A0A060D4L7_MAIZE Loading...

GRAS transcription factor

AlphaFold DB , UniProt , Accession A0A060D4L7, Species MAIZE (Zea mays, Maize), Gene GRAS14, Length 599 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	35	Very low	31.9	Very low	241 Å²	241	139.1 Å²	139.1	100%	1.187	74%	0.737	S	S	*	*				0	104.7	0	-67.9	179	-171.2	0	0	105.3	T3	M1-T3 PolarHBondContact O-N 3.49Å
2	A	32.4	Very low	31.9	Very low	100 Å²	100	139 Å²	139	83%	0.826	74%	0.737	S	S	*	*			trans	-80.9	105.7	-170.7	0	0	0	0	0	108.8	T4	A2-T4 PolarHBondContact O-N 3Å
3	T	30	Very low	31.7	Very low	121 Å²	121	140.8 Å²	140.8	74%	0.742	75%	0.746	S	S	*	*			trans	-72.3	117	170.8	8.5	0	0	0	0	108.1	M1	M1-T3 PolarHBondContact O-N 3.49Å
4	T	32.4	Very low	31.6	Very low	85 Å²	85	139.1 Å²	139.1	52%	0.521	74%	0.744	S	S	.	*			trans	-77	160.9	180	45.7	0	0	0	0	110.6	A2 E6	A2-T4 PolarHBondContact O-N 3Å; T4-E6 PolarHBondContact O-N 3.16Å
5	P	31.3	Very low	31.4	Very low	118 Å²	118	134.4 Å²	134.4	77%	0.766	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-66.3	4.6	-175	-17.2	31.3	0	0	0	115.4
6	E	30.4	Very low	31.3	Very low	151 Å²	151	137.4 Å²	137.4	71%	0.706	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-80.8	-19.2	-177.5	-62.3	-169.9	164.2	0	0	112.9	T4 F8	T4-E6 PolarHBondContact O-N 3.16Å; E6-F8 VanDerWaalsContact C-N 3.28Å; E6-F8 PolarHBondContact O-N 3.13Å
7	D	33.3	Very low	31.4	Very low	95 Å²	95	135.5 Å²	135.5	51%	0.508	74%	0.736	S	S	.	*	G	3₁₀ helix	trans	-80.1	-4.6	-177.8	-76.5	-28.9	0	0	0	114.2
8	F	30.4	Very low	31.5	Very low	174 Å²	174	134.8 Å²	134.8	76%	0.763	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-80.9	-15.6	-179.7	-144.4	-93	0	0	0	114	E6	E6-F8 VanDerWaalsContact C-N 3.28Å; E6-F8 PolarHBondContact O-N 3.13Å
9	F	30.4	Very low	31.4	Very low	177 Å²	177	132.9 Å²	132.9	78%	0.776	74%	0.744	S	S	*	*	S	Bend	trans	-102.6	-6.6	-177.5	-78.6	-75.4	0	0	0	115.2
10	I	32.1	Very low	31.2	Very low	124 Å²	124	131.9 Å²	131.9	64%	0.636	75%	0.746	S	S	*	*	S	Bend	trans	-90.6	-18.3	-179.4	-62.4	-175.9	0	0	0	112.4
11	Q	33.6	Very low	31	Very low	144 Å²	144	131.5 Å²	131.5	67%	0.673	75%	0.749	S	S	*	*	G	3₁₀ helix	trans	-83.2	-25	-175.4	-100.6	174.1	-14	0	0	115.7	L13 T14 A15	Q11-L13 PolarHBondContact O-N 3.3Å; Q11-T14 PolarHBondContact O-N 3.24Å; Q11-T14 VanDerWaalsContact O-N 3.1Å; Q11-T14 PolarHBondContact O-OG1 3.19Å; Q11-A15 PolarHBondContact O-N 3.39Å
12	D	31.2	Very low	30.7	Very low	138 Å²	138	125.4 Å²	125.4	74%	0.738	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-74	-10.3	-177.4	-88.8	-10.4	0	0	0	114.7	T14	D12-T14 VanDerWaalsContact C-N 3.33Å
13	L	29.9	Very low	30.4	Very low	163 Å²	163	126.5 Å²	126.5	85%	0.853	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-83.4	-8	170.9	-76.8	169.6	0	0	0	113.6	Q11	Q11-L13 PolarHBondContact O-N 3.3Å
14	T	29.9	Very low	30.4	Very low	117 Å²	117	129.8 Å²	129.8	72%	0.718	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.3	-1.8	-177.5	59.8	0	0	0	0	114.9	Q11 D12 Q16	Q11-T14 PolarHBondContact O-N 3.24Å; Q11-T14 VanDerWaalsContact O-N 3.1Å; Q11-T14 PolarHBondContact O-OG1 3.19Å; D12-T14 VanDerWaalsContact C-N 3.33Å; T14-Q16 PolarHBondContact O-N 3.22Å
15	A	29.3	Very low	30.1	Very low	68 Å²	68	133.5 Å²	133.5	56%	0.562	74%	0.743	S	S	*	*			trans	-81.1	110.6	174.8	0	0	0	0	0	110.9	Q11	Q11-A15 PolarHBondContact O-N 3.39Å
16	Q	29.6	Very low	30	Very low	182 Å²	182	134.1 Å²	134.1	85%	0.85	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-56.6	135.9	163.7	-84.3	-107.7	-49.6	0	0	109.5	T14	T14-Q16 PolarHBondContact O-N 3.22Å
17	P	32.9	Very low	29.9	Very low	105 Å²	105	135.4 Å²	135.4	68%	0.682	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-63.6	142.3	-173.9	24.2	-32.5	0	0	0	111.5
18	P	33.1	Very low	29.4	Very low	123 Å²	123	139 Å²	139	80%	0.799	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-63.6	143.4	176.4	25.6	-31.8	0	0	0	111	S20	P18-S20 PolarHBondContact O-N 3.45Å
19	A	29.6	Very low	29.3	Very low	100 Å²	100	139.9 Å²	139.9	83%	0.826	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-59	128.9	176.4	0	0	0	0	0	110.8
20	S	26.7	Very low	29.1	Very low	112 Å²	112	141.4 Å²	141.4	78%	0.783	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-61.8	130.6	179.9	-47	0	0	0	0	111.1	P18	P18-S20 PolarHBondContact O-N 3.45Å
21	P	28.4	Very low	29	Very low	124 Å²	124	141.5 Å²	141.5	81%	0.805	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-71	141.1	173.2	26.9	-30.8	0	0	0	110.7
22	P	27.7	Very low	28.6	Very low	113 Å²	113	140.1 Å²	140.1	73%	0.734	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-87.6	142.2	177.5	29.8	-23.7	0	0	0	111.9
23	V	27.3	Very low	28.3	Very low	123 Å²	123	140.4 Å²	140.4	75%	0.745	80%	0.803	S	S	*	*			trans	75	115.1	151.1	-178.7	0	0	0	0	116.6
24	F	29.2	Very low	28.2	Very low	189 Å²	189	137.4 Å²	137.4	83%	0.829	80%	0.802	S	S	*	*				-157.8	101.2	121.2	-115.6	-82.9	0	0	0	109.4
25	L	25.8	Very low	27.9	Very low	163 Å²	163	136.7 Å²	136.7	85%	0.853	80%	0.802	S	S	*	*			trans	-77	110.4	156.9	-84.3	157.3	0	0	0	106
26	D	29.5	Very low	27.9	Very low	132 Å²	132	141.1 Å²	141.1	71%	0.706	82%	0.816	S	S	*	*			trans	-173.8	79	156.4	-103	-17.9	0	0	0	110.7
27	L	27.8	Very low	27.6	Very low	177 Å²	177	140.2 Å²	140.2	93%	0.927	82%	0.817	S	S	*	*			trans	-145.2	68.8	157.6	-76.8	-179.7	0	0	0	109.3
28	L	23.3	Very low	27.4	Very low	172 Å²	172	142.8 Å²	142.8	90%	0.901	82%	0.82	S	S	*	*			trans	-116.9	87.3	159.7	-77.9	176.4	0	0	0	108.6
29	Q	28.6	Very low	27.1	Very low	191 Å²	191	143 Å²	143	89%	0.893	82%	0.819	S	S	*	*			trans	-130.4	103.4	160.5	-81.4	-174	-20.8	0	0	109	P31	Q29-P31 WeakPolarHBondContact O-CD 3.49Å
30	K	25	Very low	26.9	Very low	209 Å²	209	148.1 Å²	148.1	91%	0.909	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-75.4	125.4	162.8	-83.4	179.6	172.9	177.9	0	108.6
31	P	30.2	Very low	26.8	Very low	126 Å²	126	153.8 Å²	153.8	82%	0.818	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-85	143.4	161.5	-2.6	22.2	0	0	0	110.2	Q29	Q29-P31 WeakPolarHBondContact O-CD 3.49Å
32	S	25.9	Very low	26.7	Very low	116 Å²	116	155.3 Å²	155.3	81%	0.811	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-67.3	151.4	-178.8	49.6	0	0	0	0	114.5
33	V	24.3	Very low	26.7	Very low	143 Å²	143	156.1 Å²	156.1	87%	0.867	82%	0.82	S	S	*	*			trans	-41.7	129.5	165.6	179.4	0	0	0	0	113.2
34	A	28.7	Very low	26.8	Very low	100 Å²	100	155.8 Å²	155.8	83%	0.826	82%	0.818	S	S	*	*			trans	-137.3	114.9	155	0	0	0	0	0	108.6
35	S	24	Very low	26.9	Very low	102 Å²	102	151.5 Å²	151.5	71%	0.713	81%	0.809	S	S	*	*			trans	-64.8	134.1	172.4	55.5	0	0	0	0	110.7
36	N	28	Very low	27.3	Very low	161 Å²	161	150.8 Å²	150.8	86%	0.861	81%	0.806	S	S	*	*			trans	-150.3	115.8	144	-97.9	-16	0	0	0	109.4	E38	N36-E38 PolarHBondContact O-N 3.03Å
37	N	24.7	Very low	27.6	Very low	164 Å²	164	150.3 Å²	150.3	88%	0.877	80%	0.804	S	S	*	*			trans	-65	106.8	169.8	-83.6	-25.9	0	0	0	109.1
38	E	28.9	Very low	28.1	Very low	159 Å²	159	147.1 Å²	147.1	74%	0.743	79%	0.788	S	S	*	*			trans	-131.4	122.8	156.5	-75.1	-166.4	167.6	0	0	110.8	N36 W40	N36-E38 PolarHBondContact O-N 3.03Å; E38-W40 PolarHBondContact O-N 3.26Å; E38-W40 VanDerWaalsContact O-N 3.11Å
39	V	25.6	Very low	29.1	Very low	127 Å²	127	146.2 Å²	146.2	77%	0.77	78%	0.78	S	S	*	*			trans	-72.5	93.2	-171.2	176.5	0	0	0	0	109.2
40	W	25.7	Very low	29.8	Very low	207 Å²	207	140.4 Å²	140.4	78%	0.784	76%	0.758	S	S	*	*			trans	-101.2	102.5	166	-71.3	94.9	0	0	0	109.3	E38 H42	E38-W40 PolarHBondContact O-N 3.26Å; E38-W40 VanDerWaalsContact O-N 3.11Å; W40-H42 PolarHBondContact O-N 3.07Å
41	R	24.5	Very low	30.5	Very low	232 Å²	232	135.9 Å²	135.9	88%	0.875	74%	0.743	S	S	*	*			trans	-63.4	83.8	166.1	-69	178.3	-176	144.4	0	108.7
42	H	26.7	Very low	31	Very low	155 Å²	155	133.6 Å²	133.6	72%	0.718	73%	0.728	S	S	*	*			trans	-93.9	110.7	162	-96.3	-80.2	0	0	0	108.3	W40 V44	W40-H42 PolarHBondContact O-N 3.07Å; H42-V44 PolarHBondContact O-N 3.32Å
43	V	27.4	Very low	31.8	Very low	130 Å²	130	133.8 Å²	133.8	79%	0.788	71%	0.712	S	S	*	*			trans	-50.5	102.6	163	176.5	0	0	0	0	106.8	P45	V43-P45 VanDerWaalsContact O-CD 3.29Å; V43-P45 WeakPolarHBondContact O-CD 3.38Å
44	V	28.8	Very low	32.6	Very low	116 Å²	116	131 Å²	131	70%	0.703	69%	0.691	S	S	*	*			trans	-75.3	112.3	166.8	178.5	0	0	0	0	104.6	H42 D46	H42-V44 PolarHBondContact O-N 3.32Å; V44-D46 PolarHBondContact O-N 3.02Å
45	P	31.5	Very low	33.3	Very low	100 Å²	100	129.3 Å²	129.3	65%	0.649	67%	0.673	S	S	*	*			trans	-64.6	125.7	167.4	-5.5	22.7	0	0	0	105.4	V43 N47	V43-P45 VanDerWaalsContact O-CD 3.29Å; V43-P45 WeakPolarHBondContact O-CD 3.38Å; P45-N47 PolarHBondContact O-N 3.41Å
46	D	34.6	Very low	34	Very low	147 Å²	147	130.4 Å²	130.4	79%	0.786	67%	0.667	S	S	*	*			trans	-53.5	85.8	172.7	-71.2	-39.1	0	0	0	109.2	V44 D48	V44-D46 PolarHBondContact O-N 3.02Å; D46-D48 PolarHBondContact O-N 3.35Å; D46-D48 VanDerWaalsContact O-N 3.09Å
47	N	35.2	Very low	34.5	Very low	123 Å²	123	128.2 Å²	128.2	66%	0.658	65%	0.653	S	S	*	*			trans	-85.8	38.5	173.5	-150.7	29.2	0	0	0	109.4	P45 M49 V50	P45-N47 PolarHBondContact O-N 3.41Å; N47-M49 PolarHBondContact O-N 3.27Å; N47-V50 PolarHBondContact O-N 2.93Å
48	D	39.6	Very low	35.2	Very low	110 Å²	110	126.3 Å²	126.3	59%	0.588	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	-3.3	170.1	-116.8	2	0	0	0	111	D46 V50 P52	D46-D48 PolarHBondContact O-N 3.35Å; D46-D48 VanDerWaalsContact O-N 3.09Å; D48-V50 PolarHBondContact O-N 3.49Å; D48-P52 WeakPolarHBondContact O-CD 3.46Å
49	M	43.2	Very low	35.8	Very low	152 Å²	152	125 Å²	125	75%	0.749	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	-13.9	173.3	-73.6	-147.3	54.7	0	0	114.5	N47	N47-M49 PolarHBondContact O-N 3.27Å
50	V	43.1	Very low	36.3	Very low	69 Å²	69	125.3 Å²	125.3	42%	0.418	63%	0.631	S	S	.	*	H	α-helix	trans	-82.3	-29.6	178.1	-172.7	0	0	0	0	111.9	N47 D48 Y53 I54	N47-V50 PolarHBondContact O-N 2.93Å; D48-V50 PolarHBondContact O-N 3.49Å; V50-Y53 WeakPolarHBondContact O-CB 3.25Å; V50-Y53 PolarHBondContact O-N 2.97Å; V50-I54 HydrophobicContact CG1-CD1 4.27Å; V50-I54 PolarHBondContact O-N 3.43Å
51	L	39.9	Very low	36.8	Very low	114 Å²	114	121.6 Å²	121.6	60%	0.597	63%	0.626	S	S	*	*	H	α-helix	trans	-69.8	-41.2	-179.6	-82.7	166.9	0	0	0	113.5	Y53 I54 S55	L51-Y53 VanDerWaalsContact C-N 3.26Å; L51-Y53 PolarHBondContact O-N 3.3Å; L51-I54 PolarHBondContact O-N 3.04Å; L51-S55 WeakPolarHBondContact O-CB 3.47Å; L51-S55 PolarHBondContact O-N 3.02Å
52	P	41.5	Very low	37.5	Very low	79 Å²	79	117.6 Å²	117.6	51%	0.513	62%	0.622	S	S	.	*	H	α-helix	trans	-60.1	-35.4	168.6	-23.2	31.7	0	0	0	112.2	D48 S55 H56	D48-P52 WeakPolarHBondContact O-CD 3.46Å; P52-S55 CarbonylContact O-C 3.6Å; P52-S55 WeakPolarHBondContact O-CB 3.38Å; P52-S55 PolarHBondContact O-N 3.35Å; P52-H56 WeakPolarHBondContact O-CB 3.45Å; P52-H56 PolarHBondContact O-N 3.37Å
53	Y	43.4	Very low	38	Very low	119 Å²	119	116.8 Å²	116.8	47%	0.467	62%	0.623	S	S	.	*	H	α-helix	trans	-67.2	-44.1	177.8	-178.9	-102.9	0	0	0	112.3	V50 L51 S55 H56 M57 F441	V50-Y53 WeakPolarHBondContact O-CB 3.25Å; V50-Y53 PolarHBondContact O-N 2.97Å; L51-Y53 VanDerWaalsContact C-N 3.26Å; L51-Y53 PolarHBondContact O-N 3.3Å; Y53-S55 VanDerWaalsContact C-N 3.26Å; Y53-S55 PolarHBondContact O-N 3.18Å; Y53-H56 PolarHBondContact O-N 2.94Å; Y53-M57 HydrophobicContact CE1-CG 4.34Å; Y53-M57 HydrophobicContact CE1-SD 3.62Å; Y53-M57 WeakPolarHBondContact O-CB 3.32Å; Y53-M57 PolarHBondContact O-N 2.79Å; Y53-M57 PolarHBondContact OH-SD 3.29Å; Y53-F441 HydrophobicContact CE2-CZ 4.39Å
54	I	40.9	Very low	38.4	Very low	85 Å²	85	117.4 Å²	117.4	44%	0.436	62%	0.622	S	S	.	*	H	α-helix	trans	-63	-37.7	173	-65	171.2	0	0	0	109.9	V50 L51 L58	V50-I54 HydrophobicContact CG1-CD1 4.27Å; V50-I54 PolarHBondContact O-N 3.43Å; L51-I54 PolarHBondContact O-N 3.04Å; I54-L58 HydrophobicContact CG2-CD1 3.67Å; I54-L58 HydrophobicContact CG2-CG 4.33Å; I54-L58 VanDerWaalsContact O-CB 3.25Å; I54-L58 WeakPolarHBondContact O-CB 3.48Å; I54-L58 WeakPolarHBondContact O-CD1 3.41Å; I54-L58 WeakPolarHBondContact O-CG 2.92Å; I54-L58 PolarHBondContact O-N 2.89Å
55	S	43	Very low	38.7	Very low	64 Å²	64	117.1 Å²	117.1	45%	0.448	62%	0.621	S	S	.	*	H	α-helix	trans	-65.9	-41.3	175	-163.8	0	0	0	0	112.3	L51 P52 Y53 L58 M59	L51-S55 WeakPolarHBondContact O-CB 3.47Å; L51-S55 PolarHBondContact O-N 3.02Å; P52-S55 CarbonylContact O-C 3.6Å; P52-S55 WeakPolarHBondContact O-CB 3.38Å; P52-S55 PolarHBondContact O-N 3.35Å; Y53-S55 VanDerWaalsContact C-N 3.26Å; Y53-S55 PolarHBondContact O-N 3.18Å; S55-L58 PolarHBondContact O-N 3.16Å; S55-M59 VanDerWaalsContact O-CB 3.29Å; S55-M59 WeakPolarHBondContact O-CB 3.39Å; S55-M59 WeakPolarHBondContact O-CG 3.48Å; S55-M59 PolarHBondContact O-N 2.94Å
56	H	38.1	Very low	38.8	Very low	125 Å²	125	117.8 Å²	117.8	58%	0.579	62%	0.619	S	S	*	*	H	α-helix	trans	-71.8	-42.9	-179.4	-133.2	-82.5	0	0	0	111.5	P52 Y53 L58 M59 E60	P52-H56 WeakPolarHBondContact O-CB 3.45Å; P52-H56 PolarHBondContact O-N 3.37Å; Y53-H56 PolarHBondContact O-N 2.94Å; H56-L58 VanDerWaalsContact C-N 3.25Å; H56-L58 PolarHBondContact O-N 3.34Å; H56-M59 CarbonylContact O-C 3.53Å; H56-M59 PolarHBondContact O-N 2.88Å; H56-M59 VanDerWaalsContact O-N 3.12Å; H56-E60 IonicContact ND1-OE1 3.37Å; H56-E60 PolarHBondContact ND1-OE1 2.67Å; H56-E60 WeakPolarHBondContact O-CG 3.45Å; H56-E60 PolarHBondContact O-N 3.01Å
57	M	39.1	Very low	38.8	Very low	115 Å²	115	117 Å²	117	57%	0.567	61%	0.614	S	S	*	*	H	α-helix	trans	-63.1	-30.6	174.3	-103.9	-169.1	62	0	0	113.3	Y53	Y53-M57 HydrophobicContact CE1-CG 4.34Å; Y53-M57 HydrophobicContact CE1-SD 3.62Å; Y53-M57 WeakPolarHBondContact O-CB 3.32Å; Y53-M57 PolarHBondContact O-N 2.79Å; Y53-M57 PolarHBondContact OH-SD 3.29Å
58	L	39.7	Very low	38.9	Very low	124 Å²	124	120 Å²	120	65%	0.649	63%	0.625	S	S	*	*	H	α-helix	trans	-87.3	-13.6	175.9	-69.2	174.6	0	0	0	113.1	I54 S55 H56	I54-L58 HydrophobicContact CG2-CD1 3.67Å; I54-L58 HydrophobicContact CG2-CG 4.33Å; I54-L58 VanDerWaalsContact O-CB 3.25Å; I54-L58 WeakPolarHBondContact O-CB 3.48Å; I54-L58 WeakPolarHBondContact O-CD1 3.41Å; I54-L58 WeakPolarHBondContact O-CG 2.92Å; I54-L58 PolarHBondContact O-N 2.89Å; S55-L58 PolarHBondContact O-N 3.16Å; H56-L58 VanDerWaalsContact C-N 3.25Å; H56-L58 PolarHBondContact O-N 3.34Å
59	M	40.2	Very low	38.7	Very low	133 Å²	133	121.6 Å²	121.6	66%	0.655	63%	0.632	S	S	*	*	H	α-helix	trans	-103.4	-2.8	175.2	-66.1	-139.4	-46.2	0	0	113.4	S55 H56 D61	S55-M59 VanDerWaalsContact O-CB 3.29Å; S55-M59 WeakPolarHBondContact O-CB 3.39Å; S55-M59 WeakPolarHBondContact O-CG 3.48Å; S55-M59 PolarHBondContact O-N 2.94Å; H56-M59 CarbonylContact O-C 3.53Å; H56-M59 PolarHBondContact O-N 2.88Å; H56-M59 VanDerWaalsContact O-N 3.12Å; M59-D61 PolarHBondContact O-N 2.91Å
60	E	35.7	Very low	38.5	Very low	133 Å²	133	118 Å²	118	62%	0.621	62%	0.615	S	S	*	*			trans	-76.2	26.7	166	-79.5	175.6	-157.4	0	0	112.7	H56 D62	H56-E60 IonicContact ND1-OE1 3.37Å; H56-E60 PolarHBondContact ND1-OE1 2.67Å; H56-E60 WeakPolarHBondContact O-CG 3.45Å; H56-E60 PolarHBondContact O-N 3.01Å; E60-D62 PolarHBondContact O-N 3.31Å
61	D	37.8	Very low	38.3	Very low	129 Å²	129	119.4 Å²	119.4	69%	0.69	63%	0.628	S	S	*	*	S	Bend	trans	-80.1	106.8	156.8	-76.9	-25.9	0	0	0	107.5	M59	M59-D61 PolarHBondContact O-N 2.91Å
62	D	37.6	Very low	38.5	Very low	148 Å²	148	116.8 Å²	116.8	79%	0.791	62%	0.615	S	S	*	*			trans	78.6	34.2	155.6	-55.7	-33.3	0	0	0	120.5	E60 D64	E60-D62 PolarHBondContact O-N 3.31Å; D62-D64 PolarHBondContact O-N 3.03Å; D62-D64 VanDerWaalsContact O-N 3.17Å
63	D	36.9	Very low	39	Very low	138 Å²	138	115.3 Å²	115.3	74%	0.738	60%	0.602	S	S	*	*			trans	-81.4	92.6	162.8	-76.4	-30.2	0	0	0	111.1	V65	D63-V65 PolarHBondContact O-N 2.9Å
64	D	36.1	Very low	39.4	Very low	142 Å²	142	113.7 Å²	113.7	76%	0.759	61%	0.606	S	S	*	*			trans	33.2	62.2	140.7	-61.4	-35.6	0	0	0	116.3	D62 D66	D62-D64 PolarHBondContact O-N 3.03Å; D62-D64 VanDerWaalsContact O-N 3.17Å; D64-D66 PolarHBondContact O-N 3.5Å
65	V	36.1	Very low	40	Very low	111 Å²	111	113.1 Å²	113.1	67%	0.673	61%	0.607	S	S	*	*			trans	-66	97.2	145.5	-179.3	0	0	0	0	104.2	D63 D67 I70	D63-V65 PolarHBondContact O-N 2.9Å; V65-D67 VanDerWaalsContact C-N 3.32Å; V65-D67 PolarHBondContact O-N 3.32Å; V65-I70 HydrophobicContact CG1-CD1 3.94Å
66	D	34.1	Very low	40.1	Very low	114 Å²	114	110.4 Å²	110.4	61%	0.61	59%	0.587	S	S	*	*			trans	-32	93.6	178.8	-69	-51.8	0	0	0	111	D64 E68 L69	D64-D66 PolarHBondContact O-N 3.5Å; D66-E68 PolarHBondContact O-N 2.71Å; D66-L69 PolarHBondContact O-N 2.96Å
67	D	33.4	Very low	40.9	Very low	130 Å²	130	108.7 Å²	108.7	70%	0.695	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-62.7	-13.2	179.6	-96.2	-27	0	0	0	110	V65 L69 I70	V65-D67 VanDerWaalsContact C-N 3.32Å; V65-D67 PolarHBondContact O-N 3.32Å; D67-L69 PolarHBondContact O-N 2.78Å; D67-I70 PolarHBondContact O-N 3.23Å
68	E	36.9	Very low	41.5	Very low	187 Å²	187	110 Å²	110	87%	0.874	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-62.6	-18.3	171.2	-68.4	-160.3	159.2	0	0	114	D66	D66-E68 PolarHBondContact O-N 2.71Å
69	L	36.3	Very low	41.7	Very low	142 Å²	142	105.9 Å²	105.9	74%	0.743	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-106.5	-2.1	174.4	-91.5	147.8	0	0	0	114.6	D66 D67	D66-L69 PolarHBondContact O-N 2.96Å; D67-L69 PolarHBondContact O-N 2.78Å
70	I	38.1	Very low	42.3	Very low	77 Å²	77	102.5 Å²	102.5	40%	0.395	55%	0.549	S	S	.	.			trans	-108.1	39.8	170.7	-41.5	-179.3	0	0	0	109.6	V65 D67 D72	V65-I70 HydrophobicContact CG1-CD1 3.94Å; D67-I70 PolarHBondContact O-N 3.23Å; I70-D72 PolarHBondContact O-N 3.45Å
71	S	39.3	Very low	42.9	Very low	98 Å²	98	101.4 Å²	101.4	69%	0.685	54%	0.544	S	S	*	.			trans	-63.6	107.8	159.5	-168.8	0	0	0	0	107.3	D73	S71-D73 PolarHBondContact O-N 3.2Å; S71-D73 VanDerWaalsContact O-N 3.13Å
72	D	44.9	Very low	43.1	Very low	60 Å²	60	97.2 Å²	97.2	32%	0.321	52%	0.524	S	S	.	.			trans	-58.2	120.5	173	-81.5	-33.8	0	0	0	108.9	I70 L77 R535	I70-D72 PolarHBondContact O-N 3.45Å; D72-L77 HydrophobicContact CB-CD1 3.94Å; D72-L77 HydrophobicContact CB-CD2 3.72Å; D72-L77 HydrophobicContact CB-CG 3.61Å; D72-R535 IonicContact OD1-CZ 3.72Å; D72-R535 IonicContact OD1-NH1 3.19Å; D72-R535 PolarHBondContact OD1-NH1 3.34Å; D72-R535 IonicContact OD1-NH2 3.3Å; D72-R535 PolarHBondContact OD1-NH2 2.92Å
73	D	50.5	Low	43.3	Very low	47 Å²	47	91.7 Å²	91.7	25%	0.251	49%	0.493	S	S	.	.			trans	-46.9	128	176.1	-176.2	-76.2	0	0	0	109.3	S71 T75 L76 L77	S71-D73 PolarHBondContact O-N 3.2Å; S71-D73 VanDerWaalsContact O-N 3.13Å; D73-T75 PolarHBondContact O-N 2.93Å; D73-T75 WeakPolarHBondContact OD1-CA 3.36Å; D73-T75 WeakPolarHBondContact OD1-CB 3.44Å; D73-T75 PolarHBondContact OD1-N 3.1Å; D73-T75 PolarHBondContact OD1-OG1 3.32Å; D73-L76 HydrophobicContact CB-CB 4.38Å; D73-L76 WeakPolarHBondContact O-CA 3.17Å; D73-L76 WeakPolarHBondContact O-CB 3.17Å; D73-L76 PolarHBondContact O-N 3.36Å; D73-L77 PolarHBondContact O-N 3.31Å; D73-L77 VanDerWaalsContact O-N 3.09Å
74	P	53.5	Low	43.8	Very low	85 Å²	85	87.2 Å²	87.2	55%	0.552	48%	0.475	S	S	*	.	H	α-helix	trans	-53.6	-29.2	-176.8	-26.6	32.9	0	0	0	113.1	Q78	P74-Q78 WeakPolarHBondContact O-CB 3.43Å; P74-Q78 WeakPolarHBondContact O-CG 3.44Å; P74-Q78 PolarHBondContact O-N 2.91Å
75	T	53.6	Low	44	Very low	73 Å²	73	86 Å²	86	45%	0.448	47%	0.465	S	S	.	.	H	α-helix	trans	-66.2	-43.9	174.8	-40.3	0	0	0	0	110.6	D73 Q78 V79	D73-T75 PolarHBondContact O-N 2.93Å; D73-T75 WeakPolarHBondContact OD1-CA 3.36Å; D73-T75 WeakPolarHBondContact OD1-CB 3.44Å; D73-T75 PolarHBondContact OD1-N 3.1Å; D73-T75 PolarHBondContact OD1-OG1 3.32Å; T75-Q78 PolarHBondContact O-N 2.99Å; T75-V79 WeakPolarHBondContact O-CB 3.18Å; T75-V79 WeakPolarHBondContact O-CG2 3.45Å; T75-V79 PolarHBondContact O-N 3.46Å
76	L	45.3	Very low	44.5	Very low	7 Å²	7	84.6 Å²	84.6	4%	0.037	45%	0.453	C	S	.	.	H	α-helix	trans	-66.2	-41.5	177.4	-170.5	66.5	0	0	0	111.6	D73 V79 Q80 Y534 L581 A588	D73-L76 HydrophobicContact CB-CB 4.38Å; D73-L76 WeakPolarHBondContact O-CA 3.17Å; D73-L76 WeakPolarHBondContact O-CB 3.17Å; D73-L76 PolarHBondContact O-N 3.36Å; L76-V79 PolarHBondContact O-N 3.26Å; L76-Q80 HydrophobicContact CG-CG 4.5Å; L76-Q80 WeakPolarHBondContact O-CB 3.25Å; L76-Q80 WeakPolarHBondContact O-CG 3.45Å; L76-Q80 PolarHBondContact O-N 3.45Å; L76-Y534 WeakPolarHBondContact CD2-OH 3.23Å; L76-L581 HydrophobicContact CD1-CD1 3.87Å; L76-A588 HydrophobicContact CD1-CB 4.27Å
77	L	53.2	Low	44.8	Very low	89 Å²	89	83.1 Å²	83.1	47%	0.466	45%	0.445	S	S	.	.	H	α-helix	trans	-62.4	-45.1	175.8	-72.6	174.6	0	0	0	112.1	D72 D73 V79 Q80 Q81	D72-L77 HydrophobicContact CB-CD1 3.94Å; D72-L77 HydrophobicContact CB-CD2 3.72Å; D72-L77 HydrophobicContact CB-CG 3.61Å; D73-L77 PolarHBondContact O-N 3.31Å; D73-L77 VanDerWaalsContact O-N 3.09Å; L77-V79 VanDerWaalsContact C-N 3.28Å; L77-V79 PolarHBondContact O-N 2.86Å; L77-Q80 PolarHBondContact O-N 3.18Å; L77-Q81 PolarHBondContact O-N 2.85Å
78	Q	52.2	Low	45.1	Very low	142 Å²	142	81 Å²	81	66%	0.664	44%	0.44	S	S	*	.	H	α-helix	trans	-62.3	-38.5	175.7	-80.9	-175.9	19	0	0	112.1	P74 T75	P74-Q78 WeakPolarHBondContact O-CB 3.43Å; P74-Q78 WeakPolarHBondContact O-CG 3.44Å; P74-Q78 PolarHBondContact O-N 2.91Å; T75-Q78 PolarHBondContact O-N 2.99Å
79	V	45.1	Very low	44.7	Very low	38 Å²	38	76.4 Å²	76.4	23%	0.23	43%	0.428	C	S	.	.	H	α-helix	trans	-67.7	-40.6	178.2	170.9	0	0	0	0	110.5	T75 L76 L77 P82 M572 G586	T75-V79 WeakPolarHBondContact O-CB 3.18Å; T75-V79 WeakPolarHBondContact O-CG2 3.45Å; T75-V79 PolarHBondContact O-N 3.46Å; L76-V79 PolarHBondContact O-N 3.26Å; L77-V79 VanDerWaalsContact C-N 3.28Å; L77-V79 PolarHBondContact O-N 2.86Å; V79-P82 VanDerWaalsContact O-CD 3.26Å; V79-P82 WeakPolarHBondContact O-CD 3.39Å; V79-M572 HydrophobicContact CG1-CE 3.49Å; V79-M572 VanDerWaalsContact CG1-CE 3.49Å; V79-M572 HydrophobicContact CG1-SD 3.28Å; V79-M572 WeakPolarHBondContact CG1-SD 3.29Å; V79-G586 CarbonylContact C-O 3.52Å; V79-G586 WeakPolarHBondContact CG1-O 3.46Å; V79-G586 CarbonylContact O-C 3.55Å; V79-G586 WeakPolarHBondContact O-CA 3.36Å
80	Q	51.7	Low	44.4	Very low	62 Å²	62	75.2 Å²	75.2	29%	0.29	43%	0.429	S	S	.	.	H	α-helix	trans	-78.6	-17.6	-179.8	-69.7	179.9	9.3	0	0	115	L76 L77 P82 F83 A84 G586	L76-Q80 HydrophobicContact CG-CG 4.5Å; L76-Q80 WeakPolarHBondContact O-CB 3.25Å; L76-Q80 WeakPolarHBondContact O-CG 3.45Å; L76-Q80 PolarHBondContact O-N 3.45Å; L77-Q80 PolarHBondContact O-N 3.18Å; Q80-P82 VanDerWaalsContact C-CD 3.41Å; Q80-F83 WeakPolarHBondContact O-CA 3.5Å; Q80-F83 WeakPolarHBondContact O-CB 3.34Å; Q80-F83 PolarHBondContact O-N 3.49Å; Q80-A84 PolarHBondContact O-N 3.47Å; Q80-G586 VanDerWaalsContact CA-O 3.26Å; Q80-G586 WeakPolarHBondContact CA-O 3.37Å; Q80-G586 WeakPolarHBondContact CG-O 3.23Å; Q80-G586 PolarHBondContact N-O 3.43Å
81	Q	48.3	Very low	44.2	Very low	110 Å²	110	76.6 Å²	76.6	51%	0.514	45%	0.446	S	S	.	.	H	α-helix	trans	-52.1	-42.5	-175	-158.1	-172.3	23.6	0	0	114.8	L77 F83 A84 Q85	L77-Q81 PolarHBondContact O-N 2.85Å; Q81-F83 VanDerWaalsContact C-N 3.28Å; Q81-F83 PolarHBondContact O-N 2.89Å; Q81-A84 PolarHBondContact O-N 3.43Å; Q81-Q85 WeakPolarHBondContact O-CG 3.25Å; Q81-Q85 PolarHBondContact O-N 3.35Å
82	P	43.1	Very low	43.5	Very low	41 Å²	41	77.9 Å²	77.9	27%	0.266	46%	0.455	S	S	.	.	H	α-helix	trans	-62.3	-35.8	176.9	-21.3	34.4	0	0	0	112.5	V79 Q80 I86	V79-P82 VanDerWaalsContact O-CD 3.26Å; V79-P82 WeakPolarHBondContact O-CD 3.39Å; Q80-P82 VanDerWaalsContact C-CD 3.41Å; P82-I86 WeakPolarHBondContact O-CG1 3.13Å; P82-I86 PolarHBondContact O-N 2.94Å
83	F	41.1	Very low	42.8	Very low	32 Å²	32	82 Å²	82	14%	0.14	48%	0.476	C	S	.	.	H	α-helix	trans	-72.7	-42.9	177.9	-170.2	-98.8	0	0	0	111.4	Q80 Q81 Q85 I86 L87	Q80-F83 WeakPolarHBondContact O-CA 3.5Å; Q80-F83 WeakPolarHBondContact O-CB 3.34Å; Q80-F83 PolarHBondContact O-N 3.49Å; Q81-F83 VanDerWaalsContact C-N 3.28Å; Q81-F83 PolarHBondContact O-N 2.89Å; F83-Q85 VanDerWaalsContact C-N 3.26Å; F83-Q85 PolarHBondContact O-N 3.42Å; F83-I86 WeakPolarHBondContact O-CB 3.23Å; F83-I86 PolarHBondContact O-N 3.16Å; F83-L87 HydrophobicContact CD1-CD1 3.98Å; F83-L87 HydrophobicContact CD1-CG 4.16Å; F83-L87 HydrophobicContact CE1-CD1 3.62Å; F83-L87 HydrophobicContact CE1-CD2 4.07Å; F83-L87 HydrophobicContact CE1-CG 3.87Å; F83-L87 HydrophobicContact CZ-CD2 4.17Å; F83-L87 HydrophobicContact CZ-CG 4.42Å; F83-L87 WeakPolarHBondContact O-CG 3.4Å; F83-L87 PolarHBondContact O-N 3.11Å
84	A	46.9	Very low	41.7	Very low	45 Å²	45	82.8 Å²	82.8	37%	0.372	50%	0.495	S	S	.	.	H	α-helix	trans	-57.5	-39.7	174	0	0	0	0	0	111.7	Q80 Q81 I86 L87 S88	Q80-A84 PolarHBondContact O-N 3.47Å; Q81-A84 PolarHBondContact O-N 3.43Å; A84-I86 VanDerWaalsContact C-N 3.34Å; A84-I86 PolarHBondContact O-N 2.82Å; A84-L87 PolarHBondContact O-N 2.81Å; A84-S88 WeakPolarHBondContact O-CB 3.49Å; A84-S88 PolarHBondContact O-N 2.94Å; A84-S88 PolarHBondContact O-OG 3.13Å
85	Q	41.7	Very low	40.2	Very low	115 Å²	115	85.3 Å²	85.3	54%	0.537	51%	0.509	S	S	.	.	H	α-helix	trans	-65.2	-35	175.5	-71.4	173.9	6.6	0	0	113.2	Q81 F83 L87 S89	Q81-Q85 WeakPolarHBondContact O-CG 3.25Å; Q81-Q85 PolarHBondContact O-N 3.35Å; F83-Q85 VanDerWaalsContact C-N 3.26Å; F83-Q85 PolarHBondContact O-N 3.42Å; Q85-L87 VanDerWaalsContact C-N 3.31Å; Q85-S89 PolarHBondContact O-N 2.9Å; Q85-S89 PolarHBondContact O-OG 3.33Å
86	I	46.3	Very low	38.6	Very low	82 Å²	82	89.7 Å²	89.7	42%	0.421	53%	0.53	S	S	.	.	H	α-helix	trans	-64.2	-39.6	173.2	-67	164.9	0	0	0	110.3	P82 F83 A84	P82-I86 WeakPolarHBondContact O-CG1 3.13Å; P82-I86 PolarHBondContact O-N 2.94Å; F83-I86 WeakPolarHBondContact O-CB 3.23Å; F83-I86 PolarHBondContact O-N 3.16Å; A84-I86 VanDerWaalsContact C-N 3.34Å; A84-I86 PolarHBondContact O-N 2.82Å
87	L	40.7	Very low	37.5	Very low	84 Å²	84	94.8 Å²	94.8	44%	0.44	56%	0.561	S	S	.	*	H	α-helix	trans	-72.7	-38.2	178.1	-63.5	-173.7	0	0	0	113.3	F83 A84 Q85 F484	F83-L87 HydrophobicContact CD1-CD1 3.98Å; F83-L87 HydrophobicContact CD1-CG 4.16Å; F83-L87 HydrophobicContact CE1-CD1 3.62Å; F83-L87 HydrophobicContact CE1-CD2 4.07Å; F83-L87 HydrophobicContact CE1-CG 3.87Å; F83-L87 HydrophobicContact CZ-CD2 4.17Å; F83-L87 HydrophobicContact CZ-CG 4.42Å; F83-L87 WeakPolarHBondContact O-CG 3.4Å; F83-L87 PolarHBondContact O-N 3.11Å; A84-L87 PolarHBondContact O-N 2.81Å; Q85-L87 VanDerWaalsContact C-N 3.31Å; L87-F484 HydrophobicContact CD1-CE1 4.16Å; L87-F484 HydrophobicContact CD2-CD1 4.12Å; L87-F484 HydrophobicContact CD2-CE1 3.52Å; L87-F484 HydrophobicContact CD2-CZ 4.4Å; L87-F484 HydrophobicContact CG-CE1 4.49Å
88	S	37.7	Very low	35.9	Very low	86 Å²	86	96.3 Å²	96.3	60%	0.601	58%	0.575	S	S	*	*	H	α-helix	trans	-88.1	-1.9	-171.9	-56	0	0	0	0	114.1	A84 P90	A84-S88 WeakPolarHBondContact O-CB 3.49Å; A84-S88 PolarHBondContact O-N 2.94Å; A84-S88 PolarHBondContact O-OG 3.13Å; S88-P90 WeakPolarHBondContact O-CD 3.36Å; S88-P90 WeakPolarHBondContact O-CG 3.39Å; S88-P90 VanDerWaalsContact O-N 3.09Å
89	S	28.5	Very low	34.6	Very low	89 Å²	89	95.1 Å²	95.1	62%	0.622	58%	0.582	S	S	*	*			trans	-66.6	105	179.2	-70	0	0	0	0	109.9	Q85	Q85-S89 PolarHBondContact O-N 2.9Å; Q85-S89 PolarHBondContact O-OG 3.33Å
90	P	30	Very low	33.5	Very low	118 Å²	118	99.8 Å²	99.8	77%	0.766	61%	0.606	S	S	*	*			trans	-77.9	134.5	-178.3	-3.3	23.3	0	0	0	108.5	S88 S92	S88-P90 WeakPolarHBondContact O-CD 3.36Å; S88-P90 WeakPolarHBondContact O-CG 3.39Å; S88-P90 VanDerWaalsContact O-N 3.09Å; P90-S92 PolarHBondContact O-N 2.92Å
91	S	34.2	Very low	32.2	Very low	105 Å²	105	106.1 Å²	106.1	73%	0.734	64%	0.638	S	S	*	*			trans	-28.9	92.8	162.9	-47.4	0	0	0	0	114	L93	S91-L93 PolarHBondContact O-N 2.76Å; S91-L93 VanDerWaalsContact O-N 3.08Å
92	S	25.4	Very low	31	Very low	125 Å²	125	109 Å²	109	87%	0.874	65%	0.651	S	S	*	*			trans	-81	60.9	155.8	65.2	0	0	0	0	108.2	P90	P90-S92 PolarHBondContact O-N 2.92Å
93	L	30.3	Very low	29.9	Very low	147 Å²	147	110.8 Å²	110.8	77%	0.77	68%	0.676	S	S	*	*			trans	-90.1	109	175.1	-86.3	160.5	0	0	0	107.8	S91	S91-L93 PolarHBondContact O-N 2.76Å; S91-L93 VanDerWaalsContact O-N 3.08Å
94	G	26.1	Very low	29	Very low	64 Å²	64	116 Å²	116	66%	0.66	72%	0.715	S	S	*	*			trans	-55.2	145.9	-173	0	0	0	0	0	113.7	N96	G94-N96 PolarHBondContact O-N 2.77Å
95	T	22.8	Very low	27.8	Very low	138 Å²	138	124.9 Å²	124.9	85%	0.847	74%	0.739	S	S	*	*			trans	-41.5	123.3	167	38.7	0	0	0	0	113
96	N	20.6	Very low	26.8	Very low	165 Å²	165	130 Å²	130	88%	0.882	75%	0.754	S	S	*	*			trans	-49.9	133.7	166	-72.6	-33.4	0	0	0	111.9	G94	G94-N96 PolarHBondContact O-N 2.77Å
97	T	21.7	Very low	25.8	Very low	113 Å²	113	134.1 Å²	134.1	69%	0.693	77%	0.771	S	S	*	*			trans	-146.9	111.4	157.4	-39	0	0	0	0	109.7
98	T	20.3	Very low	24.9	Very low	121 Å²	121	141.3 Å²	141.3	74%	0.742	79%	0.792	S	S	*	*			trans	52.7	118.5	146.5	63.8	0	0	0	0	119.8
99	S	24	Very low	24.5	Very low	117 Å²	117	143.1 Å²	143.1	82%	0.818	80%	0.802	S	S	*	*				166.1	135.4	94.9	50.6	0	0	0	0	112.3
100	N	21.8	Very low	24.3	Very low	136 Å²	136	146.7 Å²	146.7	73%	0.727	82%	0.815	S	S	*	*			trans	-33.6	128.1	164.9	-103.8	-3.7	0	0	0	114.9
101	M	24.7	Very low	24.2	Very low	195 Å²	195	144.6 Å²	144.6	96%	0.961	81%	0.814	S	S	*	*			trans	-128.4	97.2	145.4	-91	-155.3	-173.3	0	0	109.1
102	E	22.1	Very low	23.7	Very low	172 Å²	172	145.1 Å²	145.1	80%	0.804	82%	0.818	S	S	*	*			trans	-76.3	141.3	163	-71.6	175.6	132.1	0	0	110.2
103	G	21.9	Very low	23.6	Very low	77 Å²	77	147.2 Å²	147.2	79%	0.794	82%	0.818	S	S	*	*			trans	92.6	92.3	141.1	0	0	0	0	0	117.7
104	C	22.1	Very low	23.3	Very low	142 Å²	142	149.3 Å²	149.3	96%	0.959	82%	0.824	S	S	*	*			trans	-132.7	109.3	143.5	-128.3	0	0	0	0	110.3
105	R	20.4	Very low	23.2	Very low	231 Å²	231	155.7 Å²	155.7	87%	0.872	84%	0.837	S	S	*	*			trans	-101.9	157.8	178	-128.6	-177.7	-166.5	-169.8	4.1	107.7
106	R	21	Very low	23.3	Very low	222 Å²	222	153.9 Å²	153.9	84%	0.838	84%	0.836	S	S	*	*			trans	94.1	134.2	171.6	-57.4	174.7	-172.6	-153.9	1.8	112
107	Q	26.1	Very low	23.4	Very low	169 Å²	169	149.8 Å²	149.8	79%	0.79	83%	0.833	S	S	*	*			cis	-163.1	146.7	30.5	-120.8	153.8	36.1	0	0	109.5
108	R	21.6	Very low	23.4	Very low	235 Å²	235	153.2 Å²	153.2	89%	0.887	85%	0.846	S	S	*	*			trans	-84.3	148.5	165.3	-72.8	179.8	172.2	-175.3	-3.2	109.9
109	P	29.4	Very low	23.5	Very low	124 Å²	124	151.4 Å²	151.4	81%	0.805	85%	0.851	S	S	*	*			trans	-128.7	139.7	142.5	29.3	-13.1	0	0	0	112.6
110	N	23.7	Very low	23.5	Very low	165 Å²	165	153.6 Å²	153.6	88%	0.882	85%	0.848	S	S	*	*			trans	-63.9	131.1	175.7	-68.9	-29.7	0	0	0	111.5
111	G	27.4	Very low	23.7	Very low	73 Å²	73	150.7 Å²	150.7	75%	0.753	85%	0.85	S	S	*	*			trans	-123.6	113.5	165.8	0	0	0	0	0	109.3
112	S	25	Very low	23.6	Very low	116 Å²	116	147 Å²	147	81%	0.811	84%	0.835	S	S	*	*			trans	-66.4	125.5	-177.5	45.8	0	0	0	0	112.7
113	L	22.6	Very low	23.8	Very low	170 Å²	170	146.5 Å²	146.5	89%	0.89	84%	0.837	S	S	*	*			trans	-66.9	121.5	169.6	-122.4	92.1	0	0	0	109.9
114	Q	24.8	Very low	24.1	Very low	191 Å²	191	152.1 Å²	152.1	89%	0.893	84%	0.843	S	S	*	*			trans	-106.3	125	160.6	-88.2	179.6	11.2	0	0	109.2
115	Q	22.5	Very low	24.1	Very low	197 Å²	197	155.1 Å²	155.1	92%	0.921	84%	0.843	S	S	*	*			trans	-89.1	106.7	-171.9	-159.8	171.6	19.5	0	0	107.3
116	A	25.1	Very low	24.3	Very low	101 Å²	101	149.7 Å²	149.7	84%	0.835	84%	0.84	S	S	*	*			trans	-101	130.1	174.7	0	0	0	0	0	109.7
117	G	23.5	Very low	24.6	Very low	79 Å²	79	143.5 Å²	143.5	81%	0.814	84%	0.837	S	S	*	*			trans	-66.1	152.8	-162.6	0	0	0	0	0	116.6
118	L	21.9	Very low	24.5	Very low	185 Å²	185	144.1 Å²	144.1	97%	0.969	85%	0.845	S	S	*	*			trans	-72.1	115.8	177.8	-62.6	158.2	0	0	0	110.1
119	G	22.3	Very low	24.7	Very low	83 Å²	83	138.5 Å²	138.5	86%	0.856	84%	0.841	S	S	*	*			trans	-98.4	111.2	169.9	0	0	0	0	0	110.1
120	H	23.4	Very low	24.4	Very low	162 Å²	162	138.3 Å²	138.3	75%	0.75	84%	0.843	S	S	*	*			trans	-83.5	125.7	173.7	179.7	55.3	0	0	0	108.7	D122	H120-D122 IonicContact CE1-OD1 3.42Å; H120-D122 PolarHBondContact CE1-OD1 2.85Å; H120-D122 IonicContact CE1-OD2 3.24Å; H120-D122 PolarHBondContact CE1-OD2 3.43Å; H120-D122 VanDerWaalsContact CE1-OD2 3.24Å; H120-D122 IonicContact NE2-OD2 3.28Å; H120-D122 PolarHBondContact NE2-OD2 3.42Å
121	G	25.3	Very low	24.6	Very low	75 Å²	75	134.8 Å²	134.8	77%	0.773	84%	0.836	S	S	*	*			trans	-145	90.3	175.6	0	0	0	0	0	108.6
122	D	23.5	Very low	24.4	Very low	119 Å²	119	142 Å²	142	64%	0.636	84%	0.842	S	S	*	*			trans	-69.9	120.7	163.5	-64.7	-38.4	0	0	0	107.6	H120	H120-D122 IonicContact CE1-OD1 3.42Å; H120-D122 PolarHBondContact CE1-OD1 2.85Å; H120-D122 IonicContact CE1-OD2 3.24Å; H120-D122 PolarHBondContact CE1-OD2 3.43Å; H120-D122 VanDerWaalsContact CE1-OD2 3.24Å; H120-D122 IonicContact NE2-OD2 3.28Å; H120-D122 PolarHBondContact NE2-OD2 3.42Å
123	D	26.3	Very low	24.5	Very low	160 Å²	160	146.7 Å²	146.7	86%	0.856	85%	0.848	S	S	*	*			trans	170.5	92.8	154.3	-87.5	-27	0	0	0	108.4
124	E	27.3	Very low	24.8	Very low	196 Å²	196	142.6 Å²	142.6	92%	0.916	85%	0.847	S	S	*	*			trans	-171	47.4	153.2	-110.7	173.9	-171.2	0	0	114.3
125	Q	23.2	Very low	24.8	Very low	204 Å²	204	137.1 Å²	137.1	95%	0.953	84%	0.842	S	S	*	*			trans	-96.7	17.4	171.1	-119.9	170.8	30.3	0	0	114.3
126	S	25.3	Very low	25	Very low	117 Å²	117	132.1 Å²	132.1	82%	0.818	83%	0.834	S	S	*	*			trans	-107.9	2.5	-169.4	-170	0	0	0	0	117.2
127	A	26.3	Very low	25.3	Very low	92 Å²	92	137.5 Å²	137.5	76%	0.76	84%	0.839	S	S	*	*	S	Bend	trans	-105.3	-0.8	-172.2	0	0	0	0	0	116.8
128	L	24.6	Very low	25.7	Very low	183 Å²	183	137.3 Å²	137.3	96%	0.958	84%	0.836	S	S	*	*	S	Bend	trans	-91.2	8.9	-171.8	-80	170.2	0	0	0	116.8
129	S	24.3	Very low	26.1	Very low	117 Å²	117	140.1 Å²	140.1	82%	0.818	83%	0.834	S	S	*	*	S	Bend	trans	-115.3	1.7	-168.7	-168.5	0	0	0	0	118.5
130	S	24.6	Very low	26.9	Very low	119 Å²	119	141.9 Å²	141.9	83%	0.832	83%	0.83	S	S	*	*			trans	-103.7	5.1	-171	71.3	0	0	0	0	117.8
131	A	26.5	Very low	27.4	Very low	91 Å²	91	140.1 Å²	140.1	75%	0.752	83%	0.831	S	S	*	*	S	Bend	trans	-92.2	-1.8	-171.3	0	0	0	0	0	117.1
132	Y	24	Very low	27.9	Very low	224 Å²	224	144.7 Å²	144.7	88%	0.878	84%	0.835	S	S	*	*	S	Bend	trans	-120.1	79.5	179.5	-73.2	-82.8	0	0	0	111.9
133	K	26.4	Very low	28.7	Very low	216 Å²	216	144.3 Å²	144.3	94%	0.939	84%	0.837	S	S	*	*			trans	-178.8	114.3	152.6	-100.8	156.4	-169.8	-174.3	0	111.8
134	G	29	Very low	29.6	Very low	83 Å²	83	146.3 Å²	146.3	86%	0.856	84%	0.838	S	S	*	*			trans	153.2	109.2	167.8	0	0	0	0	0	109
135	G	24.7	Very low	30.7	Very low	77 Å²	77	146 Å²	146	79%	0.794	83%	0.834	S	S	*	*			cis	102.1	78.7	29.3	0	0	0	0	0	109.9
136	A	28.1	Very low	32.1	Very low	91 Å²	91	145.1 Å²	145.1	75%	0.752	83%	0.83	S	S	*	*			trans	51	124	151.1	0	0	0	0	0	121.9
137	K	31.1	Very low	33.6	Very low	215 Å²	215	144.5 Å²	144.5	94%	0.935	81%	0.814	S	S	*	*			trans	67.9	86.3	139.6	-63	179.6	-179.5	-179.1	0	118.4
138	G	32.5	Very low	35.6	Very low	74 Å²	74	146 Å²	146	76%	0.763	81%	0.805	S	S	*	*			trans	-137.3	123	153.9	0	0	0	0	0	109.9
139	R	30.7	Very low	37.7	Very low	245 Å²	245	142.5 Å²	142.5	93%	0.925	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-67.3	124.1	176.6	-165.7	179.1	-171.1	-178.6	2.1	108	T141	R139-T141 PolarHBondContact O-N 3.27Å
140	P	37.7	Very low	39.9	Very low	119 Å²	119	141.1 Å²	141.1	77%	0.773	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-72.9	116.9	-174.5	27.1	-30.8	0	0	0	109.7	M142	P140-M142 PolarHBondContact O-N 2.75Å
141	T	34.8	Very low	42	Very low	126 Å²	126	138.6 Å²	138.6	77%	0.773	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-61.4	116.5	163.1	-48.5	0	0	0	0	107.2	R139 T143	R139-T141 PolarHBondContact O-N 3.27Å; T141-T143 VanDerWaalsContact C-N 3.28Å; T141-T143 PolarHBondContact O-N 2.85Å
142	M	36.3	Very low	44.6	Very low	171 Å²	171	139.5 Å²	139.5	84%	0.842	74%	0.736	S	S	*	*			trans	-64.2	89.5	173.2	-79	-81.1	-101.5	0	0	108.4	P140 F144	P140-M142 PolarHBondContact O-N 2.75Å; M142-F144 PolarHBondContact O-N 3.26Å
143	T	38.9	Very low	47.4	Very low	111 Å²	111	135.9 Å²	135.9	68%	0.681	72%	0.721	S	S	*	*			trans	-68.7	113.6	162.9	40.2	0	0	0	0	106.5	T141 K145	T141-T143 VanDerWaalsContact C-N 3.28Å; T141-T143 PolarHBondContact O-N 2.85Å; T143-K145 VanDerWaalsContact C-N 3.25Å; T143-K145 PolarHBondContact O-N 2.81Å
144	F	44.5	Very low	50.1	Low	201 Å²	201	125.9 Å²	125.9	88%	0.882	68%	0.679	S	S	*	*			trans	-61.3	96.7	165.1	-73.4	-88.9	0	0	0	106.3	M142 E146	M142-F144 PolarHBondContact O-N 3.26Å; F144-E146 PolarHBondContact O-N 3.31Å; F144-E146 VanDerWaalsContact O-N 3.13Å
145	K	50.7	Low	52.8	Low	191 Å²	191	123 Å²	123	83%	0.83	65%	0.645	S	S	*	*			trans	-63.2	114.2	166.1	-75.9	-174.8	174.4	-175.9	0	105.7	T143 E147	T143-K145 VanDerWaalsContact C-N 3.25Å; T143-K145 PolarHBondContact O-N 2.81Å; K145-E147 PolarHBondContact O-N 2.7Å
146	E	52.5	Low	55.9	Low	185 Å²	185	124.5 Å²	124.5	86%	0.864	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-55.6	130.1	166.5	-72	-176.2	158.1	0	0	107.7	F144 E148	F144-E146 PolarHBondContact O-N 3.31Å; F144-E146 VanDerWaalsContact O-N 3.13Å; E146-E148 PolarHBondContact O-N 3.41Å
147	E	58.1	Low	58.8	Low	103 Å²	103	122.3 Å²	122.3	48%	0.481	61%	0.607	S	S	.	*	P	Polyproline II helix	trans	-58.5	133.3	174.8	-75.1	-175.8	171.8	0	0	109	K145	K145-E147 PolarHBondContact O-N 2.7Å
148	E	67.8	Low	61.6	Low	125 Å²	125	113 Å²	113	58%	0.584	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-59.6	145.9	175.6	-71.4	-170.5	171.4	0	0	110.3	E146 E150 E151 K152	E146-E148 PolarHBondContact O-N 3.41Å; E148-E150 PolarHBondContact O-N 3.38Å; E148-E151 PolarHBondContact O-N 2.72Å; E148-K152 PolarHBondContact O-N 3.5Å
149	P	69.4	Low	64.4	Low	109 Å²	109	112.2 Å²	112.2	71%	0.708	54%	0.544	S	S	*	.	H	α-helix	trans	-56.7	-31.3	-173.1	20.6	-33	0	0	0	113.5	R153	P149-R153 WeakPolarHBondContact O-CB 3.35Å; P149-R153 PolarHBondContact O-N 3.22Å; P149-R153 VanDerWaalsContact O-N 3.12Å
150	E	68.9	Low	67.4	Low	88 Å²	88	105.2 Å²	105.2	41%	0.411	52%	0.522	S	S	.	.	H	α-helix	trans	-75.7	-37.6	175.8	-67.1	-158.2	143.4	0	0	113.6	E148 K152 R153 G154 S280	E148-E150 PolarHBondContact O-N 3.38Å; E150-K152 VanDerWaalsContact C-N 3.33Å; E150-R153 PolarHBondContact O-N 2.95Å; E150-G154 PolarHBondContact O-N 2.85Å; E150-S280 WeakPolarHBondContact OE2-CA 3.4Å; E150-S280 WeakPolarHBondContact OE2-CB 3.47Å; E150-S280 PolarHBondContact OE2-OG 3.24Å
151	E	70.5	Confident	70	Confident	66 Å²	66	101.1 Å²	101.1	31%	0.308	49%	0.493	S	S	.	.	H	α-helix	trans	-62.8	-45.4	174.8	-173.5	179.6	178.7	0	0	110	E148 R153 G154 S155 P279 R375	E148-E151 PolarHBondContact O-N 2.72Å; E151-R153 PolarHBondContact O-N 3.18Å; E151-G154 PolarHBondContact O-N 3.32Å; E151-S155 WeakPolarHBondContact O-CB 3.41Å; E151-S155 PolarHBondContact O-N 2.94Å; E151-P279 HydrophobicContact CB-CB 4.33Å; E151-R375 IonicContact OE1-CZ 3.38Å; E151-R375 IonicContact OE1-NH1 2.67Å; E151-R375 PolarHBondContact OE1-NH1 3.14Å; E151-R375 IonicContact OE1-NH2 3.82Å
152	K	80.3	Confident	72.7	Confident	110 Å²	110	95.5 Å²	95.5	48%	0.478	46%	0.458	S	S	.	.	H	α-helix	trans	-57.4	-48.2	175.4	-176.8	176.6	177.2	179.8	0	111.4	E148 E150 G154 S155 E156	E148-K152 PolarHBondContact O-N 3.5Å; E150-K152 VanDerWaalsContact C-N 3.33Å; K152-G154 VanDerWaalsContact C-N 3.35Å; K152-G154 PolarHBondContact O-N 3.34Å; K152-S155 WeakPolarHBondContact O-CB 3.36Å; K152-S155 PolarHBondContact O-N 3.22Å; K152-E156 WeakPolarHBondContact CE-OE1 3.33Å; K152-E156 WeakPolarHBondContact O-CG 3.37Å; K152-E156 PolarHBondContact O-N 3.33Å
153	R	83.4	Confident	75.2	Confident	148 Å²	148	90.7 Å²	90.7	56%	0.558	44%	0.441	S	S	*	.	H	α-helix	trans	-61	-41.9	177.2	-174.4	-176.2	-179	-174.7	5.5	112.4	P149 E150 E151 S155 M157 V283	P149-R153 WeakPolarHBondContact O-CB 3.35Å; P149-R153 PolarHBondContact O-N 3.22Å; P149-R153 VanDerWaalsContact O-N 3.12Å; E150-R153 PolarHBondContact O-N 2.95Å; E151-R153 PolarHBondContact O-N 3.18Å; R153-S155 VanDerWaalsContact C-N 3.34Å; R153-M157 WeakPolarHBondContact O-CB 3.33Å; R153-M157 PolarHBondContact O-N 3.24Å; R153-V283 HydrophobicContact CG-CG2 4.2Å
154	G	82.6	Confident	77.7	Confident	5 Å²	5	92.5 Å²	92.5	5%	0.052	44%	0.436	C	S	.	.	H	α-helix	trans	-62.7	-41.6	175.1	0	0	0	0	0	112	E150 E151 K152 F158 L286	E150-G154 PolarHBondContact O-N 2.85Å; E151-G154 PolarHBondContact O-N 3.32Å; K152-G154 VanDerWaalsContact C-N 3.35Å; K152-G154 PolarHBondContact O-N 3.34Å; G154-F158 WeakPolarHBondContact O-CB 3.45Å; G154-F158 PolarHBondContact O-N 3.27Å; G154-L286 WeakPolarHBondContact O-CD1 3.39Å
155	S	84.9	Confident	79.7	Confident	22 Å²	22	83.5 Å²	83.5	15%	0.154	40%	0.399	C	S	.	.	H	α-helix	trans	-64.6	-45.7	176.7	-163.8	0	0	0	0	112.2	E151 K152 R153 F158 D159 R379	E151-S155 WeakPolarHBondContact O-CB 3.41Å; E151-S155 PolarHBondContact O-N 2.94Å; K152-S155 WeakPolarHBondContact O-CB 3.36Å; K152-S155 PolarHBondContact O-N 3.22Å; R153-S155 VanDerWaalsContact C-N 3.34Å; S155-F158 WeakPolarHBondContact O-CB 3.32Å; S155-F158 PolarHBondContact O-N 3.24Å; S155-D159 PolarHBondContact O-N 2.67Å; S155-R379 PolarHBondContact OG-NH2 3.08Å; S155-R379 VanDerWaalsContact OG-NH2 3.15Å
156	E	89.7	Confident	81.6	Confident	110 Å²	110	75.5 Å²	75.5	51%	0.514	36%	0.363	S	S	.	.	H	α-helix	trans	-61.8	-45.3	176	-72.7	172.4	177.8	0	0	111.8	K152 F158 D159 E160	K152-E156 WeakPolarHBondContact CE-OE1 3.33Å; K152-E156 WeakPolarHBondContact O-CG 3.37Å; K152-E156 PolarHBondContact O-N 3.33Å; E156-F158 VanDerWaalsContact C-N 3.32Å; E156-F158 PolarHBondContact O-N 3.5Å; E156-D159 PolarHBondContact O-N 3.47Å; E156-E160 PolarHBondContact O-N 3.41Å
157	M	89.7	Confident	83.4	Confident	45 Å²	45	70.8 Å²	70.8	22%	0.222	34%	0.341	C	S	.	.	H	α-helix	trans	-63.4	-38.5	176	-175.7	174.5	-176.2	0	0	111.8	R153 E160 M161 V283 L286 K287	R153-M157 WeakPolarHBondContact O-CB 3.33Å; R153-M157 PolarHBondContact O-N 3.24Å; M157-E160 PolarHBondContact O-N 3.17Å; M157-M161 HydrophobicContact CE-SD 3.98Å; M157-M161 HydrophobicContact CG-SD 4.26Å; M157-M161 WeakPolarHBondContact O-CB 3.38Å; M157-M161 VanDerWaalsContact O-CG 3.31Å; M157-M161 WeakPolarHBondContact O-CG 3.36Å; M157-M161 PolarHBondContact O-N 3.25Å; M157-V283 HydrophobicContact SD-CG1 4Å; M157-L286 HydrophobicContact CB-CD1 4.15Å; M157-L286 HydrophobicContact CE-CB 4.07Å; M157-L286 HydrophobicContact CG-CB 4.42Å; M157-L286 HydrophobicContact CG-CD1 4.1Å; M157-L286 HydrophobicContact SD-CB 4Å; M157-L286 HydrophobicContact SD-CD1 4.42Å; M157-K287 HydrophobicContact CE-CG 3.74Å; M157-K287 HydrophobicContact SD-CG 4.4Å
158	F	90.2	Very high	84.7	Confident	20 Å²	20	69.3 Å²	69.3	9%	0.088	34%	0.339	C	S	.	.	H	α-helix	trans	-62.2	-46.7	175.8	-171.2	-77.1	0	0	0	111.4	G154 S155 E156 M161 M162 L286 Y330 F332 R379	G154-F158 WeakPolarHBondContact O-CB 3.45Å; G154-F158 PolarHBondContact O-N 3.27Å; S155-F158 WeakPolarHBondContact O-CB 3.32Å; S155-F158 PolarHBondContact O-N 3.24Å; E156-F158 VanDerWaalsContact C-N 3.32Å; E156-F158 PolarHBondContact O-N 3.5Å; F158-M161 PolarHBondContact O-N 3.38Å; F158-M162 HydrophobicContact CE1-CE 3.57Å; F158-M162 HydrophobicContact CE1-SD 4.44Å; F158-M162 HydrophobicContact CZ-CE 4.17Å; F158-M162 WeakPolarHBondContact O-CB 3.47Å; F158-M162 PolarHBondContact O-N 3.4Å; F158-L286 HydrophobicContact CB-CD1 3.97Å; F158-L286 HydrophobicContact CD2-CD1 4.38Å; F158-L286 HydrophobicContact CD2-CD2 3.89Å; F158-Y330 AromaticContact CE2-CD1 3.96Å; F158-Y330 HydrophobicContact CE2-CD1 3.96Å; F158-Y330 HydrophobicContact CE2-CG 4.42Å; F158-Y330 VanDerWaalsContact CZ-O 3.27Å; F158-Y330 WeakPolarHBondContact CZ-O 3.38Å; F158-F332 HydrophobicContact CD1-CE1 4.13Å; F158-F332 HydrophobicContact CD2-CE1 4.28Å; F158-F332 AromaticContact CD2-CZ 3.95Å; F158-F332 HydrophobicContact CD2-CZ 3.95Å; F158-F332 AromaticContact CE1-CE1 3.86Å; F158-F332 HydrophobicContact CE1-CE1 3.86Å; F158-F332 HydrophobicContact CE1-CZ 4.41Å; F158-F332 HydrophobicContact CE2-CE1 4.01Å; F158-F332 AromaticContact CE2-CZ 3.72Å; F158-F332 HydrophobicContact CE2-CZ 3.72Å; F158-F332 HydrophobicContact CG-CE1 4.34Å; F158-F332 HydrophobicContact CG-CZ 4.38Å; F158-F332 AromaticContact CZ-CE1 3.8Å; F158-F332 HydrophobicContact CZ-CE1 3.8Å; F158-F332 AromaticContact CZ-CZ 3.99Å; F158-F332 HydrophobicContact CZ-CZ 3.99Å; F158-R379 VanDerWaalsContact CD1-NE 3.33Å
