42 Å²	42	29.8 Å²	29.8	19%	0.194	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	121.3	176.8	-171.4	-176.5	0	0	0	109.9	N463 T545 E547	H303-N463 HydrophobicContact CB-CB 4.41Å; H303-N463 PolarHBondContact N-O 3.25Å; H303-N463 PolarHBondContact O-N 2.94Å; H303-T545 WeakPolarHBondContact CA-O 3.47Å; H303-E547 IonicContact CE1-OE2 3.53Å; H303-E547 PolarHBondContact CE1-OE2 3.39Å; H303-E547 VanDerWaalsContact CE1-OE2 3.24Å; H303-E547 IonicContact NE2-OE2 3.52Å; H303-E547 PolarHBondContact NE2-OE2 3.32Å
304	I	95.1	Very high	93.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	122.9	179.7	-56.2	179.4	0	0	0	108.2	L280 I282 I294 L306 H459 I462 L544 T545 I546 E547	L280-I304 HydrophobicContact CD2-CD1 3.42Å; L280-I304 VanDerWaalsContact CD2-CD1 3.42Å; I282-I304 HydrophobicContact CD1-CD1 4.29Å; I282-I304 HydrophobicContact CD1-CG2 4.16Å; I294-I304 HydrophobicContact CD1-CD1 3.95Å; I294-I304 HydrophobicContact CG2-CD1 4.41Å; I304-L306 HydrophobicContact CG2-CD2 3.69Å; I304-L306 HydrophobicContact CG2-CG 4.25Å; I304-H459 HydrophobicContact CG2-CB 4.09Å; I304-I462 HydrophobicContact CD1-CG1 4.2Å; I304-I462 HydrophobicContact CG1-CG1 4.03Å; I304-I462 HydrophobicContact CG1-CG2 4.3Å; I304-L544 HydrophobicContact CD1-CD1 3.86Å; I304-L544 HydrophobicContact CG1-CD1 4.35Å; I304-T545 PolarHBondContact N-O 3.23Å; I304-I546 WeakPolarHBondContact O-CA 3.28Å; I304-E547 PolarHBondContact O-N 2.92Å
305	K	94.8	Very high	92.9	Very high	76 Å²	76	33.4 Å²	33.4	33%	0.33	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	129.3	169	-65.7	-167.2	-178.1	-132.1	0	109.9	H459 L460 E547	K305-H459 WeakPolarHBondContact O-CA 3.31Å; K305-L460 HydrophobicContact CB-CB 4.38Å; K305-L460 HydrophobicContact CB-CD1 4.29Å; K305-L460 PolarHBondContact O-N 3.07Å; K305-E547 CarbonylContact C-O 3.54Å; K305-E547 WeakPolarHBondContact CA-O 3.39Å; K305-E547 WeakPolarHBondContact CE-OE1 3.45Å; K305-E547 HydrophobicContact CG-CB 4.4Å; K305-E547 HydrophobicContact CG-CG 4.48Å; K305-E547 IonicContact NZ-OE1 3.32Å; K305-E547 PolarHBondContact NZ-OE1 3.26Å; K305-E547 IonicContact NZ-OE2 3.79Å
306	L	95.2	Very high	92.1	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	129.5	-176.6	-62.9	-176.6	0	0	0	111.7	F110 P113 I282 I304 H459 I546 E547 N549	F110-L306 HydrophobicContact CZ-CB 4.37Å; P113-L306 HydrophobicContact CG-CD1 3.79Å; I282-L306 HydrophobicContact CD1-CD1 4.24Å; I282-L306 HydrophobicContact CD1-CD2 3.8Å; I282-L306 HydrophobicContact CG2-CD1 3.99Å; I282-L306 HydrophobicContact CG2-CD2 4.39Å; I304-L306 HydrophobicContact CG2-CD2 3.69Å; I304-L306 HydrophobicContact CG2-CG 4.25Å; L306-H459 HydrophobicContact CD2-CB 4.17Å; L306-I546 HydrophobicContact CD1-CG2 3.36Å; L306-I546 HydrophobicContact CG-CG2 3.89Å; L306-E547 PolarHBondContact N-O 2.82Å; L306-N549 WeakPolarHBondContact O-CB 3.49Å; L306-N549 PolarHBondContact O-N 2.87Å
307	E	94.5	Very high	90.8	Very high	20 Å²	20	36.9 Å²	36.9	9%	0.093	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	126.2	168	-174.9	167.2	-128.9	0	0	109.3	L309 Y457 Q458 N549 R554	E307-L309 HydrophobicContact CG-CD2 4.02Å; E307-L309 HydrophobicContact CG-CG 4.38Å; E307-Y457 WeakPolarHBondContact O-CA 3.43Å; E307-Q458 PolarHBondContact N-O 3.25Å; E307-Q458 PolarHBondContact O-N 2.97Å; E307-N549 HydrophobicContact CB-CB 4.3Å; E307-R554 VanDerWaalsContact CD-NH1 3.29Å; E307-R554 IonicContact OE1-CZ 3.6Å; E307-R554 IonicContact OE1-NH1 3.63Å; E307-R554 PolarHBondContact OE1-NH1 3.06Å; E307-R554 IonicContact OE1-NH2 3.95Å; E307-R554 PolarHBondContact OE1-NH2 3.14Å; E307-R554 IonicContact OE2-CZ 3.22Å; E307-R554 IonicContact OE2-NH1 3.89Å; E307-R554 PolarHBondContact OE2-NH1 3.07Å; E307-R554 VanDerWaalsContact OE2-NH1 3.11Å
308	M	95.7	Very high	89.3	Confident	3 Å²	3	38.3 Å²	38.3	2%	0.015	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	124.7	175.7	177.3	-174.2	172	0	0	109.3	E108 F110 Q111 I455 Y457 G553 R554	E108-M308 HydrophobicContact CG-CE 4.06Å; E108-M308 WeakPolarHBondContact OE1-CE 3.28Å; F110-M308 HydrophobicContact CD2-CB 3.63Å; F110-M308 HydrophobicContact CD2-SD 4.44Å; F110-M308 HydrophobicContact CE2-CB 3.77Å; Q111-M308 HydrophobicContact CB-CE 4.21Å; Q111-M308 HydrophobicContact CB-SD 4.16Å; Q111-M308 PolarHBondContact N-SD 3.16Å; Q111-M308 VanDerWaalsContact N-SD 3.37Å; M308-I455 HydrophobicContact CE-CD1 4.24Å; M308-I455 HydrophobicContact CE-CG2 3.74Å; M308-I455 HydrophobicContact CG-CG2 4.12Å; M308-Y457 HydrophobicContact CB-CD1 4.27Å; M308-Y457 HydrophobicContact CB-CE1 4.14Å; M308-Y457 HydrophobicContact CG-CE1 4.24Å; M308-G553 CarbonylContact O-C 3.48Å; M308-G553 VanDerWaalsContact O-CA 3.23Å; M308-G553 WeakPolarHBondContact O-CA 3.39Å; M308-R554 PolarHBondContact O-N 2.83Å
309	L	95.4	Very high	87.5	Confident	3 Å²	3	41.6 Å²	41.6	2%	0.016	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	132.6	178.8	-61.1	178.7	0	0	0	109.6	E307 I455 Y456 Q458 R554 I556	E307-L309 HydrophobicContact CG-CD2 4.02Å; E307-L309 HydrophobicContact CG-CG 4.38Å; L309-I455 WeakPolarHBondContact O-CA 3.2Å; L309-Y456 HydrophobicContact CB-CD1 4.25Å; L309-Y456 HydrophobicContact CB-CE1 3.66Å; L309-Y456 HydrophobicContact CB-CE2 4.03Å; L309-Y456 HydrophobicContact CD1-CE1 4.48Å; L309-Y456 HydrophobicContact CD1-CE2 3.61Å; L309-Y456 WeakPolarHBondContact CD1-OH 3.37Å; L309-Y456 HydrophobicContact CG-CE2 4.33Å; L309-Y456 PolarHBondContact N-O 3.29Å; L309-Y456 PolarHBondContact O-N 3.18Å; L309-Q458 HydrophobicContact CD1-CB 4Å; L309-R554 WeakPolarHBondContact CA-O 3.06Å; L309-R554 HydrophobicContact CD2-CB 3.73Å; L309-R554 HydrophobicContact CD2-CG 4.27Å; L309-I556 HydrophobicContact CD1-CD1 4.37Å
310	R	96.6	Very high	85.7	Confident	51 Å²	51	48.6 Å²	48.6	19%	0.192	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	123.2	169.3	-175.4	166.2	-178.1	170.6	6.2	108.5	E108 D453 D454 I455 R554 L555 I556	E108-R310 VanDerWaalsContact OE1-CD 3.29Å; E108-R310 WeakPolarHBondContact OE1-CD 3.39Å; E108-R310 IonicContact OE1-NH1 2.77Å; E108-R310 IonicContact OE2-CZ 2.92Å; E108-R310 IonicContact OE2-NH1 3.04Å; E108-R310 PolarHBondContact OE2-NH1 2.63Å; R310-D453 IonicContact CZ-OD1 2.61Å; R310-D453 IonicContact CZ-OD2 3.56Å; R310-D453 IonicContact NE-OD1 3.06Å; R310-D453 PolarHBondContact NE-OD1 2.92Å; R310-D453 IonicContact NE-OD2 2.68Å; R310-D453 IonicContact NH2-OD1 2.61Å; R310-D453 PolarHBondContact NH2-OD1 2.97Å; R310-D453 IonicContact NH2-OD2 3.11Å; R310-D453 PolarHBondContact NH2-OD2 3.33Å; R310-D454 CarbonylContact C-O 3.53Å; R310-D454 VanDerWaalsContact CA-O 3.27Å; R310-D454 WeakPolarHBondContact CA-O 3.25Å; R310-I455 HydrophobicContact CB-CG1 4.3Å; R310-I455 HydrophobicContact CG-CG1 4.03Å; R310-R554 PolarHBondContact N-O 3.48Å; R310-L555 HydrophobicContact CB-CD1 4.39Å; R310-L555 HydrophobicContact CG-CD1 4.29Å; R310-L555 CarbonylContact O-C 3.51Å; R310-L555 WeakPolarHBondContact O-CA 3.2Å; R310-L555 WeakPolarHBondContact O-CD1 3.4Å; R310-I556 PolarHBondContact O-N 2.77Å
311	I	94.9	Very high	83.5	Confident	17 Å²	17	52.6 Å²	52.6	9%	0.087	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	129	173.2	-68.8	164.1	0	0	0	109	R313 D453 D454 Y456 I556	I311-R313 HydrophobicContact CG2-CG 3.65Å; I311-D453 WeakPolarHBondContact O-CA 3.03Å; I311-D454 PolarHBondContact N-O 2.77Å; I311-D454 PolarHBondContact O-N 2.97Å; I311-Y456 HydrophobicContact CD1-CD1 4.24Å; I311-Y456 HydrophobicContact CD1-CE1 3.25Å; I311-Y456 HydrophobicContact CG1-CE1 3.67Å; I311-I556 CarbonylContact C-O 3.58Å; I311-I556 VanDerWaalsContact CA-O 3.31Å; I311-I556 WeakPolarHBondContact CA-O 3.48Å; I311-I556 HydrophobicContact CG1-CB 3.86Å; I311-I556 HydrophobicContact CG1-CD1 4.04Å; I311-I556 HydrophobicContact CG1-CG1 4.4Å; I311-I556 HydrophobicContact CG1-CG2 4.28Å
312	K	95.1	Very high	81.3	Confident	58 Å²	58	53.6 Å²	53.6	25%	0.252	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	113.6	167.9	-71.7	-175.1	175.6	176.4	0	109.5	Y107 C452 D453 L555 I556 E558	Y107-K312 PolarHBondContact OH-NZ 3.22Å; K312-C452 CarbonylContact C-O 3.57Å; K312-C452 WeakPolarHBondContact CA-O 3.29Å; K312-D453 WeakPolarHBondContact CE-OD2 3.4Å; K312-L555 HydrophobicContact CB-CD1 4.16Å; K312-L555 HydrophobicContact CD-CD1 3.88Å; K312-L555 HydrophobicContact CG-CD1 3.78Å; K312-I556 PolarHBondContact N-O 2.78Å; K312-E558 PolarHBondContact O-N 3.47Å
313	R	92.3	Very high	78.9	Confident	59 Å²	59	63 Å²	63	22%	0.223	29%	0.285	C	S	.	.			trans	-96.6	154.2	-179	-54.5	-171.5	170	82.2	1.3	111.6	I311 C335 Y451 C452 E558	I311-R313 HydrophobicContact CG2-CG 3.65Å; R313-C335 HydrophobicContact CB-CB 4.25Å; R313-Y451 PolarHBondContact NH1-O 2.84Å; R313-C452 PolarHBondContact N-O 2.86Å; R313-E558 WeakPolarHBondContact CB-OE2 3.47Å; R313-E558 WeakPolarHBondContact CG-OE2 3.45Å
314	I	85.8	Confident	76.4	Confident	36 Å²	36	68.1 Å²	68.1	19%	0.185	31%	0.308	C	S	.	.			trans	-72.1	139.6	171.1	58.7	170.8	0	0	0	110.8	I99 L334 C335 E558	I99-I314 HydrophobicContact CD1-CD1 4.03Å; I99-I314 HydrophobicContact CG1-CD1 4.05Å; I314-L334 HydrophobicContact CD1-CD2 4.3Å; I314-L334 HydrophobicContact CG1-CD2 4.34Å; I314-C335 PolarHBondContact O-SG 3.34Å; I314-C335 VanDerWaalsContact O-SG 3.39Å; I314-E558 VanDerWaalsContact CG2-O 3.27Å; I314-E558 WeakPolarHBondContact CG2-O 3.39Å
315	K	81.3	Confident	74.2	Confident	100 Å²	100	73.3 Å²	73.3	44%	0.435	34%	0.342	S	S	.	.			trans	-81.4	-38.6	-176.6	-61.2	-166	176.1	-164.4	0	113.9	S333 L334 D337	K315-S333 WeakPolarHBondContact O-CA 3.29Å; K315-L334 PolarHBondContact O-N 3.15Å; K315-D337 WeakPolarHBondContact CE-OD1 3.31Å; K315-D337 IonicContact NZ-OD1 2.73Å; K315-D337 PolarHBondContact NZ-OD1 3.26Å; K315-D337 IonicContact NZ-OD2 2.86Å; K315-D337 PolarHBondContact NZ-OD2 2.83Å
316	H	73.9	Confident	71.7	Confident	97 Å²	97	78 Å²	78	45%	0.449	37%	0.365	S	S	.	.			trans	-143	150.7	-172.9	-61.8	-59.6	0	0	0	111.1
317	H	68.6	Low	69.1	Low	64 Å²	64	85.5 Å²	85.5	30%	0.296	40%	0.4	S	S	.	.			trans	-74.4	140	161.7	-72.1	-60.9	0	0	0	110.1	H97 H319	H97-H317 VanDerWaalsContact CB-CE1 3.48Å; H97-H317 WeakPolarHBondContact CB-CE1 3.39Å; H97-H317 WeakPolarHBondContact CB-ND1 3.38Å; H97-H317 AromaticContact CD2-CE1 3.95Å; H97-H317 AromaticContact CD2-CG 3.63Å; H97-H317 AromaticContact CD2-ND1 3.54Å; H97-H317 AromaticContact CG-CE1 3.95Å; H97-H317 AromaticContact CG-ND1 3.49Å; H317-H319 VanDerWaalsContact C-N 3.27Å; H317-H319 PolarHBondContact O-N 3.09Å
318	P	59.6	Low	66.6	Low	69 Å²	69	93.7 Å²	93.7	45%	0.448	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.7	-174.7	-19.1	27	0	0	0	116
319	H	56.3	Low	64	Low	89 Å²	89	99.7 Å²	99.7	41%	0.412	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.2	22	-168.1	-81.5	-70.9	0	0	0	116.9	Y94 H317 H321	Y94-H319 AromaticContact CZ-CD2 3.8Å; Y94-H319 PolarHBondContact OH-CD2 2.92Å; Y94-H319 PolarHBondContact OH-NE2 3.13Å; H317-H319 VanDerWaalsContact C-N 3.27Å; H317-H319 PolarHBondContact O-N 3.09Å; H319-H321 PolarHBondContact O-N 2.6Å
320	Y	50.4	Low	61.8	Low	147 Å²	147	104 Å²	104	58%	0.576	50%	0.496	S	S	*	.			trans	-74.5	94.8	171.9	-163.9	-97.8	0	0	0	111
321	H	46.1	Very low	59.8	Low	136 Å²	136	110 Å²	110	63%	0.63	52%	0.52	S	S	*	.			trans	-89.2	118.5	173.3	-106.7	-73.6	0	0	0	110.6	H319 Y323	H319-H321 PolarHBondContact O-N 2.6Å; H321-Y323 HydrophobicContact CB-CD2 4.09Å; H321-Y323 HydrophobicContact CB-CE2 4.12Å; H321-Y323 PolarHBondContact O-N 2.89Å; H321-Y323 VanDerWaalsContact O-N 3.1Å
322	P	47.7	Very low	58.4	Low	55 Å²	55	116.1 Å²	116.1	36%	0.357	55%	0.548	S	S	.	.			trans	-81	88	173.9	31.1	-31.1	0	0	0	110	H324 H329	P322-H324 VanDerWaalsContact C-N 3.27Å; P322-H324 PolarHBondContact O-N 3.04Å; P322-H329 WeakPolarHBondContact CG-ND1 3.24Å
323	Y	43.6	Very low	57.4	Low	199 Å²	199	115.3 Å²	115.3	78%	0.78	55%	0.549	S	S	*	.			trans	-78.4	76.7	167.2	-85.5	-84.4	0	0	0	110.2	H321	H321-Y323 HydrophobicContact CB-CD2 4.09Å; H321-Y323 HydrophobicContact CB-CE2 4.12Å; H321-Y323 PolarHBondContact O-N 2.89Å; H321-Y323 VanDerWaalsContact O-N 3.1Å
324	H	41.3	Very low	56.9	Low	150 Å²	150	114.9 Å²	114.9	69%	0.694	55%	0.551	S	S	*	*			trans	-159.4	115.7	153.2	-98	-64.5	0	0	0	109.9	P322 H326	P322-H324 VanDerWaalsContact C-N 3.27Å; P322-H324 PolarHBondContact O-N 3.04Å; H324-H326 PolarHBondContact O-N 3.03Å; H324-H326 VanDerWaalsContact O-N 3.08Å
325	P	48.6	Very low	57	Low	110 Å²	110	113.4 Å²	113.4	71%	0.714	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	8.1	-169.9	-14.4	29.4	0	0	0	116.7
326	H	42.1	Very low	57.3	Low	174 Å²	174	109.7 Å²	109.7	81%	0.806	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.4	11.1	-172.3	-73.2	-56.1	0	0	0	116.3	H324	H324-H326 PolarHBondContact O-N 3.03Å; H324-H326 VanDerWaalsContact O-N 3.08Å
327	H	41	Very low	57.8	Low	158 Å²	158	109.7 Å²	109.7	73%	0.731	53%	0.532	S	S	*	.	S	Bend	trans	-122.6	130	165.7	-76.4	-72.3	0	0	0	109.2	H329	H327-H329 PolarHBondContact O-N 2.81Å; H327-H329 VanDerWaalsContact O-N 3.08Å
328	H	42.3	Very low	58.5	Low	193 Å²	193	113.9 Å²	113.9	89%	0.894	55%	0.55	S	S	*	.			trans	-39.5	118	176	-76.6	-84.2	0	0	0	110.7	S330	H328-S330 PolarHBondContact O-N 3.14Å
329	H	40.9	Very low	59.8	Low	129 Å²	129	114.4 Å²	114.4	60%	0.597	55%	0.545	S	S	*	.			trans	-55.9	93.1	179.3	-67.5	-76.4	0	0	0	111.3	P322 H327	P322-H329 WeakPolarHBondContact CG-ND1 3.24Å; H327-H329 PolarHBondContact O-N 2.81Å; H327-H329 VanDerWaalsContact O-N 3.08Å
330	S	49.3	Very low	61.5	Low	94 Å²	94	111.1 Å²	111.1	66%	0.657	53%	0.53	S	S	*	.			trans	-92.3	103.5	163.5	58.4	0	0	0	0	107.9	H328 Q332	H328-S330 PolarHBondContact O-N 3.14Å; S330-Q332 PolarHBondContact O-N 2.9Å
331	Y	55.6	Low	63.6	Low	177 Å²	177	106.7 Å²	106.7	69%	0.694	52%	0.52	S	S	*	.			trans	-50	116.1	151.6	-67.1	-91.5	0	0	0	106.3	S333	Y331-S333 VanDerWaalsContact C-N 3.32Å; Y331-S333 PolarHBondContact O-N 2.95Å
332	Q	64.2	Low	65.9	Low	145 Å²	145	101.1 Å²	101.1	68%	0.678	50%	0.496	S	S	*	.			trans	-72.9	97.4	174.7	-163.1	167.2	-1.5	0	0	106.6	S330	S330-Q332 PolarHBondContact O-N 2.9Å
333	S	73.8	Confident	68.1	Low	40 Å²	40	101.8 Å²	101.8	28%	0.28	50%	0.495	S	S	.	.			trans	-62.6	134.7	171.5	50.5	0	0	0	0	108.9	K315 Y331 C335 L449	K315-S333 WeakPolarHBondContact O-CA 3.29Å; Y331-S333 VanDerWaalsContact C-N 3.32Å; Y331-S333 PolarHBondContact O-N 2.95Å; S333-C335 VanDerWaalsContact C-N 3.3Å; S333-L449 WeakPolarHBondContact O-CD1 3.46Å; S333-L449 WeakPolarHBondContact OG-CD1 3.27Å
334	L	83.1	Confident	70.5	Confident	51 Å²	51	92.6 Å²	92.6	27%	0.267	46%	0.46	S	S	.	.	S	Bend	trans	-79.5	-18	175.9	-74.2	90.2	0	0	0	112.6	I314 K315	I314-L334 HydrophobicContact CD1-CD2 4.3Å; I314-L334 HydrophobicContact CG1-CD2 4.34Å; K315-L334 PolarHBondContact O-N 3.15Å
335	C	87.3	Confident	73	Confident	5 Å²	5	86.2 Å²	86.2	3%	0.034	43%	0.43	C	S	.	.	S	Bend	trans	-146	160.7	-177.3	63.7	0	0	0	0	110.8	R313 I314 S333 P450 C452	R313-C335 HydrophobicContact CB-CB 4.25Å; I314-C335 PolarHBondContact O-SG 3.34Å; I314-C335 VanDerWaalsContact O-SG 3.39Å; S333-C335 VanDerWaalsContact C-N 3.3Å; C335-P450 CarbonylContact C-O 3.52Å; C335-P450 WeakPolarHBondContact CA-O 3.26Å; C335-P450 WeakPolarHBondContact CB-O 3.42Å; C335-C452 HydrophobicContact CB-CB 3.93Å; C335-C452 WeakPolarHBondContact CB-SG 3.05Å; C335-C452 PolarHBondContact O-SG 3.15Å; C335-C452 WeakPolarHBondContact SG-CA 3.24Å; C335-C452 WeakPolarHBondContact SG-CB 3.4Å; C335-C452 CovalentContact SG-SG 2.03Å; C335-C452 PolarHBondContact SG-SG 3.07Å
336	N	86.6	Confident	75	Confident	21 Å²	21	81.3 Å²	81.3	11%	0.112	40%	0.397	C	S	.	.	B	Isolated β-bridge	trans	-105.2	139.6	179.5	-168.4	-0.2	0	0	0	111.5	K338 V445 L449 P450 Y451 C452	N336-K338 PolarHBondContact ND2-O 3.29Å; N336-K338 PolarHBondContact OD1-N 3.45Å; N336-V445 PolarHBondContact ND2-O 2.93Å; N336-L449 HydrophobicContact CB-CB 4.26Å; N336-P450 PolarHBondContact N-O 3.37Å; N336-Y451 HydrophobicContact CB-CD1 4.5Å; N336-Y451 CarbonylContact O-C 3.49Å; N336-Y451 VanDerWaalsContact O-CA 3.25Å; N336-Y451 WeakPolarHBondContact O-CA 3.34Å; N336-C452 PolarHBondContact O-N 3.08Å
337	D	85.1	Confident	77.1	Confident	98 Å²	98	73.1 Å²	73.1	52%	0.524	36%	0.361	S	S	.	.			trans	-96	-16.2	173.4	-72.1	-42.5	0	0	0	112.7	K315 C452	K315-D337 WeakPolarHBondContact CE-OD1 3.31Å; K315-D337 IonicContact NZ-OD1 2.73Å; K315-D337 PolarHBondContact NZ-OD1 3.26Å; K315-D337 IonicContact NZ-OD2 2.86Å; K315-D337 PolarHBondContact NZ-OD2 2.83Å; D337-C452 VanDerWaalsContact OD1-CB 3.29Å; D337-C452 WeakPolarHBondContact OD1-CB 3.44Å; D337-C452 PolarHBondContact OD1-SG 2.88Å; D337-C452 VanDerWaalsContact OD1-SG 3.37Å
338	K	84.3	Confident	79.3	Confident	151 Å²	151	66.9 Å²	66.9	66%	0.657	33%	0.333	S	S	*	.			trans	-92.2	114	-173.4	-64.2	-178.6	-179.8	177.1	0	110.8	N336 Y446 Y451	N336-K338 PolarHBondContact ND2-O 3.29Å; N336-K338 PolarHBondContact OD1-N 3.45Å; K338-Y446 HydrophobicContact CB-CE1 4.09Å; K338-Y446 WeakPolarHBondContact O-CD1 3.45Å; K338-Y451 WeakPolarHBondContact O-CE1 3.37Å
339	K	87.1	Confident	81.5	Confident	80 Å²	80	59 Å²	59	35%	0.348	30%	0.296	S	S	.	.			trans	-84.5	136.1	171.6	-60.3	-170.3	178.6	-166.3	0	110.5	Y356 Y451	K339-Y356 HydrophobicContact CB-CD1 4.35Å; K339-Y451 HydrophobicContact CB-CE1 4.42Å; K339-Y451 HydrophobicContact CG-CD1 4.19Å; K339-Y451 HydrophobicContact CG-CE1 3.92Å
340	F	92	Very high	83.7	Confident	21 Å²	21	57 Å²	57	9%	0.092	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	134.7	171	176.4	-103.3	0	0	0	110	T342 Y356 G357 L361 C362 Y446	F340-T342 HydrophobicContact CE1-CG2 4.01Å; F340-T342 HydrophobicContact CZ-CG2 4.23Å; F340-Y356 WeakPolarHBondContact O-CA 3.42Å; F340-G357 PolarHBondContact O-N 3.29Å; F340-L361 HydrophobicContact CD1-CB 4.5Å; F340-L361 HydrophobicContact CD1-CD2 4.45Å; F340-L361 HydrophobicContact CE1-CB 4.26Å; F340-L361 HydrophobicContact CE1-CD2 4.1Å; F340-L361 HydrophobicContact CE1-CG 4.02Å; F340-C362 HydrophobicContact CD1-CB 3.98Å; F340-C362 HydrophobicContact CD2-CB 3.81Å; F340-C362 HydrophobicContact CE1-CB 3.81Å; F340-C362 HydrophobicContact CE2-CB 3.63Å; F340-C362 WeakPolarHBondContact CE2-SG 3.28Å; F340-C362 HydrophobicContact CG-CB 3.99Å; F340-C362 VanDerWaalsContact CZ-CA 3.45Å; F340-C362 HydrophobicContact CZ-CB 3.63Å; F340-Y446 HydrophobicContact CB-CD1 3.99Å; F340-Y446 HydrophobicContact CB-CD2 4.09Å; F340-Y446 HydrophobicContact CB-CE1 4.23Å; F340-Y446 HydrophobicContact CB-CE2 4.34Å; F340-Y446 HydrophobicContact CB-CG 3.93Å; F340-Y446 HydrophobicContact CD2-CD2 4.09Å; F340-Y446 AromaticContact CD2-CE2 3.81Å; F340-Y446 HydrophobicContact CD2-CE2 3.81Å; F340-Y446 HydrophobicContact CG-CD2 4.43Å
341	S	94	Very high	85.6	Confident	54 Å²	54	57.5 Å²	57.5	38%	0.378	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	143.3	178.1	66.7	0	0	0	0	110.5	I355	S341-I355 CarbonylContact C-O 3.53Å; S341-I355 WeakPolarHBondContact CA-O 3.44Å
342	T	94.1	Very high	87.4	Confident	19 Å²	19	53 Å²	53	12%	0.117	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	161.4	-179.2	-173.8	0	0	0	0	110.4	F340 L344 I355 L361 I365	F340-T342 HydrophobicContact CE1-CG2 4.01Å; F340-T342 HydrophobicContact CZ-CG2 4.23Å; T342-L344 HydrophobicContact CG2-CD2 3.66Å; T342-L344 HydrophobicContact CG2-CG 4.07Å; T342-I355 PolarHBondContact N-O 3.03Å; T342-I355 PolarHBondContact O-N 2.61Å; T342-L361 HydrophobicContact CG2-CD2 4.15Å; T342-I365 HydrophobicContact CG2-CD1 4.39Å; T342-I365 HydrophobicContact CG2-CG1 4.17Å
343	I	94.6	Very high	88.7	Confident	68 Å²	68	48.6 Å²	48.6	35%	0.349	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	121.7	175.1	-59.5	174.5	0	0	0	108.5	K352 R353 L354 Y386	I343-K352 HydrophobicContact CG2-CB 3.71Å; I343-R353 CarbonylContact C-O 3.58Å; I343-R353 VanDerWaalsContact CA-O 3.25Å; I343-R353 WeakPolarHBondContact CA-O 3.09Å; I343-L354 HydrophobicContact CG1-CD1 4.38Å; I343-Y386 HydrophobicContact CB-CD1 4.34Å; I343-Y386 HydrophobicContact CD1-CD1 4.37Å; I343-Y386 HydrophobicContact CG2-CD1 4.08Å; I343-Y386 HydrophobicContact CG2-CG 4.36Å; I343-Y386 PolarHBondContact O-N 3.26Å
344	L	93.9	Very high	89.7	Confident	7 Å²	7	50.6 Å²	50.6	4%	0.037	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	150.1	177.3	-56.4	-174.2	0	0	0	111.2	F288 T342 K352 R353 I355 I365 L384	F288-L344 HydrophobicContact CD2-CD1 3.8Å; F288-L344 HydrophobicContact CE2-CD1 4.03Å; T342-L344 HydrophobicContact CG2-CD2 3.66Å; T342-L344 HydrophobicContact CG2-CG 4.07Å; L344-K352 CarbonylContact O-C 3.53Å; L344-K352 VanDerWaalsContact O-CA 3.23Å; L344-K352 WeakPolarHBondContact O-CA 3.37Å; L344-R353 PolarHBondContact N-O 3.2Å; L344-R353 PolarHBondContact O-N 3.37Å; L344-I355 HydrophobicContact CB-CG1 4.33Å; L344-I355 HydrophobicContact CD1-CB 4.01Å; L344-I355 HydrophobicContact CD1-CG1 4.06Å; L344-I355 HydrophobicContact CD1-CG2 4.11Å; L344-I355 HydrophobicContact CG-CB 4.19Å; L344-I355 HydrophobicContact CG-CG1 4.2Å; L344-I365 HydrophobicContact CD2-CD1 3.35Å; L344-I365 HydrophobicContact CD2-CG1 4.36Å; L344-L384 WeakPolarHBondContact CA-O 3.49Å
345	Y	92.4	Very high	90.3	Very high	15 Å²	15	48.3 Å²	48.3	6%	0.059	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	140.7	166.4	-72.8	-83	0	0	0	111.6	H351 K352 L384 Y386 P400	Y345-H351 WeakPolarHBondContact CA-O 3.06Å; Y345-K352 HydrophobicContact CD1-CG 3.8Å; Y345-K352 HydrophobicContact CE1-CD 4.04Å; Y345-K352 HydrophobicContact CE1-CG 3.8Å; Y345-K352 WeakPolarHBondContact OH-CE 3.25Å; Y345-L384 HydrophobicContact CD2-CB 4.04Å; Y345-L384 WeakPolarHBondContact CD2-O 3.5Å; Y345-L384 PolarHBondContact N-O 2.77Å; Y345-Y386 HydrophobicContact CE2-CD2 4.2Å; Y345-Y386 AromaticContact CZ-CD2 3.9Å; Y345-Y386 WeakPolarHBondContact OH-CD2 3.44Å; Y345-P400 HydrophobicContact CD1-CG 4.17Å; Y345-P400 HydrophobicContact CD2-CB 4.44Å; Y345-P400 HydrophobicContact CD2-CG 3.97Å; Y345-P400 HydrophobicContact CE1-CG 4.29Å; Y345-P400 HydrophobicContact CE2-CB 4.32Å; Y345-P400 HydrophobicContact CE2-CG 4.11Å; Y345-P400 HydrophobicContact CG-CG 4Å
346	D	90.9	Very high	90.6	Very high	7 Å²	7	51.8 Å²	51.8	4%	0.037	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-72.7	176.6	170.5	-81.4	9	0	0	0	111.3	T224 D348 F349 H351 R353	T224-D346 VanDerWaalsContact O-CA 3.28Å; T224-D346 WeakPolarHBondContact O-CA 3.25Å; T224-D346 VanDerWaalsContact O-CB 3.22Å; T224-D346 WeakPolarHBondContact O-CB 3.47Å; T224-D346 VanDerWaalsContact O-CG 3.29Å; D346-D348 PolarHBondContact O-N 3.07Å; D346-D348 VanDerWaalsContact O-N 3.12Å; D346-F349 PolarHBondContact O-N 2.82Å; D346-H351 HydrophobicContact CB-CB 3.99Å; D346-H351 PolarHBondContact N-O 2.87Å; D346-R353 VanDerWaalsContact CG-NE 3.27Å; D346-R353 WeakPolarHBondContact OD1-CD 3.47Å; D346-R353 WeakPolarHBondContact OD1-CG 3.43Å; D346-R353 IonicContact OD1-NE 3.06Å; D346-R353 PolarHBondContact OD1-NE 2.83Å; D346-R353 IonicContact OD2-CZ 3.29Å; D346-R353 VanDerWaalsContact OD2-CZ 3.23Å; D346-R353 IonicContact OD2-NE 2.65Å; D346-R353 PolarHBondContact OD2-NE 2.88Å; D346-R353 IonicContact OD2-NH2 3.67Å; D346-R353 PolarHBondContact OD2-NH2 2.9Å
347	G	86.2	Confident	90.8	Very high	3 Å²	3	51.4 Å²	51.4	3%	0.031	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-19.3	178.4	0	0	0	0	0	116.8	T224	T224-G347 PolarHBondContact O-N 2.63Å; T224-G347 WeakPolarHBondContact OG1-CA 3.48Å; T224-G347 PolarHBondContact OG1-N 3.22Å