159	D	91.7	Very high	85.8	Confident	56 Å²	56	63.3 Å²	63.3	30%	0.299	31%	0.311	S	S	.	.	H	α-helix	trans	-63.3	-42.5	178.9	-78.4	8.5	0	0	0	111	S155 E156 M162 S163 R379	S155-D159 PolarHBondContact O-N 2.67Å; E156-D159 PolarHBondContact O-N 3.47Å; D159-M162 PolarHBondContact O-N 3.41Å; D159-S163 WeakPolarHBondContact O-CB 3.49Å; D159-S163 PolarHBondContact O-N 3.39Å; D159-R379 WeakPolarHBondContact OD1-CD 3.33Å; D159-R379 IonicContact OD1-CZ 3.33Å; D159-R379 IonicContact OD1-NE 2.97Å; D159-R379 PolarHBondContact OD1-NE 3.03Å; D159-R379 IonicContact OD1-NH2 2.87Å
160	E	93	Very high	86.9	Confident	98 Å²	98	58.8 Å²	58.8	46%	0.458	28%	0.281	S	S	.	.	H	α-helix	trans	-59.5	-49	173.2	-173.9	-175.2	-178	0	0	111.1	E156 M157 M162 S163 R164	E156-E160 PolarHBondContact O-N 3.41Å; M157-E160 PolarHBondContact O-N 3.17Å; E160-M162 VanDerWaalsContact C-N 3.34Å; E160-M162 PolarHBondContact O-N 3.16Å; E160-S163 PolarHBondContact O-N 3.3Å; E160-S163 PolarHBondContact O-OG 3Å; E160-R164 PolarHBondContact O-N 3.45Å; E160-R164 VanDerWaalsContact O-N 3.16Å; E160-R164 IonicContact OE1-CZ 2.75Å; E160-R164 IonicContact OE1-NH1 2.72Å; E160-R164 PolarHBondContact OE1-NH1 3.29Å; E160-R164 IonicContact OE1-NH2 3.37Å
161	M	91.5	Very high	87.8	Confident	33 Å²	33	59.3 Å²	59.3	16%	0.163	28%	0.282	C	S	.	.	H	α-helix	trans	-61.2	-41.5	178.1	-76.6	179.6	61	0	0	112.2	M157 F158 S163 R164 A165 L286 Y289 F332	M157-M161 HydrophobicContact CE-SD 3.98Å; M157-M161 HydrophobicContact CG-SD 4.26Å; M157-M161 WeakPolarHBondContact O-CB 3.38Å; M157-M161 VanDerWaalsContact O-CG 3.31Å; M157-M161 WeakPolarHBondContact O-CG 3.36Å; M157-M161 PolarHBondContact O-N 3.25Å; F158-M161 PolarHBondContact O-N 3.38Å; M161-S163 VanDerWaalsContact C-N 3.34Å; M161-R164 CarbonylContact O-C 3.57Å; M161-R164 PolarHBondContact O-N 3.31Å; M161-A165 WeakPolarHBondContact O-CA 3.32Å; M161-A165 WeakPolarHBondContact O-CB 3.48Å; M161-A165 PolarHBondContact O-N 3.48Å; M161-L286 HydrophobicContact CE-CB 4.45Å; M161-L286 HydrophobicContact CE-CD2 4.05Å; M161-L286 HydrophobicContact SD-CB 3.69Å; M161-L286 HydrophobicContact SD-CD2 3.82Å; M161-L286 HydrophobicContact SD-CG 4.2Å; M161-Y289 HydrophobicContact CE-CD1 3.63Å; M161-Y289 HydrophobicContact CE-CE1 4.32Å; M161-F332 HydrophobicContact CB-CE1 4.12Å; M161-F332 HydrophobicContact CB-CZ 4.15Å; M161-F332 HydrophobicContact CE-CE2 4.17Å; M161-F332 HydrophobicContact CE-CZ 4.22Å
162	M	91.7	Very high	88.5	Confident	9 Å²	9	56.1 Å²	56.1	4%	0.044	27%	0.267	C	S	.	.	H	α-helix	trans	-62.9	-42.3	175.6	-175.1	169.3	-84.2	0	0	111.5	F158 D159 E160 R164 A165 Y330 F332 A335 R339 R379	F158-M162 HydrophobicContact CE1-CE 3.57Å; F158-M162 HydrophobicContact CE1-SD 4.44Å; F158-M162 HydrophobicContact CZ-CE 4.17Å; F158-M162 WeakPolarHBondContact O-CB 3.47Å; F158-M162 PolarHBondContact O-N 3.4Å; D159-M162 PolarHBondContact O-N 3.41Å; E160-M162 VanDerWaalsContact C-N 3.34Å; E160-M162 PolarHBondContact O-N 3.16Å; M162-R164 PolarHBondContact O-N 2.95Å; M162-A165 PolarHBondContact O-N 2.91Å; M162-Y330 WeakPolarHBondContact CE-O 3.42Å; M162-F332 HydrophobicContact CB-CD1 3.86Å; M162-F332 HydrophobicContact CB-CE1 3.94Å; M162-F332 HydrophobicContact CE-CD1 4.13Å; M162-F332 HydrophobicContact CE-CE1 4.48Å; M162-F332 HydrophobicContact CG-CD1 4.28Å; M162-A335 HydrophobicContact CG-CB 3.42Å; M162-A335 VanDerWaalsContact CG-CB 3.42Å; M162-A335 HydrophobicContact SD-CB 4.16Å; M162-R339 PolarHBondContact O-NH2 3.14Å; M162-R379 HydrophobicContact CE-CB 4.23Å; M162-R379 HydrophobicContact SD-CB 3.58Å; M162-R379 VanDerWaalsContact SD-CB 3.58Å; M162-R379 HydrophobicContact SD-CG 4.46Å
163	S	90	Very high	88.8	Confident	70 Å²	70	51.3 Å²	51.3	49%	0.49	25%	0.246	S	C	.	.	H	α-helix	trans	-67.7	-15.5	178.9	78.4	0	0	0	0	114.5	D159 E160 M161 R339	D159-S163 WeakPolarHBondContact O-CB 3.49Å; D159-S163 PolarHBondContact O-N 3.39Å; E160-S163 PolarHBondContact O-N 3.3Å; E160-S163 PolarHBondContact O-OG 3Å; M161-S163 VanDerWaalsContact C-N 3.34Å; S163-R339 PolarHBondContact O-NH1 2.7Å
164	R	89.7	Confident	88.9	Confident	149 Å²	149	46.4 Å²	46.4	56%	0.562	23%	0.23	S	C	*	.	H	α-helix	trans	-121.1	3.9	179.1	-66.8	-174.3	178.9	153.5	6	114.2	E160 M161 M162 Y166 E167 R339	E160-R164 PolarHBondContact O-N 3.45Å; E160-R164 VanDerWaalsContact O-N 3.16Å; E160-R164 IonicContact OE1-CZ 2.75Å; E160-R164 IonicContact OE1-NH1 2.72Å; E160-R164 PolarHBondContact OE1-NH1 3.29Å; E160-R164 IonicContact OE1-NH2 3.37Å; M161-R164 CarbonylContact O-C 3.57Å; M161-R164 PolarHBondContact O-N 3.31Å; M162-R164 PolarHBondContact O-N 2.95Å; R164-Y166 PolarHBondContact O-N 2.93Å; R164-E167 PolarHBondContact O-N 3.35Å; R164-R339 VanDerWaalsContact CA-NH1 3.3Å
165	A	87	Confident	88.8	Confident	12 Å²	12	50.8 Å²	50.8	10%	0.099	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	130.6	-175.9	0	0	0	0	0	111.2	M161 M162 E167 F332 R339	M161-A165 WeakPolarHBondContact O-CA 3.32Å; M161-A165 WeakPolarHBondContact O-CB 3.48Å; M161-A165 PolarHBondContact O-N 3.48Å; M162-A165 PolarHBondContact O-N 2.91Å; A165-E167 PolarHBondContact O-N 3.41Å; A165-E167 VanDerWaalsContact O-N 3.14Å; A165-F332 HydrophobicContact CB-CB 3.88Å; A165-F332 HydrophobicContact CB-CG 4.47Å; A165-R339 PolarHBondContact O-NH1 3.07Å; A165-R339 PolarHBondContact O-NH2 2.83Å
166	Y	91.3	Very high	88.5	Confident	23 Å²	23	49.9 Å²	49.9	9%	0.09	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	22.5	175.5	-53.5	-75.1	0	0	0	116.4	R164 T168 C169 I170 L299 N300 F303 F332 Q333	R164-Y166 PolarHBondContact O-N 2.93Å; Y166-T168 VanDerWaalsContact C-N 3.28Å; Y166-T168 PolarHBondContact O-N 3.24Å; Y166-C169 WeakPolarHBondContact O-CB 3.13Å; Y166-C169 PolarHBondContact O-N 3.28Å; Y166-C169 VanDerWaalsContact O-N 3.07Å; Y166-I170 WeakPolarHBondContact O-CG1 3.39Å; Y166-I170 PolarHBondContact O-N 2.69Å; Y166-L299 WeakPolarHBondContact CE1-O 3.34Å; Y166-N300 WeakPolarHBondContact CD1-OD1 3.46Å; Y166-N300 VanDerWaalsContact CE1-OD1 3.23Å; Y166-N300 WeakPolarHBondContact CE1-OD1 3.36Å; Y166-F303 VanDerWaalsContact CB-CD1 3.41Å; Y166-F303 HydrophobicContact CD1-CB 3.52Å; Y166-F303 AromaticContact CD1-CD1 3.57Å; Y166-F303 HydrophobicContact CD1-CD1 3.57Å; Y166-F303 HydrophobicContact CD1-CD2 4.19Å; Y166-F303 HydrophobicContact CD1-CE1 4.34Å; Y166-F303 AromaticContact CD1-CG 3.47Å; Y166-F303 HydrophobicContact CD1-CG 3.47Å; Y166-F303 VanDerWaalsContact CD1-CG 3.47Å; Y166-F303 HydrophobicContact CD2-CB 4.27Å; Y166-F303 HydrophobicContact CD2-CD1 4.15Å; Y166-F303 AromaticContact CD2-CD2 3.53Å; Y166-F303 HydrophobicContact CD2-CD2 3.53Å; Y166-F303 HydrophobicContact CD2-CE1 4.41Å; Y166-F303 AromaticContact CD2-CE2 3.85Å; Y166-F303 HydrophobicContact CD2-CE2 3.85Å; Y166-F303 AromaticContact CD2-CG 3.69Å; Y166-F303 HydrophobicContact CD2-CG 3.69Å; Y166-F303 HydrophobicContact CD2-CZ 4.28Å; Y166-F303 HydrophobicContact CE1-CB 3.37Å; Y166-F303 HydrophobicContact CE1-CD1 4.33Å; Y166-F303 HydrophobicContact CE1-CD2 4.44Å; Y166-F303 AromaticContact CE1-CG 3.8Å; Y166-F303 HydrophobicContact CE1-CG 3.8Å; Y166-F303 HydrophobicContact CE2-CB 4.15Å; Y166-F303 AromaticContact CE2-CD2 3.84Å; Y166-F303 HydrophobicContact CE2-CD2 3.84Å; Y166-F303 HydrophobicContact CE2-CG 4.03Å; Y166-F303 HydrophobicContact CG-CB 3.96Å; Y166-F303 AromaticContact CG-CD1 3.44Å; Y166-F303 HydrophobicContact CG-CD1 3.44Å; Y166-F303 VanDerWaalsContact CG-CD1 3.44Å; Y166-F303 AromaticContact CG-CD2 3.72Å; Y166-F303 HydrophobicContact CG-CD2 3.72Å; Y166-F303 AromaticContact CG-CE1 3.79Å; Y166-F303 HydrophobicContact CG-CE1 3.79Å; Y166-F303 HydrophobicContact CG-CE2 4.07Å; Y166-F303 AromaticContact CG-CG 3.39Å; Y166-F303 HydrophobicContact CG-CG 3.39Å; Y166-F303 HydrophobicContact CG-CZ 4.1Å; Y166-F332 HydrophobicContact CE2-CB 4.25Å; Y166-Q333 HydrophobicContact CE2-CB 4.22Å
167	E	89.6	Confident	87.4	Confident	85 Å²	85	48 Å²	48	40%	0.397	24%	0.241	S	C	.	.	H	α-helix	trans	-55.6	-40.7	-179.8	-171.4	-172.9	162	0	0	112.9	R164 A165 I170 K171	R164-E167 PolarHBondContact O-N 3.35Å; A165-E167 PolarHBondContact O-N 3.41Å; A165-E167 VanDerWaalsContact O-N 3.14Å; E167-I170 PolarHBondContact O-N 2.83Å; E167-K171 WeakPolarHBondContact O-CG 3.43Å; E167-K171 PolarHBondContact O-N 2.65Å; E167-K171 VanDerWaalsContact O-N 3.08Å; E167-K171 WeakPolarHBondContact OE1-CE 3.43Å; E167-K171 IonicContact OE1-NZ 3.76Å; E167-K171 PolarHBondContact OE1-NZ 3.42Å
168	T	86.4	Confident	86.1	Confident	72 Å²	72	50.1 Å²	50.1	44%	0.442	26%	0.257	S	S	.	.	H	α-helix	trans	-64	-43.8	176.5	56.6	0	0	0	0	111.7	Y166 K171 S172 E562	Y166-T168 VanDerWaalsContact C-N 3.28Å; Y166-T168 PolarHBondContact O-N 3.24Å; T168-K171 PolarHBondContact O-N 3.19Å; T168-S172 PolarHBondContact O-N 2.84Å; T168-E562 PolarHBondContact OG1-OE1 3.16Å
169	C	91.2	Very high	84.5	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-64.3	-42.7	178.1	-52.6	0	0	0	0	111.6	Y166 K171 S172 M173 N300 F303 I304 E562	Y166-C169 WeakPolarHBondContact O-CB 3.13Å; Y166-C169 PolarHBondContact O-N 3.28Å; Y166-C169 VanDerWaalsContact O-N 3.07Å; C169-K171 PolarHBondContact O-N 3.05Å; C169-S172 WeakPolarHBondContact O-CA 3.41Å; C169-S172 WeakPolarHBondContact O-CB 3.1Å; C169-S172 PolarHBondContact O-N 2.7Å; C169-M173 WeakPolarHBondContact O-CG 3.4Å; C169-M173 PolarHBondContact O-N 3.28Å; C169-N300 VanDerWaalsContact SG-CB 3.54Å; C169-N300 PolarHBondContact SG-ND2 3.28Å; C169-N300 VanDerWaalsContact SG-ND2 3.4Å; C169-F303 HydrophobicContact CB-CD1 3.74Å; C169-F303 HydrophobicContact CB-CE1 3.88Å; C169-I304 HydrophobicContact CB-CD1 3.97Å; C169-I304 HydrophobicContact CB-CG1 3.74Å; C169-E562 PolarHBondContact SG-OE1 3.29Å; C169-E562 VanDerWaalsContact SG-OE1 3.39Å
170	I	91.5	Very high	82.7	Confident	13 Å²	13	56.4 Å²	56.4	7%	0.067	29%	0.291	C	S	.	.	H	α-helix	trans	-57.7	-50.5	175.5	-67.7	168.3	0	0	0	109.7	Y166 E167 S172 M173 E174 F303 G336 R339 L340	Y166-I170 WeakPolarHBondContact O-CG1 3.39Å; Y166-I170 PolarHBondContact O-N 2.69Å; E167-I170 PolarHBondContact O-N 2.83Å; I170-S172 PolarHBondContact O-N 3.49Å; I170-M173 HydrophobicContact CG1-CE 4.14Å; I170-M173 PolarHBondContact O-N 3.49Å; I170-E174 WeakPolarHBondContact O-CG 3.39Å; I170-E174 PolarHBondContact O-N 3.26Å; I170-F303 HydrophobicContact CD1-CZ 4.39Å; I170-F303 HydrophobicContact CG1-CE1 3.99Å; I170-F303 HydrophobicContact CG1-CZ 3.99Å; I170-G336 WeakPolarHBondContact CD1-O 3.4Å; I170-R339 HydrophobicContact CD1-CB 4.12Å; I170-L340 HydrophobicContact CG1-CB 4.43Å; I170-L340 HydrophobicContact CG2-CD1 4.08Å
171	K	87.7	Confident	80.7	Confident	99 Å²	99	56.6 Å²	56.6	43%	0.43	30%	0.303	S	S	.	.	H	α-helix	trans	-58.9	-33.2	175.4	-69.8	173.2	-174.5	170.2	0	112.5	E167 T168 C169 R175	E167-K171 WeakPolarHBondContact O-CG 3.43Å; E167-K171 PolarHBondContact O-N 2.65Å; E167-K171 VanDerWaalsContact O-N 3.08Å; E167-K171 WeakPolarHBondContact OE1-CE 3.43Å; E167-K171 IonicContact OE1-NZ 3.76Å; E167-K171 PolarHBondContact OE1-NZ 3.42Å; T168-K171 PolarHBondContact O-N 3.19Å; C169-K171 PolarHBondContact O-N 3.05Å; K171-R175 WeakPolarHBondContact O-CG 3.42Å; K171-R175 PolarHBondContact O-N 2.94Å
172	S	84.6	Confident	77.9	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-68.3	-47	176.4	-154	0	0	0	0	112.9	T168 C169 I170 E174 R175 V176 E562	T168-S172 PolarHBondContact O-N 2.84Å; C169-S172 WeakPolarHBondContact O-CA 3.41Å; C169-S172 WeakPolarHBondContact O-CB 3.1Å; C169-S172 PolarHBondContact O-N 2.7Å; I170-S172 PolarHBondContact O-N 3.49Å; S172-E174 VanDerWaalsContact C-N 3.3Å; S172-E174 PolarHBondContact O-N 3.49Å; S172-R175 PolarHBondContact O-N 2.98Å; S172-R175 PolarHBondContact OG-NH2 3.2Å; S172-R175 VanDerWaalsContact OG-NH2 3.08Å; S172-V176 PolarHBondContact O-N 3.01Å; S172-E562 VanDerWaalsContact CB-OE2 3.22Å; S172-E562 WeakPolarHBondContact CB-OE2 3.44Å; S172-E562 PolarHBondContact OG-OE2 2.93Å
173	M	88.4	Confident	74.9	Confident	8 Å²	8	60.9 Å²	60.9	4%	0.039	36%	0.358	C	S	.	.	H	α-helix	trans	-61.9	-38.1	177	-67.6	-177.2	-72.9	0	0	112.2	C169 I170 R175 V176 A177 F303 I304 A307 M308 L340 A558	C169-M173 WeakPolarHBondContact O-CG 3.4Å; C169-M173 PolarHBondContact O-N 3.28Å; I170-M173 HydrophobicContact CG1-CE 4.14Å; I170-M173 PolarHBondContact O-N 3.49Å; M173-R175 VanDerWaalsContact C-N 3.33Å; M173-R175 PolarHBondContact O-N 3.4Å; M173-V176 PolarHBondContact O-N 2.86Å; M173-A177 PolarHBondContact O-N 3.34Å; M173-A177 VanDerWaalsContact O-N 3.16Å; M173-F303 HydrophobicContact CE-CD1 4.24Å; M173-F303 HydrophobicContact CE-CE1 3.44Å; M173-F303 VanDerWaalsContact CE-CE1 3.44Å; M173-F303 HydrophobicContact CE-CZ 4.06Å; M173-I304 HydrophobicContact CG-CG1 4.33Å; M173-I304 HydrophobicContact CG-CG2 4.01Å; M173-I304 HydrophobicContact SD-CB 4.28Å; M173-I304 HydrophobicContact SD-CG1 4.23Å; M173-I304 HydrophobicContact SD-CG2 4.03Å; M173-A307 HydrophobicContact CE-CB 4.41Å; M173-A307 HydrophobicContact SD-CB 4.41Å; M173-M308 HydrophobicContact CB-SD 4.44Å; M173-M308 HydrophobicContact CG-CG 3.86Å; M173-M308 HydrophobicContact CG-SD 3.8Å; M173-M308 HydrophobicContact SD-CG 3.32Å; M173-M308 WeakPolarHBondContact SD-CG 3.39Å; M173-M308 HydrophobicContact SD-SD 4.06Å; M173-L340 HydrophobicContact CE-CD1 4.08Å; M173-L340 HydrophobicContact CE-CD2 3.58Å; M173-L340 HydrophobicContact CE-CG 4.38Å; M173-L340 HydrophobicContact SD-CD2 3.94Å; M173-A558 HydrophobicContact CG-CB 4.48Å
174	E	85.4	Confident	72	Confident	45 Å²	45	61.6 Å²	61.6	21%	0.21	38%	0.376	C	S	.	.	H	α-helix	trans	-64.1	-34.6	178.2	-71.1	-176.5	157.9	0	0	113.3	I170 S172 A177 V178 T343 K347	I170-E174 WeakPolarHBondContact O-CG 3.39Å; I170-E174 PolarHBondContact O-N 3.26Å; S172-E174 VanDerWaalsContact C-N 3.3Å; S172-E174 PolarHBondContact O-N 3.49Å; E174-A177 PolarHBondContact O-N 3.35Å; E174-V178 WeakPolarHBondContact O-CG2 3.46Å; E174-V178 PolarHBondContact O-N 3.44Å; E174-T343 VanDerWaalsContact OE1-CB 3.25Å; E174-T343 WeakPolarHBondContact OE1-CB 3.49Å; E174-T343 PolarHBondContact OE1-OG1 3.14Å; E174-K347 VanDerWaalsContact CG-NZ 3.34Å; E174-K347 IonicContact OE1-NZ 2.91Å; E174-K347 PolarHBondContact OE1-NZ 3.5Å; E174-K347 IonicContact OE2-NZ 3.35Å; E174-K347 PolarHBondContact OE2-NZ 3.32Å
175	R	80.3	Confident	69.1	Low	98 Å²	98	58.2 Å²	58.2	37%	0.37	39%	0.388	S	S	.	.	H	α-helix	trans	-66.3	-41.9	175.7	-70.1	-178.3	-62.9	-107.4	8.4	111.8	K171 S172 M173 A177 V178 D179	K171-R175 WeakPolarHBondContact O-CG 3.42Å; K171-R175 PolarHBondContact O-N 2.94Å; S172-R175 PolarHBondContact O-N 2.98Å; S172-R175 PolarHBondContact OG-NH2 3.2Å; S172-R175 VanDerWaalsContact OG-NH2 3.08Å; M173-R175 VanDerWaalsContact C-N 3.33Å; M173-R175 PolarHBondContact O-N 3.4Å; R175-A177 VanDerWaalsContact C-N 3.26Å; R175-A177 PolarHBondContact O-N 3.12Å; R175-V178 PolarHBondContact O-N 2.88Å; R175-V178 VanDerWaalsContact O-N 3.17Å; R175-D179 PolarHBondContact O-N 3.19Å
176	V	78.2	Confident	66.3	Low	3 Å²	3	61.8 Å²	61.8	2%	0.018	43%	0.426	C	S	.	.	H	α-helix	trans	-63.9	-34.8	177.8	178.1	0	0	0	0	111.3	S172 M173 N180 K557 A558	S172-V176 PolarHBondContact O-N 3.01Å; M173-V176 PolarHBondContact O-N 2.86Å; V176-N180 PolarHBondContact O-N 3.38Å; V176-N180 VanDerWaalsContact O-N 3.14Å; V176-K557 HydrophobicContact CG1-CD 4.39Å; V176-K557 HydrophobicContact CG2-CG 4.47Å; V176-A558 HydrophobicContact CG2-CB 3.95Å
177	A	66.7	Low	63.3	Low	69 Å²	69	64 Å²	64	57%	0.57	46%	0.456	S	S	*	.	H	α-helix	trans	-65.3	-37.6	174.9	0	0	0	0	0	112.7	M173 E174 R175	M173-A177 PolarHBondContact O-N 3.34Å; M173-A177 VanDerWaalsContact O-N 3.16Å; E174-A177 PolarHBondContact O-N 3.35Å; R175-A177 VanDerWaalsContact C-N 3.26Å; R175-A177 PolarHBondContact O-N 3.12Å
178	V	62.6	Low	60.5	Low	91 Å²	91	64.5 Å²	64.5	55%	0.552	48%	0.475	S	S	*	.	H	α-helix	trans	-72.1	-45.1	176.8	177.4	0	0	0	0	111.1	E174 R175 N180 S181 G182	E174-V178 WeakPolarHBondContact O-CG2 3.46Å; E174-V178 PolarHBondContact O-N 3.44Å; R175-V178 PolarHBondContact O-N 2.88Å; R175-V178 VanDerWaalsContact O-N 3.17Å; V178-N180 PolarHBondContact O-N 3.26Å; V178-S181 PolarHBondContact O-N 2.96Å; V178-S181 PolarHBondContact O-OG 2.93Å; V178-G182 PolarHBondContact O-N 3.27Å
179	D	56.7	Low	57.8	Low	80 Å²	80	69.9 Å²	69.9	43%	0.428	50%	0.495	S	S	.	.	H	α-helix	trans	-58.2	-35.4	177.5	-75.1	1.6	0	0	0	112	R175 S181 G182 K557	R175-D179 PolarHBondContact O-N 3.19Å; D179-S181 PolarHBondContact O-N 3.44Å; D179-G182 CarbonylContact O-C 3.58Å; D179-G182 PolarHBondContact O-N 3.03Å; D179-K557 IonicContact OD2-NZ 2.84Å; D179-K557 PolarHBondContact OD2-NZ 2.74Å
180	N	54.1	Low	55	Low	127 Å²	127	76.2 Å²	76.2	68%	0.679	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-15	177.4	-109.8	31.7	0	0	0	113.8	V176 V178	V176-N180 PolarHBondContact O-N 3.38Å; V176-N180 VanDerWaalsContact O-N 3.14Å; V178-N180 PolarHBondContact O-N 3.26Å
181	S	49.6	Very low	52	Low	102 Å²	102	85.1 Å²	85.1	71%	0.713	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	-12.3	172.9	64.2	0	0	0	0	113.7	V178 D179	V178-S181 PolarHBondContact O-N 2.96Å; V178-S181 PolarHBondContact O-OG 2.93Å; D179-S181 PolarHBondContact O-N 3.44Å
182	G	34	Very low	49.6	Very low	46 Å²	46	91 Å²	91	47%	0.474	59%	0.586	S	S	.	*	S	Bend	trans	-119.9	98.8	176.7	0	0	0	0	0	110.6	V178 D179 G184	V178-G182 PolarHBondContact O-N 3.27Å; D179-G182 CarbonylContact O-C 3.58Å; D179-G182 PolarHBondContact O-N 3.03Å; G182-G184 PolarHBondContact O-N 2.92Å
183	G	28.6	Very low	47	Very low	87 Å²	87	98.2 Å²	98.2	90%	0.897	63%	0.625	S	S	*	*			trans	-56	133.6	178	0	0	0	0	0	113
184	G	28.5	Very low	44.5	Very low	84 Å²	84	107.5 Å²	107.5	87%	0.866	66%	0.659	S	S	*	*			trans	106.3	111.2	158.4	0	0	0	0	0	115.5	G182	G182-G184 PolarHBondContact O-N 2.92Å
185	G	29.7	Very low	41.9	Very low	78 Å²	78	116.5 Å²	116.5	80%	0.804	69%	0.691	S	S	*	*			trans	-179.8	77.2	168.1	0	0	0	0	0	111	G187	G185-G187 PolarHBondContact O-N 3.4Å; G185-G187 VanDerWaalsContact O-N 3.1Å
186	G	27.4	Very low	39.9	Very low	87 Å²	87	117.8 Å²	117.8	90%	0.897	71%	0.71	S	S	*	*			trans	-62.8	107.3	172.8	0	0	0	0	0	110.5	A188	G186-A188 PolarHBondContact O-N 3Å
187	G	27.8	Very low	37.7	Very low	70 Å²	70	121.5 Å²	121.5	72%	0.722	75%	0.749	S	S	*	*			trans	-75	114.1	168.9	0	0	0	0	0	109.4	G185 H189	G185-G187 PolarHBondContact O-N 3.4Å; G185-G187 VanDerWaalsContact O-N 3.1Å; G187-H189 PolarHBondContact O-N 2.98Å
188	A	31.6	Very low	36.2	Very low	96 Å²	96	126.5 Å²	126.5	79%	0.793	75%	0.753	S	S	*	*			trans	-59.5	126.1	174	0	0	0	0	0	110.5	G186 D190	G186-A188 PolarHBondContact O-N 3Å; A188-D190 PolarHBondContact O-N 3.02Å
189	H	29.5	Very low	34.9	Very low	185 Å²	185	127.1 Å²	127.1	86%	0.856	76%	0.762	S	S	*	*			trans	-64.9	94.6	169.1	-92.2	-84.9	0	0	0	109.5	G187 K191	G187-H189 PolarHBondContact O-N 2.98Å; H189-K191 PolarHBondContact O-N 3.39Å; H189-K191 VanDerWaalsContact O-N 3.1Å
190	D	31.4	Very low	34	Very low	132 Å²	132	128.1 Å²	128.1	71%	0.706	78%	0.781	S	S	*	*			trans	-76.4	100.1	176.1	-144.8	5.2	0	0	0	108.6	A188 R192	A188-D190 PolarHBondContact O-N 3.02Å; D190-R192 PolarHBondContact O-N 3.01Å
191	K	29.9	Very low	33.1	Very low	201 Å²	201	132.6 Å²	132.6	87%	0.874	79%	0.788	S	S	*	*			trans	-67.4	78.1	176.6	-73	-179.7	178.6	175.2	0	109.7	H189 N193	H189-K191 PolarHBondContact O-N 3.39Å; H189-K191 VanDerWaalsContact O-N 3.1Å; K191-N193 PolarHBondContact O-N 3.03Å
192	R	36	Very low	32.4	Very low	222 Å²	222	131.8 Å²	131.8	84%	0.838	80%	0.796	S	S	*	*			trans	-72.8	111.8	173.8	-87.3	179.8	168.9	168.6	-3.1	110.3	D190	D190-R192 PolarHBondContact O-N 3.01Å
193	N	31.4	Very low	33	Very low	152 Å²	152	133.9 Å²	133.9	81%	0.813	80%	0.804	S	S	*	*			trans	-60.1	134.9	-177.9	-158.7	5.5	0	0	0	112.3	K191 R195	K191-N193 PolarHBondContact O-N 3.03Å; N193-R195 PolarHBondContact O-N 2.97Å
194	R	34.6	Very low	33.9	Very low	203 Å²	203	137.3 Å²	137.3	77%	0.766	80%	0.801	S	S	*	*			trans	-63.5	109.7	177.2	-78.2	174.8	169.2	153.2	-4.3	110
195	R	32.5	Very low	35.7	Very low	233 Å²	233	138.7 Å²	138.7	88%	0.879	79%	0.793	S	S	*	*			trans	-114.1	87.8	160	-87.7	-177	158.7	158.4	-4.6	109	N193 G197	N193-R195 PolarHBondContact O-N 2.97Å; R195-G197 VanDerWaalsContact C-N 3.31Å; R195-G197 PolarHBondContact O-N 3.15Å
196	T	37.4	Very low	38.1	Very low	125 Å²	125	137.7 Å²	137.7	77%	0.767	77%	0.771	S	S	*	*			trans	-73.1	84.8	167.6	42.3	0	0	0	0	108.8	R198	T196-R198 PolarHBondContact O-N 3.42Å
197	G	32	Very low	41.1	Very low	81 Å²	81	138.7 Å²	138.7	84%	0.835	76%	0.756	S	S	*	*			trans	-74.2	76.2	167.5	0	0	0	0	0	110.1	R195	R195-G197 VanDerWaalsContact C-N 3.31Å; R195-G197 PolarHBondContact O-N 3.15Å
198	R	35.3	Very low	44.2	Very low	175 Å²	175	136 Å²	136	66%	0.66	73%	0.725	S	S	*	*			trans	-93.6	107.9	167.8	-109.7	179.9	167.4	164.3	-1.4	108.2	T196 A200	T196-R198 PolarHBondContact O-N 3.42Å; R198-A200 VanDerWaalsContact C-N 3.31Å; R198-A200 PolarHBondContact O-N 3.47Å
199	S	35.1	Very low	47.1	Very low	104 Å²	104	132 Å²	132	73%	0.727	69%	0.693	S	S	*	*			trans	-65.5	93.2	165.6	165.7	0	0	0	0	108.1	R201	S199-R201 PolarHBondContact O-N 2.98Å
200	A	36.7	Very low	50.2	Low	101 Å²	101	125.6 Å²	125.6	84%	0.835	67%	0.672	S	S	*	*			trans	-67.9	83.3	165.5	0	0	0	0	0	108.5	R198 G202	R198-A200 VanDerWaalsContact C-N 3.31Å; R198-A200 PolarHBondContact O-N 3.47Å; A200-G202 PolarHBondContact O-N 3.22Å
201	R	36.9	Very low	53.3	Low	220 Å²	220	120.6 Å²	120.6	83%	0.83	65%	0.645	S	S	*	*			trans	-85.5	95.9	170.7	-142.5	171.9	-177.7	172.9	-0.7	106.5	S199 S203	S199-R201 PolarHBondContact O-N 2.98Å; R201-S203 PolarHBondContact O-N 2.83Å
202	G	34.5	Very low	56.5	Low	85 Å²	85	111 Å²	111	88%	0.876	60%	0.603	S	S	*	*			trans	-61.4	85.7	172.3	0	0	0	0	0	110.4	A200	A200-G202 PolarHBondContact O-N 3.22Å
203	S	45.2	Very low	59.4	Low	91 Å²	91	102.6 Å²	102.6	64%	0.636	58%	0.577	S	S	*	*	S	Bend	trans	-100.2	160.2	156.5	179.7	0	0	0	0	106.4	R201 V205	R201-S203 PolarHBondContact O-N 2.83Å; S203-V205 WeakPolarHBondContact O-CG2 3.35Å; S203-V205 PolarHBondContact O-N 3.27Å
204	N	48.4	Very low	62.5	Low	158 Å²	158	98.1 Å²	98.1	85%	0.845	56%	0.557	S	S	*	*			trans	-62	71.7	165.4	-84.2	-21.9	0	0	0	109.3	V206	N204-V206 PolarHBondContact O-N 3.49Å
205	V	65.4	Low	65.5	Low	114 Å²	114	88.4 Å²	88.4	69%	0.691	52%	0.521	S	S	*	.			trans	-74.3	103.5	-178.3	-176.4	0	0	0	0	105.5	S203 D207	S203-V205 WeakPolarHBondContact O-CG2 3.35Å; S203-V205 PolarHBondContact O-N 3.27Å; V205-D207 PolarHBondContact O-N 2.88Å
206	V	81.3	Confident	68.5	Low	57 Å²	57	77.4 Å²	77.4	35%	0.345	48%	0.479	S	S	.	.			trans	-54.4	124	169.7	175.1	0	0	0	0	107.7	N204 I208 L211	N204-V206 PolarHBondContact O-N 3.49Å; V206-I208 VanDerWaalsContact C-N 3.31Å; V206-I208 PolarHBondContact O-N 3.23Å; V206-L211 HydrophobicContact CG1-CD1 3.33Å; V206-L211 HydrophobicContact CG1-CG 4.03Å
207	D	90.1	Very high	71.3	Confident	107 Å²	107	76.7 Å²	76.7	57%	0.572	47%	0.466	S	S	*	.			trans	-72.4	91.7	174.8	-174.6	-15.3	0	0	0	108.9	V205 G209 A210 L211	V205-D207 PolarHBondContact O-N 2.88Å; D207-G209 PolarHBondContact O-N 3.48Å; D207-G209 WeakPolarHBondContact OD1-CA 3.26Å; D207-G209 PolarHBondContact OD1-N 3.07Å; D207-A210 HydrophobicContact CB-CB 3.81Å; D207-A210 VanDerWaalsContact CG-CB 3.46Å; D207-A210 PolarHBondContact O-N 2.83Å; D207-A210 PolarHBondContact OD1-N 2.77Å; D207-L211 PolarHBondContact O-N 2.99Å
208	I	93.5	Very high	74.4	Confident	14 Å²	14	73.5 Å²	73.5	7%	0.072	43%	0.431	C	S	.	.	H	α-helix	trans	-60.2	-33.9	179.6	-63.2	179.3	0	0	0	110.8	V206 L211 L212 H237 A245 Q246 A249	V206-I208 VanDerWaalsContact C-N 3.31Å; V206-I208 PolarHBondContact O-N 3.23Å; I208-L211 PolarHBondContact O-N 3.25Å; I208-L212 HydrophobicContact CG2-CD1 4.24Å; I208-L212 WeakPolarHBondContact O-CB 3.42Å; I208-L212 VanDerWaalsContact O-CG 3.28Å; I208-L212 WeakPolarHBondContact O-CG 3.48Å; I208-L212 PolarHBondContact O-N 2.85Å; I208-H237 HydrophobicContact CD1-CB 4.07Å; I208-H237 HydrophobicContact CG1-CB 4.16Å; I208-A245 HydrophobicContact CB-CB 4.43Å; I208-A245 HydrophobicContact CD1-CB 4.06Å; I208-Q246 HydrophobicContact CD1-CG 3.9Å; I208-A249 HydrophobicContact CG2-CB 3.37Å
209	G	91.7	Very high	77.2	Confident	13 Å²	13	66 Å²	66	13%	0.134	40%	0.404	C	S	.	.	H	α-helix	trans	-66.5	-42.1	176.6	0	0	0	0	0	112	D207 L212 T213	D207-G209 PolarHBondContact O-N 3.48Å; D207-G209 WeakPolarHBondContact OD1-CA 3.26Å; D207-G209 PolarHBondContact OD1-N 3.07Å; G209-L212 PolarHBondContact O-N 2.86Å; G209-T213 WeakPolarHBondContact O-CB 3.47Å; G209-T213 PolarHBondContact O-N 3.36Å; G209-T213 PolarHBondContact O-OG1 3.28Å
210	A	94.5	Very high	79.9	Confident	50 Å²	50	63.5 Å²	63.5	41%	0.413	39%	0.389	S	S	.	.	H	α-helix	trans	-65	-40.8	173.6	0	0	0	0	0	112.1	D207 T213 S214	D207-A210 HydrophobicContact CB-CB 3.81Å; D207-A210 VanDerWaalsContact CG-CB 3.46Å; D207-A210 PolarHBondContact O-N 2.83Å; D207-A210 PolarHBondContact OD1-N 2.77Å; A210-T213 PolarHBondContact O-N 3.26Å; A210-S214 WeakPolarHBondContact O-CB 3.43Å; A210-S214 PolarHBondContact O-N 2.81Å
211	L	96.4	Very high	82.6	Confident	26 Å²	26	64.9 Å²	64.9	14%	0.136	38%	0.383	C	S	.	.	H	α-helix	trans	-62.5	-45.3	175.1	-74.4	-176.8	0	0	0	112.3	V206 D207 I208 T213 S214 C215 V230 Q233 V234	V206-L211 HydrophobicContact CG1-CD1 3.33Å; V206-L211 HydrophobicContact CG1-CG 4.03Å; D207-L211 PolarHBondContact O-N 2.99Å; I208-L211 PolarHBondContact O-N 3.25Å; L211-T213 VanDerWaalsContact C-N 3.32Å; L211-T213 PolarHBondContact O-N 3.21Å; L211-S214 PolarHBondContact O-N 2.77Å; L211-C215 WeakPolarHBondContact O-CB 3.38Å; L211-C215 PolarHBondContact O-N 2.85Å; L211-V230 HydrophobicContact CD2-CG1 4.34Å; L211-V230 VanDerWaalsContact O-CG1 3.32Å; L211-V230 WeakPolarHBondContact O-CG1 3.26Å; L211-Q233 HydrophobicContact CD1-CB 4.31Å; L211-V234 HydrophobicContact CB-CG2 3.75Å
212	L	97.5	Very high	85.2	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-58.4	-46.4	175.1	-76.9	171.3	0	0	0	111.1	I208 G209 C215 V216 V234 M248 A249 F252 I256 F479 L483	I208-L212 HydrophobicContact CG2-CD1 4.24Å; I208-L212 WeakPolarHBondContact O-CB 3.42Å; I208-L212 VanDerWaalsContact O-CG 3.28Å; I208-L212 WeakPolarHBondContact O-CG 3.48Å; I208-L212 PolarHBondContact O-N 2.85Å; G209-L212 PolarHBondContact O-N 2.86Å; L212-C215 WeakPolarHBondContact O-CB 3.48Å; L212-C215 PolarHBondContact O-N 2.87Å; L212-V216 WeakPolarHBondContact O-CG2 3.37Å; L212-V216 PolarHBondContact O-N 3.45Å; L212-V216 VanDerWaalsContact O-N 3.11Å; L212-V234 HydrophobicContact CD2-CG1 3.7Å; L212-V234 HydrophobicContact CD2-CG2 4.22Å; L212-V234 HydrophobicContact CG-CG1 4.33Å; L212-V234 HydrophobicContact CG-CG2 4.46Å; L212-M248 HydrophobicContact CD1-CE 4.18Å; L212-A249 HydrophobicContact CD1-CB 4.32Å; L212-F252 HydrophobicContact CD1-CB 4.24Å; L212-F252 HydrophobicContact CD1-CD1 4.13Å; L212-F252 HydrophobicContact CD1-CG 4.25Å; L212-F252 HydrophobicContact CD2-CB 3.67Å; L212-F252 HydrophobicContact CD2-CD1 4.35Å; L212-F252 HydrophobicContact CD2-CG 4.39Å; L212-I256 HydrophobicContact CD2-CD1 3.65Å; L212-F479 HydrophobicContact CB-CZ 4.17Å; L212-L483 HydrophobicContact CD1-CD1 4.05Å
213	T	96.2	Very high	88.2	Confident	46 Å²	46	56.4 Å²	56.4	28%	0.282	35%	0.345	S	S	.	.	H	α-helix	trans	-62.6	-43.7	177.5	-58	0	0	0	0	111.8	G209 A210 L211 C215 V216 K217	G209-T213 WeakPolarHBondContact O-CB 3.47Å; G209-T213 PolarHBondContact O-N 3.36Å; G209-T213 PolarHBondContact O-OG1 3.28Å; A210-T213 PolarHBondContact O-N 3.26Å; L211-T213 VanDerWaalsContact C-N 3.32Å; L211-T213 PolarHBondContact O-N 3.21Å; T213-C215 PolarHBondContact O-N 3.4Å; T213-V216 PolarHBondContact O-N 3.08Å; T213-K217 HydrophobicContact CG2-CD 4.3Å; T213-K217 WeakPolarHBondContact O-CG 3.33Å; T213-K217 PolarHBondContact O-N 3.12Å
214	S	96.8	Very high	90.5	Very high	57 Å²	57	56.1 Å²	56.1	40%	0.399	33%	0.334	S	S	.	.	H	α-helix	trans	-62.5	-41.5	177.2	176.6	0	0	0	0	111.9	A210 L211 V216 K217 A218	A210-S214 WeakPolarHBondContact O-CB 3.43Å; A210-S214 PolarHBondContact O-N 2.81Å; L211-S214 PolarHBondContact O-N 2.77Å; S214-V216 VanDerWaalsContact C-N 3.33Å; S214-V216 PolarHBondContact O-N 2.95Å; S214-K217 PolarHBondContact O-N 3.36Å; S214-A218 PolarHBondContact O-N 3.36Å
215	C	97.5	Very high	92.8	Very high	0 Å²	0	53 Å²	53	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-61.2	-42	176.6	-170.5	0	0	0	0	112.1	L211 L212 T213 L219 A227 V230 I256	L211-C215 WeakPolarHBondContact O-CB 3.38Å; L211-C215 PolarHBondContact O-N 2.85Å; L212-C215 WeakPolarHBondContact O-CB 3.48Å; L212-C215 PolarHBondContact O-N 2.87Å; T213-C215 PolarHBondContact O-N 3.4Å; C215-L219 PolarHBondContact O-N 3.26Å; C215-L219 VanDerWaalsContact O-N 3.16Å; C215-A227 PolarHBondContact SG-O 2.95Å; C215-V230 HydrophobicContact CB-CB 4.08Å; C215-V230 HydrophobicContact CB-CG1 3.74Å; C215-I256 VanDerWaalsContact SG-CG2 3.55Å
216	V	96.1	Very high	94.3	Very high	1 Å²	1	49 Å²	49	1%	0.006	30%	0.299	C	S	.	.	H	α-helix	trans	-74.6	-34.1	-179.4	176.2	0	0	0	0	111.9	L212 T213 S214 L219 A220 I256 F475 L476 F479	L212-V216 WeakPolarHBondContact O-CG2 3.37Å; L212-V216 PolarHBondContact O-N 3.45Å; L212-V216 VanDerWaalsContact O-N 3.11Å; T213-V216 PolarHBondContact O-N 3.08Å; S214-V216 VanDerWaalsContact C-N 3.33Å; S214-V216 PolarHBondContact O-N 2.95Å; V216-L219 WeakPolarHBondContact O-CB 3.25Å; V216-L219 PolarHBondContact O-N 3.06Å; V216-A220 PolarHBondContact O-N 3.23Å; V216-I256 HydrophobicContact CG2-CD1 4.02Å; V216-I256 HydrophobicContact CG2-CG1 4.24Å; V216-F475 HydrophobicContact CG1-CD1 4.18Å; V216-F475 HydrophobicContact CG1-CE1 3.41Å; V216-F475 VanDerWaalsContact CG1-CE1 3.41Å; V216-F475 HydrophobicContact CG1-CZ 3.73Å; V216-L476 HydrophobicContact CG1-CD2 3.88Å; V216-F479 HydrophobicContact CB-CD1 3.98Å; V216-F479 HydrophobicContact CB-CE1 4.06Å; V216-F479 HydrophobicContact CB-CG 4.21Å; V216-F479 HydrophobicContact CB-CZ 4.35Å; V216-F479 HydrophobicContact CG1-CB 4Å; V216-F479 HydrophobicContact CG1-CD1 3.89Å; V216-F479 HydrophobicContact CG1-CD2 4.18Å; V216-F479 HydrophobicContact CG1-CE1 4.45Å; V216-F479 HydrophobicContact CG1-CG 3.73Å; V216-F479 HydrophobicContact CG2-CD1 3.97Å; V216-F479 HydrophobicContact CG2-CD2 3.8Å; V216-F479 HydrophobicContact CG2-CE1 3.73Å; V216-F479 HydrophobicContact CG2-CE2 3.56Å; V216-F479 HydrophobicContact CG2-CG 4Å; V216-F479 HydrophobicContact CG2-CZ 3.52Å
217	K	96.3	Very high	95.1	Very high	111 Å²	111	46.3 Å²	46.3	48%	0.483	28%	0.283	S	S	.	.	H	α-helix	trans	-60.5	-49.9	170.2	-75.9	178.6	175.9	-175.5	0	111.6	T213 S214 L219 A220 D221 L476	T213-K217 HydrophobicContact CG2-CD 4.3Å; T213-K217 WeakPolarHBondContact O-CG 3.33Å; T213-K217 PolarHBondContact O-N 3.12Å; S214-K217 PolarHBondContact O-N 3.36Å; K217-L219 PolarHBondContact O-N 3.31Å; K217-A220 WeakPolarHBondContact O-CA 3.49Å; K217-A220 WeakPolarHBondContact O-CB 3.22Å; K217-A220 PolarHBondContact O-N 3.14Å; K217-D221 VanDerWaalsContact O-CG 3.24Å; K217-D221 PolarHBondContact O-N 3.21Å; K217-L476 HydrophobicContact CG-CD2 3.93Å
218	A	97.3	Very high	95.4	Very high	13 Å²	13	47.4 Å²	47.4	11%	0.107	28%	0.279	C	S	.	.	H	α-helix	trans	-57	-36.8	176.1	0	0	0	0	0	112.7	S214 D221 G222 D223 A226 A227	S214-A218 PolarHBondContact O-N 3.36Å; A218-D221 PolarHBondContact O-N 2.92Å; A218-G222 PolarHBondContact O-N 3.36Å; A218-D223 CarbonylContact O-C 3.58Å; A218-D223 PolarHBondContact O-N 3.42Å; A218-A226 HydrophobicContact CB-CB 4.07Å; A218-A227 HydrophobicContact CB-CB 4.03Å
219	L	93.6	Very high	95.6	Very high	19 Å²	19	51.4 Å²	51.4	10%	0.099	30%	0.3	C	S	.	.	H	α-helix	trans	-65.1	-42.9	172.3	-82.6	172.4	0	0	0	113.4	C215 V216 K217 D221 G222 A227 I256 I260	C215-L219 PolarHBondContact O-N 3.26Å; C215-L219 VanDerWaalsContact O-N 3.16Å; V216-L219 WeakPolarHBondContact O-CB 3.25Å; V216-L219 PolarHBondContact O-N 3.06Å; K217-L219 PolarHBondContact O-N 3.31Å; L219-D221 VanDerWaalsContact C-N 3.28Å; L219-G222 PolarHBondContact O-N 3.29Å; L219-A227 HydrophobicContact CD2-CB 3.8Å; L219-A227 HydrophobicContact CG-CB 3.66Å; L219-I256 HydrophobicContact CD1-CG2 3.94Å; L219-I260 HydrophobicContact CD1-CD1 4.39Å; L219-I260 HydrophobicContact CD1-CG1 3.83Å; L219-I260 HydrophobicContact CD2-CB 4.4Å; L219-I260 HydrophobicContact CD2-CD1 4.38Å; L219-I260 HydrophobicContact CD2-CG1 3.4Å; L219-I260 HydrophobicContact CG-CG1 4.02Å
220	A	92	Very high	95.9	Very high	50 Å²	50	51.8 Å²	51.8	41%	0.413	30%	0.3	S	S	.	.	H	α-helix	trans	-66.3	-33	178.3	0	0	0	0	0	111.8	V216 K217 G222 L476	V216-A220 PolarHBondContact O-N 3.23Å; K217-A220 WeakPolarHBondContact O-CA 3.49Å; K217-A220 WeakPolarHBondContact O-CB 3.22Å; K217-A220 PolarHBondContact O-N 3.14Å; A220-G222 PolarHBondContact O-N 2.88Å; A220-L476 HydrophobicContact CB-CD1 3.7Å; A220-L476 HydrophobicContact CB-CD2 3.92Å; A220-L476 HydrophobicContact CB-CG 3.73Å
221	D	93.6	Very high	96.1	Very high	130 Å²	130	49.8 Å²	49.8	70%	0.695	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-2.9	176.6	-58.9	-25.6	0	0	0	113	K217 A218 L219 D223	K217-D221 VanDerWaalsContact O-CG 3.24Å; K217-D221 PolarHBondContact O-N 3.21Å; A218-D221 PolarHBondContact O-N 2.92Å; L219-D221 VanDerWaalsContact C-N 3.28Å; D221-D223 VanDerWaalsContact C-N 3.29Å; D221-D223 PolarHBondContact O-N 3.07Å
222	G	92	Very high	96.2	Very high	48 Å²	48	50.8 Å²	50.8	50%	0.495	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.2	2.7	-178.7	0	0	0	0	0	115.1	A218 L219 A220 H224	A218-G222 PolarHBondContact O-N 3.36Å; L219-G222 PolarHBondContact O-N 3.29Å; A220-G222 PolarHBondContact O-N 2.88Å; G222-H224 PolarHBondContact O-N 3.13Å
223	D	95.9	Very high	96.2	Very high	79 Å²	79	55.1 Å²	55.1	42%	0.422	31%	0.314	S	S	.	.			trans	-83.2	79	177.2	-168.8	-14	0	0	0	111.4	A218 D221 V225 A226 A227	A218-D223 CarbonylContact O-C 3.58Å; A218-D223 PolarHBondContact O-N 3.42Å; D221-D223 VanDerWaalsContact C-N 3.29Å; D221-D223 PolarHBondContact O-N 3.07Å; D223-V225 PolarHBondContact O-N 2.98Å; D223-V225 PolarHBondContact OD1-N 3.5Å; D223-V225 VanDerWaalsContact OD1-N 3.14Å; D223-A226 HydrophobicContact CB-CB 4.09Å; D223-A226 PolarHBondContact O-N 3.47Å; D223-A226 PolarHBondContact OD1-N 2.83Å; D223-A226 WeakPolarHBondContact OD2-CB 3.35Å; D223-A227 WeakPolarHBondContact O-CB 3.46Å; D223-A227 PolarHBondContact O-N 3.45Å
224	H	94.2	Very high	96.2	Very high	85 Å²	85	52.9 Å²	52.9	39%	0.394	30%	0.301	S	S	.	.	H	α-helix	trans	-63.3	-23.3	177.4	-67	-66.4	0	0	0	113.7	G222 R228	G222-H224 PolarHBondContact O-N 3.13Å; H224-R228 WeakPolarHBondContact O-CB 3.42Å; H224-R228 VanDerWaalsContact O-CG 3.23Å; H224-R228 WeakPolarHBondContact O-CG 3.43Å; H224-R228 PolarHBondContact O-N 3.02Å; H224-R228 VanDerWaalsContact O-N 3.08Å
225	V	96.5	Very high	96.2	Very high	93 Å²	93	54.3 Å²	54.3	56%	0.564	30%	0.3	S	S	*	.	H	α-helix	trans	-75.7	-50.2	178.6	176.6	0	0	0	0	109.5	D223 A227 R228 N229	D223-V225 PolarHBondContact O-N 2.98Å; D223-V225 PolarHBondContact OD1-N 3.5Å; D223-V225 VanDerWaalsContact OD1-N 3.14Å; V225-A227 VanDerWaalsContact C-N 3.32Å; V225-A227 PolarHBondContact O-N 3.43Å; V225-R228 PolarHBondContact O-N 3.11Å; V225-N229 VanDerWaalsContact O-CG 3.27Å; V225-N229 PolarHBondContact O-N 3.46Å; V225-N229 PolarHBondContact O-ND2 3.06Å
226	A	97.6	Very high	96.2	Very high	30 Å²	30	61.5 Å²	61.5	25%	0.248	33%	0.333	C	S	.	.	H	α-helix	trans	-59.5	-44.2	173.5	0	0	0	0	0	111.1	A218 D223 R228 N229 V230	A218-A226 HydrophobicContact CB-CB 4.07Å; D223-A226 HydrophobicContact CB-CB 4.09Å; D223-A226 PolarHBondContact O-N 3.47Å; D223-A226 PolarHBondContact OD1-N 2.83Å; D223-A226 WeakPolarHBondContact OD2-CB 3.35Å; A226-R228 PolarHBondContact O-N 3.48Å; A226-N229 PolarHBondContact O-N 3.42Å; A226-N229 VanDerWaalsContact O-N 3.15Å; A226-V230 WeakPolarHBondContact O-CG2 3.32Å; A226-V230 PolarHBondContact O-N 2.87Å
227	A	97.4	Very high	96.1	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-56.4	-45.9	176.1	0	0	0	0	0	112.6	C215 A218 L219 D223 V225 N229 V230 L231 I260	C215-A227 PolarHBondContact SG-O 2.95Å; A218-A227 HydrophobicContact CB-CB 4.03Å; L219-A227 HydrophobicContact CD2-CB 3.8Å; L219-A227 HydrophobicContact CG-CB 3.66Å; D223-A227 WeakPolarHBondContact O-CB 3.46Å; D223-A227 PolarHBondContact O-N 3.45Å; V225-A227 VanDerWaalsContact C-N 3.32Å; V225-A227 PolarHBondContact O-N 3.43Å; A227-N229 PolarHBondContact O-N 2.68Å; A227-V230 PolarHBondContact O-N 2.84Å; A227-L231 VanDerWaalsContact O-CB 3.25Å; A227-L231 WeakPolarHBondContact O-CB 3.43Å; A227-L231 PolarHBondContact O-N 3.21Å; A227-I260 HydrophobicContact CB-CD1 4.18Å; A227-I260 HydrophobicContact CB-CG1 4.47Å
228	R	97.7	Very high	96.1	Very high	131 Å²	131	60.1 Å²	60.1	49%	0.494	33%	0.332	S	S	.	.	H	α-helix	trans	-63.8	-40.2	176.5	-76.4	174.8	-176	125.5	2	112.3	H224 V225 A226 L231 A232 I260	H224-R228 WeakPolarHBondContact O-CB 3.42Å; H224-R228 VanDerWaalsContact O-CG 3.23Å; H224-R228 WeakPolarHBondContact O-CG 3.43Å; H224-R228 PolarHBondContact O-N 3.02Å; H224-R228 VanDerWaalsContact O-N 3.08Å; V225-R228 PolarHBondContact O-N 3.11Å; A226-R228 PolarHBondContact O-N 3.48Å; R228-L231 PolarHBondContact O-N 3.25Å; R228-A232 PolarHBondContact O-N 3.49Å; R228-I260 HydrophobicContact CG-CD1 4.29Å; R228-I260 HydrophobicContact CG-CG2 3.78Å
229	N	97.9	Very high	95.9	Very high	98 Å²	98	61.2 Å²	61.2	52%	0.524	34%	0.339	S	S	.	.	H	α-helix	trans	-65.3	-43.4	178.1	-69.4	-21.4	0	0	0	111.8	V225 A226 A227 A232 Q233	V225-N229 VanDerWaalsContact O-CG 3.27Å; V225-N229 PolarHBondContact O-N 3.46Å; V225-N229 PolarHBondContact O-ND2 3.06Å; A226-N229 PolarHBondContact O-N 3.42Å; A226-N229 VanDerWaalsContact O-N 3.15Å; A227-N229 PolarHBondContact O-N 2.68Å; N229-A232 WeakPolarHBondContact O-CB 3.41Å; N229-A232 PolarHBondContact O-N 3.19Å; N229-Q233 PolarHBondContact O-N 2.79Å
230	V	97.7	Very high	95.8	Very high	20 Å²	20	61.5 Å²	61.5	12%	0.121	34%	0.344	C	S	.	.	H	α-helix	trans	-69.6	-39.5	176.2	-177	0	0	0	0	110.7	L211 C215 A226 A227 A232 Q233 V234	L211-V230 HydrophobicContact CD2-CG1 4.34Å; L211-V230 VanDerWaalsContact O-CG1 3.32Å; L211-V230 WeakPolarHBondContact O-CG1 3.26Å; C215-V230 HydrophobicContact CB-CB 4.08Å; C215-V230 HydrophobicContact CB-CG1 3.74Å; A226-V230 WeakPolarHBondContact O-CG2 3.32Å; A226-V230 PolarHBondContact O-N 2.87Å; A227-V230 PolarHBondContact O-N 2.84Å; V230-A232 VanDerWaalsContact C-N 3.27Å; V230-A232 PolarHBondContact O-N 2.93Å; V230-Q233 WeakPolarHBondContact O-CA 3.31Å; V230-Q233 WeakPolarHBondContact O-CB 3.42Å; V230-Q233 PolarHBondContact O-N 2.74Å; V230-V234 PolarHBondContact O-N 2.83Å
231	L	98.1	Very high	95.7	Very high	9 Å²	9	64.5 Å²	64.5	5%	0.047	36%	0.357	C	S	.	.	H	α-helix	trans	-59	-38.9	173.8	177.7	61.3	0	0	0	111.8	A227 R228 Q233 V234 K235 A253 I256 E257 I260	A227-L231 VanDerWaalsContact O-CB 3.25Å; A227-L231 WeakPolarHBondContact O-CB 3.43Å; A227-L231 PolarHBondContact O-N 3.21Å; R228-L231 PolarHBondContact O-N 3.25Å; L231-Q233 VanDerWaalsContact C-N 3.29Å; L231-Q233 PolarHBondContact O-N 3.01Å; L231-V234 PolarHBondContact O-N 2.67Å; L231-K235 HydrophobicContact CD1-CG 4.37Å; L231-K235 HydrophobicContact CG-CD 4.48Å; L231-K235 WeakPolarHBondContact O-CG 3.42Å; L231-K235 PolarHBondContact O-N 2.8Å; L231-A253 HydrophobicContact CD1-CB 3.92Å; L231-I256 HydrophobicContact CD1-CB 4.25Å; L231-I256 HydrophobicContact CD1-CG2 4.02Å; L231-I256 HydrophobicContact CD2-CG2 4.27Å; L231-E257 HydrophobicContact CD2-CB 3.9Å; L231-E257 HydrophobicContact CD2-CG 4.49Å; L231-I260 HydrophobicContact CB-CD1 4.36Å; L231-I260 HydrophobicContact CD2-CD1 3.67Å
232	A	97.8	Very high	95.6	Very high	47 Å²	47	59 Å²	59	39%	0.388	33%	0.331	S	S	.	.	H	α-helix	trans	-60.7	-39.9	174.7	0	0	0	0	0	111.7	R228 N229 V230 K235 Q236	R228-A232 PolarHBondContact O-N 3.49Å; N229-A232 WeakPolarHBondContact O-CB 3.41Å; N229-A232 PolarHBondContact O-N 3.19Å; V230-A232 VanDerWaalsContact C-N 3.27Å; V230-A232 PolarHBondContact O-N 2.93Å; A232-K235 PolarHBondContact O-N 2.97Å; A232-Q236 WeakPolarHBondContact O-CG 3.42Å; A232-Q236 PolarHBondContact O-N 3.3Å; A232-Q236 VanDerWaalsContact O-N 3.09Å
233	Q	97.2	Very high	95.6	Very high	90 Å²	90	59.8 Å²	59.8	42%	0.421	32%	0.324	S	S	.	.	H	α-helix	trans	-65.7	-44.3	173.6	-62.9	175.9	41.6	0	0	111.8	L211 N229 V230 L231 K235 Q236 H237	L211-Q233 HydrophobicContact CD1-CB 4.31Å; N229-Q233 PolarHBondContact O-N 2.79Å; V230-Q233 WeakPolarHBondContact O-CA 3.31Å; V230-Q233 WeakPolarHBondContact O-CB 3.42Å; V230-Q233 PolarHBondContact O-N 2.74Å; L231-Q233 VanDerWaalsContact C-N 3.29Å; L231-Q233 PolarHBondContact O-N 3.01Å; Q233-K235 VanDerWaalsContact C-N 3.27Å; Q233-K235 PolarHBondContact O-N 2.82Å; Q233-Q236 WeakPolarHBondContact O-CB 3.4Å; Q233-Q236 PolarHBondContact O-N 2.83Å; Q233-Q236 VanDerWaalsContact O-N 3.12Å; Q233-H237 PolarHBondContact O-CD2 2.92Å; Q233-H237 PolarHBondContact O-N 3.33Å
234	V	97.1	Very high	95.6	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-55.2	-45.7	174.2	172.4	0	0	0	0	110.5	L211 L212 V230 L231 Q236 H237 A238 A249 A253	L211-V234 HydrophobicContact CB-CG2 3.75Å; L212-V234 HydrophobicContact CD2-CG1 3.7Å; L212-V234 HydrophobicContact CD2-CG2 4.22Å; L212-V234 HydrophobicContact CG-CG1 4.33Å; L212-V234 HydrophobicContact CG-CG2 4.46Å; V230-V234 PolarHBondContact O-N 2.83Å; L231-V234 PolarHBondContact O-N 2.67Å; V234-Q236 VanDerWaalsContact C-N 3.32Å; V234-Q236 PolarHBondContact O-N 3.22Å; V234-H237 CarbonylContact O-C 3.56Å; V234-H237 PolarHBondContact O-N 2.92Å; V234-H237 VanDerWaalsContact O-N 3.13Å; V234-A238 WeakPolarHBondContact O-CB 3.12Å; V234-A238 PolarHBondContact O-N 2.87Å; V234-A249 HydrophobicContact CG1-CB 4.14Å; V234-A253 HydrophobicContact CG1-CB 4.31Å
235	K	97.3	Very high	95.7	Very high	87 Å²	87	54.7 Å²	54.7	38%	0.378	31%	0.307	S	S	.	.	H	α-helix	trans	-64.3	-32.6	179.2	-74.9	-177.2	171.2	-165	0	113.3	L231 A232 Q233 H237 A238 A253 E257	L231-K235 HydrophobicContact CD1-CG 4.37Å; L231-K235 HydrophobicContact CG-CD 4.48Å; L231-K235 WeakPolarHBondContact O-CG 3.42Å; L231-K235 PolarHBondContact O-N 2.8Å; A232-K235 PolarHBondContact O-N 2.97Å; Q233-K235 VanDerWaalsContact C-N 3.27Å; Q233-K235 PolarHBondContact O-N 2.82Å; K235-H237 PolarHBondContact O-N 3.49Å; K235-A238 PolarHBondContact O-N 2.81Å; K235-A253 HydrophobicContact CG-CB 4.16Å; K235-E257 IonicContact NZ-OE1 3.77Å; K235-E257 PolarHBondContact NZ-OE1 3.45Å; K235-E257 IonicContact NZ-OE2 2.71Å; K235-E257 PolarHBondContact NZ-OE2 3.15Å
236	Q	96.4	Very high	95.6	Very high	150 Å²	150	53 Å²	53	70%	0.701	29%	0.293	S	S	*	.	H	α-helix	trans	-65.8	-26.8	174.7	-72.2	171.9	7.7	0	0	112.8	A232 Q233 V234	A232-Q236 WeakPolarHBondContact O-CG 3.42Å; A232-Q236 PolarHBondContact O-N 3.3Å; A232-Q236 VanDerWaalsContact O-N 3.09Å; Q233-Q236 WeakPolarHBondContact O-CB 3.4Å; Q233-Q236 PolarHBondContact O-N 2.83Å; Q233-Q236 VanDerWaalsContact O-N 3.12Å; V234-Q236 VanDerWaalsContact C-N 3.32Å; V234-Q236 PolarHBondContact O-N 3.22Å
237	H	94.7	Very high	95.5	Very high	63 Å²	63	51.6 Å²	51.6	29%	0.292	28%	0.282	S	S	.	.	H	α-helix	trans	-102.3	-13.2	179.3	-63.1	-64	0	0	0	113.8	I208 Q233 V234 K235 Q246	I208-H237 HydrophobicContact CD1-CB 4.07Å; I208-H237 HydrophobicContact CG1-CB 4.16Å; Q233-H237 PolarHBondContact O-CD2 2.92Å; Q233-H237 PolarHBondContact O-N 3.33Å; V234-H237 CarbonylContact O-C 3.56Å; V234-H237 PolarHBondContact O-N 2.92Å; V234-H237 VanDerWaalsContact O-N 3.13Å; K235-H237 PolarHBondContact O-N 3.49Å; H237-Q246 VanDerWaalsContact O-CG 3.31Å; H237-Q246 WeakPolarHBondContact O-CG 3.49Å; H237-Q246 PolarHBondContact O-NE2 2.87Å
238	A	95.9	Very high	95.5	Very high	20 Å²	20	51.9 Å²	51.9	17%	0.165	28%	0.283	C	S	.	.			trans	-75.4	139.5	178.3	0	0	0	0	0	112	V234 K235 A249 H250	V234-A238 WeakPolarHBondContact O-CB 3.12Å; V234-A238 PolarHBondContact O-N 2.87Å; K235-A238 PolarHBondContact O-N 2.81Å; A238-A249 HydrophobicContact CB-CB 4.06Å; A238-H250 HydrophobicContact CB-CB 4.16Å
239	S	94.1	Very high	95.4	Very high	36 Å²	36	45.6 Å²	45.6	25%	0.252	26%	0.259	S	S	.	.			trans	-149.5	132	175.7	172	0	0	0	0	110	T241 G242 Q246 R247	S239-T241 PolarHBondContact O-N 3.28Å; S239-T241 PolarHBondContact OG-N 3.48Å; S239-G242 PolarHBondContact OG-N 2.86Å; S239-G242 VanDerWaalsContact OG-N 3.11Å; S239-Q246 PolarHBondContact N-O 3.45Å; S239-Q246 CarbonylContact O-C 3.47Å; S239-Q246 VanDerWaalsContact O-C 3.28Å; S239-R247 WeakPolarHBondContact O-CA 3.33Å; S239-R247 WeakPolarHBondContact O-CG 3.36Å; S239-R247 PolarHBondContact O-N 2.95Å
240	A	90.2	Very high	95.3	Very high	25 Å²	25	44.4 Å²	44.4	21%	0.207	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-14.7	179.7	0	0	0	0	0	113.9	L505	A240-L505 HydrophobicContact CB-CD1 3.82Å
241	T	89.9	Confident	95.2	Very high	114 Å²	114	43.5 Å²	43.5	70%	0.699	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-127.1	3.5	-177.8	56.1	0	0	0	0	113.3	S239	S239-T241 PolarHBondContact O-N 3.28Å; S239-T241 PolarHBondContact OG-N 3.48Å
242	G	92	Very high	95.2	Very high	14 Å²	14	43.1 Å²	43.1	14%	0.144	24%	0.243	C	C	.	.	S	Bend	trans	-70.5	-155.3	178.6	0	0	0	0	0	113.3	S239 Q246 R247	S239-G242 PolarHBondContact OG-N 2.86Å; S239-G242 VanDerWaalsContact OG-N 3.11Å; G242-Q246 VanDerWaalsContact CA-OE1 3.25Å; G242-R247 WeakPolarHBondContact O-CD 3.49Å; G242-R247 PolarHBondContact O-NH1 2.76Å
243	D	93	Very high	95.2	Very high	65 Å²	65	41 Å²	41	35%	0.348	23%	0.226	S	C	.	.			trans	-71.9	178.7	171.5	69.8	40.7	0	0	0	113.1	A245 Q246 R247	D243-A245 VanDerWaalsContact C-N 3.33Å; D243-A245 PolarHBondContact O-N 2.84Å; D243-A245 PolarHBondContact OD1-N 3.35Å; D243-Q246 PolarHBondContact O-N 3.3Å; D243-Q246 WeakPolarHBondContact OD1-CG 3.33Å; D243-Q246 PolarHBondContact OD1-N 3.35Å; D243-R247 VanDerWaalsContact O-CG 3.3Å; D243-R247 WeakPolarHBondContact O-CG 3.3Å; D243-R247 PolarHBondContact O-N 3Å
244	A	94.8	Very high	95.1	Very high	17 Å²	17	41.2 Å²	41.2	14%	0.14	22%	0.223	C	C	.	.	H	α-helix	trans	-52.1	-46.4	-179.7	0	0	0	0	0	113.9	R247 M248 F490 D494	A244-R247 VanDerWaalsContact CA-NH2 3.3Å; A244-M248 VanDerWaalsContact O-CB 3.32Å; A244-M248 WeakPolarHBondContact O-CB 3.31Å; A244-M248 PolarHBondContact O-N 2.7Å; A244-F490 HydrophobicContact CB-CB 4.34Å; A244-D494 HydrophobicContact CB-CB 4.03Å
245	A	95.6	Very high	95.1	Very high	39 Å²	39	41.2 Å²	41.2	32%	0.322	22%	0.223	S	C	.	.	H	α-helix	trans	-69.7	-40.8	-177.1	0	0	0	0	0	110.9	I208 D243 R247 A249	I208-A245 HydrophobicContact CB-CB 4.43Å; I208-A245 HydrophobicContact CD1-CB 4.06Å; D243-A245 VanDerWaalsContact C-N 3.33Å; D243-A245 PolarHBondContact O-N 2.84Å; D243-A245 PolarHBondContact OD1-N 3.35Å; A245-R247 PolarHBondContact O-N 3.49Å; A245-A249 VanDerWaalsContact O-CB 3.29Å; A245-A249 WeakPolarHBondContact O-CB 3.42Å; A245-A249 PolarHBondContact O-N 3.4Å
246	Q	95.7	Very high	95.1	Very high	58 Å²	58	37 Å²	37	27%	0.271	21%	0.205	S	C	.	.	H	α-helix	trans	-64	-41	178.5	-61.8	-175.6	-65.7	0	0	112.5	I208 H237 S239 G242 D243 H250	I208-Q246 HydrophobicContact CD1-CG 3.9Å; H237-Q246 VanDerWaalsContact O-CG 3.31Å; H237-Q246 WeakPolarHBondContact O-CG 3.49Å; H237-Q246 PolarHBondContact O-NE2 2.87Å; S239-Q246 PolarHBondContact N-O 3.45Å; S239-Q246 CarbonylContact O-C 3.47Å; S239-Q246 VanDerWaalsContact O-C 3.28Å; G242-Q246 VanDerWaalsContact CA-OE1 3.25Å; D243-Q246 PolarHBondContact O-N 3.3Å; D243-Q246 WeakPolarHBondContact OD1-CG 3.33Å; D243-Q246 PolarHBondContact OD1-N 3.35Å; Q246-H250 PolarHBondContact O-N 3.27Å
247	R	95	Very high	95.1	Very high	1 Å²	1	34.2 Å²	34.2	0%	0.004	19%	0.191	C	C	.	.	H	α-helix	trans	-73.7	-38.9	-180	-64.1	-177.7	-47.1	-110.1	-1.7	112.8	S239 G242 D243 A244 A245 H250 C251 F490 D494 E508 Q509	S239-R247 WeakPolarHBondContact O-CA 3.33Å; S239-R247 WeakPolarHBondContact O-CG 3.36Å; S239-R247 PolarHBondContact O-N 2.95Å; G242-R247 WeakPolarHBondContact O-CD 3.49Å; G242-R247 PolarHBondContact O-NH1 2.76Å; D243-R247 VanDerWaalsContact O-CG 3.3Å; D243-R247 WeakPolarHBondContact O-CG 3.3Å; D243-R247 PolarHBondContact O-N 3Å; A244-R247 VanDerWaalsContact CA-NH2 3.3Å; A245-R247 PolarHBondContact O-N 3.49Å; R247-H250 WeakPolarHBondContact O-CB 3.31Å; R247-H250 PolarHBondContact O-N 3.02Å; R247-C251 PolarHBondContact O-N 3.05Å; R247-F490 HydrophobicContact CB-CD1 4.04Å; R247-F490 HydrophobicContact CB-CE1 3.88Å; R247-D494 IonicContact CZ-OD1 2.76Å; R247-D494 VanDerWaalsContact CZ-OD1 3.27Å; R247-D494 IonicContact NH1-OD1 3.21Å; R247-D494 PolarHBondContact NH1-OD1 2.93Å; R247-D494 IonicContact NH2-OD1 2.64Å; R247-D494 PolarHBondContact NH2-OD1 2.8Å; R247-E508 WeakPolarHBondContact CD-OE2 3.36Å; R247-E508 IonicContact CZ-OE1 3.83Å; R247-E508 IonicContact NE-OE1 3.57Å; R247-E508 IonicContact NE-OE2 3.43Å; R247-E508 PolarHBondContact NE-OE2 2.82Å; R247-E508 IonicContact NH2-OE1 3.02Å; R247-Q509 PolarHBondContact O-NE2 2.64Å
248	M	96.5	Very high	95.2	Very high	5 Å²	5	31.4 Å²	31.4	3%	0.025	18%	0.179	C	C	.	.	H	α-helix	trans	-60.7	-47.8	171.7	-177.7	-174.4	65.8	0	0	110.2	L212 A244 H250 C251 F252 L483 M487 F490	L212-M248 HydrophobicContact CD1-CE 4.18Å; A244-M248 VanDerWaalsContact O-CB 3.32Å; A244-M248 WeakPolarHBondContact O-CB 3.31Å; A244-M248 PolarHBondContact O-N 2.7Å; M248-H250 PolarHBondContact O-N 3.1Å; M248-C251 WeakPolarHBondContact O-CB 3.34Å; M248-C251 PolarHBondContact O-N 3.39Å; M248-F252 HydrophobicContact CG-CD2 3.71Å; M248-F252 HydrophobicContact CG-CE2 3.55Å; M248-F252 HydrophobicContact CG-CZ 4.33Å; M248-F252 WeakPolarHBondContact O-CD2 3.27Å; M248-F252 PolarHBondContact O-N 3.44Å; M248-F252 HydrophobicContact SD-CE2 4.22Å; M248-F252 HydrophobicContact SD-CZ 4.46Å; M248-L483 HydrophobicContact CE-CD1 3.76Å; M248-L483 HydrophobicContact SD-CD1 4.08Å; M248-M487 HydrophobicContact CE-CG 3.59Å; M248-M487 HydrophobicContact CE-SD 4.45Å; M248-M487 HydrophobicContact SD-CB 4.3Å; M248-M487 HydrophobicContact SD-CG 3.53Å; M248-M487 VanDerWaalsContact SD-CG 3.53Å; M248-F490 HydrophobicContact CB-CB 4.3Å; M248-F490 HydrophobicContact CB-CD1 3.94Å; M248-F490 HydrophobicContact CB-CD2 4.02Å; M248-F490 HydrophobicContact CB-CE1 4.26Å; M248-F490 HydrophobicContact CB-CE2 4.32Å; M248-F490 HydrophobicContact CB-CG 3.82Å; M248-F490 HydrophobicContact CB-CZ 4.45Å; M248-F490 HydrophobicContact CG-CD2 4.1Å; M248-F490 HydrophobicContact CG-CE2 4.35Å; M248-F490 HydrophobicContact CG-CG 4.37Å
249	A	97.3	Very high	95.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.6	-34.3	177	0	0	0	0	0	113.1	I208 L212 V234 A238 A245 C251 F252 A253	I208-A249 HydrophobicContact CG2-CB 3.37Å; L212-A249 HydrophobicContact CD1-CB 4.32Å; V234-A249 HydrophobicContact CG1-CB 4.14Å; A238-A249 HydrophobicContact CB-CB 4.06Å; A245-A249 VanDerWaalsContact O-CB 3.29Å; A245-A249 WeakPolarHBondContact O-CB 3.42Å; A245-A249 PolarHBondContact O-N 3.4Å; A249-C251 PolarHBondContact O-N 3.06Å; A249-F252 PolarHBondContact O-N 2.92Å; A249-A253 WeakPolarHBondContact O-CB 2.96Å; A249-A253 PolarHBondContact O-N 2.76Å
250	H	95.7	Very high	95.3	Very high	72 Å²	72	32.4 Å²	32.4	33%	0.333	17%	0.174	S	C	.	.	H	α-helix	trans	-61.9	-41.3	173	-166.1	78.8	0	0	0	112.2	A238 Q246 R247 M248 Q509	A238-H250 HydrophobicContact CB-CB 4.16Å; Q246-H250 PolarHBondContact O-N 3.27Å; R247-H250 WeakPolarHBondContact O-CB 3.31Å; R247-H250 PolarHBondContact O-N 3.02Å; M248-H250 PolarHBondContact O-N 3.1Å; H250-Q509 PolarHBondContact CD2-OE1 2.89Å; H250-Q509 VanDerWaalsContact CD2-OE1 3.32Å
251	C	94.8	Very high	95.5	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.014	19%	0.189	C	C	.	.	H	α-helix	trans	-64.2	-48.7	172.3	-67.1	0	0	0	0	112	R247 M248 A249 R254 E508 Q509 V516	R247-C251 PolarHBondContact O-N 3.05Å; M248-C251 WeakPolarHBondContact O-CB 3.34Å; M248-C251 PolarHBondContact O-N 3.39Å; A249-C251 PolarHBondContact O-N 3.06Å; C251-R254 PolarHBondContact O-N 3.25Å; C251-E508 PolarHBondContact SG-O 3.44Å; C251-Q509 PolarHBondContact SG-NE2 3.19Å; C251-Q509 PolarHBondContact SG-OE1 3.49Å; C251-V516 HydrophobicContact CB-CB 4.36Å; C251-V516 HydrophobicContact CB-CG1 4Å
252	F	98	Very high	95.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-65.7	-41.9	-174.3	-84.6	-123.7	0	0	0	111.8	L212 M248 A249 R254 G255 I256 F479 M482 L483 Y486 V516 I520	L212-F252 HydrophobicContact CD1-CB 4.24Å; L212-F252 HydrophobicContact CD1-CD1 4.13Å; L212-F252 HydrophobicContact CD1-CG 4.25Å; L212-F252 HydrophobicContact CD2-CB 3.67Å; L212-F252 HydrophobicContact CD2-CD1 4.35Å; L212-F252 HydrophobicContact CD2-CG 4.39Å; M248-F252 HydrophobicContact CG-CD2 3.71Å; M248-F252 HydrophobicContact CG-CE2 3.55Å; M248-F252 HydrophobicContact CG-CZ 4.33Å; M248-F252 WeakPolarHBondContact O-CD2 3.27Å; M248-F252 PolarHBondContact O-N 3.44Å; M248-F252 HydrophobicContact SD-CE2 4.22Å; M248-F252 HydrophobicContact SD-CZ 4.46Å; A249-F252 PolarHBondContact O-N 2.92Å; F252-R254 PolarHBondContact O-N 3.48Å; F252-G255 PolarHBondContact O-N 3.04Å; F252-I256 WeakPolarHBondContact O-CG1 3.29Å; F252-I256 PolarHBondContact O-N 3.34Å; F252-F479 AromaticContact CD1-CE2 3.61Å; F252-F479 HydrophobicContact CD1-CE2 3.61Å; F252-F479 AromaticContact CD1-CZ 3.75Å; F252-F479 HydrophobicContact CD1-CZ 3.75Å; F252-F479 AromaticContact CE1-CE2 3.71Å; F252-F479 HydrophobicContact CE1-CE2 3.71Å; F252-F479 AromaticContact CE1-CZ 3.89Å; F252-F479 HydrophobicContact CE1-CZ 3.89Å; F252-M482 HydrophobicContact CE1-CG 4.17Å; F252-M482 HydrophobicContact CE1-SD 3.82Å; F252-M482 HydrophobicContact CZ-CG 3.84Å; F252-M482 HydrophobicContact CZ-SD 3.89Å; F252-L483 HydrophobicContact CD1-CD1 4.29Å; F252-L483 HydrophobicContact CE1-CB 4.18Å; F252-L483 HydrophobicContact CE1-CD1 3.69Å; F252-L483 HydrophobicContact CZ-CD1 4.06Å; F252-Y486 HydrophobicContact CE2-CD2 4.25Å; F252-Y486 HydrophobicContact CE2-CG 4.23Å; F252-Y486 HydrophobicContact CZ-CD2 4.11Å; F252-Y486 HydrophobicContact CZ-CG 4.4Å; F252-V516 HydrophobicContact CD2-CG1 3.41Å; F252-V516 VanDerWaalsContact CD2-CG1 3.41Å; F252-V516 HydrophobicContact CE2-CG1 3.58Å; F252-V516 HydrophobicContact CE2-CG2 4.16Å; F252-V516 HydrophobicContact CG-CG1 4.09Å; F252-V516 HydrophobicContact CZ-CG1 4.36Å; F252-I520 HydrophobicContact CB-CD1 4.03Å; F252-I520 HydrophobicContact CD1-CD1 3.62Å; F252-I520 HydrophobicContact CD2-CD1 4.42Å; F252-I520 HydrophobicContact CE1-CD1 4.13Å; F252-I520 HydrophobicContact CG-CD1 3.78Å
253	A	98	Very high	95.8	Very high	4 Å²	4	33.6 Å²	33.6	3%	0.033	20%	0.197	C	C	.	.	H	α-helix	trans	-55.9	-36.7	-179.5	0	0	0	0	0	112.4	L231 V234 K235 A249 I256 E257	L231-A253 HydrophobicContact CD1-CB 3.92Å; V234-A253 HydrophobicContact CG1-CB 4.31Å; K235-A253 HydrophobicContact CG-CB 4.16Å; A249-A253 WeakPolarHBondContact O-CB 2.96Å; A249-A253 PolarHBondContact O-N 2.76Å; A253-I256 PolarHBondContact O-N 3.26Å; A253-E257 VanDerWaalsContact O-CB 3.22Å; A253-E257 WeakPolarHBondContact O-CB 3.31Å; A253-E257 PolarHBondContact O-N 3.07Å
254	R	95.3	Very high	95.8	Very high	93 Å²	93	30.6 Å²	30.6	35%	0.351	18%	0.181	S	C	.	.	H	α-helix	trans	-65.2	-42.6	176.8	-63.9	173.3	68	-172.3	6.5	112.2	C251 F252 A258 R271 Q509 F517	C251-R254 PolarHBondContact O-N 3.25Å; F252-R254 PolarHBondContact O-N 3.48Å; R254-A258 WeakPolarHBondContact O-CB 3.44Å; R254-A258 PolarHBondContact O-N 3.47Å; R254-A258 VanDerWaalsContact O-N 3.15Å; R254-R271 VanDerWaalsContact NH2-CZ 3.34Å; R254-R271 VanDerWaalsContact NH2-NH2 3.2Å; R254-Q509 PolarHBondContact NH1-O 2.76Å; R254-F517 HydrophobicContact CB-CD2 4.25Å; R254-F517 WeakPolarHBondContact O-CE2 3.47Å
255	G	96.9	Very high	95.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-67.6	-43.9	176.9	0	0	0	0	0	111.9	F252 A258 R259 I520 S521	F252-G255 PolarHBondContact O-N 3.04Å; G255-A258 PolarHBondContact O-N 3Å; G255-R259 WeakPolarHBondContact O-CB 3.48Å; G255-R259 PolarHBondContact O-N 3.47Å; G255-I520 VanDerWaalsContact C-CG2 3.48Å; G255-S521 WeakPolarHBondContact O-CB 3.35Å
256	I	97.5	Very high	95.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63.3	-44.7	178.3	-65.6	172.7	0	0	0	110.7	L212 C215 V216 L219 L231 F252 A253 R259 I260 I520	L212-I256 HydrophobicContact CD2-CD1 3.65Å; C215-I256 VanDerWaalsContact SG-CG2 3.55Å; V216-I256 HydrophobicContact CG2-CD1 4.02Å; V216-I256 HydrophobicContact CG2-CG1 4.24Å; L219-I256 HydrophobicContact CD1-CG2 3.94Å; L231-I256 HydrophobicContact CD1-CB 4.25Å; L231-I256 HydrophobicContact CD1-CG2 4.02Å; L231-I256 HydrophobicContact CD2-CG2 4.27Å; F252-I256 WeakPolarHBondContact O-CG1 3.29Å; F252-I256 PolarHBondContact O-N 3.34Å; A253-I256 PolarHBondContact O-N 3.26Å; I256-R259 WeakPolarHBondContact O-CB 3.49Å; I256-R259 PolarHBondContact O-N 2.89Å; I256-I260 HydrophobicContact CG2-CD1 3.95Å; I256-I260 HydrophobicContact CG2-CG1 4.49Å; I256-I260 WeakPolarHBondContact O-CG1 3.21Å; I256-I260 PolarHBondContact O-N 3.46Å; I256-I520 HydrophobicContact CG1-CG2 3.9Å
257	E	97.2	Very high	95.4	Very high	90 Å²	90	36.6 Å²	36.6	42%	0.421	20%	0.197	S	C	.	.	H	α-helix	trans	-59.2	-48.2	176.9	-179.5	161.8	-127.7	0	0	112.2	L231 K235 A253 R259 I260 A261	L231-E257 HydrophobicContact CD2-CB 3.9Å; L231-E257 HydrophobicContact CD2-CG 4.49Å; K235-E257 IonicContact NZ-OE1 3.77Å; K235-E257 PolarHBondContact NZ-OE1 3.45Å; K235-E257 IonicContact NZ-OE2 2.71Å; K235-E257 PolarHBondContact NZ-OE2 3.15Å; A253-E257 VanDerWaalsContact O-CB 3.22Å; A253-E257 WeakPolarHBondContact O-CB 3.31Å; A253-E257 PolarHBondContact O-N 3.07Å; E257-R259 VanDerWaalsContact C-N 3.26Å; E257-R259 PolarHBondContact O-N 3.21Å; E257-I260 PolarHBondContact O-N 2.75Å; E257-A261 WeakPolarHBondContact O-CB 3.49Å; E257-A261 PolarHBondContact O-N 3.4Å
258	A	96.6	Very high	95	Very high	4 Å²	4	37.8 Å²	37.8	3%	0.033	20%	0.202	C	C	.	.	H	α-helix	trans	-62.8	-34	177.1	0	0	0	0	0	112.4	R254 G255 A261 G262 T263 G264 I267 F517	R254-A258 WeakPolarHBondContact O-CB 3.44Å; R254-A258 PolarHBondContact O-N 3.47Å; R254-A258 VanDerWaalsContact O-N 3.15Å; G255-A258 PolarHBondContact O-N 3Å; A258-A261 PolarHBondContact O-N 3.48Å; A258-G262 PolarHBondContact O-N 3.3Å; A258-G262 VanDerWaalsContact O-N 3.07Å; A258-T263 PolarHBondContact O-N 2.93Å; A258-T263 PolarHBondContact O-OG1 2.89Å; A258-G264 PolarHBondContact O-N 3.37Å; A258-I267 HydrophobicContact CB-CD1 3.96Å; A258-F517 HydrophobicContact CB-CE2 3.54Å; A258-F517 HydrophobicContact CB-CZ 3.55Å
259	R	95.3	Very high	94.6	Very high	61 Å²	61	43.4 Å²	43.4	23%	0.23	22%	0.223	C	C	.	.	H	α-helix	trans	-67.9	-46.8	174.3	-165.9	-176.3	-174.7	87.8	1.6	111.8	G255 I256 E257 A261 G262 F475 I520 E523	G255-R259 WeakPolarHBondContact O-CB 3.48Å; G255-R259 PolarHBondContact O-N 3.47Å; I256-R259 WeakPolarHBondContact O-CB 3.49Å; I256-R259 PolarHBondContact O-N 2.89Å; E257-R259 VanDerWaalsContact C-N 3.26Å; E257-R259 PolarHBondContact O-N 3.21Å; R259-A261 PolarHBondContact O-N 2.98Å; R259-G262 PolarHBondContact O-N 3.32Å; R259-F475 VanDerWaalsContact CZ-CZ 3.46Å; R259-F475 VanDerWaalsContact NH1-CE2 3.31Å; R259-I520 WeakPolarHBondContact CD-O 3.21Å; R259-I520 PolarHBondContact NH1-O 3.44Å; R259-E523 IonicContact CZ-OE1 3.03Å; R259-E523 IonicContact NH1-OE1 3.43Å; R259-E523 PolarHBondContact NH1-OE1 3.4Å; R259-E523 IonicContact NH2-OE1 3.61Å; R259-E523 PolarHBondContact NH2-OE1 3.26Å
260	I	95.3	Very high	94	Very high	16 Å²	16	47.3 Å²	47.3	8%	0.082	24%	0.243	C	C	.	.	H	α-helix	trans	-56.9	-38.4	175.4	-71.3	166.8	0	0	0	111	L219 A227 R228 L231 I256 E257 G262	L219-I260 HydrophobicContact CD1-CD1 4.39Å; L219-I260 HydrophobicContact CD1-CG1 3.83Å; L219-I260 HydrophobicContact CD2-CB 4.4Å; L219-I260 HydrophobicContact CD2-CD1 4.38Å; L219-I260 HydrophobicContact CD2-CG1 3.4Å; L219-I260 HydrophobicContact CG-CG1 4.02Å; A227-I260 HydrophobicContact CB-CD1 4.18Å; A227-I260 HydrophobicContact CB-CG1 4.47Å; R228-I260 HydrophobicContact CG-CD1 4.29Å; R228-I260 HydrophobicContact CG-CG2 3.78Å; L231-I260 HydrophobicContact CB-CD1 4.36Å; L231-I260 HydrophobicContact CD2-CD1 3.67Å; I256-I260 HydrophobicContact CG2-CD1 3.95Å; I256-I260 HydrophobicContact CG2-CG1 4.49Å; I256-I260 WeakPolarHBondContact O-CG1 3.21Å; I256-I260 PolarHBondContact O-N 3.46Å; E257-I260 PolarHBondContact O-N 2.75Å; I260-G262 VanDerWaalsContact C-N 3.34Å
261	A	94.8	Very high	93.2	Very high	63 Å²	63	45.6 Å²	45.6	52%	0.521	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-10.8	179.7	0	0	0	0	0	113.9	E257 A258 R259 T263	E257-A261 WeakPolarHBondContact O-CB 3.49Å; E257-A261 PolarHBondContact O-N 3.4Å; A258-A261 PolarHBondContact O-N 3.48Å; R259-A261 PolarHBondContact O-N 2.98Å; A261-T263 HydrophobicContact CB-CG2 4.1Å; A261-T263 PolarHBondContact O-N 3.49Å
262	G	93.2	Very high	92.2	Very high	70 Å²	70	47.7 Å²	47.7	72%	0.722	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.5	20	-173.7	0	0	0	0	0	114.1	A258 R259 I260	A258-G262 PolarHBondContact O-N 3.3Å; A258-G262 VanDerWaalsContact O-N 3.07Å; R259-G262 PolarHBondContact O-N 3.32Å; I260-G262 VanDerWaalsContact C-N 3.34Å
263	T	95.7	Very high	90.9	Very high	46 Å²	46	49.3 Å²	49.3	28%	0.282	26%	0.256	S	S	.	.			trans	-105.4	2.2	-173.8	56.1	0	0	0	0	113.9	A258 A261 S265 W266 I267	A258-T263 PolarHBondContact O-N 2.93Å; A258-T263 PolarHBondContact O-OG1 2.89Å; A261-T263 HydrophobicContact CB-CG2 4.1Å; A261-T263 PolarHBondContact O-N 3.49Å; T263-S265 PolarHBondContact O-N 3.45Å; T263-W266 PolarHBondContact O-N 3.43Å; T263-W266 VanDerWaalsContact O-N 3.16Å; T263-I267 WeakPolarHBondContact O-CG1 3.44Å; T263-I267 PolarHBondContact O-N 3.03Å; T263-I267 WeakPolarHBondContact OG1-CD1 3.39Å
264	G	93.6	Very high	89.4	Confident	2 Å²	2	52.8 Å²	52.8	2%	0.021	28%	0.276	C	S	.	.	H	α-helix	trans	-48.3	-59	-175.1	0	0	0	0	0	114.5	A258 W266 I267 W268	A258-G264 PolarHBondContact O-N 3.37Å; G264-W266 VanDerWaalsContact C-N 3.34Å; G264-W266 PolarHBondContact O-N 3.26Å; G264-I267 PolarHBondContact O-N 2.88Å; G264-W268 VanDerWaalsContact O-CB 3.29Å; G264-W268 WeakPolarHBondContact O-CB 3.12Å; G264-W268 PolarHBondContact O-N 2.9Å
265	S	92.4	Very high	87.8	Confident	34 Å²	34	50.9 Å²	50.9	24%	0.238	28%	0.277	C	S	.	.	H	α-helix	trans	-57.7	-42	178.3	-73.1	0	0	0	0	113.8	T263 R269 D526	T263-S265 PolarHBondContact O-N 3.45Å; S265-R269 WeakPolarHBondContact O-CG 3.4Å; S265-R269 PolarHBondContact O-N 3.28Å; S265-D526 WeakPolarHBondContact CB-OD2 3.39Å; S265-D526 PolarHBondContact OG-OD2 3.37Å
266	W	92.1	Very high	86	Confident	159 Å²	159	53.2 Å²	53.2	60%	0.602	30%	0.296	S	S	*	.	H	α-helix	trans	-66.5	-48.1	-180	174	77.1	0	0	0	111.3	T263 G264 W268 R269 L270	T263-W266 PolarHBondContact O-N 3.43Å; T263-W266 VanDerWaalsContact O-N 3.16Å; G264-W266 VanDerWaalsContact C-N 3.34Å; G264-W266 PolarHBondContact O-N 3.26Å; W266-W268 VanDerWaalsContact C-N 3.33Å; W266-W268 PolarHBondContact O-N 3.02Å; W266-R269 PolarHBondContact O-N 3.34Å; W266-L270 HydrophobicContact CH2-CD2 4.11Å; W266-L270 HydrophobicContact CZ2-CD2 4.06Å; W266-L270 WeakPolarHBondContact O-CB 3.06Å; W266-L270 PolarHBondContact O-N 3.41Å
267	I	91.4	Very high	83.7	Confident	46 Å²	46	60.4 Å²	60.4	24%	0.236	33%	0.33	C	S	.	.	H	α-helix	trans	-62.9	-41.4	177	-65	174.8	0	0	0	110.7	A258 T263 G264 L270 R271 F517	A258-I267 HydrophobicContact CB-CD1 3.96Å; T263-I267 WeakPolarHBondContact O-CG1 3.44Å; T263-I267 PolarHBondContact O-N 3.03Å; T263-I267 WeakPolarHBondContact OG1-CD1 3.39Å; G264-I267 PolarHBondContact O-N 2.88Å; I267-L270 PolarHBondContact O-N 3.35Å; I267-R271 HydrophobicContact CG2-CG 4.22Å; I267-R271 WeakPolarHBondContact O-CB 3.48Å; I267-R271 VanDerWaalsContact O-CG 3.26Å; I267-R271 WeakPolarHBondContact O-CG 3.48Å; I267-R271 PolarHBondContact O-N 2.9Å; I267-F517 HydrophobicContact CB-CE1 4.12Å; I267-F517 HydrophobicContact CB-CZ 3.68Å; I267-F517 HydrophobicContact CD1-CZ 4.34Å; I267-F517 HydrophobicContact CG2-CE1 3.85Å; I267-F517 HydrophobicContact CG2-CE2 4.06Å; I267-F517 HydrophobicContact CG2-CZ 3.37Å
268	W	88.2	Confident	81.5	Confident	27 Å²	27	60.8 Å²	60.8	10%	0.102	33%	0.331	C	S	.	.	H	α-helix	trans	-58.2	-52.4	177.1	172.8	-112.5	0	0	0	111.5	G264 W266 L270 R271 M272 H514 F517 N518 V528	G264-W268 VanDerWaalsContact O-CB 3.29Å; G264-W268 WeakPolarHBondContact O-CB 3.12Å; G264-W268 PolarHBondContact O-N 2.9Å; W266-W268 VanDerWaalsContact C-N 3.33Å; W266-W268 PolarHBondContact O-N 3.02Å; W268-L270 PolarHBondContact O-N 2.86Å; W268-R271 PolarHBondContact O-N 3.05Å; W268-M272 HydrophobicContact CD2-CG 4.09Å; W268-M272 HydrophobicContact CE3-CE 4.29Å; W268-M272 HydrophobicContact CE3-CG 4.42Å; W268-M272 HydrophobicContact CH2-CE 3.78Å; W268-M272 HydrophobicContact CH2-CG 4.09Å; W268-M272 HydrophobicContact CH2-SD 3.62Å; W268-M272 HydrophobicContact CZ2-CE 4.35Å; W268-M272 HydrophobicContact CZ2-CG 3.69Å; W268-M272 HydrophobicContact CZ2-SD 3.68Å; W268-M272 HydrophobicContact CZ3-CE 3.74Å; W268-M272 HydrophobicContact CZ3-CG 4.43Å; W268-M272 HydrophobicContact CZ3-SD 4.17Å; W268-M272 WeakPolarHBondContact O-CG 3.31Å; W268-M272 PolarHBondContact O-N 2.93Å; W268-H514 HydrophobicContact CZ3-CB 4.06Å; W268-H514 VanDerWaalsContact CZ3-O 3.31Å; W268-H514 WeakPolarHBondContact CZ3-O 3.43Å; W268-F517 HydrophobicContact CB-CE1 4.15Å; W268-F517 HydrophobicContact CE3-CD1 4.25Å; W268-N518 HydrophobicContact CD2-CB 4.05Å; W268-N518 HydrophobicContact CE3-CB 3.74Å; W268-N518 HydrophobicContact CH2-CB 4.03Å; W268-N518 HydrophobicContact CZ2-CB 4.34Å; W268-N518 HydrophobicContact CZ3-CB 3.72Å; W268-N518 PolarHBondContact NE1-ND2 3.27Å; W268-V528 HydrophobicContact CZ2-CG2 3.6Å
269	R	86.3	Confident	79.1	Confident	122 Å²	122	62.5 Å²	62.5	46%	0.46	34%	0.342	S	S	.	.	H	α-helix	trans	-60.6	-43.4	178.6	-73.3	-167.5	-70.7	-109	5.3	112.1	S265 W266 M272 S273 D526	S265-R269 WeakPolarHBondContact O-CG 3.4Å; S265-R269 PolarHBondContact O-N 3.28Å; W266-R269 PolarHBondContact O-N 3.34Å; R269-M272 PolarHBondContact O-N 3.14Å; R269-S273 PolarHBondContact O-N 3.37Å; R269-D526 IonicContact CZ-OD1 3.1Å; R269-D526 IonicContact CZ-OD2 3.21Å; R269-D526 VanDerWaalsContact NH1-CG 3.28Å; R269-D526 IonicContact NH1-OD1 2.64Å; R269-D526 PolarHBondContact NH1-OD1 2.58Å; R269-D526 IonicContact NH1-OD2 2.8Å; R269-D526 PolarHBondContact NH1-OD2 3.48Å
270	L	85.1	Confident	76.9	Confident	82 Å²	82	62.1 Å²	62.1	43%	0.429	35%	0.349	S	S	.	.	H	α-helix	trans	-61.6	-43.3	176.6	-178.3	63.4	0	0	0	112	W266 I267 W268 M272 S273 V274	W266-L270 HydrophobicContact CH2-CD2 4.11Å; W266-L270 HydrophobicContact CZ2-CD2 4.06Å; W266-L270 WeakPolarHBondContact O-CB 3.06Å; W266-L270 PolarHBondContact O-N 3.41Å; I267-L270 PolarHBondContact O-N 3.35Å; W268-L270 PolarHBondContact O-N 2.86Å; L270-M272 VanDerWaalsContact C-N 3.33Å; L270-M272 PolarHBondContact O-N 3.46Å; L270-S273 PolarHBondContact O-N 3.48Å; L270-S273 PolarHBondContact O-OG 2.92Å; L270-V274 HydrophobicContact CD1-CG2 4.19Å; L270-V274 WeakPolarHBondContact O-CB 3.2Å; L270-V274 VanDerWaalsContact O-CG2 3.29Å; L270-V274 WeakPolarHBondContact O-CG2 3.34Å; L270-V274 PolarHBondContact O-N 3.29Å
271	R	79.3	Confident	75.6	Confident	37 Å²	37	63.8 Å²	63.8	14%	0.14	36%	0.362	C	S	.	.	H	α-helix	trans	-65.2	-37.9	177.9	-73.3	175.2	76.1	165.3	11.5	112.1	R254 I267 W268 S275 H514	R254-R271 VanDerWaalsContact NH2-CZ 3.34Å; R254-R271 VanDerWaalsContact NH2-NH2 3.2Å; I267-R271 HydrophobicContact CG2-CG 4.22Å; I267-R271 WeakPolarHBondContact O-CB 3.48Å; I267-R271 VanDerWaalsContact O-CG 3.26Å; I267-R271 WeakPolarHBondContact O-CG 3.48Å; I267-R271 PolarHBondContact O-N 2.9Å; W268-R271 PolarHBondContact O-N 3.05Å; R271-S275 WeakPolarHBondContact O-CB 3.14Å; R271-S275 PolarHBondContact O-N 2.8Å; R271-S275 PolarHBondContact O-OG 3.06Å; R271-H514 VanDerWaalsContact CZ-CD2 3.42Å; R271-H514 PolarHBondContact NE-NE2 2.98Å; R271-H514 PolarHBondContact NH2-CD2 2.7Å; R271-H514 PolarHBondContact NH2-NE2 3.27Å
272	M	74.6	Confident	74.6	Confident	46 Å²	46	62.6 Å²	62.6	23%	0.227	35%	0.352	C	S	.	.	H	α-helix	trans	-70	-38.5	177.8	-68.7	-59	97.1	0	0	112.3	W268 R269 L270 A276 H514	W268-M272 HydrophobicContact CD2-CG 4.09Å; W268-M272 HydrophobicContact CE3-CE 4.29Å; W268-M272 HydrophobicContact CE3-CG 4.42Å; W268-M272 HydrophobicContact CH2-CE 3.78Å; W268-M272 HydrophobicContact CH2-CG 4.09Å; W268-M272 HydrophobicContact CH2-SD 3.62Å; W268-M272 HydrophobicContact CZ2-CE 4.35Å; W268-M272 HydrophobicContact CZ2-CG 3.69Å; W268-M272 HydrophobicContact CZ2-SD 3.68Å; W268-M272 HydrophobicContact CZ3-CE 3.74Å; W268-M272 HydrophobicContact CZ3-CG 4.43Å; W268-M272 HydrophobicContact CZ3-SD 4.17Å; W268-M272 WeakPolarHBondContact O-CG 3.31Å; W268-M272 PolarHBondContact O-N 2.93Å; R269-M272 PolarHBondContact O-N 3.14Å; L270-M272 VanDerWaalsContact C-N 3.33Å; L270-M272 PolarHBondContact O-N 3.46Å; M272-A276 WeakPolarHBondContact O-CB 3.41Å; M272-A276 PolarHBondContact O-N 2.87Å; M272-A276 VanDerWaalsContact O-N 3.16Å; M272-H514 WeakPolarHBondContact CE-ND1 3.48Å
273	S	69.5	Low	74.1	Confident	34 Å²	34	60 Å²	60	24%	0.238	32%	0.322	C	S	.	.	H	α-helix	trans	-66.2	-47.8	175.8	68.2	0	0	0	0	111.5	R269 L270 A276 H277 H367	R269-S273 PolarHBondContact O-N 3.37Å; L270-S273 PolarHBondContact O-N 3.48Å; L270-S273 PolarHBondContact O-OG 2.92Å; S273-A276 PolarHBondContact O-N 2.83Å; S273-H277 PolarHBondContact O-N 2.9Å; S273-H277 PolarHBondContact O-ND1 3.21Å; S273-H367 WeakPolarHBondContact CB-NE2 3.45Å
274	V	67.9	Low	73.5	Confident	77 Å²	77	60.3 Å²	60.3	47%	0.467	32%	0.322	S	S	.	.	H	α-helix	trans	-65.5	-44.5	179.8	175.4	0	0	0	0	111.4	L270 A276 H277 H278	L270-V274 HydrophobicContact CD1-CG2 4.19Å; L270-V274 WeakPolarHBondContact O-CB 3.2Å; L270-V274 VanDerWaalsContact O-CG2 3.29Å; L270-V274 WeakPolarHBondContact O-CG2 3.34Å; L270-V274 PolarHBondContact O-N 3.29Å; V274-A276 VanDerWaalsContact C-N 3.26Å; V274-A276 PolarHBondContact O-N 2.78Å; V274-H277 PolarHBondContact O-N 2.83Å; V274-H278 WeakPolarHBondContact O-CB 3.42Å; V274-H278 PolarHBondContact O-N 3.11Å; V274-H278 VanDerWaalsContact O-N 3.11Å
275	S	61.4	Low	72.9	Confident	52 Å²	52	62.7 Å²	62.7	36%	0.364	33%	0.332	S	S	.	.	H	α-helix	trans	-63.8	-32.4	179.8	-58.6	0	0	0	0	112.5	R271 H277	R271-S275 WeakPolarHBondContact O-CB 3.14Å; R271-S275 PolarHBondContact O-N 2.8Å; R271-S275 PolarHBondContact O-OG 3.06Å; S275-H277 PolarHBondContact O-N 3.48Å
276	A	58.3	Low	72.6	Confident	50 Å²	50	61.4 Å²	61.4	41%	0.413	32%	0.322	S	S	.	.	H	α-helix	trans	-69.4	-21	175.6	0	0	0	0	0	113.2	M272 S273 V274 H367	M272-A276 WeakPolarHBondContact O-CB 3.41Å; M272-A276 PolarHBondContact O-N 2.87Å; M272-A276 VanDerWaalsContact O-N 3.16Å; S273-A276 PolarHBondContact O-N 2.83Å; V274-A276 VanDerWaalsContact C-N 3.26Å; V274-A276 PolarHBondContact O-N 2.78Å; A276-H367 HydrophobicContact CB-CB 4.01Å
277	H	50.4	Low	72.5	Confident	150 Å²	150	57.3 Å²	57.3	69%	0.694	31%	0.309	S	S	*	.	H	α-helix	trans	-113.8	-0.8	-171.5	-65.9	60.7	0	0	0	114.1	S273 V274 S275 P279	S273-H277 PolarHBondContact O-N 2.9Å; S273-H277 PolarHBondContact O-ND1 3.21Å; V274-H277 PolarHBondContact O-N 2.83Å; S275-H277 PolarHBondContact O-N 3.48Å; H277-P279 WeakPolarHBondContact O-CD 3.41Å
278	H	49.7	Very low	72.3	Confident	98 Å²	98	55.1 Å²	55.1	45%	0.454	30%	0.298	S	S	.	.			trans	-105.4	103.6	-175.2	-158.5	-69.7	0	0	0	112.5	V274 S280 S281	V274-H278 WeakPolarHBondContact O-CB 3.42Å; V274-H278 PolarHBondContact O-N 3.11Å; V274-H278 VanDerWaalsContact O-N 3.11Å; H278-S280 VanDerWaalsContact CE1-CB 3.41Å; H278-S280 WeakPolarHBondContact CE1-CB 3.41Å; H278-S280 PolarHBondContact CE1-OG 3.16Å; H278-S280 PolarHBondContact ND1-N 2.66Å; H278-S280 PolarHBondContact ND1-OG 2.89Å; H278-S280 PolarHBondContact O-N 2.83Å; H278-S281 PolarHBondContact O-N 3.4Å; H278-S281 PolarHBondContact O-OG 3.03Å
279	P	46.6	Very low	72.3	Confident	41 Å²	41	55 Å²	55	27%	0.266	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-63.3	-35.9	-175.5	-20.2	31.8	0	0	0	113.7	E151 H277 S281 A282	E151-P279 HydrophobicContact CB-CB 4.33Å; H277-P279 WeakPolarHBondContact O-CD 3.41Å; P279-S281 PolarHBondContact O-N 3.43Å; P279-A282 WeakPolarHBondContact O-CB 3.25Å; P279-A282 PolarHBondContact O-N 2.82Å
280	S	50	Low	72.5	Confident	53 Å²	53	51.3 Å²	51.3	37%	0.371	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-62.6	-8.2	-178.6	-31.5	0	0	0	0	113.9	E150 H278	E150-S280 WeakPolarHBondContact OE2-CA 3.4Å; E150-S280 WeakPolarHBondContact OE2-CB 3.47Å; E150-S280 PolarHBondContact OE2-OG 3.24Å; H278-S280 VanDerWaalsContact CE1-CB 3.41Å; H278-S280 WeakPolarHBondContact CE1-CB 3.41Å; H278-S280 PolarHBondContact CE1-OG 3.16Å; H278-S280 PolarHBondContact ND1-N 2.66Å; H278-S280 PolarHBondContact ND1-OG 2.89Å; H278-S280 PolarHBondContact O-N 2.83Å
281	S	66.8	Low	72.9	Confident	50 Å²	50	48.7 Å²	48.7	35%	0.35	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-90.3	-21.1	173.7	77.2	0	0	0	0	113.5	H278 P279 D284 F285	H278-S281 PolarHBondContact O-N 3.4Å; H278-S281 PolarHBondContact O-OG 3.03Å; P279-S281 PolarHBondContact O-N 3.43Å; S281-D284 PolarHBondContact O-N 2.87Å; S281-F285 WeakPolarHBondContact O-CB 3.47Å; S281-F285 PolarHBondContact O-N 2.9Å
282	A	74.1	Confident	73.5	Confident	38 Å²	38	48.6 Å²	48.6	31%	0.314	28%	0.276	S	S	.	.	H	α-helix	trans	-67	-46.8	-171.5	0	0	0	0	0	112	P279 D284 F285 L286	P279-A282 WeakPolarHBondContact O-CB 3.25Å; P279-A282 PolarHBondContact O-N 2.82Å; A282-D284 PolarHBondContact O-N 3.39Å; A282-F285 WeakPolarHBondContact O-CB 3.25Å; A282-F285 PolarHBondContact O-N 2.81Å; A282-L286 WeakPolarHBondContact O-CB 3.5Å; A282-L286 VanDerWaalsContact O-CG 3.22Å; A282-L286 WeakPolarHBondContact O-CG 3.23Å; A282-L286 PolarHBondContact O-N 2.96Å
283	V	82.9	Confident	74.3	Confident	15 Å²	15	47.5 Å²	47.5	9%	0.091	27%	0.272	C	S	.	.	H	α-helix	trans	-61.8	-44.9	177.7	171.9	0	0	0	0	111	R153 M157 L286 K287	R153-V283 HydrophobicContact CG-CG2 4.2Å; M157-V283 HydrophobicContact SD-CG1 4Å; V283-L286 PolarHBondContact O-N 3.24Å; V283-K287 HydrophobicContact CG1-CD 4.37Å; V283-K287 WeakPolarHBondContact O-CG 3.48Å; V283-K287 PolarHBondContact O-N 3.28Å
284	D	83.2	Confident	75.3	Confident	53 Å²	53	55.1 Å²	55.1	28%	0.283	30%	0.295	S	S	.	.	H	α-helix	trans	-70.4	-34.7	-179.8	-80	-8.9	0	0	0	112.1	S281 A282 K287 A288 V506	S281-D284 PolarHBondContact O-N 2.87Å; A282-D284 PolarHBondContact O-N 3.39Å; D284-K287 PolarHBondContact O-N 3.48Å; D284-K287 IonicContact OD1-NZ 3.22Å; D284-K287 PolarHBondContact OD1-NZ 3.1Å; D284-A288 WeakPolarHBondContact O-CB 3.32Å; D284-A288 PolarHBondContact O-N 3.5Å; D284-V506 HydrophobicContact CB-CG1 4.48Å; D284-V506 HydrophobicContact CB-CG2 4.34Å
285	F	80.5	Confident	76.5	Confident	53 Å²	53	51.8 Å²	51.8	23%	0.232	28%	0.276	C	S	.	.	H	α-helix	trans	-61.2	-46.7	169.9	-178.4	-82	0	0	0	111.3	S281 A282 K287 A288 Y289 Y330 L511	S281-F285 WeakPolarHBondContact O-CB 3.47Å; S281-F285 PolarHBondContact O-N 2.9Å; A282-F285 WeakPolarHBondContact O-CB 3.25Å; A282-F285 PolarHBondContact O-N 2.81Å; F285-K287 PolarHBondContact O-N 3.12Å; F285-A288 WeakPolarHBondContact O-CB 3.34Å; F285-A288 PolarHBondContact O-N 2.72Å; F285-Y289 WeakPolarHBondContact O-CB 3.4Å; F285-Y289 PolarHBondContact O-N 3.36Å; F285-Y330 HydrophobicContact CE1-CE1 4.09Å; F285-Y330 AromaticContact CE1-CE2 3.86Å; F285-Y330 HydrophobicContact CE1-CE2 3.86Å; F285-Y330 AromaticContact CE1-CZ 3.43Å; F285-Y330 VanDerWaalsContact CE1-CZ 3.43Å; F285-Y330 WeakPolarHBondContact CE1-OH 3.39Å; F285-Y330 HydrophobicContact CZ-CE2 4.02Å; F285-Y330 AromaticContact CZ-CZ 3.61Å; F285-Y330 WeakPolarHBondContact CZ-OH 3.35Å; F285-L511 HydrophobicContact CD2-CD1 3.49Å; F285-L511 VanDerWaalsContact CD2-CD1 3.49Å; F285-L511 HydrophobicContact CD2-CD2 4.12Å; F285-L511 HydrophobicContact CD2-CG 3.84Å; F285-L511 HydrophobicContact CE2-CD1 3.71Å; F285-L511 HydrophobicContact CE2-CD2 3.63Å; F285-L511 HydrophobicContact CE2-CG 3.47Å; F285-L511 VanDerWaalsContact CE2-CG 3.47Å; F285-L511 HydrophobicContact CG-CD1 4.39Å; F285-L511 HydrophobicContact CZ-CD2 3.91Å; F285-L511 HydrophobicContact CZ-CG 4.24Å
286	L	86.9	Confident	78.1	Confident	6 Å²	6	49.3 Å²	49.3	3%	0.031	26%	0.259	C	S	.	.	H	α-helix	trans	-64.2	-39.8	178.7	-74.4	174.3	0	0	0	112	G154 M157 F158 M161 A282 V283 Y289 S290 F332	G154-L286 WeakPolarHBondContact O-CD1 3.39Å; M157-L286 HydrophobicContact CB-CD1 4.15Å; M157-L286 HydrophobicContact CE-CB 4.07Å; M157-L286 HydrophobicContact CG-CB 4.42Å; M157-L286 HydrophobicContact CG-CD1 4.1Å; M157-L286 HydrophobicContact SD-CB 4Å; M157-L286 HydrophobicContact SD-CD1 4.42Å; F158-L286 HydrophobicContact CB-CD1 3.97Å; F158-L286 HydrophobicContact CD2-CD1 4.38Å; F158-L286 HydrophobicContact CD2-CD2 3.89Å; M161-L286 HydrophobicContact CE-CB 4.45Å; M161-L286 HydrophobicContact CE-CD2 4.05Å; M161-L286 HydrophobicContact SD-CB 3.69Å; M161-L286 HydrophobicContact SD-CD2 3.82Å; M161-L286 HydrophobicContact SD-CG 4.2Å; A282-L286 WeakPolarHBondContact O-CB 3.5Å; A282-L286 VanDerWaalsContact O-CG 3.22Å; A282-L286 WeakPolarHBondContact O-CG 3.23Å; A282-L286 PolarHBondContact O-N 2.96Å; V283-L286 PolarHBondContact O-N 3.24Å; L286-Y289 PolarHBondContact O-N 3.46Å; L286-S290 WeakPolarHBondContact O-CB 3.48Å; L286-S290 PolarHBondContact O-N 3.13Å; L286-F332 HydrophobicContact CD2-CE2 4.46Å; L286-F332 HydrophobicContact CD2-CZ 4.02Å
287	K	89.4	Confident	79.9	Confident	74 Å²	74	47 Å²	47	32%	0.322	24%	0.239	S	C	.	.	H	α-helix	trans	-63.1	-43.3	171	-69.7	172.7	-170.1	157.8	0	112	M157 V283 D284 F285 Y289 S290 L291 S503	M157-K287 HydrophobicContact CE-CG 3.74Å; M157-K287 HydrophobicContact SD-CG 4.4Å; V283-K287 HydrophobicContact CG1-CD 4.37Å; V283-K287 WeakPolarHBondContact O-CG 3.48Å; V283-K287 PolarHBondContact O-N 3.28Å; D284-K287 PolarHBondContact O-N 3.48Å; D284-K287 IonicContact OD1-NZ 3.22Å; D284-K287 PolarHBondContact OD1-NZ 3.1Å; F285-K287 PolarHBondContact O-N 3.12Å; K287-Y289 VanDerWaalsContact C-N 3.35Å; K287-S290 PolarHBondContact O-N 3.02Å; K287-L291 WeakPolarHBondContact O-CB 3.34Å; K287-L291 PolarHBondContact O-N 2.77Å; K287-S503 WeakPolarHBondContact CB-OG 3.32Å
288	A	87.8	Confident	82	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63.8	-40.9	177.1	0	0	0	0	0	111.7	D284 F285 L291 Y292 V506 L507 L511	D284-A288 WeakPolarHBondContact O-CB 3.32Å; D284-A288 PolarHBondContact O-N 3.5Å; F285-A288 WeakPolarHBondContact O-CB 3.34Å; F285-A288 PolarHBondContact O-N 2.72Å; A288-L291 PolarHBondContact O-N 3.3Å; A288-Y292 WeakPolarHBondContact O-CB 3.4Å; A288-Y292 PolarHBondContact O-N 3.47Å; A288-V506 HydrophobicContact CB-CB 4.12Å; A288-V506 HydrophobicContact CB-CG1 3.87Å; A288-L507 HydrophobicContact CB-CB 4.13Å; A288-L511 HydrophobicContact CB-CD1 4.09Å; A288-L511 HydrophobicContact CB-CD2 4.28Å
289	Y	87.8	Confident	84.1	Confident	25 Å²	25	36.2 Å²	36.2	10%	0.098	19%	0.19	C	C	.	.	H	α-helix	trans	-62.5	-47	174	-178.5	-86.7	0	0	0	111.6	M161 F285 L286 K287 L291 Y292 T293 L299 Y330 F332	M161-Y289 HydrophobicContact CE-CD1 3.63Å; M161-Y289 HydrophobicContact CE-CE1 4.32Å; F285-Y289 WeakPolarHBondContact O-CB 3.4Å; F285-Y289 PolarHBondContact O-N 3.36Å; L286-Y289 PolarHBondContact O-N 3.46Å; K287-Y289 VanDerWaalsContact C-N 3.35Å; Y289-L291 VanDerWaalsContact C-N 3.32Å; Y289-L291 PolarHBondContact O-N 3.35Å; Y289-Y292 WeakPolarHBondContact O-CB 3.21Å; Y289-Y292 PolarHBondContact O-N 2.67Å; Y289-Y292 VanDerWaalsContact O-N 3.15Å; Y289-T293 HydrophobicContact CD1-CG2 4.19Å; Y289-T293 HydrophobicContact CE1-CG2 3.72Å; Y289-T293 PolarHBondContact O-N 2.91Å; Y289-T293 PolarHBondContact O-OG1 2.94Å; Y289-L299 HydrophobicContact CD2-CD1 4.42Å; Y289-L299 HydrophobicContact CE2-CD1 3.61Å; Y289-Y330 HydrophobicContact CE2-CD2 4.33Å; Y289-Y330 HydrophobicContact CE2-CE2 4.49Å; Y289-F332 HydrophobicContact CD1-CD2 4.36Å; Y289-F332 HydrophobicContact CD1-CE2 4.08Å; Y289-F332 AromaticContact CE1-CD2 3.6Å; Y289-F332 HydrophobicContact CE1-CD2 3.6Å; Y289-F332 AromaticContact CE1-CE2 3.78Å; Y289-F332 HydrophobicContact CE1-CE2 3.78Å; Y289-F332 AromaticContact CZ-CD2 3.76Å
290	S	91.1	Very high	86.5	Confident	43 Å²	43	34.8 Å²	34.8	30%	0.301	18%	0.18	S	C	.	.	H	α-helix	trans	-62.3	-38.8	176.2	-180	0	0	0	0	112.3	L286 K287 Y292 T293 R294	L286-S290 WeakPolarHBondContact O-CB 3.48Å; L286-S290 PolarHBondContact O-N 3.13Å; K287-S290 PolarHBondContact O-N 3.02Å; S290-Y292 VanDerWaalsContact C-N 3.34Å; S290-T293 PolarHBondContact O-OG1 3.35Å; S290-T293 VanDerWaalsContact O-OG1 3.04Å; S290-R294 WeakPolarHBondContact O-CB 3.42Å; S290-R294 WeakPolarHBondContact O-CD 3.18Å; S290-R294 VanDerWaalsContact O-CG 3.25Å; S290-R294 WeakPolarHBondContact O-CG 3.38Å; S290-R294 PolarHBondContact O-N 3Å
291	L	92.2	Very high	88.7	Confident	27 Å²	27	32.3 Å²	32.3	14%	0.141	16%	0.163	C	C	.	.	H	α-helix	trans	-62.8	-43.4	173.1	-179.4	61.9	0	0	0	111.2	K287 A288 Y289 R294 A295 V497 S501 R504	K287-L291 WeakPolarHBondContact O-CB 3.34Å; K287-L291 PolarHBondContact O-N 2.77Å; A288-L291 PolarHBondContact O-N 3.3Å; Y289-L291 VanDerWaalsContact C-N 3.32Å; Y289-L291 PolarHBondContact O-N 3.35Å; L291-R294 PolarHBondContact O-N 3.11Å; L291-A295 VanDerWaalsContact O-CB 3.29Å; L291-A295 WeakPolarHBondContact O-CB 2.98Å; L291-A295 PolarHBondContact O-N 3.03Å; L291-V497 HydrophobicContact CD1-CG1 4.09Å; L291-V497 HydrophobicContact CD2-CG1 3.78Å; L291-V497 HydrophobicContact CG-CG1 4.19Å; L291-V497 HydrophobicContact CG-CG2 4.48Å; L291-S501 WeakPolarHBondContact CD2-OG 3.41Å; L291-R504 HydrophobicContact CD2-CB 4.33Å
292	Y	91.9	Very high	90.1	Very high	35 Å²	35	30.1 Å²	30.1	14%	0.137	15%	0.147	C	C	.	.	H	α-helix	trans	-62.9	-45.3	179.1	-175.1	-108.9	0	0	0	112.2	A288 Y289 S290 R294 A295 C296 L299 M492 L493 L507	A288-Y292 WeakPolarHBondContact O-CB 3.4Å; A288-Y292 PolarHBondContact O-N 3.47Å; Y289-Y292 WeakPolarHBondContact O-CB 3.21Å; Y289-Y292 PolarHBondContact O-N 2.67Å; Y289-Y292 VanDerWaalsContact O-N 3.15Å; S290-Y292 VanDerWaalsContact C-N 3.34Å; Y292-R294 VanDerWaalsContact C-N 3.27Å; Y292-R294 PolarHBondContact O-N 3.44Å; Y292-A295 PolarHBondContact O-N 2.75Å; Y292-C296 HydrophobicContact CD2-CB 3.97Å; Y292-C296 HydrophobicContact CE1-CB 4.41Å; Y292-C296 HydrophobicContact CE2-CB 3.67Å; Y292-C296 HydrophobicContact CG-CB 4.47Å; Y292-C296 WeakPolarHBondContact O-CA 3.49Å; Y292-C296 VanDerWaalsContact O-CB 3.32Å; Y292-C296 WeakPolarHBondContact O-CB 3.22Å; Y292-C296 PolarHBondContact O-N 3.04Å; Y292-L299 HydrophobicContact CD1-CD1 3.71Å; Y292-L299 HydrophobicContact CD1-CG 4.22Å; Y292-L299 HydrophobicContact CE1-CD1 3.88Å; Y292-L299 HydrophobicContact CE1-CG 3.93Å; Y292-M492 HydrophobicContact CE2-CE 4.37Å; Y292-L493 HydrophobicContact CD2-CD2 4.47Å; Y292-L507 HydrophobicContact CD2-CD1 3.93Å; Y292-L507 HydrophobicContact CD2-CD2 4.08Å; Y292-L507 HydrophobicContact CG-CD1 4.13Å
293	T	91.2	Very high	91.2	Very high	23 Å²	23	28.3 Å²	28.3	14%	0.141	13%	0.132	C	C	.	.	H	α-helix	trans	-66.1	-29.3	178.4	55.6	0	0	0	0	113.2	Y289 S290 L299 Y567	Y289-T293 HydrophobicContact CD1-CG2 4.19Å; Y289-T293 HydrophobicContact CE1-CG2 3.72Å; Y289-T293 PolarHBondContact O-N 2.91Å; Y289-T293 PolarHBondContact O-OG1 2.94Å; S290-T293 PolarHBondContact O-OG1 3.35Å; S290-T293 VanDerWaalsContact O-OG1 3.04Å; T293-L299 HydrophobicContact CG2-CB 4.22Å; T293-L299 HydrophobicContact CG2-CD1 3.81Å; T293-Y567 PolarHBondContact O-OH 3.05Å
294	R	91.8	Very high	92	Very high	194 Å²	194	27.6 Å²	27.6	73%	0.732	13%	0.128	S	C	*	.	H	α-helix	trans	-77	-34.6	175.1	-71.9	171.6	58.6	139.1	2.3	113.2	S290 L291 Y292	S290-R294 WeakPolarHBondContact O-CB 3.42Å; S290-R294 WeakPolarHBondContact O-CD 3.18Å; S290-R294 VanDerWaalsContact O-CG 3.25Å; S290-R294 WeakPolarHBondContact O-CG 3.38Å; S290-R294 PolarHBondContact O-N 3Å; L291-R294 PolarHBondContact O-N 3.11Å; Y292-R294 VanDerWaalsContact C-N 3.27Å; Y292-R294 PolarHBondContact O-N 3.44Å
295	A	93.4	Very high	92.7	Very high	8 Å²	8	25.2 Å²	25.2	7%	0.066	12%	0.115	C	C	.	.	H	α-helix	trans	-90.3	-33.1	-176.3	0	0	0	0	0	113	L291 Y292 T496 V497 F571	L291-A295 VanDerWaalsContact O-CB 3.29Å; L291-A295 WeakPolarHBondContact O-CB 2.98Å; L291-A295 PolarHBondContact O-N 3.03Å; Y292-A295 PolarHBondContact O-N 2.75Å; A295-T496 WeakPolarHBondContact O-CB 2.88Å; A295-V497 HydrophobicContact CB-CG2 3.48Å; A295-V497 VanDerWaalsContact CB-CG2 3.48Å; A295-F571 WeakPolarHBondContact O-CE2 3.47Å; A295-F571 VanDerWaalsContact O-CZ 3.28Å; A295-F571 WeakPolarHBondContact O-CZ 3.44Å
296	C	95.2	Very high	93.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	10%	0.104	C	C	.	.			trans	-121.2	123.7	-175.4	-179.9	0	0	0	0	110.5	Y292 F298 M492 F571	Y292-C296 HydrophobicContact CD2-CB 3.97Å; Y292-C296 HydrophobicContact CE1-CB 4.41Å; Y292-C296 HydrophobicContact CE2-CB 3.67Å; Y292-C296 HydrophobicContact CG-CB 4.47Å; Y292-C296 WeakPolarHBondContact O-CA 3.49Å; Y292-C296 VanDerWaalsContact O-CB 3.32Å; Y292-C296 WeakPolarHBondContact O-CB 3.22Å; Y292-C296 PolarHBondContact O-N 3.04Å; C296-F298 PolarHBondContact O-N 2.9Å; C296-F298 VanDerWaalsContact SG-CD2 3.55Å; C296-F298 WeakPolarHBondContact SG-CG 3.43Å; C296-M492 HydrophobicContact CB-CE 3.88Å; C296-M492 HydrophobicContact CB-SD 4.21Å; C296-F571 HydrophobicContact CB-CZ 4.43Å
297	C	95.2	Very high	94.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-9.4	-178	61.3	0	0	0	0	113.7	L299 N300 V301 V563 Y567 F571	C297-L299 VanDerWaalsContact C-N 3.35Å; C297-L299 PolarHBondContact O-N 2.96Å; C297-N300 CarbonylContact O-C 3.55Å; C297-N300 WeakPolarHBondContact O-CA 3.41Å; C297-N300 PolarHBondContact O-N 2.84Å; C297-V301 HydrophobicContact CB-CG2 4.11Å; C297-V301 WeakPolarHBondContact O-CG2 3.37Å; C297-V301 PolarHBondContact O-N 3.38Å; C297-V563 HydrophobicContact CB-CG2 4Å; C297-Y567 HydrophobicContact CB-CD1 3.75Å; C297-Y567 HydrophobicContact CB-CD2 3.68Å; C297-Y567 HydrophobicContact CB-CE1 3.78Å; C297-Y567 HydrophobicContact CB-CE2 3.68Å; C297-Y567 HydrophobicContact CB-CG 3.7Å; C297-F571 WeakPolarHBondContact SG-CD1 3.4Å