348	D	87.6	Confident	91.1	Very high	27 Å²	27	48.4 Å²	48.4	14%	0.144	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-5.1	177.8	60.2	16.7	0	0	0	113.9	Y177 D346 I350 H351	Y177-D348 HydrophobicContact CD1-CB 4.25Å; Y177-D348 WeakPolarHBondContact CD1-O 3.25Å; Y177-D348 HydrophobicContact CD2-CB 4.24Å; Y177-D348 HydrophobicContact CG-CB 4.13Å; D346-D348 PolarHBondContact O-N 3.07Å; D346-D348 VanDerWaalsContact O-N 3.12Å; D348-I350 PolarHBondContact O-N 2.83Å; D348-I350 PolarHBondContact OD1-N 3.41Å; D348-H351 PolarHBondContact OD1-N 2.83Å; D348-H351 IonicContact OD1-ND1 3.71Å; D348-H351 IonicContact OD2-CE1 3.46Å; D348-H351 PolarHBondContact OD2-CE1 2.63Å; D348-H351 IonicContact OD2-CG 3.73Å; D348-H351 IonicContact OD2-ND1 2.65Å; D348-H351 PolarHBondContact OD2-ND1 2.79Å
349	F	88.2	Confident	91.4	Very high	28 Å²	28	43.8 Å²	43.8	12%	0.123	22%	0.22	C	C	.	.	S	Bend	trans	60	18.9	-174.8	-51.8	-45.8	0	0	0	114.3	I226 D346 L384 K399 P400 L402	I226-F349 HydrophobicContact CD1-CD1 3.85Å; I226-F349 HydrophobicContact CD1-CE1 3.09Å; I226-F349 HydrophobicContact CD1-CZ 3.75Å; D346-F349 PolarHBondContact O-N 2.82Å; F349-L384 HydrophobicContact CD1-CD1 3.41Å; F349-L384 VanDerWaalsContact CD1-CD1 3.41Å; F349-L384 HydrophobicContact CE1-CD1 3.16Å; F349-L384 HydrophobicContact CZ-CD1 4.21Å; F349-K399 HydrophobicContact CB-CD 4.33Å; F349-K399 HydrophobicContact CB-CG 3.78Å; F349-P400 HydrophobicContact CB-CG 3.74Å; F349-P400 HydrophobicContact CD1-CG 4.11Å; F349-P400 HydrophobicContact CG-CG 4.12Å; F349-P400 WeakPolarHBondContact O-CD 3.33Å; F349-L402 HydrophobicContact CE2-CD1 4.35Å; F349-L402 HydrophobicContact CZ-CD1 3.97Å
350	I	87.2	Confident	91.7	Very high	87 Å²	87	43.1 Å²	43.1	45%	0.446	22%	0.218	S	C	.	.	S	Bend	trans	-116.9	-54.7	-179.6	-64	167.6	0	0	0	109.2	Y177 D348	Y177-I350 HydrophobicContact CE1-CD1 3.78Å; D348-I350 PolarHBondContact O-N 2.83Å; D348-I350 PolarHBondContact OD1-N 3.41Å
351	H	90.7	Very high	91.7	Very high	104 Å²	104	42.2 Å²	42.2	48%	0.481	21%	0.214	S	C	.	.			trans	-74.5	149	179.5	-64	96.6	0	0	0	110.4	Y345 D346 D348	Y345-H351 WeakPolarHBondContact CA-O 3.06Å; D346-H351 HydrophobicContact CB-CB 3.99Å; D346-H351 PolarHBondContact N-O 2.87Å; D348-H351 PolarHBondContact OD1-N 2.83Å; D348-H351 IonicContact OD1-ND1 3.71Å; D348-H351 IonicContact OD2-CE1 3.46Å; D348-H351 PolarHBondContact OD2-CE1 2.63Å; D348-H351 IonicContact OD2-CG 3.73Å; D348-H351 IonicContact OD2-ND1 2.65Å; D348-H351 PolarHBondContact OD2-ND1 2.79Å
352	K	91.5	Very high	91.8	Very high	83 Å²	83	40.1 Å²	40.1	36%	0.361	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	143.9	-177.9	-56.4	173.1	-172	173.7	0	109.2	I343 L344 Y345 Y386	I343-K352 HydrophobicContact CG2-CB 3.71Å; L344-K352 CarbonylContact O-C 3.53Å; L344-K352 VanDerWaalsContact O-CA 3.23Å; L344-K352 WeakPolarHBondContact O-CA 3.37Å; Y345-K352 HydrophobicContact CD1-CG 3.8Å; Y345-K352 HydrophobicContact CE1-CD 4.04Å; Y345-K352 HydrophobicContact CE1-CG 3.8Å; Y345-K352 WeakPolarHBondContact OH-CE 3.25Å; K352-Y386 HydrophobicContact CD-CD1 4.12Å; K352-Y386 HydrophobicContact CD-CD2 3.91Å; K352-Y386 HydrophobicContact CD-CE1 4.48Å; K352-Y386 HydrophobicContact CD-CE2 4.3Å; K352-Y386 HydrophobicContact CD-CG 3.8Å; K352-Y386 VanDerWaalsContact NZ-CD2 3.29Å
353	R	92.3	Very high	91.8	Very high	51 Å²	51	40.8 Å²	40.8	19%	0.192	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	143.9	-178.8	-64.4	-176.9	-166.7	-84.7	-15	111.9	Y223 I343 L344 D346 I355	Y223-R353 VanDerWaalsContact CB-CZ 3.44Å; I343-R353 CarbonylContact C-O 3.58Å; I343-R353 VanDerWaalsContact CA-O 3.25Å; I343-R353 WeakPolarHBondContact CA-O 3.09Å; L344-R353 PolarHBondContact N-O 3.2Å; L344-R353 PolarHBondContact O-N 3.37Å; D346-R353 VanDerWaalsContact CG-NE 3.27Å; D346-R353 WeakPolarHBondContact OD1-CD 3.47Å; D346-R353 WeakPolarHBondContact OD1-CG 3.43Å; D346-R353 IonicContact OD1-NE 3.06Å; D346-R353 PolarHBondContact OD1-NE 2.83Å; D346-R353 IonicContact OD2-CZ 3.29Å; D346-R353 VanDerWaalsContact OD2-CZ 3.23Å; D346-R353 IonicContact OD2-NE 2.65Å; D346-R353 PolarHBondContact OD2-NE 2.88Å; D346-R353 IonicContact OD2-NH2 3.67Å; D346-R353 PolarHBondContact OD2-NH2 2.9Å; R353-I355 HydrophobicContact CB-CD1 4.24Å; R353-I355 HydrophobicContact CB-CG1 4.32Å; R353-I355 PolarHBondContact O-N 2.81Å
354	L	95.1	Very high	91.8	Very high	82 Å²	82	39.6 Å²	39.6	43%	0.429	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	117.9	166.8	-178.3	67	0	0	0	108.7	I343	I343-L354 HydrophobicContact CG1-CD1 4.38Å
355	I	94.9	Very high	91.9	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.015	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	133.2	179.7	-61	-64.8	0	0	0	108.9	N286 F288 S341 T342 L344 R353	N286-I355 HydrophobicContact CB-CD1 4.48Å; N286-I355 CarbonylContact O-C 3.6Å; N286-I355 WeakPolarHBondContact O-CA 3.29Å; F288-I355 HydrophobicContact CB-CG2 3.79Å; F288-I355 HydrophobicContact CD2-CG2 4.28Å; S341-I355 CarbonylContact C-O 3.53Å; S341-I355 WeakPolarHBondContact CA-O 3.44Å; T342-I355 PolarHBondContact N-O 3.03Å; T342-I355 PolarHBondContact O-N 2.61Å; L344-I355 HydrophobicContact CB-CG1 4.33Å; L344-I355 HydrophobicContact CD1-CB 4.01Å; L344-I355 HydrophobicContact CD1-CG1 4.06Å; L344-I355 HydrophobicContact CD1-CG2 4.11Å; L344-I355 HydrophobicContact CG-CB 4.19Å; L344-I355 HydrophobicContact CG-CG1 4.2Å; R353-I355 HydrophobicContact CB-CD1 4.24Å; R353-I355 HydrophobicContact CB-CG1 4.32Å; R353-I355 PolarHBondContact O-N 2.81Å
356	Y	94.1	Very high	92	Very high	78 Å²	78	39.8 Å²	39.8	31%	0.306	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	146.6	172.7	-62	-84.1	0	0	0	110.2	N286 H287 F288 K339 F340	N286-Y356 HydrophobicContact CB-CD2 4.41Å; N286-Y356 PolarHBondContact O-N 3.33Å; H287-Y356 CarbonylContact C-O 3.53Å; H287-Y356 WeakPolarHBondContact CA-O 3.25Å; H287-Y356 AromaticContact CE1-CD2 3.92Å; F288-Y356 PolarHBondContact N-O 3.24Å; K339-Y356 HydrophobicContact CB-CD1 4.35Å; F340-Y356 WeakPolarHBondContact O-CA 3.42Å
357	G	91.5	Very high	92.3	Very high	13 Å²	13	41 Å²	41	13%	0.134	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	-176.1	179.6	0	0	0	0	0	113.9	F340	F340-G357 PolarHBondContact O-N 3.29Å
358	S	90.1	Very high	92.7	Very high	35 Å²	35	40.9 Å²	40.9	25%	0.245	20%	0.202	C	C	.	.			trans	-88.3	178.3	174.5	60.3	0	0	0	0	111.9	E360 L361 C362	S358-E360 PolarHBondContact O-N 2.8Å; S358-E360 WeakPolarHBondContact OG-CB 3.48Å; S358-E360 PolarHBondContact OG-N 2.66Å; S358-L361 PolarHBondContact O-N 3.24Å; S358-C362 PolarHBondContact O-N 3.44Å; S358-C362 VanDerWaalsContact O-N 3.15Å
359	N	91.7	Very high	93.1	Very high	54 Å²	54	44.6 Å²	44.6	29%	0.289	22%	0.215	S	C	.	.	H	α-helix	trans	-54.4	-37	166.8	64.8	-32.1	0	0	0	112.4	L361 C362 H363 C443	N359-L361 VanDerWaalsContact C-N 3.34Å; N359-L361 PolarHBondContact O-N 2.96Å; N359-C362 WeakPolarHBondContact O-CA 3.41Å; N359-C362 VanDerWaalsContact O-CB 3.24Å; N359-C362 WeakPolarHBondContact O-CB 3.09Å; N359-C362 PolarHBondContact O-N 2.95Å; N359-H363 PolarHBondContact O-CD2 2.75Å; N359-H363 PolarHBondContact O-N 2.95Å; N359-C443 VanDerWaalsContact CB-O 3.24Å; N359-C443 WeakPolarHBondContact CB-O 3.32Å
360	E	92	Very high	93.5	Very high	67 Å²	67	43.9 Å²	43.9	31%	0.313	21%	0.212	S	C	.	.	H	α-helix	trans	-58.3	-45.8	176.6	-168.8	-153.5	133.6	0	0	111.4	S358 C362 H363 R364	S358-E360 PolarHBondContact O-N 2.8Å; S358-E360 WeakPolarHBondContact OG-CB 3.48Å; S358-E360 PolarHBondContact OG-N 2.66Å; E360-C362 VanDerWaalsContact C-N 3.3Å; E360-C362 PolarHBondContact O-N 3.46Å; E360-H363 PolarHBondContact O-N 3.46Å; E360-R364 WeakPolarHBondContact O-CD 3.4Å; E360-R364 VanDerWaalsContact O-CG 3.27Å; E360-R364 WeakPolarHBondContact O-CG 3.17Å; E360-R364 PolarHBondContact O-N 2.93Å; E360-R364 WeakPolarHBondContact OE1-CD 3.41Å; E360-R364 IonicContact OE1-CZ 2.97Å; E360-R364 IonicContact OE1-NH1 3.67Å; E360-R364 PolarHBondContact OE1-NH1 2.97Å
361	L	93.5	Very high	93.9	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-62.1	-41.1	174.7	-177	65.4	0	0	0	110.8	F288 F340 T342 S358 N359 H363 R364 I365 P383	F288-L361 HydrophobicContact CB-CD2 3.69Å; F288-L361 HydrophobicContact CD1-CD1 4.09Å; F288-L361 HydrophobicContact CD2-CD1 3.71Å; F288-L361 HydrophobicContact CD2-CD2 4.06Å; F288-L361 HydrophobicContact CE1-CD1 4.2Å; F288-L361 HydrophobicContact CE2-CD1 3.83Å; F288-L361 HydrophobicContact CG-CD1 3.87Å; F288-L361 HydrophobicContact CG-CD2 3.88Å; F288-L361 HydrophobicContact CG-CG 4.38Å; F288-L361 HydrophobicContact CZ-CD1 4.08Å; F340-L361 HydrophobicContact CD1-CB 4.5Å; F340-L361 HydrophobicContact CD1-CD2 4.45Å; F340-L361 HydrophobicContact CE1-CB 4.26Å; F340-L361 HydrophobicContact CE1-CD2 4.1Å; F340-L361 HydrophobicContact CE1-CG 4.02Å; T342-L361 HydrophobicContact CG2-CD2 4.15Å; S358-L361 PolarHBondContact O-N 3.24Å; N359-L361 VanDerWaalsContact C-N 3.34Å; N359-L361 PolarHBondContact O-N 2.96Å; L361-H363 PolarHBondContact O-N 3.2Å; L361-R364 PolarHBondContact O-N 3.16Å; L361-I365 HydrophobicContact CD1-CG1 4.13Å; L361-I365 HydrophobicContact CG-CG1 4.21Å; L361-I365 WeakPolarHBondContact O-CB 3.45Å; L361-I365 WeakPolarHBondContact O-CG1 3.43Å; L361-I365 PolarHBondContact O-N 3.39Å; L361-P383 HydrophobicContact CD1-CB 4.4Å; L361-P383 HydrophobicContact CD1-CG 3.99Å
362	C	95.1	Very high	94.1	Very high	11 Å²	11	37.8 Å²	37.8	7%	0.074	18%	0.182	C	C	.	.	H	α-helix	trans	-56.6	-50	176.3	-173.4	0	0	0	0	111.8	F340 S358 N359 E360 R364 I365 L366 C443	F340-C362 HydrophobicContact CD1-CB 3.98Å; F340-C362 HydrophobicContact CD2-CB 3.81Å; F340-C362 HydrophobicContact CE1-CB 3.81Å; F340-C362 HydrophobicContact CE2-CB 3.63Å; F340-C362 WeakPolarHBondContact CE2-SG 3.28Å; F340-C362 HydrophobicContact CG-CB 3.99Å; F340-C362 VanDerWaalsContact CZ-CA 3.45Å; F340-C362 HydrophobicContact CZ-CB 3.63Å; S358-C362 PolarHBondContact O-N 3.44Å; S358-C362 VanDerWaalsContact O-N 3.15Å; N359-C362 WeakPolarHBondContact O-CA 3.41Å; N359-C362 VanDerWaalsContact O-CB 3.24Å; N359-C362 WeakPolarHBondContact O-CB 3.09Å; N359-C362 PolarHBondContact O-N 2.95Å; E360-C362 VanDerWaalsContact C-N 3.3Å; E360-C362 PolarHBondContact O-N 3.46Å; C362-R364 PolarHBondContact O-N 3.07Å; C362-I365 PolarHBondContact O-N 3.39Å; C362-L366 PolarHBondContact O-N 3.32Å; C362-C443 HydrophobicContact CB-CB 3.67Å; C362-C443 WeakPolarHBondContact CB-SG 3.35Å; C362-C443 WeakPolarHBondContact SG-CA 3.45Å; C362-C443 WeakPolarHBondContact SG-CB 3.38Å; C362-C443 CovalentContact SG-SG 2.05Å; C362-C443 PolarHBondContact SG-SG 3.4Å
363	H	95.2	Very high	94.3	Very high	32 Å²	32	38.3 Å²	38.3	15%	0.148	19%	0.189	C	C	.	.	H	α-helix	trans	-62.1	-41.3	177.1	-73.8	-69.7	0	0	0	112.6	N359 E360 L361 I365 L366 S367 Y434 A440 C443 D444	N359-H363 PolarHBondContact O-CD2 2.75Å; N359-H363 PolarHBondContact O-N 2.95Å; E360-H363 PolarHBondContact O-N 3.46Å; L361-H363 PolarHBondContact O-N 3.2Å; H363-I365 VanDerWaalsContact C-N 3.32Å; H363-I365 PolarHBondContact O-N 3.06Å; H363-L366 PolarHBondContact O-N 2.96Å; H363-S367 WeakPolarHBondContact O-CB 3.47Å; H363-S367 PolarHBondContact O-N 3.33Å; H363-S367 PolarHBondContact O-OG 3.37Å; H363-Y434 AromaticContact ND1-CE1 3.43Å; H363-Y434 WeakPolarHBondContact ND1-CE1 3.4Å; H363-Y434 AromaticContact ND1-CZ 3.64Å; H363-Y434 PolarHBondContact ND1-OH 3.03Å; H363-Y434 PolarHBondContact O-OH 3.35Å; H363-A440 PolarHBondContact CE1-O 2.61Å; H363-C443 VanDerWaalsContact CE1-CB 3.4Å; H363-C443 WeakPolarHBondContact CE1-CB 3.41Å; H363-C443 VanDerWaalsContact NE2-CB 3.33Å; H363-C443 WeakPolarHBondContact NE2-CB 3.5Å; H363-D444 IonicContact CE1-OD1 3.24Å; H363-D444 IonicContact NE2-OD1 2.8Å; H363-D444 PolarHBondContact NE2-OD1 3.37Å; H363-D444 VanDerWaalsContact NE2-OD1 3.11Å
364	R	94.5	Very high	94.4	Very high	44 Å²	44	38.5 Å²	38.5	17%	0.166	19%	0.192	C	C	.	.	H	α-helix	trans	-62.9	-38.9	177.3	-72.1	165.5	62.4	171.4	-1.1	112.2	E360 L361 C362 S367 Q368 L382 P383	E360-R364 WeakPolarHBondContact O-CD 3.4Å; E360-R364 VanDerWaalsContact O-CG 3.27Å; E360-R364 WeakPolarHBondContact O-CG 3.17Å; E360-R364 PolarHBondContact O-N 2.93Å; E360-R364 WeakPolarHBondContact OE1-CD 3.41Å; E360-R364 IonicContact OE1-CZ 2.97Å; E360-R364 IonicContact OE1-NH1 3.67Å; E360-R364 PolarHBondContact OE1-NH1 2.97Å; L361-R364 PolarHBondContact O-N 3.16Å; C362-R364 PolarHBondContact O-N 3.07Å; R364-S367 PolarHBondContact O-N 3.37Å; R364-Q368 PolarHBondContact O-N 2.96Å; R364-L382 HydrophobicContact CB-CD2 4.41Å; R364-L382 HydrophobicContact CG-CD2 4.48Å; R364-P383 HydrophobicContact CB-CG 4.03Å
365	I	95.1	Very high	94.5	Very high	11 Å²	11	35.2 Å²	35.2	6%	0.056	18%	0.176	C	C	.	.	H	α-helix	trans	-71.6	-38.9	176.5	-66.5	-69	0	0	0	111.4	T342 L344 L361 C362 H363 Q368 Y369 P383 Y387	T342-I365 HydrophobicContact CG2-CD1 4.39Å; T342-I365 HydrophobicContact CG2-CG1 4.17Å; L344-I365 HydrophobicContact CD2-CD1 3.35Å; L344-I365 HydrophobicContact CD2-CG1 4.36Å; L361-I365 HydrophobicContact CD1-CG1 4.13Å; L361-I365 HydrophobicContact CG-CG1 4.21Å; L361-I365 WeakPolarHBondContact O-CB 3.45Å; L361-I365 WeakPolarHBondContact O-CG1 3.43Å; L361-I365 PolarHBondContact O-N 3.39Å; C362-I365 PolarHBondContact O-N 3.39Å; H363-I365 VanDerWaalsContact C-N 3.32Å; H363-I365 PolarHBondContact O-N 3.06Å; I365-Q368 PolarHBondContact O-N 2.83Å; I365-Y369 PolarHBondContact O-N 2.94Å; I365-P383 HydrophobicContact CD1-CB 3.94Å; I365-P383 HydrophobicContact CD1-CG 4.43Å; I365-Y387 HydrophobicContact CG2-CE1 3.77Å; I365-Y387 PolarHBondContact O-OH 3.11Å
366	L	95.8	Very high	94.4	Very high	15 Å²	15	42.7 Å²	42.7	8%	0.079	21%	0.21	C	C	.	.	H	α-helix	trans	-62.7	-45.8	172.3	177.9	57.7	0	0	0	110.9	C362 H363 Q368 Y369 L370 Y434 E439 A440	C362-L366 PolarHBondContact O-N 3.32Å; H363-L366 PolarHBondContact O-N 2.96Å; L366-Q368 VanDerWaalsContact C-N 3.3Å; L366-Q368 PolarHBondContact O-N 3.49Å; L366-Y369 WeakPolarHBondContact O-CA 3.41Å; L366-Y369 WeakPolarHBondContact O-CB 3.08Å; L366-Y369 PolarHBondContact O-N 3.21Å; L366-L370 WeakPolarHBondContact O-CG 3.37Å; L366-L370 PolarHBondContact O-N 3.2Å; L366-Y434 HydrophobicContact CD2-CE2 4.11Å; L366-Y434 HydrophobicContact CG-CE2 4.37Å; L366-E439 HydrophobicContact CD1-CB 3.76Å; L366-E439 HydrophobicContact CD1-CG 4.42Å; L366-E439 HydrophobicContact CD2-CB 3.89Å; L366-E439 HydrophobicContact CG-CB 4.48Å; L366-A440 HydrophobicContact CD2-CB 3.7Å
367	S	95.7	Very high	94.5	Very high	33 Å²	33	39 Å²	39	23%	0.231	20%	0.196	C	C	.	.	H	α-helix	trans	-57.9	-44.4	175.8	-65.7	0	0	0	0	111.3	H363 R364 Y369 L370 Y371	H363-S367 WeakPolarHBondContact O-CB 3.47Å; H363-S367 PolarHBondContact O-N 3.33Å; H363-S367 PolarHBondContact O-OG 3.37Å; R364-S367 PolarHBondContact O-N 3.37Å; S367-Y369 VanDerWaalsContact C-N 3.3Å; S367-Y369 PolarHBondContact O-N 3.37Å; S367-L370 WeakPolarHBondContact O-CB 3.28Å; S367-L370 PolarHBondContact O-N 2.87Å; S367-L370 VanDerWaalsContact O-N 3.16Å; S367-Y371 WeakPolarHBondContact O-CD2 3.37Å; S367-Y371 PolarHBondContact O-N 3.26Å
368	Q	95.7	Very high	94.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.4	-39.1	175.4	177.7	55.6	68.5	0	0	112	R364 I365 L366 L370 Y371 L372 Y378 N379 L382 P383 Y387	R364-Q368 PolarHBondContact O-N 2.96Å; I365-Q368 PolarHBondContact O-N 2.83Å; L366-Q368 VanDerWaalsContact C-N 3.3Å; L366-Q368 PolarHBondContact O-N 3.49Å; Q368-L370 VanDerWaalsContact C-N 3.34Å; Q368-L370 PolarHBondContact O-N 3.29Å; Q368-Y371 PolarHBondContact O-N 3.44Å; Q368-L372 WeakPolarHBondContact O-CB 3.14Å; Q368-L372 PolarHBondContact O-N 3.29Å; Q368-Y378 HydrophobicContact CG-CD1 3.89Å; Q368-Y378 HydrophobicContact CG-CE1 4.18Å; Q368-N379 PolarHBondContact OE1-O 3.19Å; Q368-L382 HydrophobicContact CB-CB 3.99Å; Q368-L382 HydrophobicContact CB-CD1 4.15Å; Q368-P383 WeakPolarHBondContact CG-O 3.44Å; Q368-Y387 WeakPolarHBondContact CB-OH 3.32Å; Q368-Y387 HydrophobicContact CG-CE2 4.26Å; Q368-Y387 WeakPolarHBondContact CG-OH 3.48Å
369	Y	95.5	Very high	94.9	Very high	105 Å²	105	37.9 Å²	37.9	41%	0.412	18%	0.183	S	C	.	.	H	α-helix	trans	-61.7	-41.6	174.8	178.6	-102.2	0	0	0	112	I365 L366 S367 L372 N373 Y387	I365-Y369 PolarHBondContact O-N 2.94Å; L366-Y369 WeakPolarHBondContact O-CA 3.41Å; L366-Y369 WeakPolarHBondContact O-CB 3.08Å; L366-Y369 PolarHBondContact O-N 3.21Å; S367-Y369 VanDerWaalsContact C-N 3.3Å; S367-Y369 PolarHBondContact O-N 3.37Å; Y369-L372 PolarHBondContact O-N 3.43Å; Y369-N373 VanDerWaalsContact O-CB 3.32Å; Y369-N373 WeakPolarHBondContact O-CB 3.33Å; Y369-N373 PolarHBondContact O-N 3.27Å; Y369-Y387 AromaticContact CD2-CD1 3.61Å; Y369-Y387 HydrophobicContact CD2-CD1 3.61Å; Y369-Y387 HydrophobicContact CD2-CD2 4.33Å; Y369-Y387 AromaticContact CD2-CE1 3.97Å; Y369-Y387 HydrophobicContact CD2-CE1 3.97Å; Y369-Y387 AromaticContact CD2-CG 3.81Å; Y369-Y387 HydrophobicContact CD2-CG 3.81Å; Y369-Y387 HydrophobicContact CE2-CD1 4.45Å; Y369-Y387 HydrophobicContact CG-CD1 4.29Å; Y369-Y387 HydrophobicContact CG-CE1 4.22Å; Y369-Y387 PolarHBondContact N-OH 3.07Å
370	L	96.2	Very high	95	Very high	13 Å²	13	35.5 Å²	35.5	7%	0.068	17%	0.17	C	C	.	.	H	α-helix	trans	-62.5	-44.6	177.1	-63.7	173	0	0	0	111.9	L366 S367 Q368 L372 N373 E374 Y428 Y434 L437	L366-L370 WeakPolarHBondContact O-CG 3.37Å; L366-L370 PolarHBondContact O-N 3.2Å; S367-L370 WeakPolarHBondContact O-CB 3.28Å; S367-L370 PolarHBondContact O-N 2.87Å; S367-L370 VanDerWaalsContact O-N 3.16Å; Q368-L370 VanDerWaalsContact C-N 3.34Å; Q368-L370 PolarHBondContact O-N 3.29Å; L370-L372 PolarHBondContact O-N 2.93Å; L370-N373 PolarHBondContact O-N 3.34Å; L370-E374 PolarHBondContact O-N 3.05Å; L370-Y428 HydrophobicContact CB-CD2 4.46Å; L370-Y428 HydrophobicContact CB-CE2 4.17Å; L370-Y428 HydrophobicContact CD1-CD1 3.96Å; L370-Y428 HydrophobicContact CD1-CD2 3.88Å; L370-Y428 HydrophobicContact CD1-CE1 3.96Å; L370-Y428 HydrophobicContact CD1-CE2 3.89Å; L370-Y428 HydrophobicContact CD1-CG 3.91Å; L370-Y428 HydrophobicContact CD2-CE1 4.42Å; L370-Y428 HydrophobicContact CD2-CE2 4.16Å; L370-Y428 HydrophobicContact CG-CE2 4.29Å; L370-Y434 HydrophobicContact CD1-CD2 4.22Å; L370-Y434 HydrophobicContact CD1-CE2 4.05Å; L370-L437 HydrophobicContact CD1-CD1 4.04Å; L370-L437 HydrophobicContact CD2-CD1 4.16Å
371	Y	96.5	Very high	95	Very high	23 Å²	23	33.7 Å²	33.7	9%	0.09	16%	0.161	C	C	.	.	H	α-helix	trans	-61	-43.5	173.4	-78.6	-74	0	0	0	112.2	S367 Q368 C375 N379 L382 M421 V424 Y425	S367-Y371 WeakPolarHBondContact O-CD2 3.37Å; S367-Y371 PolarHBondContact O-N 3.26Å; Q368-Y371 PolarHBondContact O-N 3.44Å; Y371-C375 WeakPolarHBondContact O-CA 3.35Å; Y371-C375 VanDerWaalsContact O-CB 3.29Å; Y371-C375 WeakPolarHBondContact O-CB 3.45Å; Y371-C375 PolarHBondContact O-N 3.41Å; Y371-N379 HydrophobicContact CD1-CB 4.4Å; Y371-N379 HydrophobicContact CD2-CB 3.94Å; Y371-N379 WeakPolarHBondContact CD2-ND2 3.19Å; Y371-N379 WeakPolarHBondContact CE2-ND2 3.08Å; Y371-N379 HydrophobicContact CG-CB 3.9Å; Y371-N379 VanDerWaalsContact CZ-ND2 3.25Å; Y371-L382 HydrophobicContact CD2-CD1 3.63Å; Y371-L382 HydrophobicContact CE2-CD1 3.74Å; Y371-M421 HydrophobicContact CD1-CB 4.29Å; Y371-M421 HydrophobicContact CD1-CG 4.08Å; Y371-M421 HydrophobicContact CE1-CB 3.92Å; Y371-M421 HydrophobicContact CE1-CG 4.19Å; Y371-M421 WeakPolarHBondContact CE1-O 3.29Å; Y371-V424 HydrophobicContact CD1-CB 3.95Å; Y371-V424 HydrophobicContact CD1-CG1 3.81Å; Y371-V424 HydrophobicContact CD1-CG2 4.41Å; Y371-V424 HydrophobicContact CD2-CG1 4.49Å; Y371-V424 HydrophobicContact CE1-CB 3.75Å; Y371-V424 HydrophobicContact CE1-CG1 3.77Å; Y371-V424 HydrophobicContact CE2-CG1 4.42Å; Y371-V424 HydrophobicContact CG-CG1 4.18Å; Y371-Y425 WeakPolarHBondContact OH-CB 3.34Å
372	L	95.1	Very high	95	Very high	40 Å²	40	34.9 Å²	34.9	21%	0.209	17%	0.167	C	C	.	.	H	α-helix	trans	-65.4	-40.4	179.5	-177	63.1	0	0	0	111.6	Q368 Y369 L370 H376 Y378 Y387	Q368-L372 WeakPolarHBondContact O-CB 3.14Å; Q368-L372 PolarHBondContact O-N 3.29Å; Y369-L372 PolarHBondContact O-N 3.43Å; L370-L372 PolarHBondContact O-N 2.93Å; L372-H376 WeakPolarHBondContact O-CA 3.31Å; L372-H376 PolarHBondContact O-N 2.98Å; L372-Y378 HydrophobicContact CD1-CD2 3.86Å; L372-Y378 HydrophobicContact CD1-CE2 3.74Å; L372-Y378 HydrophobicContact CD2-CE1 4.34Å; L372-Y378 HydrophobicContact CD2-CE2 4.01Å; L372-Y387 HydrophobicContact CD2-CD2 3.65Å; L372-Y387 HydrophobicContact CD2-CE2 4.11Å
373	N	94	Very high	94.9	Very high	94 Å²	94	34.4 Å²	34.4	50%	0.503	16%	0.164	S	C	.	.	H	α-helix	trans	-70.2	-39.3	-179.3	-174	58.4	0	0	0	112.5	Y369 L370 H376	Y369-N373 VanDerWaalsContact O-CB 3.32Å; Y369-N373 WeakPolarHBondContact O-CB 3.33Å; Y369-N373 PolarHBondContact O-N 3.27Å; L370-N373 PolarHBondContact O-N 3.34Å; N373-H376 PolarHBondContact O-CE1 3.09Å; N373-H376 VanDerWaalsContact O-CE1 3.24Å
374	E	95.4	Very high	94.8	Very high	55 Å²	55	33.1 Å²	33.1	26%	0.257	16%	0.159	S	C	.	.	H	α-helix	trans	-89.8	-35.9	-177.8	-67.4	-163.6	-160.8	0	0	114.2	L370 V424 K427 Y428	L370-E374 PolarHBondContact O-N 3.05Å; E374-V424 HydrophobicContact CB-CG2 3.71Å; E374-V424 HydrophobicContact CG-CG2 4.34Å; E374-V424 WeakPolarHBondContact OE2-CG2 3.45Å; E374-K427 IonicContact OE1-NZ 2.76Å; E374-K427 PolarHBondContact OE1-NZ 2.79Å; E374-K427 IonicContact OE2-NZ 3.45Å; E374-Y428 WeakPolarHBondContact OE1-CE2 3.44Å; E374-Y428 PolarHBondContact OE1-OH 3.17Å
375	C	96.6	Very high	94.7	Very high	13 Å²	13	31 Å²	31	9%	0.088	15%	0.151	C	C	.	.	H	α-helix	trans	-106.1	-7.7	-176.7	-56	0	0	0	0	114	Y371 C377 C420	Y371-C375 WeakPolarHBondContact O-CA 3.35Å; Y371-C375 VanDerWaalsContact O-CB 3.29Å; Y371-C375 WeakPolarHBondContact O-CB 3.45Å; Y371-C375 PolarHBondContact O-N 3.41Å; C375-C377 PolarHBondContact O-N 3.18Å; C375-C377 VanDerWaalsContact O-N 3.13Å; C375-C377 PolarHBondContact O-SG 3.04Å; C375-C420 WeakPolarHBondContact CA-SG 3.23Å; C375-C420 HydrophobicContact CB-CB 4Å; C375-C420 WeakPolarHBondContact CB-SG 3.34Å; C375-C420 WeakPolarHBondContact SG-CB 3.3Å; C375-C420 CovalentContact SG-SG 2.05Å; C375-C420 PolarHBondContact SG-SG 2.94Å
376	H	94.2	Very high	94.5	Very high	159 Å²	159	34.5 Å²	34.5	74%	0.736	16%	0.164	S	C	*	.	S	Bend	trans	59.6	20.9	178.3	-50.6	-51.7	0	0	0	115	L372 N373	L372-H376 WeakPolarHBondContact O-CA 3.31Å; L372-H376 PolarHBondContact O-N 2.98Å; N373-H376 PolarHBondContact O-CE1 3.09Å; N373-H376 VanDerWaalsContact O-CE1 3.24Å
377	C	95.3	Very high	94.1	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.014	17%	0.171	C	C	.	.	S	Bend	trans	-145.2	158.3	175.9	57.2	0	0	0	0	110.2	C375 C403	C375-C377 PolarHBondContact O-N 3.18Å; C375-C377 VanDerWaalsContact O-N 3.13Å; C375-C377 PolarHBondContact O-SG 3.04Å; C377-C403 HydrophobicContact CB-CB 3.98Å; C377-C403 WeakPolarHBondContact CB-SG 3.4Å; C377-C403 PolarHBondContact O-SG 2.79Å; C377-C403 WeakPolarHBondContact SG-CA 3.35Å; C377-C403 WeakPolarHBondContact SG-CB 3.44Å; C377-C403 CovalentContact SG-SG 2.03Å; C377-C403 PolarHBondContact SG-SG 2.97Å
378	Y	95.2	Very high	93	Very high	19 Å²	19	36.7 Å²	36.7	8%	0.075	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-80.7	139.1	-179.5	-79.9	-97.2	0	0	0	111.7	Q368 L372 L384 G385 Y387 P400 I401 L402 C403	Q368-Y378 HydrophobicContact CG-CD1 3.89Å; Q368-Y378 HydrophobicContact CG-CE1 4.18Å; L372-Y378 HydrophobicContact CD1-CD2 3.86Å; L372-Y378 HydrophobicContact CD1-CE2 3.74Å; L372-Y378 HydrophobicContact CD2-CE1 4.34Å; L372-Y378 HydrophobicContact CD2-CE2 4.01Å; Y378-L384 HydrophobicContact CD1-CB 4.34Å; Y378-L384 HydrophobicContact CD1-CD2 3.48Å; Y378-L384 VanDerWaalsContact CD1-CD2 3.48Å; Y378-L384 HydrophobicContact CD1-CG 4.47Å; Y378-L384 HydrophobicContact CE1-CB 4.44Å; Y378-L384 HydrophobicContact CE1-CD2 4.38Å; Y378-L384 HydrophobicContact CG-CD2 3.91Å; Y378-G385 VanDerWaalsContact CE1-O 3.32Å; Y378-G385 WeakPolarHBondContact CE1-O 3.3Å; Y378-G385 PolarHBondContact OH-O 3.43Å; Y378-Y387 HydrophobicContact CE1-CE2 4.15Å; Y378-P400 HydrophobicContact CD1-CB 4.29Å; Y378-P400 HydrophobicContact CD2-CB 3.45Å; Y378-P400 VanDerWaalsContact CD2-CB 3.45Å; Y378-P400 HydrophobicContact CE1-CB 4.32Å; Y378-P400 HydrophobicContact CE2-CB 3.49Å; Y378-P400 VanDerWaalsContact CE2-CB 3.49Å; Y378-P400 HydrophobicContact CG-CB 3.86Å; Y378-I401 PolarHBondContact N-O 2.78Å; Y378-L402 WeakPolarHBondContact O-CA 3.32Å; Y378-C403 PolarHBondContact O-N 3.15Å; Y378-C403 PolarHBondContact O-SG 3.29Å
379	N	94.7	Very high	91.2	Very high	5 Å²	5	42.4 Å²	42.4	3%	0.027	21%	0.207	C	C	.	.			trans	-80.4	122.3	178.7	-179.1	-24.5	0	0	0	108	Q368 Y371 F381 L382 M421	Q368-N379 PolarHBondContact OE1-O 3.19Å; Y371-N379 HydrophobicContact CD1-CB 4.4Å; Y371-N379 HydrophobicContact CD2-CB 3.94Å; Y371-N379 WeakPolarHBondContact CD2-ND2 3.19Å; Y371-N379 WeakPolarHBondContact CE2-ND2 3.08Å; Y371-N379 HydrophobicContact CG-CB 3.9Å; Y371-N379 VanDerWaalsContact CZ-ND2 3.25Å; N379-F381 PolarHBondContact O-N 2.75Å; N379-F381 VanDerWaalsContact O-N 3.09Å; N379-F381 WeakPolarHBondContact OD1-CB 3.44Å; N379-F381 WeakPolarHBondContact OD1-CD2 3.25Å; N379-F381 PolarHBondContact OD1-N 3.45Å; N379-L382 HydrophobicContact CB-CB 4.46Å; N379-L382 HydrophobicContact CB-CD1 4.18Å; N379-L382 HydrophobicContact CB-CG 4.45Å; N379-L382 PolarHBondContact O-N 3.03Å; N379-M421 HydrophobicContact CB-CE 4.21Å; N379-M421 WeakPolarHBondContact OD1-CE 3.41Å
380	P	93.2	Very high	88.9	Confident	3 Å²	3	45.2 Å²	45.2	2%	0.019	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-5.1	-177.5	29.1	-35.4	0	0	0	114.8	S173 N232 L402 L404	S173-P380 VanDerWaalsContact OG-CB 3.27Å; S173-P380 WeakPolarHBondContact OG-CB 3.31Å; N232-P380 PolarHBondContact ND2-O 3.13Å; N232-P380 PolarHBondContact OD1-O 2.72Å; N232-P380 VanDerWaalsContact OD1-O 3.13Å; P380-L402 HydrophobicContact CB-CD2 4.47Å; P380-L404 HydrophobicContact CG-CB 4.4Å; P380-L404 HydrophobicContact CG-CD1 3.75Å; P380-L404 HydrophobicContact CG-CG 3.96Å
381	F	92.6	Very high	86.4	Confident	30 Å²	30	51.1 Å²	51.1	13%	0.132	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-3.4	177.5	-51	-61.7	0	0	0	113.5	L153 F154 I157 I165 S169 Q228 R230 N379 L404 M421	L153-F381 HydrophobicContact CD2-CE2 4.42Å; F154-F381 HydrophobicContact CD1-CZ 4.18Å; F154-F381 HydrophobicContact CE1-CE2 4.42Å; F154-F381 AromaticContact CE1-CZ 3.83Å; F154-F381 HydrophobicContact CE1-CZ 3.83Å; I157-F381 HydrophobicContact CD1-CD1 4.28Å; I157-F381 HydrophobicContact CD1-CD2 4.15Å; I157-F381 HydrophobicContact CD1-CE1 3.9Å; I157-F381 HydrophobicContact CD1-CE2 3.78Å; I157-F381 HydrophobicContact CD1-CG 4.4Å; I157-F381 HydrophobicContact CD1-CZ 3.64Å; I165-F381 HydrophobicContact CG2-CE1 4.41Å; S169-F381 WeakPolarHBondContact OG-CE1 3.29Å; S169-F381 WeakPolarHBondContact OG-CZ 3.34Å; Q228-F381 WeakPolarHBondContact CB-O 3.42Å; R230-F381 VanDerWaalsContact O-CD1 3.28Å; R230-F381 WeakPolarHBondContact O-CD1 3.25Å; R230-F381 WeakPolarHBondContact O-CE1 3.3Å; N379-F381 PolarHBondContact O-N 2.75Å; N379-F381 VanDerWaalsContact O-N 3.09Å; N379-F381 WeakPolarHBondContact OD1-CB 3.44Å; N379-F381 WeakPolarHBondContact OD1-CD2 3.25Å; N379-F381 PolarHBondContact OD1-N 3.45Å; F381-L404 HydrophobicContact CZ-CD1 4.47Å; F381-M421 HydrophobicContact CD2-CE 4.2Å; F381-M421 HydrophobicContact CE2-CE 4.13Å
382	L	93.7	Very high	83.8	Confident	25 Å²	25	55.8 Å²	55.8	13%	0.131	29%	0.287	C	S	.	.	S	Bend	trans	-122.6	153.6	-174.8	-66	174.5	0	0	0	112.3	R364 Q368 Y371 N379 L384	R364-L382 HydrophobicContact CB-CD2 4.41Å; R364-L382 HydrophobicContact CG-CD2 4.48Å; Q368-L382 HydrophobicContact CB-CB 3.99Å; Q368-L382 HydrophobicContact CB-CD1 4.15Å; Y371-L382 HydrophobicContact CD2-CD1 3.63Å; Y371-L382 HydrophobicContact CE2-CD1 3.74Å; N379-L382 HydrophobicContact CB-CB 4.46Å; N379-L382 HydrophobicContact CB-CD1 4.18Å; N379-L382 HydrophobicContact CB-CG 4.45Å; N379-L382 PolarHBondContact O-N 3.03Å; L382-L384 PolarHBondContact O-N 2.99Å
383	P	93.7	Very high	81.5	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.006	32%	0.319	C	S	.	.			trans	-61.9	135.9	176.5	-7.3	17.2	0	0	0	111.7	Q228 F288 L361 R364 I365 Q368 G385	Q228-P383 VanDerWaalsContact CD-CA 3.41Å; Q228-P383 HydrophobicContact CG-CG 4.35Å; Q228-P383 VanDerWaalsContact NE2-CA 3.27Å; Q228-P383 VanDerWaalsContact OE1-CG 3.31Å; F288-P383 HydrophobicContact CZ-CG 4.41Å; L361-P383 HydrophobicContact CD1-CB 4.4Å; L361-P383 HydrophobicContact CD1-CG 3.99Å; R364-P383 HydrophobicContact CB-CG 4.03Å; I365-P383 HydrophobicContact CD1-CB 3.94Å; I365-P383 HydrophobicContact CD1-CG 4.43Å; Q368-P383 WeakPolarHBondContact CG-O 3.44Å; P383-G385 PolarHBondContact O-N 2.9Å
384	L	92.6	Very high	79	Confident	6 Å²	6	63.7 Å²	63.7	3%	0.031	33%	0.33	C	S	.	.			trans	-80.9	86.5	-176.1	-55.9	-177.2	0	0	0	110	L344 Y345 F349 Y378 L382 P400 L402	L344-L384 WeakPolarHBondContact CA-O 3.49Å; Y345-L384 HydrophobicContact CD2-CB 4.04Å; Y345-L384 WeakPolarHBondContact CD2-O 3.5Å; Y345-L384 PolarHBondContact N-O 2.77Å; F349-L384 HydrophobicContact CD1-CD1 3.41Å; F349-L384 VanDerWaalsContact CD1-CD1 3.41Å; F349-L384 HydrophobicContact CE1-CD1 3.16Å; F349-L384 HydrophobicContact CZ-CD1 4.21Å; Y378-L384 HydrophobicContact CD1-CB 4.34Å; Y378-L384 HydrophobicContact CD1-CD2 3.48Å; Y378-L384 VanDerWaalsContact CD1-CD2 3.48Å; Y378-L384 HydrophobicContact CD1-CG 4.47Å; Y378-L384 HydrophobicContact CE1-CB 4.44Å; Y378-L384 HydrophobicContact CE1-CD2 4.38Å; Y378-L384 HydrophobicContact CG-CD2 3.91Å; L382-L384 PolarHBondContact O-N 2.99Å; L384-P400 HydrophobicContact CD1-CB 4.42Å; L384-P400 HydrophobicContact CD1-CG 4.14Å; L384-L402 HydrophobicContact CD1-CD2 4.33Å; L384-L402 HydrophobicContact CD2-CD2 3.85Å
385	G	92	Very high	76.6	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-67.4	141.4	171.8	0	0	0	0	0	112.2	Y378 P383 Y387	Y378-G385 VanDerWaalsContact CE1-O 3.32Å; Y378-G385 WeakPolarHBondContact CE1-O 3.3Å; Y378-G385 PolarHBondContact OH-O 3.43Å; P383-G385 PolarHBondContact O-N 2.9Å; G385-Y387 VanDerWaalsContact O-CD2 3.28Å; G385-Y387 WeakPolarHBondContact O-CD2 3.46Å; G385-Y387 WeakPolarHBondContact O-CE2 3.38Å
386	Y	91.3	Very high	74.1	Confident	84 Å²	84	73.7 Å²	73.7	33%	0.329	38%	0.382	S	S	.	.			trans	-91	115.1	167.2	175	-113.5	0	0	0	109.8	I343 Y345 K352 G388	I343-Y386 HydrophobicContact CB-CD1 4.34Å; I343-Y386 HydrophobicContact CD1-CD1 4.37Å; I343-Y386 HydrophobicContact CG2-CD1 4.08Å; I343-Y386 HydrophobicContact CG2-CG 4.36Å; I343-Y386 PolarHBondContact O-N 3.26Å; Y345-Y386 HydrophobicContact CE2-CD2 4.2Å; Y345-Y386 AromaticContact CZ-CD2 3.9Å; Y345-Y386 WeakPolarHBondContact OH-CD2 3.44Å; K352-Y386 HydrophobicContact CD-CD1 4.12Å; K352-Y386 HydrophobicContact CD-CD2 3.91Å; K352-Y386 HydrophobicContact CD-CE1 4.48Å; K352-Y386 HydrophobicContact CD-CE2 4.3Å; K352-Y386 HydrophobicContact CD-CG 3.8Å; K352-Y386 VanDerWaalsContact NZ-CD2 3.29Å; Y386-G388 VanDerWaalsContact CZ-CA 3.42Å
387	Y	86.7	Confident	72	Confident	61 Å²	61	74.3 Å²	74.3	24%	0.239	39%	0.391	C	S	.	.			trans	-108.7	76.2	178.1	-46.2	-84.1	0	0	0	107.6	I365 Q368 Y369 L372 Y378 G385	I365-Y387 HydrophobicContact CG2-CE1 3.77Å; I365-Y387 PolarHBondContact O-OH 3.11Å; Q368-Y387 WeakPolarHBondContact CB-OH 3.32Å; Q368-Y387 HydrophobicContact CG-CE2 4.26Å; Q368-Y387 WeakPolarHBondContact CG-OH 3.48Å; Y369-Y387 AromaticContact CD2-CD1 3.61Å; Y369-Y387 HydrophobicContact CD2-CD1 3.61Å; Y369-Y387 HydrophobicContact CD2-CD2 4.33Å; Y369-Y387 AromaticContact CD2-CE1 3.97Å; Y369-Y387 HydrophobicContact CD2-CE1 3.97Å; Y369-Y387 AromaticContact CD2-CG 3.81Å; Y369-Y387 HydrophobicContact CD2-CG 3.81Å; Y369-Y387 HydrophobicContact CE2-CD1 4.45Å; Y369-Y387 HydrophobicContact CG-CD1 4.29Å; Y369-Y387 HydrophobicContact CG-CE1 4.22Å; Y369-Y387 PolarHBondContact N-OH 3.07Å; L372-Y387 HydrophobicContact CD2-CD2 3.65Å; L372-Y387 HydrophobicContact CD2-CE2 4.11Å; Y378-Y387 HydrophobicContact CE1-CE2 4.15Å; G385-Y387 VanDerWaalsContact O-CD2 3.28Å; G385-Y387 WeakPolarHBondContact O-CD2 3.46Å; G385-Y387 WeakPolarHBondContact O-CE2 3.38Å
388	G	73.4	Confident	70.8	Confident	33 Å²	33	80.6 Å²	80.6	34%	0.34	42%	0.42	S	S	.	.			trans	-55.1	143.9	179.3	0	0	0	0	0	111.5	Y386 N390	Y386-G388 VanDerWaalsContact CZ-CA 3.42Å; G388-N390 PolarHBondContact O-N 2.7Å
389	N	56.7	Low	70.2	Confident	120 Å²	120	83.7 Å²	83.7	64%	0.642	43%	0.434	S	S	*	.			trans	-83.6	109.7	174.8	-149.7	-1.8	0	0	0	107.9	N391	N389-N391 PolarHBondContact O-N 2.86Å
390	N	47.4	Very low	70	Confident	164 Å²	164	83.8 Å²	83.8	88%	0.877	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-7.3	-178.1	-85.3	-15	0	0	0	114.3	G388	G388-N390 PolarHBondContact O-N 2.7Å
391	N	44.9	Very low	69.9	Low	137 Å²	137	87.1 Å²	87.1	73%	0.733	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.7	4.5	-170.5	-76	-19.3	0	0	0	116.5	N389	N389-N391 PolarHBondContact O-N 2.86Å
392	N	42.4	Very low	70.1	Confident	121 Å²	121	85.8 Å²	85.8	65%	0.647	45%	0.446	S	S	*	.			trans	-154.6	91.1	173	-81.8	-42.2	0	0	0	111	N394	N392-N394 PolarHBondContact O-N 2.95Å
393	D	46	Very low	70.2	Confident	164 Å²	164	84.6 Å²	84.6	88%	0.877	44%	0.44	S	S	*	.			trans	-70.3	10.9	170.1	-87.8	-31.9	0	0	0	113.8
394	N	40.8	Very low	70.3	Confident	135 Å²	135	84.6 Å²	84.6	72%	0.722	44%	0.439	S	S	*	.	S	Bend	trans	-108.6	104.5	178	-74.9	-22.5	0	0	0	110.6	N392	N392-N394 PolarHBondContact O-N 2.95Å
395	Q	45.3	Very low	70.5	Confident	182 Å²	182	85.4 Å²	85.4	85%	0.85	44%	0.444	S	S	*	.	S	Bend	trans	55.5	92	158.5	-65.4	163.8	-21.1	0	0	113.6
396	T	44.7	Very low	70.7	Confident	97 Å²	97	86.3 Å²	86.3	60%	0.595	45%	0.448	S	S	*	.				-142.8	129.4	85.7	47.3	0	0	0	0	112.6	E398	T396-E398 VanDerWaalsContact CB-OE1 3.28Å; T396-E398 WeakPolarHBondContact CB-OE1 3.36Å; T396-E398 HydrophobicContact CG2-CG 4.41Å; T396-E398 VanDerWaalsContact CG2-OE1 3.3Å; T396-E398 WeakPolarHBondContact CG2-OE1 3.47Å; T396-E398 PolarHBondContact O-N 2.76Å; T396-E398 PolarHBondContact OG1-OE1 2.96Å
397	N	49.6	Very low	70.9	Confident	172 Å²	172	86.3 Å²	86.3	92%	0.92	46%	0.46	S	S	*	.			trans	-66.6	57.5	157	-78.7	-26.2	0	0	0	109.3	K399	N397-K399 PolarHBondContact O-N 3.01Å
398	E	69.2	Low	71.2	Confident	133 Å²	133	87.5 Å²	87.5	62%	0.621	47%	0.47	S	S	*	.			trans	-73.6	98.1	178.2	-97.4	166.4	-131.8	0	0	108.7	T396	T396-E398 VanDerWaalsContact CB-OE1 3.28Å; T396-E398 WeakPolarHBondContact CB-OE1 3.36Å; T396-E398 HydrophobicContact CG2-CG 4.41Å; T396-E398 VanDerWaalsContact CG2-OE1 3.3Å; T396-E398 WeakPolarHBondContact CG2-OE1 3.47Å; T396-E398 PolarHBondContact O-N 2.76Å; T396-E398 PolarHBondContact OG1-OE1 2.96Å
399	K	83	Confident	72.3	Confident	85 Å²	85	87.7 Å²	87.7	37%	0.37	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-51.3	136.2	164.2	-178	-175.2	-176.7	-171.1	0	108.6	F349 N397 I401	F349-K399 HydrophobicContact CB-CD 4.33Å; F349-K399 HydrophobicContact CB-CG 3.78Å; N397-K399 PolarHBondContact O-N 3.01Å; K399-I401 PolarHBondContact O-N 2.87Å
400	P	90.1	Very high	74.2	Confident	7 Å²	7	86.3 Å²	86.3	5%	0.045	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-59.4	126.6	176.7	26	-35.1	0	0	0	110.3	Y345 F349 Y378 L384	Y345-P400 HydrophobicContact CD1-CG 4.17Å; Y345-P400 HydrophobicContact CD2-CB 4.44Å; Y345-P400 HydrophobicContact CD2-CG 3.97Å; Y345-P400 HydrophobicContact CE1-CG 4.29Å; Y345-P400 HydrophobicContact CE2-CB 4.32Å; Y345-P400 HydrophobicContact CE2-CG 4.11Å; Y345-P400 HydrophobicContact CG-CG 4Å; F349-P400 HydrophobicContact CB-CG 3.74Å; F349-P400 HydrophobicContact CD1-CG 4.11Å; F349-P400 HydrophobicContact CG-CG 4.12Å; F349-P400 WeakPolarHBondContact O-CD 3.33Å; Y378-P400 HydrophobicContact CD1-CB 4.29Å; Y378-P400 HydrophobicContact CD2-CB 3.45Å; Y378-P400 VanDerWaalsContact CD2-CB 3.45Å; Y378-P400 HydrophobicContact CE1-CB 4.32Å; Y378-P400 HydrophobicContact CE2-CB 3.49Å; Y378-P400 VanDerWaalsContact CE2-CB 3.49Å; Y378-P400 HydrophobicContact CG-CB 3.86Å; L384-P400 HydrophobicContact CD1-CB 4.42Å; L384-P400 HydrophobicContact CD1-CG 4.14Å
401	I	92.7	Very high	76.5	Confident	72 Å²	72	81.6 Å²	81.6	37%	0.369	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-97.6	118.6	176.4	-63.2	171.6	0	0	0	108.2	Y378 K399 I408 F409	Y378-I401 PolarHBondContact N-O 2.78Å; K399-I401 PolarHBondContact O-N 2.87Å; I401-I408 HydrophobicContact CG1-CD1 4.25Å; I401-I408 HydrophobicContact CG2-CD1 3.76Å; I401-I408 HydrophobicContact CG2-CG2 4.31Å; I401-F409 HydrophobicContact CG2-CE2 3.69Å; I401-F409 HydrophobicContact CG2-CZ 3.78Å
402	L	95	Very high	79.1	Confident	3 Å²	3	82.4 Å²	82.4	2%	0.016	42%	0.424	C	S	.	.	B	Isolated β-bridge	trans	-77.3	135.2	177.9	-62	175.6	0	0	0	110.7	F349 Y378 P380 L384 L404 N405 F409	F349-L402 HydrophobicContact CE2-CD1 4.35Å; F349-L402 HydrophobicContact CZ-CD1 3.97Å; Y378-L402 WeakPolarHBondContact O-CA 3.32Å; P380-L402 HydrophobicContact CB-CD2 4.47Å; L384-L402 HydrophobicContact CD1-CD2 4.33Å; L384-L402 HydrophobicContact CD2-CD2 3.85Å; L402-L404 PolarHBondContact O-N 3.03Å; L402-N405 VanDerWaalsContact O-CB 3.3Å; L402-N405 WeakPolarHBondContact O-CB 3.43Å; L402-N405 PolarHBondContact O-N 3.09Å; L402-F409 WeakPolarHBondContact O-CE2 3.27Å
403	C	96.7	Very high	81.7	Confident	0 Å²	0	80.3 Å²	80.3	0%	0	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-26	-176.2	-65.8	0	0	0	0	114.3	C377 Y378 N417 M421	C377-C403 HydrophobicContact CB-CB 3.98Å; C377-C403 WeakPolarHBondContact CB-SG 3.4Å; C377-C403 PolarHBondContact O-SG 2.79Å; C377-C403 WeakPolarHBondContact SG-CA 3.35Å; C377-C403 WeakPolarHBondContact SG-CB 3.44Å; C377-C403 CovalentContact SG-SG 2.03Å; C377-C403 PolarHBondContact SG-SG 2.97Å; Y378-C403 PolarHBondContact O-N 3.15Å; Y378-C403 PolarHBondContact O-SG 3.29Å; C403-N417 HydrophobicContact CB-CB 4.27Å; C403-N417 PolarHBondContact O-ND2 2.89Å; C403-M421 HydrophobicContact CB-CG 4.45Å; C403-M421 HydrophobicContact CB-SD 3.51Å; C403-M421 VanDerWaalsContact CB-SD 3.51Å
404	L	96.6	Very high	84.2	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	19	-177.9	-56.9	-175.6	0	0	0	113.4	F154 L170 S173 P380 F381 L402 M406 I418	F154-L404 HydrophobicContact CE1-CD1 4.1Å; F154-L404 HydrophobicContact CZ-CD1 3.93Å; L170-L404 HydrophobicContact CD2-CB 4.18Å; S173-L404 WeakPolarHBondContact CB-O 3.48Å; P380-L404 HydrophobicContact CG-CB 4.4Å; P380-L404 HydrophobicContact CG-CD1 3.75Å; P380-L404 HydrophobicContact CG-CG 3.96Å; F381-L404 HydrophobicContact CZ-CD1 4.47Å; L402-L404 PolarHBondContact O-N 3.03Å; L404-M406 PolarHBondContact O-N 3.27Å; L404-I418 HydrophobicContact CD2-CD1 4.08Å; L404-I418 HydrophobicContact CD2-CG1 3.54Å
405	N	95.7	Very high	86.9	Confident	24 Å²	24	68.3 Å²	68.3	13%	0.128	35%	0.346	C	S	.	.			trans	-74.7	106	177.9	-171.3	-46.7	0	0	0	111.5	S173 L402 S407 I408 F409	S173-N405 WeakPolarHBondContact O-CB 3.14Å; S173-N405 PolarHBondContact O-ND2 3.23Å; L402-N405 VanDerWaalsContact O-CB 3.3Å; L402-N405 WeakPolarHBondContact O-CB 3.43Å; L402-N405 PolarHBondContact O-N 3.09Å; N405-S407 PolarHBondContact O-N 3.04Å; N405-S407 WeakPolarHBondContact OD1-CA 3.42Å; N405-S407 WeakPolarHBondContact OD1-CB 3.45Å; N405-S407 PolarHBondContact OD1-N 3.34Å; N405-I408 HydrophobicContact CB-CB 4.4Å; N405-I408 HydrophobicContact CB-CD1 4.27Å; N405-I408 HydrophobicContact CB-CG1 4.49Å; N405-I408 PolarHBondContact O-N 3.4Å; N405-I408 PolarHBondContact OD1-N 2.89Å; N405-F409 PolarHBondContact O-N 3.34Å
406	M	96.9	Very high	89.4	Confident	19 Å²	19	63.9 Å²	63.9	9%	0.094	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-14.7	-178	-56.5	-179.1	-71.4	0	0	113.9	Y138 L141 A142 L145 L170 T174 L404 L414	Y138-M406 HydrophobicContact CD1-CE 4.44Å; L141-M406 HydrophobicContact CD2-CB 4.26Å; L141-M406 HydrophobicContact CD2-CE 4.31Å; L141-M406 HydrophobicContact CD2-SD 4.2Å; L141-M406 HydrophobicContact CG-SD 4.05Å; A142-M406 HydrophobicContact CB-CE 4.06Å; A142-M406 HydrophobicContact CB-SD 4.06Å; L145-M406 HydrophobicContact CD1-CG 4.04Å; L145-M406 HydrophobicContact CD1-SD 3.66Å; L170-M406 HydrophobicContact CB-CE 4.07Å; L170-M406 HydrophobicContact CB-CG 4.21Å; L170-M406 HydrophobicContact CB-SD 3.78Å; L170-M406 HydrophobicContact CD2-CG 3.86Å; L170-M406 HydrophobicContact CD2-SD 4.21Å; L170-M406 HydrophobicContact CG-SD 4.39Å; T174-M406 HydrophobicContact CG2-CB 3.97Å; T174-M406 HydrophobicContact CG2-CE 4.2Å; T174-M406 WeakPolarHBondContact OG1-CB 3.44Å; T174-M406 WeakPolarHBondContact OG1-CE 3.44Å; T174-M406 WeakPolarHBondContact OG1-CG 3.17Å; T174-M406 PolarHBondContact OG1-N 2.96Å; L404-M406 PolarHBondContact O-N 3.27Å; M406-L414 HydrophobicContact CG-CD1 4.3Å
407	S	94.4	Very high	91.9	Very high	83 Å²	83	60.3 Å²	60.3	58%	0.58	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-18.5	175.9	-63.6	0	0	0	0	112.7	T174 N405	T174-S407 WeakPolarHBondContact CG2-OG 3.42Å; N405-S407 PolarHBondContact O-N 3.04Å; N405-S407 WeakPolarHBondContact OD1-CA 3.42Å; N405-S407 WeakPolarHBondContact OD1-CB 3.45Å; N405-S407 PolarHBondContact OD1-N 3.34Å
408	I	94	Very high	94.2	Very high	86 Å²	86	52.1 Å²	52.1	44%	0.441	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-43.2	-179.9	-63.7	172.4	0	0	0	110.7	I401 N405	I401-I408 HydrophobicContact CG1-CD1 4.25Å; I401-I408 HydrophobicContact CG2-CD1 3.76Å; I401-I408 HydrophobicContact CG2-CG2 4.31Å; N405-I408 HydrophobicContact CB-CB 4.4Å; N405-I408 HydrophobicContact CB-CD1 4.27Å; N405-I408 HydrophobicContact CB-CG1 4.49Å; N405-I408 PolarHBondContact O-N 3.4Å; N405-I408 PolarHBondContact OD1-N 2.89Å
409	F	97	Very high	95.6	Very high	38 Å²	38	49 Å²	49	17%	0.167	25%	0.248	C	C	.	.	S	Bend	trans	-103.9	133.2	-174.1	-60.6	-65.5	0	0	0	111.8	I401 L402 N405 Q413 L414 N417	I401-F409 HydrophobicContact CG2-CE2 3.69Å; I401-F409 HydrophobicContact CG2-CZ 3.78Å; L402-F409 WeakPolarHBondContact O-CE2 3.27Å; N405-F409 PolarHBondContact O-N 3.34Å; F409-Q413 HydrophobicContact CB-CB 3.91Å; F409-Q413 HydrophobicContact CD1-CB 3.95Å; F409-Q413 HydrophobicContact CG-CB 4.34Å; F409-L414 HydrophobicContact CB-CD2 3.84Å; F409-L414 HydrophobicContact CB-CG 3.87Å; F409-N417 WeakPolarHBondContact CD2-ND2 3.33Å
410	N	96	Very high	96.3	Very high	90 Å²	90	45.4 Å²	45.4	48%	0.481	23%	0.234	S	C	.	.			trans	-74.7	170.1	168.2	67.4	41.3	0	0	0	111.4	K412 Q413 L414	N410-K412 VanDerWaalsContact C-N 3.32Å; N410-K412 PolarHBondContact O-N 2.8Å; N410-K412 PolarHBondContact OD1-N 3.39Å; N410-Q413 PolarHBondContact ND2-OE1 3.39Å; N410-Q413 WeakPolarHBondContact O-CB 3.37Å; N410-Q413 PolarHBondContact O-N 3.46Å; N410-Q413 WeakPolarHBondContact OD1-CG 3.03Å; N410-Q413 PolarHBondContact OD1-N 2.05Å; N410-L414 WeakPolarHBondContact O-CG 3.45Å; N410-L414 PolarHBondContact O-N 2.98Å
411	E	96.6	Very high	96.7	Very high	65 Å²	65	45 Å²	45	30%	0.304	23%	0.232	S	C	.	.	H	α-helix	trans	-52.6	-44.7	-177.7	-175.9	174.3	161.5	0	0	113.6	L145 R148 Q413 L414 I415	L145-E411 HydrophobicContact CD2-CB 4.01Å; L145-E411 HydrophobicContact CD2-CG 3.97Å; R148-E411 WeakPolarHBondContact CD-OE1 3.36Å; R148-E411 IonicContact CZ-OE1 3.53Å; R148-E411 IonicContact CZ-OE2 3.9Å; R148-E411 VanDerWaalsContact CZ-OE2 3.29Å; R148-E411 IonicContact NE-OE1 2.72Å; R148-E411 IonicContact NH1-OE1 2.75Å; R148-E411 PolarHBondContact NH1-OE1 3.36Å; R148-E411 IonicContact NH1-OE2 3.19Å; R148-E411 PolarHBondContact NH1-OE2 3.36Å; R148-E411 IonicContact NH2-OE2 3.41Å; E411-Q413 VanDerWaalsContact C-N 3.35Å; E411-Q413 PolarHBondContact O-N 3.12Å; E411-L414 PolarHBondContact O-N 3.03Å; E411-I415 HydrophobicContact CG-CD1 4.36Å; E411-I415 WeakPolarHBondContact O-CG1 3.49Å; E411-I415 PolarHBondContact O-N 3.48Å
412	K	97.5	Very high	96.9	Very high	154 Å²	154	43.7 Å²	43.7	67%	0.67	22%	0.222	S	C	*	.	H	α-helix	trans	-64.3	-39.9	178.6	-175.3	178.5	179.8	180	0	112	N410 N416	N410-K412 VanDerWaalsContact C-N 3.32Å; N410-K412 PolarHBondContact O-N 2.8Å; N410-K412 PolarHBondContact OD1-N 3.39Å; K412-N416 VanDerWaalsContact O-CG 3.24Å; K412-N416 PolarHBondContact O-N 3.12Å; K412-N416 VanDerWaalsContact O-N 3.13Å; K412-N416 PolarHBondContact O-ND2 3.41Å; K412-N416 PolarHBondContact O-OD1 3.21Å
413	Q	97.7	Very high	97	Very high	78 Å²	78	50.2 Å²	50.2	36%	0.364	25%	0.247	S	C	.	.	H	α-helix	trans	-68.9	-39.3	176	-70.9	169.1	-41.3	0	0	111.7	F409 N410 E411 I415 N416 N417	F409-Q413 HydrophobicContact CB-CB 3.91Å; F409-Q413 HydrophobicContact CD1-CB 3.95Å; F409-Q413 HydrophobicContact CG-CB 4.34Å; N410-Q413 PolarHBondContact ND2-OE1 3.39Å; N410-Q413 WeakPolarHBondContact O-CB 3.37Å; N410-Q413 PolarHBondContact O-N 3.46Å; N410-Q413 WeakPolarHBondContact OD1-CG 3.03Å; N410-Q413 PolarHBondContact OD1-N 2.05Å; E411-Q413 VanDerWaalsContact C-N 3.35Å; E411-Q413 PolarHBondContact O-N 3.12Å; Q413-I415 PolarHBondContact O-N 3.3Å; Q413-N416 PolarHBondContact O-N 2.97Å; Q413-N417 WeakPolarHBondContact O-CB 3.38Å; Q413-N417 PolarHBondContact O-N 3.36Å; Q413-N417 PolarHBondContact O-OD1 2.68Å
414	L	97.8	Very high	97	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.8	-44.2	174.8	-72.4	170.4	0	0	0	111.5	L145 L149 M406 F409 N410 E411 N417 I418	L145-L414 HydrophobicContact CD1-CD1 4.18Å; L149-L414 HydrophobicContact CD2-CB 3.96Å; M406-L414 HydrophobicContact CG-CD1 4.3Å; F409-L414 HydrophobicContact CB-CD2 3.84Å; F409-L414 HydrophobicContact CB-CG 3.87Å; N410-L414 WeakPolarHBondContact O-CG 3.45Å; N410-L414 PolarHBondContact O-N 2.98Å; E411-L414 PolarHBondContact O-N 3.03Å; L414-N417 PolarHBondContact O-N 3.39Å; L414-I418 VanDerWaalsContact O-CG1 3.28Å; L414-I418 WeakPolarHBondContact O-CG1 3.27Å; L414-I418 PolarHBondContact O-N 3.34Å
415	I	97.9	Very high	97	Very high	47 Å²	47	53.6 Å²	53.6	24%	0.241	26%	0.26	C	S	.	.	H	α-helix	trans	-57.5	-51.7	173.9	-66.6	168.4	0	0	0	110.1	L149 P150 E411 Q413 N417 I418 D419	L149-I415 HydrophobicContact CD2-CD1 4.49Å; L149-I415 HydrophobicContact CD2-CG1 3.55Å; P150-I415 HydrophobicContact CG-CG2 4.34Å; E411-I415 HydrophobicContact CG-CD1 4.36Å; E411-I415 WeakPolarHBondContact O-CG1 3.49Å; E411-I415 PolarHBondContact O-N 3.48Å; Q413-I415 PolarHBondContact O-N 3.3Å; I415-N417 VanDerWaalsContact C-N 3.28Å; I415-N417 PolarHBondContact O-N 3.48Å; I415-I418 PolarHBondContact O-N 2.9Å; I415-D419 WeakPolarHBondContact O-CB 3.07Å; I415-D419 VanDerWaalsContact O-CG 3.32Å; I415-D419 PolarHBondContact O-N 3.39Å
416	N	97.9	Very high	97	Very high	88 Å²	88	57.4 Å²	57.4	47%	0.471	28%	0.277	S	S	.	.	H	α-helix	trans	-58.8	-38.9	178.7	-68.4	-15.4	0	0	0	112.7	K412 Q413 C420	K412-N416 VanDerWaalsContact O-CG 3.24Å; K412-N416 PolarHBondContact O-N 3.12Å; K412-N416 VanDerWaalsContact O-N 3.13Å; K412-N416 PolarHBondContact O-ND2 3.41Å; K412-N416 PolarHBondContact O-OD1 3.21Å; Q413-N416 PolarHBondContact O-N 2.97Å; N416-C420 VanDerWaalsContact O-CB 3.25Å; N416-C420 WeakPolarHBondContact O-CB 3.12Å; N416-C420 PolarHBondContact O-N 2.81Å