298	F	95.4	Very high	94.4	Very high	6 Å²	6	20 Å²	20	3%	0.026	9%	0.093	C	C	.	.	H	α-helix	trans	-58.1	-42.8	-164.8	-65	-2.5	0	0	0	114.4	C296 T302 M492 F571 Q582 L589 T590	C296-F298 PolarHBondContact O-N 2.9Å; C296-F298 VanDerWaalsContact SG-CD2 3.55Å; C296-F298 WeakPolarHBondContact SG-CG 3.43Å; F298-T302 WeakPolarHBondContact O-CB 3.41Å; F298-T302 PolarHBondContact O-N 3.35Å; F298-T302 PolarHBondContact O-OG1 2.87Å; F298-M492 HydrophobicContact CE2-SD 4.49Å; F298-M492 HydrophobicContact CZ-SD 4.27Å; F298-F571 HydrophobicContact CD1-CE1 4.43Å; F298-F571 AromaticContact CE1-CD1 3.95Å; F298-F571 HydrophobicContact CE1-CD1 3.95Å; F298-F571 AromaticContact CE1-CE1 3.9Å; F298-F571 HydrophobicContact CE1-CE1 3.9Å; F298-F571 HydrophobicContact CZ-CE1 4.42Å; F298-Q582 VanDerWaalsContact CA-OE1 3.26Å; F298-Q582 VanDerWaalsContact CD1-CD 3.48Å; F298-Q582 HydrophobicContact CD1-CG 3.97Å; F298-Q582 HydrophobicContact CE1-CB 4.48Å; F298-Q582 HydrophobicContact CE1-CG 4.19Å; F298-Q582 PolarHBondContact O-NE2 3.44Å; F298-L589 HydrophobicContact CE2-CB 3.92Å; F298-L589 HydrophobicContact CE2-CD1 3.87Å; F298-L589 HydrophobicContact CZ-CB 4.06Å; F298-L589 HydrophobicContact CZ-CD1 3.83Å; F298-L589 HydrophobicContact CZ-CG 4.47Å; F298-T590 HydrophobicContact CD2-CG2 4.29Å
299	L	93.5	Very high	94.9	Very high	17 Å²	17	20.5 Å²	20.5	9%	0.089	10%	0.096	C	C	.	.	H	α-helix	trans	-72.3	-32.2	177.1	-64.3	-179.1	0	0	0	112.8	Y166 Y289 Y292 T293 C297 F303	Y166-L299 WeakPolarHBondContact CE1-O 3.34Å; Y289-L299 HydrophobicContact CD2-CD1 4.42Å; Y289-L299 HydrophobicContact CE2-CD1 3.61Å; Y292-L299 HydrophobicContact CD1-CD1 3.71Å; Y292-L299 HydrophobicContact CD1-CG 4.22Å; Y292-L299 HydrophobicContact CE1-CD1 3.88Å; Y292-L299 HydrophobicContact CE1-CG 3.93Å; T293-L299 HydrophobicContact CG2-CB 4.22Å; T293-L299 HydrophobicContact CG2-CD1 3.81Å; C297-L299 VanDerWaalsContact C-N 3.35Å; C297-L299 PolarHBondContact O-N 2.96Å; L299-F303 WeakPolarHBondContact O-CB 3.34Å; L299-F303 PolarHBondContact O-N 3.22Å
300	N	95.7	Very high	95.4	Very high	11 Å²	11	19.4 Å²	19.4	6%	0.059	9%	0.092	C	C	.	.	H	α-helix	trans	-73.4	-41.1	178.3	-77.9	12.8	0	0	0	111.2	Y166 C169 C297 F303 I304 Y567	Y166-N300 WeakPolarHBondContact CD1-OD1 3.46Å; Y166-N300 VanDerWaalsContact CE1-OD1 3.23Å; Y166-N300 WeakPolarHBondContact CE1-OD1 3.36Å; C169-N300 VanDerWaalsContact SG-CB 3.54Å; C169-N300 PolarHBondContact SG-ND2 3.28Å; C169-N300 VanDerWaalsContact SG-ND2 3.4Å; C297-N300 CarbonylContact O-C 3.55Å; C297-N300 WeakPolarHBondContact O-CA 3.41Å; C297-N300 PolarHBondContact O-N 2.84Å; N300-F303 WeakPolarHBondContact O-CB 3.31Å; N300-F303 PolarHBondContact O-N 2.78Å; N300-I304 WeakPolarHBondContact O-CG1 3.48Å; N300-I304 PolarHBondContact O-N 2.94Å; N300-Y567 PolarHBondContact ND2-OH 3.33Å
301	V	96.8	Very high	95.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-63.4	-44.6	172.8	173.2	0	0	0	0	111	C297 F303 I304 F305 V559 V563 L580 Q582	C297-V301 HydrophobicContact CB-CG2 4.11Å; C297-V301 WeakPolarHBondContact O-CG2 3.37Å; C297-V301 PolarHBondContact O-N 3.38Å; V301-F303 VanDerWaalsContact C-N 3.26Å; V301-F303 PolarHBondContact O-N 3.19Å; V301-I304 PolarHBondContact O-N 2.8Å; V301-F305 WeakPolarHBondContact O-CB 3.26Å; V301-F305 PolarHBondContact O-N 3.19Å; V301-V559 HydrophobicContact CB-CG1 4.36Å; V301-V559 HydrophobicContact CG1-CG1 3.66Å; V301-V559 HydrophobicContact CG1-CG2 4.12Å; V301-V559 HydrophobicContact CG2-CG1 3.9Å; V301-V563 HydrophobicContact CG2-CG2 3.7Å; V301-L580 HydrophobicContact CG1-CD2 4.21Å; V301-Q582 VanDerWaalsContact CB-OE1 3.29Å
302	T	97.3	Very high	95.6	Very high	4 Å²	4	20.1 Å²	20.1	3%	0.025	9%	0.093	C	C	.	.	H	α-helix	trans	-56.4	-43.8	174.5	-55.1	0	0	0	0	110.9	F298 S306 L428 F429 H592	F298-T302 WeakPolarHBondContact O-CB 3.41Å; F298-T302 PolarHBondContact O-N 3.35Å; F298-T302 PolarHBondContact O-OG1 2.87Å; T302-S306 WeakPolarHBondContact O-CB 3.42Å; T302-S306 PolarHBondContact O-N 3.15Å; T302-S306 PolarHBondContact O-OG 3.22Å; T302-L428 HydrophobicContact CG2-CD2 3.97Å; T302-F429 HydrophobicContact CG2-CE2 3.98Å; T302-H592 PolarHBondContact OG1-CE1 2.78Å
303	F	97.1	Very high	95.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-64.6	-49.5	177.1	170.6	-100.3	0	0	0	112.4	Y166 C169 I170 M173 L299 N300 V301 F305 S306 A307 Q333	Y166-F303 VanDerWaalsContact CB-CD1 3.41Å; Y166-F303 HydrophobicContact CD1-CB 3.52Å; Y166-F303 AromaticContact CD1-CD1 3.57Å; Y166-F303 HydrophobicContact CD1-CD1 3.57Å; Y166-F303 HydrophobicContact CD1-CD2 4.19Å; Y166-F303 HydrophobicContact CD1-CE1 4.34Å; Y166-F303 AromaticContact CD1-CG 3.47Å; Y166-F303 HydrophobicContact CD1-CG 3.47Å; Y166-F303 VanDerWaalsContact CD1-CG 3.47Å; Y166-F303 HydrophobicContact CD2-CB 4.27Å; Y166-F303 HydrophobicContact CD2-CD1 4.15Å; Y166-F303 AromaticContact CD2-CD2 3.53Å; Y166-F303 HydrophobicContact CD2-CD2 3.53Å; Y166-F303 HydrophobicContact CD2-CE1 4.41Å; Y166-F303 AromaticContact CD2-CE2 3.85Å; Y166-F303 HydrophobicContact CD2-CE2 3.85Å; Y166-F303 AromaticContact CD2-CG 3.69Å; Y166-F303 HydrophobicContact CD2-CG 3.69Å; Y166-F303 HydrophobicContact CD2-CZ 4.28Å; Y166-F303 HydrophobicContact CE1-CB 3.37Å; Y166-F303 HydrophobicContact CE1-CD1 4.33Å; Y166-F303 HydrophobicContact CE1-CD2 4.44Å; Y166-F303 AromaticContact CE1-CG 3.8Å; Y166-F303 HydrophobicContact CE1-CG 3.8Å; Y166-F303 HydrophobicContact CE2-CB 4.15Å; Y166-F303 AromaticContact CE2-CD2 3.84Å; Y166-F303 HydrophobicContact CE2-CD2 3.84Å; Y166-F303 HydrophobicContact CE2-CG 4.03Å; Y166-F303 HydrophobicContact CG-CB 3.96Å; Y166-F303 AromaticContact CG-CD1 3.44Å; Y166-F303 HydrophobicContact CG-CD1 3.44Å; Y166-F303 VanDerWaalsContact CG-CD1 3.44Å; Y166-F303 AromaticContact CG-CD2 3.72Å; Y166-F303 HydrophobicContact CG-CD2 3.72Å; Y166-F303 AromaticContact CG-CE1 3.79Å; Y166-F303 HydrophobicContact CG-CE1 3.79Å; Y166-F303 HydrophobicContact CG-CE2 4.07Å; Y166-F303 AromaticContact CG-CG 3.39Å; Y166-F303 HydrophobicContact CG-CG 3.39Å; Y166-F303 HydrophobicContact CG-CZ 4.1Å; C169-F303 HydrophobicContact CB-CD1 3.74Å; C169-F303 HydrophobicContact CB-CE1 3.88Å; I170-F303 HydrophobicContact CD1-CZ 4.39Å; I170-F303 HydrophobicContact CG1-CE1 3.99Å; I170-F303 HydrophobicContact CG1-CZ 3.99Å; M173-F303 HydrophobicContact CE-CD1 4.24Å; M173-F303 HydrophobicContact CE-CE1 3.44Å; M173-F303 VanDerWaalsContact CE-CE1 3.44Å; M173-F303 HydrophobicContact CE-CZ 4.06Å; L299-F303 WeakPolarHBondContact O-CB 3.34Å; L299-F303 PolarHBondContact O-N 3.22Å; N300-F303 WeakPolarHBondContact O-CB 3.31Å; N300-F303 PolarHBondContact O-N 2.78Å; V301-F303 VanDerWaalsContact C-N 3.26Å; V301-F303 PolarHBondContact O-N 3.19Å; F303-F305 PolarHBondContact O-N 2.84Å; F303-S306 PolarHBondContact O-N 2.93Å; F303-S306 PolarHBondContact O-OG 2.88Å; F303-A307 HydrophobicContact CD2-CB 4.39Å; F303-A307 HydrophobicContact CE1-CB 4.48Å; F303-A307 HydrophobicContact CE2-CB 4.02Å; F303-A307 HydrophobicContact CZ-CB 4.08Å; F303-A307 WeakPolarHBondContact O-CB 2.95Å; F303-A307 PolarHBondContact O-N 2.77Å; F303-Q333 HydrophobicContact CD2-CB 4.39Å; F303-Q333 HydrophobicContact CD2-CG 4.08Å; F303-Q333 WeakPolarHBondContact CE2-O 3.28Å
304	I	97.9	Very high	95.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-59.3	-48.9	179.6	-68.8	167.6	0	0	0	110.3	C169 M173 N300 V301 S306 M308 A558 V559 E562	C169-I304 HydrophobicContact CB-CD1 3.97Å; C169-I304 HydrophobicContact CB-CG1 3.74Å; M173-I304 HydrophobicContact CG-CG1 4.33Å; M173-I304 HydrophobicContact CG-CG2 4.01Å; M173-I304 HydrophobicContact SD-CB 4.28Å; M173-I304 HydrophobicContact SD-CG1 4.23Å; M173-I304 HydrophobicContact SD-CG2 4.03Å; N300-I304 WeakPolarHBondContact O-CG1 3.48Å; N300-I304 PolarHBondContact O-N 2.94Å; V301-I304 PolarHBondContact O-N 2.8Å; I304-S306 PolarHBondContact O-N 2.9Å; I304-M308 HydrophobicContact CG2-CG 4.33Å; I304-M308 HydrophobicContact CG2-SD 3.88Å; I304-M308 WeakPolarHBondContact O-CB 3.4Å; I304-M308 WeakPolarHBondContact O-CG 3.48Å; I304-M308 PolarHBondContact O-N 2.9Å; I304-A558 HydrophobicContact CG2-CB 3.9Å; I304-V559 HydrophobicContact CB-CG2 4.08Å; I304-V559 HydrophobicContact CG2-CG2 3.65Å; I304-E562 HydrophobicContact CD1-CB 3.63Å; I304-E562 HydrophobicContact CD1-CG 3.66Å
305	F	98.3	Very high	95.6	Very high	4 Å²	4	12.8 Å²	12.8	2%	0.018	8%	0.08	C	C	.	.	H	α-helix	trans	-56.6	-53.7	179.9	178.6	-94.2	0	0	0	111.5	V301 F303 T309 I463 L551 I555 L580 H592 T593 A594	V301-F305 WeakPolarHBondContact O-CB 3.26Å; V301-F305 PolarHBondContact O-N 3.19Å; F303-F305 PolarHBondContact O-N 2.84Å; F305-T309 VanDerWaalsContact O-CB 3.3Å; F305-T309 WeakPolarHBondContact O-CB 3.34Å; F305-T309 PolarHBondContact O-N 2.88Å; F305-T309 VanDerWaalsContact O-N 3.11Å; F305-T309 PolarHBondContact O-OG1 2.97Å; F305-I463 HydrophobicContact CD1-CG2 4.2Å; F305-I463 HydrophobicContact CE1-CG2 3.97Å; F305-L551 HydrophobicContact CD2-CD1 4.34Å; F305-L551 HydrophobicContact CE2-CD1 3.72Å; F305-I555 HydrophobicContact CB-CG2 4.46Å; F305-I555 HydrophobicContact CD2-CG2 3.81Å; F305-L580 HydrophobicContact CB-CD2 4.42Å; F305-L580 HydrophobicContact CD2-CB 4.4Å; F305-L580 HydrophobicContact CD2-CD2 3.8Å; F305-L580 HydrophobicContact CE2-CB 4.45Å; F305-L580 HydrophobicContact CG-CD2 4.45Å; F305-H592 HydrophobicContact CD1-CB 3.63Å; F305-H592 HydrophobicContact CD2-CB 4.01Å; F305-H592 HydrophobicContact CE1-CB 3.76Å; F305-H592 HydrophobicContact CE2-CB 4.14Å; F305-H592 HydrophobicContact CG-CB 3.76Å; F305-H592 HydrophobicContact CZ-CB 4.03Å; F305-T593 WeakPolarHBondContact CE1-O 3.29Å; F305-T593 VanDerWaalsContact CZ-C 3.46Å; F305-A594 HydrophobicContact CZ-CB 4.37Å
306	S	98.2	Very high	95.1	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-66.1	-47.5	-178.4	56.2	0	0	0	0	112.3	T302 F303 I304 M308 T309 I310 Q333	T302-S306 WeakPolarHBondContact O-CB 3.42Å; T302-S306 PolarHBondContact O-N 3.15Å; T302-S306 PolarHBondContact O-OG 3.22Å; F303-S306 PolarHBondContact O-N 2.93Å; F303-S306 PolarHBondContact O-OG 2.88Å; I304-S306 PolarHBondContact O-N 2.9Å; S306-M308 PolarHBondContact O-N 2.79Å; S306-T309 WeakPolarHBondContact O-CB 3.12Å; S306-T309 PolarHBondContact O-N 2.94Å; S306-I310 VanDerWaalsContact O-CG1 3.31Å; S306-I310 WeakPolarHBondContact O-CG1 3.41Å; S306-I310 PolarHBondContact O-N 2.67Å; S306-Q333 PolarHBondContact OG-NE2 2.64Å
307	A	98.1	Very high	94.1	Very high	2 Å²	2	22.1 Å²	22.1	2%	0.017	15%	0.146	C	C	.	.	H	α-helix	trans	-65.2	-43.8	-175.9	0	0	0	0	0	112.1	M173 F303 T309 I310 V311 L337 L340	M173-A307 HydrophobicContact CE-CB 4.41Å; M173-A307 HydrophobicContact SD-CB 4.41Å; F303-A307 HydrophobicContact CD2-CB 4.39Å; F303-A307 HydrophobicContact CE1-CB 4.48Å; F303-A307 HydrophobicContact CE2-CB 4.02Å; F303-A307 HydrophobicContact CZ-CB 4.08Å; F303-A307 WeakPolarHBondContact O-CB 2.95Å; F303-A307 PolarHBondContact O-N 2.77Å; A307-T309 VanDerWaalsContact C-N 3.34Å; A307-T309 PolarHBondContact O-N 3.41Å; A307-I310 PolarHBondContact O-N 2.97Å; A307-V311 WeakPolarHBondContact O-CG2 3.38Å; A307-V311 PolarHBondContact O-N 2.81Å; A307-L337 HydrophobicContact CB-CD1 4.04Å; A307-L340 HydrophobicContact CB-CD2 3.75Å
308	M	97.5	Very high	93.7	Very high	22 Å²	22	26.1 Å²	26.1	11%	0.108	16%	0.164	C	C	.	.	H	α-helix	trans	-66.3	-36.9	175.4	-68	-170.8	69.7	0	0	112.3	M173 I304 S306 I310 V311 Q312 I555 A558	M173-M308 HydrophobicContact CB-SD 4.44Å; M173-M308 HydrophobicContact CG-CG 3.86Å; M173-M308 HydrophobicContact CG-SD 3.8Å; M173-M308 HydrophobicContact SD-CG 3.32Å; M173-M308 WeakPolarHBondContact SD-CG 3.39Å; M173-M308 HydrophobicContact SD-SD 4.06Å; I304-M308 HydrophobicContact CG2-CG 4.33Å; I304-M308 HydrophobicContact CG2-SD 3.88Å; I304-M308 WeakPolarHBondContact O-CB 3.4Å; I304-M308 WeakPolarHBondContact O-CG 3.48Å; I304-M308 PolarHBondContact O-N 2.9Å; S306-M308 PolarHBondContact O-N 2.79Å; M308-I310 VanDerWaalsContact C-N 3.3Å; M308-I310 PolarHBondContact O-N 3.18Å; M308-V311 PolarHBondContact O-N 2.84Å; M308-Q312 WeakPolarHBondContact O-CB 3.48Å; M308-Q312 WeakPolarHBondContact O-CG 3.48Å; M308-Q312 PolarHBondContact O-N 3.18Å; M308-I555 HydrophobicContact CB-CD1 4.01Å; M308-I555 HydrophobicContact CB-CG1 3.74Å; M308-I555 HydrophobicContact CE-CG1 4.12Å; M308-I555 HydrophobicContact SD-CB 4.44Å; M308-I555 HydrophobicContact SD-CG1 4.16Å; M308-A558 HydrophobicContact CE-CB 4.35Å; M308-A558 HydrophobicContact SD-CB 3.54Å; M308-A558 VanDerWaalsContact SD-CB 3.54Å
309	T	98.2	Very high	93.5	Very high	10 Å²	10	29 Å²	29	6%	0.061	18%	0.184	C	C	.	.	H	α-helix	trans	-60.8	-42.6	175.8	-61.3	0	0	0	0	110.8	F305 S306 A307 Q312 A313 V461 I463 A594	F305-T309 VanDerWaalsContact O-CB 3.3Å; F305-T309 WeakPolarHBondContact O-CB 3.34Å; F305-T309 PolarHBondContact O-N 2.88Å; F305-T309 VanDerWaalsContact O-N 3.11Å; F305-T309 PolarHBondContact O-OG1 2.97Å; S306-T309 WeakPolarHBondContact O-CB 3.12Å; S306-T309 PolarHBondContact O-N 2.94Å; A307-T309 VanDerWaalsContact C-N 3.34Å; A307-T309 PolarHBondContact O-N 3.41Å; T309-Q312 PolarHBondContact O-N 3.4Å; T309-A313 PolarHBondContact O-N 2.87Å; T309-V461 HydrophobicContact CG2-CG1 3.67Å; T309-I463 HydrophobicContact CG2-CD1 3.91Å; T309-I463 HydrophobicContact CG2-CG1 3.99Å; T309-A594 HydrophobicContact CG2-CB 4.02Å
310	I	97.6	Very high	93.4	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-67.5	-47.2	177	-63.7	170.5	0	0	0	111.4	S306 A307 M308 Q312 A313 M314 L321 W334 L337 V424 I463	S306-I310 VanDerWaalsContact O-CG1 3.31Å; S306-I310 WeakPolarHBondContact O-CG1 3.41Å; S306-I310 PolarHBondContact O-N 2.67Å; A307-I310 PolarHBondContact O-N 2.97Å; M308-I310 VanDerWaalsContact C-N 3.3Å; M308-I310 PolarHBondContact O-N 3.18Å; I310-Q312 PolarHBondContact O-N 3.13Å; I310-A313 WeakPolarHBondContact O-CB 3.27Å; I310-A313 PolarHBondContact O-N 2.86Å; I310-M314 HydrophobicContact CG2-CG 4.46Å; I310-M314 WeakPolarHBondContact O-CG 3.39Å; I310-M314 PolarHBondContact O-N 3.37Å; I310-L321 HydrophobicContact CG2-CD1 4.2Å; I310-L321 HydrophobicContact CG2-CD2 4.03Å; I310-W334 HydrophobicContact CD1-CH2 4.46Å; I310-W334 HydrophobicContact CD1-CZ3 3.81Å; I310-L337 HydrophobicContact CB-CD1 4.22Å; I310-L337 HydrophobicContact CD1-CD1 4.43Å; I310-L337 HydrophobicContact CD1-CD2 3.61Å; I310-L337 HydrophobicContact CG2-CD1 4.19Å; I310-L337 HydrophobicContact CG2-CD2 4.18Å; I310-V424 HydrophobicContact CD1-CG1 4.04Å; I310-V424 HydrophobicContact CG1-CG1 3.87Å; I310-V424 HydrophobicContact CG1-CG2 4.13Å; I310-V424 HydrophobicContact CG2-CG2 4.33Å; I310-I463 HydrophobicContact CD1-CD1 4.08Å; I310-I463 HydrophobicContact CG1-CD1 3.65Å
311	V	94.8	Very high	93.4	Very high	43 Å²	43	28.9 Å²	28.9	26%	0.261	19%	0.186	S	C	.	.	H	α-helix	trans	-55.6	-38.1	176.9	167.2	0	0	0	0	111	A307 M308 M314 A315 L340 L341	A307-V311 WeakPolarHBondContact O-CG2 3.38Å; A307-V311 PolarHBondContact O-N 2.81Å; M308-V311 PolarHBondContact O-N 2.84Å; V311-M314 PolarHBondContact O-N 2.95Å; V311-A315 PolarHBondContact O-N 3.44Å; V311-L340 HydrophobicContact CG2-CD2 3.75Å; V311-L340 HydrophobicContact CG2-CG 4.1Å; V311-L341 HydrophobicContact CG2-CD2 4.04Å
312	Q	93.2	Very high	93.4	Very high	43 Å²	43	28.9 Å²	28.9	20%	0.201	19%	0.186	C	C	.	.	H	α-helix	trans	-72.8	-35	176.8	-70.2	166.8	10.9	0	0	113.5	M308 T309 I310 M314 A315 S554	M308-Q312 WeakPolarHBondContact O-CB 3.48Å; M308-Q312 WeakPolarHBondContact O-CG 3.48Å; M308-Q312 PolarHBondContact O-N 3.18Å; T309-Q312 PolarHBondContact O-N 3.4Å; I310-Q312 PolarHBondContact O-N 3.13Å; Q312-M314 PolarHBondContact O-N 3.32Å; Q312-A315 VanDerWaalsContact O-CB 3.23Å; Q312-A315 WeakPolarHBondContact O-CB 2.84Å; Q312-A315 PolarHBondContact O-N 3.16Å; Q312-S554 PolarHBondContact NE2-OG 2.92Å
313	A	93.5	Very high	93.5	Very high	14 Å²	14	28.9 Å²	28.9	12%	0.116	19%	0.186	C	C	.	.	H	α-helix	trans	-64.7	-28	173.2	0	0	0	0	0	112.1	T309 I310 A315 K318 V422 V461	T309-A313 PolarHBondContact O-N 2.87Å; I310-A313 WeakPolarHBondContact O-CB 3.27Å; I310-A313 PolarHBondContact O-N 2.86Å; A313-A315 VanDerWaalsContact C-N 3.34Å; A313-K318 PolarHBondContact O-NZ 2.8Å; A313-V422 HydrophobicContact CB-CG1 4.08Å; A313-V461 HydrophobicContact CB-CG2 3.77Å
314	M	92.3	Very high	93.5	Very high	18 Å²	18	28.9 Å²	28.9	9%	0.089	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	1.8	174.6	-66.4	-56.8	-62.3	0	0	114.4	I310 V311 Q312 K318 L321 P353 V422	I310-M314 HydrophobicContact CG2-CG 4.46Å; I310-M314 WeakPolarHBondContact O-CG 3.39Å; I310-M314 PolarHBondContact O-N 3.37Å; V311-M314 PolarHBondContact O-N 2.95Å; Q312-M314 PolarHBondContact O-N 3.32Å; M314-K318 HydrophobicContact CE-CB 3.88Å; M314-K318 WeakPolarHBondContact CE-O 3.2Å; M314-K318 HydrophobicContact SD-CB 4.47Å; M314-L321 HydrophobicContact CE-CB 3.95Å; M314-L321 HydrophobicContact CG-CD1 4.34Å; M314-L321 HydrophobicContact CG-CD2 4.33Å; M314-L321 HydrophobicContact SD-CB 3.75Å; M314-L321 HydrophobicContact SD-CD1 3.77Å; M314-L321 HydrophobicContact SD-CD2 4.34Å; M314-L321 HydrophobicContact SD-CG 4.14Å; M314-P353 HydrophobicContact CE-CB 3.86Å; M314-P353 HydrophobicContact CE-CG 4.26Å; M314-V422 HydrophobicContact CE-CG2 4.45Å; M314-V422 HydrophobicContact SD-CB 3.6Å; M314-V422 HydrophobicContact SD-CG1 3.89Å; M314-V422 HydrophobicContact SD-CG2 3.56Å; M314-V422 VanDerWaalsContact SD-CG2 3.56Å
315	A	87.9	Confident	93.5	Very high	65 Å²	65	29.1 Å²	29.1	54%	0.537	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	150.1	176	0	0	0	0	0	111.3	V311 Q312 A313	V311-A315 PolarHBondContact O-N 3.44Å; Q312-A315 VanDerWaalsContact O-CB 3.23Å; Q312-A315 WeakPolarHBondContact O-CB 2.84Å; Q312-A315 PolarHBondContact O-N 3.16Å; A313-A315 VanDerWaalsContact C-N 3.34Å
316	G	83.1	Confident	93.4	Very high	74 Å²	74	29 Å²	29	76%	0.763	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.3	26.1	-178	0	0	0	0	0	114.7	K318	G316-K318 VanDerWaalsContact C-N 3.3Å; G316-K318 PolarHBondContact O-N 2.94Å
317	N	75.3	Confident	92.9	Very high	130 Å²	130	29.7 Å²	29.7	70%	0.695	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.8	33.1	177.5	-66.8	-14.7	0	0	0	115	S319	N317-S319 PolarHBondContact O-N 3.36Å
318	K	86.7	Confident	92.3	Very high	85 Å²	85	29.7 Å²	29.7	37%	0.37	19%	0.193	S	C	.	.			trans	-62.1	131	175.1	-60.3	-172	-177	173.5	0	110.4	A313 M314 G316 V422 D460	A313-K318 PolarHBondContact O-NZ 2.8Å; M314-K318 HydrophobicContact CE-CB 3.88Å; M314-K318 WeakPolarHBondContact CE-O 3.2Å; M314-K318 HydrophobicContact SD-CB 4.47Å; G316-K318 VanDerWaalsContact C-N 3.3Å; G316-K318 PolarHBondContact O-N 2.94Å; K318-V422 HydrophobicContact CB-CG2 3.91Å; K318-V422 HydrophobicContact CD-CG2 3.1Å; K318-V422 HydrophobicContact CG-CG2 4.15Å; K318-D460 IonicContact NZ-OD1 3.03Å
319	S	89.8	Confident	91.4	Very high	65 Å²	65	33.8 Å²	33.8	46%	0.455	21%	0.208	S	C	.	.			trans	-92.9	-13.6	-168.8	62	0	0	0	0	113.8	N317 P353 V354	N317-S319 PolarHBondContact O-N 3.36Å; S319-P353 CarbonylContact O-C 3.55Å; S319-P353 WeakPolarHBondContact O-CA 3.33Å; S319-P353 WeakPolarHBondContact O-CB 3.32Å; S319-V354 PolarHBondContact O-N 2.86Å
320	S	93	Very high	90.7	Very high	27 Å²	27	36.8 Å²	36.8	19%	0.189	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	129.6	-173.7	-175.3	0	0	0	0	111.9	E421 V422	S320-E421 WeakPolarHBondContact OG-CB 3.48Å; S320-V422 PolarHBondContact O-N 2.9Å
321	L	95.6	Very high	90.2	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	120.6	-179.9	173.4	58.5	0	0	0	110.2	I310 M314 I323 L341 V354 V355 K356 V422 V424	I310-L321 HydrophobicContact CG2-CD1 4.2Å; I310-L321 HydrophobicContact CG2-CD2 4.03Å; M314-L321 HydrophobicContact CE-CB 3.95Å; M314-L321 HydrophobicContact CG-CD1 4.34Å; M314-L321 HydrophobicContact CG-CD2 4.33Å; M314-L321 HydrophobicContact SD-CB 3.75Å; M314-L321 HydrophobicContact SD-CD1 3.77Å; M314-L321 HydrophobicContact SD-CD2 4.34Å; M314-L321 HydrophobicContact SD-CG 4.14Å; L321-I323 HydrophobicContact CD1-CG1 4.03Å; L321-I323 HydrophobicContact CD2-CD1 4.04Å; L321-I323 HydrophobicContact CD2-CG1 4.2Å; L321-I323 HydrophobicContact CG-CD1 4.32Å; L321-I323 HydrophobicContact CG-CG1 3.96Å; L321-L341 HydrophobicContact CD2-CD1 3.81Å; L321-V354 PolarHBondContact N-O 3.16Å; L321-V355 CarbonylContact O-C 3.53Å; L321-V355 WeakPolarHBondContact O-CA 3.46Å; L321-K356 PolarHBondContact O-N 2.9Å; L321-V422 HydrophobicContact CD1-CB 4.34Å; L321-V422 HydrophobicContact CD1-CG1 4.32Å; L321-V424 HydrophobicContact CD1-CG2 3.92Å
322	H	96.9	Very high	90.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	115.7	170	-172.6	-173.2	0	0	0	110.4	K356 T358 E421 V422 L423 V424	H322-K356 CarbonylContact C-O 3.52Å; H322-K356 VanDerWaalsContact CA-O 3.32Å; H322-K356 WeakPolarHBondContact CA-O 3.45Å; H322-K356 HydrophobicContact CB-CB 4.22Å; H322-K356 HydrophobicContact CB-CD 4.48Å; H322-K356 PolarHBondContact CD2-O 2.79Å; H322-K356 WeakPolarHBondContact CE1-CE 3.46Å; H322-K356 PolarHBondContact CE1-NZ 3.5Å; H322-T358 PolarHBondContact NE2-OG1 2.82Å; H322-E421 HydrophobicContact CB-CG 4.46Å; H322-E421 IonicContact CG-OE2 3.87Å; H322-E421 IonicContact ND1-OE1 2.65Å; H322-E421 PolarHBondContact ND1-OE1 3.35Å; H322-E421 IonicContact ND1-OE2 2.74Å; H322-V422 PolarHBondContact N-O 2.94Å; H322-L423 HydrophobicContact CB-CD1 4.06Å; H322-L423 WeakPolarHBondContact O-CA 3.32Å; H322-V424 PolarHBondContact O-N 2.9Å
323	I	98.4	Very high	90.2	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.021	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	125.5	174.7	-57.3	167.3	0	0	0	109.3	L321 W334 L337 K356 F357 T358 V424	L321-I323 HydrophobicContact CD1-CG1 4.03Å; L321-I323 HydrophobicContact CD2-CD1 4.04Å; L321-I323 HydrophobicContact CD2-CG1 4.2Å; L321-I323 HydrophobicContact CG-CD1 4.32Å; L321-I323 HydrophobicContact CG-CG1 3.96Å; I323-W334 HydrophobicContact CD1-CE3 4.1Å; I323-W334 HydrophobicContact CD1-CZ3 4.14Å; I323-W334 HydrophobicContact CG2-CE3 4.15Å; I323-W334 HydrophobicContact CG2-CH2 3.72Å; I323-W334 HydrophobicContact CG2-CZ2 4.25Å; I323-W334 HydrophobicContact CG2-CZ3 3.66Å; I323-L337 HydrophobicContact CD1-CD2 3.53Å; I323-K356 PolarHBondContact N-O 3.08Å; I323-F357 HydrophobicContact CB-CD2 3.84Å; I323-F357 HydrophobicContact CB-CE2 4.09Å; I323-F357 HydrophobicContact CD1-CD2 4.32Å; I323-F357 HydrophobicContact CG2-CD2 3.96Å; I323-F357 HydrophobicContact CG2-CE2 3.67Å; I323-F357 CarbonylContact O-C 3.59Å; I323-F357 WeakPolarHBondContact O-CA 3.43Å; I323-T358 PolarHBondContact O-N 3.03Å; I323-V424 CarbonylContact C-O 3.6Å; I323-V424 WeakPolarHBondContact CA-O 3.44Å
324	V	98.2	Very high	90.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	111.9	171.3	-179.9	0	0	0	0	108	Y326 T358 I360 L409 L423 V424 V425 S426	V324-Y326 HydrophobicContact CG1-CE2 4.39Å; V324-T358 WeakPolarHBondContact CA-O 3.43Å; V324-I360 HydrophobicContact CG1-CD1 3.48Å; V324-I360 VanDerWaalsContact CG1-CD1 3.48Å; V324-I360 HydrophobicContact CG1-CG1 4.25Å; V324-L409 HydrophobicContact CG1-CD2 4.04Å; V324-L409 HydrophobicContact CG2-CD1 3.92Å; V324-L409 HydrophobicContact CG2-CD2 3.68Å; V324-L409 HydrophobicContact CG2-CG 4.41Å; V324-L423 HydrophobicContact CG2-CD1 3.73Å; V324-V424 PolarHBondContact N-O 2.9Å; V324-V425 HydrophobicContact CB-CG2 4.13Å; V324-V425 CarbonylContact O-C 3.54Å; V324-V425 WeakPolarHBondContact O-CA 3.43Å; V324-S426 PolarHBondContact O-N 3.07Å
325	D	97.3	Very high	90.6	Very high	5 Å²	5	33.2 Å²	33.2	3%	0.027	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	117.2	-175.4	-179.1	41.9	0	0	0	110.9	T328 W334 F357 T358 I360	D325-T328 PolarHBondContact O-OG1 2.9Å; D325-T328 WeakPolarHBondContact OD2-CA 3.2Å; D325-T328 VanDerWaalsContact OD2-CB 3.31Å; D325-T328 WeakPolarHBondContact OD2-CB 3.41Å; D325-T328 PolarHBondContact OD2-OG1 3.11Å; D325-W334 HydrophobicContact CB-CZ2 3.71Å; D325-W334 WeakPolarHBondContact OD1-CZ2 3.29Å; D325-W334 PolarHBondContact OD2-NE1 3.38Å; D325-F357 HydrophobicContact CB-CE1 4.35Å; D325-F357 HydrophobicContact CB-CE2 4.29Å; D325-F357 HydrophobicContact CB-CZ 3.64Å; D325-T358 PolarHBondContact N-O 2.89Å; D325-I360 PolarHBondContact O-N 3.37Å
326	Y	95.7	Very high	91	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	120.6	173.2	-78.4	-90.7	0	0	0	110.4	V324 I360 W401 V425 S426 S430 F431 V450 V454 M457	V324-Y326 HydrophobicContact CG1-CE2 4.39Å; Y326-I360 HydrophobicContact CD1-CB 4.05Å; Y326-I360 HydrophobicContact CD1-CD1 3.9Å; Y326-I360 HydrophobicContact CD1-CG2 3.81Å; Y326-I360 HydrophobicContact CD2-CD1 4.1Å; Y326-I360 HydrophobicContact CE1-CB 4.38Å; Y326-I360 HydrophobicContact CE1-CD1 3.54Å; Y326-I360 HydrophobicContact CE1-CG2 3.95Å; Y326-I360 HydrophobicContact CE2-CD1 3.74Å; Y326-I360 HydrophobicContact CG-CB 4.47Å; Y326-I360 HydrophobicContact CG-CD1 4.18Å; Y326-I360 VanDerWaalsContact CZ-CD1 3.46Å; Y326-W401 HydrophobicContact CD1-CB 3.8Å; Y326-W401 HydrophobicContact CD1-CD2 4.33Å; Y326-W401 AromaticContact CD1-CG 3.82Å; Y326-W401 HydrophobicContact CD1-CG 3.82Å; Y326-W401 HydrophobicContact CE1-CB 3.76Å; Y326-W401 HydrophobicContact CE1-CG 4.25Å; Y326-V425 HydrophobicContact CD2-CG1 3.99Å; Y326-V425 HydrophobicContact CE2-CG1 3.74Å; Y326-S426 PolarHBondContact N-O 3.46Å; Y326-S430 VanDerWaalsContact O-CB 3.26Å; Y326-S430 WeakPolarHBondContact O-CB 3.37Å; Y326-S430 PolarHBondContact O-OG 3.29Å; Y326-F431 AromaticContact CD1-CE1 3.67Å; Y326-F431 HydrophobicContact CD1-CE1 3.67Å; Y326-F431 HydrophobicContact CD1-CZ 4.34Å; Y326-F431 AromaticContact CD2-CE1 3.97Å; Y326-F431 HydrophobicContact CD2-CE1 3.97Å; Y326-F431 AromaticContact CD2-CZ 3.99Å; Y326-F431 HydrophobicContact CD2-CZ 3.99Å; Y326-F431 HydrophobicContact CE1-CE1 4.17Å; Y326-F431 HydrophobicContact CE2-CE1 4.45Å; Y326-F431 HydrophobicContact CE2-CZ 4.21Å; Y326-F431 AromaticContact CG-CE1 3.53Å; Y326-F431 HydrophobicContact CG-CE1 3.53Å; Y326-F431 HydrophobicContact CG-CZ 4.05Å; Y326-V450 HydrophobicContact CE1-CG2 3.89Å; Y326-V454 HydrophobicContact CE2-CG2 4.19Å; Y326-M457 WeakPolarHBondContact OH-CE 3.46Å
327	G	88.4	Confident	91.7	Very high	15 Å²	15	26.8 Å²	26.8	16%	0.155	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	46.4	178.1	0	0	0	0	0	113.2	R329 I360 S430	G327-R329 WeakPolarHBondContact O-CG 3.49Å; G327-R329 PolarHBondContact O-N 3.03Å; G327-I360 WeakPolarHBondContact CA-O 3.5Å; G327-I360 PolarHBondContact N-O 3.24Å; G327-S430 WeakPolarHBondContact CA-OG 3.4Å
328	T	84.7	Confident	92.8	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.012	10%	0.104	C	C	.	.			trans	-54.5	114.6	175.7	-56.2	0	0	0	0	111.4	D325 F357 A359 Y368 I376	D325-T328 PolarHBondContact O-OG1 2.9Å; D325-T328 WeakPolarHBondContact OD2-CA 3.2Å; D325-T328 VanDerWaalsContact OD2-CB 3.31Å; D325-T328 WeakPolarHBondContact OD2-CB 3.41Å; D325-T328 PolarHBondContact OD2-OG1 3.11Å; T328-F357 HydrophobicContact CG2-CE1 4.33Å; T328-F357 HydrophobicContact CG2-CZ 4.46Å; T328-A359 HydrophobicContact CG2-CB 4.32Å; T328-A359 WeakPolarHBondContact OG1-CB 3.42Å; T328-Y368 PolarHBondContact O-OH 3.3Å; T328-I376 HydrophobicContact CG2-CG2 4.17Å
329	R	78.9	Confident	93.2	Very high	109 Å²	109	18.4 Å²	18.4	41%	0.411	9%	0.093	S	C	.	.			trans	-91.8	-74.8	-175.9	-69.4	-176.6	-71	166.7	-3.3	113.9	G327 I376	G327-R329 WeakPolarHBondContact O-CG 3.49Å; G327-R329 PolarHBondContact O-N 3.03Å; R329-I376 WeakPolarHBondContact O-CD1 3.49Å
330	Y	83.1	Confident	93.4	Very high	73 Å²	73	15.6 Å²	15.6	29%	0.286	7%	0.073	S	C	.	.	S	Bend	trans	-120.3	-10.3	-174.7	-56.8	-61.1	0	0	0	113.5	F158 M162 F285 Y289 F332	F158-Y330 AromaticContact CE2-CD1 3.96Å; F158-Y330 HydrophobicContact CE2-CD1 3.96Å; F158-Y330 HydrophobicContact CE2-CG 4.42Å; F158-Y330 VanDerWaalsContact CZ-O 3.27Å; F158-Y330 WeakPolarHBondContact CZ-O 3.38Å; M162-Y330 WeakPolarHBondContact CE-O 3.42Å; F285-Y330 HydrophobicContact CE1-CE1 4.09Å; F285-Y330 AromaticContact CE1-CE2 3.86Å; F285-Y330 HydrophobicContact CE1-CE2 3.86Å; F285-Y330 AromaticContact CE1-CZ 3.43Å; F285-Y330 VanDerWaalsContact CE1-CZ 3.43Å; F285-Y330 WeakPolarHBondContact CE1-OH 3.39Å; F285-Y330 HydrophobicContact CZ-CE2 4.02Å; F285-Y330 AromaticContact CZ-CZ 3.61Å; F285-Y330 WeakPolarHBondContact CZ-OH 3.35Å; Y289-Y330 HydrophobicContact CE2-CD2 4.33Å; Y289-Y330 HydrophobicContact CE2-CE2 4.49Å; Y330-F332 HydrophobicContact CD2-CD2 4.49Å; Y330-F332 HydrophobicContact CD2-CE2 4.35Å; Y330-F332 HydrophobicContact CG-CD2 4.41Å; Y330-F332 HydrophobicContact CG-CE2 4.12Å; Y330-F332 PolarHBondContact O-N 2.75Å
331	G	88.7	Confident	93.5	Very high	5 Å²	5	14.8 Å²	14.8	5%	0.052	7%	0.066	C	C	.	.	S	Bend	trans	72.3	-0.6	-177.3	0	0	0	0	0	115.9	Q333 W334 A335	G331-Q333 VanDerWaalsContact C-N 3.27Å; G331-Q333 PolarHBondContact O-N 3.41Å; G331-W334 PolarHBondContact O-N 2.97Å; G331-A335 PolarHBondContact O-N 3.25Å
332	F	92.4	Very high	93.4	Very high	7 Å²	7	16 Å²	16	3%	0.031	7%	0.074	C	C	.	.	H	α-helix	trans	-56.1	-40.4	179.3	-64	-35.1	0	0	0	113.3	F158 M161 M162 A165 Y166 L286 Y289 Y330 W334 G336	F158-F332 HydrophobicContact CD1-CE1 4.13Å; F158-F332 HydrophobicContact CD2-CE1 4.28Å; F158-F332 AromaticContact CD2-CZ 3.95Å; F158-F332 HydrophobicContact CD2-CZ 3.95Å; F158-F332 AromaticContact CE1-CE1 3.86Å; F158-F332 HydrophobicContact CE1-CE1 3.86Å; F158-F332 HydrophobicContact CE1-CZ 4.41Å; F158-F332 HydrophobicContact CE2-CE1 4.01Å; F158-F332 AromaticContact CE2-CZ 3.72Å; F158-F332 HydrophobicContact CE2-CZ 3.72Å; F158-F332 HydrophobicContact CG-CE1 4.34Å; F158-F332 HydrophobicContact CG-CZ 4.38Å; F158-F332 AromaticContact CZ-CE1 3.8Å; F158-F332 HydrophobicContact CZ-CE1 3.8Å; F158-F332 AromaticContact CZ-CZ 3.99Å; F158-F332 HydrophobicContact CZ-CZ 3.99Å; M161-F332 HydrophobicContact CB-CE1 4.12Å; M161-F332 HydrophobicContact CB-CZ 4.15Å; M161-F332 HydrophobicContact CE-CE2 4.17Å; M161-F332 HydrophobicContact CE-CZ 4.22Å; M162-F332 HydrophobicContact CB-CD1 3.86Å; M162-F332 HydrophobicContact CB-CE1 3.94Å; M162-F332 HydrophobicContact CE-CD1 4.13Å; M162-F332 HydrophobicContact CE-CE1 4.48Å; M162-F332 HydrophobicContact CG-CD1 4.28Å; A165-F332 HydrophobicContact CB-CB 3.88Å; A165-F332 HydrophobicContact CB-CG 4.47Å; Y166-F332 HydrophobicContact CE2-CB 4.25Å; L286-F332 HydrophobicContact CD2-CE2 4.46Å; L286-F332 HydrophobicContact CD2-CZ 4.02Å; Y289-F332 HydrophobicContact CD1-CD2 4.36Å; Y289-F332 HydrophobicContact CD1-CE2 4.08Å; Y289-F332 AromaticContact CE1-CD2 3.6Å; Y289-F332 HydrophobicContact CE1-CD2 3.6Å; Y289-F332 AromaticContact CE1-CE2 3.78Å; Y289-F332 HydrophobicContact CE1-CE2 3.78Å; Y289-F332 AromaticContact CZ-CD2 3.76Å; Y330-F332 HydrophobicContact CD2-CD2 4.49Å; Y330-F332 HydrophobicContact CD2-CE2 4.35Å; Y330-F332 HydrophobicContact CG-CD2 4.41Å; Y330-F332 HydrophobicContact CG-CE2 4.12Å; Y330-F332 PolarHBondContact O-N 2.75Å; F332-W334 VanDerWaalsContact C-N 3.33Å; F332-W334 PolarHBondContact O-N 2.8Å; F332-G336 PolarHBondContact O-N 2.88Å
333	Q	94.4	Very high	93.1	Very high	24 Å²	24	18.2 Å²	18.2	11%	0.112	9%	0.088	C	C	.	.	H	α-helix	trans	-61.4	-42.4	175.5	165.7	168.4	4.8	0	0	112	Y166 F303 S306 G331 G336 L337	Y166-Q333 HydrophobicContact CE2-CB 4.22Å; F303-Q333 HydrophobicContact CD2-CB 4.39Å; F303-Q333 HydrophobicContact CD2-CG 4.08Å; F303-Q333 WeakPolarHBondContact CE2-O 3.28Å; S306-Q333 PolarHBondContact OG-NE2 2.64Å; G331-Q333 VanDerWaalsContact C-N 3.27Å; G331-Q333 PolarHBondContact O-N 3.41Å; Q333-G336 PolarHBondContact O-N 3.08Å; Q333-L337 PolarHBondContact O-N 3.47Å
334	W	97.1	Very high	92.6	Very high	8 Å²	8	19.2 Å²	19.2	3%	0.03	10%	0.096	C	C	.	.	H	α-helix	trans	-73.2	-37.2	-178	-53.2	126.7	0	0	0	111.8	I310 I323 D325 G331 F332 G336 L337 L338 F357 L380 L428	I310-W334 HydrophobicContact CD1-CH2 4.46Å; I310-W334 HydrophobicContact CD1-CZ3 3.81Å; I323-W334 HydrophobicContact CD1-CE3 4.1Å; I323-W334 HydrophobicContact CD1-CZ3 4.14Å; I323-W334 HydrophobicContact CG2-CE3 4.15Å; I323-W334 HydrophobicContact CG2-CH2 3.72Å; I323-W334 HydrophobicContact CG2-CZ2 4.25Å; I323-W334 HydrophobicContact CG2-CZ3 3.66Å; D325-W334 HydrophobicContact CB-CZ2 3.71Å; D325-W334 WeakPolarHBondContact OD1-CZ2 3.29Å; D325-W334 PolarHBondContact OD2-NE1 3.38Å; G331-W334 PolarHBondContact O-N 2.97Å; F332-W334 VanDerWaalsContact C-N 3.33Å; F332-W334 PolarHBondContact O-N 2.8Å; W334-G336 VanDerWaalsContact C-N 3.33Å; W334-G336 PolarHBondContact O-N 3.45Å; W334-L337 HydrophobicContact CE3-CD2 3.74Å; W334-L337 HydrophobicContact CZ3-CD2 3.86Å; W334-L337 PolarHBondContact O-N 3.49Å; W334-L338 WeakPolarHBondContact O-CG 3.45Å; W334-L338 PolarHBondContact O-N 3.49Å; W334-F357 HydrophobicContact CB-CE2 4.09Å; W334-F357 AromaticContact CD1-CE2 3.54Å; W334-F357 AromaticContact CD1-CZ 3.32Å; W334-F357 AromaticContact CD2-CE2 3.47Å; W334-F357 HydrophobicContact CD2-CE2 3.47Å; W334-F357 VanDerWaalsContact CD2-CE2 3.47Å; W334-F357 AromaticContact CD2-CZ 3.99Å; W334-F357 HydrophobicContact CD2-CZ 3.99Å; W334-F357 AromaticContact CE2-CE2 3.69Å; W334-F357 AromaticContact CE2-CZ 3.8Å; W334-F357 HydrophobicContact CE3-CE2 4.02Å; W334-F357 HydrophobicContact CG-CD2 4.45Å; W334-F357 AromaticContact CG-CE2 3.44Å; W334-F357 HydrophobicContact CG-CE2 3.44Å; W334-F357 VanDerWaalsContact CG-CE2 3.44Å; W334-F357 AromaticContact CG-CZ 3.75Å; W334-F357 HydrophobicContact CG-CZ 3.75Å; W334-F357 HydrophobicContact CZ2-CE2 4.42Å; W334-F357 AromaticContact NE1-CE2 3.71Å; W334-F357 AromaticContact NE1-CZ 3.38Å; W334-L380 HydrophobicContact CB-CD1 4.07Å; W334-L380 HydrophobicContact CB-CD2 3.86Å; W334-L428 HydrophobicContact CZ2-CD1 4.39Å
335	A	96.9	Very high	92	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-64.9	-36.1	169.6	0	0	0	0	0	112.6	M162 G331 R339 L380	M162-A335 HydrophobicContact CG-CB 3.42Å; M162-A335 VanDerWaalsContact CG-CB 3.42Å; M162-A335 HydrophobicContact SD-CB 4.16Å; G331-A335 PolarHBondContact O-N 3.25Å; A335-R339 PolarHBondContact O-N 2.86Å; A335-R339 PolarHBondContact O-NE 2.87Å; A335-L380 HydrophobicContact CB-CD2 4.1Å
336	G	96.7	Very high	91.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-62.6	-44.5	170.6	0	0	0	0	0	112.2	I170 F332 Q333 W334 R339 L340	I170-G336 WeakPolarHBondContact CD1-O 3.4Å; F332-G336 PolarHBondContact O-N 2.88Å; Q333-G336 PolarHBondContact O-N 3.08Å; W334-G336 VanDerWaalsContact C-N 3.33Å; W334-G336 PolarHBondContact O-N 3.45Å; G336-R339 PolarHBondContact O-N 3.42Å; G336-L340 PolarHBondContact O-N 2.96Å
337	L	97.6	Very high	90.6	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.016	16%	0.156	C	C	.	.	H	α-helix	trans	-63.5	-46	177.9	176.4	65.9	0	0	0	112.2	A307 I310 I323 Q333 W334 R339 L340 L341	A307-L337 HydrophobicContact CB-CD1 4.04Å; I310-L337 HydrophobicContact CB-CD1 4.22Å; I310-L337 HydrophobicContact CD1-CD1 4.43Å; I310-L337 HydrophobicContact CD1-CD2 3.61Å; I310-L337 HydrophobicContact CG2-CD1 4.19Å; I310-L337 HydrophobicContact CG2-CD2 4.18Å; I323-L337 HydrophobicContact CD1-CD2 3.53Å; Q333-L337 PolarHBondContact O-N 3.47Å; W334-L337 HydrophobicContact CE3-CD2 3.74Å; W334-L337 HydrophobicContact CZ3-CD2 3.86Å; W334-L337 PolarHBondContact O-N 3.49Å; L337-R339 VanDerWaalsContact C-N 3.25Å; L337-R339 PolarHBondContact O-N 3.19Å; L337-L340 WeakPolarHBondContact O-CB 3.32Å; L337-L340 PolarHBondContact O-N 2.92Å; L337-L340 VanDerWaalsContact O-N 3.1Å; L337-L341 HydrophobicContact CD1-CD1 4.25Å; L337-L341 HydrophobicContact CD1-CG 4.16Å; L337-L341 HydrophobicContact CG-CD1 4.01Å; L337-L341 HydrophobicContact CG-CG 4.36Å; L337-L341 WeakPolarHBondContact O-CG 3.43Å; L337-L341 PolarHBondContact O-N 2.89Å
338	L	97.6	Very high	90	Very high	5 Å²	5	36 Å²	36	3%	0.026	18%	0.18	C	C	.	.	H	α-helix	trans	-57.8	-40.4	177.8	-71.6	173.1	0	0	0	111.5	W334 S342 V355 A384 L387 F389 F392	W334-L338 WeakPolarHBondContact O-CG 3.45Å; W334-L338 PolarHBondContact O-N 3.49Å; L338-S342 VanDerWaalsContact O-CB 3.32Å; L338-S342 WeakPolarHBondContact O-CB 3.34Å; L338-S342 PolarHBondContact O-N 3.1Å; L338-V355 HydrophobicContact CD2-CG1 4.41Å; L338-V355 HydrophobicContact CD2-CG2 4.26Å; L338-A384 HydrophobicContact CD1-CB 4.05Å; L338-L387 HydrophobicContact CB-CD1 3.79Å; L338-F389 HydrophobicContact CB-CE2 4.04Å; L338-F389 HydrophobicContact CB-CZ 4.2Å; L338-F389 HydrophobicContact CD2-CD1 4.43Å; L338-F389 HydrophobicContact CD2-CD2 4.43Å; L338-F389 HydrophobicContact CD2-CE1 3.94Å; L338-F389 HydrophobicContact CD2-CE2 3.94Å; L338-F389 HydrophobicContact CD2-CZ 3.68Å; L338-F389 WeakPolarHBondContact O-CE2 3.43Å; L338-F389 WeakPolarHBondContact O-CZ 3.47Å; L338-F392 HydrophobicContact CD1-CD2 4.41Å; L338-F392 HydrophobicContact CD1-CE2 4.02Å; L338-F392 HydrophobicContact CD2-CD2 4.28Å; L338-F392 HydrophobicContact CD2-CE2 4.18Å
339	R	95.8	Very high	89.6	Confident	34 Å²	34	44.5 Å²	44.5	13%	0.128	22%	0.219	C	C	.	.	H	α-helix	trans	-65.7	-44.3	174.2	-80.1	174.6	-71.7	160.9	7	112.2	M162 S163 R164 A165 I170 A335 G336 L337 L341 S342 T343 L387	M162-R339 PolarHBondContact O-NH2 3.14Å; S163-R339 PolarHBondContact O-NH1 2.7Å; R164-R339 VanDerWaalsContact CA-NH1 3.3Å; A165-R339 PolarHBondContact O-NH1 3.07Å; A165-R339 PolarHBondContact O-NH2 2.83Å; I170-R339 HydrophobicContact CD1-CB 4.12Å; A335-R339 PolarHBondContact O-N 2.86Å; A335-R339 PolarHBondContact O-NE 2.87Å; G336-R339 PolarHBondContact O-N 3.42Å; L337-R339 VanDerWaalsContact C-N 3.25Å; L337-R339 PolarHBondContact O-N 3.19Å; R339-L341 VanDerWaalsContact C-N 3.33Å; R339-L341 PolarHBondContact O-N 2.9Å; R339-S342 WeakPolarHBondContact O-CB 3.44Å; R339-S342 PolarHBondContact O-N 2.81Å; R339-T343 WeakPolarHBondContact O-CG2 3.47Å; R339-T343 PolarHBondContact O-N 3.24Å; R339-T343 PolarHBondContact O-OG1 3.26Å; R339-L387 HydrophobicContact CG-CD1 3.72Å; R339-L387 HydrophobicContact CG-CD2 3.82Å; R339-L387 HydrophobicContact CG-CG 4.39Å
340	L	95.2	Very high	89.5	Confident	7 Å²	7	40.4 Å²	40.4	4%	0.037	21%	0.209	C	C	.	.	H	α-helix	trans	-60.8	-42.9	177.2	-180	65.2	0	0	0	112	I170 M173 A307 V311 G336 L337 S342 T343 S344	I170-L340 HydrophobicContact CG1-CB 4.43Å; I170-L340 HydrophobicContact CG2-CD1 4.08Å; M173-L340 HydrophobicContact CE-CD1 4.08Å; M173-L340 HydrophobicContact CE-CD2 3.58Å; M173-L340 HydrophobicContact CE-CG 4.38Å; M173-L340 HydrophobicContact SD-CD2 3.94Å; A307-L340 HydrophobicContact CB-CD2 3.75Å; V311-L340 HydrophobicContact CG2-CD2 3.75Å; V311-L340 HydrophobicContact CG2-CG 4.1Å; G336-L340 PolarHBondContact O-N 2.96Å; L337-L340 WeakPolarHBondContact O-CB 3.32Å; L337-L340 PolarHBondContact O-N 2.92Å; L337-L340 VanDerWaalsContact O-N 3.1Å; L340-S342 VanDerWaalsContact C-N 3.34Å; L340-T343 PolarHBondContact O-OG1 3.12Å; L340-S344 VanDerWaalsContact O-CB 3.25Å; L340-S344 WeakPolarHBondContact O-CB 3.41Å; L340-S344 PolarHBondContact O-N 3.02Å; L340-S344 PolarHBondContact O-OG 3.26Å
341	L	94.4	Very high	89.7	Confident	10 Å²	10	40.2 Å²	40.2	5%	0.052	23%	0.228	C	C	.	.	H	α-helix	trans	-62.5	-44.3	174.7	-71.7	171.1	0	0	0	110.5	V311 L321 L337 R339 T343 S344 S345 F389	V311-L341 HydrophobicContact CG2-CD2 4.04Å; L321-L341 HydrophobicContact CD2-CD1 3.81Å; L337-L341 HydrophobicContact CD1-CD1 4.25Å; L337-L341 HydrophobicContact CD1-CG 4.16Å; L337-L341 HydrophobicContact CG-CD1 4.01Å; L337-L341 HydrophobicContact CG-CG 4.36Å; L337-L341 WeakPolarHBondContact O-CG 3.43Å; L337-L341 PolarHBondContact O-N 2.89Å; R339-L341 VanDerWaalsContact C-N 3.33Å; R339-L341 PolarHBondContact O-N 2.9Å; L341-T343 PolarHBondContact O-N 3.07Å; L341-S344 PolarHBondContact O-N 3Å; L341-S345 WeakPolarHBondContact O-CB 3.4Å; L341-S345 PolarHBondContact O-N 3.02Å; L341-S345 PolarHBondContact O-OG 2.66Å; L341-F389 HydrophobicContact CB-CE1 4.43Å; L341-F389 HydrophobicContact CB-CZ 3.97Å
342	S	93.5	Very high	89.9	Confident	24 Å²	24	42.1 Å²	42.1	17%	0.168	24%	0.237	C	C	.	.	H	α-helix	trans	-58.8	-48.4	177.3	-176	0	0	0	0	112.9	L338 R339 L340 S346	L338-S342 VanDerWaalsContact O-CB 3.32Å; L338-S342 WeakPolarHBondContact O-CB 3.34Å; L338-S342 PolarHBondContact O-N 3.1Å; R339-S342 WeakPolarHBondContact O-CB 3.44Å; R339-S342 PolarHBondContact O-N 2.81Å; L340-S342 VanDerWaalsContact C-N 3.34Å; S342-S346 PolarHBondContact O-N 3.05Å
343	T	91.1	Very high	90	Very high	48 Å²	48	42 Å²	42	29%	0.294	24%	0.237	S	C	.	.	H	α-helix	trans	-70.1	-33.9	178.9	64.3	0	0	0	0	112.7	E174 R339 L340 L341 K347	E174-T343 VanDerWaalsContact OE1-CB 3.25Å; E174-T343 WeakPolarHBondContact OE1-CB 3.49Å; E174-T343 PolarHBondContact OE1-OG1 3.14Å; R339-T343 WeakPolarHBondContact O-CG2 3.47Å; R339-T343 PolarHBondContact O-N 3.24Å; R339-T343 PolarHBondContact O-OG1 3.26Å; L340-T343 PolarHBondContact O-OG1 3.12Å; L341-T343 PolarHBondContact O-N 3.07Å; T343-K347 WeakPolarHBondContact O-CG 3.14Å; T343-K347 PolarHBondContact O-N 3.39Å
344	S	87.8	Confident	89.9	Confident	25 Å²	25	43.6 Å²	43.6	18%	0.175	25%	0.248	C	C	.	.	H	α-helix	trans	-68.3	-47.3	177.7	-59.3	0	0	0	0	112	L340 L341 S346 K347 Q348	L340-S344 VanDerWaalsContact O-CB 3.25Å; L340-S344 WeakPolarHBondContact O-CB 3.41Å; L340-S344 PolarHBondContact O-N 3.02Å; L340-S344 PolarHBondContact O-OG 3.26Å; L341-S344 PolarHBondContact O-N 3Å; S344-S346 PolarHBondContact O-N 2.91Å; S344-K347 PolarHBondContact O-N 3.3Å; S344-Q348 WeakPolarHBondContact O-CG 2.9Å; S344-Q348 PolarHBondContact O-N 3.27Å; S344-Q348 VanDerWaalsContact O-N 3.07Å
345	S	85.8	Confident	89.9	Confident	13 Å²	13	43.2 Å²	43.2	9%	0.091	25%	0.247	C	C	.	.	H	α-helix	trans	-61.2	-42.3	177.5	-69.7	0	0	0	0	111.9	L341 K347 Q348 Q349 A350 G351	L341-S345 WeakPolarHBondContact O-CB 3.4Å; L341-S345 PolarHBondContact O-N 3.02Å; L341-S345 PolarHBondContact O-OG 2.66Å; S345-K347 VanDerWaalsContact C-N 3.32Å; S345-K347 PolarHBondContact O-N 2.86Å; S345-Q348 PolarHBondContact O-N 3.44Å; S345-Q349 PolarHBondContact O-N 2.97Å; S345-A350 PolarHBondContact O-N 3.3Å; S345-G351 PolarHBondContact OG-O 3.05Å
346	S	84.2	Confident	89.9	Confident	90 Å²	90	44.4 Å²	44.4	63%	0.629	25%	0.252	S	S	*	.	H	α-helix	trans	-60.4	-39.7	176.3	176.4	0	0	0	0	112.6	S342 S344 Q349	S342-S346 PolarHBondContact O-N 3.05Å; S344-S346 PolarHBondContact O-N 2.91Å; S346-Q349 PolarHBondContact O-N 3.47Å
347	K	78.2	Confident	90	Very high	130 Å²	130	44.5 Å²	44.5	57%	0.565	25%	0.253	S	S	*	.	H	α-helix	trans	-70.4	-34.1	178.2	-75.1	172.1	179.3	166.9	0	113	E174 T343 S344 S345 Q349	E174-K347 VanDerWaalsContact CG-NZ 3.34Å; E174-K347 IonicContact OE1-NZ 2.91Å; E174-K347 PolarHBondContact OE1-NZ 3.5Å; E174-K347 IonicContact OE2-NZ 3.35Å; E174-K347 PolarHBondContact OE2-NZ 3.32Å; T343-K347 WeakPolarHBondContact O-CG 3.14Å; T343-K347 PolarHBondContact O-N 3.39Å; S344-K347 PolarHBondContact O-N 3.3Å; S345-K347 VanDerWaalsContact C-N 3.32Å; S345-K347 PolarHBondContact O-N 2.86Å; K347-Q349 VanDerWaalsContact C-N 3.32Å
348	Q	77.2	Confident	89.9	Confident	140 Å²	140	44.4 Å²	44.4	65%	0.654	25%	0.252	S	S	*	.	H	α-helix	trans	-86.8	-4	-179.5	-68.2	176.3	-22.5	0	0	113	S344 S345 A350	S344-Q348 WeakPolarHBondContact O-CG 2.9Å; S344-Q348 PolarHBondContact O-N 3.27Å; S344-Q348 VanDerWaalsContact O-N 3.07Å; S345-Q348 PolarHBondContact O-N 3.44Å; Q348-A350 HydrophobicContact CB-CB 4.14Å; Q348-A350 PolarHBondContact O-N 2.94Å; Q348-A350 VanDerWaalsContact O-N 3.16Å
349	Q	75.5	Confident	89.8	Confident	179 Å²	179	44.2 Å²	44.2	84%	0.836	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	27	-169.5	-154.2	63.7	50.4	0	0	112.4	S345 S346 K347	S345-Q349 PolarHBondContact O-N 2.97Å; S346-Q349 PolarHBondContact O-N 3.47Å; K347-Q349 VanDerWaalsContact C-N 3.32Å
350	A	77.2	Confident	89.7	Confident	24 Å²	24	42.6 Å²	42.6	20%	0.198	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-89.2	155.9	177.7	0	0	0	0	0	110.4	S345 Q348	S345-A350 PolarHBondContact O-N 3.3Å; Q348-A350 HydrophobicContact CB-CB 4.14Å; Q348-A350 PolarHBondContact O-N 2.94Å; Q348-A350 VanDerWaalsContact O-N 3.16Å
351	G	86.9	Confident	89.4	Confident	68 Å²	68	42.4 Å²	42.4	70%	0.701	25%	0.245	S	C	*	.	P	Polyproline II helix	trans	-64.9	150.8	171.3	0	0	0	0	0	111.9	S345	S345-G351 PolarHBondContact OG-O 3.05Å