417	N	97.8	Very high	96.9	Very high	22 Å²	22	60.7 Å²	60.7	12%	0.118	29%	0.291	C	S	.	.	H	α-helix	trans	-67.2	-45.1	178.3	-71.3	-4.9	0	0	0	110.9	C403 F409 Q413 L414 I415 C420 M421	C403-N417 HydrophobicContact CB-CB 4.27Å; C403-N417 PolarHBondContact O-ND2 2.89Å; F409-N417 WeakPolarHBondContact CD2-ND2 3.33Å; Q413-N417 WeakPolarHBondContact O-CB 3.38Å; Q413-N417 PolarHBondContact O-N 3.36Å; Q413-N417 PolarHBondContact O-OD1 2.68Å; L414-N417 PolarHBondContact O-N 3.39Å; I415-N417 VanDerWaalsContact C-N 3.28Å; I415-N417 PolarHBondContact O-N 3.48Å; N417-C420 PolarHBondContact O-N 3Å; N417-M421 WeakPolarHBondContact O-CB 3.43Å; N417-M421 VanDerWaalsContact O-CG 3.25Å; N417-M421 WeakPolarHBondContact O-CG 3.34Å; N417-M421 PolarHBondContact O-N 2.9Å
418	I	97.7	Very high	97	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-63.1	-45.8	177.2	-65.9	162	0	0	0	110.4	L149 P150 L153 F154 L404 L414 I415 C420 M421 Y422	L149-I418 HydrophobicContact CB-CD1 3.98Å; L149-I418 HydrophobicContact CD1-CD1 3.96Å; L149-I418 HydrophobicContact CD2-CD1 4.04Å; L149-I418 HydrophobicContact CG-CD1 4.19Å; P150-I418 HydrophobicContact CG-CB 4.05Å; P150-I418 HydrophobicContact CG-CG2 3.74Å; L153-I418 HydrophobicContact CB-CG2 4.12Å; L153-I418 HydrophobicContact CD2-CG2 4.22Å; F154-I418 HydrophobicContact CE2-CD1 4.27Å; F154-I418 HydrophobicContact CE2-CG1 4.49Å; F154-I418 HydrophobicContact CE2-CG2 4.22Å; L404-I418 HydrophobicContact CD2-CD1 4.08Å; L404-I418 HydrophobicContact CD2-CG1 3.54Å; L414-I418 VanDerWaalsContact O-CG1 3.28Å; L414-I418 WeakPolarHBondContact O-CG1 3.27Å; L414-I418 PolarHBondContact O-N 3.34Å; I415-I418 PolarHBondContact O-N 2.9Å; I418-C420 VanDerWaalsContact C-N 3.31Å; I418-C420 PolarHBondContact O-N 2.78Å; I418-M421 PolarHBondContact O-N 2.84Å; I418-Y422 WeakPolarHBondContact O-CB 3.29Å; I418-Y422 PolarHBondContact O-N 3.32Å
419	D	97.7	Very high	97	Very high	66 Å²	66	59.1 Å²	59.1	35%	0.353	27%	0.274	S	S	.	.	H	α-helix	trans	-62.5	-39.7	177.4	-70.4	-19.2	0	0	0	111.5	P150 I415 Y422 R423	P150-D419 WeakPolarHBondContact CG-OD1 3.44Å; I415-D419 WeakPolarHBondContact O-CB 3.07Å; I415-D419 VanDerWaalsContact O-CG 3.32Å; I415-D419 PolarHBondContact O-N 3.39Å; D419-Y422 PolarHBondContact O-N 3Å; D419-R423 WeakPolarHBondContact O-CB 3.09Å; D419-R423 PolarHBondContact O-N 2.76Å
420	C	98.3	Very high	96.8	Very high	10 Å²	10	61.4 Å²	61.4	7%	0.068	29%	0.288	C	S	.	.	H	α-helix	trans	-62.4	-49.9	174.1	-176	0	0	0	0	111.3	C375 N416 N417 I418 Y422 R423 V424	C375-C420 WeakPolarHBondContact CA-SG 3.23Å; C375-C420 HydrophobicContact CB-CB 4Å; C375-C420 WeakPolarHBondContact CB-SG 3.34Å; C375-C420 WeakPolarHBondContact SG-CB 3.3Å; C375-C420 CovalentContact SG-SG 2.05Å; C375-C420 PolarHBondContact SG-SG 2.94Å; N416-C420 VanDerWaalsContact O-CB 3.25Å; N416-C420 WeakPolarHBondContact O-CB 3.12Å; N416-C420 PolarHBondContact O-N 2.81Å; N417-C420 PolarHBondContact O-N 3Å; I418-C420 VanDerWaalsContact C-N 3.31Å; I418-C420 PolarHBondContact O-N 2.78Å; C420-Y422 VanDerWaalsContact C-N 3.28Å; C420-Y422 PolarHBondContact O-N 2.8Å; C420-R423 PolarHBondContact O-N 3.02Å; C420-V424 WeakPolarHBondContact O-CG2 3.08Å; C420-V424 PolarHBondContact O-N 2.59Å
421	M	97.7	Very high	96.6	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-57.8	-44.4	177.7	-72.1	172.1	69.9	0	0	111	L153 Y371 N379 F381 C403 N417 I418 R423 V424 Y425	L153-M421 HydrophobicContact CD2-CB 3.88Å; L153-M421 HydrophobicContact CD2-CE 3.84Å; L153-M421 HydrophobicContact CD2-SD 4.26Å; Y371-M421 HydrophobicContact CD1-CB 4.29Å; Y371-M421 HydrophobicContact CD1-CG 4.08Å; Y371-M421 HydrophobicContact CE1-CB 3.92Å; Y371-M421 HydrophobicContact CE1-CG 4.19Å; Y371-M421 WeakPolarHBondContact CE1-O 3.29Å; N379-M421 HydrophobicContact CB-CE 4.21Å; N379-M421 WeakPolarHBondContact OD1-CE 3.41Å; F381-M421 HydrophobicContact CD2-CE 4.2Å; F381-M421 HydrophobicContact CE2-CE 4.13Å; C403-M421 HydrophobicContact CB-CG 4.45Å; C403-M421 HydrophobicContact CB-SD 3.51Å; C403-M421 VanDerWaalsContact CB-SD 3.51Å; N417-M421 WeakPolarHBondContact O-CB 3.43Å; N417-M421 VanDerWaalsContact O-CG 3.25Å; N417-M421 WeakPolarHBondContact O-CG 3.34Å; N417-M421 PolarHBondContact O-N 2.9Å; I418-M421 PolarHBondContact O-N 2.84Å; M421-R423 PolarHBondContact O-N 3.08Å; M421-V424 PolarHBondContact O-N 3.16Å; M421-Y425 WeakPolarHBondContact O-CB 3.4Å; M421-Y425 PolarHBondContact O-N 2.7Å
422	Y	97.6	Very high	96.5	Very high	43 Å²	43	66.3 Å²	66.3	17%	0.169	32%	0.316	C	S	.	.	H	α-helix	trans	-62.9	-42	178.3	-173.9	-125.5	0	0	0	112.5	D152 L153 H156 I418 D419 C420 Y425 Q426	D152-Y422 HydrophobicContact CB-CD1 4Å; D152-Y422 HydrophobicContact CB-CD2 4.34Å; D152-Y422 HydrophobicContact CB-CE1 3.71Å; D152-Y422 HydrophobicContact CB-CE2 4.12Å; D152-Y422 HydrophobicContact CB-CG 4.3Å; L153-Y422 HydrophobicContact CB-CD2 4.28Å; L153-Y422 HydrophobicContact CD1-CD2 4.39Å; H156-Y422 AromaticContact CD2-CE2 3.52Å; H156-Y422 AromaticContact NE2-CE2 3.87Å; H156-Y422 PolarHBondContact NE2-OH 3.11Å; I418-Y422 WeakPolarHBondContact O-CB 3.29Å; I418-Y422 PolarHBondContact O-N 3.32Å; D419-Y422 PolarHBondContact O-N 3Å; C420-Y422 VanDerWaalsContact C-N 3.28Å; C420-Y422 PolarHBondContact O-N 2.8Å; Y422-Y425 HydrophobicContact CD2-CD1 4.14Å; Y422-Y425 HydrophobicContact CE2-CD1 4.09Å; Y422-Y425 WeakPolarHBondContact O-CB 3.34Å; Y422-Y425 PolarHBondContact O-N 3.43Å; Y422-Q426 HydrophobicContact CD2-CG 4.36Å; Y422-Q426 VanDerWaalsContact CE1-CD 3.45Å; Y422-Q426 HydrophobicContact CE1-CG 4.14Å; Y422-Q426 HydrophobicContact CE2-CG 3.95Å; Y422-Q426 WeakPolarHBondContact O-CG 3.21Å; Y422-Q426 PolarHBondContact O-N 3.23Å; Y422-Q426 PolarHBondContact OH-NE2 3.18Å
423	R	97.3	Very high	96.3	Very high	140 Å²	140	62.2 Å²	62.2	53%	0.528	30%	0.302	S	S	.	.	H	α-helix	trans	-62.9	-42.8	175.4	177.8	176.1	55.5	-128.4	-6	112.6	D419 C420 M421 Q426 K427	D419-R423 WeakPolarHBondContact O-CB 3.09Å; D419-R423 PolarHBondContact O-N 2.76Å; C420-R423 PolarHBondContact O-N 3.02Å; M421-R423 PolarHBondContact O-N 3.08Å; R423-Q426 PolarHBondContact O-N 2.8Å; R423-K427 WeakPolarHBondContact O-CB 3.33Å; R423-K427 PolarHBondContact O-N 3.39Å
424	V	97.1	Very high	96.2	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.012	29%	0.289	C	S	.	.	H	α-helix	trans	-62.3	-45.7	176	174.8	0	0	0	0	110.1	Y371 E374 C420 M421 K427 Y428	Y371-V424 HydrophobicContact CD1-CB 3.95Å; Y371-V424 HydrophobicContact CD1-CG1 3.81Å; Y371-V424 HydrophobicContact CD1-CG2 4.41Å; Y371-V424 HydrophobicContact CD2-CG1 4.49Å; Y371-V424 HydrophobicContact CE1-CB 3.75Å; Y371-V424 HydrophobicContact CE1-CG1 3.77Å; Y371-V424 HydrophobicContact CE2-CG1 4.42Å; Y371-V424 HydrophobicContact CG-CG1 4.18Å; E374-V424 HydrophobicContact CB-CG2 3.71Å; E374-V424 HydrophobicContact CG-CG2 4.34Å; E374-V424 WeakPolarHBondContact OE2-CG2 3.45Å; C420-V424 WeakPolarHBondContact O-CG2 3.08Å; C420-V424 PolarHBondContact O-N 2.59Å; M421-V424 PolarHBondContact O-N 3.16Å; V424-K427 PolarHBondContact O-N 3.04Å; V424-Y428 HydrophobicContact CG1-CD2 3.88Å; V424-Y428 HydrophobicContact CG1-CE2 4.26Å; V424-Y428 WeakPolarHBondContact O-CD2 3.4Å; V424-Y428 PolarHBondContact O-N 3.13Å
425	Y	96	Very high	96	Very high	69 Å²	69	62.1 Å²	62.1	27%	0.271	30%	0.301	S	S	.	.	H	α-helix	trans	-54.7	-55.2	173.8	170.1	-107.9	0	0	0	111.2	H156 Y371 M421 Y422 K427 Y428 N429	H156-Y425 HydrophobicContact CB-CE1 4Å; H156-Y425 AromaticContact CG-CE1 3.79Å; Y371-Y425 WeakPolarHBondContact OH-CB 3.34Å; M421-Y425 WeakPolarHBondContact O-CB 3.4Å; M421-Y425 PolarHBondContact O-N 2.7Å; Y422-Y425 HydrophobicContact CD2-CD1 4.14Å; Y422-Y425 HydrophobicContact CE2-CD1 4.09Å; Y422-Y425 WeakPolarHBondContact O-CB 3.34Å; Y422-Y425 PolarHBondContact O-N 3.43Å; Y425-K427 VanDerWaalsContact C-N 3.28Å; Y425-K427 PolarHBondContact O-N 2.99Å; Y425-Y428 PolarHBondContact O-N 3.25Å; Y425-N429 HydrophobicContact CE2-CB 4.4Å; Y425-N429 WeakPolarHBondContact O-CB 3.39Å; Y425-N429 PolarHBondContact O-N 3.24Å
426	Q	96.2	Very high	95.8	Very high	105 Å²	105	63.1 Å²	63.1	49%	0.491	31%	0.312	S	S	.	.	H	α-helix	trans	-58.1	-40.1	-179.3	-73.8	-178	-39	0	0	112.9	Y422 R423	Y422-Q426 HydrophobicContact CD2-CG 4.36Å; Y422-Q426 VanDerWaalsContact CE1-CD 3.45Å; Y422-Q426 HydrophobicContact CE1-CG 4.14Å; Y422-Q426 HydrophobicContact CE2-CG 3.95Å; Y422-Q426 WeakPolarHBondContact O-CG 3.21Å; Y422-Q426 PolarHBondContact O-N 3.23Å; Y422-Q426 PolarHBondContact OH-NE2 3.18Å; R423-Q426 PolarHBondContact O-N 2.8Å
427	K	95.5	Very high	95.7	Very high	87 Å²	87	60.8 Å²	60.8	38%	0.378	30%	0.3	S	S	.	.	H	α-helix	trans	-62.1	-50.7	178.2	179.6	-178.9	173.8	-169.7	0	111.2	E374 R423 V424 Y425 L433	E374-K427 IonicContact OE1-NZ 2.76Å; E374-K427 PolarHBondContact OE1-NZ 2.79Å; E374-K427 IonicContact OE2-NZ 3.45Å; R423-K427 WeakPolarHBondContact O-CB 3.33Å; R423-K427 PolarHBondContact O-N 3.39Å; V424-K427 PolarHBondContact O-N 3.04Å; Y425-K427 VanDerWaalsContact C-N 3.28Å; Y425-K427 PolarHBondContact O-N 2.99Å; K427-L433 HydrophobicContact CG-CD2 3.8Å; K427-L433 WeakPolarHBondContact O-CD2 3.43Å
428	Y	95.3	Very high	95.5	Very high	41 Å²	41	66.8 Å²	66.8	16%	0.161	33%	0.328	C	S	.	.	H	α-helix	trans	-91.7	-4.2	-173.9	-68.6	-69.9	0	0	0	114.8	L370 E374 V424 Y425 N430 Y434 L437	L370-Y428 HydrophobicContact CB-CD2 4.46Å; L370-Y428 HydrophobicContact CB-CE2 4.17Å; L370-Y428 HydrophobicContact CD1-CD1 3.96Å; L370-Y428 HydrophobicContact CD1-CD2 3.88Å; L370-Y428 HydrophobicContact CD1-CE1 3.96Å; L370-Y428 HydrophobicContact CD1-CE2 3.89Å; L370-Y428 HydrophobicContact CD1-CG 3.91Å; L370-Y428 HydrophobicContact CD2-CE1 4.42Å; L370-Y428 HydrophobicContact CD2-CE2 4.16Å; L370-Y428 HydrophobicContact CG-CE2 4.29Å; E374-Y428 WeakPolarHBondContact OE1-CE2 3.44Å; E374-Y428 PolarHBondContact OE1-OH 3.17Å; V424-Y428 HydrophobicContact CG1-CD2 3.88Å; V424-Y428 HydrophobicContact CG1-CE2 4.26Å; V424-Y428 WeakPolarHBondContact O-CD2 3.4Å; V424-Y428 PolarHBondContact O-N 3.13Å; Y425-Y428 PolarHBondContact O-N 3.25Å; Y428-N430 PolarHBondContact O-N 3.42Å; Y428-Y434 HydrophobicContact CD1-CD2 4.07Å; Y428-Y434 HydrophobicContact CG-CD2 4.46Å; Y428-L437 HydrophobicContact CD1-CD1 4.39Å; Y428-L437 HydrophobicContact CE1-CD1 3.86Å
429	N	93.4	Very high	95.2	Very high	96 Å²	96	71.5 Å²	71.5	51%	0.513	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-13.4	168	-168.1	58.6	0	0	0	112.4	Y425 D431	Y425-N429 HydrophobicContact CE2-CB 4.4Å; Y425-N429 WeakPolarHBondContact O-CB 3.39Å; Y425-N429 PolarHBondContact O-N 3.24Å; N429-D431 PolarHBondContact O-N 3.4Å
430	N	93.9	Very high	95.1	Very high	85 Å²	85	68.4 Å²	68.4	46%	0.455	33%	0.334	S	S	.	.	S	Bend	trans	-82.1	104	168.7	-177.2	-13.3	0	0	0	110.2	Y428 N432 L433 Y434	Y428-N430 PolarHBondContact O-N 3.42Å; N430-N432 PolarHBondContact O-N 3.33Å; N430-N432 VanDerWaalsContact O-N 3.13Å; N430-N432 WeakPolarHBondContact OD1-CB 3.45Å; N430-N432 PolarHBondContact OD1-N 3.46Å; N430-N432 VanDerWaalsContact OD1-N 3.14Å; N430-L433 HydrophobicContact CB-CB 4.27Å; N430-L433 PolarHBondContact O-N 3.36Å; N430-Y434 PolarHBondContact O-N 3.08Å
431	D	91.4	Very high	94.8	Very high	121 Å²	121	73.6 Å²	73.6	65%	0.647	36%	0.356	S	S	*	.	H	α-helix	trans	-50.2	-39.2	-179.4	-64.4	-21.6	0	0	0	113.2	N429 L433 Y434 M435	N429-D431 PolarHBondContact O-N 3.4Å; D431-L433 VanDerWaalsContact C-N 3.33Å; D431-L433 PolarHBondContact O-N 3.46Å; D431-Y434 PolarHBondContact O-N 3.07Å; D431-M435 WeakPolarHBondContact O-CB 3.44Å; D431-M435 VanDerWaalsContact O-CG 3.3Å; D431-M435 WeakPolarHBondContact O-CG 3.45Å; D431-M435 PolarHBondContact O-N 2.79Å
432	N	94	Very high	94.5	Very high	137 Å²	137	78.4 Å²	78.4	73%	0.733	38%	0.378	S	S	*	.	H	α-helix	trans	-64.6	-38.7	179.9	-66.9	-44.5	0	0	0	112.2	N430 S436	N430-N432 PolarHBondContact O-N 3.33Å; N430-N432 VanDerWaalsContact O-N 3.13Å; N430-N432 WeakPolarHBondContact OD1-CB 3.45Å; N430-N432 PolarHBondContact OD1-N 3.46Å; N430-N432 VanDerWaalsContact OD1-N 3.14Å; N432-S436 WeakPolarHBondContact O-CB 3.24Å; N432-S436 PolarHBondContact O-N 3.06Å; N432-S436 VanDerWaalsContact O-N 3.15Å
433	L	93.9	Very high	94.3	Very high	69 Å²	69	76.5 Å²	76.5	36%	0.361	37%	0.371	S	S	.	.	H	α-helix	trans	-74.1	-44.4	178	-178.2	62.8	0	0	0	110.4	K427 N430 D431 S436	K427-L433 HydrophobicContact CG-CD2 3.8Å; K427-L433 WeakPolarHBondContact O-CD2 3.43Å; N430-L433 HydrophobicContact CB-CB 4.27Å; N430-L433 PolarHBondContact O-N 3.36Å; D431-L433 VanDerWaalsContact C-N 3.33Å; D431-L433 PolarHBondContact O-N 3.46Å; L433-S436 WeakPolarHBondContact O-CB 3.43Å; L433-S436 PolarHBondContact O-N 3.11Å; L433-S436 VanDerWaalsContact O-N 3.16Å; L433-S436 PolarHBondContact O-OG 3.31Å
434	Y	95.5	Very high	93.9	Very high	24 Å²	24	72.5 Å²	72.5	9%	0.094	36%	0.36	C	S	.	.	H	α-helix	trans	-61.7	-48.5	178.1	179.5	-102.6	0	0	0	111.6	H363 L366 L370 Y428 N430 D431 S436 L437 A440	H363-Y434 AromaticContact ND1-CE1 3.43Å; H363-Y434 WeakPolarHBondContact ND1-CE1 3.4Å; H363-Y434 AromaticContact ND1-CZ 3.64Å; H363-Y434 PolarHBondContact ND1-OH 3.03Å; H363-Y434 PolarHBondContact O-OH 3.35Å; L366-Y434 HydrophobicContact CD2-CE2 4.11Å; L366-Y434 HydrophobicContact CG-CE2 4.37Å; L370-Y434 HydrophobicContact CD1-CD2 4.22Å; L370-Y434 HydrophobicContact CD1-CE2 4.05Å; Y428-Y434 HydrophobicContact CD1-CD2 4.07Å; Y428-Y434 HydrophobicContact CG-CD2 4.46Å; N430-Y434 PolarHBondContact O-N 3.08Å; D431-Y434 PolarHBondContact O-N 3.07Å; Y434-S436 PolarHBondContact O-N 3.32Å; Y434-L437 HydrophobicContact CD2-CD1 4.36Å; Y434-L437 VanDerWaalsContact O-CB 3.29Å; Y434-L437 WeakPolarHBondContact O-CB 3.42Å; Y434-L437 VanDerWaalsContact O-CG 3.32Å; Y434-L437 WeakPolarHBondContact O-CG 3.4Å; Y434-L437 PolarHBondContact O-N 2.68Å; Y434-L437 VanDerWaalsContact O-N 3.08Å; Y434-A440 HydrophobicContact CD1-CB 4.08Å; Y434-A440 HydrophobicContact CE1-CB 3.8Å; Y434-A440 VanDerWaalsContact O-CB 3.3Å; Y434-A440 WeakPolarHBondContact O-CB 3.5Å
435	M	93.9	Very high	93.3	Very high	52 Å²	52	76.3 Å²	76.3	26%	0.256	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-6.4	176.8	-65.9	-51.2	-56.8	0	0	113.9	D431 A440 K441 D444	D431-M435 WeakPolarHBondContact O-CB 3.44Å; D431-M435 VanDerWaalsContact O-CG 3.3Å; D431-M435 WeakPolarHBondContact O-CG 3.45Å; D431-M435 PolarHBondContact O-N 2.79Å; M435-A440 HydrophobicContact CE-CB 4.42Å; M435-A440 HydrophobicContact SD-CB 3.99Å; M435-K441 HydrophobicContact CE-CG 4.15Å; M435-K441 WeakPolarHBondContact O-CE 3.46Å; M435-K441 WeakPolarHBondContact O-CG 3.46Å; M435-D444 WeakPolarHBondContact CE-OD2 3.3Å
436	S	94.4	Very high	92.8	Very high	68 Å²	68	75 Å²	75	48%	0.476	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-22.1	168.5	79.4	0	0	0	0	112.6	N432 L433 Y434	N432-S436 WeakPolarHBondContact O-CB 3.24Å; N432-S436 PolarHBondContact O-N 3.06Å; N432-S436 VanDerWaalsContact O-N 3.15Å; L433-S436 WeakPolarHBondContact O-CB 3.43Å; L433-S436 PolarHBondContact O-N 3.11Å; L433-S436 VanDerWaalsContact O-N 3.16Å; L433-S436 PolarHBondContact O-OG 3.31Å; Y434-S436 PolarHBondContact O-N 3.32Å
437	L	94.6	Very high	92.1	Very high	39 Å²	39	71.7 Å²	71.7	20%	0.204	37%	0.372	C	S	.	.	S	Bend	trans	-68.9	134.2	177	-57.5	174.3	0	0	0	110.4	L370 Y428 Y434 E439 A440 K441	L370-L437 HydrophobicContact CD1-CD1 4.04Å; L370-L437 HydrophobicContact CD2-CD1 4.16Å; Y428-L437 HydrophobicContact CD1-CD1 4.39Å; Y428-L437 HydrophobicContact CE1-CD1 3.86Å; Y434-L437 HydrophobicContact CD2-CD1 4.36Å; Y434-L437 VanDerWaalsContact O-CB 3.29Å; Y434-L437 WeakPolarHBondContact O-CB 3.42Å; Y434-L437 VanDerWaalsContact O-CG 3.32Å; Y434-L437 WeakPolarHBondContact O-CG 3.4Å; Y434-L437 PolarHBondContact O-N 2.68Å; Y434-L437 VanDerWaalsContact O-N 3.08Å; L437-E439 PolarHBondContact O-N 2.9Å; L437-A440 HydrophobicContact CB-CB 4.05Å; L437-A440 PolarHBondContact O-N 2.76Å; L437-K441 PolarHBondContact O-N 3.06Å
438	M	93.9	Very high	91.3	Very high	147 Å²	147	73.1 Å²	73.1	72%	0.724	38%	0.384	S	S	*	.	H	α-helix	trans	-62.4	-37.3	179.5	179.8	174.7	170	0	0	111.2	K441 Q442	M438-K441 PolarHBondContact O-N 3.37Å; M438-Q442 PolarHBondContact O-N 2.03Å
439	E	92.5	Very high	90.9	Very high	101 Å²	101	73.7 Å²	73.7	47%	0.472	39%	0.389	S	S	.	.	H	α-helix	trans	-65.1	-38.8	178.7	-59.3	82.8	173.8	0	0	111.7	L366 L437 Q442 C443	L366-E439 HydrophobicContact CD1-CB 3.76Å; L366-E439 HydrophobicContact CD1-CG 4.42Å; L366-E439 HydrophobicContact CD2-CB 3.89Å; L366-E439 HydrophobicContact CG-CB 4.48Å; L437-E439 PolarHBondContact O-N 2.9Å; E439-Q442 PolarHBondContact O-N 2.81Å; E439-C443 PolarHBondContact O-N 2.84Å; E439-C443 VanDerWaalsContact O-N 3.12Å; E439-C443 PolarHBondContact O-SG 2.95Å
440	A	94.4	Very high	90.6	Very high	0 Å²	0	72.1 Å²	72.1	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-66.9	-44.5	177.6	0	0	0	0	0	111	H363 L366 Y434 M435 L437 Q442 C443 D444	H363-A440 PolarHBondContact CE1-O 2.61Å; L366-A440 HydrophobicContact CD2-CB 3.7Å; Y434-A440 HydrophobicContact CD1-CB 4.08Å; Y434-A440 HydrophobicContact CE1-CB 3.8Å; Y434-A440 VanDerWaalsContact O-CB 3.3Å; Y434-A440 WeakPolarHBondContact O-CB 3.5Å; M435-A440 HydrophobicContact CE-CB 4.42Å; M435-A440 HydrophobicContact SD-CB 3.99Å; L437-A440 HydrophobicContact CB-CB 4.05Å; L437-A440 PolarHBondContact O-N 2.76Å; A440-Q442 PolarHBondContact O-N 2.92Å; A440-C443 WeakPolarHBondContact O-CB 3.44Å; A440-C443 PolarHBondContact O-N 2.81Å; A440-D444 PolarHBondContact O-N 2.73Å
441	K	92.2	Very high	90.4	Very high	120 Å²	120	70 Å²	70	52%	0.522	37%	0.37	S	S	.	.	H	α-helix	trans	-60.5	-35.4	174	-65.1	-178.4	-174.2	-177.8	0	112.3	M435 L437 M438 C443 D444	M435-K441 HydrophobicContact CE-CG 4.15Å; M435-K441 WeakPolarHBondContact O-CE 3.46Å; M435-K441 WeakPolarHBondContact O-CG 3.46Å; L437-K441 PolarHBondContact O-N 3.06Å; M438-K441 PolarHBondContact O-N 3.37Å; K441-C443 VanDerWaalsContact C-N 3.31Å; K441-D444 PolarHBondContact O-N 2.85Å
442	Q	91	Very high	90.4	Very high	100 Å²	100	64.5 Å²	64.5	47%	0.467	34%	0.341	S	S	.	.	H	α-helix	trans	-67.6	-32.9	176.1	-174.8	178	-16.4	0	0	112	M438 E439 A440 V445 Y446	M438-Q442 PolarHBondContact O-N 2.03Å; E439-Q442 PolarHBondContact O-N 2.81Å; A440-Q442 PolarHBondContact O-N 2.92Å; Q442-V445 PolarHBondContact O-N 2.89Å; Q442-Y446 HydrophobicContact CG-CE2 4.16Å; Q442-Y446 VanDerWaalsContact O-CD2 3.26Å; Q442-Y446 WeakPolarHBondContact O-CD2 3.35Å; Q442-Y446 WeakPolarHBondContact O-CE2 3.27Å
443	C	93.2	Very high	90.3	Very high	3 Å²	3	60.6 Å²	60.6	2%	0.02	32%	0.321	C	S	.	.	H	α-helix	trans	-63.6	-40.5	175.6	-69.1	0	0	0	0	112.4	N359 C362 H363 E439 A440 K441 V445 Y446	N359-C443 VanDerWaalsContact CB-O 3.24Å; N359-C443 WeakPolarHBondContact CB-O 3.32Å; C362-C443 HydrophobicContact CB-CB 3.67Å; C362-C443 WeakPolarHBondContact CB-SG 3.35Å; C362-C443 WeakPolarHBondContact SG-CA 3.45Å; C362-C443 WeakPolarHBondContact SG-CB 3.38Å; C362-C443 CovalentContact SG-SG 2.05Å; C362-C443 PolarHBondContact SG-SG 3.4Å; H363-C443 VanDerWaalsContact CE1-CB 3.4Å; H363-C443 WeakPolarHBondContact CE1-CB 3.41Å; H363-C443 VanDerWaalsContact NE2-CB 3.33Å; H363-C443 WeakPolarHBondContact NE2-CB 3.5Å; E439-C443 PolarHBondContact O-N 2.84Å; E439-C443 VanDerWaalsContact O-N 3.12Å; E439-C443 PolarHBondContact O-SG 2.95Å; A440-C443 WeakPolarHBondContact O-CB 3.44Å; A440-C443 PolarHBondContact O-N 2.81Å; K441-C443 VanDerWaalsContact C-N 3.31Å; C443-V445 VanDerWaalsContact C-N 3.29Å; C443-V445 PolarHBondContact O-N 3.45Å; C443-Y446 WeakPolarHBondContact O-CB 3.29Å; C443-Y446 PolarHBondContact O-N 3.39Å; C443-Y446 VanDerWaalsContact O-N 3.07Å
444	D	88.9	Confident	90.2	Very high	56 Å²	56	59.2 Å²	59.2	30%	0.299	31%	0.313	S	S	.	.	H	α-helix	trans	-61.3	-35.4	177.7	-80.4	-9	0	0	0	112.9	H363 M435 A440 K441 Y446 G447 D448	H363-D444 IonicContact CE1-OD1 3.24Å; H363-D444 IonicContact NE2-OD1 2.8Å; H363-D444 PolarHBondContact NE2-OD1 3.37Å; H363-D444 VanDerWaalsContact NE2-OD1 3.11Å; M435-D444 WeakPolarHBondContact CE-OD2 3.3Å; A440-D444 PolarHBondContact O-N 2.73Å; K441-D444 PolarHBondContact O-N 2.85Å; D444-Y446 PolarHBondContact O-N 2.85Å; D444-Y446 VanDerWaalsContact O-N 3.08Å; D444-G447 WeakPolarHBondContact O-CA 3.47Å; D444-G447 PolarHBondContact O-N 3.15Å; D444-D448 VanDerWaalsContact O-CG 3.29Å; D444-D448 PolarHBondContact O-N 3.14Å
445	V	85.6	Confident	90.1	Very high	83 Å²	83	59.5 Å²	59.5	50%	0.503	32%	0.317	S	S	.	.	H	α-helix	trans	-58.1	-27.5	176.4	178.1	0	0	0	0	112	N336 Q442 C443 G447	N336-V445 PolarHBondContact ND2-O 2.93Å; Q442-V445 PolarHBondContact O-N 2.89Å; C443-V445 VanDerWaalsContact C-N 3.29Å; C443-V445 PolarHBondContact O-N 3.45Å; V445-G447 VanDerWaalsContact C-N 3.33Å
446	Y	85.2	Confident	90	Very high	41 Å²	41	60.8 Å²	60.8	16%	0.161	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-13.5	174.8	-61.3	-69.7	0	0	0	113.6	K338 F340 Q442 C443 D444	K338-Y446 HydrophobicContact CB-CE1 4.09Å; K338-Y446 WeakPolarHBondContact O-CD1 3.45Å; F340-Y446 HydrophobicContact CB-CD1 3.99Å; F340-Y446 HydrophobicContact CB-CD2 4.09Å; F340-Y446 HydrophobicContact CB-CE1 4.23Å; F340-Y446 HydrophobicContact CB-CE2 4.34Å; F340-Y446 HydrophobicContact CB-CG 3.93Å; F340-Y446 HydrophobicContact CD2-CD2 4.09Å; F340-Y446 AromaticContact CD2-CE2 3.81Å; F340-Y446 HydrophobicContact CD2-CE2 3.81Å; F340-Y446 HydrophobicContact CG-CD2 4.43Å; Q442-Y446 HydrophobicContact CG-CE2 4.16Å; Q442-Y446 VanDerWaalsContact O-CD2 3.26Å; Q442-Y446 WeakPolarHBondContact O-CD2 3.35Å; Q442-Y446 WeakPolarHBondContact O-CE2 3.27Å; C443-Y446 WeakPolarHBondContact O-CB 3.29Å; C443-Y446 PolarHBondContact O-N 3.39Å; C443-Y446 VanDerWaalsContact O-N 3.07Å; D444-Y446 PolarHBondContact O-N 2.85Å; D444-Y446 VanDerWaalsContact O-N 3.08Å
447	G	82.1	Confident	89.9	Confident	36 Å²	36	59 Å²	59	37%	0.371	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-26	-179	0	0	0	0	0	114.6	D444 V445 L449	D444-G447 WeakPolarHBondContact O-CA 3.47Å; D444-G447 PolarHBondContact O-N 3.15Å; V445-G447 VanDerWaalsContact C-N 3.33Å; G447-L449 VanDerWaalsContact C-N 3.31Å; G447-L449 PolarHBondContact O-N 3.03Å
448	D	79.3	Confident	89.6	Confident	117 Å²	117	61.2 Å²	61.2	63%	0.626	31%	0.311	S	S	*	.	S	Bend	trans	-66.2	-28.3	-171.9	-70.2	-26.4	0	0	0	114.5	D444	D444-D448 VanDerWaalsContact O-CG 3.29Å; D444-D448 PolarHBondContact O-N 3.14Å
449	L	85.4	Confident	89.2	Confident	52 Å²	52	58.9 Å²	58.9	27%	0.272	30%	0.298	S	S	.	.	S	Bend	trans	-135.7	140.2	-172.2	-65.7	170.8	0	0	0	111.3	S333 N336 G447	S333-L449 WeakPolarHBondContact O-CD1 3.46Å; S333-L449 WeakPolarHBondContact OG-CD1 3.27Å; N336-L449 HydrophobicContact CB-CB 4.26Å; G447-L449 VanDerWaalsContact C-N 3.31Å; G447-L449 PolarHBondContact O-N 3.03Å
450	P	87.4	Confident	88.5	Confident	63 Å²	63	58.4 Å²	58.4	41%	0.409	30%	0.299	S	S	.	.			trans	-66	157.6	174.5	30.1	-35.8	0	0	0	111.2	C335 N336	C335-P450 CarbonylContact C-O 3.52Å; C335-P450 WeakPolarHBondContact CA-O 3.26Å; C335-P450 WeakPolarHBondContact CB-O 3.42Å; N336-P450 PolarHBondContact N-O 3.37Å
451	Y	90.1	Very high	87.7	Confident	40 Å²	40	60.1 Å²	60.1	16%	0.157	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-68.9	142.4	177.1	-63.8	-60.7	0	0	0	112.4	R313 N336 K338 K339	R313-Y451 PolarHBondContact NH1-O 2.84Å; N336-Y451 HydrophobicContact CB-CD1 4.5Å; N336-Y451 CarbonylContact O-C 3.49Å; N336-Y451 VanDerWaalsContact O-CA 3.25Å; N336-Y451 WeakPolarHBondContact O-CA 3.34Å; K338-Y451 WeakPolarHBondContact O-CE1 3.37Å; K339-Y451 HydrophobicContact CB-CE1 4.42Å; K339-Y451 HydrophobicContact CG-CD1 4.19Å; K339-Y451 HydrophobicContact CG-CE1 3.92Å
452	C	91	Very high	87.3	Confident	6 Å²	6	57.2 Å²	57.2	4%	0.041	31%	0.306	C	S	.	.	S	Bend	trans	-69.1	-34.3	178.7	-62.2	0	0	0	0	112.9	K312 R313 C335 N336 D337	K312-C452 CarbonylContact C-O 3.57Å; K312-C452 WeakPolarHBondContact CA-O 3.29Å; R313-C452 PolarHBondContact N-O 2.86Å; C335-C452 HydrophobicContact CB-CB 3.93Å; C335-C452 WeakPolarHBondContact CB-SG 3.05Å; C335-C452 PolarHBondContact O-SG 3.15Å; C335-C452 WeakPolarHBondContact SG-CA 3.24Å; C335-C452 WeakPolarHBondContact SG-CB 3.4Å; C335-C452 CovalentContact SG-SG 2.03Å; C335-C452 PolarHBondContact SG-SG 3.07Å; N336-C452 PolarHBondContact O-N 3.08Å; D337-C452 VanDerWaalsContact OD1-CB 3.29Å; D337-C452 WeakPolarHBondContact OD1-CB 3.44Å; D337-C452 PolarHBondContact OD1-SG 2.88Å; D337-C452 VanDerWaalsContact OD1-SG 3.37Å
453	D	92.3	Very high	87.3	Confident	56 Å²	56	56.9 Å²	56.9	30%	0.299	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	106.7	176.4	-167.1	-15.1	0	0	0	108.1	R310 I311 K312	R310-D453 IonicContact CZ-OD1 2.61Å; R310-D453 IonicContact CZ-OD2 3.56Å; R310-D453 IonicContact NE-OD1 3.06Å; R310-D453 PolarHBondContact NE-OD1 2.92Å; R310-D453 IonicContact NE-OD2 2.68Å; R310-D453 IonicContact NH2-OD1 2.61Å; R310-D453 PolarHBondContact NH2-OD1 2.97Å; R310-D453 IonicContact NH2-OD2 3.11Å; R310-D453 PolarHBondContact NH2-OD2 3.33Å; I311-D453 WeakPolarHBondContact O-CA 3.03Å; K312-D453 WeakPolarHBondContact CE-OD2 3.4Å
454	D	92.2	Very high	87.2	Confident	39 Å²	39	62.1 Å²	62.1	21%	0.209	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	146.7	-172.2	-155.8	12.3	0	0	0	112	R310 I311	R310-D454 CarbonylContact C-O 3.53Å; R310-D454 VanDerWaalsContact CA-O 3.27Å; R310-D454 WeakPolarHBondContact CA-O 3.25Å; I311-D454 PolarHBondContact N-O 2.77Å; I311-D454 PolarHBondContact O-N 2.97Å
455	I	92.6	Very high	87.3	Confident	31 Å²	31	63 Å²	63	16%	0.159	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	130.3	178.4	-56.8	174.1	0	0	0	107.4	L284 M308 L309 R310	L284-I455 HydrophobicContact CD1-CB 4.3Å; L284-I455 VanDerWaalsContact CD1-O 3.27Å; L284-I455 WeakPolarHBondContact CD1-O 3.11Å; L284-I455 HydrophobicContact CD2-CB 3.89Å; L284-I455 HydrophobicContact CD2-CG2 3.73Å; M308-I455 HydrophobicContact CE-CD1 4.24Å; M308-I455 HydrophobicContact CE-CG2 3.74Å; M308-I455 HydrophobicContact CG-CG2 4.12Å; L309-I455 WeakPolarHBondContact O-CA 3.2Å; R310-I455 HydrophobicContact CB-CG1 4.3Å; R310-I455 HydrophobicContact CG-CG1 4.03Å
456	Y	91.6	Very high	87.3	Confident	79 Å²	79	62.1 Å²	62.1	31%	0.31	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	158.1	175	64.8	-76.6	0	0	0	110.7	L309 I311	L309-Y456 HydrophobicContact CB-CD1 4.25Å; L309-Y456 HydrophobicContact CB-CE1 3.66Å; L309-Y456 HydrophobicContact CB-CE2 4.03Å; L309-Y456 HydrophobicContact CD1-CE1 4.48Å; L309-Y456 HydrophobicContact CD1-CE2 3.61Å; L309-Y456 WeakPolarHBondContact CD1-OH 3.37Å; L309-Y456 HydrophobicContact CG-CE2 4.33Å; L309-Y456 PolarHBondContact N-O 3.29Å; L309-Y456 PolarHBondContact O-N 3.18Å; I311-Y456 HydrophobicContact CD1-CD1 4.24Å; I311-Y456 HydrophobicContact CD1-CE1 3.25Å; I311-Y456 HydrophobicContact CG1-CE1 3.67Å
457	Y	92.9	Very high	87.3	Confident	29 Å²	29	61.2 Å²	61.2	11%	0.114	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	116.4	177.6	-61	-82.6	0	0	0	109.1	F110 Q111 P113 I282 L284 E307 M308	F110-Y457 HydrophobicContact CE2-CD1 4.34Å; F110-Y457 HydrophobicContact CE2-CE1 4.15Å; F110-Y457 HydrophobicContact CZ-CD1 4.37Å; F110-Y457 HydrophobicContact CZ-CE1 4.05Å; Q111-Y457 VanDerWaalsContact O-CE1 3.25Å; Q111-Y457 WeakPolarHBondContact O-CE1 3.17Å; Q111-Y457 PolarHBondContact O-OH 3.27Å; P113-Y457 HydrophobicContact CB-CD2 3.9Å; P113-Y457 HydrophobicContact CB-CE1 4.22Å; P113-Y457 HydrophobicContact CB-CE2 3.52Å; P113-Y457 HydrophobicContact CB-CG 4.39Å; P113-Y457 HydrophobicContact CG-CD1 4.37Å; P113-Y457 HydrophobicContact CG-CD2 4.49Å; P113-Y457 HydrophobicContact CG-CE1 4.16Å; P113-Y457 HydrophobicContact CG-CE2 4.31Å; I282-Y457 HydrophobicContact CG2-CD2 4.48Å; I282-Y457 HydrophobicContact CG2-CG 4.47Å; L284-Y457 HydrophobicContact CD2-CE2 3.7Å; L284-Y457 HydrophobicContact CG-CE2 4.3Å; E307-Y457 WeakPolarHBondContact O-CA 3.43Å; M308-Y457 HydrophobicContact CB-CD1 4.27Å; M308-Y457 HydrophobicContact CB-CE1 4.14Å; M308-Y457 HydrophobicContact CG-CE1 4.24Å
458	Q	88.8	Confident	87.4	Confident	86 Å²	86	64 Å²	64	40%	0.402	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	125.2	169.7	-175.8	170.4	-9.8	0	0	108.8	E307 L309	E307-Q458 PolarHBondContact N-O 3.25Å; E307-Q458 PolarHBondContact O-N 2.97Å; L309-Q458 HydrophobicContact CD1-CB 4Å
459	H	83.7	Confident	87.5	Confident	98 Å²	98	59.5 Å²	59.5	45%	0.454	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	129.8	170.6	61.4	-85.3	0	0	0	109.3	I304 K305 L306 G461	I304-H459 HydrophobicContact CG2-CB 4.09Å; K305-H459 WeakPolarHBondContact O-CA 3.31Å; L306-H459 HydrophobicContact CD2-CB 4.17Å; H459-G461 PolarHBondContact O-N 2.69Å
460	L	78.7	Confident	87.3	Confident	91 Å²	91	57.4 Å²	57.4	48%	0.476	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	32.2	179.1	-61.7	174.6	0	0	0	112.6	K305 N549	K305-L460 HydrophobicContact CB-CB 4.38Å; K305-L460 HydrophobicContact CB-CD1 4.29Å; K305-L460 PolarHBondContact O-N 3.07Å; L460-N549 HydrophobicContact CD1-CB 4.36Å
461	G	77	Confident	87	Confident	37 Å²	37	59.1 Å²	59.1	38%	0.381	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	89	163.7	-168.9	0	0	0	0	0	113.8	H459	H459-G461 PolarHBondContact O-N 2.69Å
462	I	85	Confident	86.3	Confident	59 Å²	59	59.6 Å²	59.6	30%	0.303	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	116.9	174.9	-59.4	141.8	0	0	0	107.7	I294 I304 R464	I294-I462 HydrophobicContact CB-CD1 4.16Å; I294-I462 HydrophobicContact CD1-CD1 3.97Å; I294-I462 HydrophobicContact CD1-CG1 4.25Å; I294-I462 HydrophobicContact CG1-CD1 3.88Å; I294-I462 HydrophobicContact CG2-CD1 3.35Å; I294-I462 HydrophobicContact CG2-CG1 4.01Å; I304-I462 HydrophobicContact CD1-CG1 4.2Å; I304-I462 HydrophobicContact CG1-CG1 4.03Å; I304-I462 HydrophobicContact CG1-CG2 4.3Å; I462-R464 HydrophobicContact CG2-CG 4.18Å
463	N	90.3	Very high	85.4	Confident	93 Å²	93	66.5 Å²	66.5	50%	0.497	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	114.5	171.7	-173	11.4	0	0	0	109.4	H303	H303-N463 HydrophobicContact CB-CB 4.41Å; H303-N463 PolarHBondContact N-O 3.25Å; H303-N463 PolarHBondContact O-N 2.94Å
464	R	92.1	Very high	84.3	Confident	112 Å²	112	69.4 Å²	69.4	42%	0.423	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	106.9	175.3	-67.8	-178.4	177.2	161.3	-2.8	109	E295 Y300 I462	E295-R464 PolarHBondContact O-NH2 2.88Å; Y300-R464 HydrophobicContact CD1-CB 4.49Å; I462-R464 HydrophobicContact CG2-CG 4.18Å
465	I	89.5	Confident	83.3	Confident	74 Å²	74	71.7 Å²	71.7	38%	0.379	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	125.4	178.2	-55.7	166.1	0	0	0	108.2	Y300 I301	Y300-I465 WeakPolarHBondContact CA-O 3.41Å; I301-I465 HydrophobicContact CB-CB 4.22Å; I301-I465 PolarHBondContact N-O 3.25Å; I301-I465 PolarHBondContact O-N 3.5Å
466	I	87.1	Confident	82.5	Confident	66 Å²	66	74.6 Å²	74.6	34%	0.338	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	134.9	177.2	-171	170.8	0	0	0	110.6	Y300 N468 W471	Y300-I466 HydrophobicContact CD1-CB 4.19Å; Y300-I466 HydrophobicContact CE1-CB 3.98Å; Y300-I466 HydrophobicContact CE1-CG1 4.13Å; I466-N468 VanDerWaalsContact C-N 3.34Å; I466-N468 VanDerWaalsContact CG2-OD1 3.25Å; I466-N468 WeakPolarHBondContact CG2-OD1 3.22Å; I466-N468 PolarHBondContact O-N 3.08Å; I466-W471 HydrophobicContact CD1-CB 3.7Å; I466-W471 HydrophobicContact CD1-CD2 3.95Å; I466-W471 HydrophobicContact CD1-CG 3.47Å; I466-W471 VanDerWaalsContact CD1-CG 3.47Å; I466-W471 HydrophobicContact CG1-CB 4.17Å; I466-W471 HydrophobicContact CG1-CD2 4.25Å; I466-W471 HydrophobicContact CG1-CG 3.63Å
467	M	85.3	Confident	81.8	Confident	21 Å²	21	76.5 Å²	76.5	10%	0.103	39%	0.389	C	S	.	.			trans	-78.6	83.9	169.4	-66.5	178.1	167	0	0	109.2	G299 I301 E469 L470 W471 F541 L543	G299-M467 WeakPolarHBondContact O-CB 3.37Å; G299-M467 PolarHBondContact O-N 2.85Å; I301-M467 HydrophobicContact CD1-CE 4.42Å; I301-M467 HydrophobicContact CD1-CG 4.31Å; I301-M467 HydrophobicContact CG1-CE 3.68Å; I301-M467 HydrophobicContact CG1-CG 3.81Å; M467-E469 PolarHBondContact O-N 3.05Å; M467-L470 HydrophobicContact CB-CB 4.33Å; M467-L470 HydrophobicContact CB-CD1 3.8Å; M467-L470 HydrophobicContact CB-CG 3.9Å; M467-L470 HydrophobicContact CG-CD1 4.31Å; M467-L470 WeakPolarHBondContact O-CB 3.45Å; M467-L470 PolarHBondContact O-N 3.05Å; M467-L470 HydrophobicContact SD-CD1 3.46Å; M467-L470 WeakPolarHBondContact SD-CD1 3.4Å; M467-L470 HydrophobicContact SD-CG 4.42Å; M467-W471 VanDerWaalsContact O-CD1 3.3Å; M467-F541 HydrophobicContact CE-CD1 3.94Å; M467-F541 HydrophobicContact CE-CE1 3.71Å; M467-F541 HydrophobicContact SD-CD1 4.24Å; M467-L543 HydrophobicContact CE-CB 3.99Å; M467-L543 HydrophobicContact CE-CD1 3.54Å; M467-L543 HydrophobicContact CE-CG 3.49Å; M467-L543 VanDerWaalsContact CE-CG 3.49Å
468	N	83.1	Confident	80.9	Confident	94 Å²	94	78.3 Å²	78.3	50%	0.503	41%	0.41	S	S	.	.	H	α-helix	trans	-44.7	-36.6	-170.8	-76	-29.1	0	0	0	115	I466 L470 W471 S472	I466-N468 VanDerWaalsContact C-N 3.34Å; I466-N468 VanDerWaalsContact CG2-OD1 3.25Å; I466-N468 WeakPolarHBondContact CG2-OD1 3.22Å; I466-N468 PolarHBondContact O-N 3.08Å; N468-L470 PolarHBondContact O-N 2.83Å; N468-W471 PolarHBondContact O-N 2.87Å; N468-W471 VanDerWaalsContact O-N 3.17Å; N468-S472 VanDerWaalsContact O-CB 3.28Å; N468-S472 WeakPolarHBondContact O-CB 3.48Å; N468-S472 PolarHBondContact O-N 3.1Å
469	E	80.6	Confident	80.2	Confident	23 Å²	23	78 Å²	78	11%	0.107	41%	0.405	C	S	.	.	H	α-helix	trans	-60.3	-28.7	178.3	-67.7	66.2	-128	0	0	113.6	M467 R479 I480 L483	M467-E469 PolarHBondContact O-N 3.05Å; E469-R479 VanDerWaalsContact CD-NE 3.26Å; E469-R479 HydrophobicContact CG-CB 4Å; E469-R479 IonicContact OE1-CZ 3.59Å; E469-R479 IonicContact OE1-NE 2.99Å; E469-R479 PolarHBondContact OE1-NE 2.88Å; E469-R479 IonicContact OE1-NH1 2.9Å; E469-R479 PolarHBondContact OE1-NH1 2.96Å; E469-R479 IonicContact OE1-NH2 2.83Å; E469-R479 PolarHBondContact OE1-NH2 3.41Å; E469-R479 IonicContact OE2-CZ 3.46Å; E469-R479 IonicContact OE2-NE 2.74Å; E469-R479 IonicContact OE2-NH2 3.23Å; E469-R479 PolarHBondContact OE2-NH2 2.92Å; E469-I480 HydrophobicContact CB-CD1 3.87Å; E469-I480 HydrophobicContact CG-CD1 4.15Å; E469-L483 HydrophobicContact CB-CD1 3.61Å; E469-L483 HydrophobicContact CG-CD1 3.91Å
470	L	82.3	Confident	79.8	Confident	9 Å²	9	73.5 Å²	73.5	5%	0.047	38%	0.384	C	S	.	.	H	α-helix	trans	-86.6	-15.5	-178.3	-56.3	-172.9	0	0	0	112.7	M467 N468 L483 L534 L537 R538	M467-L470 HydrophobicContact CB-CB 4.33Å; M467-L470 HydrophobicContact CB-CD1 3.8Å; M467-L470 HydrophobicContact CB-CG 3.9Å; M467-L470 HydrophobicContact CG-CD1 4.31Å; M467-L470 WeakPolarHBondContact O-CB 3.45Å; M467-L470 PolarHBondContact O-N 3.05Å; M467-L470 HydrophobicContact SD-CD1 3.46Å; M467-L470 WeakPolarHBondContact SD-CD1 3.4Å; M467-L470 HydrophobicContact SD-CG 4.42Å; N468-L470 PolarHBondContact O-N 2.83Å; L470-L483 HydrophobicContact CD2-CD1 4.49Å; L470-L534 HydrophobicContact CD2-CD2 3.88Å; L470-L537 HydrophobicContact CD1-CB 4.28Å; L470-L537 HydrophobicContact CD2-CB 3.63Å; L470-L537 HydrophobicContact CD2-CD1 3.76Å; L470-L537 HydrophobicContact CD2-CG 4.36Å; L470-R538 HydrophobicContact CB-CB 4.04Å; L470-R538 HydrophobicContact CB-CG 4.29Å; L470-R538 WeakPolarHBondContact O-CD 3.4Å
471	W	80.2	Confident	79.7	Confident	98 Å²	98	72 Å²	72	37%	0.371	38%	0.381	S	S	.	.	H	α-helix	trans	-117	-22.2	-172.5	-63.6	90.9	0	0	0	113.7	G299 Y300 I466 M467 N468 R538	G299-W471 PolarHBondContact O-NE1 2.97Å; Y300-W471 HydrophobicContact CD2-CZ2 4.1Å; Y300-W471 AromaticContact CE2-CH2 3.95Å; Y300-W471 HydrophobicContact CE2-CH2 3.95Å; Y300-W471 AromaticContact CE2-CZ2 3.31Å; Y300-W471 HydrophobicContact CE2-CZ2 3.31Å; Y300-W471 AromaticContact CZ-CZ2 3.75Å; I466-W471 HydrophobicContact CD1-CB 3.7Å; I466-W471 HydrophobicContact CD1-CD2 3.95Å; I466-W471 HydrophobicContact CD1-CG 3.47Å; I466-W471 VanDerWaalsContact CD1-CG 3.47Å; I466-W471 HydrophobicContact CG1-CB 4.17Å; I466-W471 HydrophobicContact CG1-CD2 4.25Å; I466-W471 HydrophobicContact CG1-CG 3.63Å; M467-W471 VanDerWaalsContact O-CD1 3.3Å; N468-W471 PolarHBondContact O-N 2.87Å; N468-W471 VanDerWaalsContact O-N 3.17Å; W471-R538 HydrophobicContact CD2-CG 4.33Å; W471-R538 HydrophobicContact CH2-CG 4.21Å; W471-R538 HydrophobicContact CZ2-CG 3.74Å
472	S	77	Confident	79.6	Confident	50 Å²	50	72.5 Å²	72.5	35%	0.35	37%	0.373	S	S	.	.			trans	-82.6	147.9	179	-174.6	0	0	0	0	112.5	N468 T474	N468-S472 VanDerWaalsContact O-CB 3.28Å; N468-S472 WeakPolarHBondContact O-CB 3.48Å; N468-S472 PolarHBondContact O-N 3.1Å; S472-T474 VanDerWaalsContact C-N 3.32Å; S472-T474 WeakPolarHBondContact CB-O 3.45Å; S472-T474 PolarHBondContact OG-N 3.3Å; S472-T474 PolarHBondContact OG-O 3.29Å; S472-T474 PolarHBondContact OG-OG1 3.24Å
473	N	71	Confident	79.2	Confident	152 Å²	152	71.2 Å²	71.2	81%	0.813	37%	0.367	S	S	*	.	S	Bend	trans	-80	-17.2	168	-68.6	-30.9	0	0	0	112.5
474	T	69.9	Low	78.4	Confident	116 Å²	116	68.5 Å²	68.5	71%	0.712	35%	0.351	S	S	*	.	S	Bend	trans	-114.4	131.6	176	54.1	0	0	0	0	109.2	S472	S472-T474 VanDerWaalsContact C-N 3.32Å; S472-T474 WeakPolarHBondContact CB-O 3.45Å; S472-T474 PolarHBondContact OG-N 3.3Å; S472-T474 PolarHBondContact OG-O 3.29Å; S472-T474 PolarHBondContact OG-OG1 3.24Å
475	Y	70.4	Confident	77.4	Confident	87 Å²	87	69.2 Å²	69.2	34%	0.341	36%	0.364	S	S	.	.			trans	-132.4	150.9	-174	47.9	-101.4	0	0	0	111.5	E477 I480 T530 L534	Y475-E477 VanDerWaalsContact CE2-OE1 3.22Å; Y475-E477 WeakPolarHBondContact CE2-OE1 2.85Å; Y475-E477 PolarHBondContact O-N 2.89Å; Y475-I480 VanDerWaalsContact CB-CG1 3.48Å; Y475-I480 HydrophobicContact CD1-CG1 4.49Å; Y475-I480 HydrophobicContact CD2-CB 4.26Å; Y475-I480 HydrophobicContact CD2-CD1 4.42Å; Y475-I480 HydrophobicContact CD2-CG1 3.38Å; Y475-I480 HydrophobicContact CE2-CG1 4.2Å; Y475-I480 HydrophobicContact CG-CD1 4.11Å; Y475-I480 HydrophobicContact CG-CG1 3.54Å; Y475-T530 HydrophobicContact CE1-CG2 4.32Å; Y475-T530 HydrophobicContact CE2-CG2 4.38Å; Y475-L534 HydrophobicContact CD1-CD1 4.3Å
476	N	76.8	Confident	76.5	Confident	93 Å²	93	68.4 Å²	68.4	50%	0.497	36%	0.362	S	S	.	.			trans	-78	116.2	169.1	179.7	-43.8	0	0	0	108.2	A478 R479 I480	N476-A478 PolarHBondContact O-N 3.03Å; N476-A478 WeakPolarHBondContact OD1-CB 3.35Å; N476-A478 PolarHBondContact OD1-N 3.47Å; N476-R479 HydrophobicContact CB-CB 4.15Å; N476-R479 HydrophobicContact CB-CG 3.86Å; N476-R479 WeakPolarHBondContact O-CA 3.3Å; N476-R479 WeakPolarHBondContact O-CB 3.19Å; N476-R479 PolarHBondContact O-N 3.43Å; N476-R479 PolarHBondContact OD1-N 3.4Å; N476-I480 PolarHBondContact O-N 2.98Å
477	E	76.2	Confident	75.8	Confident	119 Å²	119	65.8 Å²	65.8	56%	0.556	35%	0.348	S	S	*	.	H	α-helix	trans	-53	-38	-177.5	-69.4	-64.2	166.4	0	0	113.6	Y475 R479 I480 S481	Y475-E477 VanDerWaalsContact CE2-OE1 3.22Å; Y475-E477 WeakPolarHBondContact CE2-OE1 2.85Å; Y475-E477 PolarHBondContact O-N 2.89Å; E477-R479 VanDerWaalsContact C-N 3.35Å; E477-I480 PolarHBondContact O-N 3.45Å; E477-S481 VanDerWaalsContact O-CB 3.29Å; E477-S481 WeakPolarHBondContact O-CB 2.88Å; E477-S481 PolarHBondContact O-N 3.2Å; E477-S481 PolarHBondContact O-OG 2.57Å
478	A	74.4	Confident	75	Confident	66 Å²	66	70.2 Å²	70.2	55%	0.545	37%	0.365	S	S	.	.	H	α-helix	trans	-67.8	-36.9	177.6	0	0	0	0	0	111.6	N476 F482	N476-A478 PolarHBondContact O-N 3.03Å; N476-A478 WeakPolarHBondContact OD1-CB 3.35Å; N476-A478 PolarHBondContact OD1-N 3.47Å; A478-F482 WeakPolarHBondContact O-CB 3.41Å; A478-F482 PolarHBondContact O-N 2.87Å
479	R	74.5	Confident	74	Confident	79 Å²	79	71.8 Å²	71.8	30%	0.298	37%	0.368	S	S	.	.	H	α-helix	trans	-70	-41.2	177.2	-60.9	-174.4	67.8	167.2	-4.3	112	I205 E469 N476 E477 F482 L483	I205-R479 HydrophobicContact CD1-CB 3.94Å; I205-R479 HydrophobicContact CD1-CG 3.71Å; I205-R479 HydrophobicContact CG2-CG 4.08Å; E469-R479 VanDerWaalsContact CD-NE 3.26Å; E469-R479 HydrophobicContact CG-CB 4Å; E469-R479 IonicContact OE1-CZ 3.59Å; E469-R479 IonicContact OE1-NE 2.99Å; E469-R479 PolarHBondContact OE1-NE 2.88Å; E469-R479 IonicContact OE1-NH1 2.9Å; E469-R479 PolarHBondContact OE1-NH1 2.96Å; E469-R479 IonicContact OE1-NH2 2.83Å; E469-R479 PolarHBondContact OE1-NH2 3.41Å; E469-R479 IonicContact OE2-CZ 3.46Å; E469-R479 IonicContact OE2-NE 2.74Å; E469-R479 IonicContact OE2-NH2 3.23Å; E469-R479 PolarHBondContact OE2-NH2 2.92Å; N476-R479 HydrophobicContact CB-CB 4.15Å; N476-R479 HydrophobicContact CB-CG 3.86Å; N476-R479 WeakPolarHBondContact O-CA 3.3Å; N476-R479 WeakPolarHBondContact O-CB 3.19Å; N476-R479 PolarHBondContact O-N 3.43Å; N476-R479 PolarHBondContact OD1-N 3.4Å; E477-R479 VanDerWaalsContact C-N 3.35Å; R479-F482 PolarHBondContact O-N 3Å; R479-L483 WeakPolarHBondContact O-CG 3.38Å; R479-L483 PolarHBondContact O-N 3.5Å
480	I	74.5	Confident	73.1	Confident	5 Å²	5	72.1 Å²	72.1	3%	0.026	37%	0.372	C	S	.	.	H	α-helix	trans	-65	-48.3	175.1	-62.7	-50.1	0	0	0	110.6	E469 Y475 N476 E477 F482 L483 M484 T530 L534	E469-I480 HydrophobicContact CB-CD1 3.87Å; E469-I480 HydrophobicContact CG-CD1 4.15Å; Y475-I480 VanDerWaalsContact CB-CG1 3.48Å; Y475-I480 HydrophobicContact CD1-CG1 4.49Å; Y475-I480 HydrophobicContact CD2-CB 4.26Å; Y475-I480 HydrophobicContact CD2-CD1 4.42Å; Y475-I480 HydrophobicContact CD2-CG1 3.38Å; Y475-I480 HydrophobicContact CE2-CG1 4.2Å; Y475-I480 HydrophobicContact CG-CD1 4.11Å; Y475-I480 HydrophobicContact CG-CG1 3.54Å; N476-I480 PolarHBondContact O-N 2.98Å; E477-I480 PolarHBondContact O-N 3.45Å; I480-F482 PolarHBondContact O-N 3.25Å; I480-L483 HydrophobicContact CD1-CD1 4.42Å; I480-L483 PolarHBondContact O-N 3.14Å; I480-L483 VanDerWaalsContact O-N 3.1Å; I480-M484 HydrophobicContact CG2-CG 3.87Å; I480-M484 VanDerWaalsContact O-CB 3.24Å; I480-M484 WeakPolarHBondContact O-CB 3.37Å; I480-M484 WeakPolarHBondContact O-CG 3.48Å; I480-M484 PolarHBondContact O-N 2.93Å; I480-T530 HydrophobicContact CG2-CG2 3.76Å; I480-L534 HydrophobicContact CD1-CD1 3.86Å; I480-L534 HydrophobicContact CD1-CD2 3.67Å; I480-L534 HydrophobicContact CD1-CG 4.39Å
481	S	76.1	Confident	71.9	Confident	59 Å²	59	72.4 Å²	72.4	41%	0.413	37%	0.373	S	S	.	.	H	α-helix	trans	-55.3	-40.6	177.4	-60.8	0	0	0	0	111.5	E477 N485	E477-S481 VanDerWaalsContact O-CB 3.29Å; E477-S481 WeakPolarHBondContact O-CB 2.88Å; E477-S481 PolarHBondContact O-N 3.2Å; E477-S481 PolarHBondContact O-OG 2.57Å; S481-N485 WeakPolarHBondContact O-CB 3.37Å; S481-N485 PolarHBondContact O-N 3.44Å; S481-N485 PolarHBondContact O-ND2 3.38Å
482	F	75	Confident	70.7	Confident	48 Å²	48	69.8 Å²	69.8	21%	0.211	37%	0.368	C	S	.	.	H	α-helix	trans	-64.9	-50	174.3	175.4	-92.5	0	0	0	113.1	S204 I205 A478 R479 I480 M484 N485 T486	S204-F482 WeakPolarHBondContact O-CE1 3.21Å; S204-F482 VanDerWaalsContact O-CE2 3.24Å; S204-F482 WeakPolarHBondContact O-CE2 3.4Å; S204-F482 WeakPolarHBondContact O-CZ 3.48Å; S204-F482 WeakPolarHBondContact OG-CE2 3.27Å; I205-F482 HydrophobicContact CB-CD1 4.44Å; I205-F482 HydrophobicContact CD1-CB 3.62Å; I205-F482 HydrophobicContact CD1-CD1 3.9Å; I205-F482 HydrophobicContact CD1-CG 3.78Å; I205-F482 HydrophobicContact CG1-CD1 4.19Å; I205-F482 HydrophobicContact CG1-CG 4.29Å; A478-F482 WeakPolarHBondContact O-CB 3.41Å; A478-F482 PolarHBondContact O-N 2.87Å; R479-F482 PolarHBondContact O-N 3Å; I480-F482 PolarHBondContact O-N 3.25Å; F482-M484 VanDerWaalsContact C-N 3.29Å; F482-M484 PolarHBondContact O-N 3.38Å; F482-N485 PolarHBondContact O-N 2.93Å; F482-T486 HydrophobicContact CE1-CG2 4.46Å; F482-T486 VanDerWaalsContact CE1-OG1 3.27Å; F482-T486 WeakPolarHBondContact CE1-OG1 3.17Å; F482-T486 VanDerWaalsContact CE2-OG1 3.29Å; F482-T486 WeakPolarHBondContact CE2-OG1 3.44Å; F482-T486 HydrophobicContact CZ-CG2 4.22Å; F482-T486 WeakPolarHBondContact CZ-OG1 3.4Å; F482-T486 VanDerWaalsContact O-CB 3.31Å; F482-T486 WeakPolarHBondContact O-CB 3.46Å; F482-T486 PolarHBondContact O-N 2.87Å; F482-T486 PolarHBondContact O-OG1 2.98Å
483	L	76.2	Confident	69.4	Low	32 Å²	32	72.2 Å²	72.2	17%	0.168	38%	0.377	C	S	.	.	H	α-helix	trans	-59.3	-44.1	178.1	-73.2	174.6	0	0	0	110.9	E469 L470 R479 I480 T486 F487 L537	E469-L483 HydrophobicContact CB-CD1 3.61Å; E469-L483 HydrophobicContact CG-CD1 3.91Å; L470-L483 HydrophobicContact CD2-CD1 4.49Å; R479-L483 WeakPolarHBondContact O-CG 3.38Å; R479-L483 PolarHBondContact O-N 3.5Å; I480-L483 HydrophobicContact CD1-CD1 4.42Å; I480-L483 PolarHBondContact O-N 3.14Å; I480-L483 VanDerWaalsContact O-N 3.1Å; L483-T486 PolarHBondContact O-N 3.38Å; L483-F487 HydrophobicContact CD2-CD2 4.11Å; L483-F487 HydrophobicContact CD2-CE2 3.8Å; L483-F487 WeakPolarHBondContact O-CB 3.41Å; L483-F487 VanDerWaalsContact O-CD2 3.3Å; L483-F487 WeakPolarHBondContact O-CD2 3.43Å; L483-F487 PolarHBondContact O-N 2.83Å; L483-L537 HydrophobicContact CB-CD1 4.37Å
484	M	74.3	Confident	68.2	Low	35 Å²	35	66.5 Å²	66.5	17%	0.172	35%	0.348	C	S	.	.	H	α-helix	trans	-58.8	-47.1	176.7	-75.4	-55	-56.9	0	0	112.1	I480 F482 Y488 F491 I533	I480-M484 HydrophobicContact CG2-CG 3.87Å; I480-M484 VanDerWaalsContact O-CB 3.24Å; I480-M484 WeakPolarHBondContact O-CB 3.37Å; I480-M484 WeakPolarHBondContact O-CG 3.48Å; I480-M484 PolarHBondContact O-N 2.93Å; F482-M484 VanDerWaalsContact C-N 3.29Å; F482-M484 PolarHBondContact O-N 3.38Å; M484-Y488 VanDerWaalsContact O-CA 3.24Å; M484-Y488 WeakPolarHBondContact O-CA 3.38Å; M484-Y488 VanDerWaalsContact O-CB 3.32Å; M484-Y488 WeakPolarHBondContact O-CB 3.39Å; M484-Y488 PolarHBondContact O-N 2.92Å; M484-F491 HydrophobicContact CE-CD2 3.99Å; M484-F491 HydrophobicContact CE-CE2 3.96Å; M484-F491 HydrophobicContact SD-CD2 4.44Å; M484-F491 HydrophobicContact SD-CE2 3.84Å; M484-F491 HydrophobicContact SD-CZ 4.25Å; M484-I533 HydrophobicContact CE-CB 4.32Å; M484-I533 HydrophobicContact CE-CD1 3.31Å; M484-I533 HydrophobicContact CE-CG1 4.31Å; M484-I533 HydrophobicContact CE-CG2 3.69Å; M484-I533 HydrophobicContact SD-CB 3.95Å; M484-I533 HydrophobicContact SD-CD1 3.96Å; M484-I533 HydrophobicContact SD-CG2 3.28Å; M484-I533 WeakPolarHBondContact SD-CG2 3.44Å
485	N	71.8	Confident	66.6	Low	128 Å²	128	64.4 Å²	64.4	68%	0.684	34%	0.335	S	S	*	.	H	α-helix	trans	-67.8	-41.9	177.8	-73	-11.2	0	0	0	112.2	S481 F482	S481-N485 WeakPolarHBondContact O-CB 3.37Å; S481-N485 PolarHBondContact O-N 3.44Å; S481-N485 PolarHBondContact O-ND2 3.38Å; F482-N485 PolarHBondContact O-N 2.93Å
486	T	70	Confident	65	Low	56 Å²	56	66 Å²	66	34%	0.344	35%	0.354	S	S	.	.	H	α-helix	trans	-69.1	-40.2	-176.4	-57.8	0	0	0	0	111.8	F482 L483	F482-T486 HydrophobicContact CE1-CG2 4.46Å; F482-T486 VanDerWaalsContact CE1-OG1 3.27Å; F482-T486 WeakPolarHBondContact CE1-OG1 3.17Å; F482-T486 VanDerWaalsContact CE2-OG1 3.29Å; F482-T486 WeakPolarHBondContact CE2-OG1 3.44Å; F482-T486 HydrophobicContact CZ-CG2 4.22Å; F482-T486 WeakPolarHBondContact CZ-OG1 3.4Å; F482-T486 VanDerWaalsContact O-CB 3.31Å; F482-T486 WeakPolarHBondContact O-CB 3.46Å; F482-T486 PolarHBondContact O-N 2.87Å; F482-T486 PolarHBondContact O-OG1 2.98Å; L483-T486 PolarHBondContact O-N 3.38Å