352	L	93	Very high	88.7	Confident	45 Å²	45	42.7 Å²	42.7	24%	0.236	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-74.8	137.9	167.4	-69	171.5	0	0	0	109.5	G388 F389 P390	L352-G388 WeakPolarHBondContact CD1-O 3.33Å; L352-F389 HydrophobicContact CB-CD1 4.37Å; L352-F389 HydrophobicContact CD2-CE1 4.47Å; L352-F389 HydrophobicContact CD2-CZ 4.35Å; L352-P390 WeakPolarHBondContact O-CG 3.5Å
353	P	93.2	Very high	87.8	Confident	5 Å²	5	44.4 Å²	44.4	3%	0.032	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-71.8	155.9	179.9	30.4	-35.1	0	0	0	111.4	M314 S319 V355 F389	M314-P353 HydrophobicContact CE-CB 3.86Å; M314-P353 HydrophobicContact CE-CG 4.26Å; S319-P353 CarbonylContact O-C 3.55Å; S319-P353 WeakPolarHBondContact O-CA 3.33Å; S319-P353 WeakPolarHBondContact O-CB 3.32Å; P353-V355 HydrophobicContact CG-CG2 4.27Å; P353-F389 HydrophobicContact CG-CE1 4.18Å; P353-F389 WeakPolarHBondContact O-CD1 3.43Å
354	V	94.3	Very high	86.6	Confident	57 Å²	57	45.8 Å²	45.8	35%	0.345	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	131.7	158.5	174.4	0	0	0	0	107.9	S319 L321 P390	S319-V354 PolarHBondContact O-N 2.86Å; L321-V354 PolarHBondContact N-O 3.16Å; V354-P390 HydrophobicContact CG2-CG 4.1Å
355	V	97	Very high	85.2	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.006	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	128.9	-178.5	-178.9	0	0	0	0	110.5	L321 L338 P353 F389 S391 F392 K393	L321-V355 CarbonylContact O-C 3.53Å; L321-V355 WeakPolarHBondContact O-CA 3.46Å; L338-V355 HydrophobicContact CD2-CG1 4.41Å; L338-V355 HydrophobicContact CD2-CG2 4.26Å; P353-V355 HydrophobicContact CG-CG2 4.27Å; V355-F389 HydrophobicContact CG2-CD1 3.65Å; V355-F389 HydrophobicContact CG2-CE1 3.68Å; V355-S391 PolarHBondContact N-O 2.75Å; V355-F392 HydrophobicContact CB-CD2 3.8Å; V355-F392 HydrophobicContact CB-CE2 4.29Å; V355-F392 HydrophobicContact CG1-CD2 3.72Å; V355-F392 HydrophobicContact CG1-CE2 3.68Å; V355-F392 CarbonylContact O-C 3.6Å; V355-F392 VanDerWaalsContact O-CA 3.23Å; V355-F392 WeakPolarHBondContact O-CA 3.45Å; V355-K393 PolarHBondContact O-N 3.21Å
356	K	96.6	Very high	83.4	Confident	24 Å²	24	51.1 Å²	51.1	10%	0.104	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	133.9	166.6	-176.6	179.5	166.8	-165.9	0	108.1	L321 H322 I323 K393 L409 H410	L321-K356 PolarHBondContact O-N 2.9Å; H322-K356 CarbonylContact C-O 3.52Å; H322-K356 VanDerWaalsContact CA-O 3.32Å; H322-K356 WeakPolarHBondContact CA-O 3.45Å; H322-K356 HydrophobicContact CB-CB 4.22Å; H322-K356 HydrophobicContact CB-CD 4.48Å; H322-K356 PolarHBondContact CD2-O 2.79Å; H322-K356 WeakPolarHBondContact CE1-CE 3.46Å; H322-K356 PolarHBondContact CE1-NZ 3.5Å; I323-K356 PolarHBondContact N-O 3.08Å; K356-K393 CarbonylContact C-O 3.45Å; K356-K393 WeakPolarHBondContact CA-O 2.99Å; K356-K393 HydrophobicContact CG-CB 4.5Å; K356-L409 WeakPolarHBondContact CE-O 3.49Å; K356-L409 PolarHBondContact NZ-O 2.69Å; K356-H410 PolarHBondContact NZ-O 3.39Å
357	F	97.6	Very high	81.8	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.009	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	123.3	-179.7	-168.8	-83.5	0	0	0	109.3	I323 D325 T328 W334 A359 L380 F392 K393 F394 H395	I323-F357 HydrophobicContact CB-CD2 3.84Å; I323-F357 HydrophobicContact CB-CE2 4.09Å; I323-F357 HydrophobicContact CD1-CD2 4.32Å; I323-F357 HydrophobicContact CG2-CD2 3.96Å; I323-F357 HydrophobicContact CG2-CE2 3.67Å; I323-F357 CarbonylContact O-C 3.59Å; I323-F357 WeakPolarHBondContact O-CA 3.43Å; D325-F357 HydrophobicContact CB-CE1 4.35Å; D325-F357 HydrophobicContact CB-CE2 4.29Å; D325-F357 HydrophobicContact CB-CZ 3.64Å; T328-F357 HydrophobicContact CG2-CE1 4.33Å; T328-F357 HydrophobicContact CG2-CZ 4.46Å; W334-F357 HydrophobicContact CB-CE2 4.09Å; W334-F357 AromaticContact CD1-CE2 3.54Å; W334-F357 AromaticContact CD1-CZ 3.32Å; W334-F357 AromaticContact CD2-CE2 3.47Å; W334-F357 HydrophobicContact CD2-CE2 3.47Å; W334-F357 VanDerWaalsContact CD2-CE2 3.47Å; W334-F357 AromaticContact CD2-CZ 3.99Å; W334-F357 HydrophobicContact CD2-CZ 3.99Å; W334-F357 AromaticContact CE2-CE2 3.69Å; W334-F357 AromaticContact CE2-CZ 3.8Å; W334-F357 HydrophobicContact CE3-CE2 4.02Å; W334-F357 HydrophobicContact CG-CD2 4.45Å; W334-F357 AromaticContact CG-CE2 3.44Å; W334-F357 HydrophobicContact CG-CE2 3.44Å; W334-F357 VanDerWaalsContact CG-CE2 3.44Å; W334-F357 AromaticContact CG-CZ 3.75Å; W334-F357 HydrophobicContact CG-CZ 3.75Å; W334-F357 HydrophobicContact CZ2-CE2 4.42Å; W334-F357 AromaticContact NE1-CE2 3.71Å; W334-F357 AromaticContact NE1-CZ 3.38Å; F357-A359 HydrophobicContact CD1-CB 4.42Å; F357-A359 HydrophobicContact CE1-CB 3.91Å; F357-L380 HydrophobicContact CE1-CD1 4.46Å; F357-F392 HydrophobicContact CB-CE1 4.45Å; F357-F392 HydrophobicContact CB-CE2 4.25Å; F357-F392 HydrophobicContact CB-CZ 3.75Å; F357-F392 HydrophobicContact CG-CZ 4.36Å; F357-K393 PolarHBondContact N-O 2.92Å; F357-F394 HydrophobicContact CB-CD2 4.27Å; F357-F394 AromaticContact CD1-CD2 3.59Å; F357-F394 HydrophobicContact CD1-CD2 3.59Å; F357-F394 AromaticContact CD1-CE2 3.47Å; F357-F394 HydrophobicContact CD1-CE2 3.47Å; F357-F394 VanDerWaalsContact CD1-CE2 3.47Å; F357-F394 HydrophobicContact CE1-CD2 4.43Å; F357-F394 AromaticContact CE1-CE2 3.88Å; F357-F394 HydrophobicContact CE1-CE2 3.88Å; F357-F394 HydrophobicContact CG-CD2 4.28Å; F357-F394 CarbonylContact O-C 3.56Å; F357-F394 WeakPolarHBondContact O-CA 3.33Å; F357-H395 PolarHBondContact O-N 2.96Å
358	T	97	Very high	80.6	Confident	2 Å²	2	47 Å²	47	1%	0.012	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	110.5	174.9	-62.3	0	0	0	0	109.1	H322 I323 V324 D325 I360 H395 I397 L409	H322-T358 PolarHBondContact NE2-OG1 2.82Å; I323-T358 PolarHBondContact O-N 3.03Å; V324-T358 WeakPolarHBondContact CA-O 3.43Å; D325-T358 PolarHBondContact N-O 2.89Å; T358-I360 HydrophobicContact CG2-CG1 4.37Å; T358-H395 CarbonylContact C-O 3.59Å; T358-H395 VanDerWaalsContact CA-O 3.26Å; T358-H395 WeakPolarHBondContact CA-O 3.35Å; T358-I397 HydrophobicContact CG2-CD1 3.52Å; T358-I397 HydrophobicContact CG2-CG1 3.98Å; T358-L409 HydrophobicContact CG2-CD2 4.27Å
359	A	95.4	Very high	79.6	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	118.5	173.7	0	0	0	0	0	109.7	T328 F357 V373 F394 H395 A396 I397	T328-A359 HydrophobicContact CG2-CB 4.32Å; T328-A359 WeakPolarHBondContact OG1-CB 3.42Å; F357-A359 HydrophobicContact CD1-CB 4.42Å; F357-A359 HydrophobicContact CE1-CB 3.91Å; A359-V373 HydrophobicContact CB-CG2 3.54Å; A359-F394 HydrophobicContact CB-CE2 4.03Å; A359-F394 HydrophobicContact CB-CZ 3.72Å; A359-H395 PolarHBondContact N-O 2.97Å; A359-A396 WeakPolarHBondContact O-CA 3.28Å; A359-I397 PolarHBondContact O-N 3.44Å
360	I	93.8	Very high	78.9	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	118.8	173.2	-60.2	169.5	0	0	0	108.5	V324 D325 Y326 G327 T358 I397 W401 V404	V324-I360 HydrophobicContact CG1-CD1 3.48Å; V324-I360 VanDerWaalsContact CG1-CD1 3.48Å; V324-I360 HydrophobicContact CG1-CG1 4.25Å; D325-I360 PolarHBondContact O-N 3.37Å; Y326-I360 HydrophobicContact CD1-CB 4.05Å; Y326-I360 HydrophobicContact CD1-CD1 3.9Å; Y326-I360 HydrophobicContact CD1-CG2 3.81Å; Y326-I360 HydrophobicContact CD2-CD1 4.1Å; Y326-I360 HydrophobicContact CE1-CB 4.38Å; Y326-I360 HydrophobicContact CE1-CD1 3.54Å; Y326-I360 HydrophobicContact CE1-CG2 3.95Å; Y326-I360 HydrophobicContact CE2-CD1 3.74Å; Y326-I360 HydrophobicContact CG-CB 4.47Å; Y326-I360 HydrophobicContact CG-CD1 4.18Å; Y326-I360 VanDerWaalsContact CZ-CD1 3.46Å; G327-I360 WeakPolarHBondContact CA-O 3.5Å; G327-I360 PolarHBondContact N-O 3.24Å; T358-I360 HydrophobicContact CG2-CG1 4.37Å; I360-I397 WeakPolarHBondContact CA-O 3.28Å; I360-I397 HydrophobicContact CG1-CB 4.38Å; I360-W401 HydrophobicContact CG2-CG 4.49Å; I360-V404 HydrophobicContact CD1-CB 4.27Å; I360-V404 HydrophobicContact CD1-CG1 3.74Å; I360-V404 HydrophobicContact CD1-CG2 4.41Å; I360-V404 HydrophobicContact CG1-CG1 4.37Å; I360-V404 HydrophobicContact CG2-CG2 3.86Å
361	T	88.9	Confident	78.6	Confident	4 Å²	4	42 Å²	42	3%	0.025	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	139.1	-178.9	54.6	0	0	0	0	111.4	Y368 V373 I397 T398 R399	T361-Y368 HydrophobicContact CG2-CD1 4.38Å; T361-Y368 HydrophobicContact CG2-CE1 3.71Å; T361-V373 HydrophobicContact CG2-CB 4.03Å; T361-V373 HydrophobicContact CG2-CG1 4.41Å; T361-V373 HydrophobicContact CG2-CG2 3.93Å; T361-I397 PolarHBondContact N-O 3.16Å; T361-I397 PolarHBondContact OG1-O 3.46Å; T361-T398 WeakPolarHBondContact O-CA 3.28Å; T361-T398 PolarHBondContact OG1-OG1 3.33Å; T361-R399 PolarHBondContact O-N 3.49Å
362	D	79.6	Confident	78.1	Confident	15 Å²	15	42.9 Å²	42.9	8%	0.08	24%	0.241	C	C	.	.			trans	-74.5	130.5	179.4	-169.9	-17.9	0	0	0	110.9	R364 P365 W401	D362-R364 VanDerWaalsContact C-N 3.33Å; D362-R364 VanDerWaalsContact CG-NE 3.33Å; D362-R364 WeakPolarHBondContact OD1-CB 3.21Å; D362-R364 VanDerWaalsContact OD1-CG 3.22Å; D362-R364 WeakPolarHBondContact OD1-CG 2.92Å; D362-R364 PolarHBondContact OD1-N 3.44Å; D362-R364 IonicContact OD1-NE 2.98Å; D362-R364 PolarHBondContact OD1-NE 2.91Å; D362-R364 VanDerWaalsContact OD1-NE 3.07Å; D362-R364 IonicContact OD2-CZ 3.87Å; D362-R364 IonicContact OD2-NE 3.33Å; D362-R364 PolarHBondContact OD2-NE 3.33Å; D362-R364 IonicContact OD2-NH2 3.93Å; D362-R364 PolarHBondContact OD2-NH2 2.92Å; D362-P365 VanDerWaalsContact O-CD 3.27Å; D362-P365 WeakPolarHBondContact O-CD 3.47Å; D362-W401 HydrophobicContact CB-CZ2 4.09Å
363	P	74	Confident	77.8	Confident	60 Å²	60	40.8 Å²	40.8	39%	0.39	23%	0.23	S	C	.	.	S	Bend	trans	-74.9	-17.5	174.9	30.1	-37	0	0	0	113.9	P365 T398 R399	P363-P365 CarbonylContact O-C 3.13Å; P363-T398 HydrophobicContact CB-CG2 4.09Å; P363-R399 WeakPolarHBondContact CD-O 3.36Å
364	R	66.3	Low	77.6	Confident	78 Å²	78	44.5 Å²	44.5	29%	0.294	25%	0.247	S	C	.	.			trans	-63.6	-38.4	-171.5	-70	177.2	-68	175	-0.4	115.1	D362 A366 V433	D362-R364 VanDerWaalsContact C-N 3.33Å; D362-R364 VanDerWaalsContact CG-NE 3.33Å; D362-R364 WeakPolarHBondContact OD1-CB 3.21Å; D362-R364 VanDerWaalsContact OD1-CG 3.22Å; D362-R364 WeakPolarHBondContact OD1-CG 2.92Å; D362-R364 PolarHBondContact OD1-N 3.44Å; D362-R364 IonicContact OD1-NE 2.98Å; D362-R364 PolarHBondContact OD1-NE 2.91Å; D362-R364 VanDerWaalsContact OD1-NE 3.07Å; D362-R364 IonicContact OD2-CZ 3.87Å; D362-R364 IonicContact OD2-NE 3.33Å; D362-R364 PolarHBondContact OD2-NE 3.33Å; D362-R364 IonicContact OD2-NH2 3.93Å; D362-R364 PolarHBondContact OD2-NH2 2.92Å; R364-A366 VanDerWaalsContact C-N 3.29Å; R364-A366 PolarHBondContact O-N 2.96Å; R364-V433 PolarHBondContact NH1-O 2.78Å; R364-V433 PolarHBondContact NH2-O 2.89Å
365	P	56.9	Low	77.4	Confident	59 Å²	59	44.4 Å²	44.4	38%	0.383	24%	0.24	S	C	.	.	S	Bend	trans	-65.6	102	163.8	0.1	16.1	0	0	0	105.7	D362 P363 H367 Y368	D362-P365 VanDerWaalsContact O-CD 3.27Å; D362-P365 WeakPolarHBondContact O-CD 3.47Å; P363-P365 CarbonylContact O-C 3.13Å; P365-H367 PolarHBondContact O-N 3.37Å; P365-Y368 PolarHBondContact O-N 2.8Å
366	A	49	Very low	77	Confident	90 Å²	90	44.8 Å²	44.8	74%	0.744	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-8.6	168.2	0	0	0	0	0	112.7	R364	R364-A366 VanDerWaalsContact C-N 3.29Å; R364-A366 PolarHBondContact O-N 2.96Å
367	H	49.4	Very low	77	Confident	61 Å²	61	43.8 Å²	43.8	28%	0.282	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.9	13.7	-174.1	-42.3	99.8	0	0	0	113.3	S273 A276 P365 P369	S273-H367 WeakPolarHBondContact CB-NE2 3.45Å; A276-H367 HydrophobicContact CB-CB 4.01Å; P365-H367 PolarHBondContact O-N 3.37Å; H367-P369 WeakPolarHBondContact O-CD 3.11Å
368	Y	54.6	Low	76.9	Confident	72 Å²	72	50.7 Å²	50.7	28%	0.282	26%	0.264	S	S	.	.	S	Bend	trans	-96.2	82.5	162	-163.2	-84.2	0	0	0	107.7	T328 T361 P365 G370 Q372 V373	T328-Y368 PolarHBondContact O-OH 3.3Å; T361-Y368 HydrophobicContact CG2-CD1 4.38Å; T361-Y368 HydrophobicContact CG2-CE1 3.71Å; P365-Y368 PolarHBondContact O-N 2.8Å; Y368-G370 PolarHBondContact O-N 3.34Å; Y368-Q372 HydrophobicContact CE1-CB 4.45Å; Y368-V373 HydrophobicContact CE1-CB 4Å; Y368-V373 HydrophobicContact CE1-CG1 4.34Å
369	P	54.8	Low	76.8	Confident	55 Å²	55	52.3 Å²	52.3	36%	0.357	27%	0.27	S	S	.	.			trans	-61	131.7	-178.9	21.1	-28.3	0	0	0	108.4	H367 E371 Q372	H367-P369 WeakPolarHBondContact O-CD 3.11Å; P369-E371 HydrophobicContact CB-CB 4.42Å; P369-E371 PolarHBondContact O-N 2.88Å; P369-Q372 HydrophobicContact CG-CG 3.78Å; P369-Q372 WeakPolarHBondContact O-CB 3.44Å; P369-Q372 PolarHBondContact O-N 3.46Å
370	G	62.2	Low	76.9	Confident	37 Å²	37	52.3 Å²	52.3	38%	0.381	27%	0.27	S	S	.	.	H	α-helix	trans	-51.5	-24.6	175.1	0	0	0	0	0	112.5	Y368 Q372 V373 E374	Y368-G370 PolarHBondContact O-N 3.34Å; G370-Q372 PolarHBondContact O-N 3.32Å; G370-V373 WeakPolarHBondContact O-CG1 3.26Å; G370-V373 PolarHBondContact O-N 3.01Å; G370-E374 WeakPolarHBondContact O-CG 3.33Å; G370-E374 PolarHBondContact O-N 2.68Å
371	E	69.7	Low	77.1	Confident	146 Å²	146	55 Å²	55	68%	0.682	29%	0.287	S	S	*	.	H	α-helix	trans	-55.7	-32.4	171.8	-61	-174.1	171.8	0	0	113.9	P369 R375	P369-E371 HydrophobicContact CB-CB 4.42Å; P369-E371 PolarHBondContact O-N 2.88Å; E371-R375 WeakPolarHBondContact O-CB 3.23Å; E371-R375 VanDerWaalsContact O-CG 3.26Å; E371-R375 WeakPolarHBondContact O-CG 3.33Å; E371-R375 PolarHBondContact O-N 2.71Å
372	Q	77.1	Confident	77.5	Confident	88 Å²	88	59.1 Å²	59.1	41%	0.411	31%	0.305	S	S	.	.	H	α-helix	trans	-72.3	-44	-179.8	-68.7	-72.8	86.8	0	0	112	Y368 P369 G370 E374 R375 I376	Y368-Q372 HydrophobicContact CE1-CB 4.45Å; P369-Q372 HydrophobicContact CG-CG 3.78Å; P369-Q372 WeakPolarHBondContact O-CB 3.44Å; P369-Q372 PolarHBondContact O-N 3.46Å; G370-Q372 PolarHBondContact O-N 3.32Å; Q372-E374 VanDerWaalsContact C-N 3.3Å; Q372-E374 PolarHBondContact O-N 3.31Å; Q372-R375 PolarHBondContact O-N 3.14Å; Q372-I376 WeakPolarHBondContact O-CD1 3.42Å; Q372-I376 VanDerWaalsContact O-CG1 3.31Å; Q372-I376 WeakPolarHBondContact O-CG1 3.34Å; Q372-I376 PolarHBondContact O-N 2.87Å
373	V	86.5	Confident	78.3	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.006	31%	0.306	C	S	.	.	H	α-helix	trans	-64.8	-38.2	174.2	58.5	0	0	0	0	110.9	A359 T361 Y368 G370 I376 G377 F394 A396	A359-V373 HydrophobicContact CB-CG2 3.54Å; T361-V373 HydrophobicContact CG2-CB 4.03Å; T361-V373 HydrophobicContact CG2-CG1 4.41Å; T361-V373 HydrophobicContact CG2-CG2 3.93Å; Y368-V373 HydrophobicContact CE1-CB 4Å; Y368-V373 HydrophobicContact CE1-CG1 4.34Å; G370-V373 WeakPolarHBondContact O-CG1 3.26Å; G370-V373 PolarHBondContact O-N 3.01Å; V373-I376 WeakPolarHBondContact O-CB 3.27Å; V373-I376 PolarHBondContact O-N 3.37Å; V373-G377 PolarHBondContact O-N 3.49Å; V373-F394 HydrophobicContact CG2-CE1 4.19Å; V373-F394 HydrophobicContact CG2-CZ 3.73Å; V373-F394 WeakPolarHBondContact O-CZ 3.5Å; V373-A396 HydrophobicContact CG1-CB 4.05Å; V373-A396 HydrophobicContact CG2-CB 3.95Å
374	E	89.7	Confident	79.4	Confident	83 Å²	83	56.3 Å²	56.3	39%	0.388	29%	0.288	S	S	.	.	H	α-helix	trans	-65.5	-38.2	173.6	-70.3	-58.9	148.2	0	0	112.8	G370 Q372 I376 G377 R378 A396	G370-E374 WeakPolarHBondContact O-CG 3.33Å; G370-E374 PolarHBondContact O-N 2.68Å; Q372-E374 VanDerWaalsContact C-N 3.3Å; Q372-E374 PolarHBondContact O-N 3.31Å; E374-I376 VanDerWaalsContact C-N 3.33Å; E374-I376 PolarHBondContact O-N 2.96Å; E374-G377 PolarHBondContact O-N 3.17Å; E374-R378 WeakPolarHBondContact O-CG 3.27Å; E374-R378 PolarHBondContact O-N 2.89Å; E374-A396 WeakPolarHBondContact OE1-CB 3.27Å
375	R	88.7	Confident	80.9	Confident	55 Å²	55	61.3 Å²	61.3	21%	0.208	31%	0.306	C	S	.	.	H	α-helix	trans	-61.7	-41.3	172.4	-79.1	177.2	81.8	147.2	4.2	111.1	E151 E371 Q372 R378 R379	E151-R375 IonicContact OE1-CZ 3.38Å; E151-R375 IonicContact OE1-NH1 2.67Å; E151-R375 PolarHBondContact OE1-NH1 3.14Å; E151-R375 IonicContact OE1-NH2 3.82Å; E371-R375 WeakPolarHBondContact O-CB 3.23Å; E371-R375 VanDerWaalsContact O-CG 3.26Å; E371-R375 WeakPolarHBondContact O-CG 3.33Å; E371-R375 PolarHBondContact O-N 2.71Å; Q372-R375 PolarHBondContact O-N 3.14Å; R375-R378 PolarHBondContact O-N 2.77Å; R375-R379 WeakPolarHBondContact O-CG 3.24Å; R375-R379 PolarHBondContact O-N 3.42Å; R375-R379 VanDerWaalsContact O-N 3.11Å
376	I	89.9	Confident	82.7	Confident	8 Å²	8	64.8 Å²	64.8	4%	0.041	32%	0.318	C	S	.	.	H	α-helix	trans	-63.5	-45	175	-65.5	159.7	0	0	0	110.1	T328 R329 Q372 V373 E374 R378 R379 L380	T328-I376 HydrophobicContact CG2-CG2 4.17Å; R329-I376 WeakPolarHBondContact O-CD1 3.49Å; Q372-I376 WeakPolarHBondContact O-CD1 3.42Å; Q372-I376 VanDerWaalsContact O-CG1 3.31Å; Q372-I376 WeakPolarHBondContact O-CG1 3.34Å; Q372-I376 PolarHBondContact O-N 2.87Å; V373-I376 WeakPolarHBondContact O-CB 3.27Å; V373-I376 PolarHBondContact O-N 3.37Å; E374-I376 VanDerWaalsContact C-N 3.33Å; E374-I376 PolarHBondContact O-N 2.96Å; I376-R378 PolarHBondContact O-N 2.92Å; I376-R379 PolarHBondContact O-N 2.98Å; I376-R379 VanDerWaalsContact O-N 3.16Å; I376-L380 HydrophobicContact CG2-CD1 3.94Å; I376-L380 HydrophobicContact CG2-CG 4.26Å; I376-L380 WeakPolarHBondContact O-CG 3.46Å; I376-L380 PolarHBondContact O-N 3.46Å
377	G	95.2	Very high	84.9	Confident	3 Å²	3	62.7 Å²	62.7	3%	0.031	29%	0.293	C	S	.	.	H	α-helix	trans	-57.6	-44.8	176.7	0	0	0	0	0	113.2	V373 E374 R379 L380 T381 F394	V373-G377 PolarHBondContact O-N 3.49Å; E374-G377 PolarHBondContact O-N 3.17Å; G377-R379 PolarHBondContact O-N 3.44Å; G377-L380 PolarHBondContact O-N 2.89Å; G377-T381 WeakPolarHBondContact O-CB 3.27Å; G377-T381 PolarHBondContact O-N 3.24Å; G377-T381 PolarHBondContact O-OG1 2.92Å; G377-F394 VanDerWaalsContact CA-CD2 3.42Å; G377-F394 VanDerWaalsContact CA-CE2 3.43Å; G377-F394 VanDerWaalsContact CA-CG 3.49Å
378	R	95.8	Very high	87.1	Confident	147 Å²	147	62.2 Å²	62.2	56%	0.555	31%	0.305	S	S	*	.	H	α-helix	trans	-60.9	-43	174.7	-72.7	-169	-68.3	-85.7	11	112.3	E374 R375 I376 T381 K382	E374-R378 WeakPolarHBondContact O-CG 3.27Å; E374-R378 PolarHBondContact O-N 2.89Å; R375-R378 PolarHBondContact O-N 2.77Å; I376-R378 PolarHBondContact O-N 2.92Å; R378-T381 PolarHBondContact O-N 3.24Å; R378-K382 WeakPolarHBondContact O-CB 3.32Å; R378-K382 PolarHBondContact O-N 3.49Å
379	R	94.8	Very high	89.2	Confident	36 Å²	36	59.5 Å²	59.5	14%	0.136	30%	0.295	C	S	.	.	H	α-helix	trans	-67.1	-42.1	178.7	-71.5	177.2	172	128.7	-3.3	112.4	S155 F158 D159 M162 R375 I376 G377 K382 C383	S155-R379 PolarHBondContact OG-NH2 3.08Å; S155-R379 VanDerWaalsContact OG-NH2 3.15Å; F158-R379 VanDerWaalsContact CD1-NE 3.33Å; D159-R379 WeakPolarHBondContact OD1-CD 3.33Å; D159-R379 IonicContact OD1-CZ 3.33Å; D159-R379 IonicContact OD1-NE 2.97Å; D159-R379 PolarHBondContact OD1-NE 3.03Å; D159-R379 IonicContact OD1-NH2 2.87Å; M162-R379 HydrophobicContact CE-CB 4.23Å; M162-R379 HydrophobicContact SD-CB 3.58Å; M162-R379 VanDerWaalsContact SD-CB 3.58Å; M162-R379 HydrophobicContact SD-CG 4.46Å; R375-R379 WeakPolarHBondContact O-CG 3.24Å; R375-R379 PolarHBondContact O-N 3.42Å; R375-R379 VanDerWaalsContact O-N 3.11Å; I376-R379 PolarHBondContact O-N 2.98Å; I376-R379 VanDerWaalsContact O-N 3.16Å; G377-R379 PolarHBondContact O-N 3.44Å; R379-K382 PolarHBondContact O-N 3.37Å; R379-C383 WeakPolarHBondContact O-CB 3.22Å; R379-C383 PolarHBondContact O-N 3.22Å
380	L	97.3	Very high	91.1	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-64.7	-40.7	174.9	-68.7	177.3	0	0	0	111.7	W334 A335 F357 I376 G377 K382 C383 A384 F392 F394	W334-L380 HydrophobicContact CB-CD1 4.07Å; W334-L380 HydrophobicContact CB-CD2 3.86Å; A335-L380 HydrophobicContact CB-CD2 4.1Å; F357-L380 HydrophobicContact CE1-CD1 4.46Å; I376-L380 HydrophobicContact CG2-CD1 3.94Å; I376-L380 HydrophobicContact CG2-CG 4.26Å; I376-L380 WeakPolarHBondContact O-CG 3.46Å; I376-L380 PolarHBondContact O-N 3.46Å; G377-L380 PolarHBondContact O-N 2.89Å; L380-K382 PolarHBondContact O-N 2.75Å; L380-C383 WeakPolarHBondContact O-CB 3.21Å; L380-C383 PolarHBondContact O-N 3.17Å; L380-A384 WeakPolarHBondContact O-CB 3.44Å; L380-A384 PolarHBondContact O-N 2.61Å; L380-F392 HydrophobicContact CB-CE1 3.88Å; L380-F392 HydrophobicContact CB-CZ 3.69Å; L380-F392 HydrophobicContact CD1-CZ 4.49Å; L380-F394 HydrophobicContact CD1-CE2 4.43Å
381	T	97.9	Very high	92.7	Very high	58 Å²	58	61.1 Å²	61.1	36%	0.356	30%	0.3	S	S	.	.	H	α-helix	trans	-61	-45.1	174.8	-57.6	0	0	0	0	111.4	G377 R378 A384 R385	G377-T381 WeakPolarHBondContact O-CB 3.27Å; G377-T381 PolarHBondContact O-N 3.24Å; G377-T381 PolarHBondContact O-OG1 2.92Å; R378-T381 PolarHBondContact O-N 3.24Å; T381-A384 PolarHBondContact O-N 3.22Å; T381-R385 WeakPolarHBondContact O-CB 3.44Å; T381-R385 PolarHBondContact O-N 3.41Å
382	K	97.2	Very high	94	Very high	90 Å²	90	55.6 Å²	55.6	39%	0.391	27%	0.273	S	S	.	.	H	α-helix	trans	-59.2	-48.4	174.4	179.1	-176.4	170.4	-173	0	111	R378 R379 L380 A384 R385 E386	R378-K382 WeakPolarHBondContact O-CB 3.32Å; R378-K382 PolarHBondContact O-N 3.49Å; R379-K382 PolarHBondContact O-N 3.37Å; L380-K382 PolarHBondContact O-N 2.75Å; K382-A384 PolarHBondContact O-N 3.39Å; K382-R385 PolarHBondContact O-N 3.09Å; K382-E386 WeakPolarHBondContact CE-OE1 3.4Å; K382-E386 WeakPolarHBondContact CG-OE1 3.26Å; K382-E386 WeakPolarHBondContact O-CG 3.21Å; K382-E386 PolarHBondContact O-N 3.32Å
383	C	96.6	Very high	94.9	Very high	15 Å²	15	57.2 Å²	57.2	10%	0.101	28%	0.279	C	S	.	.	H	α-helix	trans	-59	-47.3	178.8	-176.6	0	0	0	0	111.8	R379 L380 R385 E386 L387	R379-C383 WeakPolarHBondContact O-CB 3.22Å; R379-C383 PolarHBondContact O-N 3.22Å; L380-C383 WeakPolarHBondContact O-CB 3.21Å; L380-C383 PolarHBondContact O-N 3.17Å; C383-R385 VanDerWaalsContact C-N 3.35Å; C383-R385 PolarHBondContact O-N 2.97Å; C383-E386 PolarHBondContact O-N 3.1Å; C383-L387 WeakPolarHBondContact O-CB 3.35Å; C383-L387 WeakPolarHBondContact O-CD1 3.31Å; C383-L387 VanDerWaalsContact O-CG 3.25Å; C383-L387 WeakPolarHBondContact O-CG 3.47Å; C383-L387 PolarHBondContact O-N 3.43Å
384	A	97.6	Very high	95.4	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.008	29%	0.286	C	S	.	.	H	α-helix	trans	-61.7	-41.7	178.4	0	0	0	0	0	112.3	L338 L380 T381 K382 L387 G388 F389 F392	L338-A384 HydrophobicContact CD1-CB 4.05Å; L380-A384 WeakPolarHBondContact O-CB 3.44Å; L380-A384 PolarHBondContact O-N 2.61Å; T381-A384 PolarHBondContact O-N 3.22Å; K382-A384 PolarHBondContact O-N 3.39Å; A384-L387 PolarHBondContact O-N 3.38Å; A384-G388 PolarHBondContact O-N 2.65Å; A384-F389 HydrophobicContact CB-CB 4.21Å; A384-F389 HydrophobicContact CB-CD2 4.26Å; A384-F389 HydrophobicContact CB-CG 4.37Å; A384-F389 WeakPolarHBondContact O-CD2 3.39Å; A384-F389 PolarHBondContact O-N 3.02Å; A384-F392 HydrophobicContact CB-CB 3.49Å; A384-F392 VanDerWaalsContact CB-CB 3.49Å; A384-F392 HydrophobicContact CB-CD1 4.39Å; A384-F392 HydrophobicContact CB-CD2 3.55Å; A384-F392 HydrophobicContact CB-CE2 4.41Å; A384-F392 HydrophobicContact CB-CG 3.55Å
385	R	97.3	Very high	95.7	Very high	183 Å²	183	58.1 Å²	58.1	69%	0.691	28%	0.283	S	S	*	.	H	α-helix	trans	-63	-44.5	175.7	-177.3	-178.4	64.1	175.3	0	112.2	T381 K382 C383 L387 G388	T381-R385 WeakPolarHBondContact O-CB 3.44Å; T381-R385 PolarHBondContact O-N 3.41Å; K382-R385 PolarHBondContact O-N 3.09Å; C383-R385 VanDerWaalsContact C-N 3.35Å; C383-R385 PolarHBondContact O-N 2.97Å; R385-L387 VanDerWaalsContact C-N 3.25Å; R385-L387 PolarHBondContact O-N 2.91Å; R385-G388 PolarHBondContact O-N 3.26Å; R385-G388 VanDerWaalsContact O-N 3.13Å
386	E	96.2	Very high	95.9	Very high	132 Å²	132	57.1 Å²	57.1	62%	0.617	29%	0.286	S	S	*	.	H	α-helix	trans	-65	-30.2	178.3	-73.8	170.1	178.3	0	0	112.4	K382 C383 G388	K382-E386 WeakPolarHBondContact CE-OE1 3.4Å; K382-E386 WeakPolarHBondContact CG-OE1 3.26Å; K382-E386 WeakPolarHBondContact O-CG 3.21Å; K382-E386 PolarHBondContact O-N 3.32Å; C383-E386 PolarHBondContact O-N 3.1Å; E386-G388 VanDerWaalsContact C-N 3.3Å
387	L	95.5	Very high	96	Very high	45 Å²	45	57.8 Å²	57.8	24%	0.236	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-1.3	175.4	-66.1	167.8	0	0	0	113.8	L338 R339 C383 A384 R385 F389	L338-L387 HydrophobicContact CB-CD1 3.79Å; R339-L387 HydrophobicContact CG-CD1 3.72Å; R339-L387 HydrophobicContact CG-CD2 3.82Å; R339-L387 HydrophobicContact CG-CG 4.39Å; C383-L387 WeakPolarHBondContact O-CB 3.35Å; C383-L387 WeakPolarHBondContact O-CD1 3.31Å; C383-L387 VanDerWaalsContact O-CG 3.25Å; C383-L387 WeakPolarHBondContact O-CG 3.47Å; C383-L387 PolarHBondContact O-N 3.43Å; A384-L387 PolarHBondContact O-N 3.38Å; R385-L387 VanDerWaalsContact C-N 3.25Å; R385-L387 PolarHBondContact O-N 2.91Å; L387-F389 HydrophobicContact CB-CD2 3.79Å; L387-F389 HydrophobicContact CB-CE2 3.81Å; L387-F389 HydrophobicContact CD1-CE2 4.11Å
388	G	95.5	Very high	95.7	Very high	51 Å²	51	61.3 Å²	61.3	53%	0.526	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	20.6	175.8	0	0	0	0	0	115.3	L352 A384 R385 E386	L352-G388 WeakPolarHBondContact CD1-O 3.33Å; A384-G388 PolarHBondContact O-N 2.65Å; R385-G388 PolarHBondContact O-N 3.26Å; R385-G388 VanDerWaalsContact O-N 3.13Å; E386-G388 VanDerWaalsContact C-N 3.3Å
389	F	96.8	Very high	95.5	Very high	15 Å²	15	59.8 Å²	59.8	7%	0.066	31%	0.305	C	S	.	.			trans	-61.4	134.2	173.8	-78.1	-100.2	0	0	0	110.3	L338 L341 L352 P353 V355 A384 L387 S391	L338-F389 HydrophobicContact CB-CE2 4.04Å; L338-F389 HydrophobicContact CB-CZ 4.2Å; L338-F389 HydrophobicContact CD2-CD1 4.43Å; L338-F389 HydrophobicContact CD2-CD2 4.43Å; L338-F389 HydrophobicContact CD2-CE1 3.94Å; L338-F389 HydrophobicContact CD2-CE2 3.94Å; L338-F389 HydrophobicContact CD2-CZ 3.68Å; L338-F389 WeakPolarHBondContact O-CE2 3.43Å; L338-F389 WeakPolarHBondContact O-CZ 3.47Å; L341-F389 HydrophobicContact CB-CE1 4.43Å; L341-F389 HydrophobicContact CB-CZ 3.97Å; L352-F389 HydrophobicContact CB-CD1 4.37Å; L352-F389 HydrophobicContact CD2-CE1 4.47Å; L352-F389 HydrophobicContact CD2-CZ 4.35Å; P353-F389 HydrophobicContact CG-CE1 4.18Å; P353-F389 WeakPolarHBondContact O-CD1 3.43Å; V355-F389 HydrophobicContact CG2-CD1 3.65Å; V355-F389 HydrophobicContact CG2-CE1 3.68Å; A384-F389 HydrophobicContact CB-CB 4.21Å; A384-F389 HydrophobicContact CB-CD2 4.26Å; A384-F389 HydrophobicContact CB-CG 4.37Å; A384-F389 WeakPolarHBondContact O-CD2 3.39Å; A384-F389 PolarHBondContact O-N 3.02Å; L387-F389 HydrophobicContact CB-CD2 3.79Å; L387-F389 HydrophobicContact CB-CE2 3.81Å; L387-F389 HydrophobicContact CD1-CE2 4.11Å; F389-S391 VanDerWaalsContact C-N 3.27Å; F389-S391 PolarHBondContact O-N 3.25Å
390	P	95.3	Very high	95.2	Very high	89 Å²	89	62.8 Å²	62.8	58%	0.578	32%	0.319	S	S	*	.	S	Bend	trans	-64.3	-32.2	-175.7	24.9	-34.6	0	0	0	112.7	L352 V354	L352-P390 WeakPolarHBondContact O-CG 3.5Å; V354-P390 HydrophobicContact CG2-CG 4.1Å
391	S	95.5	Very high	95	Very high	38 Å²	38	63.3 Å²	63.3	27%	0.266	32%	0.32	S	S	.	.			trans	-155.3	138.7	173.1	164.4	0	0	0	0	110.3	V355 F389	V355-S391 PolarHBondContact N-O 2.75Å; F389-S391 VanDerWaalsContact C-N 3.27Å; F389-S391 PolarHBondContact O-N 3.25Å
392	F	97.7	Very high	94.8	Very high	30 Å²	30	61.8 Å²	61.8	13%	0.132	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	116.6	170.2	-174.8	-87.1	0	0	0	109.2	L338 V355 F357 L380 A384 F394	L338-F392 HydrophobicContact CD1-CD2 4.41Å; L338-F392 HydrophobicContact CD1-CE2 4.02Å; L338-F392 HydrophobicContact CD2-CD2 4.28Å; L338-F392 HydrophobicContact CD2-CE2 4.18Å; V355-F392 HydrophobicContact CB-CD2 3.8Å; V355-F392 HydrophobicContact CB-CE2 4.29Å; V355-F392 HydrophobicContact CG1-CD2 3.72Å; V355-F392 HydrophobicContact CG1-CE2 3.68Å; V355-F392 CarbonylContact O-C 3.6Å; V355-F392 VanDerWaalsContact O-CA 3.23Å; V355-F392 WeakPolarHBondContact O-CA 3.45Å; F357-F392 HydrophobicContact CB-CE1 4.45Å; F357-F392 HydrophobicContact CB-CE2 4.25Å; F357-F392 HydrophobicContact CB-CZ 3.75Å; F357-F392 HydrophobicContact CG-CZ 4.36Å; L380-F392 HydrophobicContact CB-CE1 3.88Å; L380-F392 HydrophobicContact CB-CZ 3.69Å; L380-F392 HydrophobicContact CD1-CZ 4.49Å; A384-F392 HydrophobicContact CB-CB 3.49Å; A384-F392 VanDerWaalsContact CB-CB 3.49Å; A384-F392 HydrophobicContact CB-CD1 4.39Å; A384-F392 HydrophobicContact CB-CD2 3.55Å; A384-F392 HydrophobicContact CB-CE2 4.41Å; A384-F392 HydrophobicContact CB-CG 3.55Å; F392-F394 HydrophobicContact CE1-CB 4.07Å; F392-F394 HydrophobicContact CE1-CD2 4.47Å
393	K	97	Very high	94.6	Very high	122 Å²	122	61.8 Å²	61.8	53%	0.53	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	124.6	177.4	-65.2	-177.5	-178.8	175.4	0	110	V355 K356 F357	V355-K393 PolarHBondContact O-N 3.21Å; K356-K393 CarbonylContact C-O 3.45Å; K356-K393 WeakPolarHBondContact CA-O 2.99Å; K356-K393 HydrophobicContact CG-CB 4.5Å; F357-K393 PolarHBondContact N-O 2.92Å
394	F	96.4	Very high	94.6	Very high	34 Å²	34	61.1 Å²	61.1	15%	0.149	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	134.5	176.3	-175.2	-93.2	0	0	0	110.7	F357 A359 V373 G377 L380 F392 A396	F357-F394 HydrophobicContact CB-CD2 4.27Å; F357-F394 AromaticContact CD1-CD2 3.59Å; F357-F394 HydrophobicContact CD1-CD2 3.59Å; F357-F394 AromaticContact CD1-CE2 3.47Å; F357-F394 HydrophobicContact CD1-CE2 3.47Å; F357-F394 VanDerWaalsContact CD1-CE2 3.47Å; F357-F394 HydrophobicContact CE1-CD2 4.43Å; F357-F394 AromaticContact CE1-CE2 3.88Å; F357-F394 HydrophobicContact CE1-CE2 3.88Å; F357-F394 HydrophobicContact CG-CD2 4.28Å; F357-F394 CarbonylContact O-C 3.56Å; F357-F394 WeakPolarHBondContact O-CA 3.33Å; A359-F394 HydrophobicContact CB-CE2 4.03Å; A359-F394 HydrophobicContact CB-CZ 3.72Å; V373-F394 HydrophobicContact CG2-CE1 4.19Å; V373-F394 HydrophobicContact CG2-CZ 3.73Å; V373-F394 WeakPolarHBondContact O-CZ 3.5Å; G377-F394 VanDerWaalsContact CA-CD2 3.42Å; G377-F394 VanDerWaalsContact CA-CE2 3.43Å; G377-F394 VanDerWaalsContact CA-CG 3.49Å; L380-F394 HydrophobicContact CD1-CE2 4.43Å; F392-F394 HydrophobicContact CE1-CB 4.07Å; F392-F394 HydrophobicContact CE1-CD2 4.47Å; F394-A396 HydrophobicContact CE1-CB 4.07Å
395	H	94.8	Very high	94.4	Very high	69 Å²	69	62.9 Å²	62.9	32%	0.319	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	131.7	174.4	-55.3	92.5	0	0	0	109.2	F357 T358 A359	F357-H395 PolarHBondContact O-N 2.96Å; T358-H395 CarbonylContact C-O 3.59Å; T358-H395 VanDerWaalsContact CA-O 3.26Å; T358-H395 WeakPolarHBondContact CA-O 3.35Å; A359-H395 PolarHBondContact N-O 2.97Å
396	A	92.9	Very high	94.1	Very high	33 Å²	33	55.6 Å²	55.6	27%	0.273	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	134.4	172	0	0	0	0	0	110.1	A359 V373 E374 F394	A359-A396 WeakPolarHBondContact O-CA 3.28Å; V373-A396 HydrophobicContact CG1-CB 4.05Å; V373-A396 HydrophobicContact CG2-CB 3.95Å; E374-A396 WeakPolarHBondContact OE1-CB 3.27Å; F394-A396 HydrophobicContact CE1-CB 4.07Å
397	I	92.4	Very high	93.7	Very high	22 Å²	22	55.1 Å²	55.1	11%	0.113	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	115.8	172.5	-60.5	175.9	0	0	0	107.9	T358 A359 I360 T361 R399 V404 D408	T358-I397 HydrophobicContact CG2-CD1 3.52Å; T358-I397 HydrophobicContact CG2-CG1 3.98Å; A359-I397 PolarHBondContact O-N 3.44Å; I360-I397 WeakPolarHBondContact CA-O 3.28Å; I360-I397 HydrophobicContact CG1-CB 4.38Å; T361-I397 PolarHBondContact N-O 3.16Å; T361-I397 PolarHBondContact OG1-O 3.46Å; I397-R399 HydrophobicContact CG2-CB 4.28Å; I397-R399 HydrophobicContact CG2-CG 4.14Å; I397-V404 HydrophobicContact CD1-CG1 4.33Å; I397-V404 HydrophobicContact CG2-CG2 3.97Å; I397-D408 HydrophobicContact CD1-CB 4.08Å
398	T	90.5	Very high	93.5	Very high	77 Å²	77	54.4 Å²	54.4	47%	0.472	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	90.4	176.9	-54.5	0	0	0	0	109.9	T361 P363	T361-T398 WeakPolarHBondContact O-CA 3.28Å; T361-T398 PolarHBondContact OG1-OG1 3.33Å; P363-T398 HydrophobicContact CB-CG2 4.09Å
399	R	89.8	Confident	93.3	Very high	116 Å²	116	52 Å²	52	44%	0.438	28%	0.278	S	S	.	.	S	Bend	trans	-150.7	164.3	-179.4	-68.6	-170.7	-177.6	162.3	7	110.2	T361 P363 I397 W401 V404 D408	T361-R399 PolarHBondContact O-N 3.49Å; P363-R399 WeakPolarHBondContact CD-O 3.36Å; I397-R399 HydrophobicContact CG2-CB 4.28Å; I397-R399 HydrophobicContact CG2-CG 4.14Å; R399-W401 PolarHBondContact O-N 3.46Å; R399-V404 HydrophobicContact CB-CG2 4.13Å; R399-D408 IonicContact CZ-OD1 3.46Å; R399-D408 IonicContact NH1-OD1 2.7Å; R399-D408 PolarHBondContact NH1-OD1 2.94Å; R399-D408 IonicContact NH1-OD2 2.94Å; R399-D408 IonicContact NH2-OD1 3.87Å
400	K	89.9	Confident	92.6	Very high	99 Å²	99	57.9 Å²	57.9	43%	0.43	31%	0.305	S	S	.	.			trans	-57.8	140.8	167.4	-58	-177.4	-174.7	170.3	0	108.4	E402 D403	K400-E402 VanDerWaalsContact C-N 3.28Å; K400-E402 HydrophobicContact CB-CG 4.37Å; K400-E402 PolarHBondContact O-N 3.42Å; K400-D403 HydrophobicContact CB-CB 4.31Å; K400-D403 WeakPolarHBondContact CB-OD2 3.38Å; K400-D403 WeakPolarHBondContact O-CB 3.38Å; K400-D403 PolarHBondContact O-N 2.93Å
401	W	93	Very high	91.7	Very high	10 Å²	10	55.5 Å²	55.5	4%	0.038	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-66.9	-34.8	-170.7	-60.8	-16.5	0	0	0	112.2	Y326 I360 D362 R399 D403 V404 S430 F431 V433 L434 V450	Y326-W401 HydrophobicContact CD1-CB 3.8Å; Y326-W401 HydrophobicContact CD1-CD2 4.33Å; Y326-W401 AromaticContact CD1-CG 3.82Å; Y326-W401 HydrophobicContact CD1-CG 3.82Å; Y326-W401 HydrophobicContact CE1-CB 3.76Å; Y326-W401 HydrophobicContact CE1-CG 4.25Å; I360-W401 HydrophobicContact CG2-CG 4.49Å; D362-W401 HydrophobicContact CB-CZ2 4.09Å; R399-W401 PolarHBondContact O-N 3.46Å; W401-D403 PolarHBondContact O-N 2.94Å; W401-V404 PolarHBondContact O-N 3.15Å; W401-S430 WeakPolarHBondContact CH2-O 3.38Å; W401-S430 WeakPolarHBondContact CZ3-O 3.49Å; W401-F431 AromaticContact CE3-CD1 3.97Å; W401-F431 HydrophobicContact CE3-CD1 3.97Å; W401-F431 HydrophobicContact CE3-CE1 4.47Å; W401-F431 HydrophobicContact CZ3-CD1 4.31Å; W401-V433 HydrophobicContact CH2-CB 3.8Å; W401-V433 HydrophobicContact CH2-CG1 4.49Å; W401-V433 HydrophobicContact CH2-CG2 4.19Å; W401-V433 HydrophobicContact CZ3-CB 3.92Å; W401-L434 HydrophobicContact CB-CD2 4.23Å; W401-L434 HydrophobicContact CE3-CD1 4.23Å; W401-L434 HydrophobicContact CE3-CD2 3.86Å; W401-L434 HydrophobicContact CE3-CG 3.78Å; W401-L434 HydrophobicContact CZ3-CG 4.18Å; W401-V450 HydrophobicContact CB-CG2 4.37Å
402	E	93.2	Very high	90.4	Very high	26 Å²	26	59 Å²	59	12%	0.121	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-67.9	-14.8	173.7	65.3	-89.5	-148	0	0	113.9	K400 L434 P446 T449 V450 N453	K400-E402 VanDerWaalsContact C-N 3.28Å; K400-E402 HydrophobicContact CB-CG 4.37Å; K400-E402 PolarHBondContact O-N 3.42Å; E402-L434 VanDerWaalsContact OE2-CD2 3.27Å; E402-L434 WeakPolarHBondContact OE2-CD2 3.35Å; E402-P446 HydrophobicContact CB-CB 4.23Å; E402-P446 HydrophobicContact CG-CB 4.07Å; E402-T449 HydrophobicContact CB-CG2 4Å; E402-T449 WeakPolarHBondContact O-CG2 3.26Å; E402-V450 HydrophobicContact CB-CB 4.45Å; E402-N453 PolarHBondContact O-ND2 2.95Å
403	D	93.2	Very high	88.7	Confident	91 Å²	91	63.9 Å²	63.9	49%	0.487	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-94.1	-7.5	176.9	-64.2	-21.2	0	0	0	112.6	K400 W401	K400-D403 HydrophobicContact CB-CB 4.31Å; K400-D403 WeakPolarHBondContact CB-OD2 3.38Å; K400-D403 WeakPolarHBondContact O-CB 3.38Å; K400-D403 PolarHBondContact O-N 2.93Å; W401-D403 PolarHBondContact O-N 2.94Å
404	V	95.6	Very high	86.9	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	34%	0.344	C	S	.	.			trans	-84.3	123.3	179.8	-175.7	0	0	0	0	110.5	I360 I397 R399 W401 D408 N453 M457	I360-V404 HydrophobicContact CD1-CB 4.27Å; I360-V404 HydrophobicContact CD1-CG1 3.74Å; I360-V404 HydrophobicContact CD1-CG2 4.41Å; I360-V404 HydrophobicContact CG1-CG1 4.37Å; I360-V404 HydrophobicContact CG2-CG2 3.86Å; I397-V404 HydrophobicContact CD1-CG1 4.33Å; I397-V404 HydrophobicContact CG2-CG2 3.97Å; R399-V404 HydrophobicContact CB-CG2 4.13Å; W401-V404 PolarHBondContact O-N 3.15Å; V404-D408 HydrophobicContact CG1-CB 4.25Å; V404-N453 VanDerWaalsContact O-CB 3.32Å; V404-N453 WeakPolarHBondContact O-CB 3.34Å; V404-N453 VanDerWaalsContact O-CG 3.28Å; V404-N453 PolarHBondContact O-ND2 3.4Å; V404-M457 HydrophobicContact CG1-CE 4.06Å
405	S	94.4	Very high	84.9	Confident	38 Å²	38	67.7 Å²	67.7	27%	0.266	36%	0.355	S	S	.	.			trans	-114.4	173.6	-175.7	74.4	0	0	0	0	112.5	V407 D408	S405-V407 VanDerWaalsContact C-N 3.27Å; S405-V407 PolarHBondContact O-N 3.03Å; S405-D408 PolarHBondContact N-OD2 3.46Å; S405-D408 PolarHBondContact O-N 3.44Å; S405-D408 PolarHBondContact OG-OD2 2.97Å
406	A	90.2	Very high	83.1	Confident	31 Å²	31	70.7 Å²	70.7	26%	0.256	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-61.7	-32.5	176.6	0	0	0	0	0	113.4	D408 L409 M457	A406-D408 PolarHBondContact O-N 2.82Å; A406-L409 WeakPolarHBondContact O-CB 3.44Å; A406-L409 PolarHBondContact O-N 3Å; A406-L409 VanDerWaalsContact O-N 3.12Å; A406-M457 HydrophobicContact CB-CB 4.5Å; A406-M457 HydrophobicContact CB-CG 4Å
407	V	89.3	Confident	81.6	Confident	121 Å²	121	76.2 Å²	76.2	73%	0.733	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-65.3	-32.2	-179.9	-179.7	0	0	0	0	111.2	S405 L409 H410	S405-V407 VanDerWaalsContact C-N 3.27Å; S405-V407 PolarHBondContact O-N 3.03Å; V407-L409 PolarHBondContact O-N 2.8Å; V407-H410 PolarHBondContact O-N 3.23Å
408	D	90.9	Very high	80	Confident	31 Å²	31	83 Å²	83	17%	0.166	44%	0.436	C	S	.	.	G	3₁₀ helix	trans	-69.7	-13.7	178.7	-57	-65.6	0	0	0	112.7	I397 R399 V404 S405 A406 H410	I397-D408 HydrophobicContact CD1-CB 4.08Å; R399-D408 IonicContact CZ-OD1 3.46Å; R399-D408 IonicContact NH1-OD1 2.7Å; R399-D408 PolarHBondContact NH1-OD1 2.94Å; R399-D408 IonicContact NH1-OD2 2.94Å; R399-D408 IonicContact NH2-OD1 3.87Å; V404-D408 HydrophobicContact CG1-CB 4.25Å; S405-D408 PolarHBondContact N-OD2 3.46Å; S405-D408 PolarHBondContact O-N 3.44Å; S405-D408 PolarHBondContact OG-OD2 2.97Å; A406-D408 PolarHBondContact O-N 2.82Å; D408-H410 VanDerWaalsContact C-N 3.3Å; D408-H410 PolarHBondContact O-N 3.07Å
409	L	90.5	Very high	78.9	Confident	1 Å²	1	84.2 Å²	84.2	1%	0.005	44%	0.439	C	S	.	.	G	3₁₀ helix	trans	-80.9	-8.5	179.9	-59.1	-171.9	0	0	0	113	V324 K356 T358 A406 V407 R411 L423 M457	V324-L409 HydrophobicContact CG1-CD2 4.04Å; V324-L409 HydrophobicContact CG2-CD1 3.92Å; V324-L409 HydrophobicContact CG2-CD2 3.68Å; V324-L409 HydrophobicContact CG2-CG 4.41Å; K356-L409 WeakPolarHBondContact CE-O 3.49Å; K356-L409 PolarHBondContact NZ-O 2.69Å; T358-L409 HydrophobicContact CG2-CD2 4.27Å; A406-L409 WeakPolarHBondContact O-CB 3.44Å; A406-L409 PolarHBondContact O-N 3Å; A406-L409 VanDerWaalsContact O-N 3.12Å; V407-L409 PolarHBondContact O-N 2.8Å; L409-R411 VanDerWaalsContact C-N 3.3Å; L409-R411 HydrophobicContact CB-CG 3.93Å; L409-R411 PolarHBondContact O-N 2.83Å; L409-L423 HydrophobicContact CD1-CD1 4.36Å; L409-L423 HydrophobicContact CD1-CD2 4.23Å; L409-M457 HydrophobicContact CD1-CB 4.21Å; L409-M457 HydrophobicContact CD1-CE 4.28Å; L409-M457 HydrophobicContact CD1-CG 3.74Å; L409-M457 HydrophobicContact CD1-SD 3.84Å; L409-M457 HydrophobicContact CD2-CE 4.5Å; L409-M457 HydrophobicContact CG-CE 4.45Å
410	H	81.6	Confident	78.5	Confident	137 Å²	137	82.5 Å²	82.5	63%	0.634	43%	0.432	S	S	*	.			trans	46.6	52.4	-178.9	-58.8	-64.9	0	0	0	112.3	K356 V407 D408	K356-H410 PolarHBondContact NZ-O 3.39Å; V407-H410 PolarHBondContact O-N 3.23Å; D408-H410 VanDerWaalsContact C-N 3.3Å; D408-H410 PolarHBondContact O-N 3.07Å
411	R	78.2	Confident	78.6	Confident	40 Å²	40	78.5 Å²	78.5	15%	0.151	42%	0.415	C	S	.	.			trans	-74.8	143.4	177.6	-59.4	179.1	49.9	85.5	-8.3	108.8	L409 D413 E421	L409-R411 VanDerWaalsContact C-N 3.3Å; L409-R411 HydrophobicContact CB-CG 3.93Å; L409-R411 PolarHBondContact O-N 2.83Å; R411-D413 PolarHBondContact O-N 2.83Å; R411-E421 WeakPolarHBondContact CG-OE1 3.35Å; R411-E421 IonicContact CZ-OE1 2.83Å; R411-E421 IonicContact NE-OE1 3.68Å; R411-E421 IonicContact NH1-OE1 3.26Å; R411-E421 PolarHBondContact NH1-OE1 3.22Å
412	N	67.9	Low	78.6	Confident	110 Å²	110	78 Å²	78	59%	0.588	41%	0.414	S	S	*	.			trans	-80.5	94.9	165.8	-69.1	-11.6	0	0	0	106	D414 D415	N412-D414 PolarHBondContact O-N 3.19Å; N412-D415 WeakPolarHBondContact CB-OD2 3.32Å
413	D	62	Low	78.8	Confident	133 Å²	133	76.8 Å²	76.8	71%	0.711	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-5.3	178.9	-65.9	-35.1	0	0	0	112.1	R411	R411-D413 PolarHBondContact O-N 2.83Å
414	D	58.8	Low	79	Confident	163 Å²	163	72.5 Å²	72.5	87%	0.872	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-5.2	-178.1	-61.8	-41.1	0	0	0	114.2	N412	N412-D414 PolarHBondContact O-N 3.19Å
415	D	54.4	Low	79.2	Confident	73 Å²	73	72.5 Å²	72.5	39%	0.39	39%	0.385	S	S	.	.	S	Bend	trans	-75.2	130.9	-178.1	-67.1	-31.5	0	0	0	110.5	N412	N412-D415 WeakPolarHBondContact CB-OD2 3.32Å
416	D	56.3	Low	79.3	Confident	133 Å²	133	70.7 Å²	70.7	71%	0.711	37%	0.372	S	S	*	.			trans	-50.5	147.5	172.2	-73.2	-53	0	0	0	111	D418 D419 R420	D416-D418 PolarHBondContact O-N 3.46Å; D416-D419 PolarHBondContact O-N 3.3Å; D416-R420 PolarHBondContact O-N 3.34Å; D416-R420 VanDerWaalsContact O-N 3.16Å
417	D	61.8	Low	79.7	Confident	149 Å²	149	69.3 Å²	69.3	80%	0.797	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-33.3	-173.9	-87.5	-32.6	0	0	0	113.8	R420	D417-R420 WeakPolarHBondContact O-CB 2.86Å
418	D	58.5	Low	80	Confident	165 Å²	165	63.9 Å²	63.9	88%	0.882	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-26.2	-179.1	-77.4	-28.5	0	0	0	113.4	D416	D416-D418 PolarHBondContact O-N 3.46Å
419	D	68.1	Low	80.2	Confident	101 Å²	101	64.1 Å²	64.1	54%	0.54	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	4.9	178.8	-77.6	-41	0	0	0	112.9	D416 E421	D416-D419 PolarHBondContact O-N 3.3Å; D419-E421 PolarHBondContact O-N 2.84Å
420	R	82	Confident	80.3	Confident	80 Å²	80	64.7 Å²	64.7	30%	0.302	33%	0.331	S	S	.	.			trans	-56.7	129.5	178.9	-177.9	-178.2	167.9	-79.2	-1	111.4	D416 D417 V422 R458 D460	D416-R420 PolarHBondContact O-N 3.34Å; D416-R420 VanDerWaalsContact O-N 3.16Å; D417-R420 WeakPolarHBondContact O-CB 2.86Å; R420-V422 PolarHBondContact O-N 2.92Å; R420-R458 PolarHBondContact NH2-O 3.04Å; R420-D460 IonicContact CZ-OD2 3.86Å; R420-D460 VanDerWaalsContact NH1-CG 3.33Å; R420-D460 IonicContact NH1-OD1 2.98Å; R420-D460 PolarHBondContact NH1-OD1 3.32Å; R420-D460 IonicContact NH1-OD2 3.95Å; R420-D460 PolarHBondContact NH1-OD2 3.03Å; R420-D460 IonicContact NH2-OD2 3.97Å; R420-D460 PolarHBondContact NH2-OD2 2.76Å
421	E	90.1	Very high	81	Confident	15 Å²	15	58.1 Å²	58.1	7%	0.07	30%	0.301	C	S	.	.			trans	-58.8	133.2	173.8	65.2	175	-165.7	0	0	112.3	S320 H322 R411 D419 L423	S320-E421 WeakPolarHBondContact OG-CB 3.48Å; H322-E421 HydrophobicContact CB-CG 4.46Å; H322-E421 IonicContact CG-OE2 3.87Å; H322-E421 IonicContact ND1-OE1 2.65Å; H322-E421 PolarHBondContact ND1-OE1 3.35Å; H322-E421 IonicContact ND1-OE2 2.74Å; R411-E421 WeakPolarHBondContact CG-OE1 3.35Å; R411-E421 IonicContact CZ-OE1 2.83Å; R411-E421 IonicContact NE-OE1 3.68Å; R411-E421 IonicContact NH1-OE1 3.26Å; R411-E421 PolarHBondContact NH1-OE1 3.22Å; D419-E421 PolarHBondContact O-N 2.84Å; E421-L423 PolarHBondContact O-N 2.47Å
422	V	94.4	Very high	81.6	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.006	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	115.1	170.8	-179.7	0	0	0	0	108.7	A313 M314 K318 S320 L321 H322 R420 V424 D460	A313-V422 HydrophobicContact CB-CG1 4.08Å; M314-V422 HydrophobicContact CE-CG2 4.45Å; M314-V422 HydrophobicContact SD-CB 3.6Å; M314-V422 HydrophobicContact SD-CG1 3.89Å; M314-V422 HydrophobicContact SD-CG2 3.56Å; M314-V422 VanDerWaalsContact SD-CG2 3.56Å; K318-V422 HydrophobicContact CB-CG2 3.91Å; K318-V422 HydrophobicContact CD-CG2 3.1Å; K318-V422 HydrophobicContact CG-CG2 4.15Å; S320-V422 PolarHBondContact O-N 2.9Å; L321-V422 HydrophobicContact CD1-CB 4.34Å; L321-V422 HydrophobicContact CD1-CG1 4.32Å; H322-V422 PolarHBondContact N-O 2.94Å; R420-V422 PolarHBondContact O-N 2.92Å; V422-V424 HydrophobicContact CG1-CG2 4.36Å; V422-D460 HydrophobicContact CG1-CB 3.99Å
423	L	95.9	Very high	82.7	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	118.6	178.6	-176.5	64.1	0	0	0	111	H322 V324 L409 E421 V425 M457 P459 D460 V461	H322-L423 HydrophobicContact CB-CD1 4.06Å; H322-L423 WeakPolarHBondContact O-CA 3.32Å; V324-L423 HydrophobicContact CG2-CD1 3.73Å; L409-L423 HydrophobicContact CD1-CD1 4.36Å; L409-L423 HydrophobicContact CD1-CD2 4.23Å; E421-L423 PolarHBondContact O-N 2.47Å; L423-V425 HydrophobicContact CG-CG2 4.44Å; L423-M457 HydrophobicContact CD2-CB 4.16Å; L423-M457 VanDerWaalsContact CD2-O 3.25Å; L423-M457 WeakPolarHBondContact CD2-O 3.19Å; L423-P459 HydrophobicContact CD2-CB 4.25Å; L423-P459 HydrophobicContact CG-CB 4.18Å; L423-P459 CarbonylContact O-C 3.55Å; L423-D460 PolarHBondContact N-OD2 3.44Å; L423-D460 PolarHBondContact O-N 2.99Å; L423-V461 PolarHBondContact O-N 2.96Å
424	V	98.5	Very high	84.1	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	121.2	170.9	178.7	0	0	0	0	108.7	I310 L321 H322 I323 V324 V422 V461 I463	I310-V424 HydrophobicContact CD1-CG1 4.04Å; I310-V424 HydrophobicContact CG1-CG1 3.87Å; I310-V424 HydrophobicContact CG1-CG2 4.13Å; I310-V424 HydrophobicContact CG2-CG2 4.33Å; L321-V424 HydrophobicContact CD1-CG2 3.92Å; H322-V424 PolarHBondContact O-N 2.9Å; I323-V424 CarbonylContact C-O 3.6Å; I323-V424 WeakPolarHBondContact CA-O 3.44Å; V324-V424 PolarHBondContact N-O 2.9Å; V422-V424 HydrophobicContact CG1-CG2 4.36Å; V424-V461 WeakPolarHBondContact CA-O 3.37Å; V424-I463 HydrophobicContact CG1-CD1 3.91Å; V424-I463 HydrophobicContact CG1-CG1 4.35Å
425	V	98.6	Very high	85.5	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	135.8	167.3	178.5	0	0	0	0	108.4	V324 Y326 L423 V454 M457 P459 V461 F462 I463	V324-V425 HydrophobicContact CB-CG2 4.13Å; V324-V425 CarbonylContact O-C 3.54Å; V324-V425 WeakPolarHBondContact O-CA 3.43Å; Y326-V425 HydrophobicContact CD2-CG1 3.99Å; Y326-V425 HydrophobicContact CE2-CG1 3.74Å; L423-V425 HydrophobicContact CG-CG2 4.44Å; V425-V454 HydrophobicContact CB-CG1 4.35Å; V425-V454 HydrophobicContact CG1-CG1 4.1Å; V425-V454 HydrophobicContact CG1-CG2 3.98Å; V425-M457 HydrophobicContact CG2-SD 4.12Å; V425-P459 HydrophobicContact CB-CB 4.25Å; V425-P459 HydrophobicContact CB-CG 4.46Å; V425-P459 HydrophobicContact CG2-CB 3.83Å; V425-P459 HydrophobicContact CG2-CG 4.19Å; V425-V461 PolarHBondContact N-O 3.31Å; V425-F462 HydrophobicContact CB-CD2 4.02Å; V425-F462 HydrophobicContact CG1-CD2 3.79Å; V425-F462 HydrophobicContact CG1-CE2 4.2Å; V425-F462 CarbonylContact O-C 3.55Å; V425-F462 VanDerWaalsContact O-CA 3.29Å; V425-F462 WeakPolarHBondContact O-CA 3.36Å; V425-F462 WeakPolarHBondContact O-CD2 3.48Å; V425-I463 PolarHBondContact O-N 3.37Å
426	S	98.5	Very high	86.8	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	125.8	-173.3	177.1	0	0	0	0	111.1	V324 Y326 L428	V324-S426 PolarHBondContact O-N 3.07Å; Y326-S426 PolarHBondContact N-O 3.46Å; S426-L428 WeakPolarHBondContact OG-CD1 3.33Å; S426-L428 WeakPolarHBondContact OG-CG 3.26Å
427	D	97.5	Very high	88	Confident	2 Å²	2	39.1 Å²	39.1	1%	0.011	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	113.5	166.9	165.6	40.7	0	0	0	109.1	S430 F431 F462 I463 Q464 S465	D427-S430 WeakPolarHBondContact OD1-CA 3.22Å; D427-S430 VanDerWaalsContact OD1-CB 3.26Å; D427-S430 WeakPolarHBondContact OD1-CB 3.39Å; D427-S430 PolarHBondContact OD1-N 2.83Å; D427-F431 HydrophobicContact CB-CD1 4.15Å; D427-F431 HydrophobicContact CB-CD2 4Å; D427-F431 HydrophobicContact CB-CE1 4.14Å; D427-F431 HydrophobicContact CB-CE2 3.97Å; D427-F431 HydrophobicContact CB-CG 4.09Å; D427-F431 HydrophobicContact CB-CZ 4.05Å; D427-F431 PolarHBondContact OD1-N 2.96Å; D427-F431 WeakPolarHBondContact OD2-CB 3.36Å; D427-F431 VanDerWaalsContact OD2-CD2 3.27Å; D427-F431 WeakPolarHBondContact OD2-CD2 3.5Å; D427-F431 VanDerWaalsContact OD2-CG 3.23Å; D427-F431 WeakPolarHBondContact OD2-CG 3.41Å; D427-F462 HydrophobicContact CB-CE2 3.97Å; D427-F462 HydrophobicContact CB-CZ 4.26Å; D427-I463 PolarHBondContact N-O 3.27Å; D427-Q464 HydrophobicContact CB-CG 4.37Å; D427-Q464 CarbonylContact O-C 3.43Å; D427-Q464 WeakPolarHBondContact O-CA 3.48Å; D427-Q464 WeakPolarHBondContact OD2-CG 3.2Å; D427-S465 PolarHBondContact O-N 3.38Å
428	L	95.8	Very high	88.6	Confident	8 Å²	8	33.6 Å²	33.6	4%	0.042	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	74.9	-175.8	-55.3	173.6	0	0	0	109.8	T302 W334 S426 S430 I463 S465	T302-L428 HydrophobicContact CG2-CD2 3.97Å; W334-L428 HydrophobicContact CZ2-CD1 4.39Å; S426-L428 WeakPolarHBondContact OG-CD1 3.33Å; S426-L428 WeakPolarHBondContact OG-CG 3.26Å; L428-S430 VanDerWaalsContact C-N 3.29Å; L428-I463 HydrophobicContact CD2-CG2 4.18Å; L428-S465 VanDerWaalsContact CD2-OG 3.32Å; L428-S465 WeakPolarHBondContact CD2-OG 3.49Å
429	F	94.2	Very high	89.1	Confident	36 Å²	36	31.5 Å²	31.5	16%	0.158	16%	0.163	C	C	.	.	S	Bend	trans	72.1	15.8	-175.9	-43.2	-76.4	0	0	0	114.5	T302 S432 S465 V466 T590 H592	T302-F429 HydrophobicContact CG2-CE2 3.98Å; F429-S432 PolarHBondContact O-OG 2.74Å; F429-S432 VanDerWaalsContact O-OG 3.13Å; F429-S465 WeakPolarHBondContact CA-O 3.46Å; F429-S465 WeakPolarHBondContact CD1-O 3.26Å; F429-S465 PolarHBondContact N-O 3Å; F429-V466 WeakPolarHBondContact CE1-O 3.2Å; F429-T590 HydrophobicContact CE1-CG2 3.78Å; F429-T590 HydrophobicContact CZ-CG2 4.12Å; F429-H592 AromaticContact CZ-CE1 3.9Å
430	S	93.7	Very high	89.2	Confident	12 Å²	12	33.8 Å²	33.8	8%	0.084	17%	0.168	C	C	.	.			trans	-81.6	-48.3	-177.7	-64.6	0	0	0	0	110	Y326 G327 W401 D427 L428 S432 V433	Y326-S430 VanDerWaalsContact O-CB 3.26Å; Y326-S430 WeakPolarHBondContact O-CB 3.37Å; Y326-S430 PolarHBondContact O-OG 3.29Å; G327-S430 WeakPolarHBondContact CA-OG 3.4Å; W401-S430 WeakPolarHBondContact CH2-O 3.38Å; W401-S430 WeakPolarHBondContact CZ3-O 3.49Å; D427-S430 WeakPolarHBondContact OD1-CA 3.22Å; D427-S430 VanDerWaalsContact OD1-CB 3.26Å; D427-S430 WeakPolarHBondContact OD1-CB 3.39Å; D427-S430 PolarHBondContact OD1-N 2.83Å; L428-S430 VanDerWaalsContact C-N 3.29Å; S430-S432 PolarHBondContact O-N 3.37Å; S430-V433 WeakPolarHBondContact O-CB 3.42Å; S430-V433 WeakPolarHBondContact O-CG2 3.39Å; S430-V433 PolarHBondContact O-N 2.87Å
431	F	95.2	Very high	88.5	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-59.5	-14.8	-172.6	-71.9	-2.3	0	0	0	115.5	Y326 W401 D427 V433 L434 V450 L451 V454 F462 W537	Y326-F431 AromaticContact CD1-CE1 3.67Å; Y326-F431 HydrophobicContact CD1-CE1 3.67Å; Y326-F431 HydrophobicContact CD1-CZ 4.34Å; Y326-F431 AromaticContact CD2-CE1 3.97Å; Y326-F431 HydrophobicContact CD2-CE1 3.97Å; Y326-F431 AromaticContact CD2-CZ 3.99Å; Y326-F431 HydrophobicContact CD2-CZ 3.99Å; Y326-F431 HydrophobicContact CE1-CE1 4.17Å; Y326-F431 HydrophobicContact CE2-CE1 4.45Å; Y326-F431 HydrophobicContact CE2-CZ 4.21Å; Y326-F431 AromaticContact CG-CE1 3.53Å; Y326-F431 HydrophobicContact CG-CE1 3.53Å; Y326-F431 HydrophobicContact CG-CZ 4.05Å; W401-F431 AromaticContact CE3-CD1 3.97Å; W401-F431 HydrophobicContact CE3-CD1 3.97Å; W401-F431 HydrophobicContact CE3-CE1 4.47Å; W401-F431 HydrophobicContact CZ3-CD1 4.31Å; D427-F431 HydrophobicContact CB-CD1 4.15Å; D427-F431 HydrophobicContact CB-CD2 4Å; D427-F431 HydrophobicContact CB-CE1 4.14Å; D427-F431 HydrophobicContact CB-CE2 3.97Å; D427-F431 HydrophobicContact CB-CG 4.09Å; D427-F431 HydrophobicContact CB-CZ 4.05Å; D427-F431 PolarHBondContact OD1-N 2.96Å; D427-F431 WeakPolarHBondContact OD2-CB 3.36Å; D427-F431 VanDerWaalsContact OD2-CD2 3.27Å; D427-F431 WeakPolarHBondContact OD2-CD2 3.5Å; D427-F431 VanDerWaalsContact OD2-CG 3.23Å; D427-F431 WeakPolarHBondContact OD2-CG 3.41Å; F431-V433 PolarHBondContact O-N 3.04Å; F431-V433 VanDerWaalsContact O-N 3.14Å; F431-L434 HydrophobicContact CB-CD1 4.06Å; F431-L434 HydrophobicContact CD1-CD1 4.03Å; F431-L434 HydrophobicContact CG-CD1 4.05Å; F431-L434 WeakPolarHBondContact O-CB 3.38Å; F431-L434 PolarHBondContact O-N 3.14Å; F431-L434 VanDerWaalsContact O-N 3.14Å; F431-V450 HydrophobicContact CD2-CG1 4.18Å; F431-V450 HydrophobicContact CE1-CG1 4.28Å; F431-V450 HydrophobicContact CE1-CG2 3.87Å; F431-V450 HydrophobicContact CE2-CG1 3.9Å; F431-V450 HydrophobicContact CE2-CG2 4.36Å; F431-V450 HydrophobicContact CZ-CB 4.48Å; F431-V450 HydrophobicContact CZ-CG1 3.95Å; F431-V450 HydrophobicContact CZ-CG2 3.63Å; F431-L451 HydrophobicContact CD2-CD2 4.37Å; F431-L451 HydrophobicContact CE2-CD2 3.97Å; F431-V454 HydrophobicContact CZ-CG2 4.44Å; F431-F462 HydrophobicContact CE2-CE2 4.3Å; F431-F462 AromaticContact CE2-CZ 3.87Å; F431-F462 HydrophobicContact CE2-CZ 3.87Å; F431-W537 HydrophobicContact CB-CH2 3.58Å; F431-W537 HydrophobicContact CB-CZ2 3.97Å; F431-W537 HydrophobicContact CB-CZ3 4.3Å; F431-W537 HydrophobicContact CD2-CH2 4.32Å; F431-W537 HydrophobicContact CD2-CZ3 4.23Å; F431-W537 HydrophobicContact CG-CH2 4.44Å
432	S	92	Very high	87.8	Confident	7 Å²	7	46 Å²	46	5%	0.049	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-62.6	-13.7	168.8	61.8	0	0	0	0	113.8	F429 S430 Q529 R530	F429-S432 PolarHBondContact O-OG 2.74Å; F429-S432 VanDerWaalsContact O-OG 3.13Å; S430-S432 PolarHBondContact O-N 3.37Å; S432-Q529 PolarHBondContact OG-OE1 3.42Å; S432-R530 CarbonylContact O-C 3.52Å; S432-R530 WeakPolarHBondContact O-CA 3.39Å; S432-R530 WeakPolarHBondContact O-CB 3.39Å; S432-R530 PolarHBondContact O-N 3.22Å
433	V	90.5	Very high	87.1	Confident	26 Å²	26	48.5 Å²	48.5	16%	0.158	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-85.6	-13.2	176.9	-174.5	0	0	0	0	112.8	R364 W401 S430 F431 V528 R530	R364-V433 PolarHBondContact NH1-O 2.78Å; R364-V433 PolarHBondContact NH2-O 2.89Å; W401-V433 HydrophobicContact CH2-CB 3.8Å; W401-V433 HydrophobicContact CH2-CG1 4.49Å; W401-V433 HydrophobicContact CH2-CG2 4.19Å; W401-V433 HydrophobicContact CZ3-CB 3.92Å; S430-V433 WeakPolarHBondContact O-CB 3.42Å; S430-V433 WeakPolarHBondContact O-CG2 3.39Å; S430-V433 PolarHBondContact O-N 2.87Å; F431-V433 PolarHBondContact O-N 3.04Å; F431-V433 VanDerWaalsContact O-N 3.14Å; V433-V528 WeakPolarHBondContact CA-O 3.49Å; V433-V528 HydrophobicContact CG1-CG1 4.15Å; V433-V528 HydrophobicContact CG2-CG1 4.05Å; V433-R530 PolarHBondContact O-NH1 2.7Å
434	L	91.4	Very high	86.6	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.276	C	S	.	.	S	Bend	trans	-66.7	145.3	174.9	-68.7	166.7	0	0	0	110.8	W401 E402 F431 P446 R447 V450	W401-L434 HydrophobicContact CB-CD2 4.23Å; W401-L434 HydrophobicContact CE3-CD1 4.23Å; W401-L434 HydrophobicContact CE3-CD2 3.86Å; W401-L434 HydrophobicContact CE3-CG 3.78Å; W401-L434 HydrophobicContact CZ3-CG 4.18Å; E402-L434 VanDerWaalsContact OE2-CD2 3.27Å; E402-L434 WeakPolarHBondContact OE2-CD2 3.35Å; F431-L434 HydrophobicContact CB-CD1 4.06Å; F431-L434 HydrophobicContact CD1-CD1 4.03Å; F431-L434 HydrophobicContact CG-CD1 4.05Å; F431-L434 WeakPolarHBondContact O-CB 3.38Å; F431-L434 PolarHBondContact O-N 3.14Å; F431-L434 VanDerWaalsContact O-N 3.14Å; L434-P446 HydrophobicContact CD2-CB 4.26Å; L434-R447 HydrophobicContact CB-CG 3.83Å; L434-R447 HydrophobicContact CD1-CG 4.23Å; L434-R447 PolarHBondContact O-NH2 3.35Å; L434-V450 HydrophobicContact CD1-CB 4.26Å; L434-V450 HydrophobicContact CD1-CG1 3.45Å; L434-V450 VanDerWaalsContact CD1-CG1 3.45Å
435	M	88.7	Confident	86.3	Confident	41 Å²	41	52.9 Å²	52.9	20%	0.202	28%	0.278	C	S	.	.			trans	-58.5	144.7	169.4	-61.2	-62.2	-66.8	0	0	109.2	P446 R447 M525 R530	M435-P446 HydrophobicContact CB-CG 4.13Å; M435-R447 PolarHBondContact O-NE 2.77Å; M435-M525 HydrophobicContact CE-SD 4.21Å; M435-M525 HydrophobicContact SD-SD 3.98Å; M435-R530 PolarHBondContact SD-NH2 3.26Å
436	E	82.2	Confident	86	Confident	65 Å²	65	53.6 Å²	53.6	30%	0.304	28%	0.282	S	S	.	.	S	Bend	trans	-70.3	-54.9	178.9	-176.7	170.5	-151.4	0	0	110.2	S445	E436-S445 WeakPolarHBondContact O-CB 3.15Å; E436-S445 PolarHBondContact O-OG 3.37Å
437	E	80.7	Confident	85.8	Confident	114 Å²	114	53.6 Å²	53.6	53%	0.533	28%	0.282	S	S	.	.	S	Bend	trans	-118.5	159.8	176.5	-66.2	-51.9	141	0	0	112
438	S	73.6	Confident	85.7	Confident	32 Å²	32	55.7 Å²	55.7	22%	0.224	29%	0.293	C	S	.	.			trans	-71.3	148.3	170.3	171.6	0	0	0	0	110.5	F440 S443	S438-F440 WeakPolarHBondContact CB-O 3.29Å; S438-F440 PolarHBondContact O-N 2.65Å; S438-F440 PolarHBondContact OG-N 2.87Å; S438-F440 PolarHBondContact OG-O 2.97Å; S438-S443 WeakPolarHBondContact CB-O 3.2Å; S438-S443 WeakPolarHBondContact OG-CB 3.37Å
439	V	68.9	Low	85.7	Confident	121 Å²	121	57 Å²	57	73%	0.733	30%	0.301	S	S	*	.	S	Bend	trans	-68.1	-22.8	169.8	-176.6	0	0	0	0	111.2
440	F	70	Confident	85.8	Confident	149 Å²	149	55.2 Å²	55.2	65%	0.654	29%	0.294	S	S	*	.	S	Bend	trans	-104.6	124	178.2	-54.4	-77.2	0	0	0	110.2	S438 D442 S443	S438-F440 WeakPolarHBondContact CB-O 3.29Å; S438-F440 PolarHBondContact O-N 2.65Å; S438-F440 PolarHBondContact OG-N 2.87Å; S438-F440 PolarHBondContact OG-O 2.97Å; F440-D442 VanDerWaalsContact C-N 3.27Å; F440-D442 PolarHBondContact O-N 2.95Å; F440-S443 PolarHBondContact O-N 2.98Å
441	F	68.9	Low	86	Confident	186 Å²	186	54.7 Å²	54.7	82%	0.816	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-38.4	-177.8	-71	-81.3	0	0	0	113.8	Y53 S443	Y53-F441 HydrophobicContact CE2-CZ 4.39Å; F441-S443 VanDerWaalsContact C-N 3.3Å; F441-S443 PolarHBondContact O-N 2.94Å
442	D	74.9	Confident	86.1	Confident	166 Å²	166	55.3 Å²	55.3	89%	0.888	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-1.3	-178.4	-60	-40.2	0	0	0	113.6	F440	F440-D442 VanDerWaalsContact C-N 3.27Å; F440-D442 PolarHBondContact O-N 2.95Å
443	S	79.2	Confident	86.3	Confident	54 Å²	54	55.6 Å²	55.6	38%	0.378	30%	0.298	S	S	.	.	S	Bend	trans	-100.4	135.8	-178.8	-67.4	0	0	0	0	110.8	S438 F440 F441	S438-S443 WeakPolarHBondContact CB-O 3.2Å; S438-S443 WeakPolarHBondContact OG-CB 3.37Å; F440-S443 PolarHBondContact O-N 2.98Å; F441-S443 VanDerWaalsContact C-N 3.3Å; F441-S443 PolarHBondContact O-N 2.94Å
444	P	86.1	Confident	86.7	Confident	88 Å²	88	54.3 Å²	54.3	57%	0.571	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-62.2	149.3	-179.4	26.2	-34.2	0	0	0	111.1	T449	P444-T449 WeakPolarHBondContact CG-OG1 3.35Å
445	S	91.7	Very high	86.9	Confident	4 Å²	4	58.2 Å²	58.2	3%	0.028	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-49.6	136.1	168.2	167.3	0	0	0	0	110.4	E436 R447 D448 T449	E436-S445 WeakPolarHBondContact O-CB 3.15Å; E436-S445 PolarHBondContact O-OG 3.37Å; S445-R447 PolarHBondContact O-N 3.45Å; S445-R447 PolarHBondContact OG-N 3.02Å; S445-D448 PolarHBondContact O-N 3.47Å; S445-D448 VanDerWaalsContact O-N 3.09Å; S445-T449 PolarHBondContact O-N 3.41Å; S445-T449 PolarHBondContact O-OG1 2.66Å
446	P	93.2	Very high	87.2	Confident	15 Å²	15	63.5 Å²	63.5	10%	0.097	32%	0.322	C	S	.	.	H	α-helix	trans	-56.4	-29.6	173.8	-32.4	41.7	0	0	0	113.7	E402 L434 M435 V450	E402-P446 HydrophobicContact CB-CB 4.23Å; E402-P446 HydrophobicContact CG-CB 4.07Å; L434-P446 HydrophobicContact CD2-CB 4.26Å; M435-P446 HydrophobicContact CB-CG 4.13Å; P446-V450 PolarHBondContact O-N 3.38Å
447	R	94.5	Very high	87.8	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-66.9	-46.6	174.8	-65.7	174.8	-172.5	-160.7	-10.1	111.6	L434 M435 S445 T449 V450 L451 R530 E532 W537	L434-R447 HydrophobicContact CB-CG 3.83Å; L434-R447 HydrophobicContact CD1-CG 4.23Å; L434-R447 PolarHBondContact O-NH2 3.35Å; M435-R447 PolarHBondContact O-NE 2.77Å; S445-R447 PolarHBondContact O-N 3.45Å; S445-R447 PolarHBondContact OG-N 3.02Å; R447-T449 VanDerWaalsContact C-N 3.3Å; R447-T449 PolarHBondContact O-N 2.85Å; R447-V450 VanDerWaalsContact O-CG1 3.24Å; R447-V450 WeakPolarHBondContact O-CG1 3.29Å; R447-V450 PolarHBondContact O-N 3.47Å; R447-L451 VanDerWaalsContact O-CG 3.27Å; R447-L451 WeakPolarHBondContact O-CG 3.25Å; R447-L451 PolarHBondContact O-N 3.11Å; R447-L451 VanDerWaalsContact O-N 3.08Å; R447-R530 PolarHBondContact NH1-O 2.83Å; R447-R530 PolarHBondContact NH2-O 2.9Å; R447-E532 IonicContact CZ-OE1 2.7Å; R447-E532 VanDerWaalsContact NH1-CG 3.25Å; R447-E532 IonicContact NH1-OE1 3.79Å; R447-E532 PolarHBondContact NH1-OE1 3.17Å; R447-W537 HydrophobicContact CB-CH2 4.4Å; R447-W537 HydrophobicContact CG-CH2 4.08Å
448	D	94.8	Very high	88.4	Confident	45 Å²	45	62.4 Å²	62.4	24%	0.241	31%	0.311	C	S	.	.	H	α-helix	trans	-69.4	-35.1	179.3	-66.4	-12.9	0	0	0	110.8	S445 L451 G452 R540	S445-D448 PolarHBondContact O-N 3.47Å; S445-D448 VanDerWaalsContact O-N 3.09Å; D448-L451 PolarHBondContact O-N 2.84Å; D448-G452 PolarHBondContact O-N 3.29Å; D448-R540 VanDerWaalsContact CG-NH1 3.31Å; D448-R540 IonicContact OD1-CZ 3.27Å; D448-R540 IonicContact OD1-NH1 3.51Å; D448-R540 PolarHBondContact OD1-NH1 2.92Å; D448-R540 IonicContact OD2-NH1 3.36Å; D448-R540 PolarHBondContact OD2-NH1 3.25Å
449	T	95.7	Very high	89.5	Confident	35 Å²	35	61 Å²	61	22%	0.215	30%	0.301	C	S	.	.	H	α-helix	trans	-63	-49.9	175.2	-55.8	0	0	0	0	111.8	E402 P444 S445 R447 L451 G452 N453	E402-T449 HydrophobicContact CB-CG2 4Å; E402-T449 WeakPolarHBondContact O-CG2 3.26Å; P444-T449 WeakPolarHBondContact CG-OG1 3.35Å; S445-T449 PolarHBondContact O-N 3.41Å; S445-T449 PolarHBondContact O-OG1 2.66Å; R447-T449 VanDerWaalsContact C-N 3.3Å; R447-T449 PolarHBondContact O-N 2.85Å; T449-L451 VanDerWaalsContact C-N 3.34Å; T449-L451 PolarHBondContact O-N 2.94Å; T449-G452 PolarHBondContact O-N 2.89Å; T449-N453 PolarHBondContact O-N 3.24Å
450	V	96.6	Very high	90.8	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-63.9	-40.3	179	74.5	0	0	0	0	111.2	Y326 W401 E402 F431 L434 P446 R447 G452 N453 V454	Y326-V450 HydrophobicContact CE1-CG2 3.89Å; W401-V450 HydrophobicContact CB-CG2 4.37Å; E402-V450 HydrophobicContact CB-CB 4.45Å; F431-V450 HydrophobicContact CD2-CG1 4.18Å; F431-V450 HydrophobicContact CE1-CG1 4.28Å; F431-V450 HydrophobicContact CE1-CG2 3.87Å; F431-V450 HydrophobicContact CE2-CG1 3.9Å; F431-V450 HydrophobicContact CE2-CG2 4.36Å; F431-V450 HydrophobicContact CZ-CB 4.48Å; F431-V450 HydrophobicContact CZ-CG1 3.95Å; F431-V450 HydrophobicContact CZ-CG2 3.63Å; L434-V450 HydrophobicContact CD1-CB 4.26Å; L434-V450 HydrophobicContact CD1-CG1 3.45Å; L434-V450 VanDerWaalsContact CD1-CG1 3.45Å; P446-V450 PolarHBondContact O-N 3.38Å; R447-V450 VanDerWaalsContact O-CG1 3.24Å; R447-V450 WeakPolarHBondContact O-CG1 3.29Å; R447-V450 PolarHBondContact O-N 3.47Å; V450-G452 VanDerWaalsContact C-N 3.33Å; V450-G452 PolarHBondContact O-N 2.75Å; V450-N453 WeakPolarHBondContact O-CB 2.91Å; V450-N453 PolarHBondContact O-N 3.22Å; V450-N453 VanDerWaalsContact O-N 3.13Å; V450-V454 WeakPolarHBondContact O-CG2 3.03Å; V450-V454 PolarHBondContact O-N 3.47Å
451	L	97.5	Very high	92.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-66.3	-37.5	177.5	-68.4	177.3	0	0	0	111.5	F431 R447 D448 T449 N453 V454 R455 F462 W537 R540 N541 A544 L546	F431-L451 HydrophobicContact CD2-CD2 4.37Å; F431-L451 HydrophobicContact CE2-CD2 3.97Å; R447-L451 VanDerWaalsContact O-CG 3.27Å; R447-L451 WeakPolarHBondContact O-CG 3.25Å; R447-L451 PolarHBondContact O-N 3.11Å; R447-L451 VanDerWaalsContact O-N 3.08Å; D448-L451 PolarHBondContact O-N 2.84Å; T449-L451 VanDerWaalsContact C-N 3.34Å; T449-L451 PolarHBondContact O-N 2.94Å; L451-N453 VanDerWaalsContact C-N 3.33Å; L451-N453 PolarHBondContact O-N 2.68Å; L451-V454 PolarHBondContact O-N 3.05Å; L451-R455 PolarHBondContact O-N 3.24Å; L451-F462 HydrophobicContact CD2-CE1 4.04Å; L451-F462 HydrophobicContact CD2-CZ 4.24Å; L451-W537 HydrophobicContact CD1-CE3 4.35Å; L451-W537 HydrophobicContact CD1-CZ3 4.14Å; L451-R540 HydrophobicContact CD1-CB 3.66Å; L451-N541 VanDerWaalsContact CD2-OD1 3.27Å; L451-N541 WeakPolarHBondContact CD2-OD1 3.37Å; L451-A544 HydrophobicContact CB-CB 3.63Å; L451-L546 HydrophobicContact CD2-CD1 4.2Å
452	G	96.5	Very high	93.5	Very high	14 Å²	14	41.9 Å²	41.9	14%	0.144	21%	0.21	C	C	.	.	H	α-helix	trans	-61.5	-38.9	170.7	0	0	0	0	0	112.8	D448 T449 V450 R455 R456	D448-G452 PolarHBondContact O-N 3.29Å; T449-G452 PolarHBondContact O-N 2.89Å; V450-G452 VanDerWaalsContact C-N 3.33Å; V450-G452 PolarHBondContact O-N 2.75Å; G452-R455 PolarHBondContact O-N 3.21Å; G452-R456 WeakPolarHBondContact O-CG 3.28Å; G452-R456 PolarHBondContact O-N 3.33Å
453	N	97.3	Very high	94.7	Very high	12 Å²	12	34 Å²	34	6%	0.064	17%	0.168	C	C	.	.	H	α-helix	trans	-64.5	-46	172.2	-70.3	-24.3	0	0	0	111.6	E402 V404 T449 V450 L451 R455 R456 M457	E402-N453 PolarHBondContact O-ND2 2.95Å; V404-N453 VanDerWaalsContact O-CB 3.32Å; V404-N453 WeakPolarHBondContact O-CB 3.34Å; V404-N453 VanDerWaalsContact O-CG 3.28Å; V404-N453 PolarHBondContact O-ND2 3.4Å; T449-N453 PolarHBondContact O-N 3.24Å; V450-N453 WeakPolarHBondContact O-CB 2.91Å; V450-N453 PolarHBondContact O-N 3.22Å; V450-N453 VanDerWaalsContact O-N 3.13Å; L451-N453 VanDerWaalsContact C-N 3.33Å; L451-N453 PolarHBondContact O-N 2.68Å; N453-R455 VanDerWaalsContact C-N 3.31Å; N453-R455 PolarHBondContact O-N 3Å; N453-R456 CarbonylContact O-C 3.53Å; N453-R456 WeakPolarHBondContact O-CA 3.47Å; N453-R456 WeakPolarHBondContact O-CB 3.48Å; N453-R456 PolarHBondContact O-N 2.83Å; N453-R456 PolarHBondContact OD1-NH2 3.11Å; N453-M457 VanDerWaalsContact O-CG 3.31Å; N453-M457 WeakPolarHBondContact O-CG 3.1Å; N453-M457 PolarHBondContact O-N 3.37Å
454	V	97.7	Very high	95.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-58.6	-42.7	176.5	173.7	0	0	0	0	110.9	Y326 V425 F431 V450 L451 R456 M457 P459 F462 L546	Y326-V454 HydrophobicContact CE2-CG2 4.19Å; V425-V454 HydrophobicContact CB-CG1 4.35Å; V425-V454 HydrophobicContact CG1-CG1 4.1Å; V425-V454 HydrophobicContact CG1-CG2 3.98Å; F431-V454 HydrophobicContact CZ-CG2 4.44Å; V450-V454 WeakPolarHBondContact O-CG2 3.03Å; V450-V454 PolarHBondContact O-N 3.47Å; L451-V454 PolarHBondContact O-N 3.05Å; V454-R456 PolarHBondContact O-N 2.74Å; V454-M457 WeakPolarHBondContact O-CB 3.28Å; V454-M457 PolarHBondContact O-N 3.24Å; V454-P459 HydrophobicContact CG1-CG 4.22Å; V454-P459 WeakPolarHBondContact O-CD 3.34Å; V454-F462 HydrophobicContact CG1-CB 4Å; V454-F462 HydrophobicContact CG1-CD1 4.08Å; V454-F462 HydrophobicContact CG1-CD2 3.87Å; V454-F462 HydrophobicContact CG1-CE2 4.38Å; V454-F462 HydrophobicContact CG1-CG 3.71Å; V454-L546 HydrophobicContact CG1-CD2 4.5Å
455	R	96.9	Very high	96.2	Very high	81 Å²	81	27.2 Å²	27.2	31%	0.306	12%	0.123	S	C	.	.	H	α-helix	trans	-58.8	-47.2	172	173.6	175.9	165.4	112.5	1	111.6	L451 G452 N453 M457 R458 A544 G545 L546 A597 D598	L451-R455 PolarHBondContact O-N 3.24Å; G452-R455 PolarHBondContact O-N 3.21Å; N453-R455 VanDerWaalsContact C-N 3.31Å; N453-R455 PolarHBondContact O-N 3Å; R455-M457 VanDerWaalsContact C-N 3.26Å; R455-M457 PolarHBondContact O-N 2.67Å; R455-R458 PolarHBondContact O-N 3.01Å; R455-A544 WeakPolarHBondContact CD-O 3.49Å; R455-G545 VanDerWaalsContact NH1-C 3.34Å; R455-G545 PolarHBondContact NH1-O 2.96Å; R455-L546 HydrophobicContact CB-CD2 4.13Å; R455-A597 HydrophobicContact CG-CB 4.19Å; R455-D598 PolarHBondContact NH1-O 3.28Å; R455-D598 VanDerWaalsContact NH1-O 3.1Å; R455-D598 PolarHBondContact NH2-O 3.4Å; R455-D598 VanDerWaalsContact NH2-O 3.12Å
456	R	94.9	Very high	96.4	Very high	153 Å²	153	27.2 Å²	27.2	58%	0.577	12%	0.123	S	C	*	.	H	α-helix	trans	-63.8	-28.1	179	-76.6	-174.4	-73.2	-90.9	5.4	113.4	G452 N453 V454 R458	G452-R456 WeakPolarHBondContact O-CG 3.28Å; G452-R456 PolarHBondContact O-N 3.33Å; N453-R456 CarbonylContact O-C 3.53Å; N453-R456 WeakPolarHBondContact O-CA 3.47Å; N453-R456 WeakPolarHBondContact O-CB 3.48Å; N453-R456 PolarHBondContact O-N 2.83Å; N453-R456 PolarHBondContact OD1-NH2 3.11Å; V454-R456 PolarHBondContact O-N 2.74Å; R456-R458 PolarHBondContact O-N 3.27Å
457	M	94.4	Very high	96.5	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.015	13%	0.125	C	C	.	.	H	α-helix	trans	-67	-18.6	172.5	-68.4	169	-179	0	0	112.8	Y326 V404 A406 L409 L423 V425 N453 V454 R455	Y326-M457 WeakPolarHBondContact OH-CE 3.46Å; V404-M457 HydrophobicContact CG1-CE 4.06Å; A406-M457 HydrophobicContact CB-CB 4.5Å; A406-M457 HydrophobicContact CB-CG 4Å; L409-M457 HydrophobicContact CD1-CB 4.21Å; L409-M457 HydrophobicContact CD1-CE 4.28Å; L409-M457 HydrophobicContact CD1-CG 3.74Å; L409-M457 HydrophobicContact CD1-SD 3.84Å; L409-M457 HydrophobicContact CD2-CE 4.5Å; L409-M457 HydrophobicContact CG-CE 4.45Å; L423-M457 HydrophobicContact CD2-CB 4.16Å; L423-M457 VanDerWaalsContact CD2-O 3.25Å; L423-M457 WeakPolarHBondContact CD2-O 3.19Å; V425-M457 HydrophobicContact CG2-SD 4.12Å; N453-M457 VanDerWaalsContact O-CG 3.31Å; N453-M457 WeakPolarHBondContact O-CG 3.1Å; N453-M457 PolarHBondContact O-N 3.37Å; V454-M457 WeakPolarHBondContact O-CB 3.28Å; V454-M457 PolarHBondContact O-N 3.24Å; R455-M457 VanDerWaalsContact C-N 3.26Å; R455-M457 PolarHBondContact O-N 2.67Å
458	R	94.1	Very high	96.6	Very high	152 Å²	152	28.7 Å²	28.7	57%	0.574	13%	0.131	S	C	*	.			trans	49.4	55.8	-178.9	-61.3	-179.5	172.8	-161.5	-5.4	112.9	R420 R455 R456	R420-R458 PolarHBondContact NH2-O 3.04Å; R455-R458 PolarHBondContact O-N 3.01Å; R456-R458 PolarHBondContact O-N 3.27Å
459	P	95.8	Very high	96.5	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.019	12%	0.121	C	C	.	.			trans	-65.7	145	177.8	29.9	-35.6	0	0	0	111	L423 V425 V454 V461 F462	L423-P459 HydrophobicContact CD2-CB 4.25Å; L423-P459 HydrophobicContact CG-CB 4.18Å; L423-P459 CarbonylContact O-C 3.55Å; V425-P459 HydrophobicContact CB-CB 4.25Å; V425-P459 HydrophobicContact CB-CG 4.46Å; V425-P459 HydrophobicContact CG2-CB 3.83Å; V425-P459 HydrophobicContact CG2-CG 4.19Å; V454-P459 HydrophobicContact CG1-CG 4.22Å; V454-P459 WeakPolarHBondContact O-CD 3.34Å; P459-V461 PolarHBondContact O-N 3.4Å; P459-F462 HydrophobicContact CG-CB 4.06Å
460	D	95.1	Very high	96.2	Very high	43 Å²	43	27 Å²	27	23%	0.23	12%	0.122	C	C	.	.	S	Bend	trans	-60.6	-37.3	166.7	-67.4	-104.8	0	0	0	110.3	K318 R420 V422 L423	K318-D460 IonicContact NZ-OD1 3.03Å; R420-D460 IonicContact CZ-OD2 3.86Å; R420-D460 VanDerWaalsContact NH1-CG 3.33Å; R420-D460 IonicContact NH1-OD1 2.98Å; R420-D460 PolarHBondContact NH1-OD1 3.32Å; R420-D460 IonicContact NH1-OD2 3.95Å; R420-D460 PolarHBondContact NH1-OD2 3.03Å; R420-D460 IonicContact NH2-OD2 3.97Å; R420-D460 PolarHBondContact NH2-OD2 2.76Å; V422-D460 HydrophobicContact CG1-CB 3.99Å; L423-D460 PolarHBondContact N-OD2 3.44Å; L423-D460 PolarHBondContact O-N 2.99Å
461	V	98.2	Very high	95.6	Very high	11 Å²	11	29 Å²	29	7%	0.067	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	131.2	170.5	-174.2	0	0	0	0	111.6	T309 A313 L423 V424 V425 P459 I463 L549 A594 W595	T309-V461 HydrophobicContact CG2-CG1 3.67Å; A313-V461 HydrophobicContact CB-CG2 3.77Å; L423-V461 PolarHBondContact O-N 2.96Å; V424-V461 WeakPolarHBondContact CA-O 3.37Å; V425-V461 PolarHBondContact N-O 3.31Å; P459-V461 PolarHBondContact O-N 3.4Å; V461-I463 HydrophobicContact CG1-CG1 3.79Å; V461-L549 HydrophobicContact CG1-CD1 4.02Å; V461-L549 HydrophobicContact CG2-CD1 4.08Å; V461-A594 HydrophobicContact CG1-CB 3.95Å; V461-W595 CarbonylContact C-O 3.53Å; V461-W595 WeakPolarHBondContact CA-O 2.91Å
462	F	98.8	Very high	94.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	115.8	162.8	169.2	-129.6	0	0	0	110.2	V425 D427 F431 L451 V454 P459 Q464 L546 A594 W595	V425-F462 HydrophobicContact CB-CD2 4.02Å; V425-F462 HydrophobicContact CG1-CD2 3.79Å; V425-F462 HydrophobicContact CG1-CE2 4.2Å; V425-F462 CarbonylContact O-C 3.55Å; V425-F462 VanDerWaalsContact O-CA 3.29Å; V425-F462 WeakPolarHBondContact O-CA 3.36Å; V425-F462 WeakPolarHBondContact O-CD2 3.48Å; D427-F462 HydrophobicContact CB-CE2 3.97Å; D427-F462 HydrophobicContact CB-CZ 4.26Å; F431-F462 HydrophobicContact CE2-CE2 4.3Å; F431-F462 AromaticContact CE2-CZ 3.87Å; F431-F462 HydrophobicContact CE2-CZ 3.87Å; L451-F462 HydrophobicContact CD2-CE1 4.04Å; L451-F462 HydrophobicContact CD2-CZ 4.24Å; V454-F462 HydrophobicContact CG1-CB 4Å; V454-F462 HydrophobicContact CG1-CD1 4.08Å; V454-F462 HydrophobicContact CG1-CD2 3.87Å; V454-F462 HydrophobicContact CG1-CE2 4.38Å; V454-F462 HydrophobicContact CG1-CG 3.71Å; P459-F462 HydrophobicContact CG-CB 4.06Å; F462-Q464 HydrophobicContact CE1-CB 4.1Å; F462-Q464 HydrophobicContact CE1-CG 4.41Å; F462-Q464 HydrophobicContact CZ-CB 3.93Å; F462-Q464 HydrophobicContact CZ-CG 4Å; F462-L546 HydrophobicContact CD1-CD1 3.97Å; F462-L546 HydrophobicContact CE1-CD1 4.18Å; F462-A594 CarbonylContact O-C 3.51Å; F462-A594 VanDerWaalsContact O-CA 3.31Å; F462-A594 WeakPolarHBondContact O-CA 3.33Å; F462-W595 HydrophobicContact CB-CB 4.2Å; F462-W595 HydrophobicContact CD1-CB 3.98Å; F462-W595 AromaticContact CD1-CD1 3.72Å; F462-W595 HydrophobicContact CD1-CG 4.06Å; F462-W595 PolarHBondContact N-O 2.9Å; F462-W595 PolarHBondContact O-N 3.43Å
463	I	98.8	Very high	94.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	125.3	-179.5	-57.5	176.7	0	0	0	108.4	F305 T309 I310 V424 V425 D427 L428 V461	F305-I463 HydrophobicContact CD1-CG2 4.2Å; F305-I463 HydrophobicContact CE1-CG2 3.97Å; T309-I463 HydrophobicContact CG2-CD1 3.91Å; T309-I463 HydrophobicContact CG2-CG1 3.99Å; I310-I463 HydrophobicContact CD1-CD1 4.08Å; I310-I463 HydrophobicContact CG1-CD1 3.65Å; V424-I463 HydrophobicContact CG1-CD1 3.91Å; V424-I463 HydrophobicContact CG1-CG1 4.35Å; V425-I463 PolarHBondContact O-N 3.37Å; D427-I463 PolarHBondContact N-O 3.27Å; L428-I463 HydrophobicContact CD2-CG2 4.18Å; V461-I463 HydrophobicContact CG1-CG1 3.79Å
464	Q	98.6	Very high	94	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	129.3	179.4	-160.6	-177.9	34.4	0	0	111.4	D427 F462 V466 N541 H592 T593	D427-Q464 HydrophobicContact CB-CG 4.37Å; D427-Q464 CarbonylContact O-C 3.43Å; D427-Q464 WeakPolarHBondContact O-CA 3.48Å; D427-Q464 WeakPolarHBondContact OD2-CG 3.2Å; F462-Q464 HydrophobicContact CE1-CB 4.1Å; F462-Q464 HydrophobicContact CE1-CG 4.41Å; F462-Q464 HydrophobicContact CZ-CB 3.93Å; F462-Q464 HydrophobicContact CZ-CG 4Å; Q464-V466 HydrophobicContact CG-CG1 3.92Å; Q464-N541 PolarHBondContact OE1-ND2 3Å; Q464-H592 WeakPolarHBondContact O-CA 3.17Å; Q464-T593 HydrophobicContact CB-CG2 3.88Å; Q464-T593 PolarHBondContact N-O 2.94Å; Q464-T593 PolarHBondContact O-N 3.38Å
465	S	98.4	Very high	93.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	130.6	170.1	-54.8	0	0	0	0	110.4	D427 L428 F429 A591 H592	D427-S465 PolarHBondContact O-N 3.38Å; L428-S465 VanDerWaalsContact CD2-OG 3.32Å; L428-S465 WeakPolarHBondContact CD2-OG 3.49Å; F429-S465 WeakPolarHBondContact CA-O 3.46Å; F429-S465 WeakPolarHBondContact CD1-O 3.26Å; F429-S465 PolarHBondContact N-O 3Å; S465-A591 CarbonylContact C-O 3.58Å; S465-A591 WeakPolarHBondContact CA-O 3.48Å; S465-H592 VanDerWaalsContact CB-ND1 3.33Å; S465-H592 WeakPolarHBondContact CB-ND1 3.17Å; S465-H592 PolarHBondContact OG-ND1 3.43Å
466	V	97.5	Very high	93.5	Very high	5 Å²	5	38.2 Å²	38.2	3%	0.03	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	145.9	-171.5	-54.4	0	0	0	0	111.7	F429 Q464 N468 W537 W579 T590 A591	F429-V466 WeakPolarHBondContact CE1-O 3.2Å; Q464-V466 HydrophobicContact CG-CG1 3.92Å; V466-N468 PolarHBondContact O-N 3Å; V466-W537 HydrophobicContact CG1-CD2 4.35Å; V466-W537 HydrophobicContact CG1-CG 3.91Å; V466-W579 HydrophobicContact CG2-CH2 4.34Å; V466-W579 HydrophobicContact CG2-CZ3 3.98Å; V466-T590 VanDerWaalsContact O-CA 3.26Å; V466-T590 WeakPolarHBondContact O-CA 3.44Å; V466-T590 WeakPolarHBondContact O-CB 3.34Å; V466-A591 HydrophobicContact CG2-CB 3.88Å; V466-A591 PolarHBondContact N-O 2.9Å; V466-A591 PolarHBondContact O-N 3.49Å
467	T	95.1	Very high	93.4	Very high	24 Å²	24	32.4 Å²	32.4	15%	0.147	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	115.5	169.6	-59.4	0	0	0	0	107.9	R469 Y485	T467-R469 VanDerWaalsContact C-N 3.27Å; T467-R469 HydrophobicContact CG2-CB 4.35Å; T467-R469 PolarHBondContact O-N 3.21Å; T467-Y485 HydrophobicContact CG2-CD2 4.48Å; T467-Y485 HydrophobicContact CG2-CE2 3.77Å
468	N	95.6	Very high	93.3	Very high	22 Å²	22	32.7 Å²	32.7	12%	0.118	18%	0.183	C	C	.	.			trans	-79.4	73.3	-174.5	-173.7	41.8	0	0	0	111.6	V466 K533 Y534 A588 L589	V466-N468 PolarHBondContact O-N 3Å; N468-K533 WeakPolarHBondContact OD1-CA 3.47Å; N468-Y534 HydrophobicContact CB-CD1 4.5Å; N468-Y534 VanDerWaalsContact OD1-CD1 3.27Å; N468-Y534 WeakPolarHBondContact OD1-CD1 3.5Å; N468-Y534 PolarHBondContact OD1-N 3.09Å; N468-A588 PolarHBondContact ND2-O 3.16Å; N468-L589 PolarHBondContact N-O 2.92Å
469	R	92.7	Very high	93.3	Very high	12 Å²	12	25.8 Å²	25.8	5%	0.045	16%	0.157	C	C	.	.			trans	-140.1	137.1	178.2	-179.3	179.3	63.8	143.8	-4.4	108.4	T467 E481 D519 P531 E532	T467-R469 VanDerWaalsContact C-N 3.27Å; T467-R469 HydrophobicContact CG2-CB 4.35Å; T467-R469 PolarHBondContact O-N 3.21Å; R469-E481 HydrophobicContact CG-CB 4.14Å; R469-D519 IonicContact CZ-OD2 3.53Å; R469-D519 VanDerWaalsContact CZ-OD2 3.26Å; R469-D519 IonicContact NH1-OD2 3.01Å; R469-D519 PolarHBondContact NH1-OD2 3.31Å; R469-D519 IonicContact NH2-OD2 3.77Å; R469-D519 PolarHBondContact NH2-OD2 3.33Å; R469-P531 HydrophobicContact CB-CB 4.25Å; R469-P531 HydrophobicContact CB-CG 3.96Å; R469-P531 HydrophobicContact CG-CG 4.17Å; R469-P531 VanDerWaalsContact NE-CG 3.28Å; R469-P531 CarbonylContact O-C 3.52Å; R469-P531 VanDerWaalsContact O-CB 3.31Å; R469-P531 WeakPolarHBondContact O-CB 3.42Å; R469-P531 VanDerWaalsContact O-O 3.1Å; R469-E532 CarbonylContact O-C 3.59Å; R469-E532 PolarHBondContact O-N 3.2Å
470	S	89.5	Confident	93.3	Very high	32 Å²	32	32.9 Å²	32.9	22%	0.224	18%	0.183	C	C	.	.			trans	-76.2	140.3	170.4	179.4	0	0	0	0	110	G472 E481	S470-G472 VanDerWaalsContact C-N 3.25Å; S470-G472 PolarHBondContact OG-N 3.28Å; S470-E481 WeakPolarHBondContact O-CB 3.31Å
471	Y	83.8	Confident	93.2	Very high	41 Å²	41	32.6 Å²	32.6	16%	0.161	18%	0.18	C	C	.	.			trans	-64.9	-32.6	171.7	178.6	-115.3	0	0	0	111.9	R478 L527 R530 P531	Y471-R478 VanDerWaalsContact CE2-CD 3.49Å; Y471-R478 VanDerWaalsContact O-CA 3.27Å; Y471-R478 WeakPolarHBondContact O-CA 3.4Å; Y471-R478 WeakPolarHBondContact O-CB 3.41Å; Y471-R478 WeakPolarHBondContact O-CG 3.15Å; Y471-L527 HydrophobicContact CE2-CD2 3.62Å; Y471-L527 HydrophobicContact CE2-CG 4.44Å; Y471-L527 WeakPolarHBondContact OH-CD2 3.31Å; Y471-R530 HydrophobicContact CD2-CB 3.99Å; Y471-R530 HydrophobicContact CD2-CG 4.03Å; Y471-R530 HydrophobicContact CE2-CB 4.23Å; Y471-R530 HydrophobicContact CE2-CG 3.74Å; Y471-R530 HydrophobicContact CG-CB 4.38Å; Y471-P531 WeakPolarHBondContact CB-O 3.49Å; Y471-P531 PolarHBondContact N-O 2.9Å
472	G	84	Confident	93	Very high	18 Å²	18	32.1 Å²	32.1	19%	0.186	18%	0.178	C	C	.	.			trans	85.7	148.6	-177	0	0	0	0	0	113.2	S470 S474 S477	S470-G472 VanDerWaalsContact C-N 3.25Å; S470-G472 PolarHBondContact OG-N 3.28Å; G472-S474 VanDerWaalsContact C-N 3.34Å; G472-S477 WeakPolarHBondContact CA-OG 3.39Å
473	S	85.6	Confident	92.9	Very high	125 Å²	125	32.5 Å²	32.5	87%	0.874	18%	0.179	S	C	*	.	S	Bend	trans	-78.9	-11.8	178.7	53.1	0	0	0	0	114.7	S477	S473-S477 PolarHBondContact N-OG 3.49Å
474	S	89.3	Confident	92.6	Very high	60 Å²	60	34.7 Å²	34.7	42%	0.42	19%	0.189	S	C	.	.	S	Bend	trans	-148.7	166.5	-177.2	74.1	0	0	0	0	110.6	G472 L476 S477 R478	G472-S474 VanDerWaalsContact C-N 3.34Å; S474-L476 VanDerWaalsContact C-N 3.26Å; S474-L476 PolarHBondContact O-N 3.04Å; S474-S477 PolarHBondContact N-OG 2.8Å; S474-S477 PolarHBondContact O-N 3.3Å; S474-S477 PolarHBondContact O-OG 3.42Å; S474-S477 VanDerWaalsContact O-OG 3.09Å; S474-S477 PolarHBondContact OG-N 3.19Å; S474-S477 PolarHBondContact OG-OG 3.19Å; S474-R478 WeakPolarHBondContact O-CB 3.27Å; S474-R478 PolarHBondContact O-N 3.4Å
475	F	90.4	Very high	92.4	Very high	31 Å²	31	36.1 Å²	36.1	14%	0.136	20%	0.195	C	C	.	.	H	α-helix	trans	-57.4	-40.6	175.3	172.7	-119.5	0	0	0	112.2	V216 R259 F479	V216-F475 HydrophobicContact CG1-CD1 4.18Å; V216-F475 HydrophobicContact CG1-CE1 3.41Å; V216-F475 VanDerWaalsContact CG1-CE1 3.41Å; V216-F475 HydrophobicContact CG1-CZ 3.73Å; R259-F475 VanDerWaalsContact CZ-CZ 3.46Å; R259-F475 VanDerWaalsContact NH1-CE2 3.31Å; F475-F479 VanDerWaalsContact O-CB 3.32Å; F475-F479 WeakPolarHBondContact O-CB 3.38Å; F475-F479 PolarHBondContact O-N 2.83Å
476	L	92.4	Very high	92.3	Very high	68 Å²	68	36.6 Å²	36.6	36%	0.356	20%	0.196	S	C	.	.	H	α-helix	trans	-67	-43.7	178.8	-76.5	171.6	0	0	0	112.3	V216 K217 A220 S474 F479 R480	V216-L476 HydrophobicContact CG1-CD2 3.88Å; K217-L476 HydrophobicContact CG-CD2 3.93Å; A220-L476 HydrophobicContact CB-CD1 3.7Å; A220-L476 HydrophobicContact CB-CD2 3.92Å; A220-L476 HydrophobicContact CB-CG 3.73Å; S474-L476 VanDerWaalsContact C-N 3.26Å; S474-L476 PolarHBondContact O-N 3.04Å; L476-F479 PolarHBondContact O-N 3.39Å; L476-R480 WeakPolarHBondContact O-CB 3.29Å; L476-R480 PolarHBondContact O-N 3.32Å
477	S	92.6	Very high	92.2	Very high	31 Å²	31	39 Å²	39	22%	0.217	21%	0.208	C	C	.	.	H	α-helix	trans	-68.1	-41	178.3	62.8	0	0	0	0	111.2	G472 S473 S474 F479 R480 E481	G472-S477 WeakPolarHBondContact CA-OG 3.39Å; S473-S477 PolarHBondContact N-OG 3.49Å; S474-S477 PolarHBondContact N-OG 2.8Å; S474-S477 PolarHBondContact O-N 3.3Å; S474-S477 PolarHBondContact O-OG 3.42Å; S474-S477 VanDerWaalsContact O-OG 3.09Å; S474-S477 PolarHBondContact OG-N 3.19Å; S474-S477 PolarHBondContact OG-OG 3.19Å; S477-F479 PolarHBondContact O-N 3.13Å; S477-R480 WeakPolarHBondContact O-CB 3.48Å; S477-R480 PolarHBondContact O-N 3.32Å; S477-E481 WeakPolarHBondContact O-CG 3.31Å; S477-E481 PolarHBondContact O-N 3.33Å
478	R	92.9	Very high	92.3	Very high	9 Å²	9	38 Å²	38	3%	0.034	20%	0.202	C	C	.	.	H	α-helix	trans	-57	-48.4	171.5	-179.7	164.7	45.6	127.2	-10.6	112.4	Y471 S474 R480 E481 M482 D519 C522 E523 L527	Y471-R478 VanDerWaalsContact CE2-CD 3.49Å; Y471-R478 VanDerWaalsContact O-CA 3.27Å; Y471-R478 WeakPolarHBondContact O-CA 3.4Å; Y471-R478 WeakPolarHBondContact O-CB 3.41Å; Y471-R478 WeakPolarHBondContact O-CG 3.15Å; S474-R478 WeakPolarHBondContact O-CB 3.27Å; S474-R478 PolarHBondContact O-N 3.4Å; R478-R480 VanDerWaalsContact C-N 3.3Å; R478-R480 PolarHBondContact O-N 3.08Å; R478-E481 PolarHBondContact O-N 3.03Å; R478-M482 VanDerWaalsContact O-CB 3.28Å; R478-M482 WeakPolarHBondContact O-CB 3.41Å; R478-M482 PolarHBondContact O-N 3.5Å; R478-D519 PolarHBondContact NH1-O 3.03Å; R478-C522 PolarHBondContact NH1-O 3.45Å; R478-E523 IonicContact CZ-OE1 3.73Å; R478-E523 IonicContact CZ-OE2 2.65Å; R478-E523 IonicContact NH1-OE1 2.75Å; R478-E523 IonicContact NH1-OE2 3.21Å; R478-E523 IonicContact NH2-OE1 2.76Å; R478-E523 PolarHBondContact NH2-OE1 3.05Å; R478-E523 IonicContact NH2-OE2 2.78Å; R478-E523 PolarHBondContact NH2-OE2 3.07Å; R478-L527 VanDerWaalsContact NH1-CD2 3.28Å
479	F	95	Very high	92.3	Very high	6 Å²	6	37.1 Å²	37.1	3%	0.026	20%	0.197	C	C	.	.	H	α-helix	trans	-60.8	-41.9	178.9	-179.6	-96.5	0	0	0	111.4	L212 V216 F252 F475 L476 S477 M482 L483 I520	L212-F479 HydrophobicContact CB-CZ 4.17Å; V216-F479 HydrophobicContact CB-CD1 3.98Å; V216-F479 HydrophobicContact CB-CE1 4.06Å; V216-F479 HydrophobicContact CB-CG 4.21Å; V216-F479 HydrophobicContact CB-CZ 4.35Å; V216-F479 HydrophobicContact CG1-CB 4Å; V216-F479 HydrophobicContact CG1-CD1 3.89Å; V216-F479 HydrophobicContact CG1-CD2 4.18Å; V216-F479 HydrophobicContact CG1-CE1 4.45Å; V216-F479 HydrophobicContact CG1-CG 3.73Å; V216-F479 HydrophobicContact CG2-CD1 3.97Å; V216-F479 HydrophobicContact CG2-CD2 3.8Å; V216-F479 HydrophobicContact CG2-CE1 3.73Å; V216-F479 HydrophobicContact CG2-CE2 3.56Å; V216-F479 HydrophobicContact CG2-CG 4Å; V216-F479 HydrophobicContact CG2-CZ 3.52Å; F252-F479 AromaticContact CD1-CE2 3.61Å; F252-F479 HydrophobicContact CD1-CE2 3.61Å; F252-F479 AromaticContact CD1-CZ 3.75Å; F252-F479 HydrophobicContact CD1-CZ 3.75Å; F252-F479 AromaticContact CE1-CE2 3.71Å; F252-F479 HydrophobicContact CE1-CE2 3.71Å; F252-F479 AromaticContact CE1-CZ 3.89Å; F252-F479 HydrophobicContact CE1-CZ 3.89Å; F475-F479 VanDerWaalsContact O-CB 3.32Å; F475-F479 WeakPolarHBondContact O-CB 3.38Å; F475-F479 PolarHBondContact O-N 2.83Å; L476-F479 PolarHBondContact O-N 3.39Å; S477-F479 PolarHBondContact O-N 3.13Å; F479-M482 HydrophobicContact CD2-SD 4.28Å; F479-M482 WeakPolarHBondContact O-CB 3.26Å; F479-M482 PolarHBondContact O-N 3.29Å; F479-L483 HydrophobicContact CE1-CB 4.41Å; F479-L483 HydrophobicContact CE1-CD2 4.14Å; F479-L483 VanDerWaalsContact O-CB 3.26Å; F479-L483 WeakPolarHBondContact O-CB 3.47Å; F479-L483 PolarHBondContact O-N 3.32Å; F479-I520 HydrophobicContact CD2-CG1 4.27Å; F479-I520 HydrophobicContact CE2-CD1 4.12Å; F479-I520 HydrophobicContact CE2-CG1 4.24Å
480	R	94.5	Very high	92.5	Very high	153 Å²	153	36.6 Å²	36.6	58%	0.577	20%	0.195	S	C	*	.	H	α-helix	trans	-61.3	-50.9	176.5	179.3	-178.3	128.5	163.6	0.2	111.4	L476 S477 R478 M482 L483 F484	L476-R480 WeakPolarHBondContact O-CB 3.29Å; L476-R480 PolarHBondContact O-N 3.32Å; S477-R480 WeakPolarHBondContact O-CB 3.48Å; S477-R480 PolarHBondContact O-N 3.32Å; R478-R480 VanDerWaalsContact C-N 3.3Å; R478-R480 PolarHBondContact O-N 3.08Å; R480-M482 VanDerWaalsContact C-N 3.33Å; R480-M482 PolarHBondContact O-N 2.92Å; R480-L483 PolarHBondContact O-N 3.06Å; R480-F484 HydrophobicContact CG-CD2 3.65Å; R480-F484 HydrophobicContact CG-CE2 3.36Å; R480-F484 HydrophobicContact CG-CZ 4.48Å; R480-F484 WeakPolarHBondContact O-CB 3.49Å; R480-F484 WeakPolarHBondContact O-CD2 3.41Å; R480-F484 PolarHBondContact O-N 3.07Å; R480-F484 VanDerWaalsContact O-N 3.07Å
481	E	93.7	Very high	92.8	Very high	37 Å²	37	37.4 Å²	37.4	17%	0.173	20%	0.198	C	C	.	.	H	α-helix	trans	-60.8	-42.3	179.3	-71.7	-58.4	132.3	0	0	112.1	R469 S470 S477 R478 Y485	R469-E481 HydrophobicContact CG-CB 4.14Å; S470-E481 WeakPolarHBondContact O-CB 3.31Å; S477-E481 WeakPolarHBondContact O-CG 3.31Å; S477-E481 PolarHBondContact O-N 3.33Å; R478-E481 PolarHBondContact O-N 3.03Å; E481-Y485 WeakPolarHBondContact O-CB 3.29Å; E481-Y485 PolarHBondContact O-N 3.48Å; E481-Y485 VanDerWaalsContact O-N 3.07Å
482	M	94.6	Very high	93.4	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-56.6	-54.9	170.2	163.5	-167.9	-102.8	0	0	112.4	F252 R478 F479 R480 F484 Y485 Y486 D519 I520	F252-M482 HydrophobicContact CE1-CG 4.17Å; F252-M482 HydrophobicContact CE1-SD 3.82Å; F252-M482 HydrophobicContact CZ-CG 3.84Å; F252-M482 HydrophobicContact CZ-SD 3.89Å; R478-M482 VanDerWaalsContact O-CB 3.28Å; R478-M482 WeakPolarHBondContact O-CB 3.41Å; R478-M482 PolarHBondContact O-N 3.5Å; F479-M482 HydrophobicContact CD2-SD 4.28Å; F479-M482 WeakPolarHBondContact O-CB 3.26Å; F479-M482 PolarHBondContact O-N 3.29Å; R480-M482 VanDerWaalsContact C-N 3.33Å; R480-M482 PolarHBondContact O-N 2.92Å; M482-F484 PolarHBondContact O-N 2.87Å; M482-Y485 WeakPolarHBondContact O-CB 3.36Å; M482-Y485 PolarHBondContact O-N 3.38Å; M482-Y486 HydrophobicContact CE-CD2 4.39Å; M482-Y486 HydrophobicContact CE-CE2 3.91Å; M482-Y486 HydrophobicContact CG-CD2 3.51Å; M482-Y486 HydrophobicContact CG-CE2 3.77Å; M482-Y486 WeakPolarHBondContact O-CD2 3.05Å; M482-Y486 PolarHBondContact O-N 2.99Å; M482-D519 HydrophobicContact CE-CB 2.92Å; M482-D519 HydrophobicContact SD-CB 4.44Å; M482-I520 HydrophobicContact CE-CD1 4.48Å; M482-I520 HydrophobicContact CE-CG1 3.79Å; M482-I520 HydrophobicContact SD-CD1 3.95Å; M482-I520 HydrophobicContact SD-CG1 3.44Å; M482-I520 WeakPolarHBondContact SD-CG1 3.04Å