487	F	72.8	Confident	63.1	Low	12 Å²	12	65.9 Å²	65.9	5%	0.053	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105	17.8	-177	-59.9	-70.5	0	0	0	112.5	Q190 F191 L483 H489 V490 F491 L537 F541	Q190-F487 HydrophobicContact CG-CD1 4.43Å; Q190-F487 HydrophobicContact CG-CE1 4.31Å; F191-F487 HydrophobicContact CE1-CE1 4.24Å; F191-F487 HydrophobicContact CE1-CZ 4.38Å; L483-F487 HydrophobicContact CD2-CD2 4.11Å; L483-F487 HydrophobicContact CD2-CE2 3.8Å; L483-F487 WeakPolarHBondContact O-CB 3.41Å; L483-F487 VanDerWaalsContact O-CD2 3.3Å; L483-F487 WeakPolarHBondContact O-CD2 3.43Å; L483-F487 PolarHBondContact O-N 2.83Å; F487-H489 PolarHBondContact O-N 3.39Å; F487-H489 VanDerWaalsContact O-N 3.14Å; F487-V490 HydrophobicContact CB-CB 4.3Å; F487-V490 HydrophobicContact CB-CG2 4.01Å; F487-V490 HydrophobicContact CD1-CG2 4.03Å; F487-V490 WeakPolarHBondContact O-CA 3.38Å; F487-V490 VanDerWaalsContact O-CB 3.24Å; F487-V490 WeakPolarHBondContact O-CB 3.48Å; F487-V490 PolarHBondContact O-N 3.45Å; F487-F491 HydrophobicContact CB-CE2 3.97Å; F487-F491 HydrophobicContact CB-CZ 3.95Å; F487-F491 WeakPolarHBondContact O-CD2 3.37Å; F487-F491 WeakPolarHBondContact O-CE2 3.37Å; F487-L537 HydrophobicContact CB-CD2 3.86Å; F487-L537 HydrophobicContact CD2-CD2 4.45Å; F487-L537 HydrophobicContact CG-CD2 4.16Å; F487-F541 HydrophobicContact CD1-CE2 4.35Å; F487-F541 HydrophobicContact CE1-CD1 4.42Å; F487-F541 HydrophobicContact CE1-CD2 4.06Å; F487-F541 AromaticContact CE1-CE1 3.9Å; F487-F541 HydrophobicContact CE1-CE1 3.9Å; F487-F541 AromaticContact CE1-CE2 3.51Å; F487-F541 HydrophobicContact CE1-CE2 3.51Å; F487-F541 HydrophobicContact CE1-CG 4.48Å; F487-F541 AromaticContact CE1-CZ 3.41Å; F487-F541 HydrophobicContact CE1-CZ 3.41Å; F487-F541 VanDerWaalsContact CE1-CZ 3.41Å; F487-F541 HydrophobicContact CE2-CE1 4.14Å; F487-F541 HydrophobicContact CE2-CZ 4.4Å; F487-F541 HydrophobicContact CZ-CD1 4.21Å; F487-F541 AromaticContact CZ-CE1 3.48Å; F487-F541 HydrophobicContact CZ-CE1 3.48Å; F487-F541 VanDerWaalsContact CZ-CE1 3.48Å; F487-F541 AromaticContact CZ-CE2 3.96Å; F487-F541 HydrophobicContact CZ-CE2 3.96Å; F487-F541 AromaticContact CZ-CZ 3.34Å; F487-F541 HydrophobicContact CZ-CZ 3.34Å
488	Y	67.6	Low	61.1	Low	114 Å²	114	65.9 Å²	65.9	45%	0.447	37%	0.365	S	S	.	.	H	α-helix	trans	-51.2	-43.5	-179.5	-174.4	-108.7	0	0	0	112.1	M484 V490 F491 T492	M484-Y488 VanDerWaalsContact O-CA 3.24Å; M484-Y488 WeakPolarHBondContact O-CA 3.38Å; M484-Y488 VanDerWaalsContact O-CB 3.32Å; M484-Y488 WeakPolarHBondContact O-CB 3.39Å; M484-Y488 PolarHBondContact O-N 2.92Å; Y488-V490 VanDerWaalsContact C-N 3.26Å; Y488-V490 PolarHBondContact O-N 3.33Å; Y488-F491 WeakPolarHBondContact O-CA 3.23Å; Y488-F491 WeakPolarHBondContact O-CB 3.22Å; Y488-F491 PolarHBondContact O-N 2.97Å; Y488-T492 HydrophobicContact CD1-CG2 3.66Å; Y488-T492 HydrophobicContact CD2-CG2 4.48Å; Y488-T492 HydrophobicContact CE1-CG2 3.18Å; Y488-T492 HydrophobicContact CE2-CG2 4.07Å; Y488-T492 HydrophobicContact CG-CG2 4.29Å; Y488-T492 PolarHBondContact O-N 3.38Å
489	H	61.8	Low	59	Low	126 Å²	126	68.4 Å²	68.4	58%	0.583	37%	0.373	S	S	*	.	H	α-helix	trans	-64.1	-25.2	177.7	-62.6	-59.6	0	0	0	114.5	F487 F491 T492	F487-H489 PolarHBondContact O-N 3.39Å; F487-H489 VanDerWaalsContact O-N 3.14Å; H489-F491 PolarHBondContact O-N 2.87Å; H489-T492 PolarHBondContact O-OG1 2.99Å
490	V	61.8	Low	56.9	Low	30 Å²	30	71.2 Å²	71.2	18%	0.182	40%	0.4	C	S	.	.	H	α-helix	trans	-68.7	-28.8	173.2	-175.9	0	0	0	0	110	F487 Y488	F487-V490 HydrophobicContact CB-CB 4.3Å; F487-V490 HydrophobicContact CB-CG2 4.01Å; F487-V490 HydrophobicContact CD1-CG2 4.03Å; F487-V490 WeakPolarHBondContact O-CA 3.38Å; F487-V490 VanDerWaalsContact O-CB 3.24Å; F487-V490 WeakPolarHBondContact O-CB 3.48Å; F487-V490 PolarHBondContact O-N 3.45Å; Y488-V490 VanDerWaalsContact C-N 3.26Å; Y488-V490 PolarHBondContact O-N 3.33Å
491	F	57.5	Low	54.7	Low	16 Å²	16	77.4 Å²	77.4	7%	0.07	44%	0.438	C	S	.	.	H	α-helix	trans	-92.2	-29.8	-178.8	-46	-52.9	0	0	0	114.5	M484 F487 Y488 H489 N493 T494 I533 L537	M484-F491 HydrophobicContact CE-CD2 3.99Å; M484-F491 HydrophobicContact CE-CE2 3.96Å; M484-F491 HydrophobicContact SD-CD2 4.44Å; M484-F491 HydrophobicContact SD-CE2 3.84Å; M484-F491 HydrophobicContact SD-CZ 4.25Å; F487-F491 HydrophobicContact CB-CE2 3.97Å; F487-F491 HydrophobicContact CB-CZ 3.95Å; F487-F491 WeakPolarHBondContact O-CD2 3.37Å; F487-F491 WeakPolarHBondContact O-CE2 3.37Å; Y488-F491 WeakPolarHBondContact O-CA 3.23Å; Y488-F491 WeakPolarHBondContact O-CB 3.22Å; Y488-F491 PolarHBondContact O-N 2.97Å; H489-F491 PolarHBondContact O-N 2.87Å; F491-N493 VanDerWaalsContact C-N 3.31Å; F491-N493 PolarHBondContact O-N 3.29Å; F491-T494 PolarHBondContact O-N 3.47Å; F491-T494 PolarHBondContact O-OG1 3.01Å; F491-I533 HydrophobicContact CD1-CG2 3.51Å; F491-I533 HydrophobicContact CD2-CG2 3.87Å; F491-I533 HydrophobicContact CE1-CG2 3.28Å; F491-I533 HydrophobicContact CE2-CG2 3.68Å; F491-I533 HydrophobicContact CG-CG2 3.8Å; F491-I533 HydrophobicContact CZ-CG2 3.36Å; F491-L537 HydrophobicContact CE1-CD1 4.29Å; F491-L537 HydrophobicContact CE1-CD2 3.39Å; F491-L537 HydrophobicContact CE1-CG 3.41Å; F491-L537 VanDerWaalsContact CE1-CG 3.41Å; F491-L537 HydrophobicContact CZ-CD1 3.68Å; F491-L537 HydrophobicContact CZ-CD2 3.31Å; F491-L537 HydrophobicContact CZ-CG 3.3Å
492	T	54.5	Low	52.4	Low	42 Å²	42	81.1 Å²	81.1	26%	0.258	46%	0.458	S	S	.	.	H	α-helix	trans	-70.6	-29.2	-176.6	52.2	0	0	0	0	112.9	Y488 H489 T494	Y488-T492 HydrophobicContact CD1-CG2 3.66Å; Y488-T492 HydrophobicContact CD2-CG2 4.48Å; Y488-T492 HydrophobicContact CE1-CG2 3.18Å; Y488-T492 HydrophobicContact CE2-CG2 4.07Å; Y488-T492 HydrophobicContact CG-CG2 4.29Å; Y488-T492 PolarHBondContact O-N 3.38Å; H489-T492 PolarHBondContact O-OG1 2.99Å; T492-T494 VanDerWaalsContact C-N 3.28Å; T492-T494 PolarHBondContact O-N 3.32Å
493	N	50.1	Low	50.1	Low	101 Å²	101	85.1 Å²	85.1	54%	0.54	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-9.6	-177.5	-72.7	5.3	0	0	0	113.5	F491	F491-N493 VanDerWaalsContact C-N 3.31Å; F491-N493 PolarHBondContact O-N 3.29Å
494	T	46.7	Very low	47.9	Very low	33 Å²	33	90.9 Å²	90.9	20%	0.202	52%	0.518	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-12.6	-175.6	54.8	0	0	0	0	114.2	F491 T492	F491-T494 PolarHBondContact O-N 3.47Å; F491-T494 PolarHBondContact O-OG1 3.01Å; T492-T494 VanDerWaalsContact C-N 3.28Å; T492-T494 PolarHBondContact O-N 3.32Å
495	T	36.8	Very low	46	Very low	71 Å²	71	97.1 Å²	97.1	44%	0.436	55%	0.552	S	S	.	*	S	Bend	trans	-117.8	-1.1	-168.3	45.8	0	0	0	0	116.7	T497	T495-T497 VanDerWaalsContact C-N 3.29Å; T495-T497 PolarHBondContact O-N 3.1Å
496	T	35.4	Very low	43.9	Very low	122 Å²	122	97 Å²	97	75%	0.748	56%	0.556	S	S	*	*	S	Bend	trans	-81.9	7	176.7	48.2	0	0	0	0	115.3
497	T	37.3	Very low	41.7	Very low	89 Å²	89	100.2 Å²	100.2	55%	0.546	58%	0.576	S	S	.	*	S	Bend	trans	-136.1	7.6	-173.7	41	0	0	0	0	118.5	T495	T495-T497 VanDerWaalsContact C-N 3.29Å; T495-T497 PolarHBondContact O-N 3.1Å
498	T	34.7	Very low	39.7	Very low	120 Å²	120	110.9 Å²	110.9	74%	0.736	62%	0.617	S	S	*	*	S	Bend	trans	-119.6	8.7	178.7	37.9	0	0	0	0	116.8
499	T	30.2	Very low	37.8	Very low	118 Å²	118	112.5 Å²	112.5	72%	0.724	63%	0.633	S	S	*	*	S	Bend	trans	-132.9	87.4	169.8	44	0	0	0	0	111
500	T	29.7	Very low	36.3	Very low	139 Å²	139	112.6 Å²	112.6	85%	0.853	64%	0.643	S	S	*	*	S	Bend	trans	169.7	54.3	143.1	35.3	0	0	0	0	112.2
501	T	28	Very low	34.6	Very low	134 Å²	134	116.7 Å²	116.7	82%	0.822	67%	0.668	S	S	*	*	S	Bend	trans	-152.4	57.5	158	54.6	0	0	0	0	112
502	T	27.5	Very low	33.4	Very low	138 Å²	138	122.8 Å²	122.8	85%	0.847	70%	0.702	S	S	*	*			trans	-155.7	71.7	153.4	53.1	0	0	0	0	109
503	T	28.3	Very low	32.4	Very low	131 Å²	131	128.4 Å²	128.4	80%	0.804	73%	0.73	S	S	*	*			trans	-135.1	99.5	150.4	43.2	0	0	0	0	106.2	N505	T503-N505 PolarHBondContact O-N 3.48Å
504	D	30	Very low	31.5	Very low	154 Å²	154	131 Å²	131	82%	0.824	74%	0.744	S	S	*	*			trans	-45.1	129.2	162.5	-70	-44.2	0	0	0	109.3	T506	D504-T506 PolarHBondContact O-N 2.94Å
505	N	33.1	Very low	30.7	Very low	165 Å²	165	135.5 Å²	135.5	88%	0.882	77%	0.772	S	S	*	*			trans	-57.7	99.2	175.5	-70.2	-38.3	0	0	0	109.5	T503	T503-N505 PolarHBondContact O-N 3.48Å
506	T	28.9	Very low	30.5	Very low	125 Å²	125	137.8 Å²	137.8	77%	0.767	78%	0.781	S	S	*	*			trans	-115.7	103	153.7	47.7	0	0	0	0	108.2	D504 Y508	D504-T506 PolarHBondContact O-N 2.94Å; T506-Y508 PolarHBondContact O-N 3.17Å
507	T	23.7	Very low	30.4	Very low	125 Å²	125	140.4 Å²	140.4	77%	0.767	78%	0.782	S	S	*	*			trans	-32.1	116.7	162.8	29.4	0	0	0	0	113.9
508	Y	31.1	Very low	30.2	Very low	236 Å²	236	142 Å²	142	93%	0.925	79%	0.792	S	S	*	*			trans	-142.8	123.2	143	-95.7	-80.1	0	0	0	110.2	T506	T506-Y508 PolarHBondContact O-N 3.17Å
509	N	26.9	Very low	29.9	Very low	147 Å²	147	139.4 Å²	139.4	79%	0.786	78%	0.776	S	S	*	*			trans	-63	146.8	174	-64.8	-41	0	0	0	111.5
510	T	30.1	Very low	30	Very low	129 Å²	129	137.8 Å²	137.8	79%	0.791	76%	0.763	S	S	*	*				174.3	118.2	114.9	36.4	0	0	0	0	111.9
511	T	27.2	Very low	30.3	Very low	115 Å²	115	137.9 Å²	137.9	71%	0.706	76%	0.758	S	S	*	*			trans	30.8	129.8	136	56.6	0	0	0	0	123
512	N	30.9	Very low	30.6	Very low	145 Å²	145	136.7 Å²	136.7	78%	0.775	75%	0.746	S	S	*	*			trans	71.5	104.2	145.8	-58.4	-4.7	0	0	0	118.4
513	D	33.2	Very low	30.7	Very low	159 Å²	159	134.5 Å²	134.5	85%	0.85	73%	0.728	S	S	*	*				-173.1	143.6	94.5	-115.8	-22.7	0	0	0	111.6
514	N	31.6	Very low	31.4	Very low	156 Å²	156	133 Å²	133	83%	0.834	72%	0.723	S	S	*	*			trans	-95.2	107	176.4	-76.6	-40.9	0	0	0	109.2
515	T	29.6	Very low	32.3	Very low	127 Å²	127	128.5 Å²	128.5	78%	0.779	70%	0.704	S	S	*	*	S	Bend	trans	-170.4	133.6	147.4	35.7	0	0	0	0	109.9
516	D	33.5	Very low	33.1	Very low	120 Å²	120	127.3 Å²	127.3	64%	0.642	69%	0.693	S	S	*	*			trans	64.7	68.5	161.4	-60	-19.4	0	0	0	120.5	T519	D516-T519 PolarHBondContact O-OG1 3.35Å
517	K	32	Very low	34.1	Very low	176 Å²	176	128.5 Å²	128.5	77%	0.765	70%	0.695	S	S	*	*			trans	-95.6	5.1	168.1	-83.4	-175.3	174.8	176	0	116
518	T	33.1	Very low	35.9	Very low	122 Å²	122	126 Å²	126	75%	0.748	68%	0.676	S	S	*	*	S	Bend	trans	-87.7	-12.5	174.5	48.6	0	0	0	0	113.5
519	T	30.1	Very low	38	Very low	67 Å²	67	117.6 Å²	117.6	41%	0.411	65%	0.651	S	S	.	*	S	Bend	trans	-90	-19.9	174.4	28.4	0	0	0	0	113.5	D516 N521 I522 I523	D516-T519 PolarHBondContact O-OG1 3.35Å; T519-N521 VanDerWaalsContact C-N 3.33Å; T519-N521 PolarHBondContact O-N 3.32Å; T519-I522 PolarHBondContact O-N 2.65Å; T519-I523 WeakPolarHBondContact O-CG1 3.36Å; T519-I523 PolarHBondContact O-N 3.23Å
520	D	31	Very low	40.3	Very low	84 Å²	84	113.1 Å²	113.1	45%	0.449	63%	0.63	S	S	.	*	H	α-helix	trans	-66.8	-30.4	-176.5	-71.9	-16.3	0	0	0	113.6	I522	D520-I522 VanDerWaalsContact C-N 3.33Å
521	N	36.5	Very low	42.5	Very low	140 Å²	140	114.5 Å²	114.5	75%	0.749	63%	0.625	S	S	*	*	H	α-helix	trans	-79.2	-15.2	177.9	-74.2	-9.6	0	0	0	113.6	T519	T519-N521 VanDerWaalsContact C-N 3.33Å; T519-N521 PolarHBondContact O-N 3.32Å
522	I	34.9	Very low	45.1	Very low	109 Å²	109	112.3 Å²	112.3	56%	0.559	61%	0.611	S	S	*	*	H	α-helix	trans	-88.7	-35.2	176.7	-61.4	174.4	0	0	0	109.8	T519 D520 S525	T519-I522 PolarHBondContact O-N 2.65Å; D520-I522 VanDerWaalsContact C-N 3.33Å; I522-S525 PolarHBondContact O-OG 3.07Å
523	I	30	Very low	47.4	Very low	92 Å²	92	106.2 Å²	106.2	47%	0.472	58%	0.579	S	S	.	*	H	α-helix	trans	-77.3	-26.8	-173.6	-63.1	166.9	0	0	0	112.7	T519 S525 Q526	T519-I523 WeakPolarHBondContact O-CG1 3.36Å; T519-I523 PolarHBondContact O-N 3.23Å; I523-S525 PolarHBondContact O-N 3.01Å; I523-S525 VanDerWaalsContact O-N 3.16Å; I523-Q526 PolarHBondContact O-N 3.1Å
524	S	42.8	Very low	49.8	Very low	100 Å²	100	99.2 Å²	99.2	70%	0.699	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-18.9	178.3	64.3	0	0	0	0	114.2
525	S	49	Very low	52.3	Low	60 Å²	60	93.7 Å²	93.7	42%	0.42	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-17	177.9	71	0	0	0	0	114.7	I522 I523	I522-S525 PolarHBondContact O-OG 3.07Å; I523-S525 PolarHBondContact O-N 3.01Å; I523-S525 VanDerWaalsContact O-N 3.16Å
526	Q	48.2	Very low	54.9	Low	139 Å²	139	89.7 Å²	89.7	65%	0.65	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-11	-167.2	-74.1	-171.8	-27.1	0	0	115.7	I523	I523-Q526 PolarHBondContact O-N 3.1Å
527	N	51.6	Low	57.4	Low	151 Å²	151	84 Å²	84	81%	0.807	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.6	26.4	-178.1	-76.6	-14.5	0	0	0	113.9	S529	N527-S529 PolarHBondContact O-N 3.23Å
528	L	61.2	Low	60.1	Low	73 Å²	73	79.1 Å²	79.1	38%	0.382	43%	0.434	S	S	.	.	S	Bend	trans	-69	119.1	164	-164.4	60.5	0	0	0	107.3	T530 T532 I533	L528-T530 PolarHBondContact O-N 3.38Å; L528-T532 HydrophobicContact CD1-CG2 3.63Å; L528-T532 HydrophobicContact CD2-CG2 4.31Å; L528-T532 HydrophobicContact CG-CG2 4.03Å; L528-I533 HydrophobicContact CB-CD1 4.11Å; L528-I533 HydrophobicContact CB-CG1 4.07Å; L528-I533 HydrophobicContact CD2-CD1 4.36Å; L528-I533 HydrophobicContact CD2-CG1 3.61Å; L528-I533 HydrophobicContact CG-CD1 4.36Å; L528-I533 HydrophobicContact CG-CG1 3.76Å
529	S	73.6	Confident	62.8	Low	58 Å²	58	75 Å²	75	41%	0.406	41%	0.407	S	S	.	.			trans	-54.3	135.9	-178.7	82.6	0	0	0	0	109.6	N527 K531 T532 I533	N527-S529 PolarHBondContact O-N 3.23Å; S529-K531 PolarHBondContact O-N 2.84Å; S529-T532 WeakPolarHBondContact O-CA 3.26Å; S529-T532 WeakPolarHBondContact O-CB 3.26Å; S529-T532 PolarHBondContact O-N 3.43Å; S529-T532 PolarHBondContact OG-N 3.34Å; S529-T532 VanDerWaalsContact OG-N 3.16Å; S529-T532 PolarHBondContact OG-OG1 3.5Å; S529-I533 PolarHBondContact O-N 3.41Å
530	T	75.2	Confident	65.6	Low	53 Å²	53	72.6 Å²	72.6	33%	0.325	39%	0.392	S	S	.	.	H	α-helix	trans	-46.6	-37.3	176.4	-51.8	0	0	0	0	111.4	Y475 I480 L528 I533 L534	Y475-T530 HydrophobicContact CE1-CG2 4.32Å; Y475-T530 HydrophobicContact CE2-CG2 4.38Å; I480-T530 HydrophobicContact CG2-CG2 3.76Å; L528-T530 PolarHBondContact O-N 3.38Å; T530-I533 PolarHBondContact O-N 2.8Å; T530-L534 HydrophobicContact CG2-CD1 3.99Å; T530-L534 HydrophobicContact CG2-CG 4.41Å; T530-L534 VanDerWaalsContact O-CG 3.29Å; T530-L534 WeakPolarHBondContact O-CG 3.45Å; T530-L534 PolarHBondContact O-N 3.27Å
531	K	77.7	Confident	68.4	Low	158 Å²	158	69 Å²	69	69%	0.687	37%	0.372	S	S	*	.	H	α-helix	trans	-59.9	-44.3	175.5	-175	177.9	-179.7	179	0	113.6	S529 I533 S535	S529-K531 PolarHBondContact O-N 2.84Å; K531-I533 VanDerWaalsContact C-N 3.31Å; K531-S535 WeakPolarHBondContact O-CB 3.3Å; K531-S535 PolarHBondContact O-N 3.44Å
532	T	81.1	Confident	71	Confident	69 Å²	69	62.4 Å²	62.4	42%	0.423	34%	0.337	S	S	.	.	H	α-helix	trans	-63.3	-42	177.8	-52.9	0	0	0	0	110.5	L528 S529 S535 E536	L528-T532 HydrophobicContact CD1-CG2 3.63Å; L528-T532 HydrophobicContact CD2-CG2 4.31Å; L528-T532 HydrophobicContact CG-CG2 4.03Å; S529-T532 WeakPolarHBondContact O-CA 3.26Å; S529-T532 WeakPolarHBondContact O-CB 3.26Å; S529-T532 PolarHBondContact O-N 3.43Å; S529-T532 PolarHBondContact OG-N 3.34Å; S529-T532 VanDerWaalsContact OG-N 3.16Å; S529-T532 PolarHBondContact OG-OG1 3.5Å; T532-S535 PolarHBondContact O-N 2.86Å; T532-E536 PolarHBondContact O-N 3.37Å
533	I	79.9	Confident	73.8	Confident	18 Å²	18	57.7 Å²	57.7	9%	0.092	31%	0.313	C	S	.	.	H	α-helix	trans	-66.6	-44.6	-178.7	-54.3	174.5	0	0	0	111.5	M484 F491 L528 S529 T530 K531 S535 E536 L537	M484-I533 HydrophobicContact CE-CB 4.32Å; M484-I533 HydrophobicContact CE-CD1 3.31Å; M484-I533 HydrophobicContact CE-CG1 4.31Å; M484-I533 HydrophobicContact CE-CG2 3.69Å; M484-I533 HydrophobicContact SD-CB 3.95Å; M484-I533 HydrophobicContact SD-CD1 3.96Å; M484-I533 HydrophobicContact SD-CG2 3.28Å; M484-I533 WeakPolarHBondContact SD-CG2 3.44Å; F491-I533 HydrophobicContact CD1-CG2 3.51Å; F491-I533 HydrophobicContact CD2-CG2 3.87Å; F491-I533 HydrophobicContact CE1-CG2 3.28Å; F491-I533 HydrophobicContact CE2-CG2 3.68Å; F491-I533 HydrophobicContact CG-CG2 3.8Å; F491-I533 HydrophobicContact CZ-CG2 3.36Å; L528-I533 HydrophobicContact CB-CD1 4.11Å; L528-I533 HydrophobicContact CB-CG1 4.07Å; L528-I533 HydrophobicContact CD2-CD1 4.36Å; L528-I533 HydrophobicContact CD2-CG1 3.61Å; L528-I533 HydrophobicContact CG-CD1 4.36Å; L528-I533 HydrophobicContact CG-CG1 3.76Å; S529-I533 PolarHBondContact O-N 3.41Å; T530-I533 PolarHBondContact O-N 2.8Å; K531-I533 VanDerWaalsContact C-N 3.31Å; I533-S535 VanDerWaalsContact C-N 3.3Å; I533-S535 PolarHBondContact O-N 3.09Å; I533-E536 PolarHBondContact O-N 3.26Å; I533-E536 VanDerWaalsContact O-N 3.14Å; I533-L537 PolarHBondContact O-N 3.02Å
534	L	83.6	Confident	76.9	Confident	11 Å²	11	53.3 Å²	53.3	6%	0.058	29%	0.29	C	S	.	.	H	α-helix	trans	-64.7	-35.6	176.4	-66.2	171.9	0	0	0	112.1	L470 Y475 I480 T530 E536 L537 R538	L470-L534 HydrophobicContact CD2-CD2 3.88Å; Y475-L534 HydrophobicContact CD1-CD1 4.3Å; I480-L534 HydrophobicContact CD1-CD1 3.86Å; I480-L534 HydrophobicContact CD1-CD2 3.67Å; I480-L534 HydrophobicContact CD1-CG 4.39Å; T530-L534 HydrophobicContact CG2-CD1 3.99Å; T530-L534 HydrophobicContact CG2-CG 4.41Å; T530-L534 VanDerWaalsContact O-CG 3.29Å; T530-L534 WeakPolarHBondContact O-CG 3.45Å; T530-L534 PolarHBondContact O-N 3.27Å; L534-E536 VanDerWaalsContact C-N 3.34Å; L534-L537 HydrophobicContact CD2-CD1 4.44Å; L534-L537 PolarHBondContact O-N 2.88Å; L534-R538 VanDerWaalsContact O-CB 3.31Å; L534-R538 WeakPolarHBondContact O-CB 3.38Å; L534-R538 PolarHBondContact O-N 3.48Å
535	S	84.2	Confident	79.4	Confident	41 Å²	41	49.4 Å²	49.4	29%	0.287	26%	0.262	S	S	.	.	H	α-helix	trans	-64.3	-39.4	172.5	-172.7	0	0	0	0	112	K531 T532 I533 R538 N539	K531-S535 WeakPolarHBondContact O-CB 3.3Å; K531-S535 PolarHBondContact O-N 3.44Å; T532-S535 PolarHBondContact O-N 2.86Å; I533-S535 VanDerWaalsContact C-N 3.3Å; I533-S535 PolarHBondContact O-N 3.09Å; S535-R538 PolarHBondContact O-N 2.82Å; S535-R538 PolarHBondContact OG-NH2 3.46Å; S535-N539 VanDerWaalsContact O-CG 3.28Å; S535-N539 PolarHBondContact O-N 2.81Å; S535-N539 VanDerWaalsContact O-N 3.17Å; S535-N539 PolarHBondContact O-ND2 2.92Å
536	E	84.1	Confident	81.6	Confident	42 Å²	42	46.6 Å²	46.6	20%	0.196	24%	0.242	C	C	.	.	H	α-helix	trans	-67.2	-42.8	177.3	-168.3	64.5	-169.6	0	0	111.3	Q264 T532 I533 L534 N539 N540	Q264-E536 PolarHBondContact NE2-OE1 2.88Å; T532-E536 PolarHBondContact O-N 3.37Å; I533-E536 PolarHBondContact O-N 3.26Å; I533-E536 VanDerWaalsContact O-N 3.14Å; L534-E536 VanDerWaalsContact C-N 3.34Å; E536-N539 PolarHBondContact O-N 2.97Å; E536-N540 WeakPolarHBondContact O-CB 3.35Å; E536-N540 PolarHBondContact O-N 2.96Å; E536-N540 VanDerWaalsContact O-N 3.08Å; E536-N540 PolarHBondContact O-ND2 3.49Å; E536-N540 PolarHBondContact OE1-ND2 3.39Å
537	L	85.6	Confident	83.7	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-57.8	-49.4	171.3	-82	-173.1	0	0	0	111.9	L470 L483 F487 F491 I533 L534 N539 N540 F541	L470-L537 HydrophobicContact CD1-CB 4.28Å; L470-L537 HydrophobicContact CD2-CB 3.63Å; L470-L537 HydrophobicContact CD2-CD1 3.76Å; L470-L537 HydrophobicContact CD2-CG 4.36Å; L483-L537 HydrophobicContact CB-CD1 4.37Å; F487-L537 HydrophobicContact CB-CD2 3.86Å; F487-L537 HydrophobicContact CD2-CD2 4.45Å; F487-L537 HydrophobicContact CG-CD2 4.16Å; F491-L537 HydrophobicContact CE1-CD1 4.29Å; F491-L537 HydrophobicContact CE1-CD2 3.39Å; F491-L537 HydrophobicContact CE1-CG 3.41Å; F491-L537 VanDerWaalsContact CE1-CG 3.41Å; F491-L537 HydrophobicContact CZ-CD1 3.68Å; F491-L537 HydrophobicContact CZ-CD2 3.31Å; F491-L537 HydrophobicContact CZ-CG 3.3Å; I533-L537 PolarHBondContact O-N 3.02Å; L534-L537 HydrophobicContact CD2-CD1 4.44Å; L534-L537 PolarHBondContact O-N 2.88Å; L537-N539 PolarHBondContact O-N 3.21Å; L537-N540 PolarHBondContact O-N 3.41Å; L537-F541 HydrophobicContact CD2-CB 4.42Å; L537-F541 WeakPolarHBondContact O-CB 3.4Å; L537-F541 PolarHBondContact O-N 2.92Å
538	R	88.7	Confident	85.7	Confident	73 Å²	73	35.5 Å²	35.5	28%	0.275	18%	0.184	S	C	.	.	H	α-helix	trans	-55	-38.1	-178.1	-174.7	-178.7	59.4	-161.5	-3.6	111.9	P298 G299 L470 W471 L534 S535	P298-R538 CarbonylContact C-O 3.24Å; P298-R538 VanDerWaalsContact CB-O 3.29Å; P298-R538 WeakPolarHBondContact CB-O 3.01Å; G299-R538 WeakPolarHBondContact CA-O 2.94Å; G299-R538 PolarHBondContact N-O 3.19Å; L470-R538 HydrophobicContact CB-CB 4.04Å; L470-R538 HydrophobicContact CB-CG 4.29Å; L470-R538 WeakPolarHBondContact O-CD 3.4Å; W471-R538 HydrophobicContact CD2-CG 4.33Å; W471-R538 HydrophobicContact CH2-CG 4.21Å; W471-R538 HydrophobicContact CZ2-CG 3.74Å; L534-R538 VanDerWaalsContact O-CB 3.31Å; L534-R538 WeakPolarHBondContact O-CB 3.38Å; L534-R538 PolarHBondContact O-N 3.48Å; S535-R538 PolarHBondContact O-N 2.82Å; S535-R538 PolarHBondContact OG-NH2 3.46Å
539	N	89	Confident	87.1	Confident	36 Å²	36	35.5 Å²	35.5	19%	0.193	19%	0.185	C	C	.	.	H	α-helix	trans	-88.1	-21.1	-175.3	-65.3	-11.3	0	0	0	113.3	Y263 H276 P298 S535 E536 L537	Y263-N539 HydrophobicContact CD1-CB 4.04Å; Y263-N539 HydrophobicContact CD2-CB 4.39Å; Y263-N539 HydrophobicContact CG-CB 3.92Å; H276-N539 PolarHBondContact CE1-O 3.18Å; H276-N539 PolarHBondContact ND1-O 3.37Å; P298-N539 VanDerWaalsContact CB-O 3.28Å; P298-N539 WeakPolarHBondContact CB-O 2.97Å; S535-N539 VanDerWaalsContact O-CG 3.28Å; S535-N539 PolarHBondContact O-N 2.81Å; S535-N539 VanDerWaalsContact O-N 3.17Å; S535-N539 PolarHBondContact O-ND2 2.92Å; E536-N539 PolarHBondContact O-N 2.97Å; L537-N539 PolarHBondContact O-N 3.21Å
540	N	89.1	Confident	88	Confident	16 Å²	16	34.2 Å²	34.2	9%	0.086	18%	0.176	C	C	.	.	H	α-helix	trans	-113.4	-15.4	-172.5	-71.5	-72.4	0	0	0	115.1	K260 F261 Y263 E536 L537	K260-N540 CarbonylContact C-O 3.53Å; K260-N540 WeakPolarHBondContact CA-O 3.41Å; F261-N540 PolarHBondContact N-O 2.89Å; Y263-N540 VanDerWaalsContact CB-OD1 3.26Å; Y263-N540 WeakPolarHBondContact CB-OD1 3.47Å; Y263-N540 PolarHBondContact N-OD1 2.97Å; E536-N540 WeakPolarHBondContact O-CB 3.35Å; E536-N540 PolarHBondContact O-N 2.96Å; E536-N540 VanDerWaalsContact O-N 3.08Å; E536-N540 PolarHBondContact O-ND2 3.49Å; E536-N540 PolarHBondContact OE1-ND2 3.39Å; L537-N540 PolarHBondContact O-N 3.41Å
541	F	90.8	Very high	88.9	Confident	8 Å²	8	34.7 Å²	34.7	4%	0.035	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	138.7	-173	-174.9	-108.1	0	0	0	112	Q190 F191 I259 G299 M467 F487 L537 L543	Q190-F541 HydrophobicContact CB-CE2 4.35Å; F191-F541 HydrophobicContact CE1-CE2 4.36Å; F191-F541 HydrophobicContact CE1-CZ 4.04Å; I259-F541 WeakPolarHBondContact O-CA 3.2Å; G299-F541 PolarHBondContact N-O 3.34Å; M467-F541 HydrophobicContact CE-CD1 3.94Å; M467-F541 HydrophobicContact CE-CE1 3.71Å; M467-F541 HydrophobicContact SD-CD1 4.24Å; F487-F541 HydrophobicContact CD1-CE2 4.35Å; F487-F541 HydrophobicContact CE1-CD1 4.42Å; F487-F541 HydrophobicContact CE1-CD2 4.06Å; F487-F541 AromaticContact CE1-CE1 3.9Å; F487-F541 HydrophobicContact CE1-CE1 3.9Å; F487-F541 AromaticContact CE1-CE2 3.51Å; F487-F541 HydrophobicContact CE1-CE2 3.51Å; F487-F541 HydrophobicContact CE1-CG 4.48Å; F487-F541 AromaticContact CE1-CZ 3.41Å; F487-F541 HydrophobicContact CE1-CZ 3.41Å; F487-F541 VanDerWaalsContact CE1-CZ 3.41Å; F487-F541 HydrophobicContact CE2-CE1 4.14Å; F487-F541 HydrophobicContact CE2-CZ 4.4Å; F487-F541 HydrophobicContact CZ-CD1 4.21Å; F487-F541 AromaticContact CZ-CE1 3.48Å; F487-F541 HydrophobicContact CZ-CE1 3.48Å; F487-F541 VanDerWaalsContact CZ-CE1 3.48Å; F487-F541 AromaticContact CZ-CE2 3.96Å; F487-F541 HydrophobicContact CZ-CE2 3.96Å; F487-F541 AromaticContact CZ-CZ 3.34Å; F487-F541 HydrophobicContact CZ-CZ 3.34Å; L537-F541 HydrophobicContact CD2-CB 4.42Å; L537-F541 WeakPolarHBondContact O-CB 3.4Å; L537-F541 PolarHBondContact O-N 2.92Å; F541-L543 HydrophobicContact CE1-CD2 4.08Å; F541-L543 HydrophobicContact CE1-CG 3.91Å; F541-L543 HydrophobicContact CZ-CD2 3.64Å; F541-L543 HydrophobicContact CZ-CG 3.99Å