483	L	95.1	Very high	94	Very high	7 Å²	7	34.7 Å²	34.7	4%	0.037	18%	0.181	C	C	.	.	H	α-helix	trans	-56.8	-46.4	-172.7	175.3	63.7	0	0	0	109.3	L212 M248 F252 F479 R480 Y485 Y486 M487	L212-L483 HydrophobicContact CD1-CD1 4.05Å; M248-L483 HydrophobicContact CE-CD1 3.76Å; M248-L483 HydrophobicContact SD-CD1 4.08Å; F252-L483 HydrophobicContact CD1-CD1 4.29Å; F252-L483 HydrophobicContact CE1-CB 4.18Å; F252-L483 HydrophobicContact CE1-CD1 3.69Å; F252-L483 HydrophobicContact CZ-CD1 4.06Å; F479-L483 HydrophobicContact CE1-CB 4.41Å; F479-L483 HydrophobicContact CE1-CD2 4.14Å; F479-L483 VanDerWaalsContact O-CB 3.26Å; F479-L483 WeakPolarHBondContact O-CB 3.47Å; F479-L483 PolarHBondContact O-N 3.32Å; R480-L483 PolarHBondContact O-N 3.06Å; L483-Y485 PolarHBondContact O-N 2.7Å; L483-Y486 PolarHBondContact O-N 3.1Å; L483-M487 HydrophobicContact CD1-CG 4.35Å; L483-M487 HydrophobicContact CG-CE 4.15Å; L483-M487 HydrophobicContact CG-SD 4.46Å; L483-M487 WeakPolarHBondContact O-CB 3.35Å; L483-M487 VanDerWaalsContact O-CG 3.27Å; L483-M487 WeakPolarHBondContact O-CG 3.26Å; L483-M487 PolarHBondContact O-N 3.42Å
484	F	93.1	Very high	94.5	Very high	46 Å²	46	30.8 Å²	30.8	20%	0.202	15%	0.151	C	C	.	.	H	α-helix	trans	-60.8	-41.3	175.7	-83.1	-45.7	0	0	0	114.1	L87 R480 M482 M487 A488 R587	L87-F484 HydrophobicContact CD1-CE1 4.16Å; L87-F484 HydrophobicContact CD2-CD1 4.12Å; L87-F484 HydrophobicContact CD2-CE1 3.52Å; L87-F484 HydrophobicContact CD2-CZ 4.4Å; L87-F484 HydrophobicContact CG-CE1 4.49Å; R480-F484 HydrophobicContact CG-CD2 3.65Å; R480-F484 HydrophobicContact CG-CE2 3.36Å; R480-F484 HydrophobicContact CG-CZ 4.48Å; R480-F484 WeakPolarHBondContact O-CB 3.49Å; R480-F484 WeakPolarHBondContact O-CD2 3.41Å; R480-F484 PolarHBondContact O-N 3.07Å; R480-F484 VanDerWaalsContact O-N 3.07Å; M482-F484 PolarHBondContact O-N 2.87Å; F484-M487 HydrophobicContact CB-CE 4.49Å; F484-M487 HydrophobicContact CD1-CE 3.22Å; F484-M487 HydrophobicContact CE1-CE 3.63Å; F484-M487 HydrophobicContact CG-CE 4.12Å; F484-A488 PolarHBondContact O-N 3.04Å; F484-R587 PolarHBondContact O-NH1 2.96Å
485	Y	95.1	Very high	94.8	Very high	30 Å²	30	30.4 Å²	30.4	12%	0.118	15%	0.151	C	C	.	.	H	α-helix	trans	-63.8	-50.9	174.2	174.8	-93.1	0	0	0	111.7	T467 E481 M482 L483 M487 A488 V489 L589	T467-Y485 HydrophobicContact CG2-CD2 4.48Å; T467-Y485 HydrophobicContact CG2-CE2 3.77Å; E481-Y485 WeakPolarHBondContact O-CB 3.29Å; E481-Y485 PolarHBondContact O-N 3.48Å; E481-Y485 VanDerWaalsContact O-N 3.07Å; M482-Y485 WeakPolarHBondContact O-CB 3.36Å; M482-Y485 PolarHBondContact O-N 3.38Å; L483-Y485 PolarHBondContact O-N 2.7Å; Y485-M487 VanDerWaalsContact C-N 3.35Å; Y485-M487 PolarHBondContact O-N 3.22Å; Y485-A488 WeakPolarHBondContact O-CB 3.4Å; Y485-A488 PolarHBondContact O-N 3.41Å; Y485-V489 HydrophobicContact CD1-CG2 4.17Å; Y485-V489 HydrophobicContact CE1-CG2 3.74Å; Y485-V489 HydrophobicContact CE2-CG2 4.46Å; Y485-V489 WeakPolarHBondContact O-CG2 3.43Å; Y485-V489 PolarHBondContact O-N 3.5Å; Y485-L589 HydrophobicContact CD2-CD2 3.68Å; Y485-L589 HydrophobicContact CE2-CB 4.23Å; Y485-L589 HydrophobicContact CE2-CD2 3.97Å
486	Y	95.7	Very high	95	Very high	10 Å²	10	30.4 Å²	30.4	4%	0.039	15%	0.154	C	C	.	.	H	α-helix	trans	-70.9	-28.8	-178.2	-75.6	-72.3	0	0	0	112.9	F252 M482 L483 A488 V489 F490 Y515 V516	F252-Y486 HydrophobicContact CE2-CD2 4.25Å; F252-Y486 HydrophobicContact CE2-CG 4.23Å; F252-Y486 HydrophobicContact CZ-CD2 4.11Å; F252-Y486 HydrophobicContact CZ-CG 4.4Å; M482-Y486 HydrophobicContact CE-CD2 4.39Å; M482-Y486 HydrophobicContact CE-CE2 3.91Å; M482-Y486 HydrophobicContact CG-CD2 3.51Å; M482-Y486 HydrophobicContact CG-CE2 3.77Å; M482-Y486 WeakPolarHBondContact O-CD2 3.05Å; M482-Y486 PolarHBondContact O-N 2.99Å; L483-Y486 PolarHBondContact O-N 3.1Å; Y486-A488 VanDerWaalsContact C-N 3.3Å; Y486-A488 PolarHBondContact O-N 3.18Å; Y486-V489 PolarHBondContact O-N 2.91Å; Y486-F490 HydrophobicContact CD1-CD2 4.5Å; Y486-F490 HydrophobicContact CD1-CE2 4.23Å; Y486-F490 WeakPolarHBondContact O-CB 3.46Å; Y486-F490 VanDerWaalsContact O-CD2 3.31Å; Y486-F490 WeakPolarHBondContact O-CD2 3.44Å; Y486-F490 PolarHBondContact O-N 3.49Å; Y486-Y515 VanDerWaalsContact OH-CB 3.29Å; Y486-Y515 WeakPolarHBondContact OH-CB 3.49Å; Y486-V516 HydrophobicContact CD1-CG2 3.69Å; Y486-V516 HydrophobicContact CD2-CG2 3.88Å; Y486-V516 HydrophobicContact CE1-CG2 3.42Å; Y486-V516 VanDerWaalsContact CE1-CG2 3.42Å; Y486-V516 HydrophobicContact CE2-CG2 3.63Å; Y486-V516 HydrophobicContact CG-CG2 3.9Å
487	M	95.5	Very high	95.1	Very high	57 Å²	57	27.4 Å²	27.4	28%	0.281	14%	0.138	S	C	.	.	H	α-helix	trans	-57.4	-45.4	169.4	-80.4	-169.1	-59.4	0	0	111.2	M248 L483 F484 Y485 D491	M248-M487 HydrophobicContact CE-CG 3.59Å; M248-M487 HydrophobicContact CE-SD 4.45Å; M248-M487 HydrophobicContact SD-CB 4.3Å; M248-M487 HydrophobicContact SD-CG 3.53Å; M248-M487 VanDerWaalsContact SD-CG 3.53Å; L483-M487 HydrophobicContact CD1-CG 4.35Å; L483-M487 HydrophobicContact CG-CE 4.15Å; L483-M487 HydrophobicContact CG-SD 4.46Å; L483-M487 WeakPolarHBondContact O-CB 3.35Å; L483-M487 VanDerWaalsContact O-CG 3.27Å; L483-M487 WeakPolarHBondContact O-CG 3.26Å; L483-M487 PolarHBondContact O-N 3.42Å; F484-M487 HydrophobicContact CB-CE 4.49Å; F484-M487 HydrophobicContact CD1-CE 3.22Å; F484-M487 HydrophobicContact CE1-CE 3.63Å; F484-M487 HydrophobicContact CG-CE 4.12Å; Y485-M487 VanDerWaalsContact C-N 3.35Å; Y485-M487 PolarHBondContact O-N 3.22Å; M487-D491 WeakPolarHBondContact O-CB 3.19Å; M487-D491 PolarHBondContact O-N 3.21Å
488	A	96.3	Very high	94.8	Very high	3 Å²	3	30.3 Å²	30.3	3%	0.025	16%	0.156	C	C	.	.	H	α-helix	trans	-65.4	-41.2	176.5	0	0	0	0	0	112	F484 Y485 Y486 M492 L589	F484-A488 PolarHBondContact O-N 3.04Å; Y485-A488 WeakPolarHBondContact O-CB 3.4Å; Y485-A488 PolarHBondContact O-N 3.41Å; Y486-A488 VanDerWaalsContact C-N 3.3Å; Y486-A488 PolarHBondContact O-N 3.18Å; A488-M492 VanDerWaalsContact O-CB 3.25Å; A488-M492 WeakPolarHBondContact O-CB 3.3Å; A488-M492 PolarHBondContact O-N 3.22Å; A488-L589 HydrophobicContact CB-CD1 4.11Å; A488-L589 HydrophobicContact CB-CD2 4.18Å
489	V	96.3	Very high	94.3	Very high	2 Å²	2	37 Å²	37	1%	0.012	18%	0.181	C	C	.	.	H	α-helix	trans	-65	-44.4	177.8	174.6	0	0	0	0	111.9	Y485 Y486 M492 L493 L512 L589	Y485-V489 HydrophobicContact CD1-CG2 4.17Å; Y485-V489 HydrophobicContact CE1-CG2 3.74Å; Y485-V489 HydrophobicContact CE2-CG2 4.46Å; Y485-V489 WeakPolarHBondContact O-CG2 3.43Å; Y485-V489 PolarHBondContact O-N 3.5Å; Y486-V489 PolarHBondContact O-N 2.91Å; V489-M492 HydrophobicContact CG1-CE 4.3Å; V489-M492 WeakPolarHBondContact O-CB 3.21Å; V489-M492 PolarHBondContact O-N 2.99Å; V489-L493 HydrophobicContact CG1-CD1 4.12Å; V489-L493 VanDerWaalsContact O-CG 3.29Å; V489-L493 WeakPolarHBondContact O-CG 3.26Å; V489-L493 PolarHBondContact O-N 2.69Å; V489-L512 HydrophobicContact CG1-CD1 3.78Å; V489-L589 HydrophobicContact CG2-CD1 4.49Å
490	F	96.4	Very high	93.6	Very high	1 Å²	1	45.3 Å²	45.3	0%	0.004	22%	0.221	C	C	.	.	H	α-helix	trans	-72.4	-33.9	-179.8	-86.8	-99.4	0	0	0	112.5	A244 R247 M248 Y486 L493 D494 E508	A244-F490 HydrophobicContact CB-CB 4.34Å; R247-F490 HydrophobicContact CB-CD1 4.04Å; R247-F490 HydrophobicContact CB-CE1 3.88Å; M248-F490 HydrophobicContact CB-CB 4.3Å; M248-F490 HydrophobicContact CB-CD1 3.94Å; M248-F490 HydrophobicContact CB-CD2 4.02Å; M248-F490 HydrophobicContact CB-CE1 4.26Å; M248-F490 HydrophobicContact CB-CE2 4.32Å; M248-F490 HydrophobicContact CB-CG 3.82Å; M248-F490 HydrophobicContact CB-CZ 4.45Å; M248-F490 HydrophobicContact CG-CD2 4.1Å; M248-F490 HydrophobicContact CG-CE2 4.35Å; M248-F490 HydrophobicContact CG-CG 4.37Å; Y486-F490 HydrophobicContact CD1-CD2 4.5Å; Y486-F490 HydrophobicContact CD1-CE2 4.23Å; Y486-F490 WeakPolarHBondContact O-CB 3.46Å; Y486-F490 VanDerWaalsContact O-CD2 3.31Å; Y486-F490 WeakPolarHBondContact O-CD2 3.44Å; Y486-F490 PolarHBondContact O-N 3.49Å; F490-L493 PolarHBondContact O-N 3.15Å; F490-D494 PolarHBondContact O-N 2.96Å; F490-E508 HydrophobicContact CE1-CB 3.91Å; F490-E508 HydrophobicContact CE1-CG 3.91Å; F490-E508 HydrophobicContact CZ-CB 4.08Å; F490-E508 HydrophobicContact CZ-CG 4.3Å
491	D	96.4	Very high	93.2	Very high	50 Å²	50	39.6 Å²	39.6	27%	0.267	20%	0.204	S	C	.	.	H	α-helix	trans	-64.5	-45.9	171.2	-175.3	75.1	0	0	0	111	M487 L493 D494 A495 W584	M487-D491 WeakPolarHBondContact O-CB 3.19Å; M487-D491 PolarHBondContact O-N 3.21Å; D491-L493 PolarHBondContact O-N 3.35Å; D491-D494 PolarHBondContact O-N 3.22Å; D491-D494 VanDerWaalsContact O-N 3.16Å; D491-A495 PolarHBondContact O-N 3.39Å; D491-A495 VanDerWaalsContact O-N 3.1Å; D491-W584 PolarHBondContact OD2-NE1 2.98Å
492	M	97.2	Very high	92.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-55.3	-49.1	172.1	176.9	-165.1	74.4	0	0	111.7	Y292 C296 F298 A488 V489 D494 A495 T496 F571 W584	Y292-M492 HydrophobicContact CE2-CE 4.37Å; C296-M492 HydrophobicContact CB-CE 3.88Å; C296-M492 HydrophobicContact CB-SD 4.21Å; F298-M492 HydrophobicContact CE2-SD 4.49Å; F298-M492 HydrophobicContact CZ-SD 4.27Å; A488-M492 VanDerWaalsContact O-CB 3.25Å; A488-M492 WeakPolarHBondContact O-CB 3.3Å; A488-M492 PolarHBondContact O-N 3.22Å; V489-M492 HydrophobicContact CG1-CE 4.3Å; V489-M492 WeakPolarHBondContact O-CB 3.21Å; V489-M492 PolarHBondContact O-N 2.99Å; M492-D494 VanDerWaalsContact C-N 3.31Å; M492-D494 PolarHBondContact O-N 3.44Å; M492-A495 PolarHBondContact O-N 3.23Å; M492-T496 HydrophobicContact CG-CG2 4.41Å; M492-T496 WeakPolarHBondContact O-CB 3.46Å; M492-T496 VanDerWaalsContact O-CG2 3.26Å; M492-T496 WeakPolarHBondContact O-CG2 3.33Å; M492-T496 PolarHBondContact O-N 3.16Å; M492-T496 PolarHBondContact O-OG1 3.4Å; M492-F571 HydrophobicContact CG-CE1 3.87Å; M492-F571 HydrophobicContact CG-CZ 3.6Å; M492-F571 HydrophobicContact SD-CE1 3.38Å; M492-F571 WeakPolarHBondContact SD-CE1 3.21Å; M492-F571 HydrophobicContact SD-CZ 3.58Å; M492-F571 VanDerWaalsContact SD-CZ 3.58Å; M492-W584 VanDerWaalsContact CA-CE2 3.48Å; M492-W584 HydrophobicContact CB-CD2 3.61Å; M492-W584 HydrophobicContact CB-CE3 3.96Å; M492-W584 HydrophobicContact CB-CG 3.85Å; M492-W584 HydrophobicContact CB-CZ2 4.31Å; M492-W584 HydrophobicContact CB-CZ3 4.41Å; M492-W584 HydrophobicContact CG-CD2 3.9Å; M492-W584 HydrophobicContact CG-CE3 3.7Å; M492-W584 HydrophobicContact CG-CG 4.38Å; M492-W584 HydrophobicContact CG-CZ3 4.04Å
493	L	96.1	Very high	92.3	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-70.3	-24	179.6	-67.5	176.5	0	0	0	113.2	Y292 V489 F490 D491 V497 R504 L507 E508 L512	Y292-L493 HydrophobicContact CD2-CD2 4.47Å; V489-L493 HydrophobicContact CG1-CD1 4.12Å; V489-L493 VanDerWaalsContact O-CG 3.29Å; V489-L493 WeakPolarHBondContact O-CG 3.26Å; V489-L493 PolarHBondContact O-N 2.69Å; F490-L493 PolarHBondContact O-N 3.15Å; D491-L493 PolarHBondContact O-N 3.35Å; L493-V497 HydrophobicContact CB-CG2 4.45Å; L493-V497 HydrophobicContact CD2-CG2 3.76Å; L493-V497 VanDerWaalsContact O-CB 3.28Å; L493-V497 WeakPolarHBondContact O-CB 3.2Å; L493-V497 PolarHBondContact O-N 3.37Å; L493-V497 VanDerWaalsContact O-N 3.12Å; L493-R504 PolarHBondContact O-NH2 3.37Å; L493-L507 HydrophobicContact CD1-CD2 4.27Å; L493-L507 HydrophobicContact CD2-CD2 4.02Å; L493-E508 HydrophobicContact CD1-CG 3.94Å; L493-L512 HydrophobicContact CD1-CD1 3.61Å
494	D	95.3	Very high	92.1	Very high	44 Å²	44	48.9 Å²	48.9	24%	0.235	24%	0.24	C	C	.	.	H	α-helix	trans	-69.9	-38.1	171.5	-156.1	66.1	0	0	0	111.4	A244 R247 F490 D491 M492 R499	A244-D494 HydrophobicContact CB-CB 4.03Å; R247-D494 IonicContact CZ-OD1 2.76Å; R247-D494 VanDerWaalsContact CZ-OD1 3.27Å; R247-D494 IonicContact NH1-OD1 3.21Å; R247-D494 PolarHBondContact NH1-OD1 2.93Å; R247-D494 IonicContact NH2-OD1 2.64Å; R247-D494 PolarHBondContact NH2-OD1 2.8Å; F490-D494 PolarHBondContact O-N 2.96Å; D491-D494 PolarHBondContact O-N 3.22Å; D491-D494 VanDerWaalsContact O-N 3.16Å; M492-D494 VanDerWaalsContact C-N 3.31Å; M492-D494 PolarHBondContact O-N 3.44Å; D494-R499 IonicContact OD1-NE 3.39Å; D494-R499 IonicContact OD1-NH2 3.07Å; D494-R499 IonicContact OD2-NH2 2.75Å; D494-R499 PolarHBondContact OD2-NH2 2.96Å
495	A	95.9	Very high	91.9	Very high	51 Å²	51	50.4 Å²	50.4	42%	0.421	25%	0.25	S	S	.	.	H	α-helix	trans	-78.6	-27.8	179.5	0	0	0	0	0	113.8	D491 M492 W584	D491-A495 PolarHBondContact O-N 3.39Å; D491-A495 VanDerWaalsContact O-N 3.1Å; M492-A495 PolarHBondContact O-N 3.23Å; A495-W584 HydrophobicContact CB-CH2 3.64Å; A495-W584 HydrophobicContact CB-CZ2 3.76Å
496	T	95.6	Very high	91.4	Very high	32 Å²	32	50.3 Å²	50.3	20%	0.196	25%	0.253	C	S	.	.	H	α-helix	trans	-109.8	-18.7	-169	58.6	0	0	0	0	114.5	A295 M492 H568 F571 W584	A295-T496 WeakPolarHBondContact O-CB 2.88Å; M492-T496 HydrophobicContact CG-CG2 4.41Å; M492-T496 WeakPolarHBondContact O-CB 3.46Å; M492-T496 VanDerWaalsContact O-CG2 3.26Å; M492-T496 WeakPolarHBondContact O-CG2 3.33Å; M492-T496 PolarHBondContact O-N 3.16Å; M492-T496 PolarHBondContact O-OG1 3.4Å; T496-H568 HydrophobicContact CG2-CB 3.88Å; T496-F571 HydrophobicContact CG2-CE2 3.72Å; T496-F571 HydrophobicContact CG2-CZ 4.12Å; T496-W584 HydrophobicContact CG2-CH2 4.3Å; T496-W584 HydrophobicContact CG2-CZ3 4.22Å
497	V	94	Very high	91.1	Very high	5 Å²	5	50 Å²	50	3%	0.03	25%	0.251	C	S	.	.	S	Bend	trans	-114.7	125.8	-178.4	-176.9	0	0	0	0	110.8	L291 A295 L493 R499 R504	L291-V497 HydrophobicContact CD1-CG1 4.09Å; L291-V497 HydrophobicContact CD2-CG1 3.78Å; L291-V497 HydrophobicContact CG-CG1 4.19Å; L291-V497 HydrophobicContact CG-CG2 4.48Å; A295-V497 HydrophobicContact CB-CG2 3.48Å; A295-V497 VanDerWaalsContact CB-CG2 3.48Å; L493-V497 HydrophobicContact CB-CG2 4.45Å; L493-V497 HydrophobicContact CD2-CG2 3.76Å; L493-V497 VanDerWaalsContact O-CB 3.28Å; L493-V497 WeakPolarHBondContact O-CB 3.2Å; L493-V497 PolarHBondContact O-N 3.37Å; L493-V497 VanDerWaalsContact O-N 3.12Å; V497-R499 PolarHBondContact O-N 2.73Å; V497-R504 HydrophobicContact CB-CG 4.4Å; V497-R504 HydrophobicContact CG1-CB 3.91Å; V497-R504 HydrophobicContact CG1-CG 3.68Å
498	P	87.3	Confident	91	Very high	91 Å²	91	47.2 Å²	47.2	59%	0.591	24%	0.238	S	C	*	.			trans	-55.3	134.6	175	-24.9	33.7	0	0	0	112.5	E500 S501 R504	P498-E500 VanDerWaalsContact C-N 3.27Å; P498-E500 PolarHBondContact O-N 3.4Å; P498-S501 WeakPolarHBondContact O-CB 3.14Å; P498-S501 PolarHBondContact O-N 3.29Å; P498-S501 VanDerWaalsContact O-N 3.07Å; P498-R504 WeakPolarHBondContact O-CD 3.44Å
499	R	82.3	Confident	90.6	Very high	149 Å²	149	47.7 Å²	47.7	56%	0.562	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-36.5	-177.1	-69.9	-172.8	174.9	-174.9	-3.2	113.6	D494 V497 S501	D494-R499 IonicContact OD1-NE 3.39Å; D494-R499 IonicContact OD1-NH2 3.07Å; D494-R499 IonicContact OD2-NH2 2.75Å; D494-R499 PolarHBondContact OD2-NH2 2.96Å; V497-R499 PolarHBondContact O-N 2.73Å; R499-S501 PolarHBondContact O-N 2.98Å
500	E	80.2	Confident	89.9	Confident	182 Å²	182	50.4 Å²	50.4	85%	0.85	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-0.4	-180	-54.3	-50.7	135.3	0	0	114.3	P498 R502	P498-E500 VanDerWaalsContact C-N 3.27Å; P498-E500 PolarHBondContact O-N 3.4Å; E500-R502 PolarHBondContact O-N 3.24Å; E500-R502 VanDerWaalsContact O-N 3.14Å
501	S	85.4	Confident	89.3	Confident	32 Å²	32	51.7 Å²	51.7	22%	0.224	26%	0.263	C	S	.	.			trans	-70	111.8	-178.2	174.8	0	0	0	0	111	L291 P498 R499 S503 R504	L291-S501 WeakPolarHBondContact CD2-OG 3.41Å; P498-S501 WeakPolarHBondContact O-CB 3.14Å; P498-S501 PolarHBondContact O-N 3.29Å; P498-S501 VanDerWaalsContact O-N 3.07Å; R499-S501 PolarHBondContact O-N 2.98Å; S501-S503 PolarHBondContact O-N 3.35Å; S501-R504 WeakPolarHBondContact O-CB 3.31Å; S501-R504 PolarHBondContact O-N 2.91Å; S501-R504 PolarHBondContact OG-N 3Å
502	R	82.4	Confident	88.9	Confident	207 Å²	207	50.3 Å²	50.3	78%	0.781	26%	0.256	S	S	*	.	H	α-helix	trans	-58.4	-35.5	174.5	-174.9	173.3	174.8	164.3	-1	112.6	E500 R504 L505	E500-R502 PolarHBondContact O-N 3.24Å; E500-R502 VanDerWaalsContact O-N 3.14Å; R502-R504 PolarHBondContact O-N 3.06Å; R502-L505 PolarHBondContact O-N 3.03Å
503	S	87	Confident	88.5	Confident	24 Å²	24	50.4 Å²	50.4	17%	0.168	26%	0.257	C	S	.	.	H	α-helix	trans	-68.6	-18.6	177.9	-62	0	0	0	0	113.3	K287 S501 V506 L507	K287-S503 WeakPolarHBondContact CB-OG 3.32Å; S501-S503 PolarHBondContact O-N 3.35Å; S503-V506 PolarHBondContact O-N 2.91Å; S503-L507 WeakPolarHBondContact O-CB 3.21Å; S503-L507 PolarHBondContact O-N 3.35Å
504	R	90.3	Very high	88.1	Confident	9 Å²	9	51.5 Å²	51.5	3%	0.034	26%	0.262	C	S	.	.	H	α-helix	trans	-63.8	-41.1	173.9	-170	-178.8	-170.2	-53.4	-30.2	111.9	L291 L493 V497 P498 S501 R502 V506 L507 E508	L291-R504 HydrophobicContact CD2-CB 4.33Å; L493-R504 PolarHBondContact O-NH2 3.37Å; V497-R504 HydrophobicContact CB-CG 4.4Å; V497-R504 HydrophobicContact CG1-CB 3.91Å; V497-R504 HydrophobicContact CG1-CG 3.68Å; P498-R504 WeakPolarHBondContact O-CD 3.44Å; S501-R504 WeakPolarHBondContact O-CB 3.31Å; S501-R504 PolarHBondContact O-N 2.91Å; S501-R504 PolarHBondContact OG-N 3Å; R502-R504 PolarHBondContact O-N 3.06Å; R504-V506 VanDerWaalsContact C-N 3.32Å; R504-V506 PolarHBondContact O-N 3.02Å; R504-L507 PolarHBondContact O-N 2.83Å; R504-E508 IonicContact CZ-OE1 3.89Å; R504-E508 IonicContact CZ-OE2 3.64Å; R504-E508 IonicContact NH1-OE1 3.5Å; R504-E508 PolarHBondContact NH1-OE1 3.32Å; R504-E508 IonicContact NH1-OE2 3.73Å; R504-E508 PolarHBondContact NH1-OE2 3.05Å; R504-E508 IonicContact NH2-OE1 2.76Å; R504-E508 PolarHBondContact NH2-OE1 2.96Å; R504-E508 IonicContact NH2-OE2 2.7Å; R504-E508 WeakPolarHBondContact O-CB 3.5Å; R504-E508 PolarHBondContact O-N 2.83Å
505	L	88.6	Confident	87.9	Confident	79 Å²	79	54 Å²	54	41%	0.414	27%	0.269	S	S	.	.	H	α-helix	trans	-60.1	-45.6	176.4	-174.6	74.9	0	0	0	110.5	A240 R502 E508 Q509	A240-L505 HydrophobicContact CB-CD1 3.82Å; R502-L505 PolarHBondContact O-N 3.03Å; L505-E508 PolarHBondContact O-N 3.22Å; L505-Q509 HydrophobicContact CD1-CB 4.46Å; L505-Q509 HydrophobicContact CD1-CG 3.69Å; L505-Q509 HydrophobicContact CG-CG 4.33Å; L505-Q509 WeakPolarHBondContact O-CA 3.43Å; L505-Q509 WeakPolarHBondContact O-CB 3.38Å; L505-Q509 PolarHBondContact O-N 3.06Å
506	V	86.5	Confident	87.8	Confident	27 Å²	27	51.6 Å²	51.6	16%	0.164	25%	0.248	C	C	.	.	I	π-helix	trans	-63.7	-45.2	177.1	-178.7	0	0	0	0	110.6	D284 A288 S503 R504 V510 L511	D284-V506 HydrophobicContact CB-CG1 4.48Å; D284-V506 HydrophobicContact CB-CG2 4.34Å; A288-V506 HydrophobicContact CB-CB 4.12Å; A288-V506 HydrophobicContact CB-CG1 3.87Å; S503-V506 PolarHBondContact O-N 2.91Å; R504-V506 VanDerWaalsContact C-N 3.32Å; R504-V506 PolarHBondContact O-N 3.02Å; V506-V510 HydrophobicContact CG1-CB 4.25Å; V506-V510 HydrophobicContact CG1-CG2 4.39Å; V506-V510 CarbonylContact O-C 3.53Å; V506-V510 WeakPolarHBondContact O-CA 3.35Å; V506-V510 WeakPolarHBondContact O-CB 3.44Å; V506-V510 PolarHBondContact O-N 2.93Å; V506-L511 HydrophobicContact CG1-CD1 3.98Å; V506-L511 PolarHBondContact O-N 3.42Å
507	L	89.3	Confident	87.7	Confident	3 Å²	3	50.3 Å²	50.3	2%	0.016	24%	0.24	C	C	.	.	I	π-helix	trans	-58.5	-50.5	176.7	175.9	59.3	0	0	0	112.5	A288 Y292 L493 S503 R504 L511 L512	A288-L507 HydrophobicContact CB-CB 4.13Å; Y292-L507 HydrophobicContact CD2-CD1 3.93Å; Y292-L507 HydrophobicContact CD2-CD2 4.08Å; Y292-L507 HydrophobicContact CG-CD1 4.13Å; L493-L507 HydrophobicContact CD1-CD2 4.27Å; L493-L507 HydrophobicContact CD2-CD2 4.02Å; S503-L507 WeakPolarHBondContact O-CB 3.21Å; S503-L507 PolarHBondContact O-N 3.35Å; R504-L507 PolarHBondContact O-N 2.83Å; L507-L511 HydrophobicContact CD1-CB 4.36Å; L507-L511 HydrophobicContact CD1-CD2 4.18Å; L507-L511 WeakPolarHBondContact O-CB 3.47Å; L507-L511 PolarHBondContact O-N 3.46Å; L507-L512 WeakPolarHBondContact O-CG 3.43Å; L507-L512 PolarHBondContact O-N 3.07Å
508	E	92.5	Very high	87.7	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.239	C	C	.	.	I	π-helix	trans	-79.7	-43.7	-174	-70.2	-174.7	161.5	0	0	113	R247 C251 F490 L493 R504 L505 G513	R247-E508 WeakPolarHBondContact CD-OE2 3.36Å; R247-E508 IonicContact CZ-OE1 3.83Å; R247-E508 IonicContact NE-OE1 3.57Å; R247-E508 IonicContact NE-OE2 3.43Å; R247-E508 PolarHBondContact NE-OE2 2.82Å; R247-E508 IonicContact NH2-OE1 3.02Å; C251-E508 PolarHBondContact SG-O 3.44Å; F490-E508 HydrophobicContact CE1-CB 3.91Å; F490-E508 HydrophobicContact CE1-CG 3.91Å; F490-E508 HydrophobicContact CZ-CB 4.08Å; F490-E508 HydrophobicContact CZ-CG 4.3Å; L493-E508 HydrophobicContact CD1-CG 3.94Å; R504-E508 IonicContact CZ-OE1 3.89Å; R504-E508 IonicContact CZ-OE2 3.64Å; R504-E508 IonicContact NH1-OE1 3.5Å; R504-E508 PolarHBondContact NH1-OE1 3.32Å; R504-E508 IonicContact NH1-OE2 3.73Å; R504-E508 PolarHBondContact NH1-OE2 3.05Å; R504-E508 IonicContact NH2-OE1 2.76Å; R504-E508 PolarHBondContact NH2-OE1 2.96Å; R504-E508 IonicContact NH2-OE2 2.7Å; R504-E508 WeakPolarHBondContact O-CB 3.5Å; R504-E508 PolarHBondContact O-N 2.83Å; L505-E508 PolarHBondContact O-N 3.22Å; E508-G513 WeakPolarHBondContact O-CA 3.34Å; E508-G513 PolarHBondContact O-N 3.36Å
509	Q	87.6	Confident	88	Confident	12 Å²	12	45.9 Å²	45.9	6%	0.056	21%	0.211	C	C	.	.	I	π-helix	trans	-93.8	-23.4	-170.8	-58.8	-58.9	-32.5	0	0	113.9	R247 H250 C251 R254 L505	R247-Q509 PolarHBondContact O-NE2 2.64Å; H250-Q509 PolarHBondContact CD2-OE1 2.89Å; H250-Q509 VanDerWaalsContact CD2-OE1 3.32Å; C251-Q509 PolarHBondContact SG-NE2 3.19Å; C251-Q509 PolarHBondContact SG-OE1 3.49Å; R254-Q509 PolarHBondContact NH1-O 2.76Å; L505-Q509 HydrophobicContact CD1-CB 4.46Å; L505-Q509 HydrophobicContact CD1-CG 3.69Å; L505-Q509 HydrophobicContact CG-CG 4.33Å; L505-Q509 WeakPolarHBondContact O-CA 3.43Å; L505-Q509 WeakPolarHBondContact O-CB 3.38Å; L505-Q509 PolarHBondContact O-N 3.06Å
510	V	82.5	Confident	88.6	Confident	60 Å²	60	38.9 Å²	38.9	36%	0.364	19%	0.185	S	C	.	.	I	π-helix	trans	-103.6	-65.1	177.6	-171.4	0	0	0	0	109.3	V506 H514	V506-V510 HydrophobicContact CG1-CB 4.25Å; V506-V510 HydrophobicContact CG1-CG2 4.39Å; V506-V510 CarbonylContact O-C 3.53Å; V506-V510 WeakPolarHBondContact O-CA 3.35Å; V506-V510 WeakPolarHBondContact O-CB 3.44Å; V506-V510 PolarHBondContact O-N 2.93Å; V510-H514 VanDerWaalsContact O-CB 3.26Å; V510-H514 WeakPolarHBondContact O-CB 3.44Å; V510-H514 PolarHBondContact O-CD2 3.42Å; V510-H514 PolarHBondContact O-N 2.89Å
511	L	83.1	Confident	89.4	Confident	27 Å²	27	30.7 Å²	30.7	14%	0.141	15%	0.148	C	C	.	.	I	π-helix	trans	-63.9	-64.1	-175.7	-83.6	69.2	0	0	0	112	F285 A288 V506 L507 Y515	F285-L511 HydrophobicContact CD2-CD1 3.49Å; F285-L511 VanDerWaalsContact CD2-CD1 3.49Å; F285-L511 HydrophobicContact CD2-CD2 4.12Å; F285-L511 HydrophobicContact CD2-CG 3.84Å; F285-L511 HydrophobicContact CE2-CD1 3.71Å; F285-L511 HydrophobicContact CE2-CD2 3.63Å; F285-L511 HydrophobicContact CE2-CG 3.47Å; F285-L511 VanDerWaalsContact CE2-CG 3.47Å; F285-L511 HydrophobicContact CG-CD1 4.39Å; F285-L511 HydrophobicContact CZ-CD2 3.91Å; F285-L511 HydrophobicContact CZ-CG 4.24Å; A288-L511 HydrophobicContact CB-CD1 4.09Å; A288-L511 HydrophobicContact CB-CD2 4.28Å; V506-L511 HydrophobicContact CG1-CD1 3.98Å; V506-L511 PolarHBondContact O-N 3.42Å; L507-L511 HydrophobicContact CD1-CB 4.36Å; L507-L511 HydrophobicContact CD1-CD2 4.18Å; L507-L511 WeakPolarHBondContact O-CB 3.47Å; L507-L511 PolarHBondContact O-N 3.46Å; L511-Y515 WeakPolarHBondContact O-CD2 3.38Å
512	L	88.1	Confident	89.7	Confident	22 Å²	22	29.2 Å²	29.2	12%	0.115	14%	0.138	C	C	.	.	I	π-helix	trans	-69.3	-39.3	179.2	-64.3	175.9	0	0	0	111.1	V489 L493 L507 H514 Y515 V516	V489-L512 HydrophobicContact CG1-CD1 3.78Å; L493-L512 HydrophobicContact CD1-CD1 3.61Å; L507-L512 WeakPolarHBondContact O-CG 3.43Å; L507-L512 PolarHBondContact O-N 3.07Å; L512-H514 PolarHBondContact O-N 3.43Å; L512-Y515 PolarHBondContact O-N 3.36Å; L512-Y515 VanDerWaalsContact O-N 3.07Å; L512-V516 WeakPolarHBondContact O-CG2 3.33Å; L512-V516 PolarHBondContact O-N 2.85Å
513	G	89.6	Confident	90.1	Very high	2 Å²	2	22.9 Å²	22.9	2%	0.021	12%	0.117	C	C	.	.	H	α-helix	trans	-59.1	-29.2	178.9	0	0	0	0	0	113.8	E508 F517	E508-G513 WeakPolarHBondContact O-CA 3.34Å; E508-G513 PolarHBondContact O-N 3.36Å; G513-F517 WeakPolarHBondContact O-CB 3.47Å; G513-F517 PolarHBondContact O-N 2.96Å
514	H	87.7	Confident	90	Very high	24 Å²	24	23.8 Å²	23.8	11%	0.111	13%	0.13	C	C	.	.	H	α-helix	trans	-65.4	-47.4	172.9	-76.7	-172.8	0	0	0	111.5	W268 R271 M272 V510 L512 F517 N518	W268-H514 HydrophobicContact CZ3-CB 4.06Å; W268-H514 VanDerWaalsContact CZ3-O 3.31Å; W268-H514 WeakPolarHBondContact CZ3-O 3.43Å; R271-H514 VanDerWaalsContact CZ-CD2 3.42Å; R271-H514 PolarHBondContact NE-NE2 2.98Å; R271-H514 PolarHBondContact NH2-CD2 2.7Å; R271-H514 PolarHBondContact NH2-NE2 3.27Å; M272-H514 WeakPolarHBondContact CE-ND1 3.48Å; V510-H514 VanDerWaalsContact O-CB 3.26Å; V510-H514 WeakPolarHBondContact O-CB 3.44Å; V510-H514 PolarHBondContact O-CD2 3.42Å; V510-H514 PolarHBondContact O-N 2.89Å; L512-H514 PolarHBondContact O-N 3.43Å; H514-F517 PolarHBondContact O-N 3.25Å; H514-N518 WeakPolarHBondContact O-CB 3.28Å; H514-N518 PolarHBondContact O-N 2.97Å
515	Y	89.3	Confident	89.7	Confident	97 Å²	97	29.5 Å²	29.5	38%	0.38	16%	0.158	S	C	.	.	H	α-helix	trans	-66.4	-42.8	177.5	-65.3	-73.3	0	0	0	111.9	Y486 L511 L512 F517 N518 D519 Q529	Y486-Y515 VanDerWaalsContact OH-CB 3.29Å; Y486-Y515 WeakPolarHBondContact OH-CB 3.49Å; L511-Y515 WeakPolarHBondContact O-CD2 3.38Å; L512-Y515 PolarHBondContact O-N 3.36Å; L512-Y515 VanDerWaalsContact O-N 3.07Å; Y515-F517 VanDerWaalsContact C-N 3.33Å; Y515-F517 PolarHBondContact O-N 3.2Å; Y515-N518 PolarHBondContact O-N 2.98Å; Y515-D519 WeakPolarHBondContact O-CB 3.2Å; Y515-D519 PolarHBondContact O-N 2.9Å; Y515-Q529 HydrophobicContact CD1-CG 4.04Å; Y515-Q529 HydrophobicContact CE1-CG 4.43Å
516	V	94.4	Very high	89.7	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-57.5	-48	174	173.7	0	0	0	0	111	C251 F252 Y486 L512 N518 I520	C251-V516 HydrophobicContact CB-CB 4.36Å; C251-V516 HydrophobicContact CB-CG1 4Å; F252-V516 HydrophobicContact CD2-CG1 3.41Å; F252-V516 VanDerWaalsContact CD2-CG1 3.41Å; F252-V516 HydrophobicContact CE2-CG1 3.58Å; F252-V516 HydrophobicContact CE2-CG2 4.16Å; F252-V516 HydrophobicContact CG-CG1 4.09Å; F252-V516 HydrophobicContact CZ-CG1 4.36Å; Y486-V516 HydrophobicContact CD1-CG2 3.69Å; Y486-V516 HydrophobicContact CD2-CG2 3.88Å; Y486-V516 HydrophobicContact CE1-CG2 3.42Å; Y486-V516 VanDerWaalsContact CE1-CG2 3.42Å; Y486-V516 HydrophobicContact CE2-CG2 3.63Å; Y486-V516 HydrophobicContact CG-CG2 3.9Å; L512-V516 WeakPolarHBondContact O-CG2 3.33Å; L512-V516 PolarHBondContact O-N 2.85Å; V516-N518 PolarHBondContact O-N 2.9Å; V516-I520 HydrophobicContact CG1-CD1 3.8Å; V516-I520 WeakPolarHBondContact O-CG1 3.27Å; V516-I520 PolarHBondContact O-N 3.09Å
517	F	94.8	Very high	89.9	Confident	5 Å²	5	26.2 Å²	26.2	2%	0.022	14%	0.141	C	C	.	.	H	α-helix	trans	-59.7	-48.6	-179.9	178.8	-87.6	0	0	0	111.8	R254 A258 I267 W268 G513 H514 Y515 I520 S521	R254-F517 HydrophobicContact CB-CD2 4.25Å; R254-F517 WeakPolarHBondContact O-CE2 3.47Å; A258-F517 HydrophobicContact CB-CE2 3.54Å; A258-F517 HydrophobicContact CB-CZ 3.55Å; I267-F517 HydrophobicContact CB-CE1 4.12Å; I267-F517 HydrophobicContact CB-CZ 3.68Å; I267-F517 HydrophobicContact CD1-CZ 4.34Å; I267-F517 HydrophobicContact CG2-CE1 3.85Å; I267-F517 HydrophobicContact CG2-CE2 4.06Å; I267-F517 HydrophobicContact CG2-CZ 3.37Å; W268-F517 HydrophobicContact CB-CE1 4.15Å; W268-F517 HydrophobicContact CE3-CD1 4.25Å; G513-F517 WeakPolarHBondContact O-CB 3.47Å; G513-F517 PolarHBondContact O-N 2.96Å; H514-F517 PolarHBondContact O-N 3.25Å; Y515-F517 VanDerWaalsContact C-N 3.33Å; Y515-F517 PolarHBondContact O-N 3.2Å; F517-I520 PolarHBondContact O-N 2.94Å; F517-S521 WeakPolarHBondContact CE1-OG 3.02Å; F517-S521 WeakPolarHBondContact CZ-OG 3.33Å; F517-S521 WeakPolarHBondContact O-CB 3.41Å; F517-S521 PolarHBondContact O-N 3.4Å; F517-S521 PolarHBondContact O-OG 3.3Å
518	N	93.1	Very high	89.9	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.6	-51	-179.2	-179.5	-107.5	0	0	0	111.7	W268 H514 Y515 V516 I520 S521 C522 D526 V528	W268-N518 HydrophobicContact CD2-CB 4.05Å; W268-N518 HydrophobicContact CE3-CB 3.74Å; W268-N518 HydrophobicContact CH2-CB 4.03Å; W268-N518 HydrophobicContact CZ2-CB 4.34Å; W268-N518 HydrophobicContact CZ3-CB 3.72Å; W268-N518 PolarHBondContact NE1-ND2 3.27Å; H514-N518 WeakPolarHBondContact O-CB 3.28Å; H514-N518 PolarHBondContact O-N 2.97Å; Y515-N518 PolarHBondContact O-N 2.98Å; V516-N518 PolarHBondContact O-N 2.9Å; N518-I520 PolarHBondContact O-N 2.97Å; N518-S521 PolarHBondContact O-N 2.91Å; N518-C522 PolarHBondContact ND2-SG 3.49Å; N518-C522 VanDerWaalsContact ND2-SG 3.41Å; N518-C522 VanDerWaalsContact O-CB 3.28Å; N518-C522 WeakPolarHBondContact O-CB 3.28Å; N518-C522 PolarHBondContact O-N 3.27Å; N518-D526 PolarHBondContact ND2-O 2.76Å; N518-V528 WeakPolarHBondContact OD1-CB 3.39Å; N518-V528 PolarHBondContact OD1-N 2.91Å
519	D	93.1	Very high	89.8	Confident	3 Å²	3	29 Å²	29	2%	0.016	16%	0.156	C	C	.	.	H	α-helix	trans	-63.7	-26.5	-177	-82.8	12.4	0	0	0	113.1	R469 R478 M482 Y515	R469-D519 IonicContact CZ-OD2 3.53Å; R469-D519 VanDerWaalsContact CZ-OD2 3.26Å; R469-D519 IonicContact NH1-OD2 3.01Å; R469-D519 PolarHBondContact NH1-OD2 3.31Å; R469-D519 IonicContact NH2-OD2 3.77Å; R469-D519 PolarHBondContact NH2-OD2 3.33Å; R478-D519 PolarHBondContact NH1-O 3.03Å; M482-D519 HydrophobicContact CE-CB 2.92Å; M482-D519 HydrophobicContact SD-CB 4.44Å; Y515-D519 WeakPolarHBondContact O-CB 3.2Å; Y515-D519 PolarHBondContact O-N 2.9Å
520	I	95.9	Very high	90	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-85.8	-44.6	175.9	-64	172.1	0	0	0	111.7	F252 G255 I256 R259 F479 M482 V516 F517 N518	F252-I520 HydrophobicContact CB-CD1 4.03Å; F252-I520 HydrophobicContact CD1-CD1 3.62Å; F252-I520 HydrophobicContact CD2-CD1 4.42Å; F252-I520 HydrophobicContact CE1-CD1 4.13Å; F252-I520 HydrophobicContact CG-CD1 3.78Å; G255-I520 VanDerWaalsContact C-CG2 3.48Å; I256-I520 HydrophobicContact CG1-CG2 3.9Å; R259-I520 WeakPolarHBondContact CD-O 3.21Å; R259-I520 PolarHBondContact NH1-O 3.44Å; F479-I520 HydrophobicContact CD2-CG1 4.27Å; F479-I520 HydrophobicContact CE2-CD1 4.12Å; F479-I520 HydrophobicContact CE2-CG1 4.24Å; M482-I520 HydrophobicContact CE-CD1 4.48Å; M482-I520 HydrophobicContact CE-CG1 3.79Å; M482-I520 HydrophobicContact SD-CD1 3.95Å; M482-I520 HydrophobicContact SD-CG1 3.44Å; M482-I520 WeakPolarHBondContact SD-CG1 3.04Å; V516-I520 HydrophobicContact CG1-CD1 3.8Å; V516-I520 WeakPolarHBondContact O-CG1 3.27Å; V516-I520 PolarHBondContact O-N 3.09Å; F517-I520 PolarHBondContact O-N 2.94Å; N518-I520 PolarHBondContact O-N 2.97Å
521	S	95.4	Very high	90.5	Very high	11 Å²	11	26.1 Å²	26.1	8%	0.077	14%	0.138	C	C	.	.	H	α-helix	trans	-99.3	-17.7	-164.3	70.7	0	0	0	0	114.8	G255 F517 N518	G255-S521 WeakPolarHBondContact O-CB 3.35Å; F517-S521 WeakPolarHBondContact CE1-OG 3.02Å; F517-S521 WeakPolarHBondContact CZ-OG 3.33Å; F517-S521 WeakPolarHBondContact O-CB 3.41Å; F517-S521 PolarHBondContact O-N 3.4Å; F517-S521 PolarHBondContact O-OG 3.3Å; N518-S521 PolarHBondContact O-N 2.91Å
522	C	93.1	Very high	91.1	Very high	1 Å²	1	25 Å²	25	1%	0.007	13%	0.132	C	C	.	.			trans	-105.9	154.7	-177.6	-61	0	0	0	0	112.1	R478 N518 D526 L527	R478-C522 PolarHBondContact NH1-O 3.45Å; N518-C522 PolarHBondContact ND2-SG 3.49Å; N518-C522 VanDerWaalsContact ND2-SG 3.41Å; N518-C522 VanDerWaalsContact O-CB 3.28Å; N518-C522 WeakPolarHBondContact O-CB 3.28Å; N518-C522 PolarHBondContact O-N 3.27Å; C522-D526 HydrophobicContact CB-CB 4.11Å; C522-L527 HydrophobicContact CB-CB 4.49Å
523	E	90.2	Very high	91.4	Very high	73 Å²	73	28.7 Å²	28.7	34%	0.341	15%	0.147	S	C	.	.			trans	-136.4	168.3	177.2	-62.5	-60.5	167.8	0	0	110.5	R259 R478 M525 D526 L527	R259-E523 IonicContact CZ-OE1 3.03Å; R259-E523 IonicContact NH1-OE1 3.43Å; R259-E523 PolarHBondContact NH1-OE1 3.4Å; R259-E523 IonicContact NH2-OE1 3.61Å; R259-E523 PolarHBondContact NH2-OE1 3.26Å; R478-E523 IonicContact CZ-OE1 3.73Å; R478-E523 IonicContact CZ-OE2 2.65Å; R478-E523 IonicContact NH1-OE1 2.75Å; R478-E523 IonicContact NH1-OE2 3.21Å; R478-E523 IonicContact NH2-OE1 2.76Å; R478-E523 PolarHBondContact NH2-OE1 3.05Å; R478-E523 IonicContact NH2-OE2 2.78Å; R478-E523 PolarHBondContact NH2-OE2 3.07Å; E523-M525 PolarHBondContact O-N 2.78Å; E523-D526 PolarHBondContact O-N 2.71Å; E523-L527 PolarHBondContact O-N 3.47Å
524	G	85.7	Confident	91.8	Very high	43 Å²	43	29 Å²	29	44%	0.443	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	-125.9	172.1	0	0	0	0	0	112.6	R530	G524-R530 PolarHBondContact O-NH2 2.95Å
525	M	83.5	Confident	92.2	Very high	129 Å²	129	30.1 Å²	30.1	64%	0.635	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-28.4	-177	-67.8	-60.5	-64.1	0	0	114.2	M435 E523 L527	M435-M525 HydrophobicContact CE-SD 4.21Å; M435-M525 HydrophobicContact SD-SD 3.98Å; E523-M525 PolarHBondContact O-N 2.78Å; M525-L527 VanDerWaalsContact C-N 3.33Å
526	D	88.7	Confident	92.5	Very high	37 Å²	37	29 Å²	29	20%	0.198	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-17.4	-178.9	-71.1	-50	0	0	0	112	S265 R269 N518 C522 E523 V528	S265-D526 WeakPolarHBondContact CB-OD2 3.39Å; S265-D526 PolarHBondContact OG-OD2 3.37Å; R269-D526 IonicContact CZ-OD1 3.1Å; R269-D526 IonicContact CZ-OD2 3.21Å; R269-D526 VanDerWaalsContact NH1-CG 3.28Å; R269-D526 IonicContact NH1-OD1 2.64Å; R269-D526 PolarHBondContact NH1-OD1 2.58Å; R269-D526 IonicContact NH1-OD2 2.8Å; R269-D526 PolarHBondContact NH1-OD2 3.48Å; N518-D526 PolarHBondContact ND2-O 2.76Å; C522-D526 HydrophobicContact CB-CB 4.11Å; E523-D526 PolarHBondContact O-N 2.71Å; D526-V528 PolarHBondContact O-N 3.17Å
527	L	90.6	Very high	92.6	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	15%	0.15	C	C	.	.			trans	-71.9	123.6	172.3	-178.1	57.2	0	0	0	109.8	Y471 R478 C522 E523 M525 R530	Y471-L527 HydrophobicContact CE2-CD2 3.62Å; Y471-L527 HydrophobicContact CE2-CG 4.44Å; Y471-L527 WeakPolarHBondContact OH-CD2 3.31Å; R478-L527 VanDerWaalsContact NH1-CD2 3.28Å; C522-L527 HydrophobicContact CB-CB 4.49Å; E523-L527 PolarHBondContact O-N 3.47Å; M525-L527 VanDerWaalsContact C-N 3.33Å; L527-R530 PolarHBondContact O-NH1 3.28Å; L527-R530 VanDerWaalsContact O-NH1 3.11Å; L527-R530 PolarHBondContact O-NH2 2.75Å
528	V	88.5	Confident	92.8	Very high	33 Å²	33	30.3 Å²	30.3	20%	0.2	16%	0.155	C	C	.	.			trans	-92	-54.1	-170	176.9	0	0	0	0	111	W268 V433 N518 D526 R530	W268-V528 HydrophobicContact CZ2-CG2 3.6Å; V433-V528 WeakPolarHBondContact CA-O 3.49Å; V433-V528 HydrophobicContact CG1-CG1 4.15Å; V433-V528 HydrophobicContact CG2-CG1 4.05Å; N518-V528 WeakPolarHBondContact OD1-CB 3.39Å; N518-V528 PolarHBondContact OD1-N 2.91Å; D526-V528 PolarHBondContact O-N 3.17Å; V528-R530 PolarHBondContact O-NH1 3.24Å
529	Q	90.3	Very high	93	Very high	29 Å²	29	32.8 Å²	32.8	14%	0.136	18%	0.175	C	C	.	.			trans	-93.8	122.2	-171.9	-65.7	-69	-42	0	0	111	S432 Y515	S432-Q529 PolarHBondContact OG-OE1 3.42Å; Y515-Q529 HydrophobicContact CD1-CG 4.04Å; Y515-Q529 HydrophobicContact CE1-CG 4.43Å
530	R	92.7	Very high	93.1	Very high	9 Å²	9	33.7 Å²	33.7	3%	0.034	18%	0.179	C	C	.	.			trans	-125.1	68.2	173.6	-62.7	175.9	-163.4	68.9	6.7	109	S432 V433 M435 R447 Y471 G524 L527 V528	S432-R530 CarbonylContact O-C 3.52Å; S432-R530 WeakPolarHBondContact O-CA 3.39Å; S432-R530 WeakPolarHBondContact O-CB 3.39Å; S432-R530 PolarHBondContact O-N 3.22Å; V433-R530 PolarHBondContact O-NH1 2.7Å; M435-R530 PolarHBondContact SD-NH2 3.26Å; R447-R530 PolarHBondContact NH1-O 2.83Å; R447-R530 PolarHBondContact NH2-O 2.9Å; Y471-R530 HydrophobicContact CD2-CB 3.99Å; Y471-R530 HydrophobicContact CD2-CG 4.03Å; Y471-R530 HydrophobicContact CE2-CB 4.23Å; Y471-R530 HydrophobicContact CE2-CG 3.74Å; Y471-R530 HydrophobicContact CG-CB 4.38Å; G524-R530 PolarHBondContact O-NH2 2.95Å; L527-R530 PolarHBondContact O-NH1 3.28Å; L527-R530 VanDerWaalsContact O-NH1 3.11Å; L527-R530 PolarHBondContact O-NH2 2.75Å; V528-R530 PolarHBondContact O-NH1 3.24Å
531	P	93.2	Very high	93.2	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	18%	0.178	C	C	.	.			trans	-70.2	151.7	-174.1	30.5	-33.3	0	0	0	111.6	R469 Y471	R469-P531 HydrophobicContact CB-CB 4.25Å; R469-P531 HydrophobicContact CB-CG 3.96Å; R469-P531 HydrophobicContact CG-CG 4.17Å; R469-P531 VanDerWaalsContact NE-CG 3.28Å; R469-P531 CarbonylContact O-C 3.52Å; R469-P531 VanDerWaalsContact O-CB 3.31Å; R469-P531 WeakPolarHBondContact O-CB 3.42Å; R469-P531 VanDerWaalsContact O-O 3.1Å; Y471-P531 WeakPolarHBondContact CB-O 3.49Å; Y471-P531 PolarHBondContact N-O 2.9Å
532	E	94.3	Very high	93.3	Very high	3 Å²	3	40 Å²	40	1%	0.014	20%	0.201	C	C	.	.			trans	-121.9	147.5	172	-92.8	179.3	-150.4	0	0	107.8	R447 R469 Q536 R540	R447-E532 IonicContact CZ-OE1 2.7Å; R447-E532 VanDerWaalsContact NH1-CG 3.25Å; R447-E532 IonicContact NH1-OE1 3.79Å; R447-E532 PolarHBondContact NH1-OE1 3.17Å; R469-E532 CarbonylContact O-C 3.59Å; R469-E532 PolarHBondContact O-N 3.2Å; E532-Q536 HydrophobicContact CB-CB 4.05Å; E532-Q536 HydrophobicContact CG-CB 4.18Å; E532-Q536 WeakPolarHBondContact OE2-CB 3.35Å; E532-R540 IonicContact OE1-CZ 3.63Å; E532-R540 IonicContact OE1-NE 3.85Å; E532-R540 PolarHBondContact OE1-NE 2.93Å; E532-R540 IonicContact OE1-NH2 3.97Å; E532-R540 PolarHBondContact OE1-NH2 2.85Å; E532-R540 WeakPolarHBondContact OE2-CD 3.29Å; E532-R540 IonicContact OE2-NE 2.73Å; E532-R540 PolarHBondContact OE2-NE 3.45Å
533	K	95.7	Very high	93.4	Very high	101 Å²	101	48.9 Å²	48.9	44%	0.439	23%	0.234	S	C	.	.			trans	-61.8	152.4	172.3	-69.5	-176.2	177.9	176.6	0	109.7	N468 R535 Q536 W537	N468-K533 WeakPolarHBondContact OD1-CA 3.47Å; K533-R535 PolarHBondContact O-N 3.39Å; K533-R535 VanDerWaalsContact O-N 3.14Å; K533-Q536 WeakPolarHBondContact O-CB 3.27Å; K533-Q536 PolarHBondContact O-N 3.19Å; K533-W537 PolarHBondContact O-N 3.25Å
534	Y	97.5	Very high	93.7	Very high	7 Å²	7	46.3 Å²	46.3	3%	0.027	23%	0.225	C	C	.	.	H	α-helix	trans	-59.8	-29.5	-178.3	70.5	-86.6	0	0	0	113.2	L76 N468 W537 Q538 D576 W579 L581 A591	L76-Y534 WeakPolarHBondContact CD2-OH 3.23Å; N468-Y534 HydrophobicContact CB-CD1 4.5Å; N468-Y534 VanDerWaalsContact OD1-CD1 3.27Å; N468-Y534 WeakPolarHBondContact OD1-CD1 3.5Å; N468-Y534 PolarHBondContact OD1-N 3.09Å; Y534-W537 PolarHBondContact O-N 3.49Å; Y534-Q538 WeakPolarHBondContact O-CB 3.39Å; Y534-Q538 PolarHBondContact O-N 2.88Å; Y534-D576 HydrophobicContact CE2-CB 4.37Å; Y534-D576 PolarHBondContact OH-OD2 3.42Å; Y534-W579 HydrophobicContact CD2-CB 4.29Å; Y534-W579 AromaticContact CD2-CD1 3.66Å; Y534-W579 AromaticContact CD2-CD2 3.75Å; Y534-W579 HydrophobicContact CD2-CD2 3.75Å; Y534-W579 AromaticContact CD2-CE2 3.8Å; Y534-W579 HydrophobicContact CD2-CE3 4.4Å; Y534-W579 AromaticContact CD2-CG 3.67Å; Y534-W579 HydrophobicContact CD2-CG 3.67Å; Y534-W579 HydrophobicContact CD2-CZ2 4.47Å; Y534-W579 AromaticContact CD2-NE1 3.73Å; Y534-W579 HydrophobicContact CE2-CG 4.23Å; Y534-W579 HydrophobicContact CG-CD2 4.23Å; Y534-W579 HydrophobicContact CG-CE3 4.44Å; Y534-W579 HydrophobicContact CG-CG 4.49Å; Y534-W579 VanDerWaalsContact O-CZ2 3.22Å; Y534-W579 WeakPolarHBondContact O-CZ2 3.38Å; Y534-L581 HydrophobicContact CD1-CD2 4.04Å; Y534-L581 HydrophobicContact CD2-CD2 4.49Å; Y534-L581 HydrophobicContact CE1-CD1 4.32Å; Y534-L581 HydrophobicContact CE1-CD2 4.09Å; Y534-L581 HydrophobicContact CE2-CD2 4.49Å; Y534-L581 HydrophobicContact CG-CD2 4.27Å; Y534-A591 HydrophobicContact CD1-CB 4.21Å; Y534-A591 HydrophobicContact CG-CB 4Å
535	R	96.9	Very high	94.2	Very high	49 Å²	49	44.9 Å²	44.9	19%	0.185	21%	0.211	C	C	.	.	H	α-helix	trans	-66	-34.4	174.1	-66.8	-165.7	-178.2	144.6	10.6	113.2	D72 K533 Q538 A539 D576	D72-R535 IonicContact OD1-CZ 3.72Å; D72-R535 IonicContact OD1-NH1 3.19Å; D72-R535 PolarHBondContact OD1-NH1 3.34Å; D72-R535 IonicContact OD1-NH2 3.3Å; D72-R535 PolarHBondContact OD1-NH2 2.92Å; K533-R535 PolarHBondContact O-N 3.39Å; K533-R535 VanDerWaalsContact O-N 3.14Å; R535-Q538 WeakPolarHBondContact O-CB 3.2Å; R535-Q538 PolarHBondContact O-N 3Å; R535-A539 PolarHBondContact O-N 3.13Å; R535-D576 IonicContact CZ-OD2 2.83Å; R535-D576 IonicContact NE-OD2 3.97Å; R535-D576 IonicContact NH2-OD2 2.74Å; R535-D576 PolarHBondContact NH2-OD2 2.84Å
536	Q	95.4	Very high	94.9	Very high	74 Å²	74	38.9 Å²	38.9	35%	0.346	18%	0.181	S	C	.	.	H	α-helix	trans	-67.5	-45.6	174	-63.5	172.5	-86.6	0	0	110.2	E532 K533 Q538 A539 R540	E532-Q536 HydrophobicContact CB-CB 4.05Å; E532-Q536 HydrophobicContact CG-CB 4.18Å; E532-Q536 WeakPolarHBondContact OE2-CB 3.35Å; K533-Q536 WeakPolarHBondContact O-CB 3.27Å; K533-Q536 PolarHBondContact O-N 3.19Å; Q536-Q538 VanDerWaalsContact C-N 3.27Å; Q536-Q538 PolarHBondContact O-N 3.33Å; Q536-A539 PolarHBondContact O-N 3.41Å; Q536-A539 VanDerWaalsContact O-N 3.17Å; Q536-R540 PolarHBondContact O-N 3.33Å
537	W	97.1	Very high	95.3	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.015	19%	0.193	C	C	.	.	H	α-helix	trans	-59.4	-37.7	171.4	-77	109.2	0	0	0	112.6	F431 R447 L451 V466 K533 Y534 A539 R540 N541 W579	F431-W537 HydrophobicContact CB-CH2 3.58Å; F431-W537 HydrophobicContact CB-CZ2 3.97Å; F431-W537 HydrophobicContact CB-CZ3 4.3Å; F431-W537 HydrophobicContact CD2-CH2 4.32Å; F431-W537 HydrophobicContact CD2-CZ3 4.23Å; F431-W537 HydrophobicContact CG-CH2 4.44Å; R447-W537 HydrophobicContact CB-CH2 4.4Å; R447-W537 HydrophobicContact CG-CH2 4.08Å; L451-W537 HydrophobicContact CD1-CE3 4.35Å; L451-W537 HydrophobicContact CD1-CZ3 4.14Å; V466-W537 HydrophobicContact CG1-CD2 4.35Å; V466-W537 HydrophobicContact CG1-CG 3.91Å; K533-W537 PolarHBondContact O-N 3.25Å; Y534-W537 PolarHBondContact O-N 3.49Å; W537-A539 PolarHBondContact O-N 3.12Å; W537-R540 PolarHBondContact O-N 3.37Å; W537-N541 WeakPolarHBondContact O-CB 3.42Å; W537-N541 VanDerWaalsContact O-CG 3.27Å; W537-N541 PolarHBondContact O-N 3.46Å; W537-N541 PolarHBondContact O-ND2 3.47Å; W537-W579 HydrophobicContact CB-CH2 4.21Å
538	Q	97.9	Very high	95.7	Very high	28 Å²	28	44.1 Å²	44.1	13%	0.131	20%	0.199	C	C	.	.	H	α-helix	trans	-60.6	-44.7	175.8	-168.7	172	29.2	0	0	111.5	Y534 R535 Q536 R542 W579 W595	Y534-Q538 WeakPolarHBondContact O-CB 3.39Å; Y534-Q538 PolarHBondContact O-N 2.88Å; R535-Q538 WeakPolarHBondContact O-CB 3.2Å; R535-Q538 PolarHBondContact O-N 3Å; Q536-Q538 VanDerWaalsContact C-N 3.27Å; Q536-Q538 PolarHBondContact O-N 3.33Å; Q538-R542 VanDerWaalsContact NE2-NH2 3.11Å; Q538-R542 WeakPolarHBondContact O-CG 3.26Å; Q538-R542 PolarHBondContact O-N 3.4Å; Q538-R542 VanDerWaalsContact O-N 3.11Å; Q538-W579 HydrophobicContact CB-CZ2 4.04Å; Q538-W595 HydrophobicContact CB-CH2 4.47Å; Q538-W595 HydrophobicContact CG-CH2 3.94Å
539	A	96.7	Very high	96.2	Very high	51 Å²	51	44.5 Å²	44.5	42%	0.421	20%	0.2	S	C	.	.	H	α-helix	trans	-64.3	-45.8	175.6	0	0	0	0	0	112	R535 Q536 W537 R542 R543	R535-A539 PolarHBondContact O-N 3.13Å; Q536-A539 PolarHBondContact O-N 3.41Å; Q536-A539 VanDerWaalsContact O-N 3.17Å; W537-A539 PolarHBondContact O-N 3.12Å; A539-R542 PolarHBondContact O-N 2.87Å; A539-R543 WeakPolarHBondContact O-CB 3.11Å; A539-R543 PolarHBondContact O-N 3.09Å
540	R	95.8	Very high	96.5	Very high	23 Å²	23	47.1 Å²	47.1	9%	0.087	22%	0.219	C	C	.	.	H	α-helix	trans	-60.4	-46.6	177.1	-70.9	-171	-178	-86.2	3.2	112.3	D448 L451 E532 Q536 W537 R542 R543 A544	D448-R540 VanDerWaalsContact CG-NH1 3.31Å; D448-R540 IonicContact OD1-CZ 3.27Å; D448-R540 IonicContact OD1-NH1 3.51Å; D448-R540 PolarHBondContact OD1-NH1 2.92Å; D448-R540 IonicContact OD2-NH1 3.36Å; D448-R540 PolarHBondContact OD2-NH1 3.25Å; L451-R540 HydrophobicContact CD1-CB 3.66Å; E532-R540 IonicContact OE1-CZ 3.63Å; E532-R540 IonicContact OE1-NE 3.85Å; E532-R540 PolarHBondContact OE1-NE 2.93Å; E532-R540 IonicContact OE1-NH2 3.97Å; E532-R540 PolarHBondContact OE1-NH2 2.85Å; E532-R540 WeakPolarHBondContact OE2-CD 3.29Å; E532-R540 IonicContact OE2-NE 2.73Å; E532-R540 PolarHBondContact OE2-NE 3.45Å; Q536-R540 PolarHBondContact O-N 3.33Å; W537-R540 PolarHBondContact O-N 3.37Å; R540-R542 PolarHBondContact O-N 3.24Å; R540-R543 PolarHBondContact O-N 2.9Å; R540-A544 VanDerWaalsContact O-CB 3.32Å; R540-A544 WeakPolarHBondContact O-CB 3.32Å; R540-A544 PolarHBondContact O-N 3.11Å
541	N	98.1	Very high	96.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-59.7	-46.6	177.8	-76.1	-46.6	0	0	0	111.7	L451 Q464 W537 A544 G545 L546 W595	L451-N541 VanDerWaalsContact CD2-OD1 3.27Å; L451-N541 WeakPolarHBondContact CD2-OD1 3.37Å; Q464-N541 PolarHBondContact OE1-ND2 3Å; W537-N541 WeakPolarHBondContact O-CB 3.42Å; W537-N541 VanDerWaalsContact O-CG 3.27Å; W537-N541 PolarHBondContact O-N 3.46Å; W537-N541 PolarHBondContact O-ND2 3.47Å; N541-A544 CarbonylContact O-C 3.58Å; N541-A544 PolarHBondContact O-N 3.33Å; N541-G545 PolarHBondContact O-N 2.99Å; N541-L546 HydrophobicContact CB-CB 4.28Å; N541-L546 HydrophobicContact CB-CD1 4.31Å; N541-L546 WeakPolarHBondContact O-CB 3.48Å; N541-L546 PolarHBondContact O-N 2.95Å; N541-L546 WeakPolarHBondContact OD1-CD1 3.22Å; N541-W595 HydrophobicContact CB-CD2 3.95Å; N541-W595 HydrophobicContact CB-CE3 3.81Å; N541-W595 HydrophobicContact CB-CH2 3.5Å; N541-W595 HydrophobicContact CB-CZ2 3.63Å; N541-W595 HydrophobicContact CB-CZ3 3.58Å; N541-W595 VanDerWaalsContact ND2-CE2 3.32Å; N541-W595 VanDerWaalsContact ND2-CZ2 3.28Å; N541-W595 WeakPolarHBondContact ND2-CZ2 3.47Å; N541-W595 PolarHBondContact ND2-NE1 3.11Å
542	R	97.1	Very high	96.8	Very high	144 Å²	144	51.8 Å²	51.8	54%	0.543	24%	0.24	S	C	.	.	H	α-helix	trans	-62.2	-45.2	177	-73.4	176.3	-177	161.1	0.5	112.1	Q538 A539 R540 A544 G545 W595	Q538-R542 VanDerWaalsContact NE2-NH2 3.11Å; Q538-R542 WeakPolarHBondContact O-CG 3.26Å; Q538-R542 PolarHBondContact O-N 3.4Å; Q538-R542 VanDerWaalsContact O-N 3.11Å; A539-R542 PolarHBondContact O-N 2.87Å; R540-R542 PolarHBondContact O-N 3.24Å; R542-A544 VanDerWaalsContact C-N 3.28Å; R542-A544 PolarHBondContact O-N 3.43Å; R542-G545 WeakPolarHBondContact O-CA 3.44Å; R542-G545 PolarHBondContact O-N 3.32Å; R542-W595 HydrophobicContact CG-CZ3 4.21Å
543	R	95.5	Very high	96.9	Very high	188 Å²	188	56.7 Å²	56.7	71%	0.709	27%	0.273	S	S	*	.	H	α-helix	trans	-61.4	-38.4	176.8	-175.1	-173.9	-63.6	164.1	-2.5	111.8	A539 R540 G545	A539-R543 WeakPolarHBondContact O-CB 3.11Å; A539-R543 PolarHBondContact O-N 3.09Å; R540-R543 PolarHBondContact O-N 2.9Å; R543-G545 PolarHBondContact O-N 3.35Å
544	A	96.3	Very high	96.8	Very high	19 Å²	19	53.2 Å²	53.2	16%	0.157	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-1.8	173.3	0	0	0	0	0	113	L451 R455 R540 N541 R542	L451-A544 HydrophobicContact CB-CB 3.63Å; R455-A544 WeakPolarHBondContact CD-O 3.49Å; R540-A544 VanDerWaalsContact O-CB 3.32Å; R540-A544 WeakPolarHBondContact O-CB 3.32Å; R540-A544 PolarHBondContact O-N 3.11Å; N541-A544 CarbonylContact O-C 3.58Å; N541-A544 PolarHBondContact O-N 3.33Å; R542-A544 VanDerWaalsContact C-N 3.28Å; R542-A544 PolarHBondContact O-N 3.43Å
545	G	96.7	Very high	96.8	Very high	13 Å²	13	53 Å²	53	13%	0.134	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	30.9	178.4	0	0	0	0	0	113.8	R455 N541 R542 R543 D598	R455-G545 VanDerWaalsContact NH1-C 3.34Å; R455-G545 PolarHBondContact NH1-O 2.96Å; N541-G545 PolarHBondContact O-N 2.99Å; R542-G545 WeakPolarHBondContact O-CA 3.44Å; R542-G545 PolarHBondContact O-N 3.32Å; R543-G545 PolarHBondContact O-N 3.35Å; G545-D598 PolarHBondContact O-N 2.85Å; G545-D598 VanDerWaalsContact O-N 3.16Å
546	L	98.4	Very high	96.8	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.01	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	130.9	170.6	-61.5	164.4	0	0	0	108.8	L451 V454 R455 F462 N541 W595 V596 A597	L451-L546 HydrophobicContact CD2-CD1 4.2Å; V454-L546 HydrophobicContact CG1-CD2 4.5Å; R455-L546 HydrophobicContact CB-CD2 4.13Å; F462-L546 HydrophobicContact CD1-CD1 3.97Å; F462-L546 HydrophobicContact CE1-CD1 4.18Å; N541-L546 HydrophobicContact CB-CB 4.28Å; N541-L546 HydrophobicContact CB-CD1 4.31Å; N541-L546 WeakPolarHBondContact O-CB 3.48Å; N541-L546 PolarHBondContact O-N 2.95Å; N541-L546 WeakPolarHBondContact OD1-CD1 3.22Å; L546-W595 HydrophobicContact CB-CB 4.25Å; L546-W595 HydrophobicContact CB-CD2 4.43Å; L546-W595 HydrophobicContact CB-CE3 3.97Å; L546-W595 WeakPolarHBondContact O-CZ3 3.19Å; L546-V596 CarbonylContact C-O 3.51Å; L546-V596 WeakPolarHBondContact CA-O 3.49Å; L546-A597 HydrophobicContact CD2-CB 4.38Å
547	R	97.8	Very high	96.7	Very high	121 Å²	121	51 Å²	51	46%	0.457	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	130.4	176.6	-178.4	178.4	59.3	74.9	-5	110.8	L549 W595 V596 D598	R547-L549 PolarHBondContact O-N 3.23Å; R547-W595 VanDerWaalsContact C-CE3 3.44Å; R547-W595 CarbonylContact O-C 3.42Å; R547-W595 VanDerWaalsContact O-CA 3.28Å; R547-W595 WeakPolarHBondContact O-CA 3.5Å; R547-V596 HydrophobicContact CB-CG1 4.35Å; R547-V596 PolarHBondContact N-O 2.87Å; R547-V596 VanDerWaalsContact NH2-CG1 3.26Å; R547-V596 PolarHBondContact O-N 3.08Å; R547-D598 WeakPolarHBondContact CB-OD1 3.42Å; R547-D598 WeakPolarHBondContact CD-OD1 3.44Å; R547-D598 IonicContact NE-OD1 3.93Å; R547-D598 PolarHBondContact NE-OD1 3.32Å
548	Q	98.2	Very high	96.6	Very high	28 Å²	28	50.9 Å²	50.9	13%	0.131	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	133	-179.1	-155.6	169.7	13.6	0	0	110	Q578 T593 W595	Q548-Q578 HydrophobicContact CG-CB 3.87Å; Q548-Q578 PolarHBondContact NE2-O 2.88Å; Q548-T593 WeakPolarHBondContact CG-OG1 3.49Å; Q548-T593 PolarHBondContact NE2-OG1 2.95Å; Q548-W595 VanDerWaalsContact CA-CE3 3.42Å; Q548-W595 HydrophobicContact CB-CD2 4.25Å; Q548-W595 HydrophobicContact CB-CE3 3.74Å; Q548-W595 HydrophobicContact CB-CH2 3.95Å; Q548-W595 HydrophobicContact CB-CZ2 4.45Å; Q548-W595 HydrophobicContact CB-CZ3 3.58Å; Q548-W595 HydrophobicContact CG-CD2 4.24Å; Q548-W595 HydrophobicContact CG-CE3 4.2Å; Q548-W595 HydrophobicContact CG-CH2 4.03Å; Q548-W595 HydrophobicContact CG-CZ2 4.07Å; Q548-W595 HydrophobicContact CG-CZ3 4.11Å
549	L	98	Very high	96.6	Very high	41 Å²	41	49.5 Å²	49.5	22%	0.215	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-83.1	148.3	172.6	-68.9	173.3	0	0	0	109.9	V461 R547 A594 V596	V461-L549 HydrophobicContact CG1-CD1 4.02Å; V461-L549 HydrophobicContact CG2-CD1 4.08Å; R547-L549 PolarHBondContact O-N 3.23Å; L549-A594 HydrophobicContact CB-CB 4.23Å; L549-A594 HydrophobicContact CD1-CB 4.15Å; L549-A594 PolarHBondContact N-O 3.27Å; L549-V596 HydrophobicContact CD2-CB 4.23Å; L549-V596 HydrophobicContact CD2-CG1 3.87Å; L549-V596 HydrophobicContact CG-CB 4.4Å; L549-V596 HydrophobicContact CG-CG1 4.36Å
550	P	97.7	Very high	96.5	Very high	83 Å²	83	51.1 Å²	51.1	54%	0.539	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-67.2	136.9	178.2	27.7	-34	0	0	0	111.3	K552 Q578	P550-K552 PolarHBondContact O-N 3.06Å; P550-Q578 VanDerWaalsContact CA-OE1 3.25Å
551	L	97.1	Very high	96.3	Very high	19 Å²	19	51.9 Å²	51.9	10%	0.099	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-68.5	116.3	174.7	-180	60	0	0	0	109.4	F305 V556 Q575 L580	F305-L551 HydrophobicContact CD2-CD1 4.34Å; F305-L551 HydrophobicContact CE2-CD1 3.72Å; L551-V556 HydrophobicContact CD1-CG2 4.14Å; L551-V556 HydrophobicContact CD2-CG2 3.69Å; L551-V556 HydrophobicContact CG-CG2 3.64Å; L551-Q575 HydrophobicContact CD2-CB 4.48Å; L551-Q575 HydrophobicContact CD2-CG 3.75Å; L551-L580 HydrophobicContact CD1-CB 4.14Å; L551-L580 HydrophobicContact CD2-CB 3.98Å; L551-L580 HydrophobicContact CD2-CD1 4.26Å
552	K	95.1	Very high	96.1	Very high	89 Å²	89	51.9 Å²	51.9	39%	0.387	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-77.7	133.6	-174	-58.6	-150.6	-164.2	151.7	0	111.7	P550 S554 I555 V556	P550-K552 PolarHBondContact O-N 3.06Å; K552-S554 PolarHBondContact O-N 3.47Å; K552-S554 VanDerWaalsContact O-N 3.13Å; K552-I555 HydrophobicContact CB-CD1 4.3Å; K552-I555 HydrophobicContact CB-CG1 4.22Å; K552-I555 WeakPolarHBondContact O-CB 3.48Å; K552-I555 PolarHBondContact O-N 3.32Å; K552-V556 PolarHBondContact O-N 3.06Å
553	P	95.6	Very high	96	Very high	107 Å²	107	45.4 Å²	45.4	70%	0.695	23%	0.227	S	C	*	.	H	α-helix	trans	-57	-31.9	179.9	-28	35.1	0	0	0	114.5	I555 V556 K557	P553-I555 VanDerWaalsContact C-N 3.34Å; P553-I555 PolarHBondContact O-N 3.46Å; P553-V556 PolarHBondContact O-N 3.12Å; P553-K557 WeakPolarHBondContact O-CB 3.5Å; P553-K557 PolarHBondContact O-N 3Å
554	S	95.1	Very high	95.9	Very high	28 Å²	28	42 Å²	42	20%	0.196	23%	0.227	C	C	.	.	H	α-helix	trans	-66.2	-34.7	177	55	0	0	0	0	112.9	Q312 K552 A558	Q312-S554 PolarHBondContact NE2-OG 2.92Å; K552-S554 PolarHBondContact O-N 3.47Å; K552-S554 VanDerWaalsContact O-N 3.13Å; S554-A558 WeakPolarHBondContact O-CB 3.39Å; S554-A558 PolarHBondContact O-N 2.78Å; S554-A558 VanDerWaalsContact O-N 3.07Å
555	I	96.3	Very high	95.7	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.015	24%	0.243	C	C	.	.	H	α-helix	trans	-69.6	-46.3	175.8	-59.1	-178	0	0	0	109.6	F305 M308 K552 P553 K557 A558 V559	F305-I555 HydrophobicContact CB-CG2 4.46Å; F305-I555 HydrophobicContact CD2-CG2 3.81Å; M308-I555 HydrophobicContact CB-CD1 4.01Å; M308-I555 HydrophobicContact CB-CG1 3.74Å; M308-I555 HydrophobicContact CE-CG1 4.12Å; M308-I555 HydrophobicContact SD-CB 4.44Å; M308-I555 HydrophobicContact SD-CG1 4.16Å; K552-I555 HydrophobicContact CB-CD1 4.3Å; K552-I555 HydrophobicContact CB-CG1 4.22Å; K552-I555 WeakPolarHBondContact O-CB 3.48Å; K552-I555 PolarHBondContact O-N 3.32Å; P553-I555 VanDerWaalsContact C-N 3.34Å; P553-I555 PolarHBondContact O-N 3.46Å; I555-K557 PolarHBondContact O-N 3.39Å; I555-A558 PolarHBondContact O-N 3.42Å; I555-V559 WeakPolarHBondContact O-CG2 3.33Å; I555-V559 PolarHBondContact O-N 3.39Å
556	V	96.1	Very high	95.5	Very high	8 Å²	8	50.5 Å²	50.5	5%	0.048	26%	0.258	C	S	.	.	H	α-helix	trans	-56.5	-51.3	176.3	179.6	0	0	0	0	110.4	L551 K552 P553 A558 V559 E560 L580	L551-V556 HydrophobicContact CD1-CG2 4.14Å; L551-V556 HydrophobicContact CD2-CG2 3.69Å; L551-V556 HydrophobicContact CG-CG2 3.64Å; K552-V556 PolarHBondContact O-N 3.06Å; P553-V556 PolarHBondContact O-N 3.12Å; V556-A558 VanDerWaalsContact C-N 3.33Å; V556-A558 PolarHBondContact O-N 3.24Å; V556-V559 PolarHBondContact O-N 3.45Å; V556-V559 VanDerWaalsContact O-N 3.15Å; V556-E560 HydrophobicContact CG1-CG 4.16Å; V556-E560 WeakPolarHBondContact CG1-OE1 3.43Å; V556-E560 WeakPolarHBondContact O-CB 3.43Å; V556-E560 WeakPolarHBondContact O-CG 3.44Å; V556-E560 PolarHBondContact O-N 3.37Å; V556-L580 HydrophobicContact CG2-CD1 4.44Å
557	K	95.2	Very high	95.3	Very high	73 Å²	73	51.8 Å²	51.8	32%	0.317	26%	0.263	S	S	.	.	H	α-helix	trans	-57.3	-44.4	178.8	-175.7	-179.5	173	-167.4	0	111.9	V176 D179 P553 I555 V559 E560 D561	V176-K557 HydrophobicContact CG1-CD 4.39Å; V176-K557 HydrophobicContact CG2-CG 4.47Å; D179-K557 IonicContact OD2-NZ 2.84Å; D179-K557 PolarHBondContact OD2-NZ 2.74Å; P553-K557 WeakPolarHBondContact O-CB 3.5Å; P553-K557 PolarHBondContact O-N 3Å; I555-K557 PolarHBondContact O-N 3.39Å; K557-V559 VanDerWaalsContact C-N 3.34Å; K557-V559 PolarHBondContact O-N 2.9Å; K557-E560 PolarHBondContact O-N 3.25Å; K557-D561 VanDerWaalsContact O-CB 3.25Å; K557-D561 WeakPolarHBondContact O-CB 3.36Å; K557-D561 PolarHBondContact O-N 3.18Å
558	A	95	Very high	95.2	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.7	-39.6	179.1	0	0	0	0	0	112.6	M173 V176 I304 M308 S554 I555 V556 E562	M173-A558 HydrophobicContact CG-CB 4.48Å; V176-A558 HydrophobicContact CG2-CB 3.95Å; I304-A558 HydrophobicContact CG2-CB 3.9Å; M308-A558 HydrophobicContact CE-CB 4.35Å; M308-A558 HydrophobicContact SD-CB 3.54Å; M308-A558 VanDerWaalsContact SD-CB 3.54Å; S554-A558 WeakPolarHBondContact O-CB 3.39Å; S554-A558 PolarHBondContact O-N 2.78Å; S554-A558 VanDerWaalsContact O-N 3.07Å; I555-A558 PolarHBondContact O-N 3.42Å; V556-A558 VanDerWaalsContact C-N 3.33Å; V556-A558 PolarHBondContact O-N 3.24Å; A558-E562 WeakPolarHBondContact O-CB 3.34Å; A558-E562 PolarHBondContact O-N 2.67Å
559	V	96	Very high	95.1	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-68.4	-48.3	176.8	167.6	0	0	0	0	111.2	V301 I304 I555 V556 K557 D561 E562 V563 V573 L580	V301-V559 HydrophobicContact CB-CG1 4.36Å; V301-V559 HydrophobicContact CG1-CG1 3.66Å; V301-V559 HydrophobicContact CG1-CG2 4.12Å; V301-V559 HydrophobicContact CG2-CG1 3.9Å; I304-V559 HydrophobicContact CB-CG2 4.08Å; I304-V559 HydrophobicContact CG2-CG2 3.65Å; I555-V559 WeakPolarHBondContact O-CG2 3.33Å; I555-V559 PolarHBondContact O-N 3.39Å; V556-V559 PolarHBondContact O-N 3.45Å; V556-V559 VanDerWaalsContact O-N 3.15Å; K557-V559 VanDerWaalsContact C-N 3.34Å; K557-V559 PolarHBondContact O-N 2.9Å; V559-D561 VanDerWaalsContact C-N 3.32Å; V559-D561 PolarHBondContact O-N 3.09Å; V559-E562 PolarHBondContact O-N 2.97Å; V559-V563 HydrophobicContact CG1-CG2 4.47Å; V559-V563 WeakPolarHBondContact O-CG2 3.45Å; V559-V563 PolarHBondContact O-N 2.89Å; V559-V573 HydrophobicContact CG1-CB 4.4Å; V559-V573 HydrophobicContact CG1-CG1 3.74Å; V559-V573 HydrophobicContact CG1-CG2 3.76Å; V559-L580 HydrophobicContact CB-CD2 4.44Å; V559-L580 HydrophobicContact CG1-CD2 4.24Å; V559-L580 HydrophobicContact CG2-CD2 4Å
560	E	94.8	Very high	95.1	Very high	84 Å²	84	57 Å²	57	39%	0.393	28%	0.284	S	S	.	.	H	α-helix	trans	-60	-42.8	178.2	-73.8	178.3	166.6	0	0	111.6	V556 K557 T564 V573	V556-E560 HydrophobicContact CG1-CG 4.16Å; V556-E560 WeakPolarHBondContact CG1-OE1 3.43Å; V556-E560 WeakPolarHBondContact O-CB 3.43Å; V556-E560 WeakPolarHBondContact O-CG 3.44Å; V556-E560 PolarHBondContact O-N 3.37Å; K557-E560 PolarHBondContact O-N 3.25Å; E560-T564 WeakPolarHBondContact O-CB 3.44Å; E560-T564 PolarHBondContact O-N 2.65Å; E560-T564 PolarHBondContact O-OG1 3.05Å; E560-V573 HydrophobicContact CG-CB 4.45Å; E560-V573 HydrophobicContact CG-CG1 4.28Å
561	D	93.3	Very high	95.1	Very high	39 Å²	39	53.6 Å²	53.6	21%	0.209	26%	0.261	C	S	.	.	H	α-helix	trans	-61.2	-46.8	175.2	-92.6	7.7	0	0	0	111.9	K557 V559 K565	K557-D561 VanDerWaalsContact O-CB 3.25Å; K557-D561 WeakPolarHBondContact O-CB 3.36Å; K557-D561 PolarHBondContact O-N 3.18Å; V559-D561 VanDerWaalsContact C-N 3.32Å; V559-D561 PolarHBondContact O-N 3.09Å; D561-K565 HydrophobicContact CB-CD 4.48Å; D561-K565 WeakPolarHBondContact O-CB 3.41Å; D561-K565 WeakPolarHBondContact O-CD 3.44Å; D561-K565 WeakPolarHBondContact O-CG 3.28Å; D561-K565 PolarHBondContact O-N 3.23Å; D561-K565 IonicContact OD1-NZ 3.67Å; D561-K565 IonicContact OD2-NZ 3.61Å; D561-K565 PolarHBondContact OD2-NZ 2.97Å
562	E	93.5	Very high	95	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-61.4	-48.9	179.1	-175.9	72	-176.2	0	0	111	T168 C169 S172 I304 A558 V559 H566 Y567	T168-E562 PolarHBondContact OG1-OE1 3.16Å; C169-E562 PolarHBondContact SG-OE1 3.29Å; C169-E562 VanDerWaalsContact SG-OE1 3.39Å; S172-E562 VanDerWaalsContact CB-OE2 3.22Å; S172-E562 WeakPolarHBondContact CB-OE2 3.44Å; S172-E562 PolarHBondContact OG-OE2 2.93Å; I304-E562 HydrophobicContact CD1-CB 3.63Å; I304-E562 HydrophobicContact CD1-CG 3.66Å; A558-E562 WeakPolarHBondContact O-CB 3.34Å; A558-E562 PolarHBondContact O-N 2.67Å; V559-E562 PolarHBondContact O-N 2.97Å; E562-H566 WeakPolarHBondContact O-CB 3.45Å; E562-H566 PolarHBondContact O-N 3.31Å; E562-H566 VanDerWaalsContact O-N 3.11Å; E562-H566 IonicContact OE1-CD2 3.9Å; E562-H566 IonicContact OE2-CD2 2.74Å; E562-Y567 HydrophobicContact CG-CE2 4.3Å
563	V	94.6	Very high	95.1	Very high	8 Å²	8	51 Å²	51	5%	0.048	25%	0.252	C	S	.	.	H	α-helix	trans	-65.1	-47	-178.1	175.5	0	0	0	0	110.9	C297 V301 V559 K565 Y567 F571 V573	C297-V563 HydrophobicContact CB-CG2 4Å; V301-V563 HydrophobicContact CG2-CG2 3.7Å; V559-V563 HydrophobicContact CG1-CG2 4.47Å; V559-V563 WeakPolarHBondContact O-CG2 3.45Å; V559-V563 PolarHBondContact O-N 2.89Å; V563-K565 PolarHBondContact O-N 3.18Å; V563-Y567 WeakPolarHBondContact O-CB 3.25Å; V563-Y567 PolarHBondContact O-N 3.43Å; V563-F571 HydrophobicContact CG1-CB 3.76Å; V563-V573 HydrophobicContact CB-CG2 4.1Å; V563-V573 HydrophobicContact CG1-CG2 4.26Å; V563-V573 HydrophobicContact CG2-CG2 3.73Å
564	T	93.7	Very high	95	Very high	117 Å²	117	46.7 Å²	46.7	72%	0.718	22%	0.224	S	C	*	.	H	α-helix	trans	-67.7	-35.1	-176.9	-55.9	0	0	0	0	112.6	E560	E560-T564 WeakPolarHBondContact O-CB 3.44Å; E560-T564 PolarHBondContact O-N 2.65Å; E560-T564 PolarHBondContact O-OG1 3.05Å
565	K	91.7	Very high	95.1	Very high	111 Å²	111	49.4 Å²	49.4	48%	0.483	23%	0.234	S	C	.	.	H	α-helix	trans	-81.4	-33.5	-177	-69.8	168.9	-170.3	165.4	0	113	D561 V563	D561-K565 HydrophobicContact CB-CD 4.48Å; D561-K565 WeakPolarHBondContact O-CB 3.41Å; D561-K565 WeakPolarHBondContact O-CD 3.44Å; D561-K565 WeakPolarHBondContact O-CG 3.28Å; D561-K565 PolarHBondContact O-N 3.23Å; D561-K565 IonicContact OD1-NZ 3.67Å; D561-K565 IonicContact OD2-NZ 3.61Å; D561-K565 PolarHBondContact OD2-NZ 2.97Å; V563-K565 PolarHBondContact O-N 3.18Å
566	H	91.8	Very high	95.1	Very high	99 Å²	99	50.3 Å²	50.3	46%	0.458	24%	0.238	S	C	.	.	H	α-helix	trans	-116.4	-13.5	-166.1	-62.6	-56.1	0	0	0	115.1	E562	E562-H566 WeakPolarHBondContact O-CB 3.45Å; E562-H566 PolarHBondContact O-N 3.31Å; E562-H566 VanDerWaalsContact O-N 3.11Å; E562-H566 IonicContact OE1-CD2 3.9Å; E562-H566 IonicContact OE2-CD2 2.74Å
567	Y	95	Very high	95.1	Very high	29 Å²	29	52.2 Å²	52.2	11%	0.114	26%	0.26	C	S	.	.	S	Bend	trans	-123.8	168	-171.3	-65.1	-88.7	0	0	0	113.4	T293 C297 N300 E562 V563 F571	T293-Y567 PolarHBondContact O-OH 3.05Å; C297-Y567 HydrophobicContact CB-CD1 3.75Å; C297-Y567 HydrophobicContact CB-CD2 3.68Å; C297-Y567 HydrophobicContact CB-CE1 3.78Å; C297-Y567 HydrophobicContact CB-CE2 3.68Å; C297-Y567 HydrophobicContact CB-CG 3.7Å; N300-Y567 PolarHBondContact ND2-OH 3.33Å; E562-Y567 HydrophobicContact CG-CE2 4.3Å; V563-Y567 WeakPolarHBondContact O-CB 3.25Å; V563-Y567 PolarHBondContact O-N 3.43Å; Y567-F571 HydrophobicContact CD1-CE2 4.25Å
568	H	96.3	Very high	95.2	Very high	61 Å²	61	52.4 Å²	52.4	28%	0.282	26%	0.262	S	S	.	.			trans	-61	141.9	179.2	-167.6	-97.4	0	0	0	111.7	T496 D570 F571 W584	T496-H568 HydrophobicContact CG2-CB 3.88Å; H568-D570 IonicContact CE1-OD2 2.95Å; H568-D570 PolarHBondContact CE1-OD2 2.83Å; H568-D570 PolarHBondContact ND1-N 2.9Å; H568-D570 IonicContact ND1-OD2 3.64Å; H568-D570 PolarHBondContact ND1-OD2 3.3Å; H568-D570 PolarHBondContact O-N 3.35Å; H568-F571 HydrophobicContact CB-CD2 3.89Å; H568-F571 HydrophobicContact CB-CE2 4.02Å; H568-F571 WeakPolarHBondContact O-CB 3.41Å; H568-F571 VanDerWaalsContact O-CD2 3.31Å; H568-F571 WeakPolarHBondContact O-CD2 3.45Å; H568-F571 PolarHBondContact O-N 2.94Å; H568-W584 HydrophobicContact CB-CH2 4.43Å; H568-W584 HydrophobicContact CB-CZ3 4.13Å; H568-W584 AromaticContact CE1-CH2 3.97Å; H568-W584 AromaticContact ND1-CH2 3.35Å; H568-W584 VanDerWaalsContact ND1-CH2 3.35Å; H568-W584 WeakPolarHBondContact ND1-CH2 3.48Å; H568-W584 AromaticContact ND1-CZ3 3.66Å
569	R	96.1	Very high	95.3	Very high	198 Å²	198	52.4 Å²	52.4	75%	0.747	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-18	-175.5	67.4	178.7	-179.7	-131.3	-5.1	115.8
570	D	97.1	Very high	95.4	Very high	39 Å²	39	52.4 Å²	52.4	21%	0.209	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-4.7	-178.7	-61.5	-30.1	0	0	0	112.4	H568 W584 M585	H568-D570 IonicContact CE1-OD2 2.95Å; H568-D570 PolarHBondContact CE1-OD2 2.83Å; H568-D570 PolarHBondContact ND1-N 2.9Å; H568-D570 IonicContact ND1-OD2 3.64Å; H568-D570 PolarHBondContact ND1-OD2 3.3Å; H568-D570 PolarHBondContact O-N 3.35Å; D570-W584 HydrophobicContact CB-CD2 4.43Å; D570-W584 HydrophobicContact CB-CE3 4.1Å; D570-W584 HydrophobicContact CB-CH2 3.81Å; D570-W584 HydrophobicContact CB-CZ2 4.11Å; D570-W584 HydrophobicContact CB-CZ3 3.79Å; D570-M585 HydrophobicContact CB-CE 3.83Å; D570-M585 HydrophobicContact CB-CG 4.05Å; D570-M585 HydrophobicContact CB-SD 3.77Å; D570-M585 VanDerWaalsContact CG-SD 3.56Å; D570-M585 PolarHBondContact O-N 3.38Å; D570-M585 WeakPolarHBondContact OD2-CE 3.4Å
571	F	98	Very high	95.6	Very high	13 Å²	13	48.4 Å²	48.4	6%	0.057	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	141.1	158.8	-75.3	-74.3	0	0	0	109.4	A295 C296 C297 F298 M492 T496 V563 Y567 H568 G583 W584	A295-F571 WeakPolarHBondContact O-CE2 3.47Å; A295-F571 VanDerWaalsContact O-CZ 3.28Å; A295-F571 WeakPolarHBondContact O-CZ 3.44Å; C296-F571 HydrophobicContact CB-CZ 4.43Å; C297-F571 WeakPolarHBondContact SG-CD1 3.4Å; F298-F571 HydrophobicContact CD1-CE1 4.43Å; F298-F571 AromaticContact CE1-CD1 3.95Å; F298-F571 HydrophobicContact CE1-CD1 3.95Å; F298-F571 AromaticContact CE1-CE1 3.9Å; F298-F571 HydrophobicContact CE1-CE1 3.9Å; F298-F571 HydrophobicContact CZ-CE1 4.42Å; M492-F571 HydrophobicContact CG-CE1 3.87Å; M492-F571 HydrophobicContact CG-CZ 3.6Å; M492-F571 HydrophobicContact SD-CE1 3.38Å; M492-F571 WeakPolarHBondContact SD-CE1 3.21Å; M492-F571 HydrophobicContact SD-CZ 3.58Å; M492-F571 VanDerWaalsContact SD-CZ 3.58Å; T496-F571 HydrophobicContact CG2-CE2 3.72Å; T496-F571 HydrophobicContact CG2-CZ 4.12Å; V563-F571 HydrophobicContact CG1-CB 3.76Å; Y567-F571 HydrophobicContact CD1-CE2 4.25Å; H568-F571 HydrophobicContact CB-CD2 3.89Å; H568-F571 HydrophobicContact CB-CE2 4.02Å; H568-F571 WeakPolarHBondContact O-CB 3.41Å; H568-F571 VanDerWaalsContact O-CD2 3.31Å; H568-F571 WeakPolarHBondContact O-CD2 3.45Å; H568-F571 PolarHBondContact O-N 2.94Å; F571-G583 WeakPolarHBondContact CA-O 3.5Å; F571-W584 HydrophobicContact CD1-CE3 4.14Å; F571-W584 HydrophobicContact CD2-CE3 4.3Å; F571-W584 HydrophobicContact CD2-CZ3 4.03Å; F571-W584 HydrophobicContact CE1-CE3 4.18Å; F571-W584 HydrophobicContact CE2-CE3 4.34Å; F571-W584 AromaticContact CE2-CZ3 3.99Å; F571-W584 HydrophobicContact CE2-CZ3 3.99Å; F571-W584 HydrophobicContact CG-CE3 4.19Å; F571-W584 HydrophobicContact CG-CZ3 4.37Å; F571-W584 HydrophobicContact CZ-CE3 4.25Å; F571-W584 HydrophobicContact CZ-CZ3 4.27Å
572	M	94.9	Very high	95.8	Very high	25 Å²	25	46.5 Å²	46.5	12%	0.123	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	148.7	178.4	72.2	-169.4	-148.7	0	0	110.6	V79 Q582 G583 G586 R587 A588	V79-M572 HydrophobicContact CG1-CE 3.49Å; V79-M572 VanDerWaalsContact CG1-CE 3.49Å; V79-M572 HydrophobicContact CG1-SD 3.28Å; V79-M572 WeakPolarHBondContact CG1-SD 3.29Å; M572-Q582 VanDerWaalsContact O-CA 3.26Å; M572-Q582 WeakPolarHBondContact O-CA 2.81Å; M572-G583 PolarHBondContact N-O 3Å; M572-G583 PolarHBondContact O-N 2.93Å; M572-G586 WeakPolarHBondContact SD-CA 2.98Å; M572-G586 PolarHBondContact SD-N 3.49Å; M572-G586 VanDerWaalsContact SD-N 3.44Å; M572-R587 WeakPolarHBondContact CE-O 3.42Å; M572-A588 HydrophobicContact CE-CB 3.95Å
573	V	96.2	Very high	95.9	Very high	29 Å²	29	46.5 Å²	46.5	18%	0.176	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	125.6	168.2	179.4	0	0	0	0	105.4	V559 E560 V563 L580 L581	V559-V573 HydrophobicContact CG1-CB 4.4Å; V559-V573 HydrophobicContact CG1-CG1 3.74Å; V559-V573 HydrophobicContact CG1-CG2 3.76Å; E560-V573 HydrophobicContact CG-CB 4.45Å; E560-V573 HydrophobicContact CG-CG1 4.28Å; V563-V573 HydrophobicContact CB-CG2 4.1Å; V563-V573 HydrophobicContact CG1-CG2 4.26Å; V563-V573 HydrophobicContact CG2-CG2 3.73Å; V573-L580 HydrophobicContact CG1-CD1 3.58Å; V573-L580 HydrophobicContact CG1-CG 4.42Å; V573-L581 CarbonylContact C-O 3.4Å; V573-L581 WeakPolarHBondContact CA-O 3.45Å
574	C	95	Very high	96	Very high	15 Å²	15	46.2 Å²	46.2	10%	0.101	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	168.1	175.5	57.9	0	0	0	0	110.8	L581	C574-L581 PolarHBondContact N-O 3.15Å; C574-L581 PolarHBondContact O-N 2.92Å; C574-L581 VanDerWaalsContact SG-CB 3.59Å
575	Q	96.5	Very high	96	Very high	86 Å²	86	43.6 Å²	43.6	40%	0.402	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	135.9	178.6	-61	175.8	60.7	0	0	108.2	L551 W579	L551-Q575 HydrophobicContact CD2-CB 4.48Å; L551-Q575 HydrophobicContact CD2-CG 3.75Å; Q575-W579 WeakPolarHBondContact CA-O 3.49Å
576	D	96.6	Very high	96	Very high	21 Å²	21	38.7 Å²	38.7	11%	0.112	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	109.2	166.3	-178.4	5.1	0	0	0	107.8	Y534 R535 Q578 W579 L581	Y534-D576 HydrophobicContact CE2-CB 4.37Å; Y534-D576 PolarHBondContact OH-OD2 3.42Å; R535-D576 IonicContact CZ-OD2 2.83Å; R535-D576 IonicContact NE-OD2 3.97Å; R535-D576 IonicContact NH2-OD2 2.74Å; R535-D576 PolarHBondContact NH2-OD2 2.84Å; D576-Q578 PolarHBondContact O-N 3.44Å; D576-W579 PolarHBondContact N-O 3.5Å; D576-W579 VanDerWaalsContact N-O 3.08Å; D576-W579 WeakPolarHBondContact O-CB 3.37Å; D576-W579 PolarHBondContact O-N 3.37Å; D576-L581 HydrophobicContact CB-CD1 3.8Å; D576-L581 HydrophobicContact CB-CG 4.44Å
577	G	94.8	Very high	96	Very high	49 Å²	49	35.8 Å²	35.8	51%	0.505	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	-119.8	-167.6	0	0	0	0	0	111.6
578	Q	97.3	Very high	96.1	Very high	76 Å²	76	34.6 Å²	34.6	36%	0.355	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	19	176.8	-50.6	-56.7	-34.7	0	0	113	Q548 P550 D576	Q548-Q578 HydrophobicContact CG-CB 3.87Å; Q548-Q578 PolarHBondContact NE2-O 2.88Å; P550-Q578 VanDerWaalsContact CA-OE1 3.25Å; D576-Q578 PolarHBondContact O-N 3.44Å
579	W	98.5	Very high	96.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	133.3	171.7	-68.8	90.9	0	0	0	111.1	V466 Y534 W537 Q538 Q575 D576 L581 A591 H592 T593 W595	V466-W579 HydrophobicContact CG2-CH2 4.34Å; V466-W579 HydrophobicContact CG2-CZ3 3.98Å; Y534-W579 HydrophobicContact CD2-CB 4.29Å; Y534-W579 AromaticContact CD2-CD1 3.66Å; Y534-W579 AromaticContact CD2-CD2 3.75Å; Y534-W579 HydrophobicContact CD2-CD2 3.75Å; Y534-W579 AromaticContact CD2-CE2 3.8Å; Y534-W579 HydrophobicContact CD2-CE3 4.4Å; Y534-W579 AromaticContact CD2-CG 3.67Å; Y534-W579 HydrophobicContact CD2-CG 3.67Å; Y534-W579 HydrophobicContact CD2-CZ2 4.47Å; Y534-W579 AromaticContact CD2-NE1 3.73Å; Y534-W579 HydrophobicContact CE2-CG 4.23Å; Y534-W579 HydrophobicContact CG-CD2 4.23Å; Y534-W579 HydrophobicContact CG-CE3 4.44Å; Y534-W579 HydrophobicContact CG-CG 4.49Å; Y534-W579 VanDerWaalsContact O-CZ2 3.22Å; Y534-W579 WeakPolarHBondContact O-CZ2 3.38Å; W537-W579 HydrophobicContact CB-CH2 4.21Å; Q538-W579 HydrophobicContact CB-CZ2 4.04Å; Q575-W579 WeakPolarHBondContact CA-O 3.49Å; D576-W579 PolarHBondContact N-O 3.5Å; D576-W579 VanDerWaalsContact N-O 3.08Å; D576-W579 WeakPolarHBondContact O-CB 3.37Å; D576-W579 PolarHBondContact O-N 3.37Å; W579-L581 HydrophobicContact CB-CD2 4Å; W579-A591 HydrophobicContact CE3-CB 3.63Å; W579-A591 HydrophobicContact CZ3-CB 3.95Å; W579-H592 WeakPolarHBondContact CA-O 3.25Å; W579-T593 HydrophobicContact CD2-CG2 4.14Å; W579-T593 HydrophobicContact CE3-CG2 3.67Å; W579-T593 HydrophobicContact CH2-CG2 3.28Å; W579-T593 HydrophobicContact CZ2-CG2 3.76Å; W579-T593 HydrophobicContact CZ3-CG2 3.22Å; W579-W595 HydrophobicContact CZ2-CZ2 4.04Å
580	L	98.6	Very high	96.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	114.3	165.2	-178.7	74.9	0	0	0	108.4	V301 F305 L551 V556 V559 V573 A591 H592	V301-L580 HydrophobicContact CG1-CD2 4.21Å; F305-L580 HydrophobicContact CB-CD2 4.42Å; F305-L580 HydrophobicContact CD2-CB 4.4Å; F305-L580 HydrophobicContact CD2-CD2 3.8Å; F305-L580 HydrophobicContact CE2-CB 4.45Å; F305-L580 HydrophobicContact CG-CD2 4.45Å; L551-L580 HydrophobicContact CD1-CB 4.14Å; L551-L580 HydrophobicContact CD2-CB 3.98Å; L551-L580 HydrophobicContact CD2-CD1 4.26Å; V556-L580 HydrophobicContact CG2-CD1 4.44Å; V559-L580 HydrophobicContact CB-CD2 4.44Å; V559-L580 HydrophobicContact CG1-CD2 4.24Å; V559-L580 HydrophobicContact CG2-CD2 4Å; V573-L580 HydrophobicContact CG1-CD1 3.58Å; V573-L580 HydrophobicContact CG1-CG 4.42Å; L580-A591 CarbonylContact O-C 3.58Å; L580-A591 WeakPolarHBondContact O-CA 3.43Å; L580-H592 HydrophobicContact CB-CB 4.32Å; L580-H592 PolarHBondContact N-O 3Å; L580-H592 PolarHBondContact O-CD2 3.04Å; L580-H592 PolarHBondContact O-N 3.37Å
581	L	98.4	Very high	96.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	142.9	-179.5	-54.2	-176.1	0	0	0	110	L76 Y534 V573 C574 D576 W579 A588 A591	L76-L581 HydrophobicContact CD1-CD1 3.87Å; Y534-L581 HydrophobicContact CD1-CD2 4.04Å; Y534-L581 HydrophobicContact CD2-CD2 4.49Å; Y534-L581 HydrophobicContact CE1-CD1 4.32Å; Y534-L581 HydrophobicContact CE1-CD2 4.09Å; Y534-L581 HydrophobicContact CE2-CD2 4.49Å; Y534-L581 HydrophobicContact CG-CD2 4.27Å; V573-L581 CarbonylContact C-O 3.4Å; V573-L581 WeakPolarHBondContact CA-O 3.45Å; C574-L581 PolarHBondContact N-O 3.15Å; C574-L581 PolarHBondContact O-N 2.92Å; C574-L581 VanDerWaalsContact SG-CB 3.59Å; D576-L581 HydrophobicContact CB-CD1 3.8Å; D576-L581 HydrophobicContact CB-CG 4.44Å; W579-L581 HydrophobicContact CB-CD2 4Å; L581-A588 HydrophobicContact CB-CB 4.38Å; L581-A588 HydrophobicContact CD1-CB 4.28Å; L581-A591 HydrophobicContact CD2-CB 3.34Å
582	Q	96.1	Very high	96.3	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	154.1	169.1	62.5	177.4	-30.4	0	0	111.5	F298 V301 M572 L589 T590 H592	F298-Q582 VanDerWaalsContact CA-OE1 3.26Å; F298-Q582 VanDerWaalsContact CD1-CD 3.48Å; F298-Q582 HydrophobicContact CD1-CG 3.97Å; F298-Q582 HydrophobicContact CE1-CB 4.48Å; F298-Q582 HydrophobicContact CE1-CG 4.19Å; F298-Q582 PolarHBondContact O-NE2 3.44Å; V301-Q582 VanDerWaalsContact CB-OE1 3.29Å; M572-Q582 VanDerWaalsContact O-CA 3.26Å; M572-Q582 WeakPolarHBondContact O-CA 2.81Å; Q582-L589 PolarHBondContact O-N 3.38Å; Q582-T590 VanDerWaalsContact CD-OG1 3.24Å; Q582-T590 WeakPolarHBondContact CG-OG1 3.45Å; Q582-T590 PolarHBondContact N-O 3.32Å; Q582-T590 PolarHBondContact NE2-OG1 3.26Å; Q582-T590 PolarHBondContact O-N 3.08Å; Q582-T590 VanDerWaalsContact O-N 3.16Å; Q582-H592 PolarHBondContact NE2-NE2 3.23Å
583	G	96.1	Very high	96.4	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.9	-168.9	-169.8	0	0	0	0	0	115.2	F571 M572 R587	F571-G583 WeakPolarHBondContact CA-O 3.5Å; M572-G583 PolarHBondContact N-O 3Å; M572-G583 PolarHBondContact O-N 2.93Å; G583-R587 CarbonylContact C-O 3.28Å; G583-R587 WeakPolarHBondContact CA-O 3.32Å
584	W	97.5	Very high	96.6	Very high	2 Å²	2	18 Å²	18	1%	0.008	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	131.4	-177.1	177	-104	0	0	0	110.2	D491 M492 A495 T496 H568 D570 F571 G586 R587 L589	D491-W584 PolarHBondContact OD2-NE1 2.98Å; M492-W584 VanDerWaalsContact CA-CE2 3.48Å; M492-W584 HydrophobicContact CB-CD2 3.61Å; M492-W584 HydrophobicContact CB-CE3 3.96Å; M492-W584 HydrophobicContact CB-CG 3.85Å; M492-W584 HydrophobicContact CB-CZ2 4.31Å; M492-W584 HydrophobicContact CB-CZ3 4.41Å; M492-W584 HydrophobicContact CG-CD2 3.9Å; M492-W584 HydrophobicContact CG-CE3 3.7Å; M492-W584 HydrophobicContact CG-CG 4.38Å; M492-W584 HydrophobicContact CG-CZ3 4.04Å; A495-W584 HydrophobicContact CB-CH2 3.64Å; A495-W584 HydrophobicContact CB-CZ2 3.76Å; T496-W584 HydrophobicContact CG2-CH2 4.3Å; T496-W584 HydrophobicContact CG2-CZ3 4.22Å; H568-W584 HydrophobicContact CB-CH2 4.43Å; H568-W584 HydrophobicContact CB-CZ3 4.13Å; H568-W584 AromaticContact CE1-CH2 3.97Å; H568-W584 AromaticContact ND1-CH2 3.35Å; H568-W584 VanDerWaalsContact ND1-CH2 3.35Å; H568-W584 WeakPolarHBondContact ND1-CH2 3.48Å; H568-W584 AromaticContact ND1-CZ3 3.66Å; D570-W584 HydrophobicContact CB-CD2 4.43Å; D570-W584 HydrophobicContact CB-CE3 4.1Å; D570-W584 HydrophobicContact CB-CH2 3.81Å; D570-W584 HydrophobicContact CB-CZ2 4.11Å; D570-W584 HydrophobicContact CB-CZ3 3.79Å; F571-W584 HydrophobicContact CD1-CE3 4.14Å; F571-W584 HydrophobicContact CD2-CE3 4.3Å; F571-W584 HydrophobicContact CD2-CZ3 4.03Å; F571-W584 HydrophobicContact CE1-CE3 4.18Å; F571-W584 HydrophobicContact CE2-CE3 4.34Å; F571-W584 AromaticContact CE2-CZ3 3.99Å; F571-W584 HydrophobicContact CE2-CZ3 3.99Å; F571-W584 HydrophobicContact CG-CE3 4.19Å; F571-W584 HydrophobicContact CG-CZ3 4.37Å; F571-W584 HydrophobicContact CZ-CE3 4.25Å; F571-W584 HydrophobicContact CZ-CZ3 4.27Å; W584-G586 PolarHBondContact O-N 3.25Å; W584-G586 VanDerWaalsContact O-N 3.15Å; W584-R587 PolarHBondContact N-O 3.45Å; W584-R587 WeakPolarHBondContact O-CB 3.34Å; W584-R587 PolarHBondContact O-N 3.14Å; W584-L589 HydrophobicContact CB-CD1 4.18Å
585	M	93.5	Very high	96.7	Very high	62 Å²	62	17.2 Å²	17.2	31%	0.305	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	39.6	174.9	-70.2	-78.4	-165.6	0	0	113.8	D570	D570-M585 HydrophobicContact CB-CE 3.83Å; D570-M585 HydrophobicContact CB-CG 4.05Å; D570-M585 HydrophobicContact CB-SD 3.77Å; D570-M585 VanDerWaalsContact CG-SD 3.56Å; D570-M585 PolarHBondContact O-N 3.38Å; D570-M585 WeakPolarHBondContact OD2-CE 3.4Å
586	G	90.6	Very high	96.8	Very high	9 Å²	9	14.4 Å²	14.4	9%	0.093	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	90	-7.7	180	0	0	0	0	0	115.5	V79 Q80 M572 W584	V79-G586 CarbonylContact C-O 3.52Å; V79-G586 WeakPolarHBondContact CG1-O 3.46Å; V79-G586 CarbonylContact O-C 3.55Å; V79-G586 WeakPolarHBondContact O-CA 3.36Å; Q80-G586 VanDerWaalsContact CA-O 3.26Å; Q80-G586 WeakPolarHBondContact CA-O 3.37Å; Q80-G586 WeakPolarHBondContact CG-O 3.23Å; Q80-G586 PolarHBondContact N-O 3.43Å; M572-G586 WeakPolarHBondContact SD-CA 2.98Å; M572-G586 PolarHBondContact SD-N 3.49Å; M572-G586 VanDerWaalsContact SD-N 3.44Å; W584-G586 PolarHBondContact O-N 3.25Å; W584-G586 VanDerWaalsContact O-N 3.15Å
587	R	92.9	Very high	96.7	Very high	38 Å²	38	14 Å²	14	14%	0.143	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	120.6	-179.3	-174.2	178.3	-174.7	134.5	4.6	111.8	F484 M572 G583 W584 L589	F484-R587 PolarHBondContact O-NH1 2.96Å; M572-R587 WeakPolarHBondContact CE-O 3.42Å; G583-R587 CarbonylContact C-O 3.28Å; G583-R587 WeakPolarHBondContact CA-O 3.32Å; W584-R587 PolarHBondContact N-O 3.45Å; W584-R587 WeakPolarHBondContact O-CB 3.34Å; W584-R587 PolarHBondContact O-N 3.14Å; R587-L589 HydrophobicContact CG-CD2 4Å; R587-L589 PolarHBondContact O-N 3.2Å
588	A	96.1	Very high	96.1	Very high	3 Å²	3	14.8 Å²	14.8	3%	0.025	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	118.2	173.9	0	0	0	0	0	110.4	L76 N468 M572 L581	L76-A588 HydrophobicContact CD1-CB 4.27Å; N468-A588 PolarHBondContact ND2-O 3.16Å; M572-A588 HydrophobicContact CE-CB 3.95Å; L581-A588 HydrophobicContact CB-CB 4.38Å; L581-A588 HydrophobicContact CD1-CB 4.28Å
589	L	96.8	Very high	94.4	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	-30.5	-175.2	-66	179.8	0	0	0	112.6	F298 N468 Y485 A488 V489 Q582 W584 R587	F298-L589 HydrophobicContact CE2-CB 3.92Å; F298-L589 HydrophobicContact CE2-CD1 3.87Å; F298-L589 HydrophobicContact CZ-CB 4.06Å; F298-L589 HydrophobicContact CZ-CD1 3.83Å; F298-L589 HydrophobicContact CZ-CG 4.47Å; N468-L589 PolarHBondContact N-O 2.92Å; Y485-L589 HydrophobicContact CD2-CD2 3.68Å; Y485-L589 HydrophobicContact CE2-CB 4.23Å; Y485-L589 HydrophobicContact CE2-CD2 3.97Å; A488-L589 HydrophobicContact CB-CD1 4.11Å; A488-L589 HydrophobicContact CB-CD2 4.18Å; V489-L589 HydrophobicContact CG2-CD1 4.49Å; Q582-L589 PolarHBondContact O-N 3.38Å; W584-L589 HydrophobicContact CB-CD1 4.18Å; R587-L589 HydrophobicContact CG-CD2 4Å; R587-L589 PolarHBondContact O-N 3.2Å
590	T	97.6	Very high	94.2	Very high	5 Å²	5	21.3 Å²	21.3	3%	0.031	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	157.5	173.6	63	0	0	0	0	111	F298 F429 V466 Q582	F298-T590 HydrophobicContact CD2-CG2 4.29Å; F429-T590 HydrophobicContact CE1-CG2 3.78Å; F429-T590 HydrophobicContact CZ-CG2 4.12Å; V466-T590 VanDerWaalsContact O-CA 3.26Å; V466-T590 WeakPolarHBondContact O-CA 3.44Å; V466-T590 WeakPolarHBondContact O-CB 3.34Å; Q582-T590 VanDerWaalsContact CD-OG1 3.24Å; Q582-T590 WeakPolarHBondContact CG-OG1 3.45Å; Q582-T590 PolarHBondContact N-O 3.32Å; Q582-T590 PolarHBondContact NE2-OG1 3.26Å; Q582-T590 PolarHBondContact O-N 3.08Å; Q582-T590 VanDerWaalsContact O-N 3.16Å
591	A	98.6	Very high	94	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	145.3	-176.9	0	0	0	0	0	110.7	S465 V466 Y534 W579 L580 L581	S465-A591 CarbonylContact C-O 3.58Å; S465-A591 WeakPolarHBondContact CA-O 3.48Å; V466-A591 HydrophobicContact CG2-CB 3.88Å; V466-A591 PolarHBondContact N-O 2.9Å; V466-A591 PolarHBondContact O-N 3.49Å; Y534-A591 HydrophobicContact CD1-CB 4.21Å; Y534-A591 HydrophobicContact CG-CB 4Å; W579-A591 HydrophobicContact CE3-CB 3.63Å; W579-A591 HydrophobicContact CZ3-CB 3.95Å; L580-A591 CarbonylContact O-C 3.58Å; L580-A591 WeakPolarHBondContact O-CA 3.43Å; L581-A591 HydrophobicContact CD2-CB 3.34Å
592	H	98.8	Very high	93.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	141.2	-177.6	-48.8	-81.5	0	0	0	111.3	T302 F305 F429 Q464 S465 W579 L580 Q582	T302-H592 PolarHBondContact OG1-CE1 2.78Å; F305-H592 HydrophobicContact CD1-CB 3.63Å; F305-H592 HydrophobicContact CD2-CB 4.01Å; F305-H592 HydrophobicContact CE1-CB 3.76Å; F305-H592 HydrophobicContact CE2-CB 4.14Å; F305-H592 HydrophobicContact CG-CB 3.76Å; F305-H592 HydrophobicContact CZ-CB 4.03Å; F429-H592 AromaticContact CZ-CE1 3.9Å; Q464-H592 WeakPolarHBondContact O-CA 3.17Å; S465-H592 VanDerWaalsContact CB-ND1 3.33Å; S465-H592 WeakPolarHBondContact CB-ND1 3.17Å; S465-H592 PolarHBondContact OG-ND1 3.43Å; W579-H592 WeakPolarHBondContact CA-O 3.25Å; L580-H592 HydrophobicContact CB-CB 4.32Å; L580-H592 PolarHBondContact N-O 3Å; L580-H592 PolarHBondContact O-CD2 3.04Å; L580-H592 PolarHBondContact O-N 3.37Å; Q582-H592 PolarHBondContact NE2-NE2 3.23Å
593	T	98.7	Very high	93.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	161.7	-179.5	-177.4	0	0	0	0	110.8	F305 Q464 Q548 W579 W595	F305-T593 WeakPolarHBondContact CE1-O 3.29Å; F305-T593 VanDerWaalsContact CZ-C 3.46Å; Q464-T593 HydrophobicContact CB-CG2 3.88Å; Q464-T593 PolarHBondContact N-O 2.94Å; Q464-T593 PolarHBondContact O-N 3.38Å; Q548-T593 WeakPolarHBondContact CG-OG1 3.49Å; Q548-T593 PolarHBondContact NE2-OG1 2.95Å; W579-T593 HydrophobicContact CD2-CG2 4.14Å; W579-T593 HydrophobicContact CE3-CG2 3.67Å; W579-T593 HydrophobicContact CH2-CG2 3.28Å; W579-T593 HydrophobicContact CZ2-CG2 3.76Å; W579-T593 HydrophobicContact CZ3-CG2 3.22Å; T593-W595 HydrophobicContact CG2-CZ2 4.19Å
594	A	98.8	Very high	93.5	Very high	10 Å²	10	26.6 Å²	26.6	8%	0.083	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	148	172	0	0	0	0	0	109.9	F305 T309 V461 F462 L549	F305-A594 HydrophobicContact CZ-CB 4.37Å; T309-A594 HydrophobicContact CG2-CB 4.02Å; V461-A594 HydrophobicContact CG1-CB 3.95Å; F462-A594 CarbonylContact O-C 3.51Å; F462-A594 VanDerWaalsContact O-CA 3.31Å; F462-A594 WeakPolarHBondContact O-CA 3.33Å; L549-A594 HydrophobicContact CB-CB 4.23Å; L549-A594 HydrophobicContact CD1-CB 4.15Å; L549-A594 PolarHBondContact N-O 3.27Å
595	W	98.7	Very high	93.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	165.7	-175.2	-54.8	86.2	0	0	0	110.9	V461 F462 Q538 N541 R542 L546 R547 Q548 W579 T593	V461-W595 CarbonylContact C-O 3.53Å; V461-W595 WeakPolarHBondContact CA-O 2.91Å; F462-W595 HydrophobicContact CB-CB 4.2Å; F462-W595 HydrophobicContact CD1-CB 3.98Å; F462-W595 AromaticContact CD1-CD1 3.72Å; F462-W595 HydrophobicContact CD1-CG 4.06Å; F462-W595 PolarHBondContact N-O 2.9Å; F462-W595 PolarHBondContact O-N 3.43Å; Q538-W595 HydrophobicContact CB-CH2 4.47Å; Q538-W595 HydrophobicContact CG-CH2 3.94Å; N541-W595 HydrophobicContact CB-CD2 3.95Å; N541-W595 HydrophobicContact CB-CE3 3.81Å; N541-W595 HydrophobicContact CB-CH2 3.5Å; N541-W595 HydrophobicContact CB-CZ2 3.63Å; N541-W595 HydrophobicContact CB-CZ3 3.58Å; N541-W595 VanDerWaalsContact ND2-CE2 3.32Å; N541-W595 VanDerWaalsContact ND2-CZ2 3.28Å; N541-W595 WeakPolarHBondContact ND2-CZ2 3.47Å; N541-W595 PolarHBondContact ND2-NE1 3.11Å; R542-W595 HydrophobicContact CG-CZ3 4.21Å; L546-W595 HydrophobicContact CB-CB 4.25Å; L546-W595 HydrophobicContact CB-CD2 4.43Å; L546-W595 HydrophobicContact CB-CE3 3.97Å; L546-W595 WeakPolarHBondContact O-CZ3 3.19Å; R547-W595 VanDerWaalsContact C-CE3 3.44Å; R547-W595 CarbonylContact O-C 3.42Å; R547-W595 VanDerWaalsContact O-CA 3.28Å; R547-W595 WeakPolarHBondContact O-CA 3.5Å; Q548-W595 VanDerWaalsContact CA-CE3 3.42Å; Q548-W595 HydrophobicContact CB-CD2 4.25Å; Q548-W595 HydrophobicContact CB-CE3 3.74Å; Q548-W595 HydrophobicContact CB-CH2 3.95Å; Q548-W595 HydrophobicContact CB-CZ2 4.45Å; Q548-W595 HydrophobicContact CB-CZ3 3.58Å; Q548-W595 HydrophobicContact CG-CD2 4.24Å; Q548-W595 HydrophobicContact CG-CE3 4.2Å; Q548-W595 HydrophobicContact CG-CH2 4.03Å; Q548-W595 HydrophobicContact CG-CZ2 4.07Å; Q548-W595 HydrophobicContact CG-CZ3 4.11Å; W579-W595 HydrophobicContact CZ2-CZ2 4.04Å; T593-W595 HydrophobicContact CG2-CZ2 4.19Å
596	V	98	Very high	93.2	Very high	27 Å²	27	25.9 Å²	25.9	16%	0.164	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	152.5	169.1	64	0	0	0	0	108.9	L546 R547 L549	L546-V596 CarbonylContact C-O 3.51Å; L546-V596 WeakPolarHBondContact CA-O 3.49Å; R547-V596 HydrophobicContact CB-CG1 4.35Å; R547-V596 PolarHBondContact N-O 2.87Å; R547-V596 VanDerWaalsContact NH2-CG1 3.26Å; R547-V596 PolarHBondContact O-N 3.08Å; L549-V596 HydrophobicContact CD2-CB 4.23Å; L549-V596 HydrophobicContact CD2-CG1 3.87Å; L549-V596 HydrophobicContact CG-CB 4.4Å; L549-V596 HydrophobicContact CG-CG1 4.36Å
597	A	93.8	Very high	93.4	Very high	12 Å²	12	27.2 Å²	27.2	10%	0.099	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	127.2	172.8	0	0	0	0	0	110.2	R455 L546 I599	R455-A597 HydrophobicContact CG-CB 4.19Å; L546-A597 HydrophobicContact CD2-CB 4.38Å; A597-I599 PolarHBondContact O-N 3.36Å
598	D	82.2	Confident	93.4	Very high	65 Å²	65	26.3 Å²	26.3	35%	0.348	15%	0.145	S	C	.	.			trans	-70.1	127.6	167.4	-74.4	-29.9	0	0	0	109	R455 G545 R547	R455-D598 PolarHBondContact NH1-O 3.28Å; R455-D598 VanDerWaalsContact NH1-O 3.1Å; R455-D598 PolarHBondContact NH2-O 3.4Å; R455-D598 VanDerWaalsContact NH2-O 3.12Å; G545-D598 PolarHBondContact O-N 2.85Å; G545-D598 VanDerWaalsContact O-N 3.16Å; R547-D598 WeakPolarHBondContact CB-OD1 3.42Å; R547-D598 WeakPolarHBondContact CD-OD1 3.44Å; R547-D598 IonicContact NE-OD1 3.93Å; R547-D598 PolarHBondContact NE-OD1 3.32Å
599	I	62.7	Low	93.2	Very high	192 Å²	192	28.4 Å²	28.4	99%	0.985	16%	0.156	S	C	*	.			trans	-69.5	0	-177.3	-62.1	175.7	0	0	0	110.6	A597	A597-I599 PolarHBondContact O-N 3.36Å

Retrieved 599 of 599 residues in 304.2 ms (Link to these results)

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