542	G	91.9	Very high	89.7	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	162.1	167.3	0	0	0	0	0	111.3	I259 Y300	I259-G542 PolarHBondContact N-O 2.93Å; I259-G542 PolarHBondContact O-N 2.87Å; I259-G542 VanDerWaalsContact O-N 3.09Å; Y300-G542 WeakPolarHBondContact O-CA 3.25Å
543	L	93	Very high	90.3	Very high	11 Å²	11	27.6 Å²	27.6	6%	0.058	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	138.4	176.6	-71.7	174.1	0	0	0	110	F191 L207 V256 F257 Y300 I301 H302 M467 F541	F191-L543 HydrophobicContact CE1-CD2 4.35Å; F191-L543 HydrophobicContact CE2-CD2 4.35Å; F191-L543 HydrophobicContact CZ-CD2 3.63Å; L207-L543 HydrophobicContact CD2-CD1 3.82Å; V256-L543 HydrophobicContact CG1-CD2 4.21Å; F257-L543 WeakPolarHBondContact O-CA 3.28Å; Y300-L543 PolarHBondContact O-N 3.01Å; I301-L543 CarbonylContact C-O 3.56Å; I301-L543 WeakPolarHBondContact CA-O 3.45Å; I301-L543 HydrophobicContact CB-CB 4.24Å; I301-L543 HydrophobicContact CD1-CD1 4.1Å; I301-L543 HydrophobicContact CG1-CB 4.13Å; I301-L543 HydrophobicContact CG1-CD1 4Å; I301-L543 HydrophobicContact CG2-CB 3.95Å; H302-L543 PolarHBondContact N-O 3.47Å; H302-L543 PolarHBondContact ND1-O 2.9Å; M467-L543 HydrophobicContact CE-CB 3.99Å; M467-L543 HydrophobicContact CE-CD1 3.54Å; M467-L543 HydrophobicContact CE-CG 3.49Å; M467-L543 VanDerWaalsContact CE-CG 3.49Å; F541-L543 HydrophobicContact CE1-CD2 4.08Å; F541-L543 HydrophobicContact CE1-CG 3.91Å; F541-L543 HydrophobicContact CZ-CD2 3.64Å; F541-L543 HydrophobicContact CZ-CG 3.99Å
544	L	95.5	Very high	91.1	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	120.1	168.4	169.5	65.9	0	0	0	108.5	I115 L117 V256 F257 I259 L280 L296 H302 I304 I546	I115-L544 HydrophobicContact CG2-CD2 4.44Å; L117-L544 HydrophobicContact CD2-CD2 4.24Å; V256-L544 CarbonylContact C-O 3.44Å; V256-L544 WeakPolarHBondContact CA-O 3.31Å; F257-L544 HydrophobicContact CB-CB 4.26Å; F257-L544 HydrophobicContact CD2-CB 4.44Å; F257-L544 HydrophobicContact CD2-CD2 4.1Å; F257-L544 HydrophobicContact CD2-CG 4.17Å; F257-L544 PolarHBondContact N-O 3.47Å; F257-L544 PolarHBondContact O-N 3.46Å; I259-L544 HydrophobicContact CD1-CB 3.56Å; I259-L544 HydrophobicContact CD1-CD2 4.13Å; L280-L544 HydrophobicContact CD1-CD2 3.96Å; L280-L544 HydrophobicContact CD2-CD1 3.72Å; L280-L544 HydrophobicContact CD2-CD2 3.89Å; L280-L544 HydrophobicContact CD2-CG 4.47Å; L296-L544 HydrophobicContact CD1-CB 4.48Å; L296-L544 HydrophobicContact CD1-CD2 4.1Å; L296-L544 HydrophobicContact CD2-CD1 4.2Å; H302-L544 HydrophobicContact CB-CD1 4.1Å; H302-L544 CarbonylContact O-C 3.56Å; H302-L544 WeakPolarHBondContact O-CA 3.21Å; I304-L544 HydrophobicContact CD1-CD1 3.86Å; I304-L544 HydrophobicContact CG1-CD1 4.35Å; L544-I546 HydrophobicContact CD1-CD1 4.47Å; L544-I546 HydrophobicContact CD1-CG1 4.02Å; L544-I546 HydrophobicContact CD2-CD1 4.07Å; L544-I546 HydrophobicContact CD2-CG1 4.35Å; L544-I546 HydrophobicContact CG-CD1 4.27Å; L544-I546 HydrophobicContact CG-CG1 3.99Å
545	T	93.8	Very high	91.7	Very high	18 Å²	18	29.6 Å²	29.6	11%	0.11	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	119.1	175.6	-59.6	0	0	0	0	108.6	L255 V256 H302 H303 I304	L255-T545 CarbonylContact O-C 3.55Å; L255-T545 WeakPolarHBondContact O-CA 3.43Å; V256-T545 HydrophobicContact CG2-CG2 4.09Å; H302-T545 PolarHBondContact O-N 3.04Å; H303-T545 WeakPolarHBondContact CA-O 3.47Å; I304-T545 PolarHBondContact N-O 3.23Å
546	I	95.2	Very high	92.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	120	175.5	-56.3	-176.7	0	0	0	108	W112 I115 K254 L255 F257 I304 L306 L544	W112-I546 HydrophobicContact CZ3-CG2 4.01Å; I115-I546 HydrophobicContact CB-CD1 4.37Å; I115-I546 HydrophobicContact CD1-CD1 3.38Å; I115-I546 HydrophobicContact CG1-CD1 3.71Å; I115-I546 HydrophobicContact CG2-CD1 3.72Å; K254-I546 CarbonylContact C-O 3.57Å; K254-I546 VanDerWaalsContact CA-O 3.31Å; K254-I546 WeakPolarHBondContact CA-O 3.38Å; L255-I546 PolarHBondContact N-O 3.06Å; L255-I546 PolarHBondContact O-N 3.41Å; F257-I546 HydrophobicContact CE2-CD1 4.18Å; F257-I546 HydrophobicContact CE2-CG1 4.48Å; I304-I546 WeakPolarHBondContact O-CA 3.28Å; L306-I546 HydrophobicContact CD1-CG2 3.36Å; L306-I546 HydrophobicContact CG-CG2 3.89Å; L544-I546 HydrophobicContact CD1-CD1 4.47Å; L544-I546 HydrophobicContact CD1-CG1 4.02Å; L544-I546 HydrophobicContact CD2-CD1 4.07Å; L544-I546 HydrophobicContact CD2-CG1 4.35Å; L544-I546 HydrophobicContact CG-CD1 4.27Å; L544-I546 HydrophobicContact CG-CG1 3.99Å
547	E	92.8	Very high	92.8	Very high	25 Å²	25	31.8 Å²	31.8	12%	0.117	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	136.3	-176.5	171.1	178.3	150.9	0	0	109.6	K254 H303 I304 K305 L306	K254-E547 HydrophobicContact CD-CB 4.34Å; K254-E547 HydrophobicContact CD-CG 4.24Å; K254-E547 VanDerWaalsContact CE-OE2 3.3Å; K254-E547 WeakPolarHBondContact CE-OE2 3.33Å; K254-E547 HydrophobicContact CG-CB 3.92Å; K254-E547 HydrophobicContact CG-CG 3.87Å; K254-E547 IonicContact NZ-OE2 2.68Å; H303-E547 IonicContact CE1-OE2 3.53Å; H303-E547 PolarHBondContact CE1-OE2 3.39Å; H303-E547 VanDerWaalsContact CE1-OE2 3.24Å; H303-E547 IonicContact NE2-OE2 3.52Å; H303-E547 PolarHBondContact NE2-OE2 3.32Å; I304-E547 PolarHBondContact O-N 2.92Å; K305-E547 CarbonylContact C-O 3.54Å; K305-E547 WeakPolarHBondContact CA-O 3.39Å; K305-E547 WeakPolarHBondContact CE-OE1 3.45Å; K305-E547 HydrophobicContact CG-CB 4.4Å; K305-E547 HydrophobicContact CG-CG 4.48Å; K305-E547 IonicContact NZ-OE1 3.32Å; K305-E547 PolarHBondContact NZ-OE1 3.26Å; K305-E547 IonicContact NZ-OE2 3.79Å; L306-E547 PolarHBondContact N-O 2.82Å
548	R	93.3	Very high	93.2	Very high	32 Å²	32	34.1 Å²	34.1	12%	0.121	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	136.1	169.3	62.7	175.2	177.7	72.1	-3.2	110.1	F110 W112 I252 E253	F110-R548 HydrophobicContact CD1-CB 3.97Å; F110-R548 HydrophobicContact CD2-CB 4Å; F110-R548 HydrophobicContact CE1-CB 3.79Å; F110-R548 HydrophobicContact CE2-CB 3.83Å; F110-R548 HydrophobicContact CG-CB 4.08Å; F110-R548 HydrophobicContact CZ-CB 3.72Å; W112-R548 HydrophobicContact CZ2-CG 4.34Å; I252-R548 PolarHBondContact O-NE 2.89Å; E253-R548 PolarHBondContact O-N 3.42Å
549	N	92.3	Very high	93.1	Very high	74 Å²	74	33.9 Å²	33.9	40%	0.396	17%	0.165	S	C	.	.	S	Bend	trans	-71.9	-34.9	178.6	-172.4	57.1	0	0	0	112.2	L306 E307 L460	L306-N549 WeakPolarHBondContact O-CB 3.49Å; L306-N549 PolarHBondContact O-N 2.87Å; E307-N549 HydrophobicContact CB-CB 4.3Å; L460-N549 HydrophobicContact CD1-CB 4.36Å
550	S	92.5	Very high	92.9	Very high	30 Å²	30	35 Å²	35	21%	0.21	17%	0.169	C	C	.	.			trans	-140.6	151.4	-180	176.1	0	0	0	0	110.4	H552	S550-H552 VanDerWaalsContact CB-O 3.29Å; S550-H552 WeakPolarHBondContact CB-O 3.32Å; S550-H552 PolarHBondContact O-N 3.42Å; S550-H552 PolarHBondContact OG-N 2.99Å; S550-H552 PolarHBondContact OG-O 2.97Å; S550-H552 VanDerWaalsContact OG-O 3.09Å
551	P	92.5	Very high	92.8	Very high	64 Å²	64	39.2 Å²	39.2	42%	0.416	19%	0.188	S	C	.	.	S	Bend	trans	-65.9	-15.8	170.8	25.4	-34.2	0	0	0	113.7	F110	F110-P551 VanDerWaalsContact CB-O 3.29Å; F110-P551 WeakPolarHBondContact CB-O 3.46Å; F110-P551 PolarHBondContact N-O 3.2Å
552	H	94.3	Very high	92.7	Very high	75 Å²	75	39.7 Å²	39.7	35%	0.347	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	149.4	179.8	-58.4	96.5	0	0	0	110.7	D106 E108 S550	D106-H552 HydrophobicContact CB-CB 4.17Å; D106-H552 IonicContact OD1-CG 2.8Å; D106-H552 IonicContact OD1-ND1 2.69Å; E108-H552 CarbonylContact O-C 3.18Å; E108-H552 WeakPolarHBondContact O-CA 3.37Å; E108-H552 VanDerWaalsContact O-CB 3.3Å; E108-H552 WeakPolarHBondContact O-CB 3.3Å; S550-H552 VanDerWaalsContact CB-O 3.29Å; S550-H552 WeakPolarHBondContact CB-O 3.32Å; S550-H552 PolarHBondContact O-N 3.42Å; S550-H552 PolarHBondContact OG-N 2.99Å; S550-H552 PolarHBondContact OG-O 2.97Å; S550-H552 VanDerWaalsContact OG-O 3.09Å
553	G	94.4	Very high	92.5	Very high	2 Å²	2	42 Å²	42	2%	0.021	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	158.3	169.3	0	0	0	0	0	112.3	Y107 E108 M308	Y107-G553 PolarHBondContact N-O 3.24Å; E108-G553 PolarHBondContact O-N 2.95Å; M308-G553 CarbonylContact O-C 3.48Å; M308-G553 VanDerWaalsContact O-CA 3.23Å; M308-G553 WeakPolarHBondContact O-CA 3.39Å
554	R	96	Very high	92.3	Very high	68 Å²	68	45.4 Å²	45.4	26%	0.257	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	136.8	172.7	176.5	-169.7	-63.3	132.6	11.6	109.5	I104 N105 E307 M308 L309 R310	I104-R554 WeakPolarHBondContact O-CA 3.45Å; I104-R554 WeakPolarHBondContact O-CG 3.19Å; N105-R554 PolarHBondContact OD1-NE 2.88Å; E307-R554 VanDerWaalsContact CD-NH1 3.29Å; E307-R554 IonicContact OE1-CZ 3.6Å; E307-R554 IonicContact OE1-NH1 3.63Å; E307-R554 PolarHBondContact OE1-NH1 3.06Å; E307-R554 IonicContact OE1-NH2 3.95Å; E307-R554 PolarHBondContact OE1-NH2 3.14Å; E307-R554 IonicContact OE2-CZ 3.22Å; E307-R554 IonicContact OE2-NH1 3.89Å; E307-R554 PolarHBondContact OE2-NH1 3.07Å; E307-R554 VanDerWaalsContact OE2-NH1 3.11Å; M308-R554 PolarHBondContact O-N 2.83Å; L309-R554 WeakPolarHBondContact CA-O 3.06Å; L309-R554 HydrophobicContact CD2-CB 3.73Å; L309-R554 HydrophobicContact CD2-CG 4.27Å; R310-R554 PolarHBondContact N-O 3.48Å
555	L	97.1	Very high	92.1	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.021	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	128.3	171.8	168.1	66.5	0	0	0	110	Y103 I104 Y107 R310 K312 R557	Y103-L555 WeakPolarHBondContact CA-O 3.46Å; I104-L555 HydrophobicContact CB-CB 4.19Å; I104-L555 HydrophobicContact CD1-CD2 3.85Å; I104-L555 HydrophobicContact CD1-CG 4.45Å; I104-L555 PolarHBondContact N-O 3.28Å; I104-L555 PolarHBondContact O-N 3.14Å; Y107-L555 HydrophobicContact CD1-CB 3.73Å; Y107-L555 HydrophobicContact CD1-CD2 4.17Å; Y107-L555 HydrophobicContact CD1-CG 4.42Å; Y107-L555 HydrophobicContact CD2-CB 4Å; Y107-L555 HydrophobicContact CD2-CD2 3.63Å; Y107-L555 HydrophobicContact CD2-CG 4.46Å; Y107-L555 HydrophobicContact CE1-CB 4.34Å; Y107-L555 HydrophobicContact CE1-CD2 4.02Å; Y107-L555 HydrophobicContact CE2-CD2 3.49Å; Y107-L555 VanDerWaalsContact CE2-CD2 3.49Å; Y107-L555 HydrophobicContact CG-CB 3.52Å; Y107-L555 HydrophobicContact CG-CD2 3.98Å; Y107-L555 HydrophobicContact CG-CG 4.35Å; R310-L555 HydrophobicContact CB-CD1 4.39Å; R310-L555 HydrophobicContact CG-CD1 4.29Å; R310-L555 CarbonylContact O-C 3.51Å; R310-L555 WeakPolarHBondContact O-CA 3.2Å; R310-L555 WeakPolarHBondContact O-CD1 3.4Å; K312-L555 HydrophobicContact CB-CD1 4.16Å; K312-L555 HydrophobicContact CD-CD1 3.88Å; K312-L555 HydrophobicContact CG-CD1 3.78Å; L555-R557 HydrophobicContact CD1-CB 4.45Å; L555-R557 HydrophobicContact CD2-CB 4.39Å; L555-R557 HydrophobicContact CG-CB 4.22Å
556	I	96	Very high	91.9	Very high	16 Å²	16	52 Å²	52	8%	0.082	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	109.7	168.3	-56.2	177.4	0	0	0	106.1	T101 T102 Y103 L309 R310 I311 K312	T101-I556 HydrophobicContact CG2-CG2 3.47Å; T101-I556 VanDerWaalsContact CG2-CG2 3.47Å; T102-I556 WeakPolarHBondContact O-CA 3.27Å; Y103-I556 HydrophobicContact CD1-CD1 4.36Å; Y103-I556 HydrophobicContact CD1-CG1 3.81Å; Y103-I556 HydrophobicContact CE1-CD1 3.92Å; Y103-I556 HydrophobicContact CE1-CG1 3.81Å; Y103-I556 HydrophobicContact CE1-CG2 4.21Å; L309-I556 HydrophobicContact CD1-CD1 4.37Å; R310-I556 PolarHBondContact O-N 2.77Å; I311-I556 CarbonylContact C-O 3.58Å; I311-I556 VanDerWaalsContact CA-O 3.31Å; I311-I556 WeakPolarHBondContact CA-O 3.48Å; I311-I556 HydrophobicContact CG1-CB 3.86Å; I311-I556 HydrophobicContact CG1-CD1 4.04Å; I311-I556 HydrophobicContact CG1-CG1 4.4Å; I311-I556 HydrophobicContact CG1-CG2 4.28Å; K312-I556 PolarHBondContact N-O 2.78Å
557	R	95.2	Very high	91.7	Very high	113 Å²	113	52.9 Å²	52.9	43%	0.426	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	119.2	-177.4	178.5	-178.9	177.9	175.7	-4.2	109.5	T102 L555 E559	T102-R557 PolarHBondContact N-O 3.4Å; T102-R557 PolarHBondContact O-N 3.26Å; T102-R557 PolarHBondContact OG1-O 3.47Å; L555-R557 HydrophobicContact CD1-CB 4.45Å; L555-R557 HydrophobicContact CD2-CB 4.39Å; L555-R557 HydrophobicContact CG-CB 4.22Å; R557-E559 HydrophobicContact CG-CG 3.98Å; R557-E559 IonicContact CZ-OE1 2.66Å; R557-E559 IonicContact NE-OE1 3.83Å; R557-E559 PolarHBondContact NE-OE1 3.09Å; R557-E559 IonicContact NH1-OE1 3.89Å; R557-E559 IonicContact NH2-OE1 2.75Å; R557-E559 PolarHBondContact NH2-OE1 2.96Å
558	E	93.1	Very high	91.7	Very high	50 Å²	50	56.9 Å²	56.9	23%	0.234	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	129.6	172.7	-66.8	172.3	-179.1	0	0	109.2	I99 L100 K312 R313 I314	I99-E558 HydrophobicContact CG2-CB 3.76Å; I99-E558 HydrophobicContact CG2-CG 4.08Å; L100-E558 CarbonylContact O-C 3.56Å; L100-E558 WeakPolarHBondContact O-CA 3.49Å; K312-E558 PolarHBondContact O-N 3.47Å; R313-E558 WeakPolarHBondContact CB-OE2 3.47Å; R313-E558 WeakPolarHBondContact CG-OE2 3.45Å; I314-E558 VanDerWaalsContact CG2-O 3.27Å; I314-E558 WeakPolarHBondContact CG2-O 3.39Å
559	E	87.8	Confident	91.6	Very high	69 Å²	69	58.8 Å²	58.8	32%	0.322	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	166.6	175.8	-55.1	-159.5	128.4	0	0	110.4	I99 L100 R557 E561	I99-E559 CarbonylContact C-O 3.52Å; I99-E559 WeakPolarHBondContact CA-O 3.44Å; L100-E559 PolarHBondContact N-O 2.79Å; L100-E559 PolarHBondContact O-N 3.5Å; R557-E559 HydrophobicContact CG-CG 3.98Å; R557-E559 IonicContact CZ-OE1 2.66Å; R557-E559 IonicContact NE-OE1 3.83Å; R557-E559 PolarHBondContact NE-OE1 3.09Å; R557-E559 IonicContact NH1-OE1 3.89Å; R557-E559 IonicContact NH2-OE1 2.75Å; R557-E559 PolarHBondContact NH2-OE1 2.96Å; E559-E561 PolarHBondContact O-N 2.85Å
560	Q	84.9	Confident	91.6	Very high	60 Å²	60	57.4 Å²	57.4	28%	0.28	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	123.1	170	-177.8	175.4	8.5	0	0	109.3	Y562	Q560-Y562 VanDerWaalsContact CD-O 3.31Å; Q560-Y562 WeakPolarHBondContact CG-O 3.32Å; Q560-Y562 PolarHBondContact NE2-O 3.32Å
561	E	87.4	Confident	91.6	Very high	104 Å²	104	57.6 Å²	57.6	49%	0.486	30%	0.3	S	S	.	.	S	Bend	trans	-66.9	-44.2	176.1	-176.1	178.6	173.2	0	0	110.7	P98 L100 E559	P98-E561 HydrophobicContact CB-CB 4.01Å; P98-E561 WeakPolarHBondContact CB-OE2 3.39Å; P98-E561 HydrophobicContact CG-CB 4.1Å; P98-E561 PolarHBondContact O-N 3.42Å; L100-E561 HydrophobicContact CB-CB 3.89Å; L100-E561 HydrophobicContact CB-CG 4.33Å; E559-E561 PolarHBondContact O-N 2.85Å
562	Y	88.3	Confident	91.5	Very high	17 Å²	17	56.4 Å²	56.4	7%	0.067	30%	0.3	C	S	.	.	S	Bend	trans	-116.9	91.4	-171.6	-162.7	-107.3	0	0	0	112.1	I90 H93 Y94 Q560 Q566 L567 D570	I90-Y562 HydrophobicContact CG2-CE1 4.34Å; I90-Y562 WeakPolarHBondContact CG2-OH 3.47Å; H93-Y562 AromaticContact CD2-CD2 3.88Å; H93-Y562 AromaticContact CD2-CG 3.73Å; Y94-Y562 AromaticContact CD2-CD1 3.66Å; Y94-Y562 HydrophobicContact CD2-CD1 3.66Å; Y94-Y562 AromaticContact CD2-CE1 3.99Å; Y94-Y562 HydrophobicContact CD2-CE1 3.99Å; Y94-Y562 HydrophobicContact CG-CD1 4.3Å; Q560-Y562 VanDerWaalsContact CD-O 3.31Å; Q560-Y562 WeakPolarHBondContact CG-O 3.32Å; Q560-Y562 PolarHBondContact NE2-O 3.32Å; Y562-Q566 HydrophobicContact CD2-CB 4.2Å; Y562-Q566 HydrophobicContact CD2-CG 3.77Å; Y562-Q566 HydrophobicContact CE2-CB 4.01Å; Y562-Q566 HydrophobicContact CE2-CG 3.36Å; Y562-L567 HydrophobicContact CE1-CB 3.81Å; Y562-L567 HydrophobicContact CE1-CD1 3.99Å; Y562-L567 WeakPolarHBondContact OH-CA 3.32Å; Y562-D570 VanDerWaalsContact CE2-OD2 3.22Å; Y562-D570 WeakPolarHBondContact CE2-OD2 3.35Å; Y562-D570 VanDerWaalsContact CZ-OD2 3.31Å; Y562-D570 WeakPolarHBondContact OH-CB 3.42Å; Y562-D570 VanDerWaalsContact OH-CG 3.32Å; Y562-D570 PolarHBondContact OH-OD2 3.37Å
563	S	87.2	Confident	91.3	Very high	49 Å²	49	54.9 Å²	54.9	34%	0.343	31%	0.305	S	S	.	.			trans	-74.1	162.1	-175.5	73.8	0	0	0	0	113.8	A565 Q566 L567	S563-A565 PolarHBondContact O-N 2.9Å; S563-Q566 PolarHBondContact O-N 2.94Å; S563-Q566 VanDerWaalsContact O-N 3.07Å; S563-Q566 PolarHBondContact OG-N 2.9Å; S563-L567 PolarHBondContact O-N 3.44Å
564	L	89.3	Confident	91.2	Very high	83 Å²	83	56.3 Å²	56.3	44%	0.435	31%	0.312	S	S	.	.	H	α-helix	trans	-57.4	-35.3	173	177.6	62.2	0	0	0	112.3	Q566 L567 L568	L564-Q566 VanDerWaalsContact C-N 3.34Å; L564-L567 HydrophobicContact CD1-CD2 4.13Å; L564-L567 PolarHBondContact O-N 3.49Å; L564-L568 HydrophobicContact CD1-CD1 4.41Å; L564-L568 HydrophobicContact CD1-CG 4.34Å; L564-L568 HydrophobicContact CG-CD1 4.28Å; L564-L568 WeakPolarHBondContact O-CG 3.36Å; L564-L568 PolarHBondContact O-N 3.24Å
565	A	90.1	Very high	90.8	Very high	72 Å²	72	56.2 Å²	56.2	60%	0.595	32%	0.315	S	S	*	.	H	α-helix	trans	-64.8	-40.4	176.6	0	0	0	0	0	111.6	S563 L568 S569	S563-A565 PolarHBondContact O-N 2.9Å; A565-L568 PolarHBondContact O-N 2.69Å; A565-S569 WeakPolarHBondContact O-CB 3.23Å; A565-S569 PolarHBondContact O-N 3.26Å
566	Q	90.6	Very high	90.3	Very high	85 Å²	85	57.5 Å²	57.5	40%	0.397	33%	0.33	S	S	.	.	H	α-helix	trans	-67.7	-41.2	176	-167.8	63.7	28.9	0	0	111.6	Y562 S563 L564 L568 S569 D570	Y562-Q566 HydrophobicContact CD2-CB 4.2Å; Y562-Q566 HydrophobicContact CD2-CG 3.77Å; Y562-Q566 HydrophobicContact CE2-CB 4.01Å; Y562-Q566 HydrophobicContact CE2-CG 3.36Å; S563-Q566 PolarHBondContact O-N 2.94Å; S563-Q566 VanDerWaalsContact O-N 3.07Å; S563-Q566 PolarHBondContact OG-N 2.9Å; L564-Q566 VanDerWaalsContact C-N 3.34Å; Q566-L568 PolarHBondContact O-N 3.3Å; Q566-S569 WeakPolarHBondContact O-CB 3.29Å; Q566-S569 PolarHBondContact O-N 3Å; Q566-D570 PolarHBondContact NE2-OD1 3.41Å; Q566-D570 PolarHBondContact O-N 2.91Å
567	L	91.6	Very high	89.9	Confident	18 Å²	18	63 Å²	63	9%	0.094	36%	0.359	C	S	.	.	H	α-helix	trans	-54.4	-51.5	173.2	175.9	67.3	0	0	0	111.7	I90 Y94 Y562 S563 L564 S569 D570 I571	I90-L567 HydrophobicContact CG2-CD1 3.41Å; I90-L567 VanDerWaalsContact CG2-CD1 3.41Å; Y94-L567 HydrophobicContact CD1-CD2 3.95Å; Y94-L567 HydrophobicContact CD2-CB 3.87Å; Y94-L567 HydrophobicContact CD2-CD1 4.35Å; Y94-L567 HydrophobicContact CD2-CD2 3.75Å; Y94-L567 HydrophobicContact CD2-CG 4.19Å; Y94-L567 HydrophobicContact CE1-CD2 3.98Å; Y94-L567 HydrophobicContact CE2-CB 4.08Å; Y94-L567 HydrophobicContact CE2-CD2 3.82Å; Y94-L567 HydrophobicContact CG-CD1 4.25Å; Y94-L567 HydrophobicContact CG-CD2 3.81Å; Y94-L567 HydrophobicContact CG-CG 4.43Å; Y562-L567 HydrophobicContact CE1-CB 3.81Å; Y562-L567 HydrophobicContact CE1-CD1 3.99Å; Y562-L567 WeakPolarHBondContact OH-CA 3.32Å; S563-L567 PolarHBondContact O-N 3.44Å; L564-L567 HydrophobicContact CD1-CD2 4.13Å; L564-L567 PolarHBondContact O-N 3.49Å; L567-S569 VanDerWaalsContact C-N 3.31Å; L567-S569 PolarHBondContact O-N 3.36Å; L567-D570 PolarHBondContact O-N 3.29Å; L567-I571 HydrophobicContact CD1-CD1 3.78Å; L567-I571 HydrophobicContact CD1-CG1 4.17Å; L567-I571 HydrophobicContact CD2-CD1 4.47Å; L567-I571 HydrophobicContact CG-CD1 3.82Å; L567-I571 HydrophobicContact CG-CG1 4.5Å; L567-I571 WeakPolarHBondContact O-CB 3.37Å; L567-I571 VanDerWaalsContact O-CG1 3.26Å; L567-I571 WeakPolarHBondContact O-CG1 3.36Å; L567-I571 PolarHBondContact O-N 3.11Å
568	L	91.6	Very high	89.5	Confident	110 Å²	110	61.6 Å²	61.6	58%	0.576	35%	0.353	S	S	*	.	H	α-helix	trans	-65.2	-36.5	180	-69.1	173	0	0	0	111.9	L564 A565 Q566 G572	L564-L568 HydrophobicContact CD1-CD1 4.41Å; L564-L568 HydrophobicContact CD1-CG 4.34Å; L564-L568 HydrophobicContact CG-CD1 4.28Å; L564-L568 WeakPolarHBondContact O-CG 3.36Å; L564-L568 PolarHBondContact O-N 3.24Å; A565-L568 PolarHBondContact O-N 2.69Å; Q566-L568 PolarHBondContact O-N 3.3Å; L568-G572 PolarHBondContact O-N 3.25Å
569	S	91.3	Very high	89	Confident	71 Å²	71	60.2 Å²	60.2	50%	0.497	35%	0.348	S	S	.	.	H	α-helix	trans	-61.4	-47.6	174	-179	0	0	0	0	111.7	A565 Q566 L567 G572 G573	A565-S569 WeakPolarHBondContact O-CB 3.23Å; A565-S569 PolarHBondContact O-N 3.26Å; Q566-S569 WeakPolarHBondContact O-CB 3.29Å; Q566-S569 PolarHBondContact O-N 3Å; L567-S569 VanDerWaalsContact C-N 3.31Å; L567-S569 PolarHBondContact O-N 3.36Å; S569-G572 PolarHBondContact O-N 3.33Å; S569-G573 PolarHBondContact O-N 3.5Å
570	D	93.2	Very high	88.7	Confident	46 Å²	46	57.3 Å²	57.3	25%	0.246	34%	0.336	C	S	.	.	H	α-helix	trans	-74.5	-36	-176.8	-65.3	-14	0	0	0	112.2	I90 Y562 Q566 L567 G573 N574	I90-D570 HydrophobicContact CD1-CB 4.04Å; Y562-D570 VanDerWaalsContact CE2-OD2 3.22Å; Y562-D570 WeakPolarHBondContact CE2-OD2 3.35Å; Y562-D570 VanDerWaalsContact CZ-OD2 3.31Å; Y562-D570 WeakPolarHBondContact OH-CB 3.42Å; Y562-D570 VanDerWaalsContact OH-CG 3.32Å; Y562-D570 PolarHBondContact OH-OD2 3.37Å; Q566-D570 PolarHBondContact NE2-OD1 3.41Å; Q566-D570 PolarHBondContact O-N 2.91Å; L567-D570 PolarHBondContact O-N 3.29Å; D570-G573 PolarHBondContact O-N 2.99Å; D570-N574 VanDerWaalsContact O-CB 3.3Å; D570-N574 WeakPolarHBondContact O-CB 3.21Å; D570-N574 PolarHBondContact O-N 3.47Å; D570-N574 PolarHBondContact O-ND2 2.89Å
571	I	92.5	Very high	88.4	Confident	33 Å²	33	56.6 Å²	56.6	17%	0.169	33%	0.334	C	S	.	.	H	α-helix	trans	-59.8	-49.4	170.3	-69.9	171.9	0	0	0	109.6	L87 L567 G573 N574 M575	L87-I571 HydrophobicContact CD1-CD1 4.28Å; L87-I571 HydrophobicContact CD1-CG1 3.89Å; L567-I571 HydrophobicContact CD1-CD1 3.78Å; L567-I571 HydrophobicContact CD1-CG1 4.17Å; L567-I571 HydrophobicContact CD2-CD1 4.47Å; L567-I571 HydrophobicContact CG-CD1 3.82Å; L567-I571 HydrophobicContact CG-CG1 4.5Å; L567-I571 WeakPolarHBondContact O-CB 3.37Å; L567-I571 VanDerWaalsContact O-CG1 3.26Å; L567-I571 WeakPolarHBondContact O-CG1 3.36Å; L567-I571 PolarHBondContact O-N 3.11Å; I571-G573 PolarHBondContact O-N 3.28Å; I571-N574 PolarHBondContact O-N 3.28Å; I571-M575 HydrophobicContact CG2-CE 3.66Å; I571-M575 HydrophobicContact CG2-CG 4.3Å; I571-M575 HydrophobicContact CG2-SD 3.98Å; I571-M575 WeakPolarHBondContact O-CB 3.2Å; I571-M575 VanDerWaalsContact O-CG 3.28Å; I571-M575 WeakPolarHBondContact O-CG 3.27Å; I571-M575 PolarHBondContact O-N 2.9Å
572	G	89.9	Confident	88	Confident	39 Å²	39	53.9 Å²	53.9	40%	0.402	33%	0.326	S	S	.	.	H	α-helix	trans	-61.2	-44	178.5	0	0	0	0	0	112.5	L568 S569 M575 G576	L568-G572 PolarHBondContact O-N 3.25Å; S569-G572 PolarHBondContact O-N 3.33Å; G572-M575 PolarHBondContact O-N 3.27Å; G572-G576 PolarHBondContact O-N 3.12Å
573	G	90.3	Very high	87.4	Confident	44 Å²	44	58.2 Å²	58.2	45%	0.454	35%	0.354	S	S	.	.	H	α-helix	trans	-60.5	-44.8	175.5	0	0	0	0	0	112.7	S569 D570 I571 G576 L577	S569-G573 PolarHBondContact O-N 3.5Å; D570-G573 PolarHBondContact O-N 2.99Å; I571-G573 PolarHBondContact O-N 3.28Å; G573-G576 PolarHBondContact O-N 2.92Å; G573-L577 WeakPolarHBondContact O-CB 3.12Å; G573-L577 PolarHBondContact O-N 3.45Å
574	N	90.9	Very high	86.9	Confident	31 Å²	31	61.3 Å²	61.3	17%	0.166	37%	0.366	C	S	.	.	H	α-helix	trans	-71.6	-36.1	178.3	-79.1	-29.1	0	0	0	113.4	F83 I90 D570 I571 G576 L577 W578	F83-N574 HydrophobicContact CD2-CB 4.16Å; F83-N574 HydrophobicContact CE2-CB 4.18Å; I90-N574 WeakPolarHBondContact CD1-ND2 3.29Å; D570-N574 VanDerWaalsContact O-CB 3.3Å; D570-N574 WeakPolarHBondContact O-CB 3.21Å; D570-N574 PolarHBondContact O-N 3.47Å; D570-N574 PolarHBondContact O-ND2 2.89Å; I571-N574 PolarHBondContact O-N 3.28Å; N574-G576 VanDerWaalsContact C-N 3.31Å; N574-L577 PolarHBondContact O-N 2.79Å; N574-W578 WeakPolarHBondContact O-CB 3.4Å; N574-W578 PolarHBondContact O-N 3.27Å
575	M	87.7	Confident	86.1	Confident	66 Å²	66	58 Å²	58	33%	0.325	35%	0.351	S	S	.	.	I	π-helix	trans	-61	-43.1	171.6	-77.9	-177.3	175.6	0	0	110.9	F83 I571 G572 I579 G580 I581	F83-M575 HydrophobicContact CE2-CB 4.33Å; F83-M575 HydrophobicContact CE2-CG 3.52Å; F83-M575 HydrophobicContact CZ-CE 3.95Å; F83-M575 HydrophobicContact CZ-CG 3.64Å; I571-M575 HydrophobicContact CG2-CE 3.66Å; I571-M575 HydrophobicContact CG2-CG 4.3Å; I571-M575 HydrophobicContact CG2-SD 3.98Å; I571-M575 WeakPolarHBondContact O-CB 3.2Å; I571-M575 VanDerWaalsContact O-CG 3.28Å; I571-M575 WeakPolarHBondContact O-CG 3.27Å; I571-M575 PolarHBondContact O-N 2.9Å; G572-M575 PolarHBondContact O-N 3.27Å; M575-I579 WeakPolarHBondContact O-CB 3.31Å; M575-I579 PolarHBondContact O-N 3.01Å; M575-I579 VanDerWaalsContact O-N 3.14Å; M575-G580 PolarHBondContact O-N 3.4Å; M575-G580 VanDerWaalsContact O-N 3.14Å; M575-I581 HydrophobicContact CB-CB 4.38Å; M575-I581 PolarHBondContact O-N 3Å
576	G	87.4	Confident	85.5	Confident	32 Å²	32	58.7 Å²	58.7	33%	0.33	35%	0.345	S	S	.	.	I	π-helix	trans	-64.8	-46.1	174.9	0	0	0	0	0	113	G572 G573 N574 G580 I581	G572-G576 PolarHBondContact O-N 3.12Å; G573-G576 PolarHBondContact O-N 2.92Å; N574-G576 VanDerWaalsContact C-N 3.31Å; G576-G580 VanDerWaalsContact O-CA 3.23Å; G576-G580 WeakPolarHBondContact O-CA 3.31Å; G576-G580 PolarHBondContact O-N 3.33Å; G576-G580 VanDerWaalsContact O-N 3.07Å; G576-I581 WeakPolarHBondContact CA-O 3.44Å; G576-I581 PolarHBondContact N-O 2.83Å
577	L	86.9	Confident	85.1	Confident	132 Å²	132	61.2 Å²	61.2	69%	0.691	35%	0.354	S	S	*	.	I	π-helix	trans	-68.2	-51.1	-176.7	179.6	65.3	0	0	0	113.3	G573 N574	G573-L577 WeakPolarHBondContact O-CB 3.12Å; G573-L577 PolarHBondContact O-N 3.45Å; N574-L577 PolarHBondContact O-N 2.79Å
578	W	86.7	Confident	84.4	Confident	82 Å²	82	63.2 Å²	63.2	31%	0.311	36%	0.363	S	S	.	.	I	π-helix	trans	-82.5	-42.5	-173.5	-74.5	103.9	0	0	0	112.5	S79 F83 N86 N574	S79-W578 WeakPolarHBondContact CB-O 3.48Å; S79-W578 PolarHBondContact OG-O 3.49Å; F83-W578 HydrophobicContact CB-CB 3.72Å; F83-W578 HydrophobicContact CB-CG 3.91Å; F83-W578 HydrophobicContact CD2-CB 4.43Å; F83-W578 HydrophobicContact CG-CB 4.5Å; N86-W578 VanDerWaalsContact ND2-CZ2 3.32Å; N86-W578 WeakPolarHBondContact ND2-CZ2 3.5Å; N86-W578 PolarHBondContact ND2-NE1 3.06Å; N574-W578 WeakPolarHBondContact O-CB 3.4Å; N574-W578 PolarHBondContact O-N 3.27Å
579	I	83	Confident	83.7	Confident	22 Å²	22	63.3 Å²	63.3	11%	0.113	36%	0.359	C	S	.	.	I	π-helix	trans	-107	-20.2	-169.4	-49.2	177.2	0	0	0	111.5	I54 H55 F83 M575 I581	I54-I579 CarbonylContact C-O 3.59Å; I54-I579 VanDerWaalsContact CA-O 3.29Å; I54-I579 WeakPolarHBondContact CA-O 3.46Å; I54-I579 HydrophobicContact CG1-CG2 4.35Å; I54-I579 HydrophobicContact CG2-CG2 3.81Å; H55-I579 PolarHBondContact N-O 3.06Å; F83-I579 HydrophobicContact CB-CD1 4.2Å; F83-I579 HydrophobicContact CB-CG1 4.29Å; F83-I579 HydrophobicContact CD1-CD1 3.67Å; F83-I579 HydrophobicContact CD2-CD1 4.23Å; F83-I579 HydrophobicContact CE1-CD1 4.06Å; F83-I579 HydrophobicContact CG-CD1 3.75Å; F83-I579 HydrophobicContact CG-CG1 4.25Å; M575-I579 WeakPolarHBondContact O-CB 3.31Å; M575-I579 PolarHBondContact O-N 3.01Å; M575-I579 VanDerWaalsContact O-N 3.14Å; I579-I581 VanDerWaalsContact C-N 3.25Å; I579-I581 HydrophobicContact CB-CD1 4.08Å; I579-I581 HydrophobicContact CB-CG1 4.1Å; I579-I581 HydrophobicContact CD1-CD1 4.33Å; I579-I581 HydrophobicContact CG2-CD1 3.55Å; I579-I581 HydrophobicContact CG2-CG1 3.68Å
580	G	81.5	Confident	83.3	Confident	8 Å²	8	63.8 Å²	63.8	8%	0.082	36%	0.355	C	S	.	.			trans	76.2	13.5	-172.3	0	0	0	0	0	113.6	T53 H55 M575 G576 S582	T53-G580 CarbonylContact C-O 3.56Å; T53-G580 CarbonylContact O-C 3.52Å; T53-G580 PolarHBondContact OG1-O 2.88Å; H55-G580 WeakPolarHBondContact CD2-CA 3.49Å; M575-G580 PolarHBondContact O-N 3.4Å; M575-G580 VanDerWaalsContact O-N 3.14Å; G576-G580 VanDerWaalsContact O-CA 3.23Å; G576-G580 WeakPolarHBondContact O-CA 3.31Å; G576-G580 PolarHBondContact O-N 3.33Å; G576-G580 VanDerWaalsContact O-N 3.07Å; G580-S582 PolarHBondContact O-N 2.92Å
581	I	79.1	Confident	82.8	Confident	45 Å²	45	67 Å²	67	23%	0.231	37%	0.369	C	S	.	.			trans	-73.6	119.2	176.6	-68.1	170.1	0	0	0	107.8	I54 M575 G576 I579	I54-I581 HydrophobicContact CD1-CG1 4.48Å; I54-I581 HydrophobicContact CG1-CD1 4.46Å; I54-I581 HydrophobicContact CG1-CG1 3.87Å; M575-I581 HydrophobicContact CB-CB 4.38Å; M575-I581 PolarHBondContact O-N 3Å; G576-I581 WeakPolarHBondContact CA-O 3.44Å; G576-I581 PolarHBondContact N-O 2.83Å; I579-I581 VanDerWaalsContact C-N 3.25Å; I579-I581 HydrophobicContact CB-CD1 4.08Å; I579-I581 HydrophobicContact CB-CG1 4.1Å; I579-I581 HydrophobicContact CD1-CD1 4.33Å; I579-I581 HydrophobicContact CG2-CD1 3.55Å; I579-I581 HydrophobicContact CG2-CG1 3.68Å
582	S	78.6	Confident	82.1	Confident	46 Å²	46	67 Å²	67	32%	0.322	37%	0.369	S	S	.	.			trans	-95.2	167.6	171.1	66.8	0	0	0	0	110.3	G580 I584 G585 L586	G580-S582 PolarHBondContact O-N 2.92Å; S582-I584 PolarHBondContact O-N 3.24Å; S582-I584 PolarHBondContact OG-N 2.82Å; S582-G585 WeakPolarHBondContact O-CA 3.11Å; S582-G585 PolarHBondContact O-N 3.05Å; S582-G585 PolarHBondContact OG-N 3.09Å; S582-G585 VanDerWaalsContact OG-N 3.1Å; S582-L586 PolarHBondContact O-N 3.08Å; S582-L586 VanDerWaalsContact O-N 3.07Å
583	V	76.1	Confident	81.7	Confident	109 Å²	109	68.4 Å²	68.4	66%	0.661	37%	0.367	S	S	*	.	H	α-helix	trans	-55.3	-34.3	169.4	174.7	0	0	0	0	111.2	L586 F587	V583-L586 WeakPolarHBondContact O-CB 3.27Å; V583-L586 PolarHBondContact O-N 2.96Å; V583-F587 HydrophobicContact CG1-CD2 4.29Å; V583-F587 HydrophobicContact CG1-CE2 3.88Å; V583-F587 WeakPolarHBondContact O-CD2 3.41Å; V583-F587 PolarHBondContact O-N 3.49Å
584	I	76.6	Confident	81.4	Confident	114 Å²	114	69.4 Å²	69.4	59%	0.585	37%	0.366	S	S	*	.	H	α-helix	trans	-65.5	-44.9	174.7	-60.6	170.8	0	0	0	110.4	S582 L586 F587 E588	S582-I584 PolarHBondContact O-N 3.24Å; S582-I584 PolarHBondContact OG-N 2.82Å; I584-L586 PolarHBondContact O-N 3.3Å; I584-F587 PolarHBondContact O-N 3.19Å; I584-E588 PolarHBondContact O-N 3.42Å
585	G	73.2	Confident	81.1	Confident	12 Å²	12	73.7 Å²	73.7	12%	0.124	38%	0.384	C	S	.	.	H	α-helix	trans	-60	-29	176	0	0	0	0	0	113.6	S582 F589	S582-G585 WeakPolarHBondContact O-CA 3.11Å; S582-G585 PolarHBondContact O-N 3.05Å; S582-G585 PolarHBondContact OG-N 3.09Å; S582-G585 VanDerWaalsContact OG-N 3.1Å; G585-F589 WeakPolarHBondContact O-CB 3.48Å; G585-F589 PolarHBondContact O-N 3.39Å
586	L	76.8	Confident	80.9	Confident	88 Å²	88	73.4 Å²	73.4	46%	0.461	38%	0.383	S	S	.	.	H	α-helix	trans	-66.4	-42.7	171.8	-175	71.5	0	0	0	112	S582 V583 I584 F589 I590	S582-L586 PolarHBondContact O-N 3.08Å; S582-L586 VanDerWaalsContact O-N 3.07Å; V583-L586 WeakPolarHBondContact O-CB 3.27Å; V583-L586 PolarHBondContact O-N 2.96Å; I584-L586 PolarHBondContact O-N 3.3Å; L586-F589 WeakPolarHBondContact O-CB 3.44Å; L586-F589 PolarHBondContact O-N 3.03Å; L586-I590 HydrophobicContact CG-CD1 4.27Å; L586-I590 WeakPolarHBondContact O-CG1 3.41Å; L586-I590 PolarHBondContact O-N 3.31Å
587	F	82	Confident	80.9	Confident	137 Å²	137	77 Å²	77	60%	0.601	39%	0.394	S	S	*	.	H	α-helix	trans	-66.4	-39.5	176.4	-74.9	-73.3	0	0	0	112.1	V583 I584 F589 I590 E591	V583-F587 HydrophobicContact CG1-CD2 4.29Å; V583-F587 HydrophobicContact CG1-CE2 3.88Å; V583-F587 WeakPolarHBondContact O-CD2 3.41Å; V583-F587 PolarHBondContact O-N 3.49Å; I584-F587 PolarHBondContact O-N 3.19Å; F587-F589 VanDerWaalsContact C-N 3.28Å; F587-F589 PolarHBondContact O-N 3.47Å; F587-I590 PolarHBondContact O-N 3.1Å; F587-E591 WeakPolarHBondContact O-CB 3.33Å; F587-E591 PolarHBondContact O-N 3.4Å
588	E	77.7	Confident	80.8	Confident	61 Å²	61	77.6 Å²	77.6	29%	0.285	39%	0.388	S	S	.	.	H	α-helix	trans	-59.4	-39.9	172.6	-68	176.7	174.9	0	0	111.6	I584 E591 L592	I584-E588 PolarHBondContact O-N 3.42Å; E588-E591 PolarHBondContact O-N 2.87Å; E588-L592 PolarHBondContact O-N 2.98Å
589	F	76.8	Confident	80.7	Confident	112 Å²	112	76.4 Å²	76.4	49%	0.491	39%	0.39	S	S	.	.	H	α-helix	trans	-66.7	-41.1	175.8	-177.4	-104.1	0	0	0	112.7	G585 L586 F587 L592 I593	G585-F589 WeakPolarHBondContact O-CB 3.48Å; G585-F589 PolarHBondContact O-N 3.39Å; L586-F589 WeakPolarHBondContact O-CB 3.44Å; L586-F589 PolarHBondContact O-N 3.03Å; F587-F589 VanDerWaalsContact C-N 3.28Å; F587-F589 PolarHBondContact O-N 3.47Å; F589-L592 WeakPolarHBondContact O-CB 3.31Å; F589-L592 PolarHBondContact O-N 3.01Å; F589-I593 HydrophobicContact CD1-CD1 3.75Å; F589-I593 HydrophobicContact CE1-CD1 3.22Å; F589-I593 HydrophobicContact CE1-CG1 4.22Å; F589-I593 HydrophobicContact CE2-CD1 4.4Å; F589-I593 HydrophobicContact CZ-CD1 3.6Å; F589-I593 HydrophobicContact CZ-CG1 4.29Å; F589-I593 WeakPolarHBondContact O-CG1 3.5Å; F589-I593 PolarHBondContact O-N 2.85Å
590	I	82.4	Confident	80.7	Confident	81 Å²	81	79.9 Å²	79.9	42%	0.415	41%	0.409	S	S	.	.	H	α-helix	trans	-64.9	-41	175.5	-68.3	165.9	0	0	0	111.1	L586 F587 L592 I593 S594	L586-I590 HydrophobicContact CG-CD1 4.27Å; L586-I590 WeakPolarHBondContact O-CG1 3.41Å; L586-I590 PolarHBondContact O-N 3.31Å; F587-I590 PolarHBondContact O-N 3.1Å; I590-L592 VanDerWaalsContact C-N 3.34Å; I590-I593 PolarHBondContact O-N 3.32Å; I590-S594 WeakPolarHBondContact O-CB 3.41Å; I590-S594 PolarHBondContact O-N 3.22Å; I590-S594 PolarHBondContact O-OG 3.47Å
591	E	82.8	Confident	80.9	Confident	114 Å²	114	85.2 Å²	85.2	53%	0.533	43%	0.43	S	S	.	.	H	α-helix	trans	-58.7	-47.3	174.2	-178.1	-179.4	177.9	0	0	110.5	F587 E588 I593 S594 F595	F587-E591 WeakPolarHBondContact O-CB 3.33Å; F587-E591 PolarHBondContact O-N 3.4Å; E588-E591 PolarHBondContact O-N 2.87Å; E591-I593 PolarHBondContact O-N 3.03Å; E591-S594 WeakPolarHBondContact O-CB 3.26Å; E591-S594 PolarHBondContact O-N 2.98Å; E591-F595 HydrophobicContact CG-CD2 3.82Å; E591-F595 HydrophobicContact CG-CE2 3.63Å; E591-F595 VanDerWaalsContact O-CD2 3.27Å; E591-F595 WeakPolarHBondContact O-CD2 3.41Å; E591-F595 PolarHBondContact O-N 3.45Å; E591-F595 WeakPolarHBondContact OE1-CE2 3.33Å
592	L	77.1	Confident	81.1	Confident	33 Å²	33	86 Å²	86	17%	0.173	43%	0.434	C	S	.	.	H	α-helix	trans	-59.7	-47.5	176.7	-175	77.1	0	0	0	112.3	L48 E588 F589 I590 S594 F595 I596	L48-L592 HydrophobicContact CD1-CB 4.37Å; L48-L592 HydrophobicContact CD1-CD1 4.45Å; L48-L592 HydrophobicContact CD1-CD2 4.1Å; L48-L592 HydrophobicContact CD2-CD2 3.77Å; L48-L592 HydrophobicContact CG-CD2 4.47Å; E588-L592 PolarHBondContact O-N 2.98Å; F589-L592 WeakPolarHBondContact O-CB 3.31Å; F589-L592 PolarHBondContact O-N 3.01Å; I590-L592 VanDerWaalsContact C-N 3.34Å; L592-S594 VanDerWaalsContact C-N 3.28Å; L592-S594 PolarHBondContact O-N 3.38Å; L592-F595 PolarHBondContact O-N 3.38Å; L592-I596 HydrophobicContact CD2-CD1 4.41Å; L592-I596 HydrophobicContact CG-CD1 4.02Å; L592-I596 VanDerWaalsContact O-CG1 3.31Å; L592-I596 WeakPolarHBondContact O-CG1 3.38Å; L592-I596 PolarHBondContact O-N 3.43Å
593	I	83	Confident	81.2	Confident	68 Å²	68	91.2 Å²	91.2	35%	0.349	45%	0.448	S	S	.	.	H	α-helix	trans	-59.2	-43.4	176.5	-73.9	174.2	0	0	0	110.5	F589 I590 E591 F595 I596 L597	F589-I593 HydrophobicContact CD1-CD1 3.75Å; F589-I593 HydrophobicContact CE1-CD1 3.22Å; F589-I593 HydrophobicContact CE1-CG1 4.22Å; F589-I593 HydrophobicContact CE2-CD1 4.4Å; F589-I593 HydrophobicContact CZ-CD1 3.6Å; F589-I593 HydrophobicContact CZ-CG1 4.29Å; F589-I593 WeakPolarHBondContact O-CG1 3.5Å; F589-I593 PolarHBondContact O-N 2.85Å; I590-I593 PolarHBondContact O-N 3.32Å; E591-I593 PolarHBondContact O-N 3.03Å; I593-F595 VanDerWaalsContact C-N 3.33Å; I593-F595 PolarHBondContact O-N 3.28Å; I593-I596 PolarHBondContact O-N 3.45Å; I593-L597 HydrophobicContact CG2-CD1 3.73Å; I593-L597 HydrophobicContact CG2-CG 4.2Å; I593-L597 WeakPolarHBondContact O-CB 3.33Å; I593-L597 WeakPolarHBondContact O-CG 3.28Å; I593-L597 PolarHBondContact O-N 2.84Å
594	S	83.9	Confident	81.5	Confident	64 Å²	64	89.9 Å²	89.9	45%	0.448	44%	0.436	S	S	.	.	H	α-helix	trans	-62.2	-41.6	178.8	-58.9	0	0	0	0	111.3	I590 E591 L592 Y598	I590-S594 WeakPolarHBondContact O-CB 3.41Å; I590-S594 PolarHBondContact O-N 3.22Å; I590-S594 PolarHBondContact O-OG 3.47Å; E591-S594 WeakPolarHBondContact O-CB 3.26Å; E591-S594 PolarHBondContact O-N 2.98Å; L592-S594 VanDerWaalsContact C-N 3.28Å; L592-S594 PolarHBondContact O-N 3.38Å; S594-Y598 WeakPolarHBondContact O-CB 3.49Å; S594-Y598 PolarHBondContact O-N 2.89Å
595	F	84.4	Confident	81.8	Confident	122 Å²	122	89 Å²	89	54%	0.535	43%	0.431	S	S	.	.	H	α-helix	trans	-63.5	-41.6	172.7	-85.6	-65.3	0	0	0	112.8	E591 L592 I593 Y598 T599	E591-F595 HydrophobicContact CG-CD2 3.82Å; E591-F595 HydrophobicContact CG-CE2 3.63Å; E591-F595 VanDerWaalsContact O-CD2 3.27Å; E591-F595 WeakPolarHBondContact O-CD2 3.41Å; E591-F595 PolarHBondContact O-N 3.45Å; E591-F595 WeakPolarHBondContact OE1-CE2 3.33Å; L592-F595 PolarHBondContact O-N 3.38Å; I593-F595 VanDerWaalsContact C-N 3.33Å; I593-F595 PolarHBondContact O-N 3.28Å; F595-Y598 PolarHBondContact O-N 3.36Å; F595-T599 WeakPolarHBondContact O-CB 3.29Å; F595-T599 VanDerWaalsContact O-CG2 3.31Å; F595-T599 WeakPolarHBondContact O-CG2 3.43Å; F595-T599 PolarHBondContact O-N 3.18Å; F595-T599 PolarHBondContact O-OG1 2.89Å
596	I	83.4	Confident	82.1	Confident	59 Å²	59	96.5 Å²	96.5	30%	0.303	46%	0.46	S	S	.	.	H	α-helix	trans	-64.5	-48.7	177	-67.6	167.2	0	0	0	110.3	F41 L592 I593 Y598 T599 L600	F41-I596 HydrophobicContact CD2-CG1 4.29Å; F41-I596 HydrophobicContact CE2-CD1 4.01Å; F41-I596 HydrophobicContact CE2-CG1 3.99Å; L592-I596 HydrophobicContact CD2-CD1 4.41Å; L592-I596 HydrophobicContact CG-CD1 4.02Å; L592-I596 VanDerWaalsContact O-CG1 3.31Å; L592-I596 WeakPolarHBondContact O-CG1 3.38Å; L592-I596 PolarHBondContact O-N 3.43Å; I593-I596 PolarHBondContact O-N 3.45Å; I596-Y598 VanDerWaalsContact C-N 3.34Å; I596-Y598 PolarHBondContact O-N 2.78Å; I596-T599 WeakPolarHBondContact CA-OG1 3.42Å; I596-T599 PolarHBondContact O-N 2.97Å; I596-T599 PolarHBondContact O-OG1 3.07Å; I596-L600 VanDerWaalsContact O-CB 3.27Å; I596-L600 WeakPolarHBondContact O-CB 3.33Å; I596-L600 PolarHBondContact O-N 2.94Å
597	L	86.5	Confident	82.2	Confident	107 Å²	107	97 Å²	97	56%	0.56	46%	0.462	S	S	*	.	H	α-helix	trans	-62.1	-41.3	177.8	-73	172.2	0	0	0	111.8	I593 L600 F601	I593-L597 HydrophobicContact CG2-CD1 3.73Å; I593-L597 HydrophobicContact CG2-CG 4.2Å; I593-L597 WeakPolarHBondContact O-CB 3.33Å; I593-L597 WeakPolarHBondContact O-CG 3.28Å; I593-L597 PolarHBondContact O-N 2.84Å; L597-L600 PolarHBondContact O-N 3.48Å; L597-F601 WeakPolarHBondContact O-CB 3.49Å; L597-F601 PolarHBondContact O-N 3.28Å
598	Y	86.4	Confident	81.8	Confident	145 Å²	145	94.2 Å²	94.2	57%	0.569	46%	0.46	S	S	*	.	H	α-helix	trans	-63.4	-44.6	176.6	177.2	-104.5	0	0	0	112.3	S594 F595 I596 F601 N602	S594-Y598 WeakPolarHBondContact O-CB 3.49Å; S594-Y598 PolarHBondContact O-N 2.89Å; F595-Y598 PolarHBondContact O-N 3.36Å; I596-Y598 VanDerWaalsContact C-N 3.34Å; I596-Y598 PolarHBondContact O-N 2.78Å; Y598-F601 PolarHBondContact O-N 2.87Å; Y598-N602 WeakPolarHBondContact CE1-ND2 3.46Å; Y598-N602 WeakPolarHBondContact CE2-ND2 3.32Å; Y598-N602 WeakPolarHBondContact O-CB 3.18Å; Y598-N602 PolarHBondContact O-N 3.3Å; Y598-N602 PolarHBondContact O-ND2 3.38Å; Y598-N602 VanDerWaalsContact O-ND2 3.09Å; Y598-N602 PolarHBondContact OH-ND2 3.37Å
599	T	83.2	Confident	81.4	Confident	58 Å²	58	102.2 Å²	102.2	36%	0.356	49%	0.487	S	S	.	.	H	α-helix	trans	-67.9	-39	177.2	52.2	0	0	0	0	111.8	F595 I596 Y603	F595-T599 WeakPolarHBondContact O-CB 3.29Å; F595-T599 VanDerWaalsContact O-CG2 3.31Å; F595-T599 WeakPolarHBondContact O-CG2 3.43Å; F595-T599 PolarHBondContact O-N 3.18Å; F595-T599 PolarHBondContact O-OG1 2.89Å; I596-T599 WeakPolarHBondContact CA-OG1 3.42Å; I596-T599 PolarHBondContact O-N 2.97Å; I596-T599 PolarHBondContact O-OG1 3.07Å; T599-Y603 VanDerWaalsContact O-CB 3.29Å; T599-Y603 WeakPolarHBondContact O-CB 3.24Å; T599-Y603 PolarHBondContact O-N 3.03Å
600	L	83.6	Confident	80.6	Confident	95 Å²	95	105.6 Å²	105.6	50%	0.497	50%	0.502	S	S	.	.	H	α-helix	trans	-65.4	-43.9	174.9	-154.4	101	0	0	0	111.7	I596 L597 Y603 I604	I596-L600 VanDerWaalsContact O-CB 3.27Å; I596-L600 WeakPolarHBondContact O-CB 3.33Å; I596-L600 PolarHBondContact O-N 2.94Å; L597-L600 PolarHBondContact O-N 3.48Å; L600-Y603 WeakPolarHBondContact O-CB 3.38Å; L600-Y603 PolarHBondContact O-N 3Å; L600-I604 HydrophobicContact CD2-CD1 3.87Å; L600-I604 HydrophobicContact CG-CD1 4.21Å; L600-I604 WeakPolarHBondContact O-CB 3.4Å; L600-I604 VanDerWaalsContact O-CG1 3.26Å; L600-I604 WeakPolarHBondContact O-CG1 3.38Å; L600-I604 PolarHBondContact O-N 3.27Å
601	F	84.9	Confident	78.9	Confident	120 Å²	120	111.5 Å²	111.5	53%	0.526	53%	0.534	S	S	.	.	H	α-helix	trans	-61.9	-46.6	176	178.5	-99.1	0	0	0	111.4	L597 Y598 Y603 I604 M605	L597-F601 WeakPolarHBondContact O-CB 3.49Å; L597-F601 PolarHBondContact O-N 3.28Å; Y598-F601 PolarHBondContact O-N 2.87Å; F601-Y603 VanDerWaalsContact C-N 3.28Å; F601-Y603 PolarHBondContact O-N 3.5Å; F601-I604 PolarHBondContact O-N 2.9Å; F601-M605 HydrophobicContact CD1-CG 4.03Å; F601-M605 HydrophobicContact CD2-CG 4.38Å; F601-M605 HydrophobicContact CE1-CG 3.58Å; F601-M605 HydrophobicContact CE1-SD 4.48Å; F601-M605 HydrophobicContact CE2-CG 3.97Å; F601-M605 HydrophobicContact CE2-SD 4.29Å; F601-M605 HydrophobicContact CG-CG 4.41Å; F601-M605 HydrophobicContact CZ-CG 3.55Å; F601-M605 HydrophobicContact CZ-SD 3.92Å; F601-M605 WeakPolarHBondContact O-CB 3.34Å; F601-M605 WeakPolarHBondContact O-CG 3.49Å; F601-M605 PolarHBondContact O-N 3.41Å
602	N	84.1	Confident	78.8	Confident	61 Å²	61	111.4 Å²	111.4	33%	0.326	53%	0.534	S	S	.	.	H	α-helix	trans	-62.4	-37	175.2	-79.3	-41.2	0	0	0	112.5	Y598 K606	Y598-N602 WeakPolarHBondContact CE1-ND2 3.46Å; Y598-N602 WeakPolarHBondContact CE2-ND2 3.32Å; Y598-N602 WeakPolarHBondContact O-CB 3.18Å; Y598-N602 PolarHBondContact O-N 3.3Å; Y598-N602 PolarHBondContact O-ND2 3.38Å; Y598-N602 VanDerWaalsContact O-ND2 3.09Å; Y598-N602 PolarHBondContact OH-ND2 3.37Å; N602-K606 WeakPolarHBondContact O-CB 3.29Å; N602-K606 PolarHBondContact O-N 2.91Å
603	Y	81.7	Confident	78.8	Confident	156 Å²	156	115.5 Å²	115.5	61%	0.612	55%	0.553	S	S	*	*	H	α-helix	trans	-64.6	-47	174.3	-179.7	-99.5	0	0	0	111.5	T599 L600 F601 K606 L607	T599-Y603 VanDerWaalsContact O-CB 3.29Å; T599-Y603 WeakPolarHBondContact O-CB 3.24Å; T599-Y603 PolarHBondContact O-N 3.03Å; L600-Y603 WeakPolarHBondContact O-CB 3.38Å; L600-Y603 PolarHBondContact O-N 3Å; F601-Y603 VanDerWaalsContact C-N 3.28Å; F601-Y603 PolarHBondContact O-N 3.5Å; Y603-K606 WeakPolarHBondContact O-CB 3.41Å; Y603-K606 PolarHBondContact O-N 3.05Å; Y603-L607 HydrophobicContact CD1-CD1 3.78Å; Y603-L607 HydrophobicContact CE1-CD1 3.29Å; Y603-L607 HydrophobicContact CE2-CD1 4.2Å; Y603-L607 HydrophobicContact CG-CD1 4.41Å; Y603-L607 PolarHBondContact O-N 3.06Å
604	I	82.3	Confident	78.6	Confident	81 Å²	81	118.2 Å²	118.2	42%	0.415	56%	0.564	S	S	.	*	H	α-helix	trans	-64.1	-44.4	176.7	-67.7	165.2	0	0	0	111.1	L600 F601 K606 L607 C608	L600-I604 HydrophobicContact CD2-CD1 3.87Å; L600-I604 HydrophobicContact CG-CD1 4.21Å; L600-I604 WeakPolarHBondContact O-CB 3.4Å; L600-I604 VanDerWaalsContact O-CG1 3.26Å; L600-I604 WeakPolarHBondContact O-CG1 3.38Å; L600-I604 PolarHBondContact O-N 3.27Å; F601-I604 PolarHBondContact O-N 2.9Å; I604-K606 VanDerWaalsContact C-N 3.31Å; I604-K606 PolarHBondContact O-N 3.19Å; I604-L607 CarbonylContact O-C 3.55Å; I604-L607 WeakPolarHBondContact O-CA 3.21Å; I604-L607 WeakPolarHBondContact O-CB 3.43Å; I604-L607 PolarHBondContact O-N 3.42Å; I604-C608 PolarHBondContact O-N 3.02Å
605	M	82	Confident	78.3	Confident	96 Å²	96	121.4 Å²	121.4	47%	0.473	57%	0.571	S	S	.	*	H	α-helix	trans	-62	-37.9	176.4	-77	-63.7	-68.4	0	0	112.2	F601 L607 C608 R609	F601-M605 HydrophobicContact CD1-CG 4.03Å; F601-M605 HydrophobicContact CD2-CG 4.38Å; F601-M605 HydrophobicContact CE1-CG 3.58Å; F601-M605 HydrophobicContact CE1-SD 4.48Å; F601-M605 HydrophobicContact CE2-CG 3.97Å; F601-M605 HydrophobicContact CE2-SD 4.29Å; F601-M605 HydrophobicContact CG-CG 4.41Å; F601-M605 HydrophobicContact CZ-CG 3.55Å; F601-M605 HydrophobicContact CZ-SD 3.92Å; F601-M605 WeakPolarHBondContact O-CB 3.34Å; F601-M605 WeakPolarHBondContact O-CG 3.49Å; F601-M605 PolarHBondContact O-N 3.41Å; M605-L607 VanDerWaalsContact C-N 3.3Å; M605-L607 PolarHBondContact O-N 2.91Å; M605-C608 PolarHBondContact O-N 3.35Å; M605-R609 VanDerWaalsContact O-CB 3.31Å; M605-R609 WeakPolarHBondContact O-CB 3.45Å; M605-R609 PolarHBondContact O-N 3.35Å
606	K	80	Confident	77.9	Confident	168 Å²	168	121.3 Å²	121.3	73%	0.73	57%	0.574	S	S	*	*	H	α-helix	trans	-63.6	-35.2	171.3	-89.7	-177.4	175.8	177.6	0	112.3	N602 Y603 I604	N602-K606 WeakPolarHBondContact O-CB 3.29Å; N602-K606 PolarHBondContact O-N 2.91Å; Y603-K606 WeakPolarHBondContact O-CB 3.41Å; Y603-K606 PolarHBondContact O-N 3.05Å; I604-K606 VanDerWaalsContact C-N 3.31Å; I604-K606 PolarHBondContact O-N 3.19Å
607	L	78.8	Confident	77.6	Confident	98 Å²	98	125.5 Å²	125.5	51%	0.513	59%	0.592	S	S	.	*	H	α-helix	trans	-70.7	-45.5	173.9	-100.6	130.1	0	0	0	112	Y603 I604 M605 K610	Y603-L607 HydrophobicContact CD1-CD1 3.78Å; Y603-L607 HydrophobicContact CE1-CD1 3.29Å; Y603-L607 HydrophobicContact CE2-CD1 4.2Å; Y603-L607 HydrophobicContact CG-CD1 4.41Å; Y603-L607 PolarHBondContact O-N 3.06Å; I604-L607 CarbonylContact O-C 3.55Å; I604-L607 WeakPolarHBondContact O-CA 3.21Å; I604-L607 WeakPolarHBondContact O-CB 3.43Å; I604-L607 PolarHBondContact O-N 3.42Å; M605-L607 VanDerWaalsContact C-N 3.3Å; M605-L607 PolarHBondContact O-N 2.91Å; L607-K610 WeakPolarHBondContact O-CB 3.47Å; L607-K610 PolarHBondContact O-N 3.48Å; L607-K610 VanDerWaalsContact O-N 3.12Å
608	C	73.7	Confident	76.9	Confident	80 Å²	80	126.8 Å²	126.8	54%	0.541	59%	0.594	S	S	.	*	H	α-helix	trans	-67.2	-36.1	179	-73.3	0	0	0	0	113.2	I604 M605 K610 N611	I604-C608 PolarHBondContact O-N 3.02Å; M605-C608 PolarHBondContact O-N 3.35Å; C608-K610 PolarHBondContact O-N 3.06Å; C608-N611 PolarHBondContact O-N 3.4Å; C608-N611 VanDerWaalsContact O-OXT 3.11Å
609	R	69.5	Low	76.2	Confident	228 Å²	228	125.4 Å²	125.4	86%	0.86	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	-8.4	174.3	-171.7	172.2	167.2	176.1	-2.2	112.9	M605	M605-R609 VanDerWaalsContact O-CB 3.31Å; M605-R609 WeakPolarHBondContact O-CB 3.45Å; M605-R609 PolarHBondContact O-N 3.35Å
610	K	58.9	Low	75.6	Confident	184 Å²	184	131 Å²	131	80%	0.8	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	-3.5	177.8	-131.6	-179.9	-179.4	-174	0	113.5	L607 C608	L607-K610 WeakPolarHBondContact O-CB 3.47Å; L607-K610 PolarHBondContact O-N 3.48Å; L607-K610 VanDerWaalsContact O-N 3.12Å; C608-K610 PolarHBondContact O-N 3.06Å
611	N	48	Very low	74.9	Confident	205 Å²	205	134.3 Å²	134.3	100%	1.096	63%	0.627	S	S	*	*			trans	-104.6	0	160.2	-73	-9.3	0	0	0	108.7	C608	C608-N611 PolarHBondContact O-N 3.4Å; C608-N611 VanDerWaalsContact O-OXT 3.11Å

Retrieved 611 of 611 residues in 303.5 ms (Link to these results)

